| 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 | 40.4 | Very low | 48.1 | Very low | 254 Ų | 254 | 151.5 Ų | 151.5 | 100% | 1.251 | 84% | 0.835 | S | S | * | * | 0 | 91.8 | 0 | -86.8 | 163 | 162.6 | 0 | 0 | 106.6 | |||||
| 2 | S | 43.4 | Very low | 48.3 | Very low | 111 Ų | 111 | 147.5 Ų | 147.5 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | trans | -123.4 | 101.8 | -174.4 | 47.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 3 | D | 39 | Very low | 48.6 | Very low | 166 Ų | 166 | 148.4 Ų | 148.4 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | trans | -139.8 | 90 | 166.7 | -98.7 | -26 | 0 | 0 | 0 | 107.7 | ||||
| 4 | F | 48.2 | Very low | 48.2 | Very low | 205 Ų | 205 | 150.1 Ų | 150.1 | 90% | 0.899 | 83% | 0.829 | S | S | * | * | trans | -131.4 | 97.7 | 158.9 | -99.8 | -81.2 | 0 | 0 | 0 | 105.5 | ||||
| 5 | D | 49.1 | Very low | 48.2 | Very low | 160 Ų | 160 | 151.4 Ų | 151.4 | 86% | 0.856 | 83% | 0.834 | S | S | * | * | trans | -179.1 | 103.6 | 135.2 | -107.1 | -20.5 | 0 | 0 | 0 | 108.8 | ||||
| 6 | S | 55.4 | Low | 48.2 | Very low | 118 Ų | 118 | 150.1 Ų | 150.1 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | trans | -129.9 | 100.8 | 168.6 | -58.4 | 0 | 0 | 0 | 0 | 107.2 | P8 | S6-P8 WeakPolarHBondContact O-CD 3.24Š| ||
| 7 | N | 57 | Low | 48.2 | Very low | 112 Ų | 112 | 147.9 Ų | 147.9 | 60% | 0.599 | 82% | 0.82 | S | S | * | * | trans | -62.8 | 118.9 | 175.5 | 178.8 | 2.8 | 0 | 0 | 0 | 109.3 | F9 A10 | N7-F9 PolarHBondContact O-N 3.43Å; N7-F9 VanDerWaalsContact O-N 3.09Å; N7-F9 PolarHBondContact OD1-N 3.47Å; N7-A10 PolarHBondContact O-N 3.31Å | ||
| 8 | P | 52.3 | Low | 47.9 | Very low | 117 Ų | 117 | 149.7 Ų | 149.7 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 8.5 | -175.1 | 31.6 | -35.3 | 0 | 0 | 0 | 114.2 | S6 | S6-P8 WeakPolarHBondContact O-CD 3.24Š|
| 9 | F | 46.7 | Very low | 47.8 | Very low | 183 Ų | 183 | 152.2 Ų | 152.2 | 80% | 0.803 | 82% | 0.821 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | 11 | 175.8 | -62.2 | -75 | 0 | 0 | 0 | 114.1 | N7 D11 | N7-F9 PolarHBondContact O-N 3.43Å; N7-F9 VanDerWaalsContact O-N 3.09Å; N7-F9 PolarHBondContact OD1-N 3.47Å; F9-D11 PolarHBondContact O-N 3.47Å; F9-D11 VanDerWaalsContact O-N 3.15Å |
| 10 | A | 48.2 | Very low | 47.8 | Very low | 83 Ų | 83 | 150.3 Ų | 150.3 | 69% | 0.686 | 82% | 0.816 | S | S | * | * | trans | -83 | 86.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | N7 | N7-A10 PolarHBondContact O-N 3.31Š| ||
| 11 | D | 49.2 | Very low | 47.9 | Very low | 158 Ų | 158 | 148.9 Ų | 148.9 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | -84.7 | 139 | 161.8 | -109 | -34.8 | 0 | 0 | 0 | 110.2 | F9 | F9-D11 PolarHBondContact O-N 3.47Å; F9-D11 VanDerWaalsContact O-N 3.15Å | ||
| 12 | P | 50.3 | Low | 47.9 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | trans | -86 | 151.7 | 178.9 | 33 | -27.5 | 0 | 0 | 0 | 112 | ||||
| 13 | D | 52.8 | Low | 47.5 | Very low | 159 Ų | 159 | 141.7 Ų | 141.7 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | 61.2 | 82.4 | 164.3 | -73.1 | -37.2 | 0 | 0 | 0 | 118.5 | ||||
| 14 | L | 42.8 | Very low | 47.3 | Very low | 173 Ų | 173 | 137.7 Ų | 137.7 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -129.2 | 108.5 | 145.4 | -79.4 | 171.2 | 0 | 0 | 0 | 110.3 | N16 | L14-N16 PolarHBondContact O-N 3.11Š| ||
| 15 | N | 48.7 | Very low | 46.8 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | trans | -3.2 | 104 | 162.7 | -93.2 | -19.7 | 0 | 0 | 0 | 116.4 | ||||
| 16 | N | 48.3 | Very low | 46.1 | Very low | 131 Ų | 131 | 136.6 Ų | 136.6 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | -92.6 | 114.3 | 166.3 | -168.2 | -4.7 | 0 | 0 | 0 | 109.6 | L14 F18 | L14-N16 PolarHBondContact O-N 3.11Å; N16-F18 PolarHBondContact O-N 3.33Å | ||
| 17 | P | 47.7 | Very low | 45.2 | Very low | 112 Ų | 112 | 139.3 Ų | 139.3 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -80.1 | 9.9 | -171.7 | 31.2 | -33 | 0 | 0 | 0 | 114.6 | ||
| 18 | F | 42.4 | Very low | 44.5 | Very low | 180 Ų | 180 | 139.6 Ų | 139.6 | 79% | 0.789 | 81% | 0.807 | S | S | * | * | trans | -116.5 | 54.3 | -174.5 | -73.6 | -81.6 | 0 | 0 | 0 | 114.2 | N16 | N16-F18 PolarHBondContact O-N 3.33Š| ||
| 19 | K | 46.5 | Very low | 43.6 | Very low | 198 Ų | 198 | 141.5 Ų | 141.5 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | trans | -114.1 | 118.1 | 168.8 | -121.3 | -178.1 | -176.8 | 178.7 | 0 | 111.6 | ||||
| 20 | P | 47.3 | Very low | 43.3 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 146.4 | 173.5 | 30.1 | -31.3 | 0 | 0 | 0 | 111.6 | ||
| 21 | P | 51.3 | Low | 43.1 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 148.7 | 179.4 | 31 | -31.4 | 0 | 0 | 0 | 112.9 | ||
| 22 | P | 38.6 | Very low | 42.4 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -88 | 148.2 | 172.7 | 27.6 | -17.9 | 0 | 0 | 0 | 112.5 | ||
| 23 | G | 35.3 | Very low | 42 | Very low | 87 Ų | 87 | 139.7 Ų | 139.7 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | -81.2 | -179.1 | -163.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 24 | G | 34.8 | Very low | 41.2 | Very low | 81 Ų | 81 | 141.1 Ų | 141.1 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | -177.7 | 107.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 25 | V | 38.3 | Very low | 41.4 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | -74.8 | 144 | -179.1 | 177.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 26 | K | 33.9 | Very low | 41 | Very low | 207 Ų | 207 | 134.7 Ų | 134.7 | 90% | 0.9 | 79% | 0.794 | S | S | * | * | trans | -163.6 | 120.9 | 142.1 | -102 | 172 | -163.6 | -172.8 | 0 | 111.4 | ||||
| 27 | M | 36.6 | Very low | 40.4 | Very low | 174 Ų | 174 | 136.6 Ų | 136.6 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | trans | -75.8 | 158.3 | 162.1 | -92.2 | -164.5 | -96.9 | 0 | 0 | 109.5 | ||||
| 28 | P | 43 | Very low | 40 | Very low | 119 Ų | 119 | 140 Ų | 140 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | -154.8 | 169.7 | 56.6 | 39.6 | -17.1 | 0 | 0 | 0 | 119.2 | |||||
| 29 | N | 32.2 | Very low | 39.7 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | 129.8 | 120.4 | 127.1 | -144 | 30.1 | 0 | 0 | 0 | 114.8 | |||||
| 30 | V | 40.6 | Very low | 39.8 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 74% | 0.739 | 81% | 0.81 | S | S | * | * | trans | -97.8 | 149 | 174.3 | -153.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 31 | P | 44.8 | Very low | 39.4 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | -142.6 | 163.1 | 80.2 | 33.6 | -13 | 0 | 0 | 0 | 111.2 | |||||
| 32 | N | 34.5 | Very low | 39.1 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 74% | 0.743 | 81% | 0.811 | S | S | * | * | 179.5 | 161.2 | 54.1 | -165.9 | 4.1 | 0 | 0 | 0 | 109.3 | |||||
| 33 | T | 42.3 | Very low | 39.3 | Very low | 110 Ų | 110 | 143 Ų | 143 | 68% | 0.675 | 82% | 0.815 | S | S | * | * | trans | -42.7 | 144.3 | -178.1 | 50 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 34 | Q | 36.1 | Very low | 39.8 | Very low | 189 Ų | 189 | 146.7 Ų | 146.7 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | 175.4 | 157.8 | 120 | -94.5 | 179.8 | 24.7 | 0 | 0 | 112.9 | |||||
| 35 | P | 45.4 | Very low | 40.6 | Very low | 117 Ų | 117 | 147 Ų | 147 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -94 | 146 | -160.6 | 35.5 | -32.6 | 0 | 0 | 0 | 116.1 | ||||
| 36 | A | 40.5 | Very low | 41.6 | Very low | 90 Ų | 90 | 143.8 Ų | 143.8 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | trans | 41.1 | 127.8 | 147.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 37 | I | 36.2 | Very low | 42.6 | Very low | 170 Ų | 170 | 143.6 Ų | 143.6 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | -156.5 | 124.5 | 131.3 | -86.3 | 134 | 0 | 0 | 0 | 108.2 | ||||
| 38 | M | 38.9 | Very low | 43.7 | Very low | 185 Ų | 185 | 139.6 Ų | 139.6 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | trans | -79.5 | 142.1 | 173.6 | -68.9 | -167.5 | -87.6 | 0 | 0 | 111.4 | ||||
| 39 | K | 37.4 | Very low | 44.5 | Very low | 196 Ų | 196 | 140.9 Ų | 140.9 | 85% | 0.852 | 76% | 0.759 | S | S | * | * | trans | -129.7 | 125 | 153.3 | -98.2 | -174.9 | 175.8 | -178.7 | 0 | 108.7 | ||||
| 40 | P | 48.5 | Very low | 46.1 | Very low | 120 Ų | 120 | 138 Ų | 138 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | trans | -87.5 | 129.7 | 177.9 | 32.1 | -28.4 | 0 | 0 | 0 | 110.2 | ||||
| 41 | T | 37.6 | Very low | 47.4 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | trans | -154.6 | 108.1 | 160.2 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 42 | E | 45.8 | Very low | 48.8 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | trans | 34.2 | 115.6 | 148 | -69.8 | 176.7 | 138.4 | 0 | 0 | 121.6 | ||||
| 43 | E | 42.9 | Very low | 50.6 | Low | 197 Ų | 197 | 136.6 Ų | 136.6 | 92% | 0.921 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 129.7 | 155.9 | -67.3 | -174.5 | 151.7 | 0 | 0 | 110.6 | ||
| 44 | H | 44.8 | Very low | 52.1 | Low | 165 Ų | 165 | 137.3 Ų | 137.3 | 76% | 0.764 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 141.1 | 166.1 | -71.2 | -61.4 | 0 | 0 | 0 | 110.7 | A46 | H44-A46 PolarHBondContact O-N 3.17Š|
| 45 | P | 53.2 | Low | 54.1 | Low | 87 Ų | 87 | 131 Ų | 131 | 57% | 0.565 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 116.2 | -172.8 | 31.5 | -30.1 | 0 | 0 | 0 | 112 | Y47 T48 | P45-Y47 PolarHBondContact O-N 2.92Å; P45-Y47 VanDerWaalsContact O-N 3.11Å; P45-T48 PolarHBondContact O-N 3.4Å |
| 46 | A | 57.8 | Low | 55.8 | Low | 69 Ų | 69 | 131 Ų | 131 | 57% | 0.57 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -59.6 | -19.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | H44 T48 Q49 | H44-A46 PolarHBondContact O-N 3.17Å; A46-T48 PolarHBondContact O-N 2.94Å; A46-Q49 PolarHBondContact O-N 2.88Å |
| 47 | Y | 56 | Low | 57.8 | Low | 203 Ų | 203 | 129 Ų | 129 | 80% | 0.796 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -70.1 | -29.8 | -178.9 | -138.8 | -91.8 | 0 | 0 | 0 | 113.2 | P45 Q49 A51 | P45-Y47 PolarHBondContact O-N 2.92Å; P45-Y47 VanDerWaalsContact O-N 3.11Å; Y47-Q49 VanDerWaalsContact C-N 3.34Å; Y47-A51 PolarHBondContact O-N 2.95Å |
| 48 | T | 58.9 | Low | 59.9 | Low | 90 Ų | 90 | 127.1 Ų | 127.1 | 55% | 0.552 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -76.1 | -24.6 | -179.1 | -40 | 0 | 0 | 0 | 0 | 112 | P45 A46 K52 | P45-T48 PolarHBondContact O-N 3.4Å; A46-T48 PolarHBondContact O-N 2.94Å; T48-K52 PolarHBondContact O-N 3.36Å |
| 49 | Q | 60.7 | Low | 62.1 | Low | 145 Ų | 145 | 120.8 Ų | 120.8 | 68% | 0.678 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -72.8 | -45.5 | 175.9 | -79.9 | 178.3 | -33.9 | 0 | 0 | 111.9 | A46 Y47 A51 K52 E53 | A46-Q49 PolarHBondContact O-N 2.88Å; Y47-Q49 VanDerWaalsContact C-N 3.34Å; Q49-A51 PolarHBondContact O-N 3.46Å; Q49-K52 WeakPolarHBondContact O-CB 3.43Å; Q49-K52 PolarHBondContact O-N 3.01Å; Q49-K52 VanDerWaalsContact O-N 3.17Å; Q49-E53 PolarHBondContact O-N 3.28Å |
| 50 | I | 64.8 | Low | 64.5 | Low | 97 Ų | 97 | 116.6 Ų | 116.6 | 50% | 0.497 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.6 | -40.7 | -179.5 | -59.8 | 171.3 | 0 | 0 | 0 | 111.4 | K52 E53 H54 | I50-K52 VanDerWaalsContact C-N 3.33Å; I50-K52 PolarHBondContact O-N 3.32Å; I50-E53 PolarHBondContact O-N 2.88Å; I50-H54 PolarHBondContact O-N 3.28Å |
| 51 | A | 68.4 | Low | 66.2 | Low | 62 Ų | 62 | 116.3 Ų | 116.3 | 51% | 0.512 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.3 | -36 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y47 Q49 A55 | Y47-A51 PolarHBondContact O-N 2.95Å; Q49-A51 PolarHBondContact O-N 3.46Å; A51-A55 WeakPolarHBondContact O-CB 3.44Å; A51-A55 PolarHBondContact O-N 3.17Å |
| 52 | K | 73.6 | Confident | 68.6 | Low | 150 Ų | 150 | 116.3 Ų | 116.3 | 65% | 0.652 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.5 | -39.8 | 175.4 | -128.3 | 174.3 | -177.7 | 177.7 | 0 | 111.4 | T48 Q49 I50 A55 L56 | T48-K52 PolarHBondContact O-N 3.36Å; Q49-K52 WeakPolarHBondContact O-CB 3.43Å; Q49-K52 PolarHBondContact O-N 3.01Å; Q49-K52 VanDerWaalsContact O-N 3.17Å; I50-K52 VanDerWaalsContact C-N 3.33Å; I50-K52 PolarHBondContact O-N 3.32Å; K52-A55 PolarHBondContact O-N 3.43Å; K52-L56 WeakPolarHBondContact O-CB 3.39Å; K52-L56 VanDerWaalsContact O-CG 3.24Å; K52-L56 WeakPolarHBondContact O-CG 3.34Å; K52-L56 PolarHBondContact O-N 3.43Å |
| 53 | E | 73.1 | Confident | 70.8 | Confident | 138 Ų | 138 | 116 Ų | 116 | 65% | 0.645 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.1 | -42.3 | 178.3 | -146.2 | 173.7 | -169.2 | 0 | 0 | 111.5 | Q49 I50 L56 A57 | Q49-E53 PolarHBondContact O-N 3.28Å; I50-E53 PolarHBondContact O-N 2.88Å; E53-L56 PolarHBondContact O-N 3Å; E53-A57 WeakPolarHBondContact O-CB 3.44Å; E53-A57 PolarHBondContact O-N 3.32Å |
| 54 | H | 73.7 | Confident | 72.9 | Confident | 125 Ų | 125 | 113.6 Ų | 113.6 | 58% | 0.579 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.6 | -39.1 | 172.6 | -102.1 | -92 | 0 | 0 | 0 | 113.1 | I50 A57 Q58 | I50-H54 PolarHBondContact O-N 3.28Å; H54-A57 PolarHBondContact O-N 3.32Å; H54-Q58 PolarHBondContact O-N 2.93Å |
| 55 | A | 77.7 | Confident | 74.9 | Confident | 55 Ų | 55 | 110.8 Ų | 110.8 | 46% | 0.455 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.6 | -37.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A51 K52 A59 | A51-A55 WeakPolarHBondContact O-CB 3.44Å; A51-A55 PolarHBondContact O-N 3.17Å; K52-A55 PolarHBondContact O-N 3.43Å; A55-A59 WeakPolarHBondContact O-CB 3.33Å; A55-A59 PolarHBondContact O-N 3.4Å |
| 56 | L | 82 | Confident | 76.7 | Confident | 119 Ų | 119 | 113.2 Ų | 113.2 | 62% | 0.623 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67 | -41.5 | 173.6 | -74.4 | 167.5 | 0 | 0 | 0 | 111.7 | K52 E53 A59 E60 | K52-L56 WeakPolarHBondContact O-CB 3.39Å; K52-L56 VanDerWaalsContact O-CG 3.24Å; K52-L56 WeakPolarHBondContact O-CG 3.34Å; K52-L56 PolarHBondContact O-N 3.43Å; E53-L56 PolarHBondContact O-N 3Å; L56-A59 PolarHBondContact O-N 3.15Å; L56-E60 PolarHBondContact O-N 2.71Å |
| 57 | A | 81.6 | Confident | 78.2 | Confident | 46 Ų | 46 | 114.7 Ų | 114.7 | 38% | 0.38 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.6 | -40.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E53 H54 E60 L61 | E53-A57 WeakPolarHBondContact O-CB 3.44Å; E53-A57 PolarHBondContact O-N 3.32Å; H54-A57 PolarHBondContact O-N 3.32Å; A57-E60 PolarHBondContact O-N 3Å; A57-L61 WeakPolarHBondContact O-CG 3.34Å; A57-L61 PolarHBondContact O-N 2.99Å |
| 58 | Q | 80.3 | Confident | 79.6 | Confident | 131 Ų | 131 | 110.1 Ų | 110.1 | 61% | 0.612 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.8 | -40.3 | 173.1 | -81.1 | -175.3 | -15.8 | 0 | 0 | 112.2 | H54 E60 L61 L62 | H54-Q58 PolarHBondContact O-N 2.93Å; Q58-E60 VanDerWaalsContact C-N 3.35Å; Q58-L61 PolarHBondContact O-N 3.5Å; Q58-L62 PolarHBondContact O-N 3.31Å |
| 59 | A | 86 | Confident | 81.1 | Confident | 52 Ų | 52 | 111.7 Ų | 111.7 | 43% | 0.43 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.5 | -35.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A55 L56 K63 | A55-A59 WeakPolarHBondContact O-CB 3.33Å; A55-A59 PolarHBondContact O-N 3.4Å; L56-A59 PolarHBondContact O-N 3.15Å; A59-K63 PolarHBondContact O-N 3.12Å; A59-K63 VanDerWaalsContact O-N 3.12Å |
| 60 | E | 87.8 | Confident | 82.6 | Confident | 108 Ų | 108 | 114.4 Ų | 114.4 | 51% | 0.505 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.6 | -40.8 | 175.3 | -169.2 | -179.9 | 160.2 | 0 | 0 | 112 | L56 A57 Q58 K63 R64 | L56-E60 PolarHBondContact O-N 2.71Å; A57-E60 PolarHBondContact O-N 3Å; Q58-E60 VanDerWaalsContact C-N 3.35Å; E60-K63 PolarHBondContact O-N 3.46Å; E60-R64 PolarHBondContact O-N 2.98Å; E60-R64 IonicContact OE1-CZ 3.13Å; E60-R64 IonicContact OE1-NE 3.97Å; E60-R64 IonicContact OE1-NH2 3.83Å; E60-R64 PolarHBondContact OE1-NH2 3.21Å |
| 61 | L | 83.9 | Confident | 83.8 | Confident | 115 Ų | 115 | 115.3 Ų | 115.3 | 60% | 0.602 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.7 | -43.4 | 175.7 | -72.4 | 173.3 | 0 | 0 | 0 | 112.2 | A57 Q58 K63 R64 Q65 | A57-L61 WeakPolarHBondContact O-CG 3.34Å; A57-L61 PolarHBondContact O-N 2.99Å; Q58-L61 PolarHBondContact O-N 3.5Å; L61-K63 VanDerWaalsContact C-N 3.33Å; L61-K63 PolarHBondContact O-N 2.92Å; L61-R64 PolarHBondContact O-N 3.44Å; L61-Q65 PolarHBondContact O-N 3.46Å |
| 62 | L | 88 | Confident | 84.7 | Confident | 127 Ų | 127 | 115.1 Ų | 115.1 | 67% | 0.665 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.5 | -41.6 | 174.8 | -83.7 | 161.6 | 0 | 0 | 0 | 111.8 | Q58 R64 Q65 E66 | Q58-L62 PolarHBondContact O-N 3.31Å; L62-R64 PolarHBondContact O-N 3.22Å; L62-Q65 WeakPolarHBondContact O-CB 3.49Å; L62-Q65 PolarHBondContact O-N 3.09Å; L62-E66 PolarHBondContact O-N 2.99Å |
| 63 | K | 90.9 | Very high | 85.3 | Confident | 156 Ų | 156 | 110.9 Ų | 110.9 | 68% | 0.678 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.7 | -41.7 | 173.6 | -97.6 | -176.4 | 174.7 | 178.4 | 0 | 113 | A59 E60 L61 E66 E67 | A59-K63 PolarHBondContact O-N 3.12Å; A59-K63 VanDerWaalsContact O-N 3.12Å; E60-K63 PolarHBondContact O-N 3.46Å; L61-K63 VanDerWaalsContact C-N 3.33Å; L61-K63 PolarHBondContact O-N 2.92Å; K63-E66 PolarHBondContact O-N 3.05Å; K63-E67 WeakPolarHBondContact O-CB 3.44Å; K63-E67 PolarHBondContact O-N 3.44Å |
| 64 | R | 87.6 | Confident | 86 | Confident | 145 Ų | 145 | 107.8 Ų | 107.8 | 55% | 0.547 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.4 | -37.8 | 176.1 | -77.3 | -167.2 | -170.9 | 178.1 | 9 | 112.4 | E60 L61 L62 E67 L68 | E60-R64 PolarHBondContact O-N 2.98Å; E60-R64 IonicContact OE1-CZ 3.13Å; E60-R64 IonicContact OE1-NE 3.97Å; E60-R64 IonicContact OE1-NH2 3.83Å; E60-R64 PolarHBondContact OE1-NH2 3.21Å; L61-R64 PolarHBondContact O-N 3.44Å; L62-R64 PolarHBondContact O-N 3.22Å; R64-E67 PolarHBondContact O-N 3.49Å; R64-L68 WeakPolarHBondContact O-CB 3.37Å; R64-L68 VanDerWaalsContact O-CG 3.29Å; R64-L68 WeakPolarHBondContact O-CG 3.39Å; R64-L68 PolarHBondContact O-N 3.47Å |
| 65 | Q | 86.4 | Confident | 86.4 | Confident | 106 Ų | 106 | 107.5 Ų | 107.5 | 50% | 0.495 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61 | -46.9 | 176.1 | -170 | 68.6 | 27.6 | 0 | 0 | 110.7 | L61 L62 E67 L68 E69 | L61-Q65 PolarHBondContact O-N 3.46Å; L62-Q65 WeakPolarHBondContact O-CB 3.49Å; L62-Q65 PolarHBondContact O-N 3.09Å; Q65-E67 VanDerWaalsContact C-N 3.34Å; Q65-E67 PolarHBondContact O-N 3.21Å; Q65-L68 PolarHBondContact O-N 3.44Å; Q65-E69 PolarHBondContact O-N 2.99Å |
| 66 | E | 90.9 | Very high | 86.9 | Confident | 138 Ų | 138 | 107.9 Ų | 107.9 | 65% | 0.645 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.4 | -39.1 | 176.6 | -169.3 | -179.7 | -178.7 | 0 | 0 | 112 | L62 K63 R70 | L62-E66 PolarHBondContact O-N 2.99Å; K63-E66 PolarHBondContact O-N 3.05Å; E66-R70 WeakPolarHBondContact O-CB 3.4Å; E66-R70 PolarHBondContact O-N 2.94Å |
| 67 | E | 89.2 | Confident | 87.1 | Confident | 101 Ų | 101 | 108 Ų | 108 | 47% | 0.472 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.6 | -37.7 | 176.2 | -159.4 | -170.3 | 152.5 | 0 | 0 | 112.5 | K63 R64 Q65 R70 K71 | K63-E67 WeakPolarHBondContact O-CB 3.44Å; K63-E67 PolarHBondContact O-N 3.44Å; R64-E67 PolarHBondContact O-N 3.49Å; Q65-E67 VanDerWaalsContact C-N 3.34Å; Q65-E67 PolarHBondContact O-N 3.21Å; E67-R70 PolarHBondContact O-N 3.46Å; E67-K71 WeakPolarHBondContact O-CG 3.49Å; E67-K71 PolarHBondContact O-N 3.06Å; E67-K71 WeakPolarHBondContact OE1-CE 3.42Å; E67-K71 IonicContact OE1-NZ 3.98Å; E67-K71 PolarHBondContact OE1-NZ 3.31Å |
| 68 | L | 86.5 | Confident | 87.1 | Confident | 106 Ų | 106 | 113.2 Ų | 113.2 | 56% | 0.555 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.6 | -45 | 175.6 | -77.6 | 170 | 0 | 0 | 0 | 111.4 | R64 Q65 R70 K71 A72 | R64-L68 WeakPolarHBondContact O-CB 3.37Å; R64-L68 VanDerWaalsContact O-CG 3.29Å; R64-L68 WeakPolarHBondContact O-CG 3.39Å; R64-L68 PolarHBondContact O-N 3.47Å; Q65-L68 PolarHBondContact O-N 3.44Å; L68-R70 VanDerWaalsContact C-N 3.3Å; L68-R70 PolarHBondContact O-N 3.33Å; L68-K71 PolarHBondContact O-N 3.28Å; L68-A72 WeakPolarHBondContact O-CB 3.29Å; L68-A72 PolarHBondContact O-N 2.73Å |
| 69 | E | 90.2 | Very high | 87.2 | Confident | 123 Ų | 123 | 113.1 Ų | 113.1 | 58% | 0.575 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.9 | -39.9 | 175.9 | -77.2 | -177.8 | 176.8 | 0 | 0 | 111.5 | Q65 K71 A72 A73 | Q65-E69 PolarHBondContact O-N 2.99Å; E69-K71 PolarHBondContact O-N 2.88Å; E69-A72 PolarHBondContact O-N 2.75Å; E69-A73 WeakPolarHBondContact O-CB 3.46Å; E69-A73 PolarHBondContact O-N 2.93Å |
| 70 | R | 91.4 | Very high | 86.8 | Confident | 203 Ų | 203 | 117.7 Ų | 117.7 | 77% | 0.766 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.7 | -41.1 | 174.9 | -168 | 176.2 | 178.7 | -178.8 | 0.3 | 112.3 | E66 E67 L68 E74 | E66-R70 WeakPolarHBondContact O-CB 3.4Å; E66-R70 PolarHBondContact O-N 2.94Å; E67-R70 PolarHBondContact O-N 3.46Å; L68-R70 VanDerWaalsContact C-N 3.3Å; L68-R70 PolarHBondContact O-N 3.33Å; R70-E74 WeakPolarHBondContact O-CB 3.4Å; R70-E74 PolarHBondContact O-N 3.44Å; R70-E74 VanDerWaalsContact O-N 3.08Å |
| 71 | K | 90.6 | Very high | 86.3 | Confident | 116 Ų | 116 | 116.8 Ų | 116.8 | 50% | 0.504 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.2 | -38.3 | 175.4 | -77 | 176.1 | -173.8 | 161.5 | 0 | 112.1 | E67 L68 E69 E74 L75 | E67-K71 WeakPolarHBondContact O-CG 3.49Å; E67-K71 PolarHBondContact O-N 3.06Å; E67-K71 WeakPolarHBondContact OE1-CE 3.42Å; E67-K71 IonicContact OE1-NZ 3.98Å; E67-K71 PolarHBondContact OE1-NZ 3.31Å; L68-K71 PolarHBondContact O-N 3.28Å; E69-K71 PolarHBondContact O-N 2.88Å; K71-E74 PolarHBondContact O-N 2.9Å; K71-L75 WeakPolarHBondContact O-CB 3.45Å; K71-L75 PolarHBondContact O-N 3.43Å |
| 72 | A | 86.6 | Confident | 85.3 | Confident | 57 Ų | 57 | 117.7 Ų | 117.7 | 47% | 0.471 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L68 E69 L75 D76 | L68-A72 WeakPolarHBondContact O-CB 3.29Å; L68-A72 PolarHBondContact O-N 2.73Å; E69-A72 PolarHBondContact O-N 2.75Å; A72-L75 PolarHBondContact O-N 3.08Å; A72-D76 WeakPolarHBondContact O-CB 3.46Å; A72-D76 PolarHBondContact O-N 3.47Å |
| 73 | A | 86.9 | Confident | 84.3 | Confident | 62 Ų | 62 | 117.7 Ų | 117.7 | 51% | 0.512 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.8 | -37.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E69 R77 | E69-A73 WeakPolarHBondContact O-CB 3.46Å; E69-A73 PolarHBondContact O-N 2.93Å; A73-R77 WeakPolarHBondContact O-CB 3.45Å; A73-R77 PolarHBondContact O-N 2.91Å |
| 74 | E | 87.4 | Confident | 83.1 | Confident | 73 Ų | 73 | 114.3 Ų | 114.3 | 34% | 0.341 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.9 | -37.7 | 175.5 | -171.6 | 68.2 | -163.6 | 0 | 0 | 111.9 | R70 K71 R77 R78 | R70-E74 WeakPolarHBondContact O-CB 3.4Å; R70-E74 PolarHBondContact O-N 3.44Å; R70-E74 VanDerWaalsContact O-N 3.08Å; K71-E74 PolarHBondContact O-N 2.9Å; E74-R77 PolarHBondContact O-N 3.35Å; E74-R77 IonicContact OE1-CZ 2.71Å; E74-R77 IonicContact OE1-NH1 3.98Å; E74-R77 PolarHBondContact OE1-NH1 3.21Å; E74-R77 IonicContact OE1-NH2 3.89Å; E74-R77 PolarHBondContact OE1-NH2 3.48Å; E74-R77 IonicContact OE2-CZ 3.28Å; E74-R77 IonicContact OE2-NH1 2.73Å; E74-R77 PolarHBondContact OE2-NH1 3.38Å; E74-R77 IonicContact OE2-NH2 3.36Å; E74-R78 WeakPolarHBondContact O-CB 3.28Å; E74-R78 PolarHBondContact O-N 2.92Å |
| 75 | L | 83.4 | Confident | 81.9 | Confident | 118 Ų | 118 | 113.7 Ų | 113.7 | 62% | 0.618 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.5 | -47.8 | 172.2 | -93.2 | 163.4 | 0 | 0 | 0 | 111.3 | K71 A72 R77 R78 E79 | K71-L75 WeakPolarHBondContact O-CB 3.45Å; K71-L75 PolarHBondContact O-N 3.43Å; A72-L75 PolarHBondContact O-N 3.08Å; L75-R77 VanDerWaalsContact C-N 3.33Å; L75-R77 PolarHBondContact O-N 3.32Å; L75-R78 CarbonylContact O-C 3.57Å; L75-R78 PolarHBondContact O-N 2.9Å; L75-E79 VanDerWaalsContact O-CB 3.31Å; L75-E79 WeakPolarHBondContact O-CB 3.26Å; L75-E79 PolarHBondContact O-N 3.45Å |
| 76 | D | 86.9 | Confident | 80.5 | Confident | 64 Ų | 64 | 111.5 Ų | 111.5 | 34% | 0.342 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.9 | -37.5 | 177.3 | -177.3 | 41.4 | 0 | 0 | 0 | 111.4 | A72 E79 R80 | A72-D76 WeakPolarHBondContact O-CB 3.46Å; A72-D76 PolarHBondContact O-N 3.47Å; D76-E79 PolarHBondContact O-N 2.61Å; D76-R80 WeakPolarHBondContact O-CB 3.46Å; D76-R80 VanDerWaalsContact O-CG 3.22Å; D76-R80 WeakPolarHBondContact O-CG 3.42Å; D76-R80 PolarHBondContact O-N 2.86Å; D76-R80 IonicContact OD1-CZ 2.93Å; D76-R80 IonicContact OD1-NE 3.84Å; D76-R80 PolarHBondContact OD1-NE 2.9Å; D76-R80 IonicContact OD1-NH2 3.98Å; D76-R80 IonicContact OD2-CZ 3.47Å; D76-R80 IonicContact OD2-NE 3.12Å; D76-R80 PolarHBondContact OD2-NE 2.83Å; D76-R80 VanDerWaalsContact OD2-NE 3.13Å; D76-R80 IonicContact OD2-NH2 3.27Å; D76-R80 PolarHBondContact OD2-NH2 3.32Å |
| 77 | R | 87.1 | Confident | 78.7 | Confident | 122 Ų | 122 | 112 Ų | 112 | 46% | 0.46 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63 | -46.9 | 172.2 | -161.8 | -177.2 | 86.2 | -127.7 | -11.1 | 111.5 | A73 E74 L75 E79 R80 E81 | A73-R77 WeakPolarHBondContact O-CB 3.45Å; A73-R77 PolarHBondContact O-N 2.91Å; E74-R77 PolarHBondContact O-N 3.35Å; E74-R77 IonicContact OE1-CZ 2.71Å; E74-R77 IonicContact OE1-NH1 3.98Å; E74-R77 PolarHBondContact OE1-NH1 3.21Å; E74-R77 IonicContact OE1-NH2 3.89Å; E74-R77 PolarHBondContact OE1-NH2 3.48Å; E74-R77 IonicContact OE2-CZ 3.28Å; E74-R77 IonicContact OE2-NH1 2.73Å; E74-R77 PolarHBondContact OE2-NH1 3.38Å; E74-R77 IonicContact OE2-NH2 3.36Å; L75-R77 VanDerWaalsContact C-N 3.33Å; L75-R77 PolarHBondContact O-N 3.32Å; R77-E79 VanDerWaalsContact C-N 3.32Å; R77-E79 PolarHBondContact O-N 2.81Å; R77-R80 PolarHBondContact O-N 3.36Å; R77-E81 IonicContact CZ-OE1 3.41Å; R77-E81 IonicContact NE-OE1 2.75Å; R77-E81 PolarHBondContact NE-OE1 2.82Å; R77-E81 IonicContact NH2-OE1 3.55Å; R77-E81 WeakPolarHBondContact O-CB 3.34Å; R77-E81 VanDerWaalsContact O-CG 3.28Å; R77-E81 WeakPolarHBondContact O-CG 3.31Å; R77-E81 PolarHBondContact O-N 3.38Å |
| 78 | R | 81.8 | Confident | 76.7 | Confident | 155 Ų | 155 | 113.9 Ų | 113.9 | 59% | 0.585 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63 | -38.7 | 175.9 | -84.7 | -169.4 | 178.9 | 170.4 | 1.3 | 112.4 | E74 L75 E81 M82 | E74-R78 WeakPolarHBondContact O-CB 3.28Å; E74-R78 PolarHBondContact O-N 2.92Å; L75-R78 CarbonylContact O-C 3.57Å; L75-R78 PolarHBondContact O-N 2.9Å; R78-E81 PolarHBondContact O-N 2.64Å; R78-M82 VanDerWaalsContact O-CB 3.26Å; R78-M82 WeakPolarHBondContact O-CB 3.4Å; R78-M82 PolarHBondContact O-N 3.13Å |
| 79 | E | 80.9 | Confident | 75.1 | Confident | 128 Ų | 128 | 111.7 Ų | 111.7 | 60% | 0.598 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.1 | -43.2 | 178.7 | -165.9 | 170.1 | -163.2 | 0 | 0 | 110.1 | L75 D76 R77 M82 Q83 | L75-E79 VanDerWaalsContact O-CB 3.31Å; L75-E79 WeakPolarHBondContact O-CB 3.26Å; L75-E79 PolarHBondContact O-N 3.45Å; D76-E79 PolarHBondContact O-N 2.61Å; R77-E79 VanDerWaalsContact C-N 3.32Å; R77-E79 PolarHBondContact O-N 2.81Å; E79-M82 PolarHBondContact O-N 3.27Å; E79-Q83 WeakPolarHBondContact O-CB 3.4Å; E79-Q83 PolarHBondContact O-N 3.36Å |
| 80 | R | 77.6 | Confident | 73.6 | Confident | 148 Ų | 148 | 109.5 Ų | 109.5 | 56% | 0.558 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.2 | -39.1 | 171.6 | -70.7 | 176.5 | -161.2 | -171.6 | 3.8 | 112.8 | D76 R77 Q83 N84 | D76-R80 WeakPolarHBondContact O-CB 3.46Å; D76-R80 VanDerWaalsContact O-CG 3.22Å; D76-R80 WeakPolarHBondContact O-CG 3.42Å; D76-R80 PolarHBondContact O-N 2.86Å; D76-R80 IonicContact OD1-CZ 2.93Å; D76-R80 IonicContact OD1-NE 3.84Å; D76-R80 PolarHBondContact OD1-NE 2.9Å; D76-R80 IonicContact OD1-NH2 3.98Å; D76-R80 IonicContact OD2-CZ 3.47Å; D76-R80 IonicContact OD2-NE 3.12Å; D76-R80 PolarHBondContact OD2-NE 2.83Å; D76-R80 VanDerWaalsContact OD2-NE 3.13Å; D76-R80 IonicContact OD2-NH2 3.27Å; D76-R80 PolarHBondContact OD2-NH2 3.32Å; R77-R80 PolarHBondContact O-N 3.36Å; R80-Q83 PolarHBondContact O-N 2.75Å; R80-N84 VanDerWaalsContact O-CB 3.22Å; R80-N84 WeakPolarHBondContact O-CB 3.47Å; R80-N84 PolarHBondContact O-N 3.42Å |
| 81 | E | 78 | Confident | 72.2 | Confident | 89 Ų | 89 | 108.8 Ų | 108.8 | 42% | 0.416 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64 | -45.2 | 174.3 | -77 | 170.5 | -162.8 | 0 | 0 | 110.6 | R77 R78 N84 L85 | R77-E81 IonicContact CZ-OE1 3.41Å; R77-E81 IonicContact NE-OE1 2.75Å; R77-E81 PolarHBondContact NE-OE1 2.82Å; R77-E81 IonicContact NH2-OE1 3.55Å; R77-E81 WeakPolarHBondContact O-CB 3.34Å; R77-E81 VanDerWaalsContact O-CG 3.28Å; R77-E81 WeakPolarHBondContact O-CG 3.31Å; R77-E81 PolarHBondContact O-N 3.38Å; R78-E81 PolarHBondContact O-N 2.64Å; E81-N84 PolarHBondContact O-N 3.31Å; E81-L85 WeakPolarHBondContact O-CB 3.34Å; E81-L85 WeakPolarHBondContact O-CD1 3.37Å; E81-L85 PolarHBondContact O-N 2.82Å |
| 82 | M | 63.8 | Low | 71 | Confident | 135 Ų | 135 | 107.2 Ų | 107.2 | 67% | 0.665 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.6 | -37.3 | 177.5 | -153.8 | -175.9 | -52.5 | 0 | 0 | 111.7 | R78 E79 L85 S86 | R78-M82 VanDerWaalsContact O-CB 3.26Å; R78-M82 WeakPolarHBondContact O-CB 3.4Å; R78-M82 PolarHBondContact O-N 3.13Å; E79-M82 PolarHBondContact O-N 3.27Å; M82-L85 PolarHBondContact O-N 2.73Å; M82-S86 WeakPolarHBondContact O-CB 3.22Å; M82-S86 PolarHBondContact O-N 3.24Å |
| 83 | Q | 66.6 | Low | 70.2 | Confident | 127 Ų | 127 | 109.3 Ų | 109.3 | 59% | 0.593 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.8 | -40 | 174.5 | -163.3 | 171.2 | 26.1 | 0 | 0 | 111.1 | E79 R80 S86 Q87 | E79-Q83 WeakPolarHBondContact O-CB 3.4Å; E79-Q83 PolarHBondContact O-N 3.36Å; R80-Q83 PolarHBondContact O-N 2.75Å; Q83-S86 WeakPolarHBondContact O-CB 3.22Å; Q83-S86 PolarHBondContact O-N 3.31Å; Q83-Q87 VanDerWaalsContact O-CB 3.23Å; Q83-Q87 WeakPolarHBondContact O-CB 3.23Å; Q83-Q87 PolarHBondContact O-N 2.88Å |
| 84 | N | 66 | Low | 69.3 | Low | 84 Ų | 84 | 109.2 Ų | 109.2 | 45% | 0.449 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 172.2 | -95.8 | -14.4 | 0 | 0 | 0 | 112 | R80 E81 S86 Q87 H88 | R80-N84 VanDerWaalsContact O-CB 3.22Å; R80-N84 WeakPolarHBondContact O-CB 3.47Å; R80-N84 PolarHBondContact O-N 3.42Å; E81-N84 PolarHBondContact O-N 3.31Å; N84-S86 VanDerWaalsContact C-N 3.35Å; N84-Q87 CarbonylContact O-C 3.58Å; N84-Q87 PolarHBondContact O-N 2.91Å; N84-H88 VanDerWaalsContact O-CB 3.23Å; N84-H88 WeakPolarHBondContact O-CB 3.38Å; N84-H88 PolarHBondContact O-N 3.46Å; N84-H88 PolarHBondContact O-ND1 2.76Å |
| 85 | L | 60.8 | Low | 68 | Low | 133 Ų | 133 | 107.1 Ų | 107.1 | 70% | 0.696 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.7 | -35.3 | 173.5 | -93.7 | 141.5 | 0 | 0 | 0 | 112.3 | E81 M82 Q87 | E81-L85 WeakPolarHBondContact O-CB 3.34Å; E81-L85 WeakPolarHBondContact O-CD1 3.37Å; E81-L85 PolarHBondContact O-N 2.82Å; M82-L85 PolarHBondContact O-N 2.73Å; L85-Q87 VanDerWaalsContact C-N 3.33Å |
| 86 | S | 57.6 | Low | 66.8 | Low | 59 Ų | 59 | 105.5 Ų | 105.5 | 41% | 0.413 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.9 | -31.9 | 172 | -171.9 | 0 | 0 | 0 | 0 | 112.1 | M82 Q83 N84 | M82-S86 WeakPolarHBondContact O-CB 3.22Å; M82-S86 PolarHBondContact O-N 3.24Å; Q83-S86 WeakPolarHBondContact O-CB 3.22Å; Q83-S86 PolarHBondContact O-N 3.31Å; N84-S86 VanDerWaalsContact C-N 3.35Å |
| 87 | Q | 53.4 | Low | 65.3 | Low | 149 Ų | 149 | 105.3 Ų | 105.3 | 70% | 0.696 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -90 | -30.4 | -177.4 | -155.5 | 178.6 | 71.1 | 0 | 0 | 113.3 | Q83 N84 L85 G89 | Q83-Q87 VanDerWaalsContact O-CB 3.23Å; Q83-Q87 WeakPolarHBondContact O-CB 3.23Å; Q83-Q87 PolarHBondContact O-N 2.88Å; N84-Q87 CarbonylContact O-C 3.58Å; N84-Q87 PolarHBondContact O-N 2.91Å; L85-Q87 VanDerWaalsContact C-N 3.33Å; Q87-G89 PolarHBondContact O-N 2.88Å |
| 88 | H | 47.6 | Very low | 64 | Low | 141 Ų | 141 | 104 Ų | 104 | 65% | 0.653 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -95.5 | 70.4 | 179.3 | -68.6 | 82.1 | 0 | 0 | 0 | 112 | N84 | N84-H88 VanDerWaalsContact O-CB 3.23Å; N84-H88 WeakPolarHBondContact O-CB 3.38Å; N84-H88 PolarHBondContact O-N 3.46Å; N84-H88 PolarHBondContact O-ND1 2.76Å |
| 89 | G | 51.9 | Low | 63.1 | Low | 60 Ų | 60 | 102.5 Ų | 102.5 | 62% | 0.619 | 53% | 0.533 | S | S | * | . | trans | 83.3 | 56.2 | 146.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | Q87 K91 | Q87-G89 PolarHBondContact O-N 2.88Å; G89-K91 PolarHBondContact O-N 3.48Å; G89-K91 VanDerWaalsContact O-N 3.11Å | ||
| 90 | R | 59.8 | Low | 62.2 | Low | 76 Ų | 76 | 103.6 Ų | 103.6 | 29% | 0.287 | 54% | 0.543 | S | S | . | . | trans | -54.5 | 115.8 | 154.9 | -85.5 | 169.7 | 160 | -178.9 | 9.2 | 109.3 | N92 Y108 D114 | R90-N92 PolarHBondContact O-N 3.05Å; R90-Y108 HydrophobicContact CB-CD1 4.02Å; R90-Y108 HydrophobicContact CB-CD2 3.53Å; R90-Y108 HydrophobicContact CB-CE1 4.31Å; R90-Y108 HydrophobicContact CB-CE2 3.77Å; R90-Y108 HydrophobicContact CB-CG 3.6Å; R90-Y108 HydrophobicContact CG-CD1 4.4Å; R90-Y108 HydrophobicContact CG-CD2 4.23Å; R90-Y108 HydrophobicContact CG-CE1 4.22Å; R90-Y108 HydrophobicContact CG-CE2 3.96Å; R90-Y108 HydrophobicContact CG-CG 4.38Å; R90-Y108 PolarHBondContact NE-OH 3.44Å; R90-D114 IonicContact CZ-OD1 2.71Å; R90-D114 IonicContact NH1-OD1 3.25Å; R90-D114 PolarHBondContact NH1-OD1 2.83Å | ||
| 91 | K | 61.8 | Low | 61 | Low | 189 Ų | 189 | 102 Ų | 102 | 82% | 0.822 | 54% | 0.54 | S | S | * | . | trans | -56.8 | 125.7 | -176.9 | -72.9 | -176.6 | 177.6 | 179.7 | 0 | 110.2 | G89 N93 Y108 | G89-K91 PolarHBondContact O-N 3.48Å; G89-K91 VanDerWaalsContact O-N 3.11Å; K91-N93 PolarHBondContact O-N 3.17Å; K91-Y108 WeakPolarHBondContact O-CD2 3.15Å | ||
| 92 | N | 64 | Low | 60 | Low | 82 Ų | 82 | 103.7 Ų | 103.7 | 44% | 0.439 | 56% | 0.559 | S | S | . | * | trans | -52.6 | 129.2 | 176.2 | -68.3 | -24.1 | 0 | 0 | 0 | 110.6 | R90 P105 C106 F107 Y108 | R90-N92 PolarHBondContact O-N 3.05Å; N92-P105 HydrophobicContact CB-CB 3.98Å; N92-P105 WeakPolarHBondContact CB-O 3.26Å; N92-P105 PolarHBondContact ND2-O 3.04Å; N92-P105 WeakPolarHBondContact O-CB 3.49Å; N92-C106 VanDerWaalsContact CG-C 3.43Å; N92-C106 VanDerWaalsContact ND2-C 3.33Å; N92-C106 PolarHBondContact ND2-O 2.93Å; N92-F107 CarbonylContact C-O 3.6Å; N92-F107 WeakPolarHBondContact CA-O 3.41Å; N92-F107 WeakPolarHBondContact OD1-CA 3.33Å; N92-Y108 PolarHBondContact OD1-N 3.44Å | ||
| 93 | N | 71.2 | Confident | 59.6 | Low | 101 Ų | 101 | 100.6 Ų | 100.6 | 54% | 0.54 | 55% | 0.548 | S | S | . | . | trans | -121.2 | -3.4 | -174.7 | -170.3 | 31.9 | 0 | 0 | 0 | 112.4 | K91 F107 | K91-N93 PolarHBondContact O-N 3.17Å; N93-F107 PolarHBondContact N-O 2.71Å | ||
| 94 | W | 67.4 | Low | 59 | Low | 60 Ų | 60 | 96.4 Ų | 96.4 | 23% | 0.227 | 54% | 0.539 | C | S | . | . | B | Isolated β-bridge | trans | -132.1 | 134 | -173.1 | -171.7 | -108 | 0 | 0 | 0 | 111.4 | P96 P105 C106 F107 Q109 Y127 | W94-P96 HydrophobicContact CE3-CG 3.92Å; W94-P96 HydrophobicContact CH2-CG 4.28Å; W94-P96 HydrophobicContact CZ3-CG 3.48Å; W94-P96 VanDerWaalsContact CZ3-CG 3.48Å; W94-P105 CarbonylContact O-C 3.59Å; W94-C106 PolarHBondContact O-N 3.18Å; W94-F107 WeakPolarHBondContact CB-O 3.44Å; W94-F107 PolarHBondContact N-O 3.25Å; W94-F107 PolarHBondContact O-N 2.93Å; W94-Q109 HydrophobicContact CB-CB 4.13Å; W94-Y127 VanDerWaalsContact CE2-OH 3.28Å; W94-Y127 WeakPolarHBondContact CH2-OH 3.25Å; W94-Y127 HydrophobicContact CZ2-CE2 4.19Å; W94-Y127 AromaticContact CZ2-CZ 3.88Å; W94-Y127 WeakPolarHBondContact CZ2-OH 3.42Å; W94-Y127 WeakPolarHBondContact CZ3-OH 3.45Å |
| 95 | P | 59.8 | Low | 58.8 | Low | 30 Ų | 30 | 95.3 Ų | 95.3 | 20% | 0.195 | 54% | 0.537 | C | S | . | . | S | Bend | cis | -74 | 143.5 | -7.5 | 33.7 | -36.8 | 0 | 0 | 0 | 112.1 | L97 | P95-L97 HydrophobicContact CB-CD1 3.95Å; P95-L97 HydrophobicContact CB-CG 3.87Å; P95-L97 HydrophobicContact CG-CD1 3.43Å; P95-L97 VanDerWaalsContact CG-CD1 3.43Å; P95-L97 HydrophobicContact CG-CG 3.83Å; P95-L97 PolarHBondContact O-N 3.49Å |
| 96 | P | 58.4 | Low | 58.9 | Low | 84 Ų | 84 | 93.2 Ų | 93.2 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | trans | -76.9 | 70.1 | 176.1 | 34.5 | -35.8 | 0 | 0 | 0 | 106.8 | W94 | W94-P96 HydrophobicContact CE3-CG 3.92Å; W94-P96 HydrophobicContact CH2-CG 4.28Å; W94-P96 HydrophobicContact CZ3-CG 3.48Å; W94-P96 VanDerWaalsContact CZ3-CG 3.48Å | ||
| 97 | L | 56 | Low | 59.1 | Low | 60 Ų | 60 | 92.8 Ų | 92.8 | 31% | 0.314 | 52% | 0.523 | S | S | . | . | trans | -88.8 | 141.3 | 174 | -64.4 | 170.8 | 0 | 0 | 0 | 107.6 | P95 F101 V103 | P95-L97 HydrophobicContact CB-CD1 3.95Å; P95-L97 HydrophobicContact CB-CG 3.87Å; P95-L97 HydrophobicContact CG-CD1 3.43Å; P95-L97 VanDerWaalsContact CG-CD1 3.43Å; P95-L97 HydrophobicContact CG-CG 3.83Å; P95-L97 PolarHBondContact O-N 3.49Å; L97-F101 HydrophobicContact CB-CB 3.83Å; L97-F101 HydrophobicContact CB-CG 4.32Å; L97-F101 HydrophobicContact CD1-CB 4.39Å; L97-F101 HydrophobicContact CD1-CD1 3.5Å; L97-F101 VanDerWaalsContact CD1-CD1 3.5Å; L97-F101 HydrophobicContact CD1-CE1 3.97Å; L97-F101 HydrophobicContact CD1-CG 4.09Å; L97-F101 HydrophobicContact CG-CD1 4.4Å; L97-V103 HydrophobicContact CD1-CB 4.14Å; L97-V103 WeakPolarHBondContact CD1-O 3.23Å | ||
| 98 | P | 59.3 | Low | 59.6 | Low | 93 Ų | 93 | 87.9 Ų | 87.9 | 60% | 0.604 | 50% | 0.498 | S | S | * | . | trans | -55.4 | 150.8 | 171.9 | 23.2 | -31.3 | 0 | 0 | 0 | 109.4 | N100 F101 | P98-N100 PolarHBondContact O-N 2.76Å; P98-F101 PolarHBondContact O-N 3.38Å | ||
| 99 | S | 63.1 | Low | 60.5 | Low | 124 Ų | 124 | 81.9 Ų | 81.9 | 87% | 0.867 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -10.3 | -174.4 | 47.9 | 0 | 0 | 0 | 0 | 115.1 | ||
| 100 | N | 62.7 | Low | 61.5 | Low | 152 Ų | 152 | 80.8 Ų | 80.8 | 81% | 0.813 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -4.3 | 177.4 | -63.9 | 83 | 0 | 0 | 0 | 114.5 | P98 | P98-N100 PolarHBondContact O-N 2.76Š|
| 101 | F | 51.8 | Low | 62.4 | Low | 113 Ų | 113 | 78.6 Ų | 78.6 | 50% | 0.496 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -89.1 | 136.9 | 178 | -151.3 | -94.1 | 0 | 0 | 0 | 110.9 | L97 P98 V103 | L97-F101 HydrophobicContact CB-CB 3.83Å; L97-F101 HydrophobicContact CB-CG 4.32Å; L97-F101 HydrophobicContact CD1-CB 4.39Å; L97-F101 HydrophobicContact CD1-CD1 3.5Å; L97-F101 VanDerWaalsContact CD1-CD1 3.5Å; L97-F101 HydrophobicContact CD1-CE1 3.97Å; L97-F101 HydrophobicContact CD1-CG 4.09Å; L97-F101 HydrophobicContact CG-CD1 4.4Å; P98-F101 PolarHBondContact O-N 3.38Å; F101-V103 HydrophobicContact CD1-CB 4Å; F101-V103 HydrophobicContact CD1-CG2 4.08Å; F101-V103 HydrophobicContact CE1-CB 4.3Å; F101-V103 HydrophobicContact CE1-CG2 3.99Å; F101-V103 PolarHBondContact O-N 3.42Å |
| 102 | P | 56.3 | Low | 62.8 | Low | 125 Ų | 125 | 73.3 Ų | 73.3 | 81% | 0.812 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -66.4 | -9.7 | -174.6 | 23.5 | -33.4 | 0 | 0 | 0 | 114.8 | ||
| 103 | V | 55.1 | Low | 63.3 | Low | 70 Ų | 70 | 73.4 Ų | 73.4 | 42% | 0.424 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -107.4 | 98.1 | 177.5 | -168.8 | 0 | 0 | 0 | 0 | 107.5 | L97 F101 | L97-V103 HydrophobicContact CD1-CB 4.14Å; L97-V103 WeakPolarHBondContact CD1-O 3.23Å; F101-V103 HydrophobicContact CD1-CB 4Å; F101-V103 HydrophobicContact CD1-CG2 4.08Å; F101-V103 HydrophobicContact CE1-CB 4.3Å; F101-V103 HydrophobicContact CE1-CG2 3.99Å; F101-V103 PolarHBondContact O-N 3.42Å |
| 104 | G | 54.9 | Low | 63.6 | Low | 40 Ų | 40 | 69.3 Ų | 69.3 | 41% | 0.412 | 41% | 0.411 | S | S | . | . | trans | -70.1 | 172.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | C106 | G104-C106 PolarHBondContact O-N 3.44Å; G104-C106 PolarHBondContact O-SG 3.48Å | ||
| 105 | P | 62.1 | Low | 64.3 | Low | 61 Ų | 61 | 66.7 Ų | 66.7 | 40% | 0.396 | 40% | 0.402 | S | S | . | . | trans | -58.7 | 109.2 | 171.9 | -23.5 | 34.3 | 0 | 0 | 0 | 110.6 | N92 W94 | N92-P105 HydrophobicContact CB-CB 3.98Å; N92-P105 WeakPolarHBondContact CB-O 3.26Å; N92-P105 PolarHBondContact ND2-O 3.04Å; N92-P105 WeakPolarHBondContact O-CB 3.49Å; W94-P105 CarbonylContact O-C 3.59Å | ||
| 106 | C | 61.7 | Low | 65.3 | Low | 88 Ų | 88 | 68 Ų | 68 | 60% | 0.595 | 41% | 0.41 | S | S | * | . | trans | -95.6 | -14.8 | -176.5 | -72.2 | 0 | 0 | 0 | 0 | 113 | N92 W94 G104 | N92-C106 VanDerWaalsContact CG-C 3.43Å; N92-C106 VanDerWaalsContact ND2-C 3.33Å; N92-C106 PolarHBondContact ND2-O 2.93Å; W94-C106 PolarHBondContact O-N 3.18Å; G104-C106 PolarHBondContact O-N 3.44Å; G104-C106 PolarHBondContact O-SG 3.48Å | ||
| 107 | F | 63.7 | Low | 66.4 | Low | 51 Ų | 51 | 69.1 Ų | 69.1 | 22% | 0.224 | 42% | 0.415 | C | S | . | . | B | Isolated β-bridge | trans | -144.7 | 146.2 | -175 | -164.3 | -112.6 | 0 | 0 | 0 | 113.9 | N92 N93 W94 Q109 R178 | N92-F107 CarbonylContact C-O 3.6Å; N92-F107 WeakPolarHBondContact CA-O 3.41Å; N92-F107 WeakPolarHBondContact OD1-CA 3.33Å; N93-F107 PolarHBondContact N-O 2.71Å; W94-F107 WeakPolarHBondContact CB-O 3.44Å; W94-F107 PolarHBondContact N-O 3.25Å; W94-F107 PolarHBondContact O-N 2.93Å; F107-Q109 HydrophobicContact CD1-CB 4.21Å; F107-R178 VanDerWaalsContact CE2-CZ 3.43Å; F107-R178 VanDerWaalsContact CZ-NH1 3.33Å |
| 108 | Y | 63.8 | Low | 67.5 | Low | 45 Ų | 45 | 72.9 Ų | 72.9 | 18% | 0.176 | 43% | 0.431 | C | S | . | . | trans | -85.8 | 118.9 | 165.9 | -179.4 | -91.7 | 0 | 0 | 0 | 110.1 | R90 K91 N92 D110 | R90-Y108 HydrophobicContact CB-CD1 4.02Å; R90-Y108 HydrophobicContact CB-CD2 3.53Å; R90-Y108 HydrophobicContact CB-CE1 4.31Å; R90-Y108 HydrophobicContact CB-CE2 3.77Å; R90-Y108 HydrophobicContact CB-CG 3.6Å; R90-Y108 HydrophobicContact CG-CD1 4.4Å; R90-Y108 HydrophobicContact CG-CD2 4.23Å; R90-Y108 HydrophobicContact CG-CE1 4.22Å; R90-Y108 HydrophobicContact CG-CE2 3.96Å; R90-Y108 HydrophobicContact CG-CG 4.38Å; R90-Y108 PolarHBondContact NE-OH 3.44Å; K91-Y108 WeakPolarHBondContact O-CD2 3.15Å; N92-Y108 PolarHBondContact OD1-N 3.44Å; Y108-D110 HydrophobicContact CD1-CB 4.43Å; Y108-D110 HydrophobicContact CE1-CB 3.44Å; Y108-D110 VanDerWaalsContact CE1-CB 3.44Å; Y108-D110 HydrophobicContact CE2-CB 4.45Å; Y108-D110 WeakPolarHBondContact OH-CB 3.31Å; Y108-D110 PolarHBondContact OH-OD2 3.18Å; Y108-D110 VanDerWaalsContact OH-OD2 3.05Å | ||
| 109 | Q | 66.6 | Low | 68.7 | Low | 15 Ų | 15 | 70 Ų | 70 | 7% | 0.07 | 41% | 0.41 | C | S | . | . | trans | -129.7 | 117.4 | 175.1 | -178.6 | 113.1 | 78.2 | 0 | 0 | 108.2 | W94 F107 F111 Y177 | W94-Q109 HydrophobicContact CB-CB 4.13Å; F107-Q109 HydrophobicContact CD1-CB 4.21Å; Q109-F111 HydrophobicContact CG-CE1 4.48Å; Q109-F111 HydrophobicContact CG-CE2 3.95Å; Q109-F111 HydrophobicContact CG-CZ 3.92Å; Q109-Y177 VanDerWaalsContact CD-OH 3.26Å; Q109-Y177 PolarHBondContact NE2-OH 3.21Å; Q109-Y177 PolarHBondContact OE1-OH 3.35Å | ||
| 110 | D | 73 | Confident | 69.8 | Low | 37 Ų | 37 | 65.5 Ų | 65.5 | 20% | 0.198 | 37% | 0.374 | C | S | . | . | trans | -139.4 | 102 | 176.4 | -172.6 | -27.7 | 0 | 0 | 0 | 109.9 | Y108 S112 V113 D114 Y181 | Y108-D110 HydrophobicContact CD1-CB 4.43Å; Y108-D110 HydrophobicContact CE1-CB 3.44Å; Y108-D110 VanDerWaalsContact CE1-CB 3.44Å; Y108-D110 HydrophobicContact CE2-CB 4.45Å; Y108-D110 WeakPolarHBondContact OH-CB 3.31Å; Y108-D110 PolarHBondContact OH-OD2 3.18Å; Y108-D110 VanDerWaalsContact OH-OD2 3.05Å; D110-S112 VanDerWaalsContact C-N 3.27Å; D110-S112 PolarHBondContact O-N 3.11Å; D110-S112 PolarHBondContact OD1-N 3.02Å; D110-S112 PolarHBondContact OD1-OG 2.92Å; D110-V113 PolarHBondContact OD1-N 3.02Å; D110-V113 WeakPolarHBondContact OD2-CG2 3.23Å; D110-D114 VanDerWaalsContact O-CB 3.25Å; D110-D114 WeakPolarHBondContact O-CB 3.22Å; D110-D114 PolarHBondContact O-N 2.92Å; D110-Y181 PolarHBondContact O-OH 3.03Å | ||
| 111 | F | 78.3 | Confident | 70.9 | Confident | 30 Ų | 30 | 66.7 Ų | 66.7 | 13% | 0.132 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.4 | -28.5 | -178.6 | -59 | -82.8 | 0 | 0 | 0 | 113 | Q109 I115 Q120 V123 K124 Y127 Y177 Y181 | Q109-F111 HydrophobicContact CG-CE1 4.48Å; Q109-F111 HydrophobicContact CG-CE2 3.95Å; Q109-F111 HydrophobicContact CG-CZ 3.92Å; F111-I115 WeakPolarHBondContact O-CB 3.33Å; F111-I115 PolarHBondContact O-N 3.28Å; F111-Q120 WeakPolarHBondContact O-CG 3.17Å; F111-Q120 PolarHBondContact O-NE2 3.28Å; F111-V123 HydrophobicContact CD1-CG1 3.99Å; F111-V123 HydrophobicContact CE1-CG1 3.93Å; F111-K124 HydrophobicContact CB-CD 4.44Å; F111-K124 VanDerWaalsContact CB-CE 3.47Å; F111-K124 HydrophobicContact CB-CG 4.11Å; F111-K124 HydrophobicContact CD1-CG 3.9Å; F111-K124 HydrophobicContact CD2-CG 4.06Å; F111-K124 HydrophobicContact CE1-CG 4.33Å; F111-K124 HydrophobicContact CE2-CG 4.47Å; F111-K124 HydrophobicContact CG-CG 3.75Å; F111-Y127 HydrophobicContact CZ-CD1 4.08Å; F111-Y127 HydrophobicContact CZ-CD2 4.33Å; F111-Y127 AromaticContact CZ-CG 3.83Å; F111-Y127 HydrophobicContact CZ-CG 3.83Å; F111-Y177 WeakPolarHBondContact CE1-OH 3.49Å; F111-Y177 WeakPolarHBondContact CZ-OH 3.22Å; F111-Y181 HydrophobicContact CD1-CE2 4Å; F111-Y181 HydrophobicContact CE1-CD2 4.29Å; F111-Y181 HydrophobicContact CE1-CE2 4.06Å |
| 112 | S | 69.4 | Low | 72.7 | Confident | 78 Ų | 78 | 61.6 Ų | 61.6 | 55% | 0.545 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -74.7 | -33.5 | -177.1 | 24.8 | 0 | 0 | 0 | 0 | 112.7 | D110 Q120 | D110-S112 VanDerWaalsContact C-N 3.27Å; D110-S112 PolarHBondContact O-N 3.11Å; D110-S112 PolarHBondContact OD1-N 3.02Å; D110-S112 PolarHBondContact OD1-OG 2.92Å; S112-Q120 PolarHBondContact O-NE2 3.33Å |
| 113 | V | 75 | Confident | 74.3 | Confident | 85 Ų | 85 | 55.6 Ų | 55.6 | 52% | 0.515 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -96.7 | -31.5 | -176.5 | -170.1 | 0 | 0 | 0 | 0 | 112.3 | D110 | D110-V113 PolarHBondContact OD1-N 3.02Å; D110-V113 WeakPolarHBondContact OD2-CG2 3.23Å |
| 114 | D | 78.3 | Confident | 76 | Confident | 15 Ų | 15 | 55.7 Ų | 55.7 | 8% | 0.08 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -91.5 | -22.8 | -174.8 | -71.4 | -13.3 | 0 | 0 | 0 | 114.6 | R90 D110 Y181 R185 | R90-D114 IonicContact CZ-OD1 2.71Å; R90-D114 IonicContact NH1-OD1 3.25Å; R90-D114 PolarHBondContact NH1-OD1 2.83Å; D110-D114 VanDerWaalsContact O-CB 3.25Å; D110-D114 WeakPolarHBondContact O-CB 3.22Å; D110-D114 PolarHBondContact O-N 2.92Å; D114-Y181 HydrophobicContact CB-CE1 4.42Å; D114-Y181 VanDerWaalsContact CB-OH 3.23Å; D114-Y181 WeakPolarHBondContact CB-OH 3.48Å; D114-Y181 PolarHBondContact OD2-OH 2.87Å; D114-R185 HydrophobicContact CB-CG 4.32Å; D114-R185 WeakPolarHBondContact O-CG 3.33Å; D114-R185 IonicContact OD1-CZ 3.91Å; D114-R185 IonicContact OD1-NE 2.72Å; D114-R185 IonicContact OD1-NH1 3.7Å; D114-R185 PolarHBondContact OD1-NH1 3.26Å; D114-R185 IonicContact OD1-NH2 3.38Å; D114-R185 IonicContact OD2-CZ 3.54Å; D114-R185 IonicContact OD2-NH1 2.64Å; D114-R185 PolarHBondContact OD2-NH1 2.96Å |
| 115 | I | 81.1 | Confident | 77.7 | Confident | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -118.7 | 130.8 | -171.9 | -54 | -63.7 | 0 | 0 | 0 | 109.7 | F111 F119 Q120 V123 Y181 F184 R185 | F111-I115 WeakPolarHBondContact O-CB 3.33Å; F111-I115 PolarHBondContact O-N 3.28Å; I115-F119 HydrophobicContact CG2-CB 3.9Å; I115-Q120 HydrophobicContact CB-CG 4.04Å; I115-Q120 HydrophobicContact CG2-CG 4.07Å; I115-Q120 VanDerWaalsContact O-CG 3.31Å; I115-Q120 WeakPolarHBondContact O-CG 3.4Å; I115-Q120 PolarHBondContact O-NE2 2.96Å; I115-V123 HydrophobicContact CG1-CG1 4.41Å; I115-V123 HydrophobicContact CG2-CG2 4.04Å; I115-Y181 HydrophobicContact CD1-CD2 4.19Å; I115-Y181 HydrophobicContact CD1-CE2 4Å; I115-Y181 HydrophobicContact CG1-CD2 4.48Å; I115-Y181 HydrophobicContact CG1-CE2 3.97Å; I115-F184 HydrophobicContact CD1-CB 4Å; I115-F184 HydrophobicContact CG2-CB 4.41Å; I115-R185 HydrophobicContact CD1-CB 3.86Å |
| 116 | P | 80.9 | Confident | 79.2 | Confident | 57 Ų | 57 | 54.8 Ų | 54.8 | 37% | 0.37 | 29% | 0.288 | S | S | . | . | trans | -54 | 141.4 | 173.2 | -24.5 | 33.1 | 0 | 0 | 0 | 112.1 | E118 F119 Q120 | P116-E118 VanDerWaalsContact CB-OE2 3.22Å; P116-E118 WeakPolarHBondContact CB-OE2 3.12Å; P116-E118 PolarHBondContact O-N 2.72Å; P116-F119 HydrophobicContact CB-CD2 3.99Å; P116-F119 HydrophobicContact CB-CE2 4.41Å; P116-F119 HydrophobicContact CG-CD2 4.15Å; P116-F119 PolarHBondContact O-N 2.62Å; P116-Q120 WeakPolarHBondContact O-CG 3.41Å; P116-Q120 PolarHBondContact O-N 2.89Å | ||
| 117 | V | 80.4 | Confident | 80.6 | Confident | 108 Ų | 108 | 51.2 Ų | 51.2 | 66% | 0.655 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -54.8 | -31.9 | -169.1 | -180 | 0 | 0 | 0 | 0 | 112.3 | F119 | V117-F119 VanDerWaalsContact C-N 3.32Å; V117-F119 PolarHBondContact O-N 3.27Å |
| 118 | E | 80.8 | Confident | 82 | Confident | 139 Ų | 139 | 55.1 Ų | 55.1 | 65% | 0.65 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62.8 | -37 | 179.3 | -56.8 | 71.8 | -152.9 | 0 | 0 | 112 | P116 | P116-E118 VanDerWaalsContact CB-OE2 3.22Å; P116-E118 WeakPolarHBondContact CB-OE2 3.12Å; P116-E118 PolarHBondContact O-N 2.72Å |
| 119 | F | 83.9 | Confident | 83.5 | Confident | 33 Ų | 33 | 53.2 Ų | 53.2 | 15% | 0.145 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -100.3 | -14.1 | -174.4 | -52.2 | -55.9 | 0 | 0 | 0 | 113.7 | I115 P116 V117 K121 T122 V123 F184 L262 T266 | I115-F119 HydrophobicContact CG2-CB 3.9Å; P116-F119 HydrophobicContact CB-CD2 3.99Å; P116-F119 HydrophobicContact CB-CE2 4.41Å; P116-F119 HydrophobicContact CG-CD2 4.15Å; P116-F119 PolarHBondContact O-N 2.62Å; V117-F119 VanDerWaalsContact C-N 3.32Å; V117-F119 PolarHBondContact O-N 3.27Å; F119-K121 VanDerWaalsContact C-N 3.29Å; F119-K121 PolarHBondContact O-N 3.26Å; F119-T122 WeakPolarHBondContact O-CB 3.38Å; F119-T122 PolarHBondContact O-N 2.99Å; F119-V123 PolarHBondContact O-N 3.24Å; F119-F184 HydrophobicContact CB-CD1 3.59Å; F119-F184 HydrophobicContact CB-CE1 3.96Å; F119-F184 HydrophobicContact CB-CG 4.35Å; F119-F184 HydrophobicContact CD1-CD1 4.01Å; F119-F184 AromaticContact CD1-CE1 3.71Å; F119-F184 HydrophobicContact CD1-CE1 3.71Å; F119-F184 AromaticContact CD2-CD1 3.92Å; F119-F184 HydrophobicContact CD2-CD1 3.92Å; F119-F184 HydrophobicContact CD2-CE1 4.42Å; F119-F184 HydrophobicContact CE1-CE1 4.33Å; F119-F184 AromaticContact CG-CD1 3.56Å; F119-F184 HydrophobicContact CG-CD1 3.56Å; F119-F184 AromaticContact CG-CE1 3.77Å; F119-F184 HydrophobicContact CG-CE1 3.77Å; F119-L262 HydrophobicContact CD1-CD1 4.24Å; F119-L262 HydrophobicContact CD1-CD2 4.07Å; F119-L262 HydrophobicContact CE1-CD2 3.92Å; F119-T266 HydrophobicContact CE1-CG2 4.24Å; F119-T266 HydrophobicContact CE2-CG2 4.23Å; F119-T266 HydrophobicContact CZ-CG2 3.52Å |
| 120 | Q | 85.6 | Confident | 84.8 | Confident | 28 Ų | 28 | 53.8 Ų | 53.8 | 13% | 0.131 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -51.6 | -44.3 | -176.1 | -74 | -177.8 | 15.3 | 0 | 0 | 113.3 | F111 S112 I115 P116 T122 V123 K124 | F111-Q120 WeakPolarHBondContact O-CG 3.17Å; F111-Q120 PolarHBondContact O-NE2 3.28Å; S112-Q120 PolarHBondContact O-NE2 3.33Å; I115-Q120 HydrophobicContact CB-CG 4.04Å; I115-Q120 HydrophobicContact CG2-CG 4.07Å; I115-Q120 VanDerWaalsContact O-CG 3.31Å; I115-Q120 WeakPolarHBondContact O-CG 3.4Å; I115-Q120 PolarHBondContact O-NE2 2.96Å; P116-Q120 WeakPolarHBondContact O-CG 3.41Å; P116-Q120 PolarHBondContact O-N 2.89Å; Q120-T122 VanDerWaalsContact C-N 3.34Å; Q120-T122 PolarHBondContact O-N 3.34Å; Q120-V123 PolarHBondContact O-N 3.47Å; Q120-K124 WeakPolarHBondContact O-CB 3.45Å; Q120-K124 VanDerWaalsContact O-CG 3.26Å; Q120-K124 WeakPolarHBondContact O-CG 3.34Å; Q120-K124 PolarHBondContact O-N 3.34Å |
| 121 | K | 86.8 | Confident | 85.8 | Confident | 178 Ų | 178 | 55.3 Ų | 55.3 | 77% | 0.774 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.6 | -42.7 | 179.9 | -69.9 | -178 | -179.6 | 174.9 | 0 | 111.8 | F119 L125 | F119-K121 VanDerWaalsContact C-N 3.29Å; F119-K121 PolarHBondContact O-N 3.26Å; K121-L125 WeakPolarHBondContact O-CB 3.09Å; K121-L125 PolarHBondContact O-N 2.98Å |
| 122 | T | 88.8 | Confident | 86.6 | Confident | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.4 | -47.1 | 179.8 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | F119 Q120 L125 M126 M255 K258 V259 L262 | F119-T122 WeakPolarHBondContact O-CB 3.38Å; F119-T122 PolarHBondContact O-N 2.99Å; Q120-T122 VanDerWaalsContact C-N 3.34Å; Q120-T122 PolarHBondContact O-N 3.34Å; T122-L125 PolarHBondContact O-N 3.09Å; T122-M126 WeakPolarHBondContact O-CG 3.44Å; T122-M126 PolarHBondContact O-N 3.08Å; T122-M255 HydrophobicContact CG2-CE 3.78Å; T122-M255 WeakPolarHBondContact O-CE 3.42Å; T122-K258 HydrophobicContact CG2-CD 4.24Å; T122-K258 WeakPolarHBondContact OG1-CE 3.27Å; T122-V259 HydrophobicContact CG2-CG2 3.77Å; T122-L262 HydrophobicContact CG2-CD1 3.79Å |
| 123 | V | 90.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.3 | -40.4 | -179 | -178 | 0 | 0 | 0 | 0 | 111.2 | F111 I115 F119 Q120 M126 Y127 Y181 F184 | F111-V123 HydrophobicContact CD1-CG1 3.99Å; F111-V123 HydrophobicContact CE1-CG1 3.93Å; I115-V123 HydrophobicContact CG1-CG1 4.41Å; I115-V123 HydrophobicContact CG2-CG2 4.04Å; F119-V123 PolarHBondContact O-N 3.24Å; Q120-V123 PolarHBondContact O-N 3.47Å; V123-M126 PolarHBondContact O-N 2.93Å; V123-Y127 PolarHBondContact O-N 2.94Å; V123-Y181 HydrophobicContact CG1-CD2 3.78Å; V123-Y181 HydrophobicContact CG1-CE2 4.41Å; V123-F184 HydrophobicContact CG2-CB 3.76Å; V123-F184 HydrophobicContact CG2-CD1 4.42Å; V123-F184 HydrophobicContact CG2-CD2 3.54Å; V123-F184 HydrophobicContact CG2-CE2 4.21Å; V123-F184 HydrophobicContact CG2-CG 3.66Å |
| 124 | K | 89.4 | Confident | 88.8 | Confident | 72 Ų | 72 | 50 Ų | 50 | 31% | 0.313 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61 | -43.8 | 172.5 | -75.5 | 176.1 | -177.2 | 175.7 | 0 | 111.9 | F111 Q120 M126 Y127 Y128 | F111-K124 HydrophobicContact CB-CD 4.44Å; F111-K124 VanDerWaalsContact CB-CE 3.47Å; F111-K124 HydrophobicContact CB-CG 4.11Å; F111-K124 HydrophobicContact CD1-CG 3.9Å; F111-K124 HydrophobicContact CD2-CG 4.06Å; F111-K124 HydrophobicContact CE1-CG 4.33Å; F111-K124 HydrophobicContact CE2-CG 4.47Å; F111-K124 HydrophobicContact CG-CG 3.75Å; Q120-K124 WeakPolarHBondContact O-CB 3.45Å; Q120-K124 VanDerWaalsContact O-CG 3.26Å; Q120-K124 WeakPolarHBondContact O-CG 3.34Å; Q120-K124 PolarHBondContact O-N 3.34Å; K124-M126 VanDerWaalsContact C-N 3.34Å; K124-M126 PolarHBondContact O-N 3.07Å; K124-Y127 WeakPolarHBondContact O-CB 3.16Å; K124-Y127 PolarHBondContact O-N 3Å; K124-Y128 HydrophobicContact CB-CE2 4.35Å; K124-Y128 WeakPolarHBondContact O-CD2 3.46Å; K124-Y128 PolarHBondContact O-N 3.05Å |
| 125 | L | 92.2 | Very high | 89.7 | Confident | 81 Ų | 81 | 52.8 Ų | 52.8 | 42% | 0.424 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.6 | -37.2 | 178.7 | -173.3 | 58 | 0 | 0 | 0 | 112 | K121 T122 Y127 Y128 L129 M255 | K121-L125 WeakPolarHBondContact O-CB 3.09Å; K121-L125 PolarHBondContact O-N 2.98Å; T122-L125 PolarHBondContact O-N 3.09Å; L125-Y127 VanDerWaalsContact C-N 3.35Å; L125-Y128 PolarHBondContact O-N 3.44Å; L125-L129 WeakPolarHBondContact O-CB 3.44Å; L125-L129 PolarHBondContact O-N 2.93Å; L125-M255 HydrophobicContact CB-CE 3.82Å; L125-M255 HydrophobicContact CB-SD 4.39Å; L125-M255 HydrophobicContact CD2-CE 3.86Å; L125-M255 HydrophobicContact CD2-SD 3.34Å; L125-M255 WeakPolarHBondContact CD2-SD 3.37Å; L125-M255 HydrophobicContact CG-CE 3.85Å; L125-M255 HydrophobicContact CG-SD 3.78Å |
| 126 | M | 93 | Very high | 90.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 172.9 | -72.4 | -67.3 | -97.2 | 0 | 0 | 112.5 | T122 V123 K124 L129 W130 W176 L180 F195 Y199 M255 V259 | T122-M126 WeakPolarHBondContact O-CG 3.44Å; T122-M126 PolarHBondContact O-N 3.08Å; V123-M126 PolarHBondContact O-N 2.93Å; K124-M126 VanDerWaalsContact C-N 3.34Å; K124-M126 PolarHBondContact O-N 3.07Å; M126-L129 WeakPolarHBondContact O-CB 3.38Å; M126-L129 PolarHBondContact O-N 2.96Å; M126-L129 HydrophobicContact SD-CD2 4.24Å; M126-W130 PolarHBondContact O-N 2.96Å; M126-W176 HydrophobicContact CB-CZ3 4.37Å; M126-W176 HydrophobicContact CE-CE3 4.39Å; M126-W176 HydrophobicContact CE-CZ3 3.9Å; M126-W176 HydrophobicContact SD-CZ3 4.45Å; M126-L180 HydrophobicContact CB-CD2 3.35Å; M126-L180 HydrophobicContact CE-CD1 4.21Å; M126-L180 HydrophobicContact CE-CD2 3.73Å; M126-L180 HydrophobicContact CG-CD2 3.47Å; M126-L180 VanDerWaalsContact CG-CD2 3.47Å; M126-L180 HydrophobicContact SD-CD2 4.4Å; M126-F195 HydrophobicContact CE-CE2 3.65Å; M126-F195 HydrophobicContact CE-CZ 3.41Å; M126-F195 VanDerWaalsContact CE-CZ 3.41Å; M126-Y199 HydrophobicContact CE-CD2 4.42Å; M126-Y199 HydrophobicContact CE-CE2 3.75Å; M126-M255 HydrophobicContact CE-CB 4.48Å; M126-M255 HydrophobicContact CG-CE 3.52Å; M126-M255 HydrophobicContact SD-CB 3.45Å; M126-M255 WeakPolarHBondContact SD-CB 3Å; M126-M255 HydrophobicContact SD-CE 3.73Å; M126-M255 HydrophobicContact SD-CG 3.96Å; M126-V259 HydrophobicContact CE-CG2 4.18Å; M126-V259 HydrophobicContact CG-CG2 4.48Å |
| 127 | Y | 91.9 | Very high | 91.3 | Very high | 14 Ų | 14 | 49.9 Ų | 49.9 | 6% | 0.055 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.6 | -46.1 | 172.8 | 168.8 | -102.7 | 0 | 0 | 0 | 112 | W94 F111 V123 K124 L125 L129 W130 M131 Y177 | W94-Y127 VanDerWaalsContact CE2-OH 3.28Å; W94-Y127 WeakPolarHBondContact CH2-OH 3.25Å; W94-Y127 HydrophobicContact CZ2-CE2 4.19Å; W94-Y127 AromaticContact CZ2-CZ 3.88Å; W94-Y127 WeakPolarHBondContact CZ2-OH 3.42Å; W94-Y127 WeakPolarHBondContact CZ3-OH 3.45Å; F111-Y127 HydrophobicContact CZ-CD1 4.08Å; F111-Y127 HydrophobicContact CZ-CD2 4.33Å; F111-Y127 AromaticContact CZ-CG 3.83Å; F111-Y127 HydrophobicContact CZ-CG 3.83Å; V123-Y127 PolarHBondContact O-N 2.94Å; K124-Y127 WeakPolarHBondContact O-CB 3.16Å; K124-Y127 PolarHBondContact O-N 3Å; L125-Y127 VanDerWaalsContact C-N 3.35Å; Y127-L129 VanDerWaalsContact C-N 3.3Å; Y127-L129 PolarHBondContact O-N 3.23Å; Y127-W130 HydrophobicContact CD2-CE3 4.18Å; Y127-W130 HydrophobicContact CE2-CE3 4.01Å; Y127-W130 AromaticContact CE2-CZ3 3.98Å; Y127-W130 HydrophobicContact CE2-CZ3 3.98Å; Y127-W130 WeakPolarHBondContact O-CB 3.44Å; Y127-W130 PolarHBondContact O-N 3.17Å; Y127-M131 HydrophobicContact CE1-CE 4.45Å; Y127-M131 PolarHBondContact O-N 3.48Å; Y127-Y177 HydrophobicContact CD2-CE1 4.15Å; Y127-Y177 HydrophobicContact CD2-CE2 4.09Å; Y127-Y177 AromaticContact CD2-CZ 3.64Å; Y127-Y177 WeakPolarHBondContact CD2-OH 3.39Å; Y127-Y177 HydrophobicContact CG-CE2 4.3Å |
| 128 | Y | 92.5 | Very high | 92.1 | Very high | 132 Ų | 132 | 49.4 Ų | 49.4 | 52% | 0.518 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.5 | -34.6 | 176 | -70.1 | -54.4 | 0 | 0 | 0 | 112.6 | K124 L125 M131 F132 | K124-Y128 HydrophobicContact CB-CE2 4.35Å; K124-Y128 WeakPolarHBondContact O-CD2 3.46Å; K124-Y128 PolarHBondContact O-N 3.05Å; L125-Y128 PolarHBondContact O-N 3.44Å; Y128-M131 HydrophobicContact CD1-CE 3.82Å; Y128-M131 HydrophobicContact CE1-CE 4.11Å; Y128-M131 PolarHBondContact O-N 2.87Å; Y128-F132 VanDerWaalsContact O-CB 3.24Å; Y128-F132 WeakPolarHBondContact O-CB 3.07Å; Y128-F132 PolarHBondContact O-N 3.26Å |
| 129 | L | 94.6 | Very high | 92.9 | Very high | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62 | -45.1 | 172.3 | 173.8 | 62.2 | 0 | 0 | 0 | 111.7 | L125 M126 Y127 M131 F132 H133 Y199 I251 M255 | L125-L129 WeakPolarHBondContact O-CB 3.44Å; L125-L129 PolarHBondContact O-N 2.93Å; M126-L129 WeakPolarHBondContact O-CB 3.38Å; M126-L129 PolarHBondContact O-N 2.96Å; M126-L129 HydrophobicContact SD-CD2 4.24Å; Y127-L129 VanDerWaalsContact C-N 3.3Å; Y127-L129 PolarHBondContact O-N 3.23Å; L129-M131 VanDerWaalsContact C-N 3.32Å; L129-M131 PolarHBondContact O-N 3.42Å; L129-F132 PolarHBondContact O-N 2.96Å; L129-H133 WeakPolarHBondContact O-CB 3.28Å; L129-H133 PolarHBondContact O-N 3.24Å; L129-Y199 WeakPolarHBondContact CD2-OH 3.43Å; L129-I251 HydrophobicContact CD1-CB 3.99Å; L129-I251 HydrophobicContact CD1-CG2 3.79Å; L129-I251 HydrophobicContact CD2-CG2 4.27Å; L129-I251 HydrophobicContact CG-CG2 4.42Å; L129-M255 HydrophobicContact CD2-CG 4.43Å |
| 130 | W | 94.8 | Very high | 93.6 | Very high | 28 Ų | 28 | 44.3 Ų | 44.3 | 11% | 0.106 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59 | -44.7 | 174 | 169.3 | 77.8 | 0 | 0 | 0 | 111.6 | M126 Y127 H133 A134 T169 S172 F173 W176 | M126-W130 PolarHBondContact O-N 2.96Å; Y127-W130 HydrophobicContact CD2-CE3 4.18Å; Y127-W130 HydrophobicContact CE2-CE3 4.01Å; Y127-W130 AromaticContact CE2-CZ3 3.98Å; Y127-W130 HydrophobicContact CE2-CZ3 3.98Å; Y127-W130 WeakPolarHBondContact O-CB 3.44Å; Y127-W130 PolarHBondContact O-N 3.17Å; W130-H133 WeakPolarHBondContact O-CB 3.48Å; W130-H133 PolarHBondContact O-N 3.41Å; W130-A134 PolarHBondContact O-N 2.89Å; W130-T169 HydrophobicContact CZ2-CG2 4.15Å; W130-T169 PolarHBondContact NE1-O 3.26Å; W130-S172 VanDerWaalsContact CD1-OG 3.28Å; W130-S172 PolarHBondContact NE1-OG 2.96Å; W130-S172 VanDerWaalsContact NE1-OG 3.11Å; W130-F173 HydrophobicContact CD2-CD2 4.11Å; W130-F173 AromaticContact CE2-CD2 3.75Å; W130-F173 HydrophobicContact CE3-CD2 4.37Å; W130-F173 AromaticContact CH2-CD2 3.98Å; W130-F173 HydrophobicContact CH2-CD2 3.98Å; W130-F173 HydrophobicContact CZ2-CB 3.86Å; W130-F173 AromaticContact CZ2-CD2 3.69Å; W130-F173 HydrophobicContact CZ2-CD2 3.69Å; W130-F173 HydrophobicContact CZ2-CG 4.08Å; W130-F173 HydrophobicContact CZ3-CD2 4.32Å; W130-W176 HydrophobicContact CB-CH2 3.77Å; W130-W176 HydrophobicContact CB-CZ2 3.71Å; W130-W176 HydrophobicContact CG-CZ2 4.33Å |
| 131 | M | 93.3 | Very high | 94.2 | Very high | 69 Ų | 69 | 44.1 Ų | 44.1 | 34% | 0.34 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.1 | -40.4 | 179.5 | -162.9 | 164.9 | 63.3 | 0 | 0 | 112 | Y127 Y128 L129 H133 A134 V135 | Y127-M131 HydrophobicContact CE1-CE 4.45Å; Y127-M131 PolarHBondContact O-N 3.48Å; Y128-M131 HydrophobicContact CD1-CE 3.82Å; Y128-M131 HydrophobicContact CE1-CE 4.11Å; Y128-M131 PolarHBondContact O-N 2.87Å; L129-M131 VanDerWaalsContact C-N 3.32Å; L129-M131 PolarHBondContact O-N 3.42Å; M131-H133 VanDerWaalsContact C-N 3.32Å; M131-H133 PolarHBondContact O-N 2.84Å; M131-A134 PolarHBondContact O-N 3.45Å; M131-V135 WeakPolarHBondContact O-CG2 2.8Å; M131-V135 PolarHBondContact O-N 3.12Å |
| 132 | F | 95.8 | Very high | 94.7 | Very high | 65 Ų | 65 | 40.3 Ų | 40.3 | 29% | 0.285 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.2 | -42 | 173.8 | 178.3 | -107.4 | 0 | 0 | 0 | 111.8 | Y128 L129 V135 T136 L244 A247 S248 | Y128-F132 VanDerWaalsContact O-CB 3.24Å; Y128-F132 WeakPolarHBondContact O-CB 3.07Å; Y128-F132 PolarHBondContact O-N 3.26Å; L129-F132 PolarHBondContact O-N 2.96Å; F132-V135 PolarHBondContact O-N 3.49Å; F132-T136 WeakPolarHBondContact O-CB 3.43Å; F132-T136 PolarHBondContact O-N 3.31Å; F132-T136 PolarHBondContact O-OG1 2.83Å; F132-L244 WeakPolarHBondContact CE1-O 3.4Å; F132-L244 HydrophobicContact CE2-CD2 3.8Å; F132-L244 HydrophobicContact CZ-CB 4.25Å; F132-L244 HydrophobicContact CZ-CD2 3.65Å; F132-A247 HydrophobicContact CE1-CB 4.15Å; F132-A247 HydrophobicContact CZ-CB 4.17Å; F132-S248 VanDerWaalsContact CD1-OG 3.3Å; F132-S248 WeakPolarHBondContact CD1-OG 3.47Å; F132-S248 WeakPolarHBondContact CE1-OG 2.77Å |
| 133 | H | 95.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.1 | -45.2 | 174.6 | 178.3 | 64.3 | 0 | 0 | 0 | 112.2 | L129 W130 M131 V135 T136 L137 Q202 H206 Q209 | L129-H133 WeakPolarHBondContact O-CB 3.28Å; L129-H133 PolarHBondContact O-N 3.24Å; W130-H133 WeakPolarHBondContact O-CB 3.48Å; W130-H133 PolarHBondContact O-N 3.41Å; M131-H133 VanDerWaalsContact C-N 3.32Å; M131-H133 PolarHBondContact O-N 2.84Å; H133-V135 PolarHBondContact O-N 2.83Å; H133-T136 WeakPolarHBondContact O-CB 3.46Å; H133-T136 PolarHBondContact O-N 3.21Å; H133-L137 PolarHBondContact O-N 3.27Å; H133-Q202 PolarHBondContact NE2-NE2 2.7Å; H133-H206 AromaticContact CD2-NE2 3.95Å; H133-H206 AromaticContact CE1-CD2 3.44Å; H133-H206 PolarHBondContact CE1-CD2 3.45Å; H133-H206 VanDerWaalsContact CE1-CD2 3.44Å; H133-H206 AromaticContact CE1-NE2 3.35Å; H133-H206 PolarHBondContact CE1-NE2 2.97Å; H133-H206 AromaticContact CG-NE2 3.49Å; H133-H206 AromaticContact ND1-CD2 3.41Å; H133-H206 PolarHBondContact ND1-CD2 3.18Å; H133-H206 AromaticContact ND1-NE2 3.11Å; H133-H206 PolarHBondContact ND1-NE2 3.49Å; H133-H206 VanDerWaalsContact ND1-NE2 3.11Å; H133-H206 AromaticContact NE2-NE2 3.87Å; H133-Q209 PolarHBondContact CE1-OE1 3.32Å |
| 134 | A | 95.6 | Very high | 95.4 | Very high | 14 Ų | 14 | 40.2 Ų | 40.2 | 12% | 0.116 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.2 | -42.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | W130 M131 T136 L137 F138 T169 | W130-A134 PolarHBondContact O-N 2.89Å; M131-A134 PolarHBondContact O-N 3.45Å; A134-T136 VanDerWaalsContact C-N 3.34Å; A134-L137 PolarHBondContact O-N 3.23Å; A134-F138 PolarHBondContact O-N 3.21Å; A134-T169 HydrophobicContact CB-CG2 3.91Å |
| 135 | V | 96.4 | Very high | 95.7 | Very high | 75 Ų | 75 | 39.7 Ų | 39.7 | 46% | 0.455 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.3 | -40.7 | 174 | 171.4 | 0 | 0 | 0 | 0 | 111 | M131 F132 H133 F138 L139 | M131-V135 WeakPolarHBondContact O-CG2 2.8Å; M131-V135 PolarHBondContact O-N 3.12Å; F132-V135 PolarHBondContact O-N 3.49Å; H133-V135 PolarHBondContact O-N 2.83Å; V135-F138 WeakPolarHBondContact O-CB 3.22Å; V135-F138 PolarHBondContact O-N 3.27Å; V135-L139 HydrophobicContact CG1-CD1 4.17Å; V135-L139 HydrophobicContact CG1-CG 4.4Å; V135-L139 WeakPolarHBondContact O-CG 3.13Å; V135-L139 PolarHBondContact O-N 2.98Å |
| 136 | T | 97.6 | Very high | 96 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.8 | -42.9 | 177.5 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | F132 H133 A134 F138 L139 N140 L244 F245 | F132-T136 WeakPolarHBondContact O-CB 3.43Å; F132-T136 PolarHBondContact O-N 3.31Å; F132-T136 PolarHBondContact O-OG1 2.83Å; H133-T136 WeakPolarHBondContact O-CB 3.46Å; H133-T136 PolarHBondContact O-N 3.21Å; A134-T136 VanDerWaalsContact C-N 3.34Å; T136-F138 VanDerWaalsContact C-N 3.31Å; T136-F138 PolarHBondContact O-N 2.88Å; T136-L139 PolarHBondContact O-N 3.33Å; T136-N140 VanDerWaalsContact O-CB 3.3Å; T136-N140 WeakPolarHBondContact O-CB 3.45Å; T136-N140 PolarHBondContact O-N 2.93Å; T136-L244 HydrophobicContact CG2-CB 3.63Å; T136-F245 HydrophobicContact CG2-CD1 3.56Å; T136-F245 HydrophobicContact CG2-CD2 4.2Å; T136-F245 HydrophobicContact CG2-CE1 3.58Å; T136-F245 HydrophobicContact CG2-CE2 4.22Å; T136-F245 HydrophobicContact CG2-CG 3.88Å; T136-F245 HydrophobicContact CG2-CZ 3.93Å |
| 137 | L | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.9 | -37.8 | 173.3 | -76.2 | 172.8 | 0 | 0 | 0 | 112.3 | H133 A134 N140 I141 F165 F168 F245 | H133-L137 PolarHBondContact O-N 3.27Å; A134-L137 PolarHBondContact O-N 3.23Å; L137-N140 WeakPolarHBondContact O-CB 3.47Å; L137-N140 PolarHBondContact O-N 3.38Å; L137-I141 PolarHBondContact O-N 2.96Å; L137-F165 HydrophobicContact CB-CB 4.34Å; L137-F165 HydrophobicContact CB-CD2 3.82Å; L137-F168 HydrophobicContact CD1-CB 3.99Å; L137-F245 HydrophobicContact CD2-CE1 4.16Å; L137-F245 HydrophobicContact CD2-CZ 4.22Å |
| 138 | F | 97.5 | Very high | 96.3 | Very high | 97 Ų | 97 | 39.6 Ų | 39.6 | 43% | 0.425 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.3 | -46.4 | 174.8 | 179.1 | -109.4 | 0 | 0 | 0 | 111.9 | A134 V135 T136 N140 I141 F142 F165 | A134-F138 PolarHBondContact O-N 3.21Å; V135-F138 WeakPolarHBondContact O-CB 3.22Å; V135-F138 PolarHBondContact O-N 3.27Å; T136-F138 VanDerWaalsContact C-N 3.31Å; T136-F138 PolarHBondContact O-N 2.88Å; F138-N140 VanDerWaalsContact C-N 3.25Å; F138-N140 PolarHBondContact O-N 2.8Å; F138-I141 WeakPolarHBondContact O-CB 3.24Å; F138-I141 PolarHBondContact O-N 3.47Å; F138-I141 VanDerWaalsContact O-N 3.17Å; F138-F142 AromaticContact CD1-CE2 3.97Å; F138-F142 HydrophobicContact CD1-CE2 3.97Å; F138-F142 HydrophobicContact CD2-CE2 4.38Å; F138-F142 AromaticContact CE1-CE2 3.51Å; F138-F142 HydrophobicContact CE1-CE2 3.51Å; F138-F142 HydrophobicContact CE1-CZ 4.12Å; F138-F142 AromaticContact CE2-CE2 3.95Å; F138-F142 HydrophobicContact CE2-CE2 3.95Å; F138-F142 HydrophobicContact CE2-CZ 4.27Å; F138-F142 HydrophobicContact CG-CE2 4.4Å; F138-F142 AromaticContact CZ-CE2 3.49Å; F138-F142 HydrophobicContact CZ-CE2 3.49Å; F138-F142 VanDerWaalsContact CZ-CE2 3.49Å; F138-F142 AromaticContact CZ-CZ 3.74Å; F138-F142 HydrophobicContact CZ-CZ 3.74Å; F138-F142 WeakPolarHBondContact O-CD2 3.44Å; F138-F165 HydrophobicContact CB-CD2 4.18Å; F138-F165 HydrophobicContact CB-CE2 3.79Å; F138-F165 HydrophobicContact CB-CZ 4.35Å; F138-F165 HydrophobicContact CD2-CE2 4.41Å; F138-F165 HydrophobicContact CD2-CZ 4.16Å |
| 139 | L | 97.8 | Very high | 96.4 | Very high | 66 Ų | 66 | 38 Ų | 38 | 35% | 0.346 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62 | -35.2 | 174.7 | -68.3 | 175.7 | 0 | 0 | 0 | 112.1 | V135 T136 I141 F142 G143 L244 | V135-L139 HydrophobicContact CG1-CD1 4.17Å; V135-L139 HydrophobicContact CG1-CG 4.4Å; V135-L139 WeakPolarHBondContact O-CG 3.13Å; V135-L139 PolarHBondContact O-N 2.98Å; T136-L139 PolarHBondContact O-N 3.33Å; L139-I141 PolarHBondContact O-N 2.99Å; L139-F142 PolarHBondContact O-N 3.21Å; L139-G143 PolarHBondContact O-N 3.42Å; L139-G143 VanDerWaalsContact O-N 3.08Å; L139-L244 HydrophobicContact CD1-CD1 3.73Å |
| 140 | N | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.8 | -32.3 | 175.8 | -178.8 | 73.7 | 0 | 0 | 0 | 112.8 | T136 L137 F138 F142 G143 C144 S161 G217 N218 C219 I241 F245 | T136-N140 VanDerWaalsContact O-CB 3.3Å; T136-N140 WeakPolarHBondContact O-CB 3.45Å; T136-N140 PolarHBondContact O-N 2.93Å; L137-N140 WeakPolarHBondContact O-CB 3.47Å; L137-N140 PolarHBondContact O-N 3.38Å; F138-N140 VanDerWaalsContact C-N 3.25Å; F138-N140 PolarHBondContact O-N 2.8Å; N140-F142 VanDerWaalsContact C-N 3.3Å; N140-F142 PolarHBondContact O-N 3.02Å; N140-G143 PolarHBondContact O-N 2.93Å; N140-C144 WeakPolarHBondContact O-CB 3.41Å; N140-C144 PolarHBondContact O-N 2.87Å; N140-S161 WeakPolarHBondContact ND2-CB 3.37Å; N140-G217 PolarHBondContact ND2-O 2.64Å; N140-N218 WeakPolarHBondContact OD1-CA 3.3Å; N140-C219 PolarHBondContact OD1-N 3.23Å; N140-I241 HydrophobicContact CB-CG2 4.05Å; N140-F245 HydrophobicContact CB-CE2 4.03Å; N140-F245 HydrophobicContact CB-CZ 3.85Å |
| 141 | I | 98.1 | Very high | 96.3 | Very high | 23 Ų | 23 | 41.3 Ų | 41.3 | 12% | 0.118 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59 | -44 | 173.1 | -63.2 | 169.9 | 0 | 0 | 0 | 110.7 | L137 F138 L139 C144 L145 F158 I162 F165 | L137-I141 PolarHBondContact O-N 2.96Å; F138-I141 WeakPolarHBondContact O-CB 3.24Å; F138-I141 PolarHBondContact O-N 3.47Å; F138-I141 VanDerWaalsContact O-N 3.17Å; L139-I141 PolarHBondContact O-N 2.99Å; I141-C144 PolarHBondContact O-N 3.33Å; I141-L145 VanDerWaalsContact O-CB 3.22Å; I141-L145 WeakPolarHBondContact O-CB 3.3Å; I141-L145 PolarHBondContact O-N 2.8Å; I141-F158 HydrophobicContact CG2-CD2 4.46Å; I141-F158 HydrophobicContact CG2-CE2 3.83Å; I141-I162 HydrophobicContact CD1-CG1 4.31Å; I141-I162 HydrophobicContact CG1-CG1 4.26Å; I141-I162 HydrophobicContact CG2-CG1 3.95Å; I141-F165 HydrophobicContact CD1-CB 3.79Å; I141-F165 HydrophobicContact CD1-CD1 3.86Å; I141-F165 HydrophobicContact CD1-CG 3.85Å; I141-F165 HydrophobicContact CG1-CB 4.37Å |
| 142 | F | 97.5 | Very high | 96.3 | Very high | 99 Ų | 99 | 42.5 Ų | 42.5 | 43% | 0.434 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -69.6 | -37.1 | 178.3 | -61.3 | -80.8 | 0 | 0 | 0 | 112.2 | F138 L139 N140 L145 A146 | F138-F142 AromaticContact CD1-CE2 3.97Å; F138-F142 HydrophobicContact CD1-CE2 3.97Å; F138-F142 HydrophobicContact CD2-CE2 4.38Å; F138-F142 AromaticContact CE1-CE2 3.51Å; F138-F142 HydrophobicContact CE1-CE2 3.51Å; F138-F142 HydrophobicContact CE1-CZ 4.12Å; F138-F142 AromaticContact CE2-CE2 3.95Å; F138-F142 HydrophobicContact CE2-CE2 3.95Å; F138-F142 HydrophobicContact CE2-CZ 4.27Å; F138-F142 HydrophobicContact CG-CE2 4.4Å; F138-F142 AromaticContact CZ-CE2 3.49Å; F138-F142 HydrophobicContact CZ-CE2 3.49Å; F138-F142 VanDerWaalsContact CZ-CE2 3.49Å; F138-F142 AromaticContact CZ-CZ 3.74Å; F138-F142 HydrophobicContact CZ-CZ 3.74Å; F138-F142 WeakPolarHBondContact O-CD2 3.44Å; L139-F142 PolarHBondContact O-N 3.21Å; N140-F142 VanDerWaalsContact C-N 3.3Å; N140-F142 PolarHBondContact O-N 3.02Å; F142-L145 PolarHBondContact O-N 3.41Å; F142-A146 WeakPolarHBondContact O-CB 3.43Å; F142-A146 PolarHBondContact O-N 3.37Å |
| 143 | G | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.8 | -49.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L139 N140 A146 W147 | L139-G143 PolarHBondContact O-N 3.42Å; L139-G143 VanDerWaalsContact O-N 3.08Å; N140-G143 PolarHBondContact O-N 2.93Å; G143-A146 PolarHBondContact O-N 2.89Å; G143-W147 WeakPolarHBondContact O-CB 3.48Å; G143-W147 PolarHBondContact O-N 3.38Å |
| 144 | C | 96.9 | Very high | 96 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.02 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.5 | -34.9 | 177.9 | -69.7 | 0 | 0 | 0 | 0 | 112.5 | N140 I141 W147 F148 F158 C219 | N140-C144 WeakPolarHBondContact O-CB 3.41Å; N140-C144 PolarHBondContact O-N 2.87Å; I141-C144 PolarHBondContact O-N 3.33Å; C144-W147 PolarHBondContact O-N 3.41Å; C144-F148 WeakPolarHBondContact O-CB 3.43Å; C144-F148 PolarHBondContact O-N 3.26Å; C144-F158 HydrophobicContact CB-CB 4.39Å; C144-C219 PolarHBondContact N-SG 3.13Å; C144-C219 VanDerWaalsContact N-SG 3.44Å |
| 145 | L | 97.4 | Very high | 95.9 | Very high | 61 Ų | 61 | 44.8 Ų | 44.8 | 32% | 0.319 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.2 | -49.4 | 173.9 | 176.8 | 58.5 | 0 | 0 | 0 | 111.1 | I141 F142 W147 F148 C149 F158 | I141-L145 VanDerWaalsContact O-CB 3.22Å; I141-L145 WeakPolarHBondContact O-CB 3.3Å; I141-L145 PolarHBondContact O-N 2.8Å; F142-L145 PolarHBondContact O-N 3.41Å; L145-W147 VanDerWaalsContact C-N 3.26Å; L145-W147 PolarHBondContact O-N 3.02Å; L145-F148 HydrophobicContact CD1-CD1 4.41Å; L145-F148 WeakPolarHBondContact O-CB 3.28Å; L145-F148 PolarHBondContact O-N 2.71Å; L145-C149 PolarHBondContact O-N 3.44Å; L145-C149 PolarHBondContact O-SG 2.88Å; L145-F158 HydrophobicContact CB-CD2 3.77Å; L145-F158 HydrophobicContact CB-CE2 3.67Å; L145-F158 HydrophobicContact CB-CZ 4.48Å; L145-F158 HydrophobicContact CD1-CD2 4.24Å; L145-F158 HydrophobicContact CD1-CE1 4.21Å; L145-F158 HydrophobicContact CD1-CE2 3.86Å; L145-F158 HydrophobicContact CD1-CZ 3.83Å; L145-F158 HydrophobicContact CD2-CE2 4.5Å; L145-F158 HydrophobicContact CG-CE2 4.2Å |
| 146 | A | 96.4 | Very high | 95.9 | Very high | 20 Ų | 20 | 45.1 Ų | 45.1 | 17% | 0.165 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.1 | -36.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | F142 G143 C149 V150 V234 M237 | F142-A146 WeakPolarHBondContact O-CB 3.43Å; F142-A146 PolarHBondContact O-N 3.37Å; G143-A146 PolarHBondContact O-N 2.89Å; A146-C149 PolarHBondContact O-N 3.32Å; A146-V150 PolarHBondContact O-N 3.14Å; A146-V234 HydrophobicContact CB-CG1 4.05Å; A146-V234 HydrophobicContact CB-CG2 4.16Å; A146-M237 HydrophobicContact CB-CE 3.16Å; A146-M237 HydrophobicContact CB-SD 4.36Å |
| 147 | W | 95.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 174.3 | -166.4 | -127.8 | 0 | 0 | 0 | 112.3 | G143 C144 L145 C149 V150 D151 R154 T226 Q230 V234 M238 | G143-W147 WeakPolarHBondContact O-CB 3.48Å; G143-W147 PolarHBondContact O-N 3.38Å; C144-W147 PolarHBondContact O-N 3.41Å; L145-W147 VanDerWaalsContact C-N 3.26Å; L145-W147 PolarHBondContact O-N 3.02Å; W147-C149 VanDerWaalsContact C-N 3.31Å; W147-C149 PolarHBondContact O-N 3.33Å; W147-V150 HydrophobicContact CZ3-CG1 4.43Å; W147-V150 PolarHBondContact O-N 3.48Å; W147-V150 VanDerWaalsContact O-N 3.16Å; W147-D151 PolarHBondContact O-N 2.99Å; W147-R154 VanDerWaalsContact CD1-CG 3.49Å; W147-R154 HydrophobicContact CG-CB 4.42Å; W147-R154 HydrophobicContact CG-CG 4.31Å; W147-R154 VanDerWaalsContact NE1-CZ 3.32Å; W147-T226 HydrophobicContact CZ2-CG2 4.08Å; W147-Q230 HydrophobicContact CH2-CB 3.79Å; W147-Q230 HydrophobicContact CH2-CG 3.93Å; W147-Q230 HydrophobicContact CZ3-CB 4.12Å; W147-V234 HydrophobicContact CB-CG1 4.24Å; W147-V234 HydrophobicContact CE3-CB 4.39Å; W147-V234 HydrophobicContact CE3-CG1 3.66Å; W147-V234 HydrophobicContact CZ3-CG1 4.48Å; W147-M238 HydrophobicContact CB-CE 4.44Å; W147-M238 HydrophobicContact CB-SD 4.14Å; W147-M238 HydrophobicContact CD2-CE 4.12Å; W147-M238 HydrophobicContact CD2-SD 3.78Å; W147-M238 HydrophobicContact CE3-SD 3.81Å; W147-M238 HydrophobicContact CG-CE 4Å; W147-M238 HydrophobicContact CG-SD 3.96Å |
| 148 | F | 96.3 | Very high | 95.8 | Very high | 70 Ų | 70 | 47.6 Ų | 47.6 | 31% | 0.307 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.9 | -34.2 | 172.2 | 170.3 | -124.9 | 0 | 0 | 0 | 113.2 | C144 L145 V150 D151 A155 F158 | C144-F148 WeakPolarHBondContact O-CB 3.43Å; C144-F148 PolarHBondContact O-N 3.26Å; L145-F148 HydrophobicContact CD1-CD1 4.41Å; L145-F148 WeakPolarHBondContact O-CB 3.28Å; L145-F148 PolarHBondContact O-N 2.71Å; F148-V150 PolarHBondContact O-N 3.34Å; F148-D151 CarbonylContact O-C 3.33Å; F148-A155 HydrophobicContact CD2-CB 3.78Å; F148-A155 HydrophobicContact CE2-CB 3.54Å; F148-A155 HydrophobicContact CZ-CB 4.21Å; F148-F158 HydrophobicContact CB-CB 4.15Å; F148-F158 HydrophobicContact CD1-CD1 4.26Å |
| 149 | C | 95.5 | Very high | 95.7 | Very high | 100 Ų | 100 | 44.8 Ų | 44.8 | 68% | 0.676 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -67.7 | -22.4 | 174.8 | -66.8 | 0 | 0 | 0 | 0 | 113.6 | L145 A146 W147 | L145-C149 PolarHBondContact O-N 3.44Å; L145-C149 PolarHBondContact O-SG 2.88Å; A146-C149 PolarHBondContact O-N 3.32Å; W147-C149 VanDerWaalsContact C-N 3.31Å; W147-C149 PolarHBondContact O-N 3.33Å |
| 150 | V | 94.9 | Very high | 95.7 | Very high | 58 Ų | 58 | 43.5 Ų | 43.5 | 35% | 0.352 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -88.4 | -43 | 175.5 | 174.6 | 0 | 0 | 0 | 0 | 111 | A146 W147 F148 N231 V234 | A146-V150 PolarHBondContact O-N 3.14Å; W147-V150 HydrophobicContact CZ3-CG1 4.43Å; W147-V150 PolarHBondContact O-N 3.48Å; W147-V150 VanDerWaalsContact O-N 3.16Å; F148-V150 PolarHBondContact O-N 3.34Å; V150-N231 HydrophobicContact CG1-CB 3.9Å; V150-N231 HydrophobicContact CG2-CB 3.9Å; V150-V234 HydrophobicContact CG2-CB 4.41Å; V150-V234 HydrophobicContact CG2-CG2 3.74Å |
| 151 | D | 92.7 | Very high | 95.6 | Very high | 44 Ų | 44 | 43.5 Ų | 43.5 | 24% | 0.235 | 27% | 0.266 | C | S | . | . | trans | -132.5 | 110.6 | -179.2 | 178.1 | 5.7 | 0 | 0 | 0 | 110.6 | W147 F148 A153 R154 | W147-D151 PolarHBondContact O-N 2.99Å; F148-D151 CarbonylContact O-C 3.33Å; D151-A153 PolarHBondContact O-N 3.31Å; D151-A153 VanDerWaalsContact O-N 3.13Å; D151-A153 VanDerWaalsContact OD1-CB 3.23Å; D151-A153 WeakPolarHBondContact OD1-CB 3.2Å; D151-A153 PolarHBondContact OD1-N 2.87Å; D151-R154 HydrophobicContact CB-CG 3.86Å; D151-R154 VanDerWaalsContact O-CB 3.27Å; D151-R154 WeakPolarHBondContact O-CB 3.49Å; D151-R154 WeakPolarHBondContact O-CG 3.49Å; D151-R154 PolarHBondContact O-N 3.48Å | ||
| 152 | S | 92.7 | Very high | 95.6 | Very high | 94 Ų | 94 | 45.2 Ų | 45.2 | 66% | 0.657 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -62 | -21.7 | -179.5 | 55.7 | 0 | 0 | 0 | 0 | 113.7 | R154 A155 | S152-R154 PolarHBondContact O-N 3.27Å; S152-R154 VanDerWaalsContact O-N 3.13Å; S152-A155 PolarHBondContact O-N 3.42Å |
| 153 | A | 91.8 | Very high | 95.6 | Very high | 67 Ų | 67 | 44.4 Ų | 44.4 | 55% | 0.554 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -63.9 | -15.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D151 A155 | D151-A153 PolarHBondContact O-N 3.31Å; D151-A153 VanDerWaalsContact O-N 3.13Å; D151-A153 VanDerWaalsContact OD1-CB 3.23Å; D151-A153 WeakPolarHBondContact OD1-CB 3.2Å; D151-A153 PolarHBondContact OD1-N 2.87Å; A153-A155 VanDerWaalsContact C-N 3.31Å; A153-A155 PolarHBondContact O-N 2.64Å |
| 154 | R | 93.1 | Very high | 95.5 | Very high | 17 Ų | 17 | 46.2 Ų | 46.2 | 6% | 0.064 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -90.1 | 11 | -178.7 | -51.4 | -57 | -142.5 | 140.5 | 16.1 | 114 | W147 D151 S152 V156 D157 F158 | W147-R154 VanDerWaalsContact CD1-CG 3.49Å; W147-R154 HydrophobicContact CG-CB 4.42Å; W147-R154 HydrophobicContact CG-CG 4.31Å; W147-R154 VanDerWaalsContact NE1-CZ 3.32Å; D151-R154 HydrophobicContact CB-CG 3.86Å; D151-R154 VanDerWaalsContact O-CB 3.27Å; D151-R154 WeakPolarHBondContact O-CB 3.49Å; D151-R154 WeakPolarHBondContact O-CG 3.49Å; D151-R154 PolarHBondContact O-N 3.48Å; S152-R154 PolarHBondContact O-N 3.27Å; S152-R154 VanDerWaalsContact O-N 3.13Å; R154-V156 PolarHBondContact O-N 3.04Å; R154-D157 IonicContact CZ-OD2 3.61Å; R154-D157 IonicContact NE-OD2 3.97Å; R154-D157 IonicContact NH1-OD2 2.81Å; R154-D157 PolarHBondContact NH1-OD2 3.37Å; R154-D157 WeakPolarHBondContact O-CB 3.41Å; R154-D157 PolarHBondContact O-N 3.02Å; R154-F158 PolarHBondContact O-N 3.45Å |
| 155 | A | 94.3 | Very high | 95.4 | Very high | 44 Ų | 44 | 48.5 Ų | 48.5 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -54.4 | -36 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F148 S152 A153 F158 G159 | F148-A155 HydrophobicContact CD2-CB 3.78Å; F148-A155 HydrophobicContact CE2-CB 3.54Å; F148-A155 HydrophobicContact CZ-CB 4.21Å; S152-A155 PolarHBondContact O-N 3.42Å; A153-A155 VanDerWaalsContact C-N 3.31Å; A153-A155 PolarHBondContact O-N 2.64Å; A155-F158 PolarHBondContact O-N 3.32Å; A155-G159 PolarHBondContact O-N 3.38Å |
| 156 | V | 95.3 | Very high | 95.3 | Very high | 81 Ų | 81 | 51 Ų | 51 | 49% | 0.491 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 177.3 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | R154 F158 G159 L160 | R154-V156 PolarHBondContact O-N 3.04Å; V156-F158 VanDerWaalsContact C-N 3.32Å; V156-F158 PolarHBondContact O-N 3.05Å; V156-G159 PolarHBondContact O-N 3.29Å; V156-L160 HydrophobicContact CG1-CD1 3.82Å; V156-L160 HydrophobicContact CG1-CG 4.26Å; V156-L160 WeakPolarHBondContact O-CB 3.41Å; V156-L160 VanDerWaalsContact O-CG 3.3Å; V156-L160 WeakPolarHBondContact O-CG 3.2Å; V156-L160 PolarHBondContact O-N 2.89Å |
| 157 | D | 95.4 | Very high | 95.2 | Very high | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.016 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 177.2 | -74 | -49.4 | 0 | 0 | 0 | 111 | R154 S161 N215 W216 G217 | R154-D157 IonicContact CZ-OD2 3.61Å; R154-D157 IonicContact NE-OD2 3.97Å; R154-D157 IonicContact NH1-OD2 2.81Å; R154-D157 PolarHBondContact NH1-OD2 3.37Å; R154-D157 WeakPolarHBondContact O-CB 3.41Å; R154-D157 PolarHBondContact O-N 3.02Å; D157-S161 WeakPolarHBondContact O-CB 3.35Å; D157-S161 PolarHBondContact O-N 3Å; D157-N215 WeakPolarHBondContact OD1-CA 3.45Å; D157-N215 PolarHBondContact OD1-N 3.49Å; D157-N215 VanDerWaalsContact OD1-N 3.11Å; D157-W216 PolarHBondContact OD1-N 2.84Å; D157-G217 WeakPolarHBondContact O-CA 3.26Å; D157-G217 PolarHBondContact OD1-N 2.85Å |
| 158 | F | 97.1 | Very high | 95 | Very high | 50 Ų | 50 | 55.1 Ų | 55.1 | 22% | 0.219 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.4 | -49.7 | 175 | 175.7 | -121.7 | 0 | 0 | 0 | 112.6 | I141 C144 L145 F148 R154 A155 V156 L160 S161 I162 | I141-F158 HydrophobicContact CG2-CD2 4.46Å; I141-F158 HydrophobicContact CG2-CE2 3.83Å; C144-F158 HydrophobicContact CB-CB 4.39Å; L145-F158 HydrophobicContact CB-CD2 3.77Å; L145-F158 HydrophobicContact CB-CE2 3.67Å; L145-F158 HydrophobicContact CB-CZ 4.48Å; L145-F158 HydrophobicContact CD1-CD2 4.24Å; L145-F158 HydrophobicContact CD1-CE1 4.21Å; L145-F158 HydrophobicContact CD1-CE2 3.86Å; L145-F158 HydrophobicContact CD1-CZ 3.83Å; L145-F158 HydrophobicContact CD2-CE2 4.5Å; L145-F158 HydrophobicContact CG-CE2 4.2Å; F148-F158 HydrophobicContact CB-CB 4.15Å; F148-F158 HydrophobicContact CD1-CD1 4.26Å; R154-F158 PolarHBondContact O-N 3.45Å; A155-F158 PolarHBondContact O-N 3.32Å; V156-F158 VanDerWaalsContact C-N 3.32Å; V156-F158 PolarHBondContact O-N 3.05Å; F158-L160 VanDerWaalsContact C-N 3.35Å; F158-L160 PolarHBondContact O-N 3.19Å; F158-S161 PolarHBondContact O-N 2.85Å; F158-S161 PolarHBondContact O-OG 3.45Å; F158-I162 HydrophobicContact CD2-CD1 4.38Å; F158-I162 HydrophobicContact CE1-CD1 4.03Å; F158-I162 HydrophobicContact CE2-CD1 3.8Å; F158-I162 HydrophobicContact CE2-CG1 4.3Å; F158-I162 HydrophobicContact CZ-CD1 3.61Å; F158-I162 PolarHBondContact O-N 3.46Å |
| 159 | G | 96.4 | Very high | 94.8 | Very high | 38 Ų | 38 | 53 Ų | 53 | 39% | 0.392 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.3 | -43.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | A155 V156 I162 L163 | A155-G159 PolarHBondContact O-N 3.38Å; V156-G159 PolarHBondContact O-N 3.29Å; G159-I162 PolarHBondContact O-N 3.39Å; G159-L163 PolarHBondContact O-N 3.39Å; G159-L163 VanDerWaalsContact O-N 3.1Å |
| 160 | L | 96.8 | Very high | 94.5 | Very high | 39 Ų | 39 | 51.6 Ų | 51.6 | 20% | 0.204 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.4 | -36.9 | 176.4 | -73.6 | 176.7 | 0 | 0 | 0 | 112.3 | V156 F158 I162 L163 W164 N215 | V156-L160 HydrophobicContact CG1-CD1 3.82Å; V156-L160 HydrophobicContact CG1-CG 4.26Å; V156-L160 WeakPolarHBondContact O-CB 3.41Å; V156-L160 VanDerWaalsContact O-CG 3.3Å; V156-L160 WeakPolarHBondContact O-CG 3.2Å; V156-L160 PolarHBondContact O-N 2.89Å; F158-L160 VanDerWaalsContact C-N 3.35Å; F158-L160 PolarHBondContact O-N 3.19Å; L160-I162 VanDerWaalsContact C-N 3.28Å; L160-I162 PolarHBondContact O-N 3.04Å; L160-L163 HydrophobicContact CD2-CD2 4.08Å; L160-L163 PolarHBondContact O-N 3.34Å; L160-W164 HydrophobicContact CD2-CZ2 4.09Å; L160-W164 WeakPolarHBondContact O-CB 3.33Å; L160-W164 PolarHBondContact O-N 3.03Å; L160-N215 WeakPolarHBondContact CD1-O 3.35Å |
| 161 | S | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59 | -39.8 | 177.1 | 75.5 | 0 | 0 | 0 | 0 | 112.5 | N140 D157 F158 F165 G217 | N140-S161 WeakPolarHBondContact ND2-CB 3.37Å; D157-S161 WeakPolarHBondContact O-CB 3.35Å; D157-S161 PolarHBondContact O-N 3Å; F158-S161 PolarHBondContact O-N 2.85Å; F158-S161 PolarHBondContact O-OG 3.45Å; S161-F165 WeakPolarHBondContact O-CB 3.36Å; S161-F165 PolarHBondContact O-N 3.49Å; S161-G217 WeakPolarHBondContact CB-O 3.26Å |
| 162 | I | 97.7 | Very high | 94.2 | Very high | 60 Ų | 60 | 49.4 Ų | 49.4 | 31% | 0.308 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.8 | -47.5 | 176.2 | -63.1 | 167.7 | 0 | 0 | 0 | 110.1 | I141 F158 G159 L160 W164 F165 L166 | I141-I162 HydrophobicContact CD1-CG1 4.31Å; I141-I162 HydrophobicContact CG1-CG1 4.26Å; I141-I162 HydrophobicContact CG2-CG1 3.95Å; F158-I162 HydrophobicContact CD2-CD1 4.38Å; F158-I162 HydrophobicContact CE1-CD1 4.03Å; F158-I162 HydrophobicContact CE2-CD1 3.8Å; F158-I162 HydrophobicContact CE2-CG1 4.3Å; F158-I162 HydrophobicContact CZ-CD1 3.61Å; F158-I162 PolarHBondContact O-N 3.46Å; G159-I162 PolarHBondContact O-N 3.39Å; L160-I162 VanDerWaalsContact C-N 3.28Å; L160-I162 PolarHBondContact O-N 3.04Å; I162-W164 VanDerWaalsContact C-N 3.31Å; I162-W164 PolarHBondContact O-N 2.9Å; I162-F165 PolarHBondContact O-N 3.47Å; I162-L166 HydrophobicContact CG2-CD1 4.04Å; I162-L166 HydrophobicContact CG2-CG 4.44Å; I162-L166 WeakPolarHBondContact O-CG 3.32Å; I162-L166 PolarHBondContact O-N 3.44Å |
| 163 | L | 96.6 | Very high | 94.1 | Very high | 81 Ų | 81 | 46.5 Ų | 46.5 | 42% | 0.424 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -56.2 | -46.9 | 177.2 | 177.8 | 65.6 | 0 | 0 | 0 | 111.2 | G159 L160 L166 L167 | G159-L163 PolarHBondContact O-N 3.39Å; G159-L163 VanDerWaalsContact O-N 3.1Å; L160-L163 HydrophobicContact CD2-CD2 4.08Å; L160-L163 PolarHBondContact O-N 3.34Å; L163-L166 PolarHBondContact O-N 3.37Å; L163-L167 WeakPolarHBondContact O-CB 3.48Å; L163-L167 PolarHBondContact O-N 3.1Å |
| 164 | W | 95.1 | Very high | 93.9 | Very high | 38 Ų | 38 | 47.5 Ų | 47.5 | 14% | 0.144 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 179.1 | -63 | 143.1 | 0 | 0 | 0 | 112.6 | L160 I162 L166 L167 F168 W216 | L160-W164 HydrophobicContact CD2-CZ2 4.09Å; L160-W164 WeakPolarHBondContact O-CB 3.33Å; L160-W164 PolarHBondContact O-N 3.03Å; I162-W164 VanDerWaalsContact C-N 3.31Å; I162-W164 PolarHBondContact O-N 2.9Å; W164-L166 PolarHBondContact O-N 3.29Å; W164-L167 PolarHBondContact O-N 3.43Å; W164-F168 HydrophobicContact CB-CD2 3.77Å; W164-F168 HydrophobicContact CB-CE2 3.9Å; W164-F168 HydrophobicContact CD2-CD2 4.39Å; W164-F168 AromaticContact CD2-CE2 3.68Å; W164-F168 HydrophobicContact CD2-CE2 3.68Å; W164-F168 AromaticContact CD2-CZ 3.98Å; W164-F168 HydrophobicContact CD2-CZ 3.98Å; W164-F168 HydrophobicContact CE3-CD2 4.25Å; W164-F168 HydrophobicContact CE3-CE1 4.05Å; W164-F168 AromaticContact CE3-CE2 3.58Å; W164-F168 HydrophobicContact CE3-CE2 3.58Å; W164-F168 AromaticContact CE3-CZ 3.45Å; W164-F168 HydrophobicContact CE3-CZ 3.45Å; W164-F168 VanDerWaalsContact CE3-CZ 3.45Å; W164-F168 HydrophobicContact CG-CD2 4.22Å; W164-F168 AromaticContact CG-CE2 3.82Å; W164-F168 HydrophobicContact CG-CE2 3.82Å; W164-F168 HydrophobicContact CZ3-CE1 4.33Å; W164-F168 HydrophobicContact CZ3-CE2 4.4Å; W164-F168 AromaticContact CZ3-CZ 3.85Å; W164-F168 HydrophobicContact CZ3-CZ 3.85Å; W164-F168 WeakPolarHBondContact O-CA 3.4Å; W164-F168 VanDerWaalsContact O-CB 3.22Å; W164-F168 WeakPolarHBondContact O-CB 3.18Å; W164-F168 PolarHBondContact O-N 2.94Å; W164-W216 PolarHBondContact NE1-O 2.93Å |
| 165 | F | 96.3 | Very high | 93.6 | Very high | 52 Ų | 52 | 48.9 Ų | 48.9 | 23% | 0.228 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 173.4 | 173.3 | -108.6 | 0 | 0 | 0 | 111.7 | L137 F138 I141 S161 I162 T169 | L137-F165 HydrophobicContact CB-CB 4.34Å; L137-F165 HydrophobicContact CB-CD2 3.82Å; F138-F165 HydrophobicContact CB-CD2 4.18Å; F138-F165 HydrophobicContact CB-CE2 3.79Å; F138-F165 HydrophobicContact CB-CZ 4.35Å; F138-F165 HydrophobicContact CD2-CE2 4.41Å; F138-F165 HydrophobicContact CD2-CZ 4.16Å; I141-F165 HydrophobicContact CD1-CB 3.79Å; I141-F165 HydrophobicContact CD1-CD1 3.86Å; I141-F165 HydrophobicContact CD1-CG 3.85Å; I141-F165 HydrophobicContact CG1-CB 4.37Å; S161-F165 WeakPolarHBondContact O-CB 3.36Å; S161-F165 PolarHBondContact O-N 3.49Å; I162-F165 PolarHBondContact O-N 3.47Å; F165-T169 WeakPolarHBondContact O-CB 3.44Å; F165-T169 PolarHBondContact O-N 3.2Å; F165-T169 PolarHBondContact O-OG1 2.93Å |
| 166 | L | 94.6 | Very high | 93.5 | Very high | 112 Ų | 112 | 46.9 Ų | 46.9 | 59% | 0.586 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -71.3 | -31.8 | -178.5 | -67 | 179.4 | 0 | 0 | 0 | 113.4 | I162 L163 W164 P170 | I162-L166 HydrophobicContact CG2-CD1 4.04Å; I162-L166 HydrophobicContact CG2-CG 4.44Å; I162-L166 WeakPolarHBondContact O-CG 3.32Å; I162-L166 PolarHBondContact O-N 3.44Å; L163-L166 PolarHBondContact O-N 3.37Å; W164-L166 PolarHBondContact O-N 3.29Å; L166-P170 WeakPolarHBondContact O-CD 3.48Å; L166-P170 WeakPolarHBondContact O-CG 3.33Å |
| 167 | L | 93.3 | Very high | 93.3 | Very high | 80 Ų | 80 | 43 Ų | 43 | 42% | 0.419 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -87.6 | -52.2 | -178.4 | -173.2 | 150.6 | 0 | 0 | 0 | 111.8 | L163 W164 P170 C171 | L163-L167 WeakPolarHBondContact O-CB 3.48Å; L163-L167 PolarHBondContact O-N 3.1Å; W164-L167 PolarHBondContact O-N 3.43Å; L167-P170 WeakPolarHBondContact O-CD 3.49Å; L167-C171 WeakPolarHBondContact O-CB 3.42Å; L167-C171 PolarHBondContact O-N 3.21Å; L167-C171 VanDerWaalsContact O-N 3.13Å |
| 168 | F | 91.9 | Very high | 92.9 | Very high | 30 Ų | 30 | 47.4 Ų | 47.4 | 13% | 0.132 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -72.4 | -31.1 | -174.4 | -65.6 | -33 | 0 | 0 | 0 | 112.8 | L137 W164 S172 V205 | L137-F168 HydrophobicContact CD1-CB 3.99Å; W164-F168 HydrophobicContact CB-CD2 3.77Å; W164-F168 HydrophobicContact CB-CE2 3.9Å; W164-F168 HydrophobicContact CD2-CD2 4.39Å; W164-F168 AromaticContact CD2-CE2 3.68Å; W164-F168 HydrophobicContact CD2-CE2 3.68Å; W164-F168 AromaticContact CD2-CZ 3.98Å; W164-F168 HydrophobicContact CD2-CZ 3.98Å; W164-F168 HydrophobicContact CE3-CD2 4.25Å; W164-F168 HydrophobicContact CE3-CE1 4.05Å; W164-F168 AromaticContact CE3-CE2 3.58Å; W164-F168 HydrophobicContact CE3-CE2 3.58Å; W164-F168 AromaticContact CE3-CZ 3.45Å; W164-F168 HydrophobicContact CE3-CZ 3.45Å; W164-F168 VanDerWaalsContact CE3-CZ 3.45Å; W164-F168 HydrophobicContact CG-CD2 4.22Å; W164-F168 AromaticContact CG-CE2 3.82Å; W164-F168 HydrophobicContact CG-CE2 3.82Å; W164-F168 HydrophobicContact CZ3-CE1 4.33Å; W164-F168 HydrophobicContact CZ3-CE2 4.4Å; W164-F168 AromaticContact CZ3-CZ 3.85Å; W164-F168 HydrophobicContact CZ3-CZ 3.85Å; W164-F168 WeakPolarHBondContact O-CA 3.4Å; W164-F168 VanDerWaalsContact O-CB 3.22Å; W164-F168 WeakPolarHBondContact O-CB 3.18Å; W164-F168 PolarHBondContact O-N 2.94Å; F168-S172 WeakPolarHBondContact O-CB 3.29Å; F168-S172 PolarHBondContact O-N 3.17Å; F168-S172 PolarHBondContact O-OG 2.9Å; F168-V205 HydrophobicContact CD2-CG1 4.47Å; F168-V205 HydrophobicContact CE2-CG1 4.16Å; F168-V205 HydrophobicContact CZ-CG1 4.42Å |
| 169 | T | 91.6 | Very high | 92.6 | Very high | 24 Ų | 24 | 46.1 Ų | 46.1 | 15% | 0.147 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.4 | -55.2 | 178.7 | -57 | 0 | 0 | 0 | 0 | 113.1 | W130 A134 F165 S172 F173 | W130-T169 HydrophobicContact CZ2-CG2 4.15Å; W130-T169 PolarHBondContact NE1-O 3.26Å; A134-T169 HydrophobicContact CB-CG2 3.91Å; F165-T169 WeakPolarHBondContact O-CB 3.44Å; F165-T169 PolarHBondContact O-N 3.2Å; F165-T169 PolarHBondContact O-OG1 2.93Å; T169-S172 PolarHBondContact O-OG 3.2Å; T169-F173 PolarHBondContact O-N 2.88Å |
| 170 | P | 90.2 | Very high | 92.3 | Very high | 71 Ų | 71 | 44.3 Ų | 44.3 | 46% | 0.461 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -71.9 | -36.7 | 176.7 | 28.1 | -34.7 | 0 | 0 | 0 | 112.6 | L166 L167 F173 V174 | L166-P170 WeakPolarHBondContact O-CD 3.48Å; L166-P170 WeakPolarHBondContact O-CG 3.33Å; L167-P170 WeakPolarHBondContact O-CD 3.49Å; P170-F173 PolarHBondContact O-N 3.47Å; P170-V174 WeakPolarHBondContact O-CG2 3.35Å; P170-V174 PolarHBondContact O-N 2.97Å |
| 171 | C | 90.3 | Very high | 91.9 | Very high | 55 Ų | 55 | 42.9 Ų | 42.9 | 37% | 0.372 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62 | -48.3 | 178.3 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | L167 F173 V174 C175 | L167-C171 WeakPolarHBondContact O-CB 3.42Å; L167-C171 PolarHBondContact O-N 3.21Å; L167-C171 VanDerWaalsContact O-N 3.13Å; C171-F173 VanDerWaalsContact C-N 3.3Å; C171-F173 PolarHBondContact O-N 3.44Å; C171-V174 PolarHBondContact O-N 3.38Å; C171-C175 WeakPolarHBondContact O-CB 3.23Å; C171-C175 PolarHBondContact O-N 2.97Å; C171-C175 PolarHBondContact O-SG 3.03Å; C171-C175 VanDerWaalsContact SG-SG 3.61Å |
| 172 | S | 91 | Very high | 91.3 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.014 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.4 | -39.4 | 177.8 | 62.5 | 0 | 0 | 0 | 0 | 112.3 | W130 F168 T169 W176 Y177 | W130-S172 VanDerWaalsContact CD1-OG 3.28Å; W130-S172 PolarHBondContact NE1-OG 2.96Å; W130-S172 VanDerWaalsContact NE1-OG 3.11Å; F168-S172 WeakPolarHBondContact O-CB 3.29Å; F168-S172 PolarHBondContact O-N 3.17Å; F168-S172 PolarHBondContact O-OG 2.9Å; T169-S172 PolarHBondContact O-OG 3.2Å; S172-W176 VanDerWaalsContact CB-NE1 3.28Å; S172-W176 PolarHBondContact O-N 3.27Å; S172-W176 PolarHBondContact O-NE1 2.99Å; S172-Y177 PolarHBondContact O-N 3.47Å |
| 173 | F | 89.6 | Confident | 90.8 | Very high | 32 Ų | 32 | 40.5 Ų | 40.5 | 14% | 0.14 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -61.9 | -48.3 | 176.4 | -175.8 | -101.5 | 0 | 0 | 0 | 112.1 | W130 T169 P170 C171 Y177 R178 | W130-F173 HydrophobicContact CD2-CD2 4.11Å; W130-F173 AromaticContact CE2-CD2 3.75Å; W130-F173 HydrophobicContact CE3-CD2 4.37Å; W130-F173 AromaticContact CH2-CD2 3.98Å; W130-F173 HydrophobicContact CH2-CD2 3.98Å; W130-F173 HydrophobicContact CZ2-CB 3.86Å; W130-F173 AromaticContact CZ2-CD2 3.69Å; W130-F173 HydrophobicContact CZ2-CD2 3.69Å; W130-F173 HydrophobicContact CZ2-CG 4.08Å; W130-F173 HydrophobicContact CZ3-CD2 4.32Å; T169-F173 PolarHBondContact O-N 2.88Å; P170-F173 PolarHBondContact O-N 3.47Å; C171-F173 VanDerWaalsContact C-N 3.3Å; C171-F173 PolarHBondContact O-N 3.44Å; F173-Y177 AromaticContact CD2-CD1 3.52Å; F173-Y177 HydrophobicContact CD2-CD1 3.52Å; F173-Y177 HydrophobicContact CD2-CE1 4.14Å; F173-Y177 HydrophobicContact CD2-CG 4.36Å; F173-Y177 AromaticContact CE2-CD1 3.35Å; F173-Y177 HydrophobicContact CE2-CD1 3.35Å; F173-Y177 AromaticContact CE2-CE1 3.52Å; F173-Y177 HydrophobicContact CE2-CE1 3.52Å; F173-Y177 HydrophobicContact CG-CD1 4.42Å; F173-Y177 HydrophobicContact CZ-CD1 4.15Å; F173-Y177 HydrophobicContact CZ-CE1 4.21Å; F173-R178 HydrophobicContact CD1-CG 4.17Å; F173-R178 HydrophobicContact CE1-CG 3.94Å; F173-R178 HydrophobicContact CZ-CG 4.43Å; F173-R178 WeakPolarHBondContact O-CB 3.02Å; F173-R178 WeakPolarHBondContact O-CG 3.48Å; F173-R178 PolarHBondContact O-N 2.94Å |
| 174 | V | 88.2 | Confident | 90.3 | Very high | 89 Ų | 89 | 37 Ų | 37 | 54% | 0.539 | 20% | 0.199 | S | C | . | . | I | π-helix | trans | -76.7 | -40.6 | -176 | 175.7 | 0 | 0 | 0 | 0 | 111.9 | P170 C171 P179 | P170-V174 WeakPolarHBondContact O-CG2 3.35Å; P170-V174 PolarHBondContact O-N 2.97Å; C171-V174 PolarHBondContact O-N 3.38Å; V174-P179 WeakPolarHBondContact O-CD 3.38Å |
| 175 | C | 87.1 | Confident | 89.8 | Confident | 46 Ų | 46 | 40 Ų | 40 | 31% | 0.311 | 21% | 0.21 | S | C | . | . | I | π-helix | trans | -87.7 | -24.7 | -166.8 | -61.6 | 0 | 0 | 0 | 0 | 113.2 | C171 P179 V198 | C171-C175 WeakPolarHBondContact O-CB 3.23Å; C171-C175 PolarHBondContact O-N 2.97Å; C171-C175 PolarHBondContact O-SG 3.03Å; C171-C175 VanDerWaalsContact SG-SG 3.61Å; C175-P179 WeakPolarHBondContact O-CG 3.41Å; C175-V198 HydrophobicContact CB-CG1 3.82Å; C175-V198 WeakPolarHBondContact O-CG1 3.38Å |
| 176 | W | 91.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -129.6 | -42.1 | 176.4 | 74.2 | -103.3 | 0 | 0 | 0 | 114.4 | M126 W130 S172 L180 F195 V198 Y199 | M126-W176 HydrophobicContact CB-CZ3 4.37Å; M126-W176 HydrophobicContact CE-CE3 4.39Å; M126-W176 HydrophobicContact CE-CZ3 3.9Å; M126-W176 HydrophobicContact SD-CZ3 4.45Å; W130-W176 HydrophobicContact CB-CH2 3.77Å; W130-W176 HydrophobicContact CB-CZ2 3.71Å; W130-W176 HydrophobicContact CG-CZ2 4.33Å; S172-W176 VanDerWaalsContact CB-NE1 3.28Å; S172-W176 PolarHBondContact O-N 3.27Å; S172-W176 PolarHBondContact O-NE1 2.99Å; W176-L180 HydrophobicContact CZ3-CD2 4.43Å; W176-L180 VanDerWaalsContact O-CB 3.3Å; W176-L180 WeakPolarHBondContact O-CB 3.16Å; W176-L180 PolarHBondContact O-N 3.34Å; W176-F195 HydrophobicContact CB-CD2 4.32Å; W176-F195 HydrophobicContact CE3-CD2 4.49Å; W176-F195 AromaticContact CE3-CE2 3.95Å; W176-F195 HydrophobicContact CE3-CE2 3.95Å; W176-F195 WeakPolarHBondContact O-CD2 3.37Å; W176-V198 HydrophobicContact CB-CG1 4.12Å; W176-Y199 HydrophobicContact CB-CD2 4.08Å; W176-Y199 AromaticContact CD2-CD2 3.63Å; W176-Y199 HydrophobicContact CD2-CD2 3.63Å; W176-Y199 AromaticContact CD2-CE2 3.74Å; W176-Y199 HydrophobicContact CD2-CE2 3.74Å; W176-Y199 AromaticContact CE3-CD2 3.6Å; W176-Y199 HydrophobicContact CE3-CD2 3.6Å; W176-Y199 AromaticContact CE3-CE2 3.51Å; W176-Y199 HydrophobicContact CE3-CE2 3.51Å; W176-Y199 AromaticContact CG-CD2 3.86Å; W176-Y199 HydrophobicContact CG-CD2 3.86Å; W176-Y199 HydrophobicContact CG-CE2 4.42Å; W176-Y199 HydrophobicContact CH2-CE2 4.02Å; W176-Y199 HydrophobicContact CZ2-CE2 4.22Å; W176-Y199 HydrophobicContact CZ3-CD2 4.24Å; W176-Y199 AromaticContact CZ3-CE2 3.67Å; W176-Y199 HydrophobicContact CZ3-CE2 3.67Å |
| 177 | Y | 90.8 | Very high | 88 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -68.4 | -42.7 | -177.2 | 172.5 | -103.1 | 0 | 0 | 0 | 111.8 | Q109 F111 Y127 S172 F173 L180 Y181 | Q109-Y177 VanDerWaalsContact CD-OH 3.26Å; Q109-Y177 PolarHBondContact NE2-OH 3.21Å; Q109-Y177 PolarHBondContact OE1-OH 3.35Å; F111-Y177 WeakPolarHBondContact CE1-OH 3.49Å; F111-Y177 WeakPolarHBondContact CZ-OH 3.22Å; Y127-Y177 HydrophobicContact CD2-CE1 4.15Å; Y127-Y177 HydrophobicContact CD2-CE2 4.09Å; Y127-Y177 AromaticContact CD2-CZ 3.64Å; Y127-Y177 WeakPolarHBondContact CD2-OH 3.39Å; Y127-Y177 HydrophobicContact CG-CE2 4.3Å; S172-Y177 PolarHBondContact O-N 3.47Å; F173-Y177 AromaticContact CD2-CD1 3.52Å; F173-Y177 HydrophobicContact CD2-CD1 3.52Å; F173-Y177 HydrophobicContact CD2-CE1 4.14Å; F173-Y177 HydrophobicContact CD2-CG 4.36Å; F173-Y177 AromaticContact CE2-CD1 3.35Å; F173-Y177 HydrophobicContact CE2-CD1 3.35Å; F173-Y177 AromaticContact CE2-CE1 3.52Å; F173-Y177 HydrophobicContact CE2-CE1 3.52Å; F173-Y177 HydrophobicContact CG-CD1 4.42Å; F173-Y177 HydrophobicContact CZ-CD1 4.15Å; F173-Y177 HydrophobicContact CZ-CE1 4.21Å; Y177-L180 WeakPolarHBondContact O-CB 3.47Å; Y177-L180 PolarHBondContact O-N 3.31Å; Y177-Y181 WeakPolarHBondContact O-CB 3.47Å; Y177-Y181 PolarHBondContact O-N 3.31Å |
| 178 | R | 88.3 | Confident | 87.4 | Confident | 95 Ų | 95 | 35 Ų | 35 | 36% | 0.358 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.6 | -50.7 | 176 | -85.5 | -76.8 | -167.4 | 136.3 | 4.7 | 112.8 | F107 F173 L180 Y181 G182 | F107-R178 VanDerWaalsContact CE2-CZ 3.43Å; F107-R178 VanDerWaalsContact CZ-NH1 3.33Å; F173-R178 HydrophobicContact CD1-CG 4.17Å; F173-R178 HydrophobicContact CE1-CG 3.94Å; F173-R178 HydrophobicContact CZ-CG 4.43Å; F173-R178 WeakPolarHBondContact O-CB 3.02Å; F173-R178 WeakPolarHBondContact O-CG 3.48Å; F173-R178 PolarHBondContact O-N 2.94Å; R178-L180 VanDerWaalsContact C-N 3.3Å; R178-L180 PolarHBondContact O-N 3.11Å; R178-Y181 PolarHBondContact O-N 3.29Å; R178-G182 PolarHBondContact O-N 3.04Å |
| 179 | P | 89.6 | Confident | 86.8 | Confident | 22 Ų | 22 | 33.6 Ų | 33.6 | 14% | 0.143 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55 | -43.8 | 172.3 | -32.4 | 37.7 | 0 | 0 | 0 | 113 | V174 C175 G182 A183 V194 F195 | V174-P179 WeakPolarHBondContact O-CD 3.38Å; C175-P179 WeakPolarHBondContact O-CG 3.41Å; P179-G182 PolarHBondContact O-N 2.9Å; P179-A183 VanDerWaalsContact O-CB 3.28Å; P179-A183 WeakPolarHBondContact O-CB 3.34Å; P179-A183 PolarHBondContact O-N 3.45Å; P179-V194 HydrophobicContact CB-CG1 4.38Å; P179-V194 HydrophobicContact CG-CG1 4.3Å; P179-F195 HydrophobicContact CB-CB 4.2Å |
| 180 | L | 90.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.7 | -51.5 | 176.3 | -179.7 | 81.5 | 0 | 0 | 0 | 112.3 | M126 W176 Y177 R178 G182 A183 F184 F195 V259 | M126-L180 HydrophobicContact CB-CD2 3.35Å; M126-L180 HydrophobicContact CE-CD1 4.21Å; M126-L180 HydrophobicContact CE-CD2 3.73Å; M126-L180 HydrophobicContact CG-CD2 3.47Å; M126-L180 VanDerWaalsContact CG-CD2 3.47Å; M126-L180 HydrophobicContact SD-CD2 4.4Å; W176-L180 HydrophobicContact CZ3-CD2 4.43Å; W176-L180 VanDerWaalsContact O-CB 3.3Å; W176-L180 WeakPolarHBondContact O-CB 3.16Å; W176-L180 PolarHBondContact O-N 3.34Å; Y177-L180 WeakPolarHBondContact O-CB 3.47Å; Y177-L180 PolarHBondContact O-N 3.31Å; R178-L180 VanDerWaalsContact C-N 3.3Å; R178-L180 PolarHBondContact O-N 3.11Å; L180-G182 VanDerWaalsContact C-N 3.29Å; L180-G182 PolarHBondContact O-N 3.39Å; L180-A183 WeakPolarHBondContact O-CB 3.11Å; L180-A183 PolarHBondContact O-N 2.77Å; L180-A183 VanDerWaalsContact O-N 3.13Å; L180-F184 HydrophobicContact CD1-CD2 3.97Å; L180-F184 HydrophobicContact CD1-CE2 3.57Å; L180-F184 HydrophobicContact CG-CD2 4.1Å; L180-F184 HydrophobicContact CG-CE2 4.17Å; L180-F184 WeakPolarHBondContact O-CD2 3.49Å; L180-F184 PolarHBondContact O-N 3.24Å; L180-F184 VanDerWaalsContact O-N 3.09Å; L180-F195 HydrophobicContact CB-CD2 3.67Å; L180-F195 HydrophobicContact CB-CE2 4.03Å; L180-F195 HydrophobicContact CB-CG 4.18Å; L180-F195 HydrophobicContact CD1-CD1 3.93Å; L180-F195 HydrophobicContact CD1-CD2 3.86Å; L180-F195 HydrophobicContact CD1-CE1 3.8Å; L180-F195 HydrophobicContact CD1-CE2 3.71Å; L180-F195 HydrophobicContact CD1-CG 3.96Å; L180-F195 HydrophobicContact CD1-CZ 3.69Å; L180-F195 HydrophobicContact CD2-CE2 4.48Å; L180-F195 HydrophobicContact CG-CD2 4.32Å; L180-F195 HydrophobicContact CG-CE2 4.28Å; L180-V259 HydrophobicContact CD1-CG1 3.87Å; L180-V259 HydrophobicContact CD1-CG2 4.23Å |
| 181 | Y | 88.3 | Confident | 86 | Confident | 9 Ų | 9 | 37.9 Ų | 37.9 | 4% | 0.035 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.2 | -44.7 | 179 | -175.5 | -93.5 | 0 | 0 | 0 | 110.9 | D110 F111 D114 I115 V123 Y177 R178 A183 R185 | D110-Y181 PolarHBondContact O-OH 3.03Å; F111-Y181 HydrophobicContact CD1-CE2 4Å; F111-Y181 HydrophobicContact CE1-CD2 4.29Å; F111-Y181 HydrophobicContact CE1-CE2 4.06Å; D114-Y181 HydrophobicContact CB-CE1 4.42Å; D114-Y181 VanDerWaalsContact CB-OH 3.23Å; D114-Y181 WeakPolarHBondContact CB-OH 3.48Å; D114-Y181 PolarHBondContact OD2-OH 2.87Å; I115-Y181 HydrophobicContact CD1-CD2 4.19Å; I115-Y181 HydrophobicContact CD1-CE2 4Å; I115-Y181 HydrophobicContact CG1-CD2 4.48Å; I115-Y181 HydrophobicContact CG1-CE2 3.97Å; V123-Y181 HydrophobicContact CG1-CD2 3.78Å; V123-Y181 HydrophobicContact CG1-CE2 4.41Å; Y177-Y181 WeakPolarHBondContact O-CB 3.47Å; Y177-Y181 PolarHBondContact O-N 3.31Å; R178-Y181 PolarHBondContact O-N 3.29Å; Y181-A183 VanDerWaalsContact C-N 3.31Å; Y181-A183 PolarHBondContact O-N 3.25Å; Y181-R185 VanDerWaalsContact O-CB 3.27Å; Y181-R185 WeakPolarHBondContact O-CB 3.36Å; Y181-R185 PolarHBondContact O-N 2.82Å |
| 182 | G | 85.2 | Confident | 85.9 | Confident | 10 Ų | 10 | 35.2 Ų | 35.2 | 10% | 0.103 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64 | -34 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R178 P179 L180 S186 R191 | R178-G182 PolarHBondContact O-N 3.04Å; P179-G182 PolarHBondContact O-N 2.9Å; L180-G182 VanDerWaalsContact C-N 3.29Å; L180-G182 PolarHBondContact O-N 3.39Å; G182-S186 PolarHBondContact O-N 2.78Å; G182-S186 PolarHBondContact O-OG 3.25Å; G182-R191 VanDerWaalsContact C-CD 3.45Å; G182-R191 WeakPolarHBondContact O-CD 3.47Å; G182-R191 PolarHBondContact O-NH1 3.37Å |
| 183 | A | 87.3 | Confident | 85.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.2 | -47.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | P179 L180 Y181 D187 S188 R191 F192 | P179-A183 VanDerWaalsContact O-CB 3.28Å; P179-A183 WeakPolarHBondContact O-CB 3.34Å; P179-A183 PolarHBondContact O-N 3.45Å; L180-A183 WeakPolarHBondContact O-CB 3.11Å; L180-A183 PolarHBondContact O-N 2.77Å; L180-A183 VanDerWaalsContact O-N 3.13Å; Y181-A183 VanDerWaalsContact C-N 3.31Å; Y181-A183 PolarHBondContact O-N 3.25Å; A183-D187 CarbonylContact O-C 3.53Å; A183-D187 WeakPolarHBondContact O-CA 3.49Å; A183-D187 PolarHBondContact O-N 3.42Å; A183-S188 PolarHBondContact O-N 3.21Å; A183-R191 HydrophobicContact CB-CB 3.69Å; A183-F192 HydrophobicContact CB-CB 4.47Å; A183-F192 HydrophobicContact CB-CD1 3.84Å; A183-F192 HydrophobicContact CB-CD2 3.74Å; A183-F192 HydrophobicContact CB-CE1 3.91Å; A183-F192 HydrophobicContact CB-CE2 3.82Å; A183-F192 HydrophobicContact CB-CG 3.74Å; A183-F192 HydrophobicContact CB-CZ 3.89Å |
| 184 | F | 85.4 | Confident | 85.7 | Confident | 7 Ų | 7 | 40.9 Ų | 40.9 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.5 | -26.7 | 178.2 | -78.2 | -72.6 | 0 | 0 | 0 | 113.9 | I115 F119 V123 L180 F192 V259 L262 | I115-F184 HydrophobicContact CD1-CB 4Å; I115-F184 HydrophobicContact CG2-CB 4.41Å; F119-F184 HydrophobicContact CB-CD1 3.59Å; F119-F184 HydrophobicContact CB-CE1 3.96Å; F119-F184 HydrophobicContact CB-CG 4.35Å; F119-F184 HydrophobicContact CD1-CD1 4.01Å; F119-F184 AromaticContact CD1-CE1 3.71Å; F119-F184 HydrophobicContact CD1-CE1 3.71Å; F119-F184 AromaticContact CD2-CD1 3.92Å; F119-F184 HydrophobicContact CD2-CD1 3.92Å; F119-F184 HydrophobicContact CD2-CE1 4.42Å; F119-F184 HydrophobicContact CE1-CE1 4.33Å; F119-F184 AromaticContact CG-CD1 3.56Å; F119-F184 HydrophobicContact CG-CD1 3.56Å; F119-F184 AromaticContact CG-CE1 3.77Å; F119-F184 HydrophobicContact CG-CE1 3.77Å; V123-F184 HydrophobicContact CG2-CB 3.76Å; V123-F184 HydrophobicContact CG2-CD1 4.42Å; V123-F184 HydrophobicContact CG2-CD2 3.54Å; V123-F184 HydrophobicContact CG2-CE2 4.21Å; V123-F184 HydrophobicContact CG2-CG 3.66Å; L180-F184 HydrophobicContact CD1-CD2 3.97Å; L180-F184 HydrophobicContact CD1-CE2 3.57Å; L180-F184 HydrophobicContact CG-CD2 4.1Å; L180-F184 HydrophobicContact CG-CE2 4.17Å; L180-F184 WeakPolarHBondContact O-CD2 3.49Å; L180-F184 PolarHBondContact O-N 3.24Å; L180-F184 VanDerWaalsContact O-N 3.09Å; F184-F192 HydrophobicContact CD1-CE1 4.43Å; F184-F192 AromaticContact CD1-CZ 3.82Å; F184-F192 HydrophobicContact CD1-CZ 3.82Å; F184-F192 HydrophobicContact CD2-CE1 4.06Å; F184-F192 HydrophobicContact CD2-CZ 4.12Å; F184-F192 HydrophobicContact CE1-CE1 4.05Å; F184-F192 AromaticContact CE1-CZ 3.72Å; F184-F192 HydrophobicContact CE1-CZ 3.72Å; F184-F192 AromaticContact CE2-CE1 3.66Å; F184-F192 HydrophobicContact CE2-CE1 3.66Å; F184-F192 HydrophobicContact CE2-CZ 4.03Å; F184-F192 HydrophobicContact CG-CE1 4.44Å; F184-F192 HydrophobicContact CG-CZ 4.03Å; F184-F192 AromaticContact CZ-CE1 3.65Å; F184-F192 HydrophobicContact CZ-CE1 3.65Å; F184-F192 AromaticContact CZ-CZ 3.83Å; F184-F192 HydrophobicContact CZ-CZ 3.83Å; F184-V259 HydrophobicContact CE2-CG1 4.03Å; F184-V259 HydrophobicContact CE2-CG2 4.41Å; F184-V259 HydrophobicContact CZ-CG1 4.07Å; F184-L262 HydrophobicContact CE1-CB 4.43Å; F184-L262 HydrophobicContact CE1-CD1 4.29Å; F184-L262 HydrophobicContact CZ-CB 4.45Å; F184-L262 HydrophobicContact CZ-CD1 4.14Å |
| 185 | R | 84.3 | Confident | 85.9 | Confident | 103 Ų | 103 | 36.7 Ų | 36.7 | 39% | 0.389 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -71.1 | -39.9 | 176.2 | 176.4 | 171.3 | 179.4 | 163.8 | -5.8 | 112.9 | D114 I115 Y181 | D114-R185 HydrophobicContact CB-CG 4.32Å; D114-R185 WeakPolarHBondContact O-CG 3.33Å; D114-R185 IonicContact OD1-CZ 3.91Å; D114-R185 IonicContact OD1-NE 2.72Å; D114-R185 IonicContact OD1-NH1 3.7Å; D114-R185 PolarHBondContact OD1-NH1 3.26Å; D114-R185 IonicContact OD1-NH2 3.38Å; D114-R185 IonicContact OD2-CZ 3.54Å; D114-R185 IonicContact OD2-NH1 2.64Å; D114-R185 PolarHBondContact OD2-NH1 2.96Å; I115-R185 HydrophobicContact CD1-CB 3.86Å; Y181-R185 VanDerWaalsContact O-CB 3.27Å; Y181-R185 WeakPolarHBondContact O-CB 3.36Å; Y181-R185 PolarHBondContact O-N 2.82Å |
| 186 | S | 77.8 | Confident | 86.2 | Confident | 62 Ų | 62 | 35.6 Ų | 35.6 | 43% | 0.434 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -115.2 | 12.1 | -173.9 | 68.4 | 0 | 0 | 0 | 0 | 113.8 | G182 S188 R191 | G182-S186 PolarHBondContact O-N 2.78Å; G182-S186 PolarHBondContact O-OG 3.25Å; S186-S188 PolarHBondContact O-N 3.24Å; S186-S188 WeakPolarHBondContact OG-CB 3.46Å; S186-R191 PolarHBondContact OG-NH1 3.23Å; S186-R191 VanDerWaalsContact OG-NH1 3.08Å |
| 187 | D | 75.9 | Confident | 86.2 | Confident | 61 Ų | 61 | 42.1 Ų | 42.1 | 33% | 0.326 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43 | 40.4 | -172 | -168.5 | 47.5 | 0 | 0 | 0 | 113.6 | A183 K272 | A183-D187 CarbonylContact O-C 3.53Å; A183-D187 WeakPolarHBondContact O-CA 3.49Å; A183-D187 PolarHBondContact O-N 3.42Å; D187-K272 IonicContact OD2-NZ 2.96Å; D187-K272 PolarHBondContact OD2-NZ 2.83Å |
| 188 | S | 80.1 | Confident | 86.3 | Confident | 15 Ų | 15 | 43.8 Ų | 43.8 | 11% | 0.105 | 21% | 0.207 | C | C | . | . | trans | -88.6 | 115.6 | -172.9 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | A183 S186 F190 R191 F192 E276 | A183-S188 PolarHBondContact O-N 3.21Å; S186-S188 PolarHBondContact O-N 3.24Å; S186-S188 WeakPolarHBondContact OG-CB 3.46Å; S188-F190 VanDerWaalsContact C-N 3.3Å; S188-F190 PolarHBondContact O-N 3.04Å; S188-R191 PolarHBondContact O-N 3.31Å; S188-R191 PolarHBondContact OG-N 3.31Å; S188-F192 VanDerWaalsContact O-CD2 3.26Å; S188-F192 WeakPolarHBondContact O-CD2 3.31Å; S188-F192 PolarHBondContact O-N 2.88Å; S188-F192 VanDerWaalsContact O-N 3.14Å; S188-E276 VanDerWaalsContact C-OE2 3.31Å; S188-E276 WeakPolarHBondContact CA-OE2 3.43Å; S188-E276 WeakPolarHBondContact CB-OE2 3.48Å; S188-E276 PolarHBondContact OG-OE2 2.82Å | ||
| 189 | S | 80.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.4 | -35.9 | 178.3 | -47.5 | 0 | 0 | 0 | 0 | 111.7 | F192 F193 K272 E276 | S189-F192 WeakPolarHBondContact O-CB 3.27Å; S189-F192 PolarHBondContact O-N 2.96Å; S189-F193 PolarHBondContact O-N 2.87Å; S189-K272 VanDerWaalsContact OG-CD 3.28Å; S189-K272 WeakPolarHBondContact OG-CD 3.29Å; S189-K272 WeakPolarHBondContact OG-CG 3.39Å; S189-E276 WeakPolarHBondContact CB-OE1 3.18Å; S189-E276 VanDerWaalsContact N-CD 3.34Å; S189-E276 PolarHBondContact N-OE1 2.81Å; S189-E276 PolarHBondContact N-OE2 3.41Å; S189-E276 PolarHBondContact OG-OE1 2.99Å |
| 190 | F | 80 | Confident | 86.8 | Confident | 79 Ų | 79 | 42.9 Ų | 42.9 | 35% | 0.346 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.5 | -43.2 | 176.2 | 177.9 | -101.3 | 0 | 0 | 0 | 112.1 | S188 F192 F193 V194 E276 F277 | S188-F190 VanDerWaalsContact C-N 3.3Å; S188-F190 PolarHBondContact O-N 3.04Å; F190-F192 VanDerWaalsContact C-N 3.33Å; F190-F192 PolarHBondContact O-N 3.17Å; F190-F193 WeakPolarHBondContact O-CB 3.45Å; F190-F193 PolarHBondContact O-N 2.82Å; F190-V194 HydrophobicContact CD1-CG2 4.48Å; F190-V194 HydrophobicContact CE1-CG2 4.01Å; F190-V194 HydrophobicContact CE2-CG2 4.44Å; F190-V194 HydrophobicContact CZ-CG2 3.99Å; F190-V194 PolarHBondContact O-N 3.23Å; F190-V194 VanDerWaalsContact O-N 3.09Å; F190-E276 PolarHBondContact N-OE2 3.12Å; F190-F277 HydrophobicContact CD2-CB 4.11Å; F190-F277 AromaticContact CD2-CD2 3.96Å; F190-F277 HydrophobicContact CD2-CD2 3.96Å; F190-F277 HydrophobicContact CD2-CG 4.4Å; F190-F277 HydrophobicContact CE1-CD2 4.49Å; F190-F277 HydrophobicContact CE2-CB 4.47Å; F190-F277 AromaticContact CE2-CD2 3.51Å; F190-F277 HydrophobicContact CE2-CD2 3.51Å; F190-F277 HydrophobicContact CE2-CE2 4.11Å; F190-F277 HydrophobicContact CE2-CG 4.26Å; F190-F277 AromaticContact CZ-CD2 3.82Å; F190-F277 HydrophobicContact CZ-CD2 3.82Å; F190-F277 HydrophobicContact CZ-CE2 4.14Å |
| 191 | R | 85.6 | Confident | 87 | Confident | 106 Ų | 106 | 46.4 Ų | 46.4 | 40% | 0.4 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.2 | -35.2 | 177.5 | -67.1 | -178.7 | 179.7 | 171 | -2 | 112.1 | G182 A183 S186 S188 F195 | G182-R191 VanDerWaalsContact C-CD 3.45Å; G182-R191 WeakPolarHBondContact O-CD 3.47Å; G182-R191 PolarHBondContact O-NH1 3.37Å; A183-R191 HydrophobicContact CB-CB 3.69Å; S186-R191 PolarHBondContact OG-NH1 3.23Å; S186-R191 VanDerWaalsContact OG-NH1 3.08Å; S188-R191 PolarHBondContact O-N 3.31Å; S188-R191 PolarHBondContact OG-N 3.31Å; R191-F195 WeakPolarHBondContact O-CB 3.49Å; R191-F195 PolarHBondContact O-N 3.38Å |
| 192 | F | 87.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.4 | -44.2 | 170.5 | -84.3 | -65.6 | 0 | 0 | 0 | 112 | A183 F184 S188 S189 F190 F195 F196 V259 Y263 | A183-F192 HydrophobicContact CB-CB 4.47Å; A183-F192 HydrophobicContact CB-CD1 3.84Å; A183-F192 HydrophobicContact CB-CD2 3.74Å; A183-F192 HydrophobicContact CB-CE1 3.91Å; A183-F192 HydrophobicContact CB-CE2 3.82Å; A183-F192 HydrophobicContact CB-CG 3.74Å; A183-F192 HydrophobicContact CB-CZ 3.89Å; F184-F192 HydrophobicContact CD1-CE1 4.43Å; F184-F192 AromaticContact CD1-CZ 3.82Å; F184-F192 HydrophobicContact CD1-CZ 3.82Å; F184-F192 HydrophobicContact CD2-CE1 4.06Å; F184-F192 HydrophobicContact CD2-CZ 4.12Å; F184-F192 HydrophobicContact CE1-CE1 4.05Å; F184-F192 AromaticContact CE1-CZ 3.72Å; F184-F192 HydrophobicContact CE1-CZ 3.72Å; F184-F192 AromaticContact CE2-CE1 3.66Å; F184-F192 HydrophobicContact CE2-CE1 3.66Å; F184-F192 HydrophobicContact CE2-CZ 4.03Å; F184-F192 HydrophobicContact CG-CE1 4.44Å; F184-F192 HydrophobicContact CG-CZ 4.03Å; F184-F192 AromaticContact CZ-CE1 3.65Å; F184-F192 HydrophobicContact CZ-CE1 3.65Å; F184-F192 AromaticContact CZ-CZ 3.83Å; F184-F192 HydrophobicContact CZ-CZ 3.83Å; S188-F192 VanDerWaalsContact O-CD2 3.26Å; S188-F192 WeakPolarHBondContact O-CD2 3.31Å; S188-F192 PolarHBondContact O-N 2.88Å; S188-F192 VanDerWaalsContact O-N 3.14Å; S189-F192 WeakPolarHBondContact O-CB 3.27Å; S189-F192 PolarHBondContact O-N 2.96Å; F190-F192 VanDerWaalsContact C-N 3.33Å; F190-F192 PolarHBondContact O-N 3.17Å; F192-F195 WeakPolarHBondContact O-CB 3.44Å; F192-F195 PolarHBondContact O-N 2.91Å; F192-F196 HydrophobicContact CB-CD2 4.5Å; F192-F196 HydrophobicContact CB-CE2 4.16Å; F192-F196 HydrophobicContact CD1-CE2 4.23Å; F192-F196 WeakPolarHBondContact O-CD2 3.18Å; F192-F196 PolarHBondContact O-N 2.95Å; F192-V259 HydrophobicContact CE1-CG1 4.25Å; F192-Y263 HydrophobicContact CB-CD2 3.61Å; F192-Y263 HydrophobicContact CB-CE2 3.69Å; F192-Y263 HydrophobicContact CD1-CD2 4.09Å; F192-Y263 AromaticContact CD2-CD2 3.94Å; F192-Y263 HydrophobicContact CD2-CD2 3.94Å; F192-Y263 HydrophobicContact CD2-CE2 4.4Å; F192-Y263 AromaticContact CG-CD2 3.63Å; F192-Y263 HydrophobicContact CG-CD2 3.63Å; F192-Y263 HydrophobicContact CG-CE2 4.15Å |
| 193 | F | 87.5 | Confident | 87.8 | Confident | 106 Ų | 106 | 49.1 Ų | 49.1 | 47% | 0.465 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.9 | -49 | 178.1 | -178.8 | -97.5 | 0 | 0 | 0 | 112.4 | S189 F190 F195 F196 F197 | S189-F193 PolarHBondContact O-N 2.87Å; F190-F193 WeakPolarHBondContact O-CB 3.45Å; F190-F193 PolarHBondContact O-N 2.82Å; F193-F195 VanDerWaalsContact C-N 3.3Å; F193-F195 PolarHBondContact O-N 3.43Å; F193-F196 PolarHBondContact O-N 2.91Å; F193-F197 PolarHBondContact O-N 2.95Å |
| 194 | V | 88.9 | Confident | 88.2 | Confident | 47 Ų | 47 | 51.4 Ų | 51.4 | 29% | 0.285 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.9 | -44 | 176 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | P179 F190 F197 V198 | P179-V194 HydrophobicContact CB-CG1 4.38Å; P179-V194 HydrophobicContact CG-CG1 4.3Å; F190-V194 HydrophobicContact CD1-CG2 4.48Å; F190-V194 HydrophobicContact CE1-CG2 4.01Å; F190-V194 HydrophobicContact CE2-CG2 4.44Å; F190-V194 HydrophobicContact CZ-CG2 3.99Å; F190-V194 PolarHBondContact O-N 3.23Å; F190-V194 VanDerWaalsContact O-N 3.09Å; V194-F197 PolarHBondContact O-N 2.89Å; V194-V198 HydrophobicContact CG1-CG2 4.4Å; V194-V198 WeakPolarHBondContact O-CG2 3.42Å; V194-V198 PolarHBondContact O-N 3.4Å; V194-V198 VanDerWaalsContact O-N 3.09Å |
| 195 | F | 92.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56 | -53.6 | 175.1 | 162.2 | -102 | 0 | 0 | 0 | 111.6 | M126 W176 P179 L180 R191 F192 F193 F197 V198 Y199 V259 | M126-F195 HydrophobicContact CE-CE2 3.65Å; M126-F195 HydrophobicContact CE-CZ 3.41Å; M126-F195 VanDerWaalsContact CE-CZ 3.41Å; W176-F195 HydrophobicContact CB-CD2 4.32Å; W176-F195 HydrophobicContact CE3-CD2 4.49Å; W176-F195 AromaticContact CE3-CE2 3.95Å; W176-F195 HydrophobicContact CE3-CE2 3.95Å; W176-F195 WeakPolarHBondContact O-CD2 3.37Å; P179-F195 HydrophobicContact CB-CB 4.2Å; L180-F195 HydrophobicContact CB-CD2 3.67Å; L180-F195 HydrophobicContact CB-CE2 4.03Å; L180-F195 HydrophobicContact CB-CG 4.18Å; L180-F195 HydrophobicContact CD1-CD1 3.93Å; L180-F195 HydrophobicContact CD1-CD2 3.86Å; L180-F195 HydrophobicContact CD1-CE1 3.8Å; L180-F195 HydrophobicContact CD1-CE2 3.71Å; L180-F195 HydrophobicContact CD1-CG 3.96Å; L180-F195 HydrophobicContact CD1-CZ 3.69Å; L180-F195 HydrophobicContact CD2-CE2 4.48Å; L180-F195 HydrophobicContact CG-CD2 4.32Å; L180-F195 HydrophobicContact CG-CE2 4.28Å; R191-F195 WeakPolarHBondContact O-CB 3.49Å; R191-F195 PolarHBondContact O-N 3.38Å; F192-F195 WeakPolarHBondContact O-CB 3.44Å; F192-F195 PolarHBondContact O-N 2.91Å; F193-F195 VanDerWaalsContact C-N 3.3Å; F193-F195 PolarHBondContact O-N 3.43Å; F195-F197 PolarHBondContact O-N 2.94Å; F195-V198 PolarHBondContact O-N 2.65Å; F195-Y199 HydrophobicContact CD2-CD2 4.33Å; F195-Y199 HydrophobicContact CD2-CG 4.49Å; F195-Y199 HydrophobicContact CE2-CD1 4.47Å; F195-Y199 AromaticContact CE2-CD2 3.4Å; F195-Y199 HydrophobicContact CE2-CD2 3.4Å; F195-Y199 HydrophobicContact CE2-CE2 4.03Å; F195-Y199 AromaticContact CE2-CG 3.63Å; F195-Y199 HydrophobicContact CE2-CG 3.63Å; F195-Y199 HydrophobicContact CZ-CD1 4.14Å; F195-Y199 AromaticContact CZ-CD2 3.86Å; F195-Y199 HydrophobicContact CZ-CD2 3.86Å; F195-Y199 HydrophobicContact CZ-CE2 4.32Å; F195-Y199 AromaticContact CZ-CG 3.71Å; F195-Y199 HydrophobicContact CZ-CG 3.71Å; F195-Y199 WeakPolarHBondContact O-CB 3.07Å; F195-Y199 PolarHBondContact O-N 3.1Å; F195-V259 HydrophobicContact CD1-CG1 4.19Å; F195-V259 HydrophobicContact CE1-CB 4.23Å; F195-V259 HydrophobicContact CE1-CG1 3.56Å; F195-V259 HydrophobicContact CZ-CG1 4.3Å |
| 196 | F | 92.3 | Very high | 89.1 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 10% | 0.101 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.9 | -42.6 | -176.7 | -72 | -60 | 0 | 0 | 0 | 112.5 | F192 F193 Y199 I200 F256 V259 H260 Y263 | F192-F196 HydrophobicContact CB-CD2 4.5Å; F192-F196 HydrophobicContact CB-CE2 4.16Å; F192-F196 HydrophobicContact CD1-CE2 4.23Å; F192-F196 WeakPolarHBondContact O-CD2 3.18Å; F192-F196 PolarHBondContact O-N 2.95Å; F193-F196 PolarHBondContact O-N 2.91Å; F196-Y199 PolarHBondContact O-N 2.96Å; F196-I200 WeakPolarHBondContact O-CG1 3.34Å; F196-I200 PolarHBondContact O-N 2.83Å; F196-I200 VanDerWaalsContact O-N 3.11Å; F196-F256 HydrophobicContact CD1-CD2 4.19Å; F196-F256 AromaticContact CD1-CE2 3.66Å; F196-F256 HydrophobicContact CD1-CE2 3.66Å; F196-F256 HydrophobicContact CD1-CZ 4.24Å; F196-F256 HydrophobicContact CE1-CE2 4.37Å; F196-V259 HydrophobicContact CE1-CB 4.49Å; F196-V259 HydrophobicContact CE1-CG1 4.01Å; F196-V259 HydrophobicContact CZ-CG1 3.92Å; F196-H260 HydrophobicContact CE1-CB 3.87Å; F196-H260 HydrophobicContact CZ-CB 4.14Å; F196-Y263 HydrophobicContact CE2-CD1 4.08Å; F196-Y263 AromaticContact CE2-CD2 3.97Å; F196-Y263 HydrophobicContact CE2-CD2 3.97Å; F196-Y263 AromaticContact CE2-CG 3.72Å; F196-Y263 HydrophobicContact CE2-CG 3.72Å; F196-Y263 HydrophobicContact CZ-CG 4.15Å |
| 197 | F | 91.4 | Very high | 90 | Very high | 139 Ų | 139 | 48.2 Ų | 48.2 | 61% | 0.61 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -59.7 | -52.2 | 178.5 | 177.8 | -100.9 | 0 | 0 | 0 | 111.8 | F193 V194 F195 Y199 | F193-F197 PolarHBondContact O-N 2.95Å; V194-F197 PolarHBondContact O-N 2.89Å; F195-F197 PolarHBondContact O-N 2.94Å; F197-Y199 VanDerWaalsContact C-N 3.34Å; F197-Y199 PolarHBondContact O-N 3.41Å |
| 198 | V | 93.1 | Very high | 91 | Very high | 36 Ų | 36 | 48.5 Ų | 48.5 | 22% | 0.218 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.7 | -37.6 | -179.7 | 178.7 | 0 | 0 | 0 | 0 | 111.3 | C175 W176 V194 F195 I200 C201 Q202 | C175-V198 HydrophobicContact CB-CG1 3.82Å; C175-V198 WeakPolarHBondContact O-CG1 3.38Å; W176-V198 HydrophobicContact CB-CG1 4.12Å; V194-V198 HydrophobicContact CG1-CG2 4.4Å; V194-V198 WeakPolarHBondContact O-CG2 3.42Å; V194-V198 PolarHBondContact O-N 3.4Å; V194-V198 VanDerWaalsContact O-N 3.09Å; F195-V198 PolarHBondContact O-N 2.65Å; V198-I200 VanDerWaalsContact C-N 3.31Å; V198-I200 PolarHBondContact O-N 3.4Å; V198-C201 WeakPolarHBondContact O-CB 3.48Å; V198-C201 PolarHBondContact O-N 3.4Å; V198-C201 VanDerWaalsContact O-N 3.17Å; V198-Q202 PolarHBondContact O-N 3.09Å |
| 199 | Y | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.5 | -26.4 | -175.7 | -162.1 | -93.8 | 0 | 0 | 0 | 113.1 | M126 L129 W176 F195 F196 F197 Q202 F203 S252 F256 | M126-Y199 HydrophobicContact CE-CD2 4.42Å; M126-Y199 HydrophobicContact CE-CE2 3.75Å; L129-Y199 WeakPolarHBondContact CD2-OH 3.43Å; W176-Y199 HydrophobicContact CB-CD2 4.08Å; W176-Y199 AromaticContact CD2-CD2 3.63Å; W176-Y199 HydrophobicContact CD2-CD2 3.63Å; W176-Y199 AromaticContact CD2-CE2 3.74Å; W176-Y199 HydrophobicContact CD2-CE2 3.74Å; W176-Y199 AromaticContact CE3-CD2 3.6Å; W176-Y199 HydrophobicContact CE3-CD2 3.6Å; W176-Y199 AromaticContact CE3-CE2 3.51Å; W176-Y199 HydrophobicContact CE3-CE2 3.51Å; W176-Y199 AromaticContact CG-CD2 3.86Å; W176-Y199 HydrophobicContact CG-CD2 3.86Å; W176-Y199 HydrophobicContact CG-CE2 4.42Å; W176-Y199 HydrophobicContact CH2-CE2 4.02Å; W176-Y199 HydrophobicContact CZ2-CE2 4.22Å; W176-Y199 HydrophobicContact CZ3-CD2 4.24Å; W176-Y199 AromaticContact CZ3-CE2 3.67Å; W176-Y199 HydrophobicContact CZ3-CE2 3.67Å; F195-Y199 HydrophobicContact CD2-CD2 4.33Å; F195-Y199 HydrophobicContact CD2-CG 4.49Å; F195-Y199 HydrophobicContact CE2-CD1 4.47Å; F195-Y199 AromaticContact CE2-CD2 3.4Å; F195-Y199 HydrophobicContact CE2-CD2 3.4Å; F195-Y199 HydrophobicContact CE2-CE2 4.03Å; F195-Y199 AromaticContact CE2-CG 3.63Å; F195-Y199 HydrophobicContact CE2-CG 3.63Å; F195-Y199 HydrophobicContact CZ-CD1 4.14Å; F195-Y199 AromaticContact CZ-CD2 3.86Å; F195-Y199 HydrophobicContact CZ-CD2 3.86Å; F195-Y199 HydrophobicContact CZ-CE2 4.32Å; F195-Y199 AromaticContact CZ-CG 3.71Å; F195-Y199 HydrophobicContact CZ-CG 3.71Å; F195-Y199 WeakPolarHBondContact O-CB 3.07Å; F195-Y199 PolarHBondContact O-N 3.1Å; F196-Y199 PolarHBondContact O-N 2.96Å; F197-Y199 VanDerWaalsContact C-N 3.34Å; F197-Y199 PolarHBondContact O-N 3.41Å; Y199-Q202 PolarHBondContact O-N 3.21Å; Y199-F203 WeakPolarHBondContact O-CB 3.3Å; Y199-F203 PolarHBondContact O-N 2.92Å; Y199-S252 WeakPolarHBondContact OH-CA 3.36Å; Y199-F256 HydrophobicContact CD1-CB 4.31Å; Y199-F256 AromaticContact CD1-CD2 3.65Å; Y199-F256 HydrophobicContact CD1-CD2 3.65Å; Y199-F256 HydrophobicContact CD1-CE2 4.48Å; Y199-F256 HydrophobicContact CD1-CG 4.43Å; Y199-F256 HydrophobicContact CE1-CB 3.99Å; Y199-F256 HydrophobicContact CE1-CD2 4.19Å |
| 200 | I | 94.4 | Very high | 92.6 | Very high | 97 Ų | 97 | 48.3 Ų | 48.3 | 50% | 0.497 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 170 | -71.5 | 164.7 | 0 | 0 | 0 | 110.5 | F196 V198 F203 A204 F256 | F196-I200 WeakPolarHBondContact O-CG1 3.34Å; F196-I200 PolarHBondContact O-N 2.83Å; F196-I200 VanDerWaalsContact O-N 3.11Å; V198-I200 VanDerWaalsContact C-N 3.31Å; V198-I200 PolarHBondContact O-N 3.4Å; I200-F203 PolarHBondContact O-N 2.97Å; I200-A204 PolarHBondContact O-N 3.11Å; I200-F256 HydrophobicContact CD1-CZ 4.29Å; I200-F256 HydrophobicContact CG1-CE2 3.93Å; I200-F256 HydrophobicContact CG1-CZ 4.01Å |
| 201 | C | 94.1 | Very high | 93.4 | Very high | 74 Ų | 74 | 45.8 Ų | 45.8 | 50% | 0.5 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.4 | -43.2 | 174.5 | -61.8 | 0 | 0 | 0 | 0 | 111.4 | V198 F203 A204 V205 | V198-C201 WeakPolarHBondContact O-CB 3.48Å; V198-C201 PolarHBondContact O-N 3.4Å; V198-C201 VanDerWaalsContact O-N 3.17Å; C201-F203 VanDerWaalsContact C-N 3.32Å; C201-F203 PolarHBondContact O-N 3.3Å; C201-A204 WeakPolarHBondContact O-CB 3.43Å; C201-A204 PolarHBondContact O-N 3.48Å; C201-V205 WeakPolarHBondContact O-CG2 3.37Å; C201-V205 PolarHBondContact O-N 3.09Å |
| 202 | Q | 94.1 | Very high | 93.7 | Very high | 18 Ų | 18 | 40.8 Ų | 40.8 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.6 | -41.9 | 174.6 | -178.9 | 67.6 | 40.5 | 0 | 0 | 111.9 | H133 V198 Y199 A204 V205 H206 | H133-Q202 PolarHBondContact NE2-NE2 2.7Å; V198-Q202 PolarHBondContact O-N 3.09Å; Y199-Q202 PolarHBondContact O-N 3.21Å; Q202-A204 VanDerWaalsContact C-N 3.34Å; Q202-A204 PolarHBondContact O-N 2.89Å; Q202-V205 WeakPolarHBondContact O-CB 3.48Å; Q202-V205 PolarHBondContact O-N 3.47Å; Q202-H206 PolarHBondContact NE2-NE2 2.86Å; Q202-H206 PolarHBondContact O-N 2.87Å |
| 203 | F | 95.5 | Very high | 93.9 | Very high | 59 Ų | 59 | 45.6 Ų | 45.6 | 26% | 0.259 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.6 | -42 | 176.7 | 176.3 | -107.5 | 0 | 0 | 0 | 111.5 | Y199 I200 C201 V205 H206 V207 A249 L253 | Y199-F203 WeakPolarHBondContact O-CB 3.3Å; Y199-F203 PolarHBondContact O-N 2.92Å; I200-F203 PolarHBondContact O-N 2.97Å; C201-F203 VanDerWaalsContact C-N 3.32Å; C201-F203 PolarHBondContact O-N 3.3Å; F203-V205 VanDerWaalsContact C-N 3.31Å; F203-V205 PolarHBondContact O-N 3.25Å; F203-H206 PolarHBondContact O-N 2.84Å; F203-V207 HydrophobicContact CE1-CG2 4.11Å; F203-V207 HydrophobicContact CE2-CG2 4.28Å; F203-V207 HydrophobicContact CZ-CG2 3.94Å; F203-V207 PolarHBondContact O-N 2.81Å; F203-V207 VanDerWaalsContact O-N 3.1Å; F203-A249 WeakPolarHBondContact CE2-O 3.47Å; F203-L253 HydrophobicContact CE2-CB 3.79Å; F203-L253 HydrophobicContact CE2-CD1 4.38Å; F203-L253 HydrophobicContact CZ-CB 4.21Å; F203-L253 HydrophobicContact CZ-CD1 4.12Å |
| 204 | A | 95.4 | Very high | 93.9 | Very high | 48 Ų | 48 | 45 Ų | 45 | 40% | 0.397 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.7 | -43.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I200 C201 Q202 H206 V207 L208 | I200-A204 PolarHBondContact O-N 3.11Å; C201-A204 WeakPolarHBondContact O-CB 3.43Å; C201-A204 PolarHBondContact O-N 3.48Å; Q202-A204 VanDerWaalsContact C-N 3.34Å; Q202-A204 PolarHBondContact O-N 2.89Å; A204-H206 VanDerWaalsContact C-N 3.35Å; A204-H206 PolarHBondContact O-N 3.15Å; A204-V207 PolarHBondContact O-N 3.42Å; A204-V207 VanDerWaalsContact O-N 3.16Å; A204-L208 VanDerWaalsContact O-CG 3.31Å; A204-L208 WeakPolarHBondContact O-CG 3.38Å; A204-L208 PolarHBondContact O-N 3.38Å |
| 205 | V | 94.3 | Very high | 93.9 | Very high | 33 Ų | 33 | 47.2 Ų | 47.2 | 20% | 0.2 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.8 | -44.5 | 174.5 | 172 | 0 | 0 | 0 | 0 | 111.7 | F168 C201 Q202 F203 V207 L208 Q209 | F168-V205 HydrophobicContact CD2-CG1 4.47Å; F168-V205 HydrophobicContact CE2-CG1 4.16Å; F168-V205 HydrophobicContact CZ-CG1 4.42Å; C201-V205 WeakPolarHBondContact O-CG2 3.37Å; C201-V205 PolarHBondContact O-N 3.09Å; Q202-V205 WeakPolarHBondContact O-CB 3.48Å; Q202-V205 PolarHBondContact O-N 3.47Å; F203-V205 VanDerWaalsContact C-N 3.31Å; F203-V205 PolarHBondContact O-N 3.25Å; V205-V207 VanDerWaalsContact C-N 3.31Å; V205-V207 PolarHBondContact O-N 2.94Å; V205-L208 PolarHBondContact O-N 3.06Å; V205-Q209 HydrophobicContact CG1-CG 4.22Å; V205-Q209 WeakPolarHBondContact O-CB 3.43Å; V205-Q209 VanDerWaalsContact O-CG 3.26Å; V205-Q209 WeakPolarHBondContact O-CG 3.44Å; V205-Q209 PolarHBondContact O-N 3.06Å |
| 206 | H | 95.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 176.1 | -70.2 | 147.9 | 0 | 0 | 0 | 112.9 | H133 Q202 F203 A204 Q209 A210 A249 S252 | H133-H206 AromaticContact CD2-NE2 3.95Å; H133-H206 AromaticContact CE1-CD2 3.44Å; H133-H206 PolarHBondContact CE1-CD2 3.45Å; H133-H206 VanDerWaalsContact CE1-CD2 3.44Å; H133-H206 AromaticContact CE1-NE2 3.35Å; H133-H206 PolarHBondContact CE1-NE2 2.97Å; H133-H206 AromaticContact CG-NE2 3.49Å; H133-H206 AromaticContact ND1-CD2 3.41Å; H133-H206 PolarHBondContact ND1-CD2 3.18Å; H133-H206 AromaticContact ND1-NE2 3.11Å; H133-H206 PolarHBondContact ND1-NE2 3.49Å; H133-H206 VanDerWaalsContact ND1-NE2 3.11Å; H133-H206 AromaticContact NE2-NE2 3.87Å; Q202-H206 PolarHBondContact NE2-NE2 2.86Å; Q202-H206 PolarHBondContact O-N 2.87Å; F203-H206 PolarHBondContact O-N 2.84Å; A204-H206 VanDerWaalsContact C-N 3.35Å; A204-H206 PolarHBondContact O-N 3.15Å; H206-Q209 PolarHBondContact O-N 2.94Å; H206-A210 WeakPolarHBondContact O-CB 3.24Å; H206-A210 PolarHBondContact O-N 3.17Å; H206-A249 HydrophobicContact CB-CB 3.94Å; H206-S252 PolarHBondContact CE1-OG 3.48Å; H206-S252 PolarHBondContact ND1-OG 2.93Å |
| 207 | V | 96.7 | Very high | 93.9 | Very high | 70 Ų | 70 | 50.7 Ų | 50.7 | 42% | 0.424 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.6 | -43.9 | 176.6 | 175 | 0 | 0 | 0 | 0 | 110.9 | F203 A204 V205 Q209 A210 A211 | F203-V207 HydrophobicContact CE1-CG2 4.11Å; F203-V207 HydrophobicContact CE2-CG2 4.28Å; F203-V207 HydrophobicContact CZ-CG2 3.94Å; F203-V207 PolarHBondContact O-N 2.81Å; F203-V207 VanDerWaalsContact O-N 3.1Å; A204-V207 PolarHBondContact O-N 3.42Å; A204-V207 VanDerWaalsContact O-N 3.16Å; V205-V207 VanDerWaalsContact C-N 3.31Å; V205-V207 PolarHBondContact O-N 2.94Å; V207-Q209 VanDerWaalsContact C-N 3.35Å; V207-Q209 PolarHBondContact O-N 3.31Å; V207-A210 PolarHBondContact O-N 3.44Å; V207-A211 PolarHBondContact O-N 2.9Å |
| 208 | L | 95.6 | Very high | 94.1 | Very high | 68 Ų | 68 | 44.2 Ų | 44.2 | 36% | 0.356 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.3 | -39.7 | 177.5 | -65.4 | 174.4 | 0 | 0 | 0 | 112 | A204 V205 A211 G212 F213 | A204-L208 VanDerWaalsContact O-CG 3.31Å; A204-L208 WeakPolarHBondContact O-CG 3.38Å; A204-L208 PolarHBondContact O-N 3.38Å; V205-L208 PolarHBondContact O-N 3.06Å; L208-A211 PolarHBondContact O-N 2.85Å; L208-G212 PolarHBondContact O-N 3.38Å; L208-F213 HydrophobicContact CD2-CD2 4.33Å; L208-F213 HydrophobicContact CD2-CE2 3.61Å |
| 209 | Q | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.6 | -41.5 | 175.5 | -71.2 | 171.9 | -24 | 0 | 0 | 112.1 | H133 V205 H206 V207 A211 G212 G220 F245 | H133-Q209 PolarHBondContact CE1-OE1 3.32Å; V205-Q209 HydrophobicContact CG1-CG 4.22Å; V205-Q209 WeakPolarHBondContact O-CB 3.43Å; V205-Q209 VanDerWaalsContact O-CG 3.26Å; V205-Q209 WeakPolarHBondContact O-CG 3.44Å; V205-Q209 PolarHBondContact O-N 3.06Å; H206-Q209 PolarHBondContact O-N 2.94Å; V207-Q209 VanDerWaalsContact C-N 3.35Å; V207-Q209 PolarHBondContact O-N 3.31Å; Q209-A211 VanDerWaalsContact C-N 3.33Å; Q209-A211 PolarHBondContact O-N 3.08Å; Q209-G212 PolarHBondContact O-N 3.32Å; Q209-G220 WeakPolarHBondContact O-CA 3.43Å; Q209-F245 HydrophobicContact CB-CD1 3.73Å; Q209-F245 HydrophobicContact CB-CD2 4.42Å; Q209-F245 HydrophobicContact CB-CE1 3.93Å; Q209-F245 HydrophobicContact CB-CG 4Å; Q209-F245 HydrophobicContact CB-CZ 4.35Å; Q209-F245 HydrophobicContact CG-CD1 4.49Å; Q209-F245 HydrophobicContact CG-CE1 4.27Å |
| 210 | A | 97.5 | Very high | 94.3 | Very high | 11 Ų | 11 | 42.5 Ų | 42.5 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.4 | -37.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | H206 V207 G220 W221 F245 | H206-A210 WeakPolarHBondContact O-CB 3.24Å; H206-A210 PolarHBondContact O-N 3.17Å; V207-A210 PolarHBondContact O-N 3.44Å; A210-G220 CarbonylContact O-C 3.53Å; A210-G220 VanDerWaalsContact O-CA 3.26Å; A210-G220 WeakPolarHBondContact O-CA 3.04Å; A210-W221 VanDerWaalsContact O-CD1 3.23Å; A210-W221 PolarHBondContact O-N 3.34Å; A210-F245 HydrophobicContact CB-CB 4.1Å |
| 211 | A | 96.9 | Very high | 94.4 | Very high | 26 Ų | 26 | 43 Ų | 43 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.5 | -44.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V207 L208 Q209 F213 W221 I222 | V207-A211 PolarHBondContact O-N 2.9Å; L208-A211 PolarHBondContact O-N 2.85Å; Q209-A211 VanDerWaalsContact C-N 3.33Å; Q209-A211 PolarHBondContact O-N 3.08Å; A211-F213 HydrophobicContact CB-CD2 4.38Å; A211-F213 HydrophobicContact CB-CE2 3.91Å; A211-F213 HydrophobicContact CB-CZ 4.18Å; A211-W221 PolarHBondContact O-N 2.88Å; A211-I222 WeakPolarHBondContact O-CB 3.32Å; A211-I222 VanDerWaalsContact O-CG1 3.32Å; A211-I222 WeakPolarHBondContact O-CG1 3.34Å; A211-I222 PolarHBondContact O-N 2.79Å |
| 212 | G | 93.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 56.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L208 Q209 S223 | L208-G212 PolarHBondContact O-N 3.38Å; Q209-G212 PolarHBondContact O-N 3.32Å; G212-S223 PolarHBondContact O-N 2.82Å; G212-S223 PolarHBondContact O-OG 3.18Å |
| 213 | F | 91.8 | Very high | 94.4 | Very high | 102 Ų | 102 | 41.9 Ų | 41.9 | 45% | 0.447 | 21% | 0.213 | S | C | . | . | trans | -56.3 | 147.7 | 175.8 | -64.6 | -74.6 | 0 | 0 | 0 | 112 | L208 A211 W216 I222 | L208-F213 HydrophobicContact CD2-CD2 4.33Å; L208-F213 HydrophobicContact CD2-CE2 3.61Å; A211-F213 HydrophobicContact CB-CD2 4.38Å; A211-F213 HydrophobicContact CB-CE2 3.91Å; A211-F213 HydrophobicContact CB-CZ 4.18Å; F213-W216 HydrophobicContact CB-CB 4.21Å; F213-W216 WeakPolarHBondContact O-CB 3.41Å; F213-W216 PolarHBondContact O-N 2.71Å; F213-I222 HydrophobicContact CD1-CD1 4.18Å; F213-I222 HydrophobicContact CE1-CD1 4.22Å | ||
| 214 | H | 86.6 | Confident | 94.4 | Very high | 94 Ų | 94 | 39.1 Ų | 39.1 | 44% | 0.435 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 140.4 | 177.2 | -61.8 | 96.2 | 0 | 0 | 0 | 111.2 | W216 I222 | H214-W216 PolarHBondContact O-N 3.3Å; H214-I222 WeakPolarHBondContact CE1-CG2 3.34Å |
| 215 | N | 89 | Confident | 94.3 | Very high | 92 Ų | 92 | 41.1 Ų | 41.1 | 49% | 0.492 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 23.2 | 179.8 | -52.8 | -35.8 | 0 | 0 | 0 | 113.8 | D157 L160 | D157-N215 WeakPolarHBondContact OD1-CA 3.45Å; D157-N215 PolarHBondContact OD1-N 3.49Å; D157-N215 VanDerWaalsContact OD1-N 3.11Å; L160-N215 WeakPolarHBondContact CD1-O 3.35Å |
| 216 | W | 92.1 | Very high | 94.2 | Very high | 97 Ų | 97 | 41.6 Ų | 41.6 | 37% | 0.367 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -102.2 | -6.9 | 174.7 | -167.9 | -111 | 0 | 0 | 0 | 112.1 | D157 W164 F213 H214 N218 | D157-W216 PolarHBondContact OD1-N 2.84Å; W164-W216 PolarHBondContact NE1-O 2.93Å; F213-W216 HydrophobicContact CB-CB 4.21Å; F213-W216 WeakPolarHBondContact O-CB 3.41Å; F213-W216 PolarHBondContact O-N 2.71Å; H214-W216 PolarHBondContact O-N 3.3Å; W216-N218 PolarHBondContact NE1-ND2 3.13Å; W216-N218 PolarHBondContact O-ND2 2.82Å; W216-N218 VanDerWaalsContact O-ND2 3.1Å |
| 217 | G | 93.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 71.2 | 29.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | N140 D157 S161 | N140-G217 PolarHBondContact ND2-O 2.64Å; D157-G217 WeakPolarHBondContact O-CA 3.26Å; D157-G217 PolarHBondContact OD1-N 2.85Å; S161-G217 WeakPolarHBondContact CB-O 3.26Å |
| 218 | N | 95.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.011 | 20% | 0.201 | C | C | . | . | trans | -131.5 | 128.4 | 176 | -68.1 | -82.4 | 0 | 0 | 0 | 111.2 | N140 W216 G220 F245 | N140-N218 WeakPolarHBondContact OD1-CA 3.3Å; W216-N218 PolarHBondContact NE1-ND2 3.13Å; W216-N218 PolarHBondContact O-ND2 2.82Å; W216-N218 VanDerWaalsContact O-ND2 3.1Å; N218-G220 PolarHBondContact O-N 2.78Å; N218-F245 HydrophobicContact CB-CE2 4.45Å | ||
| 219 | C | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -76.9 | 59.3 | 172.6 | -60.7 | 0 | 0 | 0 | 0 | 111.3 | N140 C144 M238 I241 A242 | N140-C219 PolarHBondContact OD1-N 3.23Å; C144-C219 PolarHBondContact N-SG 3.13Å; C144-C219 VanDerWaalsContact N-SG 3.44Å; C219-M238 HydrophobicContact CB-CB 4.05Å; C219-M238 HydrophobicContact CB-CE 4.21Å; C219-M238 HydrophobicContact CB-CG 4.05Å; C219-I241 HydrophobicContact CB-CB 4.06Å; C219-I241 HydrophobicContact CB-CD1 4.3Å; C219-I241 HydrophobicContact CB-CG2 3.83Å; C219-A242 WeakPolarHBondContact O-CA 3.31Å; C219-A242 WeakPolarHBondContact O-CB 3.49Å; C219-A242 PolarHBondContact O-N 2.98Å | ||
| 220 | G | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -82.8 | -174.7 | 171 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q209 A210 N218 I222 S223 S224 | Q209-G220 WeakPolarHBondContact O-CA 3.43Å; A210-G220 CarbonylContact O-C 3.53Å; A210-G220 VanDerWaalsContact O-CA 3.26Å; A210-G220 WeakPolarHBondContact O-CA 3.04Å; N218-G220 PolarHBondContact O-N 2.78Å; G220-I222 PolarHBondContact O-N 3.34Å; G220-S223 PolarHBondContact O-N 3.49Å; G220-S224 WeakPolarHBondContact O-CB 3.38Å; G220-S224 PolarHBondContact O-N 3.44Å; G220-S224 PolarHBondContact O-OG 3.27Å | ||
| 221 | W | 97.6 | Very high | 93.3 | Very high | 107 Ų | 107 | 51.5 Ų | 51.5 | 41% | 0.405 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -54.9 | -48.5 | -172.3 | -74.3 | 108.1 | 0 | 0 | 0 | 113.3 | A210 A211 S223 S224 L225 I239 A242 T246 | A210-W221 VanDerWaalsContact O-CD1 3.23Å; A210-W221 PolarHBondContact O-N 3.34Å; A211-W221 PolarHBondContact O-N 2.88Å; W221-S223 PolarHBondContact O-N 3.24Å; W221-S224 WeakPolarHBondContact CA-OG 3.16Å; W221-S224 PolarHBondContact O-N 3.44Å; W221-S224 PolarHBondContact O-OG 2.94Å; W221-L225 VanDerWaalsContact O-CG 3.27Å; W221-L225 WeakPolarHBondContact O-CG 3.41Å; W221-L225 PolarHBondContact O-N 3.28Å; W221-I239 HydrophobicContact CH2-CG2 4.45Å; W221-I239 HydrophobicContact CZ3-CG2 4.21Å; W221-A242 HydrophobicContact CD2-CB 4.06Å; W221-A242 HydrophobicContact CE3-CB 4.41Å; W221-A242 HydrophobicContact CG-CB 4.24Å; W221-T246 PolarHBondContact NE1-OG1 3.42Å |
| 222 | I | 95.1 | Very high | 93.3 | Very high | 67 Ų | 67 | 55.5 Ų | 55.5 | 34% | 0.344 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.8 | -53 | -178.5 | -63.1 | 167.8 | 0 | 0 | 0 | 110.3 | A211 F213 H214 G220 S224 L225 T226 | A211-I222 WeakPolarHBondContact O-CB 3.32Å; A211-I222 VanDerWaalsContact O-CG1 3.32Å; A211-I222 WeakPolarHBondContact O-CG1 3.34Å; A211-I222 PolarHBondContact O-N 2.79Å; F213-I222 HydrophobicContact CD1-CD1 4.18Å; F213-I222 HydrophobicContact CE1-CD1 4.22Å; H214-I222 WeakPolarHBondContact CE1-CG2 3.34Å; G220-I222 PolarHBondContact O-N 3.34Å; I222-S224 VanDerWaalsContact C-N 3.32Å; I222-S224 PolarHBondContact O-N 3.16Å; I222-L225 PolarHBondContact O-N 3.26Å; I222-T226 PolarHBondContact O-N 3.49Å; I222-T226 VanDerWaalsContact O-N 3.15Å; I222-T226 PolarHBondContact O-OG1 3.18Å |
| 223 | S | 93.4 | Very high | 93.4 | Very high | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62 | -37.9 | 179.2 | -71 | 0 | 0 | 0 | 0 | 112.6 | G212 G220 W221 T226 G227 M238 | G212-S223 PolarHBondContact O-N 2.82Å; G212-S223 PolarHBondContact O-OG 3.18Å; G220-S223 PolarHBondContact O-N 3.49Å; W221-S223 PolarHBondContact O-N 3.24Å; S223-T226 PolarHBondContact O-N 3.24Å; S223-G227 PolarHBondContact O-N 3.09Å; S223-M238 VanDerWaalsContact C-CE 3.5Å; S223-M238 VanDerWaalsContact O-CE 3.3Å; S223-M238 WeakPolarHBondContact O-CE 3.48Å |
| 224 | S | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.5 | -35.1 | 179.9 | 73.6 | 0 | 0 | 0 | 0 | 113.8 | G220 W221 I222 G227 L228 | G220-S224 WeakPolarHBondContact O-CB 3.38Å; G220-S224 PolarHBondContact O-N 3.44Å; G220-S224 PolarHBondContact O-OG 3.27Å; W221-S224 WeakPolarHBondContact CA-OG 3.16Å; W221-S224 PolarHBondContact O-N 3.44Å; W221-S224 PolarHBondContact O-OG 2.94Å; I222-S224 VanDerWaalsContact C-N 3.32Å; I222-S224 PolarHBondContact O-N 3.16Å; S224-G227 CarbonylContact O-C 3.59Å; S224-G227 WeakPolarHBondContact O-CA 3.03Å; S224-G227 PolarHBondContact O-N 3.42Å; S224-G227 VanDerWaalsContact O-N 3.17Å; S224-L228 PolarHBondContact O-N 3.11Å |
| 225 | L | 94.4 | Very high | 94.1 | Very high | 91 Ų | 91 | 51.3 Ų | 51.3 | 48% | 0.476 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -72 | -38.7 | 176 | -68.5 | 172.8 | 0 | 0 | 0 | 111.1 | W221 I222 G227 L228 N229 | W221-L225 VanDerWaalsContact O-CG 3.27Å; W221-L225 WeakPolarHBondContact O-CG 3.41Å; W221-L225 PolarHBondContact O-N 3.28Å; I222-L225 PolarHBondContact O-N 3.26Å; L225-G227 PolarHBondContact O-N 3.44Å; L225-L228 HydrophobicContact CD2-CD1 4.45Å; L225-L228 PolarHBondContact O-N 3.3Å; L225-N229 PolarHBondContact O-N 2.84Å; L225-N229 PolarHBondContact O-ND2 3.46Å; L225-N229 VanDerWaalsContact O-ND2 3.1Å |
| 226 | T | 91.5 | Very high | 94.5 | Very high | 43 Ų | 43 | 51.1 Ų | 51.1 | 26% | 0.264 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.7 | -40.4 | 166.9 | -54.6 | 0 | 0 | 0 | 0 | 110.4 | W147 I222 S223 L228 N229 Q230 | W147-T226 HydrophobicContact CZ2-CG2 4.08Å; I222-T226 PolarHBondContact O-N 3.49Å; I222-T226 VanDerWaalsContact O-N 3.15Å; I222-T226 PolarHBondContact O-OG1 3.18Å; S223-T226 PolarHBondContact O-N 3.24Å; T226-L228 PolarHBondContact O-N 2.9Å; T226-N229 PolarHBondContact O-N 2.77Å; T226-Q230 PolarHBondContact O-N 3.18Å |
| 227 | G | 90 | Very high | 94.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -39.5 | -63.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S223 S224 L225 N229 Q230 N231 | S223-G227 PolarHBondContact O-N 3.09Å; S224-G227 CarbonylContact O-C 3.59Å; S224-G227 WeakPolarHBondContact O-CA 3.03Å; S224-G227 PolarHBondContact O-N 3.42Å; S224-G227 VanDerWaalsContact O-N 3.17Å; L225-G227 PolarHBondContact O-N 3.44Å; G227-N229 PolarHBondContact O-N 3.35Å; G227-Q230 PolarHBondContact O-N 3.41Å; G227-Q230 VanDerWaalsContact O-N 3.12Å; G227-N231 CarbonylContact O-C 3.57Å; G227-N231 PolarHBondContact O-N 2.95Å; G227-N231 VanDerWaalsContact O-O 3.14Å |
| 228 | L | 93.4 | Very high | 94.9 | Very high | 55 Ų | 55 | 49.6 Ų | 49.6 | 29% | 0.288 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.5 | -33.1 | -175.7 | -76.3 | 179.8 | 0 | 0 | 0 | 113.8 | S224 L225 T226 Q230 I236 I239 | S224-L228 PolarHBondContact O-N 3.11Å; L225-L228 HydrophobicContact CD2-CD1 4.45Å; L225-L228 PolarHBondContact O-N 3.3Å; T226-L228 PolarHBondContact O-N 2.9Å; L228-Q230 VanDerWaalsContact C-N 3.29Å; L228-Q230 PolarHBondContact O-N 3.25Å; L228-I236 HydrophobicContact CD2-CG1 4.03Å; L228-I239 HydrophobicContact CD1-CD1 3.42Å; L228-I239 VanDerWaalsContact CD1-CD1 3.42Å; L228-I239 HydrophobicContact CD2-CD1 4.32Å; L228-I239 HydrophobicContact CG-CD1 3.95Å |
| 229 | N | 92.6 | Very high | 95 | Very high | 144 Ų | 144 | 51.8 Ų | 51.8 | 77% | 0.77 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -74 | -20.4 | -179.3 | -72.6 | -50.3 | 0 | 0 | 0 | 113.2 | L225 T226 G227 | L225-N229 PolarHBondContact O-N 2.84Å; L225-N229 PolarHBondContact O-ND2 3.46Å; L225-N229 VanDerWaalsContact O-ND2 3.1Å; T226-N229 PolarHBondContact O-N 2.77Å; G227-N229 PolarHBondContact O-N 3.35Å |
| 230 | Q | 91.8 | Very high | 95.1 | Very high | 104 Ų | 104 | 56.6 Ų | 56.6 | 49% | 0.486 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -103.9 | -44.6 | 178.8 | -61.4 | -173.4 | -6.1 | 0 | 0 | 112.5 | W147 T226 G227 L228 | W147-Q230 HydrophobicContact CH2-CB 3.79Å; W147-Q230 HydrophobicContact CH2-CG 3.93Å; W147-Q230 HydrophobicContact CZ3-CB 4.12Å; T226-Q230 PolarHBondContact O-N 3.18Å; G227-Q230 PolarHBondContact O-N 3.41Å; G227-Q230 VanDerWaalsContact O-N 3.12Å; L228-Q230 VanDerWaalsContact C-N 3.29Å; L228-Q230 PolarHBondContact O-N 3.25Å |
| 231 | N | 95.4 | Very high | 95.2 | Very high | 54 Ų | 54 | 56.9 Ų | 56.9 | 29% | 0.289 | 29% | 0.294 | S | S | . | . | trans | -147.4 | 109.2 | -179.9 | -172.7 | -71.9 | 0 | 0 | 0 | 110.2 | V150 G227 P233 V234 G235 | V150-N231 HydrophobicContact CG1-CB 3.9Å; V150-N231 HydrophobicContact CG2-CB 3.9Å; G227-N231 CarbonylContact O-C 3.57Å; G227-N231 PolarHBondContact O-N 2.95Å; G227-N231 VanDerWaalsContact O-O 3.14Å; N231-P233 WeakPolarHBondContact OD1-CD 3.39Å; N231-V234 HydrophobicContact CB-CB 4.3Å; N231-V234 HydrophobicContact CB-CG2 4.44Å; N231-V234 PolarHBondContact O-N 3.49Å; N231-V234 WeakPolarHBondContact OD1-CG2 3.19Å; N231-V234 PolarHBondContact OD1-N 3.32Å; N231-V234 VanDerWaalsContact OD1-N 3.1Å; N231-G235 PolarHBondContact O-N 3.36Å | ||
| 232 | I | 95.6 | Very high | 95.2 | Very high | 111 Ų | 111 | 51.8 Ų | 51.8 | 57% | 0.569 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -57.4 | -50.8 | -175.2 | -63.4 | 169.7 | 0 | 0 | 0 | 112 | V234 G235 I236 | I232-V234 PolarHBondContact O-N 3.47Å; I232-G235 PolarHBondContact O-N 3.41Å; I232-I236 HydrophobicContact CG2-CD1 3.77Å; I232-I236 HydrophobicContact CG2-CG1 4.32Å; I232-I236 WeakPolarHBondContact O-CG1 3.49Å; I232-I236 PolarHBondContact O-N 3.19Å |
| 233 | P | 96.3 | Very high | 95.4 | Very high | 94 Ų | 94 | 50.8 Ų | 50.8 | 61% | 0.61 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -53.8 | -46.9 | 176.8 | -27.9 | 32 | 0 | 0 | 0 | 114.3 | N231 I236 M237 | N231-P233 WeakPolarHBondContact OD1-CD 3.39Å; P233-I236 PolarHBondContact O-N 3Å; P233-M237 PolarHBondContact O-N 3.47Å |
| 234 | V | 96.2 | Very high | 95.6 | Very high | 14 Ų | 14 | 52.6 Ų | 52.6 | 9% | 0.085 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69 | -41.3 | 179.7 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | A146 W147 V150 N231 I232 I236 M237 M238 | A146-V234 HydrophobicContact CB-CG1 4.05Å; A146-V234 HydrophobicContact CB-CG2 4.16Å; W147-V234 HydrophobicContact CB-CG1 4.24Å; W147-V234 HydrophobicContact CE3-CB 4.39Å; W147-V234 HydrophobicContact CE3-CG1 3.66Å; W147-V234 HydrophobicContact CZ3-CG1 4.48Å; V150-V234 HydrophobicContact CG2-CB 4.41Å; V150-V234 HydrophobicContact CG2-CG2 3.74Å; N231-V234 HydrophobicContact CB-CB 4.3Å; N231-V234 HydrophobicContact CB-CG2 4.44Å; N231-V234 PolarHBondContact O-N 3.49Å; N231-V234 WeakPolarHBondContact OD1-CG2 3.19Å; N231-V234 PolarHBondContact OD1-N 3.32Å; N231-V234 VanDerWaalsContact OD1-N 3.1Å; I232-V234 PolarHBondContact O-N 3.47Å; V234-I236 VanDerWaalsContact C-N 3.34Å; V234-I236 PolarHBondContact O-N 3.18Å; V234-M237 HydrophobicContact CG1-CE 4.24Å; V234-M237 HydrophobicContact CG2-CE 4.43Å; V234-M237 PolarHBondContact O-N 3.42Å; V234-M238 HydrophobicContact CG1-CG 4.28Å; V234-M238 HydrophobicContact CG1-SD 3.94Å; V234-M238 VanDerWaalsContact O-CG 3.28Å; V234-M238 WeakPolarHBondContact O-CG 3.12Å; V234-M238 PolarHBondContact O-N 2.88Å |
| 235 | G | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58 | -41.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N231 I232 M238 I239 | N231-G235 PolarHBondContact O-N 3.36Å; I232-G235 PolarHBondContact O-N 3.41Å; G235-M238 PolarHBondContact O-N 2.85Å; G235-I239 WeakPolarHBondContact O-CG1 3.34Å; G235-I239 PolarHBondContact O-N 2.98Å |
| 236 | I | 97.1 | Very high | 95.9 | Very high | 88 Ų | 88 | 50.3 Ų | 50.3 | 45% | 0.451 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 176.4 | -69 | 168 | 0 | 0 | 0 | 111 | L228 I232 P233 V234 M238 I239 I240 | L228-I236 HydrophobicContact CD2-CG1 4.03Å; I232-I236 HydrophobicContact CG2-CD1 3.77Å; I232-I236 HydrophobicContact CG2-CG1 4.32Å; I232-I236 WeakPolarHBondContact O-CG1 3.49Å; I232-I236 PolarHBondContact O-N 3.19Å; P233-I236 PolarHBondContact O-N 3Å; V234-I236 VanDerWaalsContact C-N 3.34Å; V234-I236 PolarHBondContact O-N 3.18Å; I236-M238 VanDerWaalsContact C-N 3.32Å; I236-M238 PolarHBondContact O-N 3.22Å; I236-I239 WeakPolarHBondContact O-CB 3.26Å; I236-I239 PolarHBondContact O-N 3.42Å; I236-I240 HydrophobicContact CG2-CD1 4.42Å; I236-I240 WeakPolarHBondContact O-CG1 3.3Å; I236-I240 PolarHBondContact O-N 2.99Å; I236-I240 VanDerWaalsContact O-N 3.09Å |
| 237 | M | 96.8 | Very high | 96.2 | Very high | 63 Ų | 63 | 50 Ų | 50 | 31% | 0.31 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 176.1 | 172.6 | 174.8 | 39.3 | 0 | 0 | 111.8 | A146 P233 V234 I239 I240 I241 | A146-M237 HydrophobicContact CB-CE 3.16Å; A146-M237 HydrophobicContact CB-SD 4.36Å; P233-M237 PolarHBondContact O-N 3.47Å; V234-M237 HydrophobicContact CG1-CE 4.24Å; V234-M237 HydrophobicContact CG2-CE 4.43Å; V234-M237 PolarHBondContact O-N 3.42Å; M237-I239 VanDerWaalsContact C-N 3.32Å; M237-I239 PolarHBondContact O-N 3.17Å; M237-I240 PolarHBondContact O-N 3.4Å; M237-I241 HydrophobicContact CG-CD1 4.22Å; M237-I241 WeakPolarHBondContact O-CG1 3.14Å; M237-I241 PolarHBondContact O-N 3.01Å; M237-I241 VanDerWaalsContact O-N 3.16Å |
| 238 | M | 97 | Very high | 96.5 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.2 | -35.7 | 176 | -66.4 | 173.1 | 77.6 | 0 | 0 | 112 | W147 C219 S223 V234 G235 I236 I241 A242 | W147-M238 HydrophobicContact CB-CE 4.44Å; W147-M238 HydrophobicContact CB-SD 4.14Å; W147-M238 HydrophobicContact CD2-CE 4.12Å; W147-M238 HydrophobicContact CD2-SD 3.78Å; W147-M238 HydrophobicContact CE3-SD 3.81Å; W147-M238 HydrophobicContact CG-CE 4Å; W147-M238 HydrophobicContact CG-SD 3.96Å; C219-M238 HydrophobicContact CB-CB 4.05Å; C219-M238 HydrophobicContact CB-CE 4.21Å; C219-M238 HydrophobicContact CB-CG 4.05Å; S223-M238 VanDerWaalsContact C-CE 3.5Å; S223-M238 VanDerWaalsContact O-CE 3.3Å; S223-M238 WeakPolarHBondContact O-CE 3.48Å; V234-M238 HydrophobicContact CG1-CG 4.28Å; V234-M238 HydrophobicContact CG1-SD 3.94Å; V234-M238 VanDerWaalsContact O-CG 3.28Å; V234-M238 WeakPolarHBondContact O-CG 3.12Å; V234-M238 PolarHBondContact O-N 2.88Å; G235-M238 PolarHBondContact O-N 2.85Å; I236-M238 VanDerWaalsContact C-N 3.32Å; I236-M238 PolarHBondContact O-N 3.22Å; M238-I241 PolarHBondContact O-N 3.25Å; M238-A242 WeakPolarHBondContact O-CB 3.48Å; M238-A242 PolarHBondContact O-N 3.1Å |
| 239 | I | 98 | Very high | 96.7 | Very high | 47 Ų | 47 | 48 Ų | 48 | 24% | 0.241 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 174.4 | -77 | 175.4 | 0 | 0 | 0 | 111.4 | W221 L228 G235 I236 M237 I241 A242 A243 | W221-I239 HydrophobicContact CH2-CG2 4.45Å; W221-I239 HydrophobicContact CZ3-CG2 4.21Å; L228-I239 HydrophobicContact CD1-CD1 3.42Å; L228-I239 VanDerWaalsContact CD1-CD1 3.42Å; L228-I239 HydrophobicContact CD2-CD1 4.32Å; L228-I239 HydrophobicContact CG-CD1 3.95Å; G235-I239 WeakPolarHBondContact O-CG1 3.34Å; G235-I239 PolarHBondContact O-N 2.98Å; I236-I239 WeakPolarHBondContact O-CB 3.26Å; I236-I239 PolarHBondContact O-N 3.42Å; M237-I239 VanDerWaalsContact C-N 3.32Å; M237-I239 PolarHBondContact O-N 3.17Å; I239-I241 VanDerWaalsContact C-N 3.28Å; I239-I241 PolarHBondContact O-N 2.82Å; I239-A242 PolarHBondContact O-N 3.16Å; I239-A243 WeakPolarHBondContact O-CB 3.46Å; I239-A243 PolarHBondContact O-N 3.32Å |
| 240 | I | 98.1 | Very high | 96.9 | Very high | 102 Ų | 102 | 45.2 Ų | 45.2 | 52% | 0.523 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.5 | -44.7 | 176 | -65.5 | 166.8 | 0 | 0 | 0 | 109.6 | I236 M237 A243 L244 | I236-I240 HydrophobicContact CG2-CD1 4.42Å; I236-I240 WeakPolarHBondContact O-CG1 3.3Å; I236-I240 PolarHBondContact O-N 2.99Å; I236-I240 VanDerWaalsContact O-N 3.09Å; M237-I240 PolarHBondContact O-N 3.4Å; I240-A243 WeakPolarHBondContact O-CB 3.42Å; I240-A243 PolarHBondContact O-N 3.27Å; I240-L244 WeakPolarHBondContact O-CG 3.38Å; I240-L244 PolarHBondContact O-N 3.49Å |
| 241 | I | 98.1 | Very high | 97.1 | Very high | 6 Ų | 6 | 43.2 Ų | 43.2 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.9 | -42.6 | 177.3 | -63.8 | 160.7 | 0 | 0 | 0 | 111.3 | N140 C219 M237 M238 I239 A243 L244 F245 | N140-I241 HydrophobicContact CB-CG2 4.05Å; C219-I241 HydrophobicContact CB-CB 4.06Å; C219-I241 HydrophobicContact CB-CD1 4.3Å; C219-I241 HydrophobicContact CB-CG2 3.83Å; M237-I241 HydrophobicContact CG-CD1 4.22Å; M237-I241 WeakPolarHBondContact O-CG1 3.14Å; M237-I241 PolarHBondContact O-N 3.01Å; M237-I241 VanDerWaalsContact O-N 3.16Å; M238-I241 PolarHBondContact O-N 3.25Å; I239-I241 VanDerWaalsContact C-N 3.28Å; I239-I241 PolarHBondContact O-N 2.82Å; I241-A243 VanDerWaalsContact C-N 3.29Å; I241-A243 PolarHBondContact O-N 3.4Å; I241-L244 WeakPolarHBondContact O-CB 3.43Å; I241-L244 PolarHBondContact O-N 2.69Å; I241-L244 VanDerWaalsContact O-N 3.12Å; I241-F245 HydrophobicContact CG2-CD2 3.81Å; I241-F245 HydrophobicContact CG2-CE2 3.54Å; I241-F245 HydrophobicContact CG2-CZ 4.48Å; I241-F245 WeakPolarHBondContact O-CD2 3.38Å; I241-F245 PolarHBondContact O-N 3.48Å |
| 242 | A | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.8 | -39.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | C219 W221 M238 I239 F245 T246 | C219-A242 WeakPolarHBondContact O-CA 3.31Å; C219-A242 WeakPolarHBondContact O-CB 3.49Å; C219-A242 PolarHBondContact O-N 2.98Å; W221-A242 HydrophobicContact CD2-CB 4.06Å; W221-A242 HydrophobicContact CE3-CB 4.41Å; W221-A242 HydrophobicContact CG-CB 4.24Å; M238-A242 WeakPolarHBondContact O-CB 3.48Å; M238-A242 PolarHBondContact O-N 3.1Å; I239-A242 PolarHBondContact O-N 3.16Å; A242-F245 PolarHBondContact O-N 3.45Å; A242-T246 WeakPolarHBondContact O-CB 3.41Å; A242-T246 PolarHBondContact O-N 2.92Å; A242-T246 PolarHBondContact O-OG1 3.49Å |
| 243 | A | 98.3 | Very high | 97.2 | Very high | 45 Ų | 45 | 39 Ų | 39 | 37% | 0.372 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.2 | -39.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I239 I240 I241 T246 A247 | I239-A243 WeakPolarHBondContact O-CB 3.46Å; I239-A243 PolarHBondContact O-N 3.32Å; I240-A243 WeakPolarHBondContact O-CB 3.42Å; I240-A243 PolarHBondContact O-N 3.27Å; I241-A243 VanDerWaalsContact C-N 3.29Å; I241-A243 PolarHBondContact O-N 3.4Å; A243-T246 PolarHBondContact O-N 3.24Å; A243-A247 WeakPolarHBondContact O-CB 3.45Å; A243-A247 PolarHBondContact O-N 2.89Å |
| 244 | L | 98.2 | Very high | 97.2 | Very high | 41 Ų | 41 | 38.9 Ų | 38.9 | 22% | 0.215 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.1 | -41.6 | 174.7 | -66.5 | 173 | 0 | 0 | 0 | 112.4 | F132 T136 L139 I240 I241 T246 A247 S248 | F132-L244 WeakPolarHBondContact CE1-O 3.4Å; F132-L244 HydrophobicContact CE2-CD2 3.8Å; F132-L244 HydrophobicContact CZ-CB 4.25Å; F132-L244 HydrophobicContact CZ-CD2 3.65Å; T136-L244 HydrophobicContact CG2-CB 3.63Å; L139-L244 HydrophobicContact CD1-CD1 3.73Å; I240-L244 WeakPolarHBondContact O-CG 3.38Å; I240-L244 PolarHBondContact O-N 3.49Å; I241-L244 WeakPolarHBondContact O-CB 3.43Å; I241-L244 PolarHBondContact O-N 2.69Å; I241-L244 VanDerWaalsContact O-N 3.12Å; L244-T246 VanDerWaalsContact C-N 3.33Å; L244-A247 PolarHBondContact O-N 2.83Å; L244-S248 PolarHBondContact O-N 3.47Å; L244-S248 PolarHBondContact O-OG 3.34Å |
| 245 | F | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.9 | -39.6 | 172.8 | -77.9 | -54.7 | 0 | 0 | 0 | 112 | T136 L137 N140 Q209 A210 N218 I241 A242 S248 A249 | T136-F245 HydrophobicContact CG2-CD1 3.56Å; T136-F245 HydrophobicContact CG2-CD2 4.2Å; T136-F245 HydrophobicContact CG2-CE1 3.58Å; T136-F245 HydrophobicContact CG2-CE2 4.22Å; T136-F245 HydrophobicContact CG2-CG 3.88Å; T136-F245 HydrophobicContact CG2-CZ 3.93Å; L137-F245 HydrophobicContact CD2-CE1 4.16Å; L137-F245 HydrophobicContact CD2-CZ 4.22Å; N140-F245 HydrophobicContact CB-CE2 4.03Å; N140-F245 HydrophobicContact CB-CZ 3.85Å; Q209-F245 HydrophobicContact CB-CD1 3.73Å; Q209-F245 HydrophobicContact CB-CD2 4.42Å; Q209-F245 HydrophobicContact CB-CE1 3.93Å; Q209-F245 HydrophobicContact CB-CG 4Å; Q209-F245 HydrophobicContact CB-CZ 4.35Å; Q209-F245 HydrophobicContact CG-CD1 4.49Å; Q209-F245 HydrophobicContact CG-CE1 4.27Å; A210-F245 HydrophobicContact CB-CB 4.1Å; N218-F245 HydrophobicContact CB-CE2 4.45Å; I241-F245 HydrophobicContact CG2-CD2 3.81Å; I241-F245 HydrophobicContact CG2-CE2 3.54Å; I241-F245 HydrophobicContact CG2-CZ 4.48Å; I241-F245 WeakPolarHBondContact O-CD2 3.38Å; I241-F245 PolarHBondContact O-N 3.48Å; A242-F245 PolarHBondContact O-N 3.45Å; F245-S248 WeakPolarHBondContact O-CB 3.39Å; F245-S248 PolarHBondContact O-N 2.87Å; F245-A249 PolarHBondContact O-N 3.37Å |
| 246 | T | 98.1 | Very high | 96.9 | Very high | 44 Ų | 44 | 40.6 Ų | 40.6 | 27% | 0.27 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.7 | -45.1 | 175.5 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | W221 A242 A243 L244 S248 A249 V250 | W221-T246 PolarHBondContact NE1-OG1 3.42Å; A242-T246 WeakPolarHBondContact O-CB 3.41Å; A242-T246 PolarHBondContact O-N 2.92Å; A242-T246 PolarHBondContact O-OG1 3.49Å; A243-T246 PolarHBondContact O-N 3.24Å; L244-T246 VanDerWaalsContact C-N 3.33Å; T246-S248 VanDerWaalsContact C-N 3.29Å; T246-S248 PolarHBondContact O-N 3.44Å; T246-A249 PolarHBondContact O-N 3.34Å; T246-A249 VanDerWaalsContact O-N 3.17Å; T246-V250 WeakPolarHBondContact O-CG2 3.43Å; T246-V250 PolarHBondContact O-N 3.01Å |
| 247 | A | 97.8 | Very high | 96.7 | Very high | 37 Ų | 37 | 43.4 Ų | 43.4 | 31% | 0.306 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.2 | -41.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F132 A243 L244 A249 V250 I251 | F132-A247 HydrophobicContact CE1-CB 4.15Å; F132-A247 HydrophobicContact CZ-CB 4.17Å; A243-A247 WeakPolarHBondContact O-CB 3.45Å; A243-A247 PolarHBondContact O-N 2.89Å; L244-A247 PolarHBondContact O-N 2.83Å; A247-A249 VanDerWaalsContact C-N 3.35Å; A247-A249 PolarHBondContact O-N 3.02Å; A247-V250 PolarHBondContact O-N 3.25Å; A247-I251 WeakPolarHBondContact O-CB 3.48Å; A247-I251 WeakPolarHBondContact O-CD1 3.4Å; A247-I251 WeakPolarHBondContact O-CG1 3.41Å; A247-I251 PolarHBondContact O-N 2.63Å |
| 248 | S | 96.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.4 | -45.5 | 174.7 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | F132 L244 F245 T246 S252 | F132-S248 VanDerWaalsContact CD1-OG 3.3Å; F132-S248 WeakPolarHBondContact CD1-OG 3.47Å; F132-S248 WeakPolarHBondContact CE1-OG 2.77Å; L244-S248 PolarHBondContact O-N 3.47Å; L244-S248 PolarHBondContact O-OG 3.34Å; F245-S248 WeakPolarHBondContact O-CB 3.39Å; F245-S248 PolarHBondContact O-N 2.87Å; T246-S248 VanDerWaalsContact C-N 3.29Å; T246-S248 PolarHBondContact O-N 3.44Å; S248-S252 WeakPolarHBondContact O-CB 3.41Å; S248-S252 PolarHBondContact O-N 3.42Å; S248-S252 PolarHBondContact O-OG 2.87Å |
| 249 | A | 97 | Very high | 96.1 | Very high | 11 Ų | 11 | 45.2 Ų | 45.2 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.9 | -46.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | F203 H206 F245 T246 A247 S252 L253 | F203-A249 WeakPolarHBondContact CE2-O 3.47Å; H206-A249 HydrophobicContact CB-CB 3.94Å; F245-A249 PolarHBondContact O-N 3.37Å; T246-A249 PolarHBondContact O-N 3.34Å; T246-A249 VanDerWaalsContact O-N 3.17Å; A247-A249 VanDerWaalsContact C-N 3.35Å; A247-A249 PolarHBondContact O-N 3.02Å; A249-S252 WeakPolarHBondContact O-CB 3.22Å; A249-S252 PolarHBondContact O-N 2.81Å; A249-L253 PolarHBondContact O-N 3.47Å |
| 250 | V | 97.8 | Very high | 95.7 | Very high | 86 Ų | 86 | 46.8 Ų | 46.8 | 52% | 0.521 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.8 | -50.2 | 179.8 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | T246 A247 S252 L253 V254 | T246-V250 WeakPolarHBondContact O-CG2 3.43Å; T246-V250 PolarHBondContact O-N 3.01Å; A247-V250 PolarHBondContact O-N 3.25Å; V250-S252 VanDerWaalsContact C-N 3.26Å; V250-S252 PolarHBondContact O-N 3.39Å; V250-L253 PolarHBondContact O-N 3.47Å; V250-V254 WeakPolarHBondContact O-CG2 3.39Å; V250-V254 PolarHBondContact O-N 3.01Å |
| 251 | I | 95.8 | Very high | 95.2 | Very high | 63 Ų | 63 | 43.5 Ų | 43.5 | 32% | 0.323 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.2 | -40.7 | 177.6 | -62.3 | 164.7 | 0 | 0 | 0 | 109.6 | L129 A247 L253 V254 M255 | L129-I251 HydrophobicContact CD1-CB 3.99Å; L129-I251 HydrophobicContact CD1-CG2 3.79Å; L129-I251 HydrophobicContact CD2-CG2 4.27Å; L129-I251 HydrophobicContact CG-CG2 4.42Å; A247-I251 WeakPolarHBondContact O-CB 3.48Å; A247-I251 WeakPolarHBondContact O-CD1 3.4Å; A247-I251 WeakPolarHBondContact O-CG1 3.41Å; A247-I251 PolarHBondContact O-N 2.63Å; I251-L253 VanDerWaalsContact C-N 3.33Å; I251-L253 PolarHBondContact O-N 2.84Å; I251-V254 PolarHBondContact O-N 3.24Å; I251-M255 HydrophobicContact CG2-CG 4.13Å; I251-M255 WeakPolarHBondContact O-CB 3.26Å; I251-M255 VanDerWaalsContact O-CG 3.26Å; I251-M255 WeakPolarHBondContact O-CG 3.35Å; I251-M255 PolarHBondContact O-N 2.8Å |
| 252 | S | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59 | -42.4 | 176.7 | -65.2 | 0 | 0 | 0 | 0 | 112.8 | Y199 H206 S248 A249 V250 M255 F256 | Y199-S252 WeakPolarHBondContact OH-CA 3.36Å; H206-S252 PolarHBondContact CE1-OG 3.48Å; H206-S252 PolarHBondContact ND1-OG 2.93Å; S248-S252 WeakPolarHBondContact O-CB 3.41Å; S248-S252 PolarHBondContact O-N 3.42Å; S248-S252 PolarHBondContact O-OG 2.87Å; A249-S252 WeakPolarHBondContact O-CB 3.22Å; A249-S252 PolarHBondContact O-N 2.81Å; V250-S252 VanDerWaalsContact C-N 3.26Å; V250-S252 PolarHBondContact O-N 3.39Å; S252-M255 PolarHBondContact O-N 3.34Å; S252-F256 WeakPolarHBondContact O-CB 3.49Å; S252-F256 PolarHBondContact O-N 3.48Å |
| 253 | L | 96.4 | Very high | 93.8 | Very high | 77 Ų | 77 | 46.5 Ų | 46.5 | 40% | 0.403 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.5 | -45.1 | 178.3 | -177.9 | 61.4 | 0 | 0 | 0 | 111.9 | F203 A249 V250 I251 M255 F256 K257 | F203-L253 HydrophobicContact CE2-CB 3.79Å; F203-L253 HydrophobicContact CE2-CD1 4.38Å; F203-L253 HydrophobicContact CZ-CB 4.21Å; F203-L253 HydrophobicContact CZ-CD1 4.12Å; A249-L253 PolarHBondContact O-N 3.47Å; V250-L253 PolarHBondContact O-N 3.47Å; I251-L253 VanDerWaalsContact C-N 3.33Å; I251-L253 PolarHBondContact O-N 2.84Å; L253-M255 VanDerWaalsContact C-N 3.3Å; L253-M255 PolarHBondContact O-N 2.87Å; L253-F256 PolarHBondContact O-N 2.95Å; L253-K257 WeakPolarHBondContact O-CG 3.38Å; L253-K257 PolarHBondContact O-N 3.34Å |
| 254 | V | 95.9 | Very high | 92.9 | Very high | 90 Ų | 90 | 53.2 Ų | 53.2 | 55% | 0.545 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.4 | -45.3 | 176.4 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | V250 I251 K257 K258 | V250-V254 WeakPolarHBondContact O-CG2 3.39Å; V250-V254 PolarHBondContact O-N 3.01Å; I251-V254 PolarHBondContact O-N 3.24Å; V254-K257 PolarHBondContact O-N 2.92Å; V254-K258 WeakPolarHBondContact O-CB 3.45Å; V254-K258 PolarHBondContact O-N 3.02Å |
| 255 | M | 93.8 | Very high | 91.8 | Very high | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.6 | -36.9 | 179.8 | -69.9 | -54.1 | -71.1 | 0 | 0 | 113 | T122 L125 M126 L129 I251 S252 L253 K257 K258 V259 | T122-M255 HydrophobicContact CG2-CE 3.78Å; T122-M255 WeakPolarHBondContact O-CE 3.42Å; L125-M255 HydrophobicContact CB-CE 3.82Å; L125-M255 HydrophobicContact CB-SD 4.39Å; L125-M255 HydrophobicContact CD2-CE 3.86Å; L125-M255 HydrophobicContact CD2-SD 3.34Å; L125-M255 WeakPolarHBondContact CD2-SD 3.37Å; L125-M255 HydrophobicContact CG-CE 3.85Å; L125-M255 HydrophobicContact CG-SD 3.78Å; M126-M255 HydrophobicContact CE-CB 4.48Å; M126-M255 HydrophobicContact CG-CE 3.52Å; M126-M255 HydrophobicContact SD-CB 3.45Å; M126-M255 WeakPolarHBondContact SD-CB 3Å; M126-M255 HydrophobicContact SD-CE 3.73Å; M126-M255 HydrophobicContact SD-CG 3.96Å; L129-M255 HydrophobicContact CD2-CG 4.43Å; I251-M255 HydrophobicContact CG2-CG 4.13Å; I251-M255 WeakPolarHBondContact O-CB 3.26Å; I251-M255 VanDerWaalsContact O-CG 3.26Å; I251-M255 WeakPolarHBondContact O-CG 3.35Å; I251-M255 PolarHBondContact O-N 2.8Å; S252-M255 PolarHBondContact O-N 3.34Å; L253-M255 VanDerWaalsContact C-N 3.3Å; L253-M255 PolarHBondContact O-N 2.87Å; M255-K257 PolarHBondContact O-N 3.44Å; M255-K258 HydrophobicContact CE-CD 4.39Å; M255-K258 PolarHBondContact O-N 2.71Å; M255-K258 HydrophobicContact SD-CD 4.13Å; M255-V259 WeakPolarHBondContact O-CB 3.45Å; M255-V259 WeakPolarHBondContact O-CG2 3.4Å; M255-V259 PolarHBondContact O-N 3.25Å |
| 256 | F | 93.8 | Very high | 90.3 | Very high | 47 Ų | 47 | 58.1 Ų | 58.1 | 21% | 0.206 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.5 | -49.7 | 172.3 | -178.7 | -99.1 | 0 | 0 | 0 | 111.1 | F196 Y199 I200 S252 L253 K258 V259 H260 | F196-F256 HydrophobicContact CD1-CD2 4.19Å; F196-F256 AromaticContact CD1-CE2 3.66Å; F196-F256 HydrophobicContact CD1-CE2 3.66Å; F196-F256 HydrophobicContact CD1-CZ 4.24Å; F196-F256 HydrophobicContact CE1-CE2 4.37Å; Y199-F256 HydrophobicContact CD1-CB 4.31Å; Y199-F256 AromaticContact CD1-CD2 3.65Å; Y199-F256 HydrophobicContact CD1-CD2 3.65Å; Y199-F256 HydrophobicContact CD1-CE2 4.48Å; Y199-F256 HydrophobicContact CD1-CG 4.43Å; Y199-F256 HydrophobicContact CE1-CB 3.99Å; Y199-F256 HydrophobicContact CE1-CD2 4.19Å; I200-F256 HydrophobicContact CD1-CZ 4.29Å; I200-F256 HydrophobicContact CG1-CE2 3.93Å; I200-F256 HydrophobicContact CG1-CZ 4.01Å; S252-F256 WeakPolarHBondContact O-CB 3.49Å; S252-F256 PolarHBondContact O-N 3.48Å; L253-F256 PolarHBondContact O-N 2.95Å; F256-K258 VanDerWaalsContact C-N 3.32Å; F256-K258 PolarHBondContact O-N 2.97Å; F256-V259 PolarHBondContact O-N 3.36Å; F256-H260 VanDerWaalsContact O-CB 3.23Å; F256-H260 WeakPolarHBondContact O-CB 3.46Å; F256-H260 PolarHBondContact O-N 3.39Å |
| 257 | K | 92.6 | Very high | 88.7 | Confident | 148 Ų | 148 | 58.8 Ų | 58.8 | 64% | 0.643 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.2 | -43 | 176.2 | -71.6 | -86.5 | -179 | 163.6 | 0 | 111.5 | L253 V254 M255 G261 | L253-K257 WeakPolarHBondContact O-CG 3.38Å; L253-K257 PolarHBondContact O-N 3.34Å; V254-K257 PolarHBondContact O-N 2.92Å; M255-K257 PolarHBondContact O-N 3.44Å; K257-G261 PolarHBondContact O-N 3.28Å |
| 258 | K | 90.9 | Very high | 87 | Confident | 102 Ų | 102 | 57.5 Ų | 57.5 | 44% | 0.443 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.3 | -48.5 | 179.2 | -171.2 | -179.5 | 177.5 | 74.7 | 0 | 112.2 | T122 V254 M255 F256 G261 L262 | T122-K258 HydrophobicContact CG2-CD 4.24Å; T122-K258 WeakPolarHBondContact OG1-CE 3.27Å; V254-K258 WeakPolarHBondContact O-CB 3.45Å; V254-K258 PolarHBondContact O-N 3.02Å; M255-K258 HydrophobicContact CE-CD 4.39Å; M255-K258 PolarHBondContact O-N 2.71Å; M255-K258 HydrophobicContact SD-CD 4.13Å; F256-K258 VanDerWaalsContact C-N 3.32Å; F256-K258 PolarHBondContact O-N 2.97Å; K258-G261 PolarHBondContact O-N 2.93Å; K258-L262 HydrophobicContact CG-CD1 4.5Å; K258-L262 WeakPolarHBondContact O-CG 3.41Å; K258-L262 PolarHBondContact O-N 2.79Å |
| 259 | V | 91.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 179.3 | 174.5 | 0 | 0 | 0 | 0 | 111 | T122 M126 L180 F184 F192 F195 F196 M255 F256 G261 L262 Y263 | T122-V259 HydrophobicContact CG2-CG2 3.77Å; M126-V259 HydrophobicContact CE-CG2 4.18Å; M126-V259 HydrophobicContact CG-CG2 4.48Å; L180-V259 HydrophobicContact CD1-CG1 3.87Å; L180-V259 HydrophobicContact CD1-CG2 4.23Å; F184-V259 HydrophobicContact CE2-CG1 4.03Å; F184-V259 HydrophobicContact CE2-CG2 4.41Å; F184-V259 HydrophobicContact CZ-CG1 4.07Å; F192-V259 HydrophobicContact CE1-CG1 4.25Å; F195-V259 HydrophobicContact CD1-CG1 4.19Å; F195-V259 HydrophobicContact CE1-CB 4.23Å; F195-V259 HydrophobicContact CE1-CG1 3.56Å; F195-V259 HydrophobicContact CZ-CG1 4.3Å; F196-V259 HydrophobicContact CE1-CB 4.49Å; F196-V259 HydrophobicContact CE1-CG1 4.01Å; F196-V259 HydrophobicContact CZ-CG1 3.92Å; M255-V259 WeakPolarHBondContact O-CB 3.45Å; M255-V259 WeakPolarHBondContact O-CG2 3.4Å; M255-V259 PolarHBondContact O-N 3.25Å; F256-V259 PolarHBondContact O-N 3.36Å; V259-G261 VanDerWaalsContact C-N 3.33Å; V259-G261 PolarHBondContact O-N 3.1Å; V259-L262 PolarHBondContact O-N 3.1Å; V259-Y263 WeakPolarHBondContact O-CB 3.45Å; V259-Y263 PolarHBondContact O-N 2.88Å |
| 260 | H | 89.7 | Confident | 84.1 | Confident | 80 Ų | 80 | 65.5 Ų | 65.5 | 37% | 0.37 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.6 | -39.3 | 173.2 | -176.2 | -92.7 | 0 | 0 | 0 | 112.3 | F196 F256 Y263 R264 | F196-H260 HydrophobicContact CE1-CB 3.87Å; F196-H260 HydrophobicContact CZ-CB 4.14Å; F256-H260 VanDerWaalsContact O-CB 3.23Å; F256-H260 WeakPolarHBondContact O-CB 3.46Å; F256-H260 PolarHBondContact O-N 3.39Å; H260-Y263 PolarHBondContact O-N 3Å; H260-R264 WeakPolarHBondContact O-CG 3.19Å; H260-R264 PolarHBondContact O-N 3.25Å; H260-R264 VanDerWaalsContact O-N 3.12Å |
| 261 | G | 86.1 | Confident | 82.7 | Confident | 33 Ų | 33 | 68 Ų | 68 | 34% | 0.34 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60 | -47.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | K257 K258 V259 Y263 R264 T265 | K257-G261 PolarHBondContact O-N 3.28Å; K258-G261 PolarHBondContact O-N 2.93Å; V259-G261 VanDerWaalsContact C-N 3.33Å; V259-G261 PolarHBondContact O-N 3.1Å; G261-Y263 PolarHBondContact O-N 3.48Å; G261-R264 PolarHBondContact O-N 3.12Å; G261-T265 PolarHBondContact O-N 3.17Å |
| 262 | L | 85.1 | Confident | 81.8 | Confident | 34 Ų | 34 | 67.9 Ų | 67.9 | 18% | 0.178 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 177.3 | -68.6 | 167.1 | 0 | 0 | 0 | 111.9 | F119 T122 F184 K258 V259 R264 T265 T266 | F119-L262 HydrophobicContact CD1-CD1 4.24Å; F119-L262 HydrophobicContact CD1-CD2 4.07Å; F119-L262 HydrophobicContact CE1-CD2 3.92Å; T122-L262 HydrophobicContact CG2-CD1 3.79Å; F184-L262 HydrophobicContact CE1-CB 4.43Å; F184-L262 HydrophobicContact CE1-CD1 4.29Å; F184-L262 HydrophobicContact CZ-CB 4.45Å; F184-L262 HydrophobicContact CZ-CD1 4.14Å; K258-L262 HydrophobicContact CG-CD1 4.5Å; K258-L262 WeakPolarHBondContact O-CG 3.41Å; K258-L262 PolarHBondContact O-N 2.79Å; V259-L262 PolarHBondContact O-N 3.1Å; L262-R264 VanDerWaalsContact C-N 3.27Å; L262-R264 PolarHBondContact O-N 3.49Å; L262-T265 WeakPolarHBondContact CA-OG1 3.22Å; L262-T265 PolarHBondContact O-N 2.87Å; L262-T265 PolarHBondContact O-OG1 3.48Å; L262-T266 PolarHBondContact O-N 3.39Å; L262-T266 PolarHBondContact O-OG1 2.87Å |
| 263 | Y | 81.6 | Confident | 80.4 | Confident | 36 Ų | 36 | 68.2 Ų | 68.2 | 14% | 0.141 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56 | -39.9 | 175.2 | 172.8 | -99.5 | 0 | 0 | 0 | 112.5 | F192 F196 V259 H260 G261 T265 T266 A268 | F192-Y263 HydrophobicContact CB-CD2 3.61Å; F192-Y263 HydrophobicContact CB-CE2 3.69Å; F192-Y263 HydrophobicContact CD1-CD2 4.09Å; F192-Y263 AromaticContact CD2-CD2 3.94Å; F192-Y263 HydrophobicContact CD2-CD2 3.94Å; F192-Y263 HydrophobicContact CD2-CE2 4.4Å; F192-Y263 AromaticContact CG-CD2 3.63Å; F192-Y263 HydrophobicContact CG-CD2 3.63Å; F192-Y263 HydrophobicContact CG-CE2 4.15Å; F196-Y263 HydrophobicContact CE2-CD1 4.08Å; F196-Y263 AromaticContact CE2-CD2 3.97Å; F196-Y263 HydrophobicContact CE2-CD2 3.97Å; F196-Y263 AromaticContact CE2-CG 3.72Å; F196-Y263 HydrophobicContact CE2-CG 3.72Å; F196-Y263 HydrophobicContact CZ-CG 4.15Å; V259-Y263 WeakPolarHBondContact O-CB 3.45Å; V259-Y263 PolarHBondContact O-N 2.88Å; H260-Y263 PolarHBondContact O-N 3Å; G261-Y263 PolarHBondContact O-N 3.48Å; Y263-T265 VanDerWaalsContact C-N 3.3Å; Y263-T265 PolarHBondContact O-N 2.8Å; Y263-T266 WeakPolarHBondContact CA-OG1 3.02Å; Y263-T266 PolarHBondContact O-OG1 3.49Å; Y263-A268 HydrophobicContact CD2-CB 3.55Å; Y263-A268 HydrophobicContact CE2-CB 3.29Å; Y263-A268 HydrophobicContact CG-CB 4.42Å; Y263-A268 PolarHBondContact OH-O 3.39Å |
| 264 | R | 79.8 | Confident | 79.2 | Confident | 185 Ų | 185 | 70.4 Ų | 70.4 | 70% | 0.698 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -69.4 | -26.4 | 175.6 | -72.1 | -176.5 | 61.4 | 78.5 | 4 | 113.4 | H260 G261 L262 | H260-R264 WeakPolarHBondContact O-CG 3.19Å; H260-R264 PolarHBondContact O-N 3.25Å; H260-R264 VanDerWaalsContact O-N 3.12Å; G261-R264 PolarHBondContact O-N 3.12Å; L262-R264 VanDerWaalsContact C-N 3.27Å; L262-R264 PolarHBondContact O-N 3.49Å |
| 265 | T | 75.5 | Confident | 78.3 | Confident | 110 Ų | 110 | 72.4 Ų | 72.4 | 68% | 0.675 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -86.3 | -24.7 | 179.5 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | G261 L262 Y263 G267 | G261-T265 PolarHBondContact O-N 3.17Å; L262-T265 WeakPolarHBondContact CA-OG1 3.22Å; L262-T265 PolarHBondContact O-N 2.87Å; L262-T265 PolarHBondContact O-OG1 3.48Å; Y263-T265 VanDerWaalsContact C-N 3.3Å; Y263-T265 PolarHBondContact O-N 2.8Å; T265-G267 PolarHBondContact O-N 3.29Å |
| 266 | T | 67.1 | Low | 77.6 | Confident | 35 Ų | 35 | 74.8 Ų | 74.8 | 22% | 0.215 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 3.5 | 179.2 | 29.6 | 0 | 0 | 0 | 0 | 114.3 | F119 L262 Y263 A268 | F119-T266 HydrophobicContact CE1-CG2 4.24Å; F119-T266 HydrophobicContact CE2-CG2 4.23Å; F119-T266 HydrophobicContact CZ-CG2 3.52Å; L262-T266 PolarHBondContact O-N 3.39Å; L262-T266 PolarHBondContact O-OG1 2.87Å; Y263-T266 WeakPolarHBondContact CA-OG1 3.02Å; Y263-T266 PolarHBondContact O-OG1 3.49Å; T266-A268 PolarHBondContact O-N 3.28Å |
| 267 | G | 63.4 | Low | 76.8 | Confident | 58 Ų | 58 | 77.9 Ų | 77.9 | 60% | 0.598 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 14 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T265 S269 | T265-G267 PolarHBondContact O-N 3.29Å; G267-S269 PolarHBondContact O-N 2.87Å |
| 268 | A | 62.8 | Low | 76 | Confident | 10 Ų | 10 | 72.8 Ų | 72.8 | 8% | 0.083 | 38% | 0.375 | C | S | . | . | trans | -70.6 | 127.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y263 T266 | Y263-A268 HydrophobicContact CD2-CB 3.55Å; Y263-A268 HydrophobicContact CE2-CB 3.29Å; Y263-A268 HydrophobicContact CG-CB 4.42Å; Y263-A268 PolarHBondContact OH-O 3.39Å; T266-A268 PolarHBondContact O-N 3.28Å | ||
| 269 | S | 67.8 | Low | 75.2 | Confident | 42 Ų | 42 | 71.9 Ų | 71.9 | 29% | 0.294 | 38% | 0.378 | S | S | . | . | trans | -133 | 162.8 | -175.8 | 77.4 | 0 | 0 | 0 | 0 | 111.2 | G267 E271 K272 A273 | G267-S269 PolarHBondContact O-N 2.87Å; S269-E271 VanDerWaalsContact C-N 3.28Å; S269-E271 PolarHBondContact O-N 3.49Å; S269-K272 PolarHBondContact O-N 3.32Å; S269-K272 PolarHBondContact OG-N 2.92Å; S269-K272 VanDerWaalsContact OG-N 3.1Å; S269-A273 PolarHBondContact O-N 3.49Å | ||
| 270 | F | 64.8 | Low | 74.1 | Confident | 136 Ų | 136 | 73.7 Ų | 73.7 | 60% | 0.596 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.9 | -37.4 | 175 | -176 | -97.7 | 0 | 0 | 0 | 111.9 | A273 Q274 | F270-A273 WeakPolarHBondContact O-CB 3.37Å; F270-A273 PolarHBondContact O-N 3.47Å; F270-Q274 PolarHBondContact O-N 2.99Å |
| 271 | E | 68.4 | Low | 73.1 | Confident | 139 Ų | 139 | 72.6 Ų | 72.6 | 65% | 0.65 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.7 | -42.6 | 175.6 | -71.7 | 166.1 | 145 | 0 | 0 | 111.8 | S269 A273 Q274 Q275 | S269-E271 VanDerWaalsContact C-N 3.28Å; S269-E271 PolarHBondContact O-N 3.49Å; E271-A273 VanDerWaalsContact C-N 3.29Å; E271-A273 PolarHBondContact O-N 2.89Å; E271-Q274 PolarHBondContact O-N 3.33Å; E271-Q275 WeakPolarHBondContact O-CG 3.34Å; E271-Q275 PolarHBondContact O-N 3.29Å |
| 272 | K | 74.9 | Confident | 72.2 | Confident | 61 Ų | 61 | 77 Ų | 77 | 27% | 0.265 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.5 | -39.8 | 172.7 | -172.9 | -179.8 | 169.3 | -165.3 | 0 | 110.7 | D187 S189 S269 Q275 E276 | D187-K272 IonicContact OD2-NZ 2.96Å; D187-K272 PolarHBondContact OD2-NZ 2.83Å; S189-K272 VanDerWaalsContact OG-CD 3.28Å; S189-K272 WeakPolarHBondContact OG-CD 3.29Å; S189-K272 WeakPolarHBondContact OG-CG 3.39Å; S269-K272 PolarHBondContact O-N 3.32Å; S269-K272 PolarHBondContact OG-N 2.92Å; S269-K272 VanDerWaalsContact OG-N 3.1Å; K272-Q275 PolarHBondContact O-N 3.31Å; K272-E276 WeakPolarHBondContact CE-OE1 3.35Å; K272-E276 WeakPolarHBondContact O-CB 3.46Å; K272-E276 WeakPolarHBondContact O-CG 3.31Å; K272-E276 PolarHBondContact O-N 3.43Å |
| 273 | A | 67.6 | Low | 71.4 | Confident | 7 Ų | 7 | 78.9 Ų | 78.9 | 6% | 0.058 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S269 F270 E271 E276 F277 | S269-A273 PolarHBondContact O-N 3.49Å; F270-A273 WeakPolarHBondContact O-CB 3.37Å; F270-A273 PolarHBondContact O-N 3.47Å; E271-A273 VanDerWaalsContact C-N 3.29Å; E271-A273 PolarHBondContact O-N 2.89Å; A273-E276 PolarHBondContact O-N 3.1Å; A273-F277 VanDerWaalsContact O-CB 3.3Å; A273-F277 WeakPolarHBondContact O-CB 3.28Å; A273-F277 PolarHBondContact O-N 3.37Å |
| 274 | Q | 71.3 | Confident | 70.8 | Confident | 123 Ų | 123 | 80.7 Ų | 80.7 | 58% | 0.575 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -67.1 | -40.2 | 175.7 | -173.3 | 177.1 | -7.7 | 0 | 0 | 111.4 | F270 E271 F277 A278 | F270-Q274 PolarHBondContact O-N 2.99Å; E271-Q274 PolarHBondContact O-N 3.33Å; Q274-F277 PolarHBondContact O-N 2.94Å; Q274-A278 VanDerWaalsContact O-CB 3.24Å; Q274-A278 WeakPolarHBondContact O-CB 3.3Å; Q274-A278 PolarHBondContact O-N 3.31Å |
| 275 | Q | 76.6 | Confident | 70.2 | Confident | 132 Ų | 132 | 80 Ų | 80 | 62% | 0.617 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.6 | -45.3 | 174.1 | -71.5 | 174.4 | -2 | 0 | 0 | 111.7 | E271 K272 F277 A278 T279 | E271-Q275 WeakPolarHBondContact O-CG 3.34Å; E271-Q275 PolarHBondContact O-N 3.29Å; K272-Q275 PolarHBondContact O-N 3.31Å; Q275-F277 VanDerWaalsContact C-N 3.33Å; Q275-F277 PolarHBondContact O-N 3.4Å; Q275-A278 PolarHBondContact O-N 3.23Å; Q275-T279 VanDerWaalsContact O-CB 3.29Å; Q275-T279 WeakPolarHBondContact O-CB 3.42Å; Q275-T279 PolarHBondContact O-N 3.38Å; Q275-T279 PolarHBondContact O-OG1 3.3Å |
| 276 | E | 78.7 | Confident | 70.2 | Confident | 52 Ų | 52 | 79.9 Ų | 79.9 | 24% | 0.243 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 175.4 | -77 | 176.2 | -148.4 | 0 | 0 | 111.9 | S188 S189 F190 K272 A273 G280 | S188-E276 VanDerWaalsContact C-OE2 3.31Å; S188-E276 WeakPolarHBondContact CA-OE2 3.43Å; S188-E276 WeakPolarHBondContact CB-OE2 3.48Å; S188-E276 PolarHBondContact OG-OE2 2.82Å; S189-E276 WeakPolarHBondContact CB-OE1 3.18Å; S189-E276 VanDerWaalsContact N-CD 3.34Å; S189-E276 PolarHBondContact N-OE1 2.81Å; S189-E276 PolarHBondContact N-OE2 3.41Å; S189-E276 PolarHBondContact OG-OE1 2.99Å; F190-E276 PolarHBondContact N-OE2 3.12Å; K272-E276 WeakPolarHBondContact CE-OE1 3.35Å; K272-E276 WeakPolarHBondContact O-CB 3.46Å; K272-E276 WeakPolarHBondContact O-CG 3.31Å; K272-E276 PolarHBondContact O-N 3.43Å; A273-E276 PolarHBondContact O-N 3.1Å; E276-G280 WeakPolarHBondContact O-CA 3.18Å; E276-G280 PolarHBondContact O-N 3.35Å |
| 277 | F | 77.2 | Confident | 70.6 | Confident | 112 Ų | 112 | 80.9 Ų | 80.9 | 49% | 0.491 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.3 | -47.2 | 176.1 | -179 | -99.4 | 0 | 0 | 0 | 111.6 | F190 A273 Q274 Q275 G280 V281 | F190-F277 HydrophobicContact CD2-CB 4.11Å; F190-F277 AromaticContact CD2-CD2 3.96Å; F190-F277 HydrophobicContact CD2-CD2 3.96Å; F190-F277 HydrophobicContact CD2-CG 4.4Å; F190-F277 HydrophobicContact CE1-CD2 4.49Å; F190-F277 HydrophobicContact CE2-CB 4.47Å; F190-F277 AromaticContact CE2-CD2 3.51Å; F190-F277 HydrophobicContact CE2-CD2 3.51Å; F190-F277 HydrophobicContact CE2-CE2 4.11Å; F190-F277 HydrophobicContact CE2-CG 4.26Å; F190-F277 AromaticContact CZ-CD2 3.82Å; F190-F277 HydrophobicContact CZ-CD2 3.82Å; F190-F277 HydrophobicContact CZ-CE2 4.14Å; A273-F277 VanDerWaalsContact O-CB 3.3Å; A273-F277 WeakPolarHBondContact O-CB 3.28Å; A273-F277 PolarHBondContact O-N 3.37Å; Q274-F277 PolarHBondContact O-N 2.94Å; Q275-F277 VanDerWaalsContact C-N 3.33Å; Q275-F277 PolarHBondContact O-N 3.4Å; F277-G280 PolarHBondContact O-N 3.36Å; F277-V281 HydrophobicContact CD1-CG2 4.23Å; F277-V281 HydrophobicContact CD2-CG2 4.4Å; F277-V281 HydrophobicContact CE1-CG2 3.84Å; F277-V281 HydrophobicContact CE2-CG2 4.02Å; F277-V281 HydrophobicContact CG-CG2 4.5Å; F277-V281 HydrophobicContact CZ-CG2 3.73Å; F277-V281 WeakPolarHBondContact O-CB 3.41Å; F277-V281 VanDerWaalsContact O-CG2 3.31Å; F277-V281 WeakPolarHBondContact O-CG2 3.26Å; F277-V281 PolarHBondContact O-N 3.16Å |
| 278 | A | 74.8 | Confident | 71.2 | Confident | 41 Ų | 41 | 83 Ų | 83 | 34% | 0.339 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q274 Q275 V281 M282 | Q274-A278 VanDerWaalsContact O-CB 3.24Å; Q274-A278 WeakPolarHBondContact O-CB 3.3Å; Q274-A278 PolarHBondContact O-N 3.31Å; Q275-A278 PolarHBondContact O-N 3.23Å; A278-V281 PolarHBondContact O-N 3.29Å; A278-M282 HydrophobicContact CB-CE 4.31Å; A278-M282 VanDerWaalsContact O-CB 3.31Å; A278-M282 WeakPolarHBondContact O-CB 3.35Å; A278-M282 VanDerWaalsContact O-CG 3.27Å; A278-M282 WeakPolarHBondContact O-CG 3.26Å; A278-M282 PolarHBondContact O-N 3.44Å |
| 279 | T | 74.2 | Confident | 71.9 | Confident | 84 Ų | 84 | 86.2 Ų | 86.2 | 52% | 0.515 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.7 | -37.1 | 174.8 | -59 | 0 | 0 | 0 | 0 | 111.7 | Q275 M282 S283 | Q275-T279 VanDerWaalsContact O-CB 3.29Å; Q275-T279 WeakPolarHBondContact O-CB 3.42Å; Q275-T279 PolarHBondContact O-N 3.38Å; Q275-T279 PolarHBondContact O-OG1 3.3Å; T279-M282 PolarHBondContact O-N 2.92Å; T279-S283 WeakPolarHBondContact O-CB 3.27Å; T279-S283 PolarHBondContact O-N 2.94Å; T279-S283 PolarHBondContact O-OG 2.95Å |
| 280 | G | 68.7 | Low | 72.3 | Confident | 37 Ų | 37 | 87 Ų | 87 | 38% | 0.381 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.2 | -41 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E276 F277 S283 N284 | E276-G280 WeakPolarHBondContact O-CA 3.18Å; E276-G280 PolarHBondContact O-N 3.35Å; F277-G280 PolarHBondContact O-N 3.36Å; G280-S283 PolarHBondContact O-OG 3.18Å; G280-N284 PolarHBondContact O-N 2.91Å |
| 281 | V | 69.6 | Low | 73 | Confident | 58 Ų | 58 | 83.1 Ų | 83.1 | 35% | 0.352 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.1 | -42 | 174.2 | 173 | 0 | 0 | 0 | 0 | 110.5 | F277 A278 N284 V287 | F277-V281 HydrophobicContact CD1-CG2 4.23Å; F277-V281 HydrophobicContact CD2-CG2 4.4Å; F277-V281 HydrophobicContact CE1-CG2 3.84Å; F277-V281 HydrophobicContact CE2-CG2 4.02Å; F277-V281 HydrophobicContact CG-CG2 4.5Å; F277-V281 HydrophobicContact CZ-CG2 3.73Å; F277-V281 WeakPolarHBondContact O-CB 3.41Å; F277-V281 VanDerWaalsContact O-CG2 3.31Å; F277-V281 WeakPolarHBondContact O-CG2 3.26Å; F277-V281 PolarHBondContact O-N 3.16Å; A278-V281 PolarHBondContact O-N 3.29Å; V281-N284 PolarHBondContact O-N 2.98Å; V281-V287 HydrophobicContact CG1-CG1 3.95Å; V281-V287 HydrophobicContact CG1-CG2 4.46Å; V281-V287 WeakPolarHBondContact O-CB 3.44Å; V281-V287 WeakPolarHBondContact O-CG1 3.33Å |
| 282 | M | 66.5 | Low | 73.5 | Confident | 125 Ų | 125 | 79.3 Ų | 79.3 | 62% | 0.616 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -70.6 | -31 | 178.8 | -75.4 | -169.9 | -71.2 | 0 | 0 | 113.9 | A278 T279 N284 Q288 | A278-M282 HydrophobicContact CB-CE 4.31Å; A278-M282 VanDerWaalsContact O-CB 3.31Å; A278-M282 WeakPolarHBondContact O-CB 3.35Å; A278-M282 VanDerWaalsContact O-CG 3.27Å; A278-M282 WeakPolarHBondContact O-CG 3.26Å; A278-M282 PolarHBondContact O-N 3.44Å; T279-M282 PolarHBondContact O-N 2.92Å; M282-N284 VanDerWaalsContact C-N 3.33Å; M282-Q288 WeakPolarHBondContact O-CG 3.17Å; M282-Q288 PolarHBondContact O-NE2 2.92Å |
| 283 | S | 68.3 | Low | 73.8 | Confident | 73 Ų | 73 | 80.8 Ų | 80.8 | 51% | 0.51 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -82.6 | -9.8 | 178.5 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | T279 G280 K285 | T279-S283 WeakPolarHBondContact O-CB 3.27Å; T279-S283 PolarHBondContact O-N 2.94Å; T279-S283 PolarHBondContact O-OG 2.95Å; G280-S283 PolarHBondContact O-OG 3.18Å; S283-K285 PolarHBondContact O-N 3.32Å |
| 284 | N | 68.8 | Low | 74.5 | Confident | 75 Ų | 75 | 83.4 Ų | 83.4 | 40% | 0.401 | 48% | 0.484 | S | S | . | . | trans | -71.9 | 114.4 | 179.2 | -173.2 | -37 | 0 | 0 | 0 | 110.2 | G280 V281 M282 T286 V287 Q288 | G280-N284 PolarHBondContact O-N 2.91Å; V281-N284 PolarHBondContact O-N 2.98Å; M282-N284 VanDerWaalsContact C-N 3.33Å; N284-T286 PolarHBondContact O-N 2.94Å; N284-T286 VanDerWaalsContact O-N 3.15Å; N284-T286 WeakPolarHBondContact OD1-CB 3.36Å; N284-T286 PolarHBondContact OD1-N 3.2Å; N284-V287 HydrophobicContact CB-CB 4.06Å; N284-V287 HydrophobicContact CB-CG2 3.85Å; N284-V287 CarbonylContact O-C 3.58Å; N284-V287 WeakPolarHBondContact O-CA 3.32Å; N284-V287 PolarHBondContact O-N 3.38Å; N284-Q288 WeakPolarHBondContact O-CG 3.44Å; N284-Q288 PolarHBondContact O-N 3.4Å | ||
| 285 | K | 68 | Low | 75.1 | Confident | 169 Ų | 169 | 80.4 Ų | 80.4 | 74% | 0.735 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -51.6 | -38.1 | 178.9 | -79.6 | -173.8 | 176.9 | 179.1 | 0 | 112.9 | S283 Q288 T289 | S283-K285 PolarHBondContact O-N 3.32Å; K285-Q288 PolarHBondContact O-N 3.18Å; K285-T289 WeakPolarHBondContact O-CB 3.27Å; K285-T289 PolarHBondContact O-N 3.45Å; K285-T289 PolarHBondContact O-OG1 2.93Å |
| 286 | T | 75 | Confident | 75.3 | Confident | 108 Ų | 108 | 77 Ų | 77 | 66% | 0.663 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -67.1 | -39.8 | 178.1 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | N284 A290 | N284-T286 PolarHBondContact O-N 2.94Å; N284-T286 VanDerWaalsContact O-N 3.15Å; N284-T286 WeakPolarHBondContact OD1-CB 3.36Å; N284-T286 PolarHBondContact OD1-N 3.2Å; T286-A290 VanDerWaalsContact O-CB 3.26Å; T286-A290 WeakPolarHBondContact O-CB 3.31Å; T286-A290 PolarHBondContact O-N 3.02Å |
| 287 | V | 74.8 | Confident | 75.5 | Confident | 57 Ų | 57 | 79 Ų | 79 | 35% | 0.345 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.3 | -40.4 | 176 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | V281 N284 A290 A291 | V281-V287 HydrophobicContact CG1-CG1 3.95Å; V281-V287 HydrophobicContact CG1-CG2 4.46Å; V281-V287 WeakPolarHBondContact O-CB 3.44Å; V281-V287 WeakPolarHBondContact O-CG1 3.33Å; N284-V287 HydrophobicContact CB-CB 4.06Å; N284-V287 HydrophobicContact CB-CG2 3.85Å; N284-V287 CarbonylContact O-C 3.58Å; N284-V287 WeakPolarHBondContact O-CA 3.32Å; N284-V287 PolarHBondContact O-N 3.38Å; V287-A290 PolarHBondContact O-N 3.44Å; V287-A291 WeakPolarHBondContact O-CB 3.4Å; V287-A291 PolarHBondContact O-N 3.22Å |
| 288 | Q | 76.7 | Confident | 75.9 | Confident | 102 Ų | 102 | 76.3 Ų | 76.3 | 48% | 0.477 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.4 | -45 | 173.1 | -70.5 | -179.8 | 4.7 | 0 | 0 | 111.4 | M282 N284 K285 A291 A292 | M282-Q288 WeakPolarHBondContact O-CG 3.17Å; M282-Q288 PolarHBondContact O-NE2 2.92Å; N284-Q288 WeakPolarHBondContact O-CG 3.44Å; N284-Q288 PolarHBondContact O-N 3.4Å; K285-Q288 PolarHBondContact O-N 3.18Å; Q288-A291 PolarHBondContact O-N 3.41Å; Q288-A292 WeakPolarHBondContact O-CB 3.32Å; Q288-A292 PolarHBondContact O-N 3.44Å |
| 289 | T | 77.9 | Confident | 76.3 | Confident | 78 Ų | 78 | 77.3 Ų | 77.3 | 48% | 0.479 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 176.6 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | K285 A292 N293 | K285-T289 WeakPolarHBondContact O-CB 3.27Å; K285-T289 PolarHBondContact O-N 3.45Å; K285-T289 PolarHBondContact O-OG1 2.93Å; T289-A292 PolarHBondContact O-N 3.1Å; T289-N293 VanDerWaalsContact O-CB 3.26Å; T289-N293 WeakPolarHBondContact O-CB 3.18Å; T289-N293 PolarHBondContact O-N 3.38Å; T289-N293 PolarHBondContact O-ND2 3.48Å |
| 290 | A | 76.6 | Confident | 76.6 | Confident | 57 Ų | 57 | 76.6 Ų | 76.6 | 47% | 0.471 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T286 V287 N293 A294 | T286-A290 VanDerWaalsContact O-CB 3.26Å; T286-A290 WeakPolarHBondContact O-CB 3.31Å; T286-A290 PolarHBondContact O-N 3.02Å; V287-A290 PolarHBondContact O-N 3.44Å; A290-N293 PolarHBondContact O-N 2.89Å; A290-A294 WeakPolarHBondContact O-CB 3.07Å; A290-A294 PolarHBondContact O-N 2.91Å |
| 291 | A | 78.9 | Confident | 77.1 | Confident | 55 Ų | 55 | 77.2 Ų | 77.2 | 46% | 0.455 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.6 | -42.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V287 Q288 N293 A294 A295 | V287-A291 WeakPolarHBondContact O-CB 3.4Å; V287-A291 PolarHBondContact O-N 3.22Å; Q288-A291 PolarHBondContact O-N 3.41Å; A291-N293 VanDerWaalsContact C-N 3.35Å; A291-A294 PolarHBondContact O-N 2.81Å; A291-A295 VanDerWaalsContact O-CB 3.29Å; A291-A295 WeakPolarHBondContact O-CB 3.4Å; A291-A295 PolarHBondContact O-N 2.97Å |
| 292 | A | 78.8 | Confident | 77.6 | Confident | 59 Ų | 59 | 77.2 Ų | 77.2 | 49% | 0.488 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q288 T289 A295 S296 | Q288-A292 WeakPolarHBondContact O-CB 3.32Å; Q288-A292 PolarHBondContact O-N 3.44Å; T289-A292 PolarHBondContact O-N 3.1Å; A292-A295 PolarHBondContact O-N 3.24Å; A292-S296 WeakPolarHBondContact O-CB 3.47Å; A292-S296 PolarHBondContact O-N 2.99Å; A292-S296 PolarHBondContact O-OG 2.92Å |
| 293 | N | 81.4 | Confident | 78.3 | Confident | 93 Ų | 93 | 73.3 Ų | 73.3 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.4 | -48.8 | 175.5 | -72.2 | -16.5 | 0 | 0 | 0 | 111 | T289 A290 A291 A295 S296 T297 | T289-N293 VanDerWaalsContact O-CB 3.26Å; T289-N293 WeakPolarHBondContact O-CB 3.18Å; T289-N293 PolarHBondContact O-N 3.38Å; T289-N293 PolarHBondContact O-ND2 3.48Å; A290-N293 PolarHBondContact O-N 2.89Å; A291-N293 VanDerWaalsContact C-N 3.35Å; N293-A295 PolarHBondContact O-N 2.96Å; N293-S296 PolarHBondContact O-N 3.16Å; N293-S296 PolarHBondContact O-OG 3.32Å; N293-T297 PolarHBondContact O-N 3.33Å; N293-T297 PolarHBondContact O-OG1 2.69Å |
| 294 | A | 82.3 | Confident | 78.7 | Confident | 62 Ų | 62 | 76.1 Ų | 76.1 | 51% | 0.512 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A290 A291 T297 A298 | A290-A294 WeakPolarHBondContact O-CB 3.07Å; A290-A294 PolarHBondContact O-N 2.91Å; A291-A294 PolarHBondContact O-N 2.81Å; A294-T297 PolarHBondContact O-N 3.49Å; A294-A298 WeakPolarHBondContact O-CB 3.33Å; A294-A298 PolarHBondContact O-N 3.11Å |
| 295 | A | 83.6 | Confident | 78.9 | Confident | 60 Ų | 60 | 77.9 Ų | 77.9 | 50% | 0.496 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | A291 A292 N293 T297 A298 A299 | A291-A295 VanDerWaalsContact O-CB 3.29Å; A291-A295 WeakPolarHBondContact O-CB 3.4Å; A291-A295 PolarHBondContact O-N 2.97Å; A292-A295 PolarHBondContact O-N 3.24Å; N293-A295 PolarHBondContact O-N 2.96Å; A295-T297 VanDerWaalsContact C-N 3.34Å; A295-T297 PolarHBondContact O-N 3.27Å; A295-A298 PolarHBondContact O-N 2.77Å; A295-A299 WeakPolarHBondContact O-CB 3.3Å; A295-A299 PolarHBondContact O-N 2.89Å |
| 296 | S | 81.6 | Confident | 79.1 | Confident | 60 Ų | 60 | 73 Ų | 73 | 42% | 0.42 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 176.4 | 77.5 | 0 | 0 | 0 | 0 | 112.3 | A292 N293 S300 | A292-S296 WeakPolarHBondContact O-CB 3.47Å; A292-S296 PolarHBondContact O-N 2.99Å; A292-S296 PolarHBondContact O-OG 2.92Å; N293-S296 PolarHBondContact O-N 3.16Å; N293-S296 PolarHBondContact O-OG 3.32Å; S296-S300 VanDerWaalsContact O-CB 3.31Å; S296-S300 WeakPolarHBondContact O-CB 3.22Å; S296-S300 PolarHBondContact O-N 2.91Å; S296-S300 PolarHBondContact O-OG 3.3Å |
| 297 | T | 82.7 | Confident | 78.6 | Confident | 93 Ų | 93 | 75.8 Ų | 75.8 | 57% | 0.571 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -68.4 | -41 | 176.1 | -53.8 | 0 | 0 | 0 | 0 | 111.5 | N293 A294 A295 S301 | N293-T297 PolarHBondContact O-N 3.33Å; N293-T297 PolarHBondContact O-OG1 2.69Å; A294-T297 PolarHBondContact O-N 3.49Å; A295-T297 VanDerWaalsContact C-N 3.34Å; A295-T297 PolarHBondContact O-N 3.27Å; T297-S301 WeakPolarHBondContact O-CB 3.3Å; T297-S301 PolarHBondContact O-N 3.21Å; T297-S301 PolarHBondContact O-OG 3.49Å |
| 298 | A | 84.1 | Confident | 78 | Confident | 56 Ų | 56 | 80.7 Ų | 80.7 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.2 | -41.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A294 A295 S301 A302 | A294-A298 WeakPolarHBondContact O-CB 3.33Å; A294-A298 PolarHBondContact O-N 3.11Å; A295-A298 PolarHBondContact O-N 2.77Å; A298-S301 WeakPolarHBondContact CA-OG 3.37Å; A298-S301 PolarHBondContact O-N 3.18Å; A298-S301 PolarHBondContact O-OG 3.13Å; A298-A302 VanDerWaalsContact O-CB 3.3Å; A298-A302 WeakPolarHBondContact O-CB 3.23Å; A298-A302 PolarHBondContact O-N 2.93Å |
| 299 | A | 83.1 | Confident | 77 | Confident | 62 Ų | 62 | 78.4 Ų | 78.4 | 51% | 0.512 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | A295 A302 A303 | A295-A299 WeakPolarHBondContact O-CB 3.3Å; A295-A299 PolarHBondContact O-N 2.89Å; A299-A302 PolarHBondContact O-N 3.45Å; A299-A303 WeakPolarHBondContact O-CB 3.44Å; A299-A303 PolarHBondContact O-N 2.77Å |
| 300 | S | 81 | Confident | 75.8 | Confident | 69 Ų | 69 | 81.6 Ų | 81.6 | 48% | 0.483 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 177.7 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | S296 Q304 | S296-S300 VanDerWaalsContact O-CB 3.31Å; S296-S300 WeakPolarHBondContact O-CB 3.22Å; S296-S300 PolarHBondContact O-N 2.91Å; S296-S300 PolarHBondContact O-OG 3.3Å; S300-Q304 WeakPolarHBondContact O-CB 3.27Å; S300-Q304 VanDerWaalsContact O-CG 3.27Å; S300-Q304 WeakPolarHBondContact O-CG 3.45Å; S300-Q304 PolarHBondContact O-N 3.3Å |
| 301 | S | 78.9 | Confident | 74.6 | Confident | 50 Ų | 50 | 87.1 Ų | 87.1 | 35% | 0.35 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -72 | -37.6 | 177.2 | 46.5 | 0 | 0 | 0 | 0 | 112.5 | T297 A298 Q304 N305 | T297-S301 WeakPolarHBondContact O-CB 3.3Å; T297-S301 PolarHBondContact O-N 3.21Å; T297-S301 PolarHBondContact O-OG 3.49Å; A298-S301 WeakPolarHBondContact CA-OG 3.37Å; A298-S301 PolarHBondContact O-N 3.18Å; A298-S301 PolarHBondContact O-OG 3.13Å; S301-Q304 PolarHBondContact O-N 3.21Å; S301-N305 WeakPolarHBondContact O-CB 3.33Å; S301-N305 VanDerWaalsContact O-CG 3.29Å; S301-N305 PolarHBondContact O-N 3.15Å; S301-N305 PolarHBondContact O-ND2 3.04Å |
| 302 | A | 81.1 | Confident | 73 | Confident | 58 Ų | 58 | 95.1 Ų | 95.1 | 48% | 0.479 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.2 | -42.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A298 A299 N305 A306 | A298-A302 VanDerWaalsContact O-CB 3.3Å; A298-A302 WeakPolarHBondContact O-CB 3.23Å; A298-A302 PolarHBondContact O-N 2.93Å; A299-A302 PolarHBondContact O-N 3.45Å; A302-N305 PolarHBondContact O-N 3.13Å; A302-A306 WeakPolarHBondContact O-CB 3.09Å; A302-A306 PolarHBondContact O-N 3.18Å |
| 303 | A | 80.6 | Confident | 72.7 | Confident | 44 Ų | 44 | 96.9 Ų | 96.9 | 36% | 0.364 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.7 | -47.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A299 N305 A306 F307 | A299-A303 WeakPolarHBondContact O-CB 3.44Å; A299-A303 PolarHBondContact O-N 2.77Å; A303-N305 VanDerWaalsContact C-N 3.26Å; A303-N305 PolarHBondContact O-N 3.29Å; A303-A306 PolarHBondContact O-N 3.34Å; A303-A306 VanDerWaalsContact O-N 3.16Å; A303-F307 WeakPolarHBondContact O-CD2 3.44Å; A303-F307 PolarHBondContact O-N 2.95Å |
| 304 | Q | 77.4 | Confident | 72.3 | Confident | 132 Ų | 132 | 97.1 Ų | 97.1 | 62% | 0.617 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -58.3 | -37.3 | 176 | -78 | 175 | -16.4 | 0 | 0 | 112.8 | S300 S301 K308 | S300-Q304 WeakPolarHBondContact O-CB 3.27Å; S300-Q304 VanDerWaalsContact O-CG 3.27Å; S300-Q304 WeakPolarHBondContact O-CG 3.45Å; S300-Q304 PolarHBondContact O-N 3.3Å; S301-Q304 PolarHBondContact O-N 3.21Å; Q304-K308 PolarHBondContact O-N 3.48Å |
| 305 | N | 73.1 | Confident | 71.7 | Confident | 111 Ų | 111 | 99.1 Ų | 99.1 | 59% | 0.594 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -72.2 | -38.6 | 175.9 | -74.3 | -21.5 | 0 | 0 | 0 | 112.6 | S301 A302 A303 K308 G309 | S301-N305 WeakPolarHBondContact O-CB 3.33Å; S301-N305 VanDerWaalsContact O-CG 3.29Å; S301-N305 PolarHBondContact O-N 3.15Å; S301-N305 PolarHBondContact O-ND2 3.04Å; A302-N305 PolarHBondContact O-N 3.13Å; A303-N305 VanDerWaalsContact C-N 3.26Å; A303-N305 PolarHBondContact O-N 3.29Å; N305-K308 PolarHBondContact O-N 3.06Å; N305-G309 PolarHBondContact O-N 3.36Å |
| 306 | A | 71 | Confident | 71 | Confident | 68 Ų | 68 | 101.4 Ų | 101.4 | 56% | 0.562 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.6 | -39.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A302 A303 K308 G309 | A302-A306 WeakPolarHBondContact O-CB 3.09Å; A302-A306 PolarHBondContact O-N 3.18Å; A303-A306 PolarHBondContact O-N 3.34Å; A303-A306 VanDerWaalsContact O-N 3.16Å; A306-K308 VanDerWaalsContact C-N 3.35Å; A306-G309 PolarHBondContact O-N 3.01Å |
| 307 | F | 65.8 | Low | 70.4 | Confident | 166 Ų | 166 | 103.9 Ų | 103.9 | 73% | 0.728 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.4 | -29.8 | 175.9 | -83 | -73.7 | 0 | 0 | 0 | 113.1 | A303 | A303-F307 WeakPolarHBondContact O-CD2 3.44Å; A303-F307 PolarHBondContact O-N 2.95Å |
| 308 | K | 60.9 | Low | 69.5 | Low | 159 Ų | 159 | 104.7 Ų | 104.7 | 69% | 0.691 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -75.4 | -29 | 172.2 | -83 | -176.6 | 173.7 | -179.2 | 0 | 113.6 | Q304 N305 A306 N310 | Q304-K308 PolarHBondContact O-N 3.48Å; N305-K308 PolarHBondContact O-N 3.06Å; A306-K308 VanDerWaalsContact C-N 3.35Å; K308-N310 VanDerWaalsContact C-N 3.27Å; K308-N310 PolarHBondContact O-N 3.39Å |
| 309 | G | 56.5 | Low | 68.5 | Low | 54 Ų | 54 | 108.1 Ų | 108.1 | 56% | 0.557 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -72.3 | -14.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | N305 A306 | N305-G309 PolarHBondContact O-N 3.36Å; A306-G309 PolarHBondContact O-N 3.01Å |
| 310 | N | 52.3 | Low | 67.4 | Low | 146 Ų | 146 | 111.7 Ų | 111.7 | 78% | 0.781 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 14.6 | -175.2 | -141.3 | 71.3 | 0 | 0 | 0 | 113.7 | K308 | K308-N310 VanDerWaalsContact C-N 3.27Å; K308-N310 PolarHBondContact O-N 3.39Å |
| 311 | Q | 52.2 | Low | 66.2 | Low | 173 Ų | 173 | 115.3 Ų | 115.3 | 81% | 0.808 | 64% | 0.639 | S | S | * | * | trans | -112.4 | 21.6 | 178.4 | -78.7 | -163.3 | -26.5 | 0 | 0 | 113.8 | ||||
| 312 | I | 45 | Very low | 65.1 | Low | 222 Ų | 222 | 121.2 Ų | 121.2 | 100% | 1.138 | 67% | 0.665 | S | S | * | * | trans | -106.1 | 0 | 173.7 | -44.1 | -179.2 | 0 | 0 | 0 | 109.6 |
Retrieved 312 of 312 residues in 390.3 ms
(Link to these results)