| 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 | 40.9 | Very low | 44.7 | Very low | 240 Ų | 240 | 145.5 Ų | 145.5 | 100% | 1.182 | 86% | 0.858 | S | S | * | * | 0 | 133.9 | 0 | -71.5 | -164.9 | -172.8 | 0 | 0 | 108.4 | |||||
| 2 | A | 44.3 | Very low | 44.5 | Very low | 99 Ų | 99 | 153.3 Ų | 153.3 | 82% | 0.818 | 86% | 0.862 | S | S | * | * | trans | 43.3 | 140.1 | 154.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 3 | R | 42.9 | Very low | 44.9 | Very low | 243 Ų | 243 | 150.7 Ų | 150.7 | 92% | 0.917 | 86% | 0.855 | S | S | * | * | cis | -177.4 | 145.2 | -11.8 | -117.8 | -178.6 | 178.2 | -177.4 | -0.2 | 101.8 | ||||
| 4 | G | 43.1 | Very low | 44.5 | Very low | 71 Ų | 71 | 150 Ų | 150 | 73% | 0.732 | 85% | 0.848 | S | S | * | * | trans | -69.2 | -140 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 5 | P | 52.8 | Low | 43.9 | Very low | 137 Ų | 137 | 150.1 Ų | 150.1 | 89% | 0.89 | 85% | 0.853 | S | S | * | * | cis | -143.5 | -173.5 | -7.5 | 38.6 | -18.1 | 0 | 0 | 0 | 113.8 | ||||
| 6 | G | 44.3 | Very low | 43.8 | Very low | 70 Ų | 70 | 149.1 Ų | 149.1 | 72% | 0.722 | 85% | 0.851 | S | S | * | * | trans | 134.8 | 106.9 | 142.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 7 | P | 48.5 | Very low | 43.3 | Very low | 128 Ų | 128 | 145.2 Ų | 145.2 | 83% | 0.831 | 84% | 0.841 | S | S | * | * | trans | -101.6 | 140.6 | 165.6 | 34.6 | -23.9 | 0 | 0 | 0 | 112.1 | ||||
| 8 | L | 50.2 | Low | 42.8 | Very low | 183 Ų | 183 | 145.4 Ų | 145.4 | 96% | 0.958 | 84% | 0.835 | S | S | * | * | trans | -127.9 | 131.4 | 167.7 | -64.6 | 166.6 | 0 | 0 | 0 | 105.4 | ||||
| 9 | G | 36.7 | Very low | 42.6 | Very low | 70 Ų | 70 | 144.3 Ų | 144.3 | 72% | 0.722 | 83% | 0.833 | S | S | * | * | cis | 134.3 | 121 | 14.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 10 | R | 46.1 | Very low | 42.2 | Very low | 245 Ų | 245 | 145.7 Ų | 145.7 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | trans | 88.7 | 157.5 | 157.9 | -67.8 | -170.2 | 171.7 | -168.3 | -1.3 | 120.6 | ||||
| 11 | P | 42.3 | Very low | 41.8 | Very low | 114 Ų | 114 | 150.9 Ų | 150.9 | 74% | 0.74 | 84% | 0.835 | S | S | * | * | cis | -139.2 | 168.2 | -36.8 | 36.4 | -18.4 | 0 | 0 | 0 | 114.6 | ||||
| 12 | R | 42.2 | Very low | 41.5 | Very low | 240 Ų | 240 | 143 Ų | 143 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | trans | -69.8 | 153.1 | 165.4 | -84.1 | -179.3 | 171.2 | 175.4 | -2.7 | 111.4 | ||||
| 13 | P | 49.6 | Very low | 41.3 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | -111.4 | 110.2 | 155.5 | 32.6 | -19.3 | 0 | 0 | 0 | 111.9 | ||||
| 14 | D | 39.5 | Very low | 40.9 | Very low | 141 Ų | 141 | 148 Ų | 148 | 75% | 0.754 | 82% | 0.819 | S | S | * | * | 33.7 | 116.9 | 127.1 | -58.6 | -31.6 | 0 | 0 | 0 | 121.8 | V16 | D14-V16 PolarHBondContact O-N 3.38Š| |||
| 15 | T | 35.1 | Very low | 40.8 | Very low | 152 Ų | 152 | 151.7 Ų | 151.7 | 93% | 0.933 | 82% | 0.821 | S | S | * | * | trans | -58.6 | 113.1 | 155 | -33.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 16 | V | 43.1 | Very low | 40.1 | Very low | 134 Ų | 134 | 154.6 Ų | 154.6 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | trans | -110.5 | 121.9 | 171.3 | 179.2 | 0 | 0 | 0 | 0 | 110 | D14 | D14-V16 PolarHBondContact O-N 3.38Š| ||
| 17 | A | 34.4 | Very low | 39.8 | Very low | 82 Ų | 82 | 160.7 Ų | 160.7 | 68% | 0.678 | 83% | 0.827 | S | S | * | * | trans | -97.3 | 153.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 18 | M | 33.8 | Very low | 39.4 | Very low | 149 Ų | 149 | 166.1 Ų | 166.1 | 73% | 0.734 | 83% | 0.831 | S | S | * | * | trans | 79.1 | 152.1 | 163.4 | -68.6 | -85 | 152.2 | 0 | 0 | 117.2 | K20 | M18-K20 HydrophobicContact SD-CG 4.43Š| ||
| 19 | P | 38.9 | Very low | 38.7 | Very low | 124 Ų | 124 | 162.2 Ų | 162.2 | 81% | 0.805 | 83% | 0.825 | S | S | * | * | cis | -136.7 | 168.8 | 24.2 | 37.7 | -16.9 | 0 | 0 | 0 | 118 | ||||
| 20 | K | 35.3 | Very low | 38.7 | Very low | 172 Ų | 172 | 167.5 Ų | 167.5 | 75% | 0.748 | 83% | 0.83 | S | S | * | * | trans | -68.4 | 142.7 | 175.4 | -64 | 169.9 | 177.8 | 172.6 | 0 | 112.2 | M18 | M18-K20 HydrophobicContact SD-CG 4.43Š| ||
| 21 | R | 33.7 | Very low | 38.2 | Very low | 255 Ų | 255 | 163.8 Ų | 163.8 | 96% | 0.962 | 83% | 0.829 | S | S | * | * | S | Bend | trans | 47.3 | 118.6 | 151.9 | -75.3 | -175.1 | 171.8 | -165.8 | -2.2 | 119.1 | ||
| 22 | G | 34.4 | Very low | 37.9 | Very low | 75 Ų | 75 | 163.3 Ų | 163.3 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | trans | 101.2 | 96.9 | 130.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 23 | K | 40.1 | Very low | 37.8 | Very low | 202 Ų | 202 | 157.7 Ų | 157.7 | 88% | 0.878 | 83% | 0.83 | S | S | * | * | trans | -154.9 | 116.7 | 148.4 | -107.9 | 166 | -171.7 | -178.2 | 0 | 110.2 | L25 | K23-L25 PolarHBondContact O-N 3.37Š| ||
| 24 | R | 34.4 | Very low | 37.4 | Very low | 244 Ų | 244 | 157.7 Ų | 157.7 | 92% | 0.921 | 83% | 0.834 | S | S | * | * | trans | -71.2 | 108.4 | 178.4 | -179.7 | 177.9 | 171 | -171.5 | -1.7 | 108.7 | ||||
| 25 | L | 41.8 | Very low | 37.4 | Very low | 149 Ų | 149 | 155.1 Ų | 155.1 | 78% | 0.78 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 127.2 | 171.7 | -102 | 87.2 | 0 | 0 | 0 | 110.2 | K23 | K23-L25 PolarHBondContact O-N 3.37Š|
| 26 | K | 38.5 | Very low | 37.8 | Very low | 199 Ų | 199 | 158.5 Ų | 158.5 | 87% | 0.865 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 123.4 | 170.2 | -63 | -178.6 | 178.1 | -179.1 | 0 | 108.1 | ||
| 27 | F | 37.7 | Very low | 38.4 | Very low | 197 Ų | 197 | 157.2 Ų | 157.2 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 128.2 | 170.8 | -111.2 | -91.7 | 0 | 0 | 0 | 110 | ||
| 28 | R | 39.1 | Very low | 39.9 | Very low | 243 Ų | 243 | 156.8 Ų | 156.8 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 137.3 | 169.9 | -86.5 | -178.6 | 169.6 | 175.1 | -3.7 | 108.9 | H30 | R28-H30 PolarHBondContact O-N 3.35Š|
| 29 | A | 35.2 | Very low | 40.9 | Very low | 100 Ų | 100 | 154.6 Ų | 154.6 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | -82.3 | 100.7 | 179 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 30 | H | 37.2 | Very low | 41.7 | Very low | 182 Ų | 182 | 152 Ų | 152 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -164.5 | 74.7 | 156.4 | -128.4 | -78.8 | 0 | 0 | 0 | 108.9 | R28 | R28-H30 PolarHBondContact O-N 3.35Š| ||
| 31 | D | 36.9 | Very low | 43.2 | Very low | 166 Ų | 166 | 148.7 Ų | 148.7 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -166.6 | 77.6 | 157.4 | -98.2 | -22.5 | 0 | 0 | 0 | 107.7 | ||||
| 32 | A | 35.9 | Very low | 44.5 | Very low | 104 Ų | 104 | 144 Ų | 144 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -86.6 | 103.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 33 | C | 38.7 | Very low | 45.2 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -139.8 | 112.9 | 169.1 | -91.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 34 | S | 42.6 | Very low | 46 | Very low | 120 Ų | 120 | 143.6 Ų | 143.6 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 50.6 | 94 | 158.8 | -71.2 | 0 | 0 | 0 | 0 | 120.2 | R36 | S34-R36 PolarHBondContact O-N 2.86Š|
| 35 | G | 37.9 | Very low | 46.7 | Very low | 86 Ų | 86 | 134.1 Ų | 134.1 | 89% | 0.887 | 75% | 0.75 | S | S | * | * | 66.2 | 40.7 | 117.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 36 | R | 44.8 | Very low | 47 | Very low | 224 Ų | 224 | 131.7 Ų | 131.7 | 85% | 0.845 | 74% | 0.738 | S | S | * | * | trans | -113 | 98 | 166.7 | -73.4 | -169.5 | 179 | -169.7 | 1.2 | 110.6 | S34 T38 | S34-R36 PolarHBondContact O-N 2.86Å; R36-T38 PolarHBondContact O-N 3.46Å | ||
| 37 | V | 55.5 | Low | 47.5 | Very low | 106 Ų | 106 | 126.5 Ų | 126.5 | 64% | 0.642 | 73% | 0.725 | S | S | * | * | trans | -59 | 116 | 158.8 | -179.5 | 0 | 0 | 0 | 0 | 106.9 | D41 Y42 | V37-D41 WeakPolarHBondContact CA-OD2 3.5Å; V37-D41 HydrophobicContact CG1-CB 4.13Å; V37-Y42 HydrophobicContact CG1-CE2 3.73Å | ||
| 38 | T | 65.1 | Low | 48.1 | Very low | 73 Ų | 73 | 120.7 Ų | 120.7 | 45% | 0.448 | 71% | 0.713 | S | S | . | * | trans | -97.2 | 159.1 | 173.5 | 67.2 | 0 | 0 | 0 | 0 | 109.4 | R36 A40 D41 | R36-T38 PolarHBondContact O-N 3.46Å; T38-A40 PolarHBondContact O-N 3.38Å; T38-D41 PolarHBondContact N-OD2 3.14Å; T38-D41 WeakPolarHBondContact O-CB 3.43Å; T38-D41 PolarHBondContact O-N 3.03Å; T38-D41 PolarHBondContact OG1-OD2 3.22Å | ||
| 39 | V | 54.9 | Low | 48.7 | Very low | 103 Ų | 103 | 114.5 Ų | 114.5 | 62% | 0.624 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -56.2 | -19.4 | 177.9 | 176.8 | 0 | 0 | 0 | 0 | 112.3 | D41 S45 | V39-D41 VanDerWaalsContact C-N 3.27Å; V39-D41 PolarHBondContact O-N 3.11Å; V39-S45 WeakPolarHBondContact O-CB 3.18Å; V39-S45 PolarHBondContact O-OG 2.9Å |
| 40 | A | 55.9 | Low | 49.5 | Very low | 70 Ų | 70 | 114.9 Ų | 114.9 | 58% | 0.579 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -74.5 | -9.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T38 | T38-A40 PolarHBondContact O-N 3.38Š|
| 41 | D | 67.3 | Low | 49.9 | Very low | 102 Ų | 102 | 117 Ų | 117 | 55% | 0.545 | 69% | 0.694 | S | S | . | * | G | 310 helix | trans | -90.1 | 2.4 | -175 | -58.7 | -36.9 | 0 | 0 | 0 | 113.6 | V37 T38 V39 | V37-D41 WeakPolarHBondContact CA-OD2 3.5Å; V37-D41 HydrophobicContact CG1-CB 4.13Å; T38-D41 PolarHBondContact N-OD2 3.14Å; T38-D41 WeakPolarHBondContact O-CB 3.43Å; T38-D41 PolarHBondContact O-N 3.03Å; T38-D41 PolarHBondContact OG1-OD2 3.22Å; V39-D41 VanDerWaalsContact C-N 3.27Å; V39-D41 PolarHBondContact O-N 3.11Å |
| 42 | Y | 61.3 | Low | 50.2 | Low | 158 Ų | 158 | 112.9 Ų | 112.9 | 62% | 0.62 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -106 | 139.4 | 175.5 | -67.5 | -85.1 | 0 | 0 | 0 | 111.4 | V37 N44 S45 | V37-Y42 HydrophobicContact CG1-CE2 3.73Å; Y42-N44 PolarHBondContact O-N 3.03Å; Y42-S45 PolarHBondContact O-N 2.71Å; Y42-S45 VanDerWaalsContact O-N 3.16Å |
| 43 | A | 48.6 | Very low | 50.9 | Low | 106 Ų | 106 | 112.5 Ų | 112.5 | 88% | 0.876 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 3.2 | -163.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 44 | N | 56.7 | Low | 51.3 | Low | 162 Ų | 162 | 116.8 Ų | 116.8 | 87% | 0.866 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.1 | 13 | 178.9 | -77.2 | -16.3 | 0 | 0 | 0 | 114.3 | Y42 D46 | Y42-N44 PolarHBondContact O-N 3.03Å; N44-D46 PolarHBondContact O-N 2.62Å |
| 45 | S | 48.6 | Very low | 52 | Low | 44 Ų | 44 | 116 Ų | 116 | 31% | 0.308 | 67% | 0.673 | S | S | . | * | trans | -86.6 | 90.7 | -178.9 | -64.4 | 0 | 0 | 0 | 0 | 111.4 | V39 Y42 P47 | V39-S45 WeakPolarHBondContact O-CB 3.18Å; V39-S45 PolarHBondContact O-OG 2.9Å; Y42-S45 PolarHBondContact O-N 2.71Å; Y42-S45 VanDerWaalsContact O-N 3.16Å; S45-P47 WeakPolarHBondContact O-CD 3.44Å; S45-P47 VanDerWaalsContact O-N 3.16Å | ||
| 46 | D | 48 | Very low | 53.3 | Low | 98 Ų | 98 | 119.5 Ų | 119.5 | 52% | 0.524 | 66% | 0.664 | S | S | . | * | trans | -59.4 | 114.8 | 165.9 | -178.1 | -5.6 | 0 | 0 | 0 | 109.4 | N44 A48 V49 | N44-D46 PolarHBondContact O-N 2.62Å; D46-A48 PolarHBondContact O-N 3.11Å; D46-A48 WeakPolarHBondContact OD1-CB 3.5Å; D46-A48 PolarHBondContact OD1-N 3.46Å; D46-V49 PolarHBondContact O-N 3.1Å | ||
| 47 | P | 49.9 | Very low | 54.6 | Low | 91 Ų | 91 | 116.8 Ų | 116.8 | 59% | 0.591 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -11.3 | 179.7 | -18.8 | 31.7 | 0 | 0 | 0 | 113.8 | S45 | S45-P47 WeakPolarHBondContact O-CD 3.44Å; S45-P47 VanDerWaalsContact O-N 3.16Å |
| 48 | A | 50.3 | Low | 55.3 | Low | 74 Ų | 74 | 115.2 Ų | 115.2 | 61% | 0.612 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -21.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D46 | D46-A48 PolarHBondContact O-N 3.11Å; D46-A48 WeakPolarHBondContact OD1-CB 3.5Å; D46-A48 PolarHBondContact OD1-N 3.46Å |
| 49 | V | 52.1 | Low | 55.2 | Low | 114 Ų | 114 | 115.6 Ų | 115.6 | 69% | 0.691 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -83.9 | -24.2 | -177 | -177.3 | 0 | 0 | 0 | 0 | 112.4 | D46 R51 | D46-V49 PolarHBondContact O-N 3.1Å; V49-R51 PolarHBondContact O-N 2.89Å |
| 50 | V | 50.2 | Low | 55.7 | Low | 107 Ų | 107 | 112.9 Ų | 112.9 | 65% | 0.648 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -6.7 | -169.8 | -169.4 | 0 | 0 | 0 | 0 | 113.3 | S52 | V50-S52 PolarHBondContact O-N 3.36Š|
| 51 | R | 46.9 | Very low | 56.4 | Low | 228 Ų | 228 | 113.3 Ų | 113.3 | 86% | 0.86 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -1.2 | -172.4 | -72 | -163.1 | 176.1 | 178.3 | 1 | 116.6 | V49 | V49-R51 PolarHBondContact O-N 2.89Š|
| 52 | S | 43.6 | Very low | 56.5 | Low | 78 Ų | 78 | 110.7 Ų | 110.7 | 55% | 0.545 | 63% | 0.632 | S | S | . | * | trans | -136.7 | 110 | 167.8 | 66.5 | 0 | 0 | 0 | 0 | 109.6 | V50 R54 | V50-S52 PolarHBondContact O-N 3.36Å; S52-R54 PolarHBondContact O-N 3.21Å | ||
| 53 | G | 50.5 | Low | 56.6 | Low | 97 Ų | 97 | 107 Ų | 107 | 100% | 1 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -63.8 | 27.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 54 | R | 46.1 | Very low | 57.4 | Low | 212 Ų | 212 | 106.1 Ų | 106.1 | 80% | 0.8 | 60% | 0.604 | S | S | * | * | trans | -121.4 | 97.4 | 175.9 | -162.2 | 177.9 | -154.2 | 176.8 | 6.9 | 108.1 | S52 K56 | S52-R54 PolarHBondContact O-N 3.21Å; R54-K56 PolarHBondContact O-N 3.24Å; R54-K56 VanDerWaalsContact O-N 3.08Å | ||
| 55 | V | 57.9 | Low | 57.9 | Low | 104 Ų | 104 | 104.4 Ų | 104.4 | 63% | 0.63 | 59% | 0.59 | S | S | * | * | trans | -57 | 116.4 | 168.4 | -179 | 0 | 0 | 0 | 0 | 107.3 | K57 V59 A60 | V55-K57 PolarHBondContact O-N 3.23Å; V55-V59 HydrophobicContact CG1-CB 3.92Å; V55-V59 HydrophobicContact CG1-CG1 4.03Å; V55-A60 HydrophobicContact CG1-CB 4.09Å | ||
| 56 | K | 64.7 | Low | 58.5 | Low | 158 Ų | 158 | 108.3 Ų | 108.3 | 69% | 0.687 | 60% | 0.604 | S | S | * | * | trans | -61.4 | 137.4 | 175.9 | -73.4 | -179.7 | 179.6 | 173.4 | 0 | 107.9 | R54 A58 V59 A60 | R54-K56 PolarHBondContact O-N 3.24Å; R54-K56 VanDerWaalsContact O-N 3.08Å; K56-A58 PolarHBondContact O-N 3.34Å; K56-V59 HydrophobicContact CB-CG2 4.44Å; K56-V59 WeakPolarHBondContact O-CA 3.33Å; K56-V59 WeakPolarHBondContact O-CB 3.48Å; K56-V59 PolarHBondContact O-N 3.14Å; K56-A60 PolarHBondContact O-N 3.47Å | ||
| 57 | K | 71.7 | Confident | 58.9 | Low | 168 Ų | 168 | 107.2 Ų | 107.2 | 73% | 0.73 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -48.6 | -32.3 | 179.9 | -172.2 | 176.7 | -179.2 | -180 | 0 | 113.2 | V55 N61 | V55-K57 PolarHBondContact O-N 3.23Å; K57-N61 VanDerWaalsContact O-CB 3.29Å; K57-N61 WeakPolarHBondContact O-CB 3.47Å; K57-N61 VanDerWaalsContact O-CG 3.22Å; K57-N61 PolarHBondContact O-N 3.05Å |
| 58 | A | 71.2 | Confident | 59.5 | Low | 73 Ų | 73 | 107.9 Ų | 107.9 | 60% | 0.603 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.8 | -40.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K56 N61 A62 | K56-A58 PolarHBondContact O-N 3.34Å; A58-N61 PolarHBondContact O-N 3.24Å; A58-A62 WeakPolarHBondContact O-CB 3.32Å; A58-A62 PolarHBondContact O-N 2.9Å |
| 59 | V | 62.1 | Low | 59.7 | Low | 80 Ų | 80 | 107.5 Ų | 107.5 | 49% | 0.485 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -70.5 | -43.2 | 177.4 | 179.6 | 0 | 0 | 0 | 0 | 110.4 | V55 K56 N61 A62 V63 | V55-V59 HydrophobicContact CG1-CB 3.92Å; V55-V59 HydrophobicContact CG1-CG1 4.03Å; K56-V59 HydrophobicContact CB-CG2 4.44Å; K56-V59 WeakPolarHBondContact O-CA 3.33Å; K56-V59 WeakPolarHBondContact O-CB 3.48Å; K56-V59 PolarHBondContact O-N 3.14Å; V59-N61 VanDerWaalsContact C-N 3.3Å; V59-N61 PolarHBondContact O-N 2.95Å; V59-A62 PolarHBondContact O-N 3.09Å; V59-V63 HydrophobicContact CG1-CG2 4.5Å; V59-V63 WeakPolarHBondContact O-CG2 3.4Å; V59-V63 PolarHBondContact O-N 3.07Å |
| 60 | A | 66.8 | Low | 59.8 | Low | 47 Ų | 47 | 108.2 Ų | 108.2 | 39% | 0.388 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61 | -40 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | V55 K56 Q64 | V55-A60 HydrophobicContact CG1-CB 4.09Å; K56-A60 PolarHBondContact O-N 3.47Å; A60-Q64 VanDerWaalsContact O-CB 3.26Å; A60-Q64 WeakPolarHBondContact O-CB 3.35Å; A60-Q64 PolarHBondContact O-N 2.97Å |
| 61 | N | 70.1 | Confident | 59.7 | Low | 78 Ų | 78 | 106.4 Ų | 106.4 | 42% | 0.417 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.5 | -37.4 | 174.7 | -78 | -11.8 | 0 | 0 | 0 | 112.4 | K57 A58 V59 Q64 Q65 | K57-N61 VanDerWaalsContact O-CB 3.29Å; K57-N61 WeakPolarHBondContact O-CB 3.47Å; K57-N61 VanDerWaalsContact O-CG 3.22Å; K57-N61 PolarHBondContact O-N 3.05Å; A58-N61 PolarHBondContact O-N 3.24Å; V59-N61 VanDerWaalsContact C-N 3.3Å; V59-N61 PolarHBondContact O-N 2.95Å; N61-Q64 PolarHBondContact O-N 3.34Å; N61-Q65 WeakPolarHBondContact O-CB 3.43Å; N61-Q65 VanDerWaalsContact O-CG 3.23Å; N61-Q65 WeakPolarHBondContact O-CG 3.5Å; N61-Q65 PolarHBondContact O-N 3.46Å |
| 62 | A | 69 | Low | 59.5 | Low | 48 Ų | 48 | 98.4 Ų | 98.4 | 40% | 0.397 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.3 | -48.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | A58 V59 Q64 Q65 E66 | A58-A62 WeakPolarHBondContact O-CB 3.32Å; A58-A62 PolarHBondContact O-N 2.9Å; V59-A62 PolarHBondContact O-N 3.09Å; A62-Q64 VanDerWaalsContact C-N 3.28Å; A62-Q64 PolarHBondContact O-N 3.01Å; A62-Q65 PolarHBondContact O-N 3.42Å; A62-E66 PolarHBondContact O-N 2.92Å |
| 63 | V | 64.4 | Low | 59.1 | Low | 79 Ų | 79 | 100.4 Ų | 100.4 | 48% | 0.479 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -58.9 | -41.4 | 173.4 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | V59 Q65 E66 V67 | V59-V63 HydrophobicContact CG1-CG2 4.5Å; V59-V63 WeakPolarHBondContact O-CG2 3.4Å; V59-V63 PolarHBondContact O-N 3.07Å; V63-Q65 VanDerWaalsContact C-N 3.34Å; V63-Q65 PolarHBondContact O-N 3.25Å; V63-E66 PolarHBondContact O-N 2.9Å; V63-V67 HydrophobicContact CG1-CG2 4.32Å; V63-V67 WeakPolarHBondContact O-CB 3.2Å; V63-V67 WeakPolarHBondContact O-CG2 3.42Å; V63-V67 PolarHBondContact O-N 3.36Å |
| 64 | Q | 65.5 | Low | 58.3 | Low | 89 Ų | 89 | 104.3 Ų | 104.3 | 42% | 0.416 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.5 | -34.9 | 175.9 | -171.2 | -179.1 | -0.1 | 0 | 0 | 112.8 | A60 N61 A62 K68 | A60-Q64 VanDerWaalsContact O-CB 3.26Å; A60-Q64 WeakPolarHBondContact O-CB 3.35Å; A60-Q64 PolarHBondContact O-N 2.97Å; N61-Q64 PolarHBondContact O-N 3.34Å; A62-Q64 VanDerWaalsContact C-N 3.28Å; A62-Q64 PolarHBondContact O-N 3.01Å; Q64-K68 WeakPolarHBondContact O-CB 3.34Å; Q64-K68 VanDerWaalsContact O-CG 3.23Å; Q64-K68 WeakPolarHBondContact O-CG 3.43Å; Q64-K68 PolarHBondContact O-N 3.4Å |
| 65 | Q | 67.4 | Low | 57.7 | Low | 125 Ų | 125 | 99.5 Ų | 99.5 | 58% | 0.584 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -72.9 | -41.2 | 176.2 | -74.4 | -71.9 | 1.9 | 0 | 0 | 111.5 | N61 A62 V63 K68 S69 | N61-Q65 WeakPolarHBondContact O-CB 3.43Å; N61-Q65 VanDerWaalsContact O-CG 3.23Å; N61-Q65 WeakPolarHBondContact O-CG 3.5Å; N61-Q65 PolarHBondContact O-N 3.46Å; A62-Q65 PolarHBondContact O-N 3.42Å; V63-Q65 VanDerWaalsContact C-N 3.34Å; V63-Q65 PolarHBondContact O-N 3.25Å; Q65-K68 PolarHBondContact O-N 2.98Å; Q65-S69 WeakPolarHBondContact O-CB 3.27Å; Q65-S69 PolarHBondContact O-N 3.38Å |
| 66 | E | 59.5 | Low | 56.4 | Low | 126 Ų | 126 | 99.6 Ų | 99.6 | 59% | 0.589 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.3 | -44.3 | 173.9 | -76.3 | 177.7 | 174.6 | 0 | 0 | 111.3 | A62 V63 K68 S69 L70 | A62-E66 PolarHBondContact O-N 2.92Å; V63-E66 PolarHBondContact O-N 2.9Å; E66-K68 VanDerWaalsContact C-N 3.31Å; E66-K68 PolarHBondContact O-N 3.11Å; E66-S69 WeakPolarHBondContact O-CB 3.29Å; E66-S69 PolarHBondContact O-N 2.94Å; E66-L70 WeakPolarHBondContact O-CB 3.37Å; E66-L70 VanDerWaalsContact O-CG 3.3Å; E66-L70 WeakPolarHBondContact O-CG 3.47Å; E66-L70 PolarHBondContact O-N 2.59Å |
| 67 | V | 58.1 | Low | 54.7 | Low | 75 Ų | 75 | 100.6 Ų | 100.6 | 46% | 0.455 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.8 | -41 | 174.1 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | V63 C71 | V63-V67 HydrophobicContact CG1-CG2 4.32Å; V63-V67 WeakPolarHBondContact O-CB 3.2Å; V63-V67 WeakPolarHBondContact O-CG2 3.42Å; V63-V67 PolarHBondContact O-N 3.36Å; V67-C71 VanDerWaalsContact O-CB 3.31Å; V67-C71 WeakPolarHBondContact O-CB 2.98Å; V67-C71 PolarHBondContact O-N 3.4Å; V67-C71 PolarHBondContact O-SG 2.71Å |
| 68 | K | 62.3 | Low | 52.9 | Low | 105 Ų | 105 | 99 Ų | 99 | 46% | 0.457 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.4 | -38.8 | 175 | -78.7 | 174.2 | -179.8 | 179.5 | 0 | 112.9 | Q64 Q65 E66 G72 | Q64-K68 WeakPolarHBondContact O-CB 3.34Å; Q64-K68 VanDerWaalsContact O-CG 3.23Å; Q64-K68 WeakPolarHBondContact O-CG 3.43Å; Q64-K68 PolarHBondContact O-N 3.4Å; Q65-K68 PolarHBondContact O-N 2.98Å; E66-K68 VanDerWaalsContact C-N 3.31Å; E66-K68 PolarHBondContact O-N 3.11Å; K68-G72 PolarHBondContact O-N 3.27Å |
| 69 | S | 54.8 | Low | 50.9 | Low | 66 Ų | 66 | 101.1 Ų | 101.1 | 46% | 0.462 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.5 | -43.9 | 177.2 | -174 | 0 | 0 | 0 | 0 | 111.2 | Q65 E66 G72 | Q65-S69 WeakPolarHBondContact O-CB 3.27Å; Q65-S69 PolarHBondContact O-N 3.38Å; E66-S69 WeakPolarHBondContact O-CB 3.29Å; E66-S69 PolarHBondContact O-N 2.94Å; S69-G72 PolarHBondContact O-N 2.89Å |
| 70 | L | 52.7 | Low | 49.5 | Very low | 129 Ų | 129 | 101.9 Ų | 101.9 | 68% | 0.675 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -74.7 | -26.1 | -178.3 | -71.2 | 165 | 0 | 0 | 0 | 113.3 | E66 | E66-L70 WeakPolarHBondContact O-CB 3.37Å; E66-L70 VanDerWaalsContact O-CG 3.3Å; E66-L70 WeakPolarHBondContact O-CG 3.47Å; E66-L70 PolarHBondContact O-N 2.59Å |
| 71 | C | 47.6 | Very low | 48.2 | Very low | 69 Ų | 69 | 107.9 Ų | 107.9 | 47% | 0.466 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.4 | -6.5 | 177.4 | -62.1 | 0 | 0 | 0 | 0 | 113.9 | V67 L275 | V67-C71 VanDerWaalsContact O-CB 3.31Å; V67-C71 WeakPolarHBondContact O-CB 2.98Å; V67-C71 PolarHBondContact O-N 3.4Å; V67-C71 PolarHBondContact O-SG 2.71Å; C71-L275 WeakPolarHBondContact SG-CD2 3.09Å |
| 72 | G | 44.7 | Very low | 46.4 | Very low | 61 Ų | 61 | 112.8 Ų | 112.8 | 63% | 0.629 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -118.8 | 3.7 | -172 | 0 | 0 | 0 | 0 | 0 | 115.5 | K68 S69 | K68-G72 PolarHBondContact O-N 3.27Å; S69-G72 PolarHBondContact O-N 2.89Å |
| 73 | L | 33.2 | Very low | 44.9 | Very low | 120 Ų | 120 | 114.7 Ų | 114.7 | 63% | 0.628 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -129 | 123.6 | -178.3 | -72.3 | 164.4 | 0 | 0 | 0 | 109.1 | ||
| 74 | E | 34.3 | Very low | 43.7 | Very low | 179 Ų | 179 | 118.5 Ų | 118.5 | 84% | 0.836 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 80.5 | 76.8 | 171.1 | -48.6 | -150.7 | 166.9 | 0 | 0 | 118.3 | ||
| 75 | A | 33.6 | Very low | 42.1 | Very low | 110 Ų | 110 | 119.7 Ų | 119.7 | 91% | 0.909 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -158.7 | 25.8 | 150.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 76 | S | 30 | Very low | 40.6 | Very low | 106 Ų | 106 | 117.4 Ų | 117.4 | 74% | 0.741 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -143.2 | 80.2 | 179.3 | 162.5 | 0 | 0 | 0 | 0 | 108.3 | ||
| 77 | Q | 29.7 | Very low | 39.5 | Very low | 179 Ų | 179 | 116.5 Ų | 116.5 | 84% | 0.836 | 72% | 0.722 | S | S | * | * | trans | 170.3 | 98.3 | 151.6 | -96.6 | 173.7 | 72.8 | 0 | 0 | 109 | ||||
| 78 | V | 33.3 | Very low | 38.4 | Very low | 136 Ų | 136 | 116.8 Ų | 116.8 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | trans | -131.3 | 109.8 | 151.6 | -179.3 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 79 | P | 30 | Very low | 37.3 | Very low | 117 Ų | 117 | 121 Ų | 121 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | trans | -77.9 | 120.6 | 163.7 | -0.9 | 18.9 | 0 | 0 | 0 | 107.7 | ||||
| 80 | A | 32.6 | Very low | 36.3 | Very low | 96 Ų | 96 | 122.9 Ų | 122.9 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | trans | -112.6 | 98.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 81 | E | 38.7 | Very low | 35.8 | Very low | 173 Ų | 173 | 123.2 Ų | 123.2 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | -75.7 | 138.4 | 164.7 | -86 | -172.6 | 162.2 | 0 | 0 | 110.6 | ||||
| 82 | E | 33.1 | Very low | 35.3 | Very low | 181 Ų | 181 | 126.3 Ų | 126.3 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | 57.5 | 107.1 | 148.1 | -61.5 | -170.6 | 164.3 | 0 | 0 | 120.7 | ||||
| 83 | A | 37.7 | Very low | 35.4 | Very low | 88 Ų | 88 | 131.8 Ų | 131.8 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | -165.1 | 117.9 | 129.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 84 | L | 38.8 | Very low | 36.2 | Very low | 158 Ų | 158 | 132.7 Ų | 132.7 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | trans | 83 | 88.6 | 140.8 | -59.3 | 162.8 | 0 | 0 | 0 | 120.3 | ||||
| 85 | S | 32.5 | Very low | 36.6 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | 31.6 | 125.4 | 117.9 | 60.7 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 86 | G | 35.3 | Very low | 37.1 | Very low | 77 Ų | 77 | 130.3 Ų | 130.3 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | 148.9 | 86.8 | 155 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 87 | A | 35.6 | Very low | 37.9 | Very low | 108 Ų | 108 | 129.8 Ų | 129.8 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | 93.8 | 118.1 | 83.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 88 | G | 35.6 | Very low | 38.7 | Very low | 81 Ų | 81 | 127.6 Ų | 127.6 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | 94.6 | 126.2 | 165 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 89 | E | 39.6 | Very low | 39.4 | Very low | 192 Ų | 192 | 128.2 Ų | 128.2 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | cis | -170.6 | 143.6 | 8.1 | -150.8 | 175.9 | -163.4 | 0 | 0 | 106.1 | ||||
| 90 | P | 34.6 | Very low | 40.5 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | trans | -101.5 | 153.9 | -174.4 | 36.8 | -28.9 | 0 | 0 | 0 | 113 | ||||
| 91 | C | 42 | Very low | 41.1 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 92% | 0.919 | 77% | 0.774 | S | S | * | * | trans | -134.9 | 118.9 | 159.3 | -92.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 92 | D | 36.4 | Very low | 41.4 | Very low | 133 Ų | 133 | 125.6 Ų | 125.6 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | -61.3 | 154 | 178.1 | -55 | -62.1 | 0 | 0 | 0 | 113 | ||||
| 93 | I | 46.6 | Very low | 41.8 | Very low | 176 Ų | 176 | 125.3 Ų | 125.3 | 90% | 0.903 | 76% | 0.759 | S | S | * | * | -158.3 | 134.8 | 128.7 | -88.7 | 144.2 | 0 | 0 | 0 | 108.4 | |||||
| 94 | I | 50.3 | Low | 41.7 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | trans | -86 | 171 | -159.7 | -70.2 | 154.7 | 0 | 0 | 0 | 113.3 | ||||
| 95 | D | 42.3 | Very low | 41.5 | Very low | 148 Ų | 148 | 129.3 Ų | 129.3 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | 103.4 | 130.4 | 155.1 | -92.6 | -5.2 | 0 | 0 | 0 | 115.9 | ||||
| 96 | S | 44.7 | Very low | 41.7 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | cis | 177.4 | 145.1 | -0.5 | 173 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 97 | S | 47.4 | Very low | 41.9 | Very low | 95 Ų | 95 | 132.2 Ų | 132.2 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | trans | 63.1 | 134.6 | 137.9 | 177.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 98 | D | 44.8 | Very low | 41.8 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | cis | -177.6 | 163.4 | 4.7 | -114.3 | -27.9 | 0 | 0 | 0 | 111.2 | ||||
| 99 | E | 49.3 | Very low | 41.8 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | trans | 91.8 | 111.2 | 145.6 | -60.1 | -105.1 | 133.4 | 0 | 0 | 122.5 | ||||
| 100 | M | 53.7 | Low | 41.6 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | 70.5 | 137.6 | 127.8 | -63.1 | -165.5 | 83.4 | 0 | 0 | 119.1 | |||||
| 101 | D | 45 | Very low | 41.9 | Very low | 130 Ų | 130 | 142.2 Ų | 142.2 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | cis | -166.1 | 154.3 | 1.9 | -141.6 | -9.7 | 0 | 0 | 0 | 110.4 | ||||
| 102 | A | 45.2 | Very low | 41.5 | Very low | 63 Ų | 63 | 141.8 Ų | 141.8 | 52% | 0.521 | 74% | 0.744 | S | S | . | * | trans | 46 | 118.8 | 142.3 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 103 | Q | 40.2 | Very low | 41.9 | Very low | 175 Ų | 175 | 141 Ų | 141 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | 66.1 | 153.1 | 122.2 | -69.9 | -175.8 | -61.7 | 0 | 0 | 120.4 | |||||
| 104 | E | 36.9 | Very low | 41.5 | Very low | 157 Ų | 157 | 143.9 Ų | 143.9 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | cis | -177.8 | 161.6 | -26.4 | -159.3 | 170.9 | -174.7 | 0 | 0 | 102.9 | ||||
| 105 | E | 33.6 | Very low | 41.2 | Very low | 172 Ų | 172 | 147.1 Ų | 147.1 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -53.2 | 148.9 | -169.9 | -56.4 | 171.7 | 146.1 | 0 | 0 | 116.7 | ||||
| 106 | S | 36.2 | Very low | 41.5 | Very low | 104 Ų | 104 | 149.8 Ų | 149.8 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | 172.8 | 117.5 | 129.1 | 53.1 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 107 | I | 39.3 | Very low | 41 | Very low | 149 Ų | 149 | 155.5 Ų | 155.5 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | 77.2 | 113.8 | 102.9 | -61.4 | 165 | 0 | 0 | 0 | 114.9 | |||||
| 108 | H | 33.8 | Very low | 41.1 | Very low | 171 Ų | 171 | 155.6 Ų | 155.6 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | trans | 41.7 | 123.2 | 150.1 | -61.1 | -25 | 0 | 0 | 0 | 120.2 | ||||
| 109 | E | 37 | Very low | 40.9 | Very low | 167 Ų | 167 | 159 Ų | 159 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | -177.7 | 130.7 | 97.2 | -97 | -169.7 | 147.7 | 0 | 0 | 114.2 | |||||
| 110 | R | 34.9 | Very low | 40.9 | Very low | 213 Ų | 213 | 162.6 Ų | 162.6 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 6.1 | 123.2 | 149.4 | -68.2 | 166.6 | 172.2 | 155.8 | -2.5 | 118.3 | ||||
| 111 | T | 40.1 | Very low | 40.3 | Very low | 146 Ų | 146 | 164 Ų | 164 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | trans | -137.5 | 115.7 | 132.8 | 19.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 112 | V | 34 | Very low | 40.2 | Very low | 127 Ų | 127 | 167.1 Ų | 167.1 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | -72.9 | 125.7 | 174 | 172.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 113 | S | 45.3 | Very low | 40 | Very low | 118 Ų | 118 | 171.6 Ų | 171.6 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -133.6 | 112.9 | 155.5 | 59.2 | 0 | 0 | 0 | 0 | 111.4 | K115 | S113-K115 PolarHBondContact O-N 2.88Š| ||
| 114 | R | 37.6 | Very low | 39.8 | Very low | 236 Ų | 236 | 170.7 Ų | 170.7 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | trans | -58.6 | 123.1 | 179.7 | -71.3 | 166.4 | 161.7 | 163.1 | -6 | 111.2 | ||||
| 115 | K | 45.4 | Very low | 40.4 | Very low | 207 Ų | 207 | 171 Ų | 171 | 90% | 0.9 | 82% | 0.815 | S | S | * | * | trans | -141.2 | 97.4 | 151.6 | -103.1 | 176.4 | -174.9 | 173.5 | 0 | 112.4 | S113 | S113-K115 PolarHBondContact O-N 2.88Š| ||
| 116 | K | 46.5 | Very low | 40.8 | Very low | 204 Ų | 204 | 169.8 Ų | 169.8 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | trans | 53.2 | 97.5 | 139 | -140.8 | 167.1 | -175.1 | 175.3 | 0 | 118.1 | S118 | K116-S118 PolarHBondContact O-N 3.45Š| ||
| 117 | K | 35.6 | Very low | 41 | Very low | 212 Ų | 212 | 167.3 Ų | 167.3 | 92% | 0.922 | 81% | 0.805 | S | S | * | * | trans | -35.6 | 113.3 | 157.3 | -86.9 | 175 | 170.3 | 173.6 | 0 | 112 | ||||
| 118 | S | 48.3 | Very low | 41.5 | Very low | 96 Ų | 96 | 165.1 Ų | 165.1 | 67% | 0.671 | 81% | 0.809 | S | S | * | * | trans | -115.6 | 99.8 | 146.9 | -175.1 | 0 | 0 | 0 | 0 | 106.6 | K116 R120 | K116-S118 PolarHBondContact O-N 3.45Å; S118-R120 PolarHBondContact O-N 3.33Å | ||
| 119 | K | 42.3 | Very low | 42.8 | Very low | 206 Ų | 206 | 160.5 Ų | 160.5 | 90% | 0.896 | 81% | 0.808 | S | S | * | * | trans | -71.7 | 74.1 | 171.6 | -169.9 | -179.9 | -177.3 | -177.4 | 0 | 106.9 | H121 | K119-H121 PolarHBondContact O-N 2.78Š| ||
| 120 | R | 47.4 | Very low | 44.4 | Very low | 222 Ų | 222 | 156.1 Ų | 156.1 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | -73.2 | 117.5 | 160.8 | -81.1 | -172.6 | 176.9 | -175.2 | -1.2 | 105.8 | S118 K122 | S118-R120 PolarHBondContact O-N 3.33Å; R120-K122 PolarHBondContact O-N 3.1Å | ||
| 121 | H | 41.5 | Very low | 46.5 | Very low | 168 Ų | 168 | 153.5 Ų | 153.5 | 78% | 0.778 | 80% | 0.804 | S | S | * | * | trans | -34.6 | 110.9 | 166.6 | -127.8 | -94.7 | 0 | 0 | 0 | 108.7 | K119 E123 | K119-H121 PolarHBondContact O-N 2.78Å; H121-E123 PolarHBondContact O-N 2.79Å | ||
| 122 | K | 43.6 | Very low | 48.6 | Very low | 197 Ų | 197 | 153.9 Ų | 153.9 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | trans | -70.4 | 88 | 156.6 | -173 | 175.4 | -178.9 | -175.4 | 0 | 102.5 | R120 E124 | R120-K122 PolarHBondContact O-N 3.1Å; K122-E124 PolarHBondContact O-N 3.23Å | ||
| 123 | E | 41.3 | Very low | 51.2 | Low | 157 Ų | 157 | 154 Ų | 154 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -56 | 101.9 | 154.4 | -80.8 | 176.7 | 167.4 | 0 | 0 | 104 | H121 L125 | H121-E123 PolarHBondContact O-N 2.79Å; E123-L125 VanDerWaalsContact C-N 3.26Å; E123-L125 PolarHBondContact O-N 3.2Å | ||
| 124 | E | 35.9 | Very low | 53.3 | Low | 156 Ų | 156 | 152.3 Ų | 152.3 | 73% | 0.729 | 77% | 0.77 | S | S | * | * | trans | -48 | 103.8 | 154.8 | -152.7 | 159.6 | -143.2 | 0 | 0 | 104.4 | K122 D126 | K122-E124 PolarHBondContact O-N 3.23Å; E124-D126 HydrophobicContact CG-CB 4.19Å; E124-D126 PolarHBondContact O-N 3.28Å | ||
| 125 | L | 49.5 | Very low | 55.7 | Low | 162 Ų | 162 | 144.6 Ų | 144.6 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | trans | -70 | 60.5 | 168.2 | -91.2 | 159.9 | 0 | 0 | 0 | 107.3 | E123 G127 | E123-L125 VanDerWaalsContact C-N 3.26Å; E123-L125 PolarHBondContact O-N 3.2Å; L125-G127 PolarHBondContact O-N 2.82Å; L125-G127 VanDerWaalsContact O-N 3.11Å | ||
| 126 | D | 41.9 | Very low | 57.9 | Low | 147 Ų | 147 | 140.4 Ų | 140.4 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | trans | -84.2 | 51.1 | 168.6 | -120.1 | 16.7 | 0 | 0 | 0 | 107.7 | E124 | E124-D126 HydrophobicContact CG-CB 4.19Å; E124-D126 PolarHBondContact O-N 3.28Å | ||
| 127 | G | 39.7 | Very low | 60.1 | Low | 53 Ų | 53 | 134 Ų | 134 | 55% | 0.546 | 71% | 0.707 | S | S | . | * | S | Bend | trans | -149 | 82 | -160.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L125 | L125-G127 PolarHBondContact O-N 2.82Å; L125-G127 VanDerWaalsContact O-N 3.11Å |
| 128 | A | 50.4 | Low | 63 | Low | 103 Ų | 103 | 125.4 Ų | 125.4 | 85% | 0.851 | 67% | 0.669 | S | S | * | * | trans | 61.5 | 62.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | G130 | A128-G130 PolarHBondContact O-N 3.28Š| ||
| 129 | G | 61.5 | Low | 65.1 | Low | 73 Ų | 73 | 122 Ų | 122 | 75% | 0.753 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 124.4 | 152.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 130 | G | 69 | Low | 67.5 | Low | 75 Ų | 75 | 117 Ų | 117 | 77% | 0.773 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -60 | 146.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | A128 E132 | A128-G130 PolarHBondContact O-N 3.28Å; G130-E132 PolarHBondContact O-N 2.72Å |
| 131 | E | 79.8 | Confident | 69.8 | Low | 158 Ų | 158 | 110.4 Ų | 110.4 | 74% | 0.738 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 127.8 | 177.1 | -63.3 | -62.1 | 154.2 | 0 | 0 | 110.9 | Y133 | E131-Y133 HydrophobicContact CB-CE2 4.19Å; E131-Y133 PolarHBondContact O-N 2.92Å |
| 132 | E | 84.4 | Confident | 72.4 | Confident | 155 Ų | 155 | 102.7 Ų | 102.7 | 72% | 0.724 | 57% | 0.572 | S | S | * | * | trans | -82 | 99.1 | 173.2 | -172.3 | 169.6 | -171.9 | 0 | 0 | 109.7 | G130 N159 | G130-E132 PolarHBondContact O-N 2.72Å; E132-N159 WeakPolarHBondContact CG-ND2 3.49Å; E132-N159 PolarHBondContact OE1-ND2 3.31Å | ||
| 133 | Y | 87.8 | Confident | 74.7 | Confident | 128 Ų | 128 | 95.5 Ų | 95.5 | 50% | 0.502 | 55% | 0.546 | S | S | . | . | trans | -69.9 | 140.2 | 174 | -68 | -84.7 | 0 | 0 | 0 | 111.2 | E131 I137 W138 N159 | E131-Y133 HydrophobicContact CB-CE2 4.19Å; E131-Y133 PolarHBondContact O-N 2.92Å; Y133-I137 HydrophobicContact CD1-CG2 4.35Å; Y133-I137 HydrophobicContact CG-CG2 4.44Å; Y133-W138 PolarHBondContact O-NE1 2.95Å; Y133-N159 PolarHBondContact O-ND2 3Å | ||
| 134 | P | 90.1 | Very high | 77.2 | Confident | 84 Ų | 84 | 96.5 Ų | 96.5 | 55% | 0.545 | 55% | 0.545 | S | S | . | . | trans | -54.1 | 151.9 | 173.6 | -25.5 | 33.3 | 0 | 0 | 0 | 112.7 | D136 I137 | P134-D136 PolarHBondContact O-N 3.42Å; P134-D136 VanDerWaalsContact O-N 3.11Å; P134-I137 WeakPolarHBondContact O-CB 3.22Å; P134-I137 PolarHBondContact O-N 3.16Å | ||
| 135 | M | 88 | Confident | 80.1 | Confident | 73 Ų | 73 | 91 Ų | 91 | 36% | 0.36 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.3 | -30.7 | -178.3 | -164.7 | 173.3 | -63 | 0 | 0 | 113.1 | I137 W138 L139 T162 V163 | M135-I137 VanDerWaalsContact C-N 3.3Å; M135-I137 PolarHBondContact O-N 3.4Å; M135-W138 WeakPolarHBondContact O-CB 3.32Å; M135-W138 PolarHBondContact O-N 3.2Å; M135-W138 VanDerWaalsContact O-N 3.14Å; M135-L139 PolarHBondContact O-N 3.49Å; M135-T162 HydrophobicContact CE-CG2 3.74Å; M135-T162 HydrophobicContact SD-CG2 4.23Å; M135-V163 HydrophobicContact CG-CG2 3.83Å |
| 136 | D | 90.5 | Very high | 82.4 | Confident | 120 Ų | 120 | 89.5 Ų | 89.5 | 64% | 0.642 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.8 | -35.7 | 177.6 | -65.3 | -30.8 | 0 | 0 | 0 | 113 | P134 L139 L140 | P134-D136 PolarHBondContact O-N 3.42Å; P134-D136 VanDerWaalsContact O-N 3.11Å; D136-L139 PolarHBondContact O-N 2.93Å; D136-L140 WeakPolarHBondContact O-CB 3.45Å; D136-L140 PolarHBondContact O-N 2.67Å |
| 137 | I | 94 | Very high | 85 | Confident | 70 Ų | 70 | 83 Ų | 83 | 36% | 0.359 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 174.8 | -59 | -60.1 | 0 | 0 | 0 | 109.7 | Y133 P134 M135 L139 L140 L141 | Y133-I137 HydrophobicContact CD1-CG2 4.35Å; Y133-I137 HydrophobicContact CG-CG2 4.44Å; P134-I137 WeakPolarHBondContact O-CB 3.22Å; P134-I137 PolarHBondContact O-N 3.16Å; M135-I137 VanDerWaalsContact C-N 3.3Å; M135-I137 PolarHBondContact O-N 3.4Å; I137-L139 VanDerWaalsContact C-N 3.34Å; I137-L139 PolarHBondContact O-N 3.2Å; I137-L140 WeakPolarHBondContact O-CB 3.37Å; I137-L140 PolarHBondContact O-N 3.36Å; I137-L141 HydrophobicContact CG2-CD1 4.17Å; I137-L141 HydrophobicContact CG2-CG 4.46Å; I137-L141 VanDerWaalsContact O-CG 3.32Å; I137-L141 WeakPolarHBondContact O-CG 3.48Å; I137-L141 PolarHBondContact O-N 3.1Å |
| 138 | W | 95 | Very high | 87.7 | Confident | 31 Ų | 31 | 82.9 Ų | 82.9 | 12% | 0.117 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 176.5 | -65.3 | 101.8 | 0 | 0 | 0 | 112.2 | Y133 M135 L140 L141 A142 F153 I156 C157 N159 A160 V163 | Y133-W138 PolarHBondContact O-NE1 2.95Å; M135-W138 WeakPolarHBondContact O-CB 3.32Å; M135-W138 PolarHBondContact O-N 3.2Å; M135-W138 VanDerWaalsContact O-N 3.14Å; W138-L140 VanDerWaalsContact C-N 3.34Å; W138-L141 HydrophobicContact CE3-CD1 4.17Å; W138-L141 HydrophobicContact CZ3-CD1 4.36Å; W138-L141 PolarHBondContact O-N 2.87Å; W138-A142 VanDerWaalsContact O-CB 3.22Å; W138-A142 WeakPolarHBondContact O-CB 3.16Å; W138-A142 PolarHBondContact O-N 3.26Å; W138-F153 HydrophobicContact CE3-CE2 4.06Å; W138-F153 HydrophobicContact CE3-CZ 4.15Å; W138-F153 HydrophobicContact CZ3-CE2 4.46Å; W138-I156 HydrophobicContact CH2-CG2 3.69Å; W138-I156 HydrophobicContact CZ3-CB 4.42Å; W138-I156 HydrophobicContact CZ3-CD1 4.47Å; W138-I156 HydrophobicContact CZ3-CG2 3.85Å; W138-C157 VanDerWaalsContact CH2-SG 3.54Å; W138-C157 WeakPolarHBondContact CZ2-SG 3.32Å; W138-N159 VanDerWaalsContact CD1-CB 3.42Å; W138-N159 HydrophobicContact CD2-CB 4.39Å; W138-N159 HydrophobicContact CG-CB 3.97Å; W138-A160 HydrophobicContact CD2-CB 4.29Å; W138-A160 HydrophobicContact CE3-CB 3.66Å; W138-A160 HydrophobicContact CZ3-CB 3.88Å; W138-V163 HydrophobicContact CB-CB 4.48Å; W138-V163 HydrophobicContact CB-CG2 3.6Å |
| 139 | L | 92.4 | Very high | 89.9 | Confident | 25 Ų | 25 | 80 Ų | 80 | 13% | 0.131 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.5 | -36.8 | 173.4 | -82.2 | 166.8 | 0 | 0 | 0 | 112.5 | M135 D136 I137 V163 A168 | M135-L139 PolarHBondContact O-N 3.49Å; D136-L139 PolarHBondContact O-N 2.93Å; I137-L139 VanDerWaalsContact C-N 3.34Å; I137-L139 PolarHBondContact O-N 3.2Å; L139-V163 HydrophobicContact CD2-CG1 3.79Å; L139-V163 HydrophobicContact CD2-CG2 4.22Å; L139-V163 HydrophobicContact CG-CG1 4.23Å; L139-V163 HydrophobicContact CG-CG2 3.88Å; L139-A168 HydrophobicContact CD2-CB 4.45Å |
| 140 | L | 93.9 | Very high | 91.6 | Very high | 100 Ų | 100 | 77.6 Ų | 77.6 | 52% | 0.524 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68 | -49.5 | 174.9 | -178.4 | 65.3 | 0 | 0 | 0 | 110.7 | D136 I137 W138 A142 S143 Y144 | D136-L140 WeakPolarHBondContact O-CB 3.45Å; D136-L140 PolarHBondContact O-N 2.67Å; I137-L140 WeakPolarHBondContact O-CB 3.37Å; I137-L140 PolarHBondContact O-N 3.36Å; W138-L140 VanDerWaalsContact C-N 3.34Å; L140-A142 VanDerWaalsContact C-N 3.29Å; L140-A142 PolarHBondContact O-N 2.71Å; L140-S143 WeakPolarHBondContact O-CB 3.14Å; L140-S143 PolarHBondContact O-N 2.9Å; L140-S143 VanDerWaalsContact O-N 3.11Å; L140-S143 PolarHBondContact O-OG 2.8Å; L140-Y144 WeakPolarHBondContact O-CD2 3.17Å |
| 141 | L | 95.4 | Very high | 92.8 | Very high | 84 Ų | 84 | 78.6 Ų | 78.6 | 44% | 0.44 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.6 | -42.3 | 177.1 | -70.1 | 174.4 | 0 | 0 | 0 | 111.6 | I137 W138 S143 Y144 F153 | I137-L141 HydrophobicContact CG2-CD1 4.17Å; I137-L141 HydrophobicContact CG2-CG 4.46Å; I137-L141 VanDerWaalsContact O-CG 3.32Å; I137-L141 WeakPolarHBondContact O-CG 3.48Å; I137-L141 PolarHBondContact O-N 3.1Å; W138-L141 HydrophobicContact CE3-CD1 4.17Å; W138-L141 HydrophobicContact CZ3-CD1 4.36Å; W138-L141 PolarHBondContact O-N 2.87Å; L141-S143 PolarHBondContact O-N 3.22Å; L141-S143 VanDerWaalsContact O-N 3.1Å; L141-Y144 PolarHBondContact O-N 3.04Å; L141-F153 HydrophobicContact CB-CE2 4.26Å |
| 142 | A | 95.2 | Very high | 93.6 | Very high | 6 Ų | 6 | 75.9 Ų | 75.9 | 5% | 0.05 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.5 | -26.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | W138 L140 Y144 I145 F153 V163 F169 | W138-A142 VanDerWaalsContact O-CB 3.22Å; W138-A142 WeakPolarHBondContact O-CB 3.16Å; W138-A142 PolarHBondContact O-N 3.26Å; L140-A142 VanDerWaalsContact C-N 3.29Å; L140-A142 PolarHBondContact O-N 2.71Å; A142-Y144 PolarHBondContact O-N 3.41Å; A142-I145 PolarHBondContact O-N 3.44Å; A142-F153 HydrophobicContact CB-CE1 3.84Å; A142-F153 HydrophobicContact CB-CZ 3.75Å; A142-V163 HydrophobicContact CB-CG1 3.7Å; A142-F169 HydrophobicContact CB-CD2 3.78Å; A142-F169 HydrophobicContact CB-CE2 3.95Å |
| 143 | S | 92.7 | Very high | 94.2 | Very high | 46 Ų | 46 | 68.8 Ų | 68.8 | 32% | 0.322 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -16.5 | 177.7 | 76.3 | 0 | 0 | 0 | 0 | 114.1 | L140 L141 R176 | L140-S143 WeakPolarHBondContact O-CB 3.14Å; L140-S143 PolarHBondContact O-N 2.9Å; L140-S143 VanDerWaalsContact O-N 3.11Å; L140-S143 PolarHBondContact O-OG 2.8Å; L141-S143 PolarHBondContact O-N 3.22Å; L141-S143 VanDerWaalsContact O-N 3.1Å; S143-R176 WeakPolarHBondContact O-CD 3.28Å; S143-R176 PolarHBondContact O-NH1 2.7Å |
| 144 | Y | 94.9 | Very high | 94.6 | Very high | 178 Ų | 178 | 63.8 Ų | 63.8 | 70% | 0.698 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -10.5 | 178.7 | -62.6 | -82.8 | 0 | 0 | 0 | 113.4 | L140 L141 A142 R146 | L140-Y144 WeakPolarHBondContact O-CD2 3.17Å; L141-Y144 PolarHBondContact O-N 3.04Å; A142-Y144 PolarHBondContact O-N 3.41Å; Y144-R146 PolarHBondContact O-N 3.15Å |
| 145 | I | 96.3 | Very high | 94.8 | Very high | 40 Ų | 40 | 66.2 Ų | 66.2 | 21% | 0.205 | 33% | 0.333 | C | S | . | . | trans | -71.6 | 129.3 | -178.5 | -59.1 | -59.8 | 0 | 0 | 0 | 109.9 | A142 D149 I150 F153 R176 | A142-I145 PolarHBondContact O-N 3.44Å; I145-D149 HydrophobicContact CG2-CB 3.9Å; I145-I150 HydrophobicContact CG2-CG1 4.47Å; I145-F153 HydrophobicContact CD1-CB 4.2Å; I145-F153 HydrophobicContact CD1-CD2 3.61Å; I145-F153 HydrophobicContact CD1-CE2 4.3Å; I145-F153 HydrophobicContact CD1-CG 4.12Å; I145-F153 HydrophobicContact CG1-CB 4.09Å; I145-F153 HydrophobicContact CG1-CD1 4.45Å; I145-F153 HydrophobicContact CG1-CD2 3.55Å; I145-F153 HydrophobicContact CG1-CE2 4.06Å; I145-F153 HydrophobicContact CG1-CG 3.77Å; I145-F153 HydrophobicContact CG2-CB 3.87Å; I145-F153 HydrophobicContact CG2-CG 4.36Å; I145-R176 VanDerWaalsContact O-CZ 3.25Å; I145-R176 PolarHBondContact O-NH1 2.84Å; I145-R176 PolarHBondContact O-NH2 3.02Å | ||
| 146 | R | 96.7 | Very high | 95 | Very high | 131 Ų | 131 | 67.7 Ų | 67.7 | 49% | 0.494 | 34% | 0.342 | S | S | . | . | trans | -70.7 | 150.3 | 176.2 | -60.4 | -179.4 | -62 | 168.7 | 1.5 | 110.8 | Y144 E148 D149 I150 | Y144-R146 PolarHBondContact O-N 3.15Å; R146-E148 HydrophobicContact CB-CG 4.21Å; R146-E148 WeakPolarHBondContact CB-OE2 3.16Å; R146-E148 VanDerWaalsContact CD-OE1 3.32Å; R146-E148 WeakPolarHBondContact CD-OE1 3.42Å; R146-E148 IonicContact CZ-OE1 3.16Å; R146-E148 IonicContact NE-OE1 3.23Å; R146-E148 PolarHBondContact NE-OE1 2.97Å; R146-E148 IonicContact NH1-OE1 3.1Å; R146-E148 PolarHBondContact NH1-OE1 2.84Å; R146-E148 VanDerWaalsContact NH1-OE1 3.1Å; R146-E148 IonicContact NH2-OE1 3.43Å; R146-E148 PolarHBondContact O-N 3.22Å; R146-E148 VanDerWaalsContact O-N 3.13Å; R146-D149 IonicContact CZ-OD2 3.2Å; R146-D149 IonicContact NE-OD2 2.79Å; R146-D149 PolarHBondContact NE-OD2 3.22Å; R146-D149 IonicContact NH2-OD1 3.58Å; R146-D149 IonicContact NH2-OD2 2.72Å; R146-D149 PolarHBondContact NH2-OD2 3.38Å; R146-D149 PolarHBondContact O-N 3.42Å; R146-I150 PolarHBondContact O-N 3.33Å | ||
| 147 | P | 97.2 | Very high | 95.1 | Very high | 9 Ų | 9 | 64.2 Ų | 64.2 | 6% | 0.058 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -49.1 | -37.8 | 177.1 | -30.7 | 36.8 | 0 | 0 | 0 | 115.5 | D149 I150 L173 L207 Y211 F214 | P147-D149 VanDerWaalsContact C-N 3.28Å; P147-D149 PolarHBondContact O-N 3.02Å; P147-I150 WeakPolarHBondContact O-CD1 3.33Å; P147-I150 WeakPolarHBondContact O-CG1 3.18Å; P147-L173 HydrophobicContact CG-CD1 4.24Å; P147-L207 HydrophobicContact CB-CD1 4.14Å; P147-L207 HydrophobicContact CG-CD1 4.4Å; P147-L207 HydrophobicContact CG-CD2 4.09Å; P147-Y211 HydrophobicContact CB-CD1 3.88Å; P147-Y211 HydrophobicContact CB-CE1 3.72Å; P147-Y211 HydrophobicContact CG-CD1 3.7Å; P147-Y211 HydrophobicContact CG-CD2 4.2Å; P147-Y211 HydrophobicContact CG-CE1 3.59Å; P147-Y211 HydrophobicContact CG-CE2 4.11Å; P147-Y211 HydrophobicContact CG-CG 4.01Å; P147-F214 HydrophobicContact CB-CE1 4.27Å; P147-F214 HydrophobicContact CB-CE2 3.78Å; P147-F214 HydrophobicContact CB-CZ 3.51Å |
| 148 | E | 96.2 | Very high | 94.9 | Very high | 52 Ų | 52 | 67.2 Ų | 67.2 | 24% | 0.243 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -69.3 | -21.5 | 177 | 60.5 | -91 | -148.6 | 0 | 0 | 114.4 | R146 Y211 F214 | R146-E148 HydrophobicContact CB-CG 4.21Å; R146-E148 WeakPolarHBondContact CB-OE2 3.16Å; R146-E148 VanDerWaalsContact CD-OE1 3.32Å; R146-E148 WeakPolarHBondContact CD-OE1 3.42Å; R146-E148 IonicContact CZ-OE1 3.16Å; R146-E148 IonicContact NE-OE1 3.23Å; R146-E148 PolarHBondContact NE-OE1 2.97Å; R146-E148 IonicContact NH1-OE1 3.1Å; R146-E148 PolarHBondContact NH1-OE1 2.84Å; R146-E148 VanDerWaalsContact NH1-OE1 3.1Å; R146-E148 IonicContact NH2-OE1 3.43Å; R146-E148 PolarHBondContact O-N 3.22Å; R146-E148 VanDerWaalsContact O-N 3.13Å; E148-Y211 VanDerWaalsContact CD-OH 3.3Å; E148-Y211 PolarHBondContact OE1-OH 3.34Å; E148-Y211 WeakPolarHBondContact OE2-CE1 3.37Å; E148-Y211 VanDerWaalsContact OE2-CZ 3.3Å; E148-Y211 PolarHBondContact OE2-OH 3.5Å; E148-F214 HydrophobicContact CB-CE1 4.26Å |
| 149 | D | 97.3 | Very high | 94.8 | Very high | 43 Ų | 43 | 66.8 Ų | 66.8 | 23% | 0.23 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -99.5 | 0.8 | -173.7 | -66 | -43.7 | 0 | 0 | 0 | 112.9 | I145 R146 P147 V151 N152 F153 | I145-D149 HydrophobicContact CG2-CB 3.9Å; R146-D149 IonicContact CZ-OD2 3.2Å; R146-D149 IonicContact NE-OD2 2.79Å; R146-D149 PolarHBondContact NE-OD2 3.22Å; R146-D149 IonicContact NH2-OD1 3.58Å; R146-D149 IonicContact NH2-OD2 2.72Å; R146-D149 PolarHBondContact NH2-OD2 3.38Å; R146-D149 PolarHBondContact O-N 3.42Å; P147-D149 VanDerWaalsContact C-N 3.28Å; P147-D149 PolarHBondContact O-N 3.02Å; D149-V151 VanDerWaalsContact C-N 3.26Å; D149-V151 PolarHBondContact O-N 3.29Å; D149-N152 WeakPolarHBondContact O-CB 3.44Å; D149-N152 PolarHBondContact O-N 2.91Å; D149-N152 VanDerWaalsContact O-N 3.08Å; D149-F153 PolarHBondContact O-N 3.02Å |
| 150 | I | 96.9 | Very high | 94.9 | Very high | 22 Ų | 22 | 65.6 Ų | 65.6 | 11% | 0.113 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56.7 | -40.9 | -177.9 | -63.6 | 175.2 | 0 | 0 | 0 | 111.7 | I145 R146 P147 F153 S154 T164 F169 W170 L173 | I145-I150 HydrophobicContact CG2-CG1 4.47Å; R146-I150 PolarHBondContact O-N 3.33Å; P147-I150 WeakPolarHBondContact O-CD1 3.33Å; P147-I150 WeakPolarHBondContact O-CG1 3.18Å; I150-F153 PolarHBondContact O-N 3.31Å; I150-S154 WeakPolarHBondContact O-CB 3.36Å; I150-S154 PolarHBondContact O-N 2.84Å; I150-S154 PolarHBondContact O-OG 3.42Å; I150-T164 HydrophobicContact CG2-CG2 4.07Å; I150-F169 HydrophobicContact CD1-CE1 4.29Å; I150-F169 HydrophobicContact CD1-CZ 3.92Å; I150-F169 HydrophobicContact CG1-CZ 3.95Å; I150-F169 HydrophobicContact CG2-CE1 4.15Å; I150-F169 HydrophobicContact CG2-CZ 3.83Å; I150-W170 HydrophobicContact CD1-CH2 4.39Å; I150-W170 HydrophobicContact CD1-CZ3 4.33Å; I150-L173 HydrophobicContact CD1-CD2 3.5Å; I150-L173 VanDerWaalsContact CD1-CD2 3.5Å |
| 151 | V | 94.7 | Very high | 94.9 | Very high | 96 Ų | 96 | 63.3 Ų | 63.3 | 58% | 0.582 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64.7 | -47.4 | 177.9 | 177.5 | 0 | 0 | 0 | 0 | 110.1 | D149 F153 S154 L155 | D149-V151 VanDerWaalsContact C-N 3.26Å; D149-V151 PolarHBondContact O-N 3.29Å; V151-F153 VanDerWaalsContact C-N 3.31Å; V151-F153 PolarHBondContact O-N 3.16Å; V151-S154 PolarHBondContact O-N 3.24Å; V151-S154 PolarHBondContact O-OG 3.32Å; V151-L155 HydrophobicContact CG1-CD1 4Å; V151-L155 VanDerWaalsContact O-CG 3.29Å; V151-L155 WeakPolarHBondContact O-CG 3.46Å; V151-L155 PolarHBondContact O-N 3.49Å; V151-L155 VanDerWaalsContact O-N 3.14Å |
| 152 | N | 96.9 | Very high | 94.8 | Very high | 100 Ų | 100 | 60.2 Ų | 60.2 | 54% | 0.535 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 178.2 | -63.7 | -32.8 | 0 | 0 | 0 | 111.1 | D149 L155 | D149-N152 WeakPolarHBondContact O-CB 3.44Å; D149-N152 PolarHBondContact O-N 2.91Å; D149-N152 VanDerWaalsContact O-N 3.08Å; N152-L155 PolarHBondContact O-N 2.68Å |
| 153 | F | 97 | Very high | 94.8 | Very high | 7 Ų | 7 | 59.9 Ų | 59.9 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 175.4 | 175.5 | -101 | 0 | 0 | 0 | 112.2 | W138 L141 A142 I145 D149 I150 V151 L155 I156 A160 V163 T164 | W138-F153 HydrophobicContact CE3-CE2 4.06Å; W138-F153 HydrophobicContact CE3-CZ 4.15Å; W138-F153 HydrophobicContact CZ3-CE2 4.46Å; L141-F153 HydrophobicContact CB-CE2 4.26Å; A142-F153 HydrophobicContact CB-CE1 3.84Å; A142-F153 HydrophobicContact CB-CZ 3.75Å; I145-F153 HydrophobicContact CD1-CB 4.2Å; I145-F153 HydrophobicContact CD1-CD2 3.61Å; I145-F153 HydrophobicContact CD1-CE2 4.3Å; I145-F153 HydrophobicContact CD1-CG 4.12Å; I145-F153 HydrophobicContact CG1-CB 4.09Å; I145-F153 HydrophobicContact CG1-CD1 4.45Å; I145-F153 HydrophobicContact CG1-CD2 3.55Å; I145-F153 HydrophobicContact CG1-CE2 4.06Å; I145-F153 HydrophobicContact CG1-CG 3.77Å; I145-F153 HydrophobicContact CG2-CB 3.87Å; I145-F153 HydrophobicContact CG2-CG 4.36Å; D149-F153 PolarHBondContact O-N 3.02Å; I150-F153 PolarHBondContact O-N 3.31Å; V151-F153 VanDerWaalsContact C-N 3.31Å; V151-F153 PolarHBondContact O-N 3.16Å; F153-L155 PolarHBondContact O-N 2.84Å; F153-L155 VanDerWaalsContact O-N 3.15Å; F153-I156 HydrophobicContact CD2-CD1 3.88Å; F153-I156 WeakPolarHBondContact O-CB 3.48Å; F153-I156 WeakPolarHBondContact O-CG1 3.42Å; F153-I156 PolarHBondContact O-N 3.3Å; F153-I156 VanDerWaalsContact O-N 3.13Å; F153-A160 HydrophobicContact CD1-CB 4.42Å; F153-A160 HydrophobicContact CE1-CB 4.08Å; F153-A160 HydrophobicContact CE2-CB 4.35Å; F153-A160 HydrophobicContact CZ-CB 4.04Å; F153-A160 VanDerWaalsContact O-CB 3.23Å; F153-A160 WeakPolarHBondContact O-CB 3.34Å; F153-V163 HydrophobicContact CE1-CB 4.44Å; F153-V163 HydrophobicContact CE1-CG1 4.17Å; F153-T164 HydrophobicContact CD1-CG2 3.64Å; F153-T164 HydrophobicContact CE1-CG2 3.97Å |
| 154 | S | 95.1 | Very high | 95 | Very high | 23 Ų | 23 | 58.3 Ų | 58.3 | 16% | 0.161 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.3 | -22.6 | 178.7 | 73.1 | 0 | 0 | 0 | 0 | 113.4 | I150 V151 W161 | I150-S154 WeakPolarHBondContact O-CB 3.36Å; I150-S154 PolarHBondContact O-N 2.84Å; I150-S154 PolarHBondContact O-OG 3.42Å; V151-S154 PolarHBondContact O-N 3.24Å; V151-S154 PolarHBondContact O-OG 3.32Å; S154-W161 WeakPolarHBondContact O-CB 3.11Å |
| 155 | L | 94.2 | Very high | 95 | Very high | 135 Ų | 135 | 50 Ų | 50 | 71% | 0.707 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -3.2 | -179.2 | -68.7 | 172.3 | 0 | 0 | 0 | 113.5 | V151 N152 F153 | V151-L155 HydrophobicContact CG1-CD1 4Å; V151-L155 VanDerWaalsContact O-CG 3.29Å; V151-L155 WeakPolarHBondContact O-CG 3.46Å; V151-L155 PolarHBondContact O-N 3.49Å; V151-L155 VanDerWaalsContact O-N 3.14Å; N152-L155 PolarHBondContact O-N 2.68Å; F153-L155 PolarHBondContact O-N 2.84Å; F153-L155 VanDerWaalsContact O-N 3.15Å |
| 156 | I | 93.1 | Very high | 94.9 | Very high | 104 Ų | 104 | 48.5 Ų | 48.5 | 53% | 0.533 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -66.3 | -51.1 | -179.7 | -64.6 | 171 | 0 | 0 | 0 | 111 | W138 F153 A160 | W138-I156 HydrophobicContact CH2-CG2 3.69Å; W138-I156 HydrophobicContact CZ3-CB 4.42Å; W138-I156 HydrophobicContact CZ3-CD1 4.47Å; W138-I156 HydrophobicContact CZ3-CG2 3.85Å; F153-I156 HydrophobicContact CD2-CD1 3.88Å; F153-I156 WeakPolarHBondContact O-CB 3.48Å; F153-I156 WeakPolarHBondContact O-CG1 3.42Å; F153-I156 PolarHBondContact O-N 3.3Å; F153-I156 VanDerWaalsContact O-N 3.13Å; I156-A160 HydrophobicContact CB-CB 4.17Å |
| 157 | C | 91.5 | Very high | 94.9 | Very high | 47 Ų | 47 | 43.2 Ų | 43.2 | 32% | 0.318 | 23% | 0.23 | S | C | . | . | trans | -162.8 | 175.1 | -179.5 | 71.7 | 0 | 0 | 0 | 0 | 111.5 | W138 N159 A160 W161 | W138-C157 VanDerWaalsContact CH2-SG 3.54Å; W138-C157 WeakPolarHBondContact CZ2-SG 3.32Å; C157-N159 VanDerWaalsContact C-N 3.34Å; C157-N159 PolarHBondContact O-N 2.96Å; C157-A160 PolarHBondContact O-N 3.35Å; C157-A160 PolarHBondContact SG-N 3.32Å; C157-A160 VanDerWaalsContact SG-N 3.35Å; C157-W161 PolarHBondContact O-N 3.4Å | ||
| 158 | K | 90.7 | Very high | 94.7 | Very high | 133 Ų | 133 | 44.8 Ų | 44.8 | 58% | 0.578 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -56.5 | -44.5 | 177.3 | -172 | 178.4 | 178.6 | -178.3 | 0 | 112.1 | W161 T162 | K158-W161 WeakPolarHBondContact O-CB 3.49Å; K158-W161 PolarHBondContact O-N 3.49Å; K158-T162 WeakPolarHBondContact O-CB 3.5Å; K158-T162 PolarHBondContact O-N 2.65Å; K158-T162 PolarHBondContact O-OG1 3.5Å |
| 159 | N | 92.4 | Very high | 94.7 | Very high | 21 Ų | 21 | 42.8 Ų | 42.8 | 11% | 0.112 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.1 | -40.4 | -179.1 | -68.5 | -14.1 | 0 | 0 | 0 | 112.1 | E132 Y133 W138 C157 T162 V163 | E132-N159 WeakPolarHBondContact CG-ND2 3.49Å; E132-N159 PolarHBondContact OE1-ND2 3.31Å; Y133-N159 PolarHBondContact O-ND2 3Å; W138-N159 VanDerWaalsContact CD1-CB 3.42Å; W138-N159 HydrophobicContact CD2-CB 4.39Å; W138-N159 HydrophobicContact CG-CB 3.97Å; C157-N159 VanDerWaalsContact C-N 3.34Å; C157-N159 PolarHBondContact O-N 2.96Å; N159-T162 PolarHBondContact O-N 3.19Å; N159-V163 WeakPolarHBondContact O-CG2 3.4Å; N159-V163 PolarHBondContact O-N 3.42Å |
| 160 | A | 94.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.4 | -43.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | W138 F153 I156 C157 V163 T164 | W138-A160 HydrophobicContact CD2-CB 4.29Å; W138-A160 HydrophobicContact CE3-CB 3.66Å; W138-A160 HydrophobicContact CZ3-CB 3.88Å; F153-A160 HydrophobicContact CD1-CB 4.42Å; F153-A160 HydrophobicContact CE1-CB 4.08Å; F153-A160 HydrophobicContact CE2-CB 4.35Å; F153-A160 HydrophobicContact CZ-CB 4.04Å; F153-A160 VanDerWaalsContact O-CB 3.23Å; F153-A160 WeakPolarHBondContact O-CB 3.34Å; I156-A160 HydrophobicContact CB-CB 4.17Å; C157-A160 PolarHBondContact O-N 3.35Å; C157-A160 PolarHBondContact SG-N 3.32Å; C157-A160 VanDerWaalsContact SG-N 3.35Å; A160-V163 PolarHBondContact O-N 2.89Å; A160-T164 PolarHBondContact O-N 3.44Å |
| 161 | W | 94.3 | Very high | 94.7 | Very high | 53 Ų | 53 | 41.1 Ų | 41.1 | 20% | 0.201 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.9 | -51 | 172.9 | 175.4 | 77.5 | 0 | 0 | 0 | 111.7 | S154 C157 K158 V163 T164 C165 L275 Q276 P278 | S154-W161 WeakPolarHBondContact O-CB 3.11Å; C157-W161 PolarHBondContact O-N 3.4Å; K158-W161 WeakPolarHBondContact O-CB 3.49Å; K158-W161 PolarHBondContact O-N 3.49Å; W161-V163 VanDerWaalsContact C-N 3.28Å; W161-V163 PolarHBondContact O-N 3.13Å; W161-T164 PolarHBondContact O-N 2.87Å; W161-T164 PolarHBondContact O-OG1 3.02Å; W161-C165 PolarHBondContact O-N 3.08Å; W161-C165 PolarHBondContact O-SG 2.93Å; W161-L275 HydrophobicContact CZ2-CB 4.03Å; W161-Q276 WeakPolarHBondContact CH2-O 3.29Å; W161-Q276 WeakPolarHBondContact CZ2-O 3.45Å; W161-P278 HydrophobicContact CH2-CG 4.26Å; W161-P278 HydrophobicContact CZ3-CG 4.18Å |
| 162 | T | 93.7 | Very high | 94.7 | Very high | 18 Ų | 18 | 42.6 Ų | 42.6 | 11% | 0.11 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.5 | -40.1 | 178.6 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | M135 K158 N159 T164 C165 T166 | M135-T162 HydrophobicContact CE-CG2 3.74Å; M135-T162 HydrophobicContact SD-CG2 4.23Å; K158-T162 WeakPolarHBondContact O-CB 3.5Å; K158-T162 PolarHBondContact O-N 2.65Å; K158-T162 PolarHBondContact O-OG1 3.5Å; N159-T162 PolarHBondContact O-N 3.19Å; T162-T164 VanDerWaalsContact C-N 3.34Å; T162-T164 PolarHBondContact O-N 3.39Å; T162-C165 WeakPolarHBondContact O-CA 3.27Å; T162-C165 VanDerWaalsContact O-CB 3.29Å; T162-C165 WeakPolarHBondContact O-CB 3.47Å; T162-C165 PolarHBondContact O-N 3.25Å; T162-T166 WeakPolarHBondContact O-CG2 3.45Å; T162-T166 PolarHBondContact O-N 3.15Å |
| 163 | V | 95 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.8 | -45.5 | 174.5 | 164.4 | 0 | 0 | 0 | 0 | 111.6 | M135 W138 L139 A142 F153 N159 A160 W161 C165 T166 F169 | M135-V163 HydrophobicContact CG-CG2 3.83Å; W138-V163 HydrophobicContact CB-CB 4.48Å; W138-V163 HydrophobicContact CB-CG2 3.6Å; L139-V163 HydrophobicContact CD2-CG1 3.79Å; L139-V163 HydrophobicContact CD2-CG2 4.22Å; L139-V163 HydrophobicContact CG-CG1 4.23Å; L139-V163 HydrophobicContact CG-CG2 3.88Å; A142-V163 HydrophobicContact CB-CG1 3.7Å; F153-V163 HydrophobicContact CE1-CB 4.44Å; F153-V163 HydrophobicContact CE1-CG1 4.17Å; N159-V163 WeakPolarHBondContact O-CG2 3.4Å; N159-V163 PolarHBondContact O-N 3.42Å; A160-V163 PolarHBondContact O-N 2.89Å; W161-V163 VanDerWaalsContact C-N 3.28Å; W161-V163 PolarHBondContact O-N 3.13Å; V163-C165 PolarHBondContact O-N 3.13Å; V163-C165 VanDerWaalsContact O-N 3.15Å; V163-T166 PolarHBondContact O-N 3.23Å; V163-T166 PolarHBondContact O-OG1 2.96Å; V163-F169 HydrophobicContact CG1-CB 4.38Å; V163-F169 HydrophobicContact CG1-CD2 4.13Å; V163-F169 WeakPolarHBondContact O-CB 3.23Å |
| 164 | T | 95.9 | Very high | 94.7 | Very high | 13 Ų | 13 | 38.1 Ų | 38.1 | 8% | 0.08 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.2 | -14.1 | 176.3 | 68.3 | 0 | 0 | 0 | 0 | 113.9 | I150 F153 A160 W161 T162 F169 W170 | I150-T164 HydrophobicContact CG2-CG2 4.07Å; F153-T164 HydrophobicContact CD1-CG2 3.64Å; F153-T164 HydrophobicContact CE1-CG2 3.97Å; A160-T164 PolarHBondContact O-N 3.44Å; W161-T164 PolarHBondContact O-N 2.87Å; W161-T164 PolarHBondContact O-OG1 3.02Å; T162-T164 VanDerWaalsContact C-N 3.34Å; T162-T164 PolarHBondContact O-N 3.39Å; T164-F169 HydrophobicContact CG2-CE1 4.37Å; T164-F169 HydrophobicContact CG2-CE2 4.3Å; T164-F169 HydrophobicContact CG2-CZ 4.13Å; T164-W170 PolarHBondContact O-NE1 2.9Å |
| 165 | C | 95.2 | Very high | 94.7 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 3% | 0.027 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -81.9 | -21.5 | 172.9 | -62.6 | 0 | 0 | 0 | 0 | 113.4 | W161 T162 V163 P277 Y281 H285 | W161-C165 PolarHBondContact O-N 3.08Å; W161-C165 PolarHBondContact O-SG 2.93Å; T162-C165 WeakPolarHBondContact O-CA 3.27Å; T162-C165 VanDerWaalsContact O-CB 3.29Å; T162-C165 WeakPolarHBondContact O-CB 3.47Å; T162-C165 PolarHBondContact O-N 3.25Å; V163-C165 PolarHBondContact O-N 3.13Å; V163-C165 VanDerWaalsContact O-N 3.15Å; C165-P277 HydrophobicContact CB-CB 4.47Å; C165-Y281 HydrophobicContact CB-CD2 3.81Å; C165-Y281 HydrophobicContact CB-CE2 4.43Å; C165-Y281 HydrophobicContact CB-CG 4.43Å; C165-Y281 WeakPolarHBondContact O-CB 3.44Å; C165-H285 WeakPolarHBondContact CA-NE2 3.45Å; C165-H285 PolarHBondContact O-NE2 3.21Å |
| 166 | T | 94.9 | Very high | 94.7 | Very high | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.043 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -75.3 | 150.4 | -171.4 | 69.8 | 0 | 0 | 0 | 0 | 113.6 | T162 V163 A168 F169 Y281 | T162-T166 WeakPolarHBondContact O-CG2 3.45Å; T162-T166 PolarHBondContact O-N 3.15Å; V163-T166 PolarHBondContact O-N 3.23Å; V163-T166 PolarHBondContact O-OG1 2.96Å; T166-A168 VanDerWaalsContact C-N 3.31Å; T166-A168 PolarHBondContact O-N 3.28Å; T166-F169 PolarHBondContact O-N 3.11Å; T166-F169 WeakPolarHBondContact OG1-CB 3.46Å; T166-F169 PolarHBondContact OG1-N 2.98Å; T166-F169 VanDerWaalsContact OG1-N 3.11Å; T166-Y281 HydrophobicContact CG2-CE1 4.14Å; T166-Y281 HydrophobicContact CG2-CE2 4.01Å; T166-Y281 WeakPolarHBondContact CG2-OH 3.34Å |
| 167 | A | 95.6 | Very high | 94.8 | Very high | 21 Ų | 21 | 40.4 Ų | 40.4 | 17% | 0.174 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.9 | -41.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F169 W170 T171 L196 L199 V284 | A167-F169 VanDerWaalsContact C-N 3.27Å; A167-F169 PolarHBondContact O-N 2.83Å; A167-W170 PolarHBondContact O-N 2.77Å; A167-W170 VanDerWaalsContact O-N 3.1Å; A167-T171 WeakPolarHBondContact O-CB 3.17Å; A167-T171 PolarHBondContact O-N 2.91Å; A167-T171 PolarHBondContact O-OG1 2.89Å; A167-T171 VanDerWaalsContact O-OG1 3.09Å; A167-L196 HydrophobicContact CB-CD2 3.58Å; A167-L199 HydrophobicContact CB-CD2 3.84Å; A167-V284 HydrophobicContact CB-CG2 3.84Å |
| 168 | A | 94.5 | Very high | 94.9 | Very high | 42 Ų | 42 | 41.3 Ų | 41.3 | 35% | 0.347 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -54.9 | -42.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L139 T166 R172 | L139-A168 HydrophobicContact CD2-CB 4.45Å; T166-A168 VanDerWaalsContact C-N 3.31Å; T166-A168 PolarHBondContact O-N 3.28Å; A168-R172 VanDerWaalsContact O-CB 3.27Å; A168-R172 WeakPolarHBondContact O-CB 3.48Å; A168-R172 WeakPolarHBondContact O-CG 3.42Å; A168-R172 PolarHBondContact O-N 3.22Å |
| 169 | F | 96 | Very high | 94.9 | Very high | 9 Ų | 9 | 38.2 Ų | 38.2 | 4% | 0.039 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.9 | -53.6 | 174.6 | 170.2 | -97.3 | 0 | 0 | 0 | 112.1 | A142 I150 V163 T164 T166 A167 R172 L173 | A142-F169 HydrophobicContact CB-CD2 3.78Å; A142-F169 HydrophobicContact CB-CE2 3.95Å; I150-F169 HydrophobicContact CD1-CE1 4.29Å; I150-F169 HydrophobicContact CD1-CZ 3.92Å; I150-F169 HydrophobicContact CG1-CZ 3.95Å; I150-F169 HydrophobicContact CG2-CE1 4.15Å; I150-F169 HydrophobicContact CG2-CZ 3.83Å; V163-F169 HydrophobicContact CG1-CB 4.38Å; V163-F169 HydrophobicContact CG1-CD2 4.13Å; V163-F169 WeakPolarHBondContact O-CB 3.23Å; T164-F169 HydrophobicContact CG2-CE1 4.37Å; T164-F169 HydrophobicContact CG2-CE2 4.3Å; T164-F169 HydrophobicContact CG2-CZ 4.13Å; T166-F169 PolarHBondContact O-N 3.11Å; T166-F169 WeakPolarHBondContact OG1-CB 3.46Å; T166-F169 PolarHBondContact OG1-N 2.98Å; T166-F169 VanDerWaalsContact OG1-N 3.11Å; A167-F169 VanDerWaalsContact C-N 3.27Å; A167-F169 PolarHBondContact O-N 2.83Å; F169-R172 PolarHBondContact O-N 3.22Å; F169-L173 HydrophobicContact CE1-CD2 4.24Å; F169-L173 HydrophobicContact CZ-CD2 4.31Å; F169-L173 VanDerWaalsContact O-CB 3.29Å; F169-L173 WeakPolarHBondContact O-CB 3.49Å; F169-L173 PolarHBondContact O-N 3.34Å |
| 170 | W | 97 | Very high | 94.7 | Very high | 7 Ų | 7 | 45 Ų | 45 | 3% | 0.027 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.4 | -41.4 | -177 | -67.4 | 105.4 | 0 | 0 | 0 | 112.3 | I150 T164 A167 L173 Y174 L199 R200 V203 I204 V284 | I150-W170 HydrophobicContact CD1-CH2 4.39Å; I150-W170 HydrophobicContact CD1-CZ3 4.33Å; T164-W170 PolarHBondContact O-NE1 2.9Å; A167-W170 PolarHBondContact O-N 2.77Å; A167-W170 VanDerWaalsContact O-N 3.1Å; W170-L173 HydrophobicContact CE3-CD2 3.94Å; W170-L173 HydrophobicContact CZ3-CD2 3.91Å; W170-L173 PolarHBondContact O-N 3.31Å; W170-Y174 WeakPolarHBondContact O-CB 3.27Å; W170-Y174 PolarHBondContact O-N 2.93Å; W170-L199 HydrophobicContact CB-CD2 4.02Å; W170-L199 HydrophobicContact CB-CG 3.95Å; W170-R200 HydrophobicContact CD2-CB 3.97Å; W170-R200 HydrophobicContact CD2-CG 3.94Å; W170-R200 HydrophobicContact CE3-CB 4.49Å; W170-R200 HydrophobicContact CE3-CG 4.19Å; W170-R200 HydrophobicContact CG-CB 4.27Å; W170-R200 HydrophobicContact CH2-CG 3.76Å; W170-R200 HydrophobicContact CZ2-CB 4.29Å; W170-R200 HydrophobicContact CZ2-CG 3.48Å; W170-R200 VanDerWaalsContact CZ2-CG 3.48Å; W170-R200 HydrophobicContact CZ3-CG 4.1Å; W170-V203 HydrophobicContact CB-CG2 4.14Å; W170-V203 HydrophobicContact CE3-CB 4.02Å; W170-V203 HydrophobicContact CE3-CG1 3.89Å; W170-I204 HydrophobicContact CH2-CD1 4.21Å; W170-I204 HydrophobicContact CH2-CG1 4.28Å; W170-I204 HydrophobicContact CZ3-CD1 4.28Å; W170-I204 HydrophobicContact CZ3-CG1 3.87Å; W170-V284 HydrophobicContact CG-CG1 4.49Å |
| 171 | T | 95.8 | Very high | 94.4 | Very high | 24 Ų | 24 | 51.7 Ų | 51.7 | 15% | 0.147 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.7 | -43.7 | 176.2 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | A167 Y174 R175 | A167-T171 WeakPolarHBondContact O-CB 3.17Å; A167-T171 PolarHBondContact O-N 2.91Å; A167-T171 PolarHBondContact O-OG1 2.89Å; A167-T171 VanDerWaalsContact O-OG1 3.09Å; T171-Y174 PolarHBondContact O-N 3.49Å; T171-R175 VanDerWaalsContact CG2-CZ 3.47Å; T171-R175 WeakPolarHBondContact O-CG 3.28Å; T171-R175 PolarHBondContact O-N 2.84Å |
| 172 | R | 95.7 | Very high | 94.1 | Very high | 126 Ų | 126 | 50.2 Ų | 50.2 | 48% | 0.475 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.4 | -42.6 | 175.7 | -74.1 | 175 | -173.8 | 178.9 | 3.2 | 111.4 | A168 F169 Y174 R175 R176 | A168-R172 VanDerWaalsContact O-CB 3.27Å; A168-R172 WeakPolarHBondContact O-CB 3.48Å; A168-R172 WeakPolarHBondContact O-CG 3.42Å; A168-R172 PolarHBondContact O-N 3.22Å; F169-R172 PolarHBondContact O-N 3.22Å; R172-Y174 VanDerWaalsContact C-N 3.34Å; R172-Y174 PolarHBondContact O-N 3.06Å; R172-R175 PolarHBondContact O-N 3Å; R172-R176 WeakPolarHBondContact O-CB 3.34Å; R172-R176 PolarHBondContact O-N 3.29Å |
| 173 | L | 96.6 | Very high | 93.9 | Very high | 9 Ų | 9 | 54.6 Ų | 54.6 | 5% | 0.047 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 177 | 178.8 | 62.6 | 0 | 0 | 0 | 111.8 | P147 I150 F169 W170 H177 V203 L207 | P147-L173 HydrophobicContact CG-CD1 4.24Å; I150-L173 HydrophobicContact CD1-CD2 3.5Å; I150-L173 VanDerWaalsContact CD1-CD2 3.5Å; F169-L173 HydrophobicContact CE1-CD2 4.24Å; F169-L173 HydrophobicContact CZ-CD2 4.31Å; F169-L173 VanDerWaalsContact O-CB 3.29Å; F169-L173 WeakPolarHBondContact O-CB 3.49Å; F169-L173 PolarHBondContact O-N 3.34Å; W170-L173 HydrophobicContact CE3-CD2 3.94Å; W170-L173 HydrophobicContact CZ3-CD2 3.91Å; W170-L173 PolarHBondContact O-N 3.31Å; L173-H177 PolarHBondContact O-CD2 3.43Å; L173-V203 HydrophobicContact CD2-CG1 4.14Å; L173-V203 HydrophobicContact CG-CG1 4.28Å; L173-L207 HydrophobicContact CD2-CD1 4.07Å; L173-L207 HydrophobicContact CG-CD1 4.42Å |
| 174 | Y | 96.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.7 | -54.1 | 174.7 | 177.5 | -90.1 | 0 | 0 | 0 | 111.3 | W170 T171 R172 R176 H177 Y178 L188 R189 P190 M193 V203 M210 | W170-Y174 WeakPolarHBondContact O-CB 3.27Å; W170-Y174 PolarHBondContact O-N 2.93Å; T171-Y174 PolarHBondContact O-N 3.49Å; R172-Y174 VanDerWaalsContact C-N 3.34Å; R172-Y174 PolarHBondContact O-N 3.06Å; Y174-R176 VanDerWaalsContact C-N 3.26Å; Y174-R176 PolarHBondContact O-N 3.27Å; Y174-H177 PolarHBondContact O-N 3.2Å; Y174-H177 VanDerWaalsContact O-N 3.07Å; Y174-Y178 AromaticContact CE1-CD2 3.95Å; Y174-Y178 HydrophobicContact CE1-CD2 3.95Å; Y174-Y178 AromaticContact CE1-CG 3.93Å; Y174-Y178 HydrophobicContact CE1-CG 3.93Å; Y174-Y178 AromaticContact CZ-CD2 3.7Å; Y174-Y178 WeakPolarHBondContact O-CB 3.31Å; Y174-Y178 PolarHBondContact O-N 3.01Å; Y174-Y178 WeakPolarHBondContact OH-CD2 3.19Å; Y174-L188 WeakPolarHBondContact CE2-O 3.2Å; Y174-L188 PolarHBondContact OH-O 3.37Å; Y174-R189 VanDerWaalsContact OH-C 3.23Å; Y174-P190 HydrophobicContact CE1-CB 4.32Å; Y174-P190 HydrophobicContact CE1-CG 4.17Å; Y174-P190 WeakPolarHBondContact OH-CD 3.48Å; Y174-P190 VanDerWaalsContact OH-N 3.12Å; Y174-M193 HydrophobicContact CD1-CB 4.4Å; Y174-M193 HydrophobicContact CD1-CG 3.81Å; Y174-M193 HydrophobicContact CD2-CE 4.48Å; Y174-M193 HydrophobicContact CD2-CG 3.74Å; Y174-M193 HydrophobicContact CD2-SD 3.73Å; Y174-M193 HydrophobicContact CE1-CB 4.48Å; Y174-M193 HydrophobicContact CE1-CG 3.69Å; Y174-M193 HydrophobicContact CE2-CE 4.02Å; Y174-M193 HydrophobicContact CE2-CG 3.59Å; Y174-M193 HydrophobicContact CE2-SD 3.81Å; Y174-M193 HydrophobicContact CG-CG 3.84Å; Y174-M193 HydrophobicContact CG-SD 4.23Å; Y174-V203 HydrophobicContact CD2-CG2 4.33Å; Y174-V203 HydrophobicContact CG-CG2 4.49Å; Y174-M210 HydrophobicContact CD2-CE 4.31Å; Y174-M210 HydrophobicContact CE2-CE 4Å |
| 175 | R | 95.1 | Very high | 93.6 | Very high | 177 Ų | 177 | 56.7 Ų | 56.7 | 67% | 0.668 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -59.8 | -35.2 | -177.2 | -72.2 | 177 | -174.1 | 162.8 | 2.5 | 112.7 | T171 R172 H177 | T171-R175 VanDerWaalsContact CG2-CZ 3.47Å; T171-R175 WeakPolarHBondContact O-CG 3.28Å; T171-R175 PolarHBondContact O-N 2.84Å; R172-R175 PolarHBondContact O-N 3Å; R175-H177 VanDerWaalsContact C-N 3.26Å; R175-H177 PolarHBondContact O-N 3.09Å |
| 176 | R | 95.1 | Very high | 93.4 | Very high | 95 Ų | 95 | 62.3 Ų | 62.3 | 36% | 0.358 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.9 | -31.5 | 177.8 | -173.9 | 179.8 | 64.8 | 172.9 | -0.6 | 113.1 | S143 I145 R172 Y174 | S143-R176 WeakPolarHBondContact O-CD 3.28Å; S143-R176 PolarHBondContact O-NH1 2.7Å; I145-R176 VanDerWaalsContact O-CZ 3.25Å; I145-R176 PolarHBondContact O-NH1 2.84Å; I145-R176 PolarHBondContact O-NH2 3.02Å; R172-R176 WeakPolarHBondContact O-CB 3.34Å; R172-R176 PolarHBondContact O-N 3.29Å; Y174-R176 VanDerWaalsContact C-N 3.26Å; Y174-R176 PolarHBondContact O-N 3.27Å |
| 177 | H | 94.4 | Very high | 93.2 | Very high | 39 Ų | 39 | 66.2 Ų | 66.2 | 18% | 0.181 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -109.8 | -5.7 | -175.4 | -70.3 | -69.6 | 0 | 0 | 0 | 113.6 | L173 Y174 R175 L207 Y211 | L173-H177 PolarHBondContact O-CD2 3.43Å; Y174-H177 PolarHBondContact O-N 3.2Å; Y174-H177 VanDerWaalsContact O-N 3.07Å; R175-H177 VanDerWaalsContact C-N 3.26Å; R175-H177 PolarHBondContact O-N 3.09Å; H177-L207 HydrophobicContact CB-CD2 4.01Å; H177-Y211 AromaticContact CE1-CD2 3.45Å; H177-Y211 VanDerWaalsContact CE1-CD2 3.45Å; H177-Y211 WeakPolarHBondContact CE1-CD2 3.2Å; H177-Y211 AromaticContact CE1-CE2 3.55Å; H177-Y211 AromaticContact ND1-CD2 3.52Å |
| 178 | Y | 94.8 | Very high | 93.1 | Very high | 65 Ų | 65 | 65.2 Ų | 65.2 | 26% | 0.255 | 33% | 0.327 | S | S | . | . | trans | -75.5 | 130.6 | 177.7 | 178.1 | -100.2 | 0 | 0 | 0 | 110.7 | Y174 L180 L184 P190 M210 | Y174-Y178 AromaticContact CE1-CD2 3.95Å; Y174-Y178 HydrophobicContact CE1-CD2 3.95Å; Y174-Y178 AromaticContact CE1-CG 3.93Å; Y174-Y178 HydrophobicContact CE1-CG 3.93Å; Y174-Y178 AromaticContact CZ-CD2 3.7Å; Y174-Y178 WeakPolarHBondContact O-CB 3.31Å; Y174-Y178 PolarHBondContact O-N 3.01Å; Y174-Y178 WeakPolarHBondContact OH-CD2 3.19Å; Y178-L180 HydrophobicContact CE1-CD2 4.22Å; Y178-L184 HydrophobicContact CD2-CD1 3.95Å; Y178-L184 HydrophobicContact CE2-CD1 3.8Å; Y178-P190 HydrophobicContact CD1-CG 4.08Å; Y178-P190 HydrophobicContact CD2-CG 4.2Å; Y178-P190 HydrophobicContact CE1-CG 3.55Å; Y178-P190 HydrophobicContact CE2-CG 3.73Å; Y178-P190 HydrophobicContact CG-CG 4.38Å; Y178-M210 HydrophobicContact CD2-CE 4.18Å; Y178-M210 HydrophobicContact CD2-SD 3.62Å; Y178-M210 HydrophobicContact CE2-SD 4.39Å; Y178-M210 HydrophobicContact CG-SD 4.38Å | ||
| 179 | T | 90.5 | Very high | 93.1 | Very high | 68 Ų | 68 | 68.5 Ų | 68.5 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | trans | -120.9 | 145.8 | 172.3 | 65.6 | 0 | 0 | 0 | 0 | 109.4 | D181 A182 | T179-D181 WeakPolarHBondContact CB-OD1 3.32Å; T179-D181 PolarHBondContact O-N 2.87Å; T179-D181 PolarHBondContact OG1-OD1 3.22Å; T179-A182 WeakPolarHBondContact O-CB 3.49Å; T179-A182 PolarHBondContact O-N 3.34Å | ||
| 180 | L | 88.3 | Confident | 93 | Very high | 163 Ų | 163 | 70 Ų | 70 | 85% | 0.853 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -25.3 | -176.5 | -73.9 | 166.6 | 0 | 0 | 0 | 112.9 | Y178 A182 | Y178-L180 HydrophobicContact CE1-CD2 4.22Å; L180-A182 VanDerWaalsContact C-N 3.33Å |
| 181 | D | 88.4 | Confident | 92.7 | Very high | 141 Ų | 141 | 75.6 Ų | 75.6 | 75% | 0.754 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -2.7 | 176.9 | 64.5 | -28 | 0 | 0 | 0 | 113.5 | T179 S183 | T179-D181 WeakPolarHBondContact CB-OD1 3.32Å; T179-D181 PolarHBondContact O-N 2.87Å; T179-D181 PolarHBondContact OG1-OD1 3.22Å; D181-S183 PolarHBondContact O-N 2.92Å |
| 182 | A | 87.3 | Confident | 92.5 | Very high | 23 Ų | 23 | 75.9 Ų | 75.9 | 19% | 0.19 | 37% | 0.371 | C | S | . | . | trans | -65.8 | 118.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T179 L180 L184 M210 | T179-A182 WeakPolarHBondContact O-CB 3.49Å; T179-A182 PolarHBondContact O-N 3.34Å; L180-A182 VanDerWaalsContact C-N 3.33Å; A182-L184 VanDerWaalsContact C-N 3.35Å; A182-L184 HydrophobicContact CB-CG 4.13Å; A182-L184 PolarHBondContact O-N 3Å; A182-M210 HydrophobicContact CB-CG 3.67Å; A182-M210 HydrophobicContact CB-SD 3.53Å; A182-M210 VanDerWaalsContact CB-SD 3.53Å | ||
| 183 | S | 88.9 | Confident | 92.4 | Very high | 109 Ų | 109 | 70.3 Ų | 70.3 | 76% | 0.762 | 35% | 0.35 | S | S | * | . | trans | -74.9 | 83.8 | 174.9 | 65.2 | 0 | 0 | 0 | 0 | 111.2 | D181 | D181-S183 PolarHBondContact O-N 2.92Š| ||
| 184 | L | 92.1 | Very high | 92.1 | Very high | 13 Ų | 13 | 77.5 Ų | 77.5 | 7% | 0.068 | 38% | 0.383 | C | S | . | . | trans | -101.5 | 140.2 | 179.8 | -64.2 | -177.6 | 0 | 0 | 0 | 113 | Y178 A182 L188 R189 H209 M210 | Y178-L184 HydrophobicContact CD2-CD1 3.95Å; Y178-L184 HydrophobicContact CE2-CD1 3.8Å; A182-L184 VanDerWaalsContact C-N 3.35Å; A182-L184 HydrophobicContact CB-CG 4.13Å; A182-L184 PolarHBondContact O-N 3Å; L184-L188 HydrophobicContact CB-CB 4.21Å; L184-L188 HydrophobicContact CD1-CB 4.36Å; L184-L188 WeakPolarHBondContact CD1-O 3.3Å; L184-L188 HydrophobicContact CD2-CB 4.48Å; L184-R189 HydrophobicContact CB-CG 4.33Å; L184-H209 HydrophobicContact CD2-CB 3.36Å; L184-M210 HydrophobicContact CD1-CE 4.15Å; L184-M210 HydrophobicContact CD1-SD 3.65Å; L184-M210 HydrophobicContact CD2-CG 3.98Å; L184-M210 HydrophobicContact CD2-SD 4.08Å; L184-M210 HydrophobicContact CG-SD 4.14Å | ||
| 185 | P | 92.5 | Very high | 91.9 | Very high | 44 Ų | 44 | 84 Ų | 84 | 29% | 0.286 | 41% | 0.412 | S | S | . | . | trans | -52.9 | 148.3 | 163 | -23.4 | 33 | 0 | 0 | 0 | 111.3 | R187 L188 F372 | P185-R187 PolarHBondContact O-N 3.24Å; P185-L188 HydrophobicContact CG-CD1 4.38Å; P185-L188 PolarHBondContact O-N 3.3Å; P185-F372 HydrophobicContact CB-CE2 3.69Å; P185-F372 HydrophobicContact CB-CZ 4.1Å; P185-F372 HydrophobicContact CG-CE2 3.95Å; P185-F372 HydrophobicContact CG-CZ 4.27Å | ||
| 186 | L | 90.7 | Very high | 91.8 | Very high | 123 Ų | 123 | 80.1 Ų | 80.1 | 64% | 0.644 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -47.5 | -40.3 | -177.2 | -71.9 | 167.7 | 0 | 0 | 0 | 113.6 | L188 R189 S192 | L186-L188 PolarHBondContact O-N 3.05Å; L186-R189 VanDerWaalsContact CD2-CZ 3.49Å; L186-R189 PolarHBondContact O-N 2.96Å; L186-S192 PolarHBondContact O-OG 3.14Å |
| 187 | R | 90.9 | Very high | 91.7 | Very high | 88 Ų | 88 | 81.1 Ų | 81.1 | 33% | 0.332 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -73.3 | -8.9 | -178.8 | -62 | -172.2 | -178.6 | -161.8 | 3.2 | 115.1 | P185 S192 F372 S373 | P185-R187 PolarHBondContact O-N 3.24Å; R187-S192 WeakPolarHBondContact O-CB 3.35Å; R187-F372 HydrophobicContact CB-CD1 4.11Å; R187-F372 HydrophobicContact CB-CE1 4.08Å; R187-F372 HydrophobicContact CB-CG 4.48Å; R187-F372 HydrophobicContact CB-CZ 4.44Å; R187-S373 PolarHBondContact NH1-O 3.17Å |
| 188 | L | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -109.8 | 1.4 | 178.6 | -62.8 | -171.8 | 0 | 0 | 0 | 112.7 | Y174 L184 P185 L186 M193 C202 R205 F372 | Y174-L188 WeakPolarHBondContact CE2-O 3.2Å; Y174-L188 PolarHBondContact OH-O 3.37Å; L184-L188 HydrophobicContact CB-CB 4.21Å; L184-L188 HydrophobicContact CD1-CB 4.36Å; L184-L188 WeakPolarHBondContact CD1-O 3.3Å; L184-L188 HydrophobicContact CD2-CB 4.48Å; P185-L188 HydrophobicContact CG-CD1 4.38Å; P185-L188 PolarHBondContact O-N 3.3Å; L186-L188 PolarHBondContact O-N 3.05Å; L188-M193 HydrophobicContact CB-CE 4.47Å; L188-M193 HydrophobicContact CD2-CE 4.26Å; L188-C202 HydrophobicContact CD2-CB 4.1Å; L188-C202 WeakPolarHBondContact CD2-O 3.37Å; L188-R205 HydrophobicContact CD1-CB 4Å; L188-R205 HydrophobicContact CD2-CB 4.13Å; L188-F372 HydrophobicContact CD1-CE1 4.31Å; L188-F372 HydrophobicContact CD1-CZ 3.7Å; L188-F372 HydrophobicContact CD2-CE1 3.66Å; L188-F372 HydrophobicContact CD2-CZ 3.87Å; L188-F372 HydrophobicContact CG-CE1 3.85Å; L188-F372 HydrophobicContact CG-CZ 3.51Å |
| 189 | R | 94 | Very high | 91.6 | Very high | 112 Ų | 112 | 76.3 Ų | 76.3 | 42% | 0.423 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -73 | 162.2 | 176.8 | -63.8 | -174.3 | -179 | -179.4 | -2.3 | 111.5 | Y174 L184 L186 E191 S192 | Y174-R189 VanDerWaalsContact OH-C 3.23Å; L184-R189 HydrophobicContact CB-CG 4.33Å; L186-R189 VanDerWaalsContact CD2-CZ 3.49Å; L186-R189 PolarHBondContact O-N 2.96Å; R189-E191 WeakPolarHBondContact CB-OE2 3.46Å; R189-E191 PolarHBondContact O-N 2.89Å; R189-E191 VanDerWaalsContact O-N 3.14Å; R189-S192 WeakPolarHBondContact O-CB 3.32Å; R189-S192 PolarHBondContact O-N 3.41Å |
| 190 | P | 94.2 | Very high | 91.9 | Very high | 41 Ų | 41 | 76.6 Ų | 76.6 | 27% | 0.266 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -53.3 | -37.1 | -174.8 | -29.4 | 37.1 | 0 | 0 | 0 | 114 | Y174 Y178 S192 M193 | Y174-P190 HydrophobicContact CE1-CB 4.32Å; Y174-P190 HydrophobicContact CE1-CG 4.17Å; Y174-P190 WeakPolarHBondContact OH-CD 3.48Å; Y174-P190 VanDerWaalsContact OH-N 3.12Å; Y178-P190 HydrophobicContact CD1-CG 4.08Å; Y178-P190 HydrophobicContact CD2-CG 4.2Å; Y178-P190 HydrophobicContact CE1-CG 3.55Å; Y178-P190 HydrophobicContact CE2-CG 3.73Å; Y178-P190 HydrophobicContact CG-CG 4.38Å; P190-S192 PolarHBondContact O-N 2.9Å; P190-M193 WeakPolarHBondContact O-CB 3.4Å; P190-M193 PolarHBondContact O-N 3.27Å |
| 191 | E | 92.2 | Very high | 92.2 | Very high | 123 Ų | 123 | 69.1 Ų | 69.1 | 58% | 0.575 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -63.2 | -27.1 | -179.8 | -53.2 | 76.3 | -163.3 | 0 | 0 | 111.9 | R189 | R189-E191 WeakPolarHBondContact CB-OE2 3.46Å; R189-E191 PolarHBondContact O-N 2.89Å; R189-E191 VanDerWaalsContact O-N 3.14Å |
| 192 | S | 91.1 | Very high | 92.6 | Very high | 31 Ų | 31 | 63.3 Ų | 63.3 | 22% | 0.217 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -80.7 | -19 | 176.1 | -62.8 | 0 | 0 | 0 | 0 | 113 | L186 R187 R189 P190 E194 | L186-S192 PolarHBondContact O-OG 3.14Å; R187-S192 WeakPolarHBondContact O-CB 3.35Å; R189-S192 WeakPolarHBondContact O-CB 3.32Å; R189-S192 PolarHBondContact O-N 3.41Å; P190-S192 PolarHBondContact O-N 2.9Å; S192-E194 VanDerWaalsContact C-N 3.28Å; S192-E194 PolarHBondContact O-N 3.46Å |
| 193 | M | 93 | Very high | 93 | Very high | 9 Ų | 9 | 62.2 Ų | 62.2 | 4% | 0.044 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -82.3 | -5 | -179.2 | -58.5 | -61.9 | 128.9 | 0 | 0 | 113.5 | Y174 L188 P190 K195 L199 C202 V203 | Y174-M193 HydrophobicContact CD1-CB 4.4Å; Y174-M193 HydrophobicContact CD1-CG 3.81Å; Y174-M193 HydrophobicContact CD2-CE 4.48Å; Y174-M193 HydrophobicContact CD2-CG 3.74Å; Y174-M193 HydrophobicContact CD2-SD 3.73Å; Y174-M193 HydrophobicContact CE1-CB 4.48Å; Y174-M193 HydrophobicContact CE1-CG 3.69Å; Y174-M193 HydrophobicContact CE2-CE 4.02Å; Y174-M193 HydrophobicContact CE2-CG 3.59Å; Y174-M193 HydrophobicContact CE2-SD 3.81Å; Y174-M193 HydrophobicContact CG-CG 3.84Å; Y174-M193 HydrophobicContact CG-SD 4.23Å; L188-M193 HydrophobicContact CB-CE 4.47Å; L188-M193 HydrophobicContact CD2-CE 4.26Å; P190-M193 WeakPolarHBondContact O-CB 3.4Å; P190-M193 PolarHBondContact O-N 3.27Å; M193-K195 VanDerWaalsContact C-N 3.26Å; M193-L199 HydrophobicContact CB-CD1 4.27Å; M193-L199 WeakPolarHBondContact O-CD1 3.16Å; M193-L199 HydrophobicContact SD-CD1 4.15Å; M193-C202 HydrophobicContact CE-CB 3.68Å; M193-C202 HydrophobicContact SD-CB 4.01Å; M193-V203 HydrophobicContact SD-CG2 3.9Å |
| 194 | E | 90.8 | Very high | 93.3 | Very high | 159 Ų | 159 | 58.2 Ų | 58.2 | 74% | 0.743 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -75.7 | -20 | 173 | -61.3 | -178.2 | 172.7 | 0 | 0 | 111.9 | S192 | S192-E194 VanDerWaalsContact C-N 3.28Å; S192-E194 PolarHBondContact O-N 3.46Å |
| 195 | K | 91.8 | Very high | 93.5 | Very high | 142 Ų | 142 | 58 Ų | 58 | 62% | 0.617 | 27% | 0.272 | S | S | * | . | trans | -80 | 129.6 | 177.6 | -60.1 | 177.5 | -176.4 | 177 | 0 | 109.8 | M193 | M193-K195 VanDerWaalsContact C-N 3.26Š| ||
| 196 | L | 92.9 | Very high | 93.6 | Very high | 95 Ų | 95 | 55.9 Ų | 55.9 | 50% | 0.497 | 26% | 0.258 | S | S | . | . | trans | -67.2 | -41.4 | 175.5 | -64 | -179.3 | 0 | 0 | 0 | 111.6 | A167 C198 L199 D283 V284 | A167-L196 HydrophobicContact CB-CD2 3.58Å; L196-C198 PolarHBondContact O-N 3.37Å; L196-L199 WeakPolarHBondContact O-CB 3.25Å; L196-L199 PolarHBondContact O-N 3.38Å; L196-D283 HydrophobicContact CB-CB 4.14Å; L196-D283 CarbonylContact O-C 3.57Å; L196-V284 HydrophobicContact CD2-CG2 4.42Å; L196-V284 VanDerWaalsContact O-CA 3.28Å; L196-V284 WeakPolarHBondContact O-CA 3.48Å; L196-V284 PolarHBondContact O-N 3.01Å | ||
| 197 | R | 92.5 | Very high | 93.9 | Very high | 115 Ų | 115 | 50.2 Ų | 50.2 | 43% | 0.434 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 124.8 | -176.4 | -170.3 | 161.4 | 178.8 | -93.7 | -3 | 111.2 | L199 D283 R375 | R197-L199 PolarHBondContact O-N 2.96Å; R197-D283 CarbonylContact C-O 3.56Å; R197-D283 VanDerWaalsContact CA-O 3.28Å; R197-D283 WeakPolarHBondContact CA-O 3.35Å; R197-R375 PolarHBondContact NH1-O 2.96Å; R197-R375 PolarHBondContact NH2-O 2.81Å |
| 198 | C | 92.9 | Very high | 94 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.007 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 11.9 | -178.2 | -48.7 | 0 | 0 | 0 | 0 | 115.7 | L196 R200 A201 C202 D283 T286 A376 | L196-C198 PolarHBondContact O-N 3.37Å; C198-R200 VanDerWaalsContact C-N 3.32Å; C198-R200 PolarHBondContact O-N 3.41Å; C198-A201 WeakPolarHBondContact O-CB 3.24Å; C198-A201 PolarHBondContact O-N 3.37Å; C198-C202 PolarHBondContact O-N 3.17Å; C198-C202 PolarHBondContact O-SG 3.28Å; C198-D283 PolarHBondContact N-O 2.66Å; C198-T286 WeakPolarHBondContact CA-O 3.27Å; C198-T286 PolarHBondContact SG-O 2.73Å; C198-T286 VanDerWaalsContact SG-O 3.39Å; C198-A376 PolarHBondContact SG-OXT 3.16Å |
| 199 | L | 95.6 | Very high | 94 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -51.6 | -49.8 | -175.2 | 176.4 | 61.8 | 0 | 0 | 0 | 112 | A167 W170 M193 L196 R197 A201 C202 V203 V284 | A167-L199 HydrophobicContact CB-CD2 3.84Å; W170-L199 HydrophobicContact CB-CD2 4.02Å; W170-L199 HydrophobicContact CB-CG 3.95Å; M193-L199 HydrophobicContact CB-CD1 4.27Å; M193-L199 WeakPolarHBondContact O-CD1 3.16Å; M193-L199 HydrophobicContact SD-CD1 4.15Å; L196-L199 WeakPolarHBondContact O-CB 3.25Å; L196-L199 PolarHBondContact O-N 3.38Å; R197-L199 PolarHBondContact O-N 2.96Å; L199-A201 VanDerWaalsContact C-N 3.33Å; L199-A201 PolarHBondContact O-N 3.49Å; L199-C202 PolarHBondContact O-N 3.37Å; L199-V203 HydrophobicContact CD1-CG2 3.91Å; L199-V203 HydrophobicContact CG-CG2 4.38Å; L199-V203 VanDerWaalsContact O-CG2 3.32Å; L199-V203 WeakPolarHBondContact O-CG2 3.33Å; L199-V203 PolarHBondContact O-N 3.11Å; L199-V284 HydrophobicContact CB-CG1 4.31Å; L199-V284 HydrophobicContact CD2-CG1 4.41Å |
| 200 | R | 96 | Very high | 93.9 | Very high | 75 Ų | 75 | 46.5 Ų | 46.5 | 28% | 0.283 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56.4 | -47.1 | 178.2 | 173.1 | 172.3 | -179.9 | -84.5 | -1 | 112.1 | W170 C198 C202 V203 I204 V284 H285 | W170-R200 HydrophobicContact CD2-CB 3.97Å; W170-R200 HydrophobicContact CD2-CG 3.94Å; W170-R200 HydrophobicContact CE3-CB 4.49Å; W170-R200 HydrophobicContact CE3-CG 4.19Å; W170-R200 HydrophobicContact CG-CB 4.27Å; W170-R200 HydrophobicContact CH2-CG 3.76Å; W170-R200 HydrophobicContact CZ2-CB 4.29Å; W170-R200 HydrophobicContact CZ2-CG 3.48Å; W170-R200 VanDerWaalsContact CZ2-CG 3.48Å; W170-R200 HydrophobicContact CZ3-CG 4.1Å; C198-R200 VanDerWaalsContact C-N 3.32Å; C198-R200 PolarHBondContact O-N 3.41Å; R200-C202 VanDerWaalsContact C-N 3.34Å; R200-V203 PolarHBondContact O-N 3.18Å; R200-I204 HydrophobicContact CG-CD1 3.75Å; R200-I204 HydrophobicContact CG-CG1 4.5Å; R200-I204 WeakPolarHBondContact O-CB 3.27Å; R200-I204 VanDerWaalsContact O-CG1 3.25Å; R200-I204 WeakPolarHBondContact O-CG1 3.34Å; R200-I204 PolarHBondContact O-N 3.47Å; R200-V284 HydrophobicContact CB-CG1 4.41Å; R200-V284 WeakPolarHBondContact CB-O 3.44Å; R200-V284 PolarHBondContact N-O 2.91Å; R200-H285 VanDerWaalsContact CD-ND1 3.27Å; R200-H285 WeakPolarHBondContact CD-ND1 3.45Å |
| 201 | A | 95.2 | Very high | 94 | Very high | 5 Ų | 5 | 45.9 Ų | 45.9 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.1 | -41.8 | -179 | 0 | 0 | 0 | 0 | 0 | 111.4 | C198 L199 R205 N287 W365 | C198-A201 WeakPolarHBondContact O-CB 3.24Å; C198-A201 PolarHBondContact O-N 3.37Å; L199-A201 VanDerWaalsContact C-N 3.33Å; L199-A201 PolarHBondContact O-N 3.49Å; A201-R205 WeakPolarHBondContact O-CB 3.38Å; A201-R205 WeakPolarHBondContact O-CG 3.3Å; A201-R205 PolarHBondContact O-N 3.1Å; A201-N287 HydrophobicContact CB-CB 4.11Å; A201-W365 HydrophobicContact CB-CH2 4.17Å; A201-W365 HydrophobicContact CB-CZ3 3.72Å |
| 202 | C | 95.3 | Very high | 94 | Very high | 19 Ų | 19 | 46.2 Ų | 46.2 | 13% | 0.128 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.9 | -44.7 | 176.3 | -70.7 | 0 | 0 | 0 | 0 | 112 | L188 M193 C198 L199 R200 R205 S206 | L188-C202 HydrophobicContact CD2-CB 4.1Å; L188-C202 WeakPolarHBondContact CD2-O 3.37Å; M193-C202 HydrophobicContact CE-CB 3.68Å; M193-C202 HydrophobicContact SD-CB 4.01Å; C198-C202 PolarHBondContact O-N 3.17Å; C198-C202 PolarHBondContact O-SG 3.28Å; L199-C202 PolarHBondContact O-N 3.37Å; R200-C202 VanDerWaalsContact C-N 3.34Å; C202-R205 PolarHBondContact O-N 3.14Å; C202-S206 WeakPolarHBondContact O-CB 3.26Å; C202-S206 PolarHBondContact O-N 3Å; C202-S206 PolarHBondContact O-OG 2.69Å |
| 203 | V | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.9 | -46.1 | 177 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | W170 L173 Y174 M193 L199 R200 R205 S206 L207 | W170-V203 HydrophobicContact CB-CG2 4.14Å; W170-V203 HydrophobicContact CE3-CB 4.02Å; W170-V203 HydrophobicContact CE3-CG1 3.89Å; L173-V203 HydrophobicContact CD2-CG1 4.14Å; L173-V203 HydrophobicContact CG-CG1 4.28Å; Y174-V203 HydrophobicContact CD2-CG2 4.33Å; Y174-V203 HydrophobicContact CG-CG2 4.49Å; M193-V203 HydrophobicContact SD-CG2 3.9Å; L199-V203 HydrophobicContact CD1-CG2 3.91Å; L199-V203 HydrophobicContact CG-CG2 4.38Å; L199-V203 VanDerWaalsContact O-CG2 3.32Å; L199-V203 WeakPolarHBondContact O-CG2 3.33Å; L199-V203 PolarHBondContact O-N 3.11Å; R200-V203 PolarHBondContact O-N 3.18Å; V203-R205 VanDerWaalsContact C-N 3.32Å; V203-R205 PolarHBondContact O-N 3.17Å; V203-S206 WeakPolarHBondContact O-CB 3.17Å; V203-S206 PolarHBondContact O-N 3.39Å; V203-S206 VanDerWaalsContact O-N 3.14Å; V203-L207 HydrophobicContact CG1-CD1 4.24Å; V203-L207 HydrophobicContact CG1-CG 4.47Å; V203-L207 WeakPolarHBondContact O-CG 3.29Å; V203-L207 PolarHBondContact O-N 3.26Å |
| 204 | I | 96 | Very high | 94.2 | Very high | 25 Ų | 25 | 46.9 Ų | 46.9 | 13% | 0.128 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.3 | -48.1 | 176.4 | -70.7 | 167.8 | 0 | 0 | 0 | 110.7 | W170 R200 S206 L207 Y208 W365 W366 | W170-I204 HydrophobicContact CH2-CD1 4.21Å; W170-I204 HydrophobicContact CH2-CG1 4.28Å; W170-I204 HydrophobicContact CZ3-CD1 4.28Å; W170-I204 HydrophobicContact CZ3-CG1 3.87Å; R200-I204 HydrophobicContact CG-CD1 3.75Å; R200-I204 HydrophobicContact CG-CG1 4.5Å; R200-I204 WeakPolarHBondContact O-CB 3.27Å; R200-I204 VanDerWaalsContact O-CG1 3.25Å; R200-I204 WeakPolarHBondContact O-CG1 3.34Å; R200-I204 PolarHBondContact O-N 3.47Å; I204-S206 VanDerWaalsContact C-N 3.34Å; I204-S206 PolarHBondContact O-N 3.49Å; I204-L207 PolarHBondContact O-N 3.5Å; I204-Y208 HydrophobicContact CG2-CE2 4.16Å; I204-Y208 VanDerWaalsContact O-CD2 3.27Å; I204-Y208 WeakPolarHBondContact O-CD2 3.39Å; I204-W365 HydrophobicContact CB-CH2 4.17Å; I204-W365 HydrophobicContact CD1-CH2 4.02Å; I204-W365 HydrophobicContact CG2-CH2 3.96Å; I204-W365 HydrophobicContact CG2-CZ3 4.49Å; I204-W366 HydrophobicContact CG2-CB 3.81Å |
| 205 | R | 95.1 | Very high | 94.3 | Very high | 9 Ų | 9 | 41 Ų | 41 | 3% | 0.034 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.7 | -43 | 177.1 | -74.9 | 175.8 | 63 | 102.2 | 5.7 | 112.1 | L188 A201 C202 V203 L207 Y208 H209 W365 W366 Y370 F372 | L188-R205 HydrophobicContact CD1-CB 4Å; L188-R205 HydrophobicContact CD2-CB 4.13Å; A201-R205 WeakPolarHBondContact O-CB 3.38Å; A201-R205 WeakPolarHBondContact O-CG 3.3Å; A201-R205 PolarHBondContact O-N 3.1Å; C202-R205 PolarHBondContact O-N 3.14Å; V203-R205 VanDerWaalsContact C-N 3.32Å; V203-R205 PolarHBondContact O-N 3.17Å; R205-L207 VanDerWaalsContact C-N 3.31Å; R205-L207 PolarHBondContact O-N 2.72Å; R205-Y208 PolarHBondContact O-N 3.2Å; R205-Y208 VanDerWaalsContact O-N 3.17Å; R205-H209 PolarHBondContact O-CD2 2.9Å; R205-W365 HydrophobicContact CG-CE3 4.45Å; R205-W365 HydrophobicContact CG-CZ3 4.21Å; R205-W365 PolarHBondContact NH1-O 2.87Å; R205-W366 HydrophobicContact CG-CB 4.42Å; R205-Y370 PolarHBondContact NH1-O 3.2Å; R205-Y370 PolarHBondContact NH2-O 2.98Å; R205-F372 VanDerWaalsContact NE-CE1 3.26Å |
| 206 | S | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.4 | -37.6 | 179.3 | -53.7 | 0 | 0 | 0 | 0 | 112.2 | C202 V203 I204 Y208 H209 M210 | C202-S206 WeakPolarHBondContact O-CB 3.26Å; C202-S206 PolarHBondContact O-N 3Å; C202-S206 PolarHBondContact O-OG 2.69Å; V203-S206 WeakPolarHBondContact O-CB 3.17Å; V203-S206 PolarHBondContact O-N 3.39Å; V203-S206 VanDerWaalsContact O-N 3.14Å; I204-S206 VanDerWaalsContact C-N 3.34Å; I204-S206 PolarHBondContact O-N 3.49Å; S206-Y208 VanDerWaalsContact C-N 3.25Å; S206-Y208 PolarHBondContact O-N 3.49Å; S206-H209 WeakPolarHBondContact O-CB 3.47Å; S206-H209 PolarHBondContact O-N 3.07Å; S206-M210 PolarHBondContact O-N 2.72Å; S206-M210 VanDerWaalsContact O-N 3.16Å |
| 207 | L | 95.9 | Very high | 94.1 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.2 | -33.2 | 176.4 | -69.3 | 166.4 | 0 | 0 | 0 | 112.2 | P147 L173 H177 V203 I204 R205 H209 M210 Y211 F214 | P147-L207 HydrophobicContact CB-CD1 4.14Å; P147-L207 HydrophobicContact CG-CD1 4.4Å; P147-L207 HydrophobicContact CG-CD2 4.09Å; L173-L207 HydrophobicContact CD2-CD1 4.07Å; L173-L207 HydrophobicContact CG-CD1 4.42Å; H177-L207 HydrophobicContact CB-CD2 4.01Å; V203-L207 HydrophobicContact CG1-CD1 4.24Å; V203-L207 HydrophobicContact CG1-CG 4.47Å; V203-L207 WeakPolarHBondContact O-CG 3.29Å; V203-L207 PolarHBondContact O-N 3.26Å; I204-L207 PolarHBondContact O-N 3.5Å; R205-L207 VanDerWaalsContact C-N 3.31Å; R205-L207 PolarHBondContact O-N 2.72Å; L207-H209 PolarHBondContact O-N 2.92Å; L207-M210 PolarHBondContact O-N 2.7Å; L207-Y211 WeakPolarHBondContact O-CA 3.22Å; L207-Y211 VanDerWaalsContact O-CB 3.27Å; L207-Y211 WeakPolarHBondContact O-CB 3.23Å; L207-Y211 PolarHBondContact O-N 3.39Å; L207-F214 HydrophobicContact CB-CD2 3.78Å; L207-F214 HydrophobicContact CB-CE2 4.08Å; L207-F214 HydrophobicContact CD1-CE2 4.28Å |
| 208 | Y | 94.3 | Very high | 93.9 | Very high | 31 Ų | 31 | 33.7 Ų | 33.7 | 12% | 0.122 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -71.3 | -9.3 | 174.6 | -77.2 | -81 | 0 | 0 | 0 | 114.3 | I204 R205 S206 F214 I218 W366 | I204-Y208 HydrophobicContact CG2-CE2 4.16Å; I204-Y208 VanDerWaalsContact O-CD2 3.27Å; I204-Y208 WeakPolarHBondContact O-CD2 3.39Å; R205-Y208 PolarHBondContact O-N 3.2Å; R205-Y208 VanDerWaalsContact O-N 3.17Å; S206-Y208 VanDerWaalsContact C-N 3.25Å; S206-Y208 PolarHBondContact O-N 3.49Å; Y208-F214 HydrophobicContact CD1-CB 3.63Å; Y208-F214 HydrophobicContact CD1-CD2 4.41Å; Y208-F214 HydrophobicContact CD1-CG 4.29Å; Y208-F214 HydrophobicContact CD2-CD2 4.26Å; Y208-F214 HydrophobicContact CE1-CB 3.84Å; Y208-F214 HydrophobicContact CE1-CD2 4.27Å; Y208-F214 HydrophobicContact CE1-CG 4.1Å; Y208-F214 HydrophobicContact CE2-CD2 4.08Å; Y208-F214 HydrophobicContact CG-CB 4.17Å; Y208-F214 HydrophobicContact CG-CD2 4.42Å; Y208-I218 HydrophobicContact CD1-CD1 3.35Å; Y208-I218 HydrophobicContact CD1-CG1 4.05Å; Y208-I218 HydrophobicContact CE1-CD1 4.24Å; Y208-I218 HydrophobicContact CG-CD1 3.98Å; Y208-W366 AromaticContact CD1-CE3 3.84Å; Y208-W366 HydrophobicContact CD1-CE3 3.84Å; Y208-W366 AromaticContact CD1-CZ3 3.67Å; Y208-W366 HydrophobicContact CD1-CZ3 3.67Å; Y208-W366 HydrophobicContact CD2-CB 4.37Å; Y208-W366 HydrophobicContact CD2-CD2 4.25Å; Y208-W366 AromaticContact CD2-CE3 3.54Å; Y208-W366 HydrophobicContact CD2-CE3 3.54Å; Y208-W366 HydrophobicContact CD2-CZ3 4.24Å; Y208-W366 HydrophobicContact CE1-CD2 4.45Å; Y208-W366 AromaticContact CE1-CE3 3.49Å; Y208-W366 HydrophobicContact CE1-CE3 3.49Å; Y208-W366 VanDerWaalsContact CE1-CE3 3.49Å; Y208-W366 AromaticContact CE1-CH2 3.91Å; Y208-W366 HydrophobicContact CE1-CH2 3.91Å; Y208-W366 AromaticContact CE1-CZ3 3.17Å; Y208-W366 HydrophobicContact CE1-CZ3 3.17Å; Y208-W366 HydrophobicContact CE2-CB 4.14Å; Y208-W366 AromaticContact CE2-CD2 3.61Å; Y208-W366 HydrophobicContact CE2-CD2 3.61Å; Y208-W366 AromaticContact CE2-CE3 3.19Å; Y208-W366 HydrophobicContact CE2-CE3 3.19Å; Y208-W366 HydrophobicContact CE2-CG 4.03Å; Y208-W366 AromaticContact CE2-CZ3 3.84Å; Y208-W366 HydrophobicContact CE2-CZ3 3.84Å; Y208-W366 AromaticContact CG-CE3 3.85Å; Y208-W366 HydrophobicContact CG-CE3 3.85Å; Y208-W366 HydrophobicContact CG-CZ3 4.17Å; Y208-W366 AromaticContact CZ-CD2 3.71Å; Y208-W366 AromaticContact CZ-CE3 3.15Å; Y208-W366 AromaticContact CZ-CH2 3.89Å; Y208-W366 AromaticContact CZ-CZ3 3.26Å |
| 209 | H | 93.1 | Very high | 93.4 | Very high | 57 Ų | 57 | 38.3 Ų | 38.3 | 26% | 0.264 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -94.8 | -34.2 | 169.7 | -71.8 | -92.6 | 0 | 0 | 0 | 112.9 | L184 R205 S206 L207 | L184-H209 HydrophobicContact CD2-CB 3.36Å; R205-H209 PolarHBondContact O-CD2 2.9Å; S206-H209 WeakPolarHBondContact O-CB 3.47Å; S206-H209 PolarHBondContact O-N 3.07Å; L207-H209 PolarHBondContact O-N 2.92Å |
| 210 | M | 93.4 | Very high | 92.7 | Very high | 34 Ų | 34 | 46.1 Ų | 46.1 | 17% | 0.167 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -115.1 | -28 | -165.6 | -56.2 | -176.5 | -63.9 | 0 | 0 | 114.4 | Y174 Y178 A182 L184 S206 L207 E212 | Y174-M210 HydrophobicContact CD2-CE 4.31Å; Y174-M210 HydrophobicContact CE2-CE 4Å; Y178-M210 HydrophobicContact CD2-CE 4.18Å; Y178-M210 HydrophobicContact CD2-SD 3.62Å; Y178-M210 HydrophobicContact CE2-SD 4.39Å; Y178-M210 HydrophobicContact CG-SD 4.38Å; A182-M210 HydrophobicContact CB-CG 3.67Å; A182-M210 HydrophobicContact CB-SD 3.53Å; A182-M210 VanDerWaalsContact CB-SD 3.53Å; L184-M210 HydrophobicContact CD1-CE 4.15Å; L184-M210 HydrophobicContact CD1-SD 3.65Å; L184-M210 HydrophobicContact CD2-CG 3.98Å; L184-M210 HydrophobicContact CD2-SD 4.08Å; L184-M210 HydrophobicContact CG-SD 4.14Å; S206-M210 PolarHBondContact O-N 2.72Å; S206-M210 VanDerWaalsContact O-N 3.16Å; L207-M210 PolarHBondContact O-N 2.7Å; M210-E212 PolarHBondContact O-N 3.35Å |
| 211 | Y | 94.6 | Very high | 91.9 | Very high | 28 Ų | 28 | 47.4 Ų | 47.4 | 11% | 0.11 | 24% | 0.242 | C | C | . | . | trans | -91.3 | 109.5 | -177.2 | -175.4 | -122.3 | 0 | 0 | 0 | 110.1 | P147 E148 H177 L207 P213 F214 A215 | P147-Y211 HydrophobicContact CB-CD1 3.88Å; P147-Y211 HydrophobicContact CB-CE1 3.72Å; P147-Y211 HydrophobicContact CG-CD1 3.7Å; P147-Y211 HydrophobicContact CG-CD2 4.2Å; P147-Y211 HydrophobicContact CG-CE1 3.59Å; P147-Y211 HydrophobicContact CG-CE2 4.11Å; P147-Y211 HydrophobicContact CG-CG 4.01Å; E148-Y211 VanDerWaalsContact CD-OH 3.3Å; E148-Y211 PolarHBondContact OE1-OH 3.34Å; E148-Y211 WeakPolarHBondContact OE2-CE1 3.37Å; E148-Y211 VanDerWaalsContact OE2-CZ 3.3Å; E148-Y211 PolarHBondContact OE2-OH 3.5Å; H177-Y211 AromaticContact CE1-CD2 3.45Å; H177-Y211 VanDerWaalsContact CE1-CD2 3.45Å; H177-Y211 WeakPolarHBondContact CE1-CD2 3.2Å; H177-Y211 AromaticContact CE1-CE2 3.55Å; H177-Y211 AromaticContact ND1-CD2 3.52Å; L207-Y211 WeakPolarHBondContact O-CA 3.22Å; L207-Y211 VanDerWaalsContact O-CB 3.27Å; L207-Y211 WeakPolarHBondContact O-CB 3.23Å; L207-Y211 PolarHBondContact O-N 3.39Å; Y211-P213 HydrophobicContact CD1-CB 4.25Å; Y211-P213 HydrophobicContact CD1-CG 4.26Å; Y211-P213 HydrophobicContact CE1-CB 3.75Å; Y211-P213 HydrophobicContact CE1-CG 3.66Å; Y211-P213 HydrophobicContact CE2-CG 4.01Å; Y211-F214 HydrophobicContact CD1-CB 4.21Å; Y211-F214 AromaticContact CD1-CD1 3.73Å; Y211-F214 HydrophobicContact CD1-CD1 3.73Å; Y211-F214 HydrophobicContact CD1-CD2 4.02Å; Y211-F214 HydrophobicContact CD1-CE1 4.03Å; Y211-F214 HydrophobicContact CD1-CE2 4.3Å; Y211-F214 AromaticContact CD1-CG 3.73Å; Y211-F214 HydrophobicContact CD1-CG 3.73Å; Y211-F214 HydrophobicContact CD1-CZ 4.31Å; Y211-F214 AromaticContact CE1-CD1 3.98Å; Y211-F214 HydrophobicContact CE1-CD1 3.98Å; Y211-F214 AromaticContact CE1-CE1 3.97Å; Y211-F214 HydrophobicContact CE1-CE1 3.97Å; Y211-F214 HydrophobicContact CE1-CG 4.44Å; Y211-F214 HydrophobicContact CE1-CZ 4.41Å; Y211-F214 WeakPolarHBondContact O-CB 3.31Å; Y211-F214 PolarHBondContact O-N 3.15Å; Y211-A215 PolarHBondContact O-N 2.86Å | ||
| 212 | E | 93.2 | Very high | 91.4 | Very high | 131 Ų | 131 | 50.5 Ų | 50.5 | 61% | 0.612 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -48.5 | -46.3 | -172.3 | -176.4 | -78 | 161.7 | 0 | 0 | 113.6 | M210 F214 A215 A216 | M210-E212 PolarHBondContact O-N 3.35Å; E212-F214 PolarHBondContact O-N 2.91Å; E212-F214 VanDerWaalsContact O-N 3.1Å; E212-A215 PolarHBondContact O-N 3.02Å; E212-A216 VanDerWaalsContact O-CB 3.27Å; E212-A216 WeakPolarHBondContact O-CB 3.49Å; E212-A216 PolarHBondContact O-N 3.1Å |
| 213 | P | 94.3 | Very high | 90.9 | Very high | 37 Ų | 37 | 51.9 Ų | 51.9 | 24% | 0.24 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.9 | -24.9 | -178.8 | -28.6 | 38.1 | 0 | 0 | 0 | 113.9 | Y211 R217 | Y211-P213 HydrophobicContact CD1-CB 4.25Å; Y211-P213 HydrophobicContact CD1-CG 4.26Å; Y211-P213 HydrophobicContact CE1-CB 3.75Å; Y211-P213 HydrophobicContact CE1-CG 3.66Å; Y211-P213 HydrophobicContact CE2-CG 4.01Å; P213-R217 WeakPolarHBondContact O-CD 3.3Å; P213-R217 VanDerWaalsContact O-CG 3.26Å; P213-R217 WeakPolarHBondContact O-CG 3.23Å; P213-R217 PolarHBondContact O-NE 3.16Å |
| 214 | F | 94.4 | Very high | 90.2 | Very high | 17 Ų | 17 | 53.5 Ų | 53.5 | 8% | 0.075 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -86.8 | -43.3 | 176.6 | -74.3 | 9.5 | 0 | 0 | 0 | 111 | P147 E148 L207 Y208 Y211 E212 A216 R217 | P147-F214 HydrophobicContact CB-CE1 4.27Å; P147-F214 HydrophobicContact CB-CE2 3.78Å; P147-F214 HydrophobicContact CB-CZ 3.51Å; E148-F214 HydrophobicContact CB-CE1 4.26Å; L207-F214 HydrophobicContact CB-CD2 3.78Å; L207-F214 HydrophobicContact CB-CE2 4.08Å; L207-F214 HydrophobicContact CD1-CE2 4.28Å; Y208-F214 HydrophobicContact CD1-CB 3.63Å; Y208-F214 HydrophobicContact CD1-CD2 4.41Å; Y208-F214 HydrophobicContact CD1-CG 4.29Å; Y208-F214 HydrophobicContact CD2-CD2 4.26Å; Y208-F214 HydrophobicContact CE1-CB 3.84Å; Y208-F214 HydrophobicContact CE1-CD2 4.27Å; Y208-F214 HydrophobicContact CE1-CG 4.1Å; Y208-F214 HydrophobicContact CE2-CD2 4.08Å; Y208-F214 HydrophobicContact CG-CB 4.17Å; Y208-F214 HydrophobicContact CG-CD2 4.42Å; Y211-F214 HydrophobicContact CD1-CB 4.21Å; Y211-F214 AromaticContact CD1-CD1 3.73Å; Y211-F214 HydrophobicContact CD1-CD1 3.73Å; Y211-F214 HydrophobicContact CD1-CD2 4.02Å; Y211-F214 HydrophobicContact CD1-CE1 4.03Å; Y211-F214 HydrophobicContact CD1-CE2 4.3Å; Y211-F214 AromaticContact CD1-CG 3.73Å; Y211-F214 HydrophobicContact CD1-CG 3.73Å; Y211-F214 HydrophobicContact CD1-CZ 4.31Å; Y211-F214 AromaticContact CE1-CD1 3.98Å; Y211-F214 HydrophobicContact CE1-CD1 3.98Å; Y211-F214 AromaticContact CE1-CE1 3.97Å; Y211-F214 HydrophobicContact CE1-CE1 3.97Å; Y211-F214 HydrophobicContact CE1-CG 4.44Å; Y211-F214 HydrophobicContact CE1-CZ 4.41Å; Y211-F214 WeakPolarHBondContact O-CB 3.31Å; Y211-F214 PolarHBondContact O-N 3.15Å; E212-F214 PolarHBondContact O-N 2.91Å; E212-F214 VanDerWaalsContact O-N 3.1Å; F214-A216 PolarHBondContact O-N 2.98Å; F214-R217 PolarHBondContact O-N 3.03Å |
| 215 | A | 91.6 | Very high | 89.6 | Confident | 35 Ų | 35 | 54 Ų | 54 | 29% | 0.289 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y211 E212 R217 I218 S219 | Y211-A215 PolarHBondContact O-N 2.86Å; E212-A215 PolarHBondContact O-N 3.02Å; A215-R217 VanDerWaalsContact C-N 3.25Å; A215-R217 PolarHBondContact O-N 3.04Å; A215-I218 PolarHBondContact O-N 2.86Å; A215-I218 VanDerWaalsContact O-N 3.11Å; A215-S219 PolarHBondContact O-N 3.04Å |
| 216 | A | 91.8 | Very high | 88.7 | Confident | 25 Ų | 25 | 62.9 Ų | 62.9 | 21% | 0.207 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.2 | -22.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E212 F214 S219 | E212-A216 VanDerWaalsContact O-CB 3.27Å; E212-A216 WeakPolarHBondContact O-CB 3.49Å; E212-A216 PolarHBondContact O-N 3.1Å; F214-A216 PolarHBondContact O-N 2.98Å; A216-S219 PolarHBondContact O-OG 3.4Å |
| 217 | R | 90.2 | Very high | 87.7 | Confident | 140 Ų | 140 | 67.1 Ų | 67.1 | 53% | 0.528 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -73 | -32.6 | 173.6 | -72.6 | 171 | -164.4 | -176.6 | 2.7 | 111.8 | P213 F214 A215 | P213-R217 WeakPolarHBondContact O-CD 3.3Å; P213-R217 VanDerWaalsContact O-CG 3.26Å; P213-R217 WeakPolarHBondContact O-CG 3.23Å; P213-R217 PolarHBondContact O-NE 3.16Å; F214-R217 PolarHBondContact O-N 3.03Å; A215-R217 VanDerWaalsContact C-N 3.25Å; A215-R217 PolarHBondContact O-N 3.04Å |
| 218 | I | 87.1 | Confident | 86.9 | Confident | 34 Ų | 34 | 69.7 Ų | 69.7 | 17% | 0.174 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -76 | -39 | -178 | -67.4 | 165.7 | 0 | 0 | 0 | 111.5 | Y208 A215 K220 N221 W366 H367 P368 | Y208-I218 HydrophobicContact CD1-CD1 3.35Å; Y208-I218 HydrophobicContact CD1-CG1 4.05Å; Y208-I218 HydrophobicContact CE1-CD1 4.24Å; Y208-I218 HydrophobicContact CG-CD1 3.98Å; A215-I218 PolarHBondContact O-N 2.86Å; A215-I218 VanDerWaalsContact O-N 3.11Å; I218-K220 PolarHBondContact O-N 3.26Å; I218-K220 VanDerWaalsContact O-N 3.13Å; I218-N221 PolarHBondContact O-N 2.81Å; I218-W366 HydrophobicContact CD1-CZ3 4.49Å; I218-H367 WeakPolarHBondContact CG2-NE2 3.45Å; I218-P368 HydrophobicContact CD1-CG 3.67Å |
| 219 | S | 82.9 | Confident | 86 | Confident | 97 Ų | 97 | 69.3 Ų | 69.3 | 68% | 0.678 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -19.6 | -174.8 | 61.7 | 0 | 0 | 0 | 0 | 114.3 | A215 A216 | A215-S219 PolarHBondContact O-N 3.04Å; A216-S219 PolarHBondContact O-OG 3.4Å |
| 220 | K | 81.3 | Confident | 85.3 | Confident | 166 Ų | 166 | 71.3 Ų | 71.3 | 72% | 0.722 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -3.6 | -177.9 | -63.7 | 179.1 | -176 | -179.6 | 0 | 114.2 | I218 | I218-K220 PolarHBondContact O-N 3.26Å; I218-K220 VanDerWaalsContact O-N 3.13Å |
| 221 | N | 79 | Confident | 84.8 | Confident | 102 Ų | 102 | 73.5 Ų | 73.5 | 55% | 0.545 | 41% | 0.412 | S | S | . | . | trans | -74.2 | 122.7 | -176.1 | -72.8 | -23.1 | 0 | 0 | 0 | 111.2 | I218 | I218-N221 PolarHBondContact O-N 2.81Š| ||
| 222 | P | 84.7 | Confident | 84.3 | Confident | 70 Ų | 70 | 72.2 Ų | 72.2 | 46% | 0.455 | 41% | 0.407 | S | S | . | . | trans | -65.6 | 155 | 178.3 | 29 | -35.4 | 0 | 0 | 0 | 111.1 | I224 | P222-I224 WeakPolarHBondContact CB-O 3.28Å; P222-I224 WeakPolarHBondContact CG-O 3.17Å; P222-I224 PolarHBondContact O-N 3.19Å | ||
| 223 | A | 84 | Confident | 83.9 | Confident | 48 Ų | 48 | 72.5 Ų | 72.5 | 40% | 0.397 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -64.7 | -24.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S359 V360 | A223-S359 CarbonylContact O-C 3.56Å; A223-S359 WeakPolarHBondContact O-CA 3.19Å; A223-S359 VanDerWaalsContact O-CB 3.31Å; A223-S359 WeakPolarHBondContact O-CB 3.44Å; A223-V360 CarbonylContact O-C 3.53Å; A223-V360 PolarHBondContact O-N 3.46Å |
| 224 | I | 82.7 | Confident | 83.6 | Confident | 35 Ų | 35 | 73.6 Ų | 73.6 | 18% | 0.179 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -131.6 | 128.6 | 173 | -60.3 | 177.9 | 0 | 0 | 0 | 105.9 | P222 I318 H327 | P222-I224 WeakPolarHBondContact CB-O 3.28Å; P222-I224 WeakPolarHBondContact CG-O 3.17Å; P222-I224 PolarHBondContact O-N 3.19Å; I224-I318 HydrophobicContact CG2-CD1 4.34Å; I224-I318 HydrophobicContact CG2-CG2 4.36Å; I224-H327 HydrophobicContact CD1-CB 4.25Å; I224-H327 WeakPolarHBondContact CD1-ND1 3.36Å |
| 225 | P | 82.9 | Confident | 83.5 | Confident | 35 Ų | 35 | 72.9 Ų | 72.9 | 23% | 0.227 | 41% | 0.407 | C | S | . | . | trans | -67.2 | 138.4 | 179.6 | 29.6 | -34.3 | 0 | 0 | 0 | 109.9 | S227 P229 I318 V360 | P225-S227 WeakPolarHBondContact CB-O 3.35Å; P225-S227 PolarHBondContact O-N 2.88Å; P225-S227 VanDerWaalsContact O-N 3.15Å; P225-P229 HydrophobicContact CB-CG 4.4Å; P225-P229 HydrophobicContact CG-CG 4.03Å; P225-I318 HydrophobicContact CG-CD1 3.71Å; P225-V360 WeakPolarHBondContact CD-O 3.3Å; P225-V360 HydrophobicContact CG-CG1 4.33Å | ||
| 226 | E | 76 | Confident | 83.6 | Confident | 195 Ų | 195 | 75.6 Ų | 75.6 | 91% | 0.911 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -61 | -24.3 | -179.4 | -64.1 | 179.4 | 173.7 | 0 | 0 | 113 | ||
| 227 | S | 74.9 | Confident | 83.8 | Confident | 89 Ų | 89 | 74.4 Ų | 74.4 | 62% | 0.622 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -132.2 | 152 | 176 | 61.7 | 0 | 0 | 0 | 0 | 110.3 | P225 P229 | P225-S227 WeakPolarHBondContact CB-O 3.35Å; P225-S227 PolarHBondContact O-N 2.88Å; P225-S227 VanDerWaalsContact O-N 3.15Å; S227-P229 WeakPolarHBondContact O-CD 3.35Å |
| 228 | T | 77.7 | Confident | 84 | Confident | 58 Ų | 58 | 70.8 Ų | 70.8 | 36% | 0.356 | 39% | 0.394 | S | S | . | . | trans | -64.6 | 118.4 | 176.8 | -67 | 0 | 0 | 0 | 0 | 110.3 | S230 F316 I318 | T228-S230 PolarHBondContact O-N 3.45Å; T228-S230 VanDerWaalsContact O-N 3.16Å; T228-F316 HydrophobicContact CG2-CB 3.72Å; T228-F316 HydrophobicContact CG2-CD1 4.03Å; T228-F316 HydrophobicContact CG2-CG 3.92Å; T228-F316 WeakPolarHBondContact CG2-O 3.45Å; T228-I318 PolarHBondContact OG1-N 2.98Å | ||
| 229 | P | 77.3 | Confident | 84.3 | Confident | 23 Ų | 23 | 73.4 Ų | 73.4 | 15% | 0.149 | 41% | 0.408 | C | S | . | . | trans | -59.5 | 115.7 | 177 | -24.8 | 33 | 0 | 0 | 0 | 112.7 | P225 S227 T231 F316 L362 | P225-P229 HydrophobicContact CB-CG 4.4Å; P225-P229 HydrophobicContact CG-CG 4.03Å; S227-P229 WeakPolarHBondContact O-CD 3.35Å; P229-T231 VanDerWaalsContact C-N 3.34Å; P229-F316 HydrophobicContact CB-CD1 4.07Å; P229-F316 HydrophobicContact CB-CE1 4.18Å; P229-F316 HydrophobicContact CG-CD1 4.03Å; P229-F316 HydrophobicContact CG-CE1 3.7Å; P229-L362 HydrophobicContact CB-CD2 4.03Å | ||
| 230 | S | 78.2 | Confident | 84.9 | Confident | 99 Ų | 99 | 71 Ų | 71 | 69% | 0.692 | 39% | 0.385 | S | S | * | . | trans | -85.9 | -8.7 | 173.9 | 59.4 | 0 | 0 | 0 | 0 | 113.3 | T228 L232 K233 | T228-S230 PolarHBondContact O-N 3.45Å; T228-S230 VanDerWaalsContact O-N 3.16Å; S230-L232 PolarHBondContact O-N 2.83Å; S230-K233 WeakPolarHBondContact O-CB 3.47Å; S230-K233 PolarHBondContact O-N 3.13Å | ||
| 231 | T | 81.2 | Confident | 85.5 | Confident | 80 Ų | 80 | 67.2 Ų | 67.2 | 49% | 0.491 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -20.1 | -174.3 | 51.9 | 0 | 0 | 0 | 0 | 114.5 | P229 L362 | P229-T231 VanDerWaalsContact C-N 3.34Å; T231-L362 VanDerWaalsContact OG1-CD2 3.31Å; T231-L362 WeakPolarHBondContact OG1-CD2 3.4Å |
| 232 | L | 85.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -12.5 | 179.2 | -68.5 | -178.1 | 0 | 0 | 0 | 113.7 | S230 N234 S235 F260 C293 L295 F313 L362 | S230-L232 PolarHBondContact O-N 2.83Å; L232-N234 PolarHBondContact O-N 3.45Å; L232-S235 WeakPolarHBondContact O-CB 3.42Å; L232-S235 PolarHBondContact O-N 3.26Å; L232-S235 PolarHBondContact O-OG 3.39Å; L232-F260 HydrophobicContact CD1-CD2 3.97Å; L232-F260 HydrophobicContact CD1-CE2 3.93Å; L232-F260 HydrophobicContact CD2-CB 4.1Å; L232-F260 HydrophobicContact CD2-CD2 3.81Å; L232-F260 HydrophobicContact CD2-CG 4.15Å; L232-F260 HydrophobicContact CG-CD2 4.48Å; L232-C293 HydrophobicContact CD2-CB 4.4Å; L232-C293 WeakPolarHBondContact CD2-SG 3.45Å; L232-L295 HydrophobicContact CD1-CB 4.26Å; L232-L295 HydrophobicContact CD1-CD2 4.28Å; L232-F313 HydrophobicContact CB-CD1 3.52Å; L232-F313 HydrophobicContact CB-CE1 3.52Å; L232-F313 HydrophobicContact CD1-CE1 4.18Å; L232-F313 HydrophobicContact CD1-CZ 4.48Å; L232-F313 WeakPolarHBondContact O-CD1 3.5Å; L232-L362 HydrophobicContact CD1-CD1 4.06Å; L232-L362 HydrophobicContact CD2-CD1 3.84Å; L232-L362 HydrophobicContact CG-CD1 4.12Å; L232-L362 HydrophobicContact CG-CD2 4.41Å |
| 233 | K | 84.9 | Confident | 86.8 | Confident | 138 Ų | 138 | 68.3 Ų | 68.3 | 60% | 0.6 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 134.3 | -172.4 | -170.9 | 174.4 | -176.2 | 176.8 | 0 | 111.5 | S230 S235 | S230-K233 WeakPolarHBondContact O-CB 3.47Å; S230-K233 PolarHBondContact O-N 3.13Å; K233-S235 PolarHBondContact O-N 3.35Å |
| 234 | N | 87.2 | Confident | 87.4 | Confident | 59 Ų | 59 | 71.4 Ų | 71.4 | 32% | 0.316 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 21.6 | -175.6 | -57.2 | -28.5 | 0 | 0 | 0 | 114.8 | L232 Q263 F313 | L232-N234 PolarHBondContact O-N 3.45Å; N234-Q263 WeakPolarHBondContact O-CG 3.49Å; N234-F313 WeakPolarHBondContact CA-O 3.31Å; N234-F313 PolarHBondContact N-O 2.97Å |
| 235 | S | 92.2 | Very high | 87.9 | Confident | 2 Ų | 2 | 72.1 Ų | 72.1 | 1% | 0.014 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 145 | 173 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | L232 K233 K261 F313 | L232-S235 WeakPolarHBondContact O-CB 3.42Å; L232-S235 PolarHBondContact O-N 3.26Å; L232-S235 PolarHBondContact O-OG 3.39Å; K233-S235 PolarHBondContact O-N 3.35Å; S235-K261 CarbonylContact C-O 3.6Å; S235-K261 WeakPolarHBondContact CA-O 3.29Å; S235-K261 WeakPolarHBondContact CB-O 3.48Å; S235-F313 WeakPolarHBondContact O-CB 3.47Å; S235-F313 PolarHBondContact O-N 3.36Å |
| 236 | K | 94.3 | Very high | 88 | Confident | 93 Ų | 93 | 76.6 Ų | 76.6 | 40% | 0.404 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 129.5 | 175.7 | -174.5 | 172.7 | 179.2 | 172.2 | 0 | 110 | L238 F260 K261 G310 I312 | K236-L238 HydrophobicContact CD-CD2 4.49Å; K236-L238 HydrophobicContact CG-CD2 4.41Å; K236-L238 PolarHBondContact O-N 2.91Å; K236-F260 CarbonylContact O-C 3.5Å; K236-F260 VanDerWaalsContact O-CA 3.31Å; K236-F260 WeakPolarHBondContact O-CA 3.43Å; K236-K261 PolarHBondContact N-O 2.81Å; K236-K261 PolarHBondContact O-N 3.21Å; K236-G310 WeakPolarHBondContact CE-O 3.31Å; K236-I312 HydrophobicContact CB-CD1 3.86Å; K236-I312 HydrophobicContact CG-CD1 4.16Å |
| 237 | C | 95.6 | Very high | 88 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 113.4 | 169.2 | -171.1 | 0 | 0 | 0 | 0 | 108.7 | F260 V308 G310 M311 F333 | C237-F260 HydrophobicContact CB-CD1 4.12Å; C237-F260 HydrophobicContact CB-CE1 3.85Å; C237-V308 WeakPolarHBondContact CB-O 3.31Å; C237-G310 WeakPolarHBondContact O-CA 3.32Å; C237-G310 PolarHBondContact O-N 2.75Å; C237-M311 PolarHBondContact N-O 2.94Å; C237-F333 HydrophobicContact CB-CD1 4.34Å; C237-F333 HydrophobicContact CB-CE1 3.95Å |
| 238 | L | 94.5 | Very high | 88.1 | Confident | 64 Ų | 64 | 73.9 Ų | 73.9 | 34% | 0.335 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | -45.9 | 179.8 | -63.9 | -172.6 | 0 | 0 | 0 | 111.5 | K236 K259 K261 | K236-L238 HydrophobicContact CD-CD2 4.49Å; K236-L238 HydrophobicContact CG-CD2 4.41Å; K236-L238 PolarHBondContact O-N 2.91Å; L238-K259 HydrophobicContact CB-CG 4.44Å; L238-K259 HydrophobicContact CD1-CG 4.5Å; L238-K259 PolarHBondContact N-O 2.85Å; L238-K261 HydrophobicContact CD1-CB 3.79Å; L238-K261 HydrophobicContact CD1-CD 4.35Å; L238-K261 HydrophobicContact CD2-CB 4.07Å; L238-K261 HydrophobicContact CG-CB 3.9Å |
| 239 | L | 94.2 | Very high | 88.1 | Confident | 89 Ų | 89 | 78 Ų | 78 | 47% | 0.466 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 145.6 | -173.5 | -79 | 145.8 | 0 | 0 | 0 | 108 | W241 K259 | L239-W241 HydrophobicContact CB-CE3 4.38Å; L239-W241 HydrophobicContact CB-CZ3 4.27Å; L239-K259 HydrophobicContact CB-CB 4.27Å; L239-K259 HydrophobicContact CD1-CD 4.37Å; L239-K259 PolarHBondContact O-N 3.25Å |
| 240 | F | 94.6 | Very high | 88 | Confident | 47 Ų | 47 | 86.6 Ų | 86.6 | 21% | 0.206 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 152.3 | 159.3 | 83.1 | -89.2 | 0 | 0 | 0 | 109.6 | N257 F258 I305 I307 V308 M309 | F240-N257 CarbonylContact C-O 3.56Å; F240-N257 WeakPolarHBondContact CA-O 3.23Å; F240-N257 WeakPolarHBondContact CB-O 3.41Å; F240-F258 HydrophobicContact CB-CD1 3.66Å; F240-F258 HydrophobicContact CB-CE1 3.97Å; F240-F258 HydrophobicContact CB-CG 4.39Å; F240-F258 HydrophobicContact CG-CE1 4.45Å; F240-I305 HydrophobicContact CD2-CD1 3.79Å; F240-I305 HydrophobicContact CE2-CD1 3.87Å; F240-I305 HydrophobicContact CE2-CG1 4.17Å; F240-I307 HydrophobicContact CE1-CG2 4.38Å; F240-V308 HydrophobicContact CD1-CG2 4.36Å; F240-M309 HydrophobicContact CD1-CE 4.5Å; F240-M309 HydrophobicContact CD1-CG 3.47Å; F240-M309 VanDerWaalsContact CD1-CG 3.47Å; F240-M309 HydrophobicContact CD1-SD 4.14Å; F240-M309 HydrophobicContact CE1-CE 4.07Å; F240-M309 HydrophobicContact CE1-CG 3.84Å; F240-M309 HydrophobicContact CE1-SD 4.31Å |
| 241 | W | 95.4 | Very high | 88.1 | Confident | 85 Ų | 85 | 88.2 Ų | 88.2 | 32% | 0.322 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 158.3 | 172.1 | 64.3 | 97.8 | 0 | 0 | 0 | 109.4 | L239 N257 K259 L294 P371 | L239-W241 HydrophobicContact CB-CE3 4.38Å; L239-W241 HydrophobicContact CB-CZ3 4.27Å; W241-N257 HydrophobicContact CD2-CB 3.53Å; W241-N257 HydrophobicContact CE3-CB 3.96Å; W241-N257 HydrophobicContact CG-CB 4.07Å; W241-N257 HydrophobicContact CH2-CB 3.84Å; W241-N257 HydrophobicContact CZ2-CB 3.38Å; W241-N257 HydrophobicContact CZ3-CB 4.1Å; W241-N257 PolarHBondContact N-O 3.19Å; W241-N257 PolarHBondContact NE1-ND2 3.29Å; W241-N257 VanDerWaalsContact NE1-ND2 3.14Å; W241-N257 PolarHBondContact O-N 2.98Å; W241-K259 HydrophobicContact CZ3-CB 4.14Å; W241-L294 HydrophobicContact CH2-CD1 3.45Å; W241-L294 VanDerWaalsContact CH2-CD1 3.45Å; W241-L294 HydrophobicContact CH2-CD2 4.31Å; W241-L294 HydrophobicContact CZ2-CD1 4.03Å; W241-L294 HydrophobicContact CZ2-CD2 4.33Å; W241-L294 HydrophobicContact CZ3-CD1 4.17Å; W241-P371 HydrophobicContact CH2-CG 4.12Å; W241-P371 HydrophobicContact CZ2-CG 4.2Å |
| 242 | C | 95.9 | Very high | 88.4 | Confident | 57 Ų | 57 | 87.2 Ų | 87.2 | 39% | 0.385 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 150.5 | 173 | 66.1 | 0 | 0 | 0 | 0 | 110.4 | E255 F256 | C242-E255 CarbonylContact C-O 3.54Å; C242-E255 WeakPolarHBondContact CA-O 3.26Å; C242-F256 HydrophobicContact CB-CD1 4.09Å; C242-F256 HydrophobicContact CB-CE1 4.12Å |
| 243 | R | 94.8 | Very high | 88.9 | Confident | 138 Ų | 138 | 88.3 Ų | 88.3 | 52% | 0.521 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 147.3 | 170.7 | 63.5 | 174.7 | 179.8 | 171.9 | 2.5 | 111 | E255 | R243-E255 HydrophobicContact CG-CB 3.89Å; R243-E255 IonicContact CZ-OE1 2.77Å; R243-E255 IonicContact CZ-OE2 3.87Å; R243-E255 PolarHBondContact N-O 3.33Å; R243-E255 VanDerWaalsContact NE-CD 3.27Å; R243-E255 IonicContact NE-OE1 3.21Å; R243-E255 PolarHBondContact NE-OE1 2.89Å; R243-E255 IonicContact NE-OE2 3.52Å; R243-E255 PolarHBondContact NE-OE2 2.72Å; R243-E255 VanDerWaalsContact NH2-CD 3.32Å; R243-E255 IonicContact NH2-OE1 2.61Å; R243-E255 PolarHBondContact NH2-OE1 3.09Å; R243-E255 IonicContact NH2-OE2 3.62Å; R243-E255 PolarHBondContact NH2-OE2 3.35Å; R243-E255 PolarHBondContact O-N 3.4Å |
| 244 | K | 95.5 | Very high | 89.4 | Confident | 113 Ų | 113 | 84.5 Ų | 84.5 | 49% | 0.491 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 125.8 | 168.3 | -168.1 | 178 | -177.1 | -178.8 | 0 | 108.5 | P252 W254 | K244-P252 HydrophobicContact CD-CB 4.42Å; K244-P252 HydrophobicContact CG-CB 4.33Å; K244-W254 HydrophobicContact CB-CD2 4.34Å; K244-W254 HydrophobicContact CB-CE3 3.96Å; K244-W254 HydrophobicContact CB-CH2 3.89Å; K244-W254 HydrophobicContact CB-CZ2 4.21Å; K244-W254 HydrophobicContact CB-CZ3 3.74Å; K244-W254 HydrophobicContact CD-CH2 4.18Å; K244-W254 HydrophobicContact CD-CZ2 3.99Å; K244-W254 HydrophobicContact CG-CD2 4.41Å; K244-W254 HydrophobicContact CG-CH2 4.16Å; K244-W254 HydrophobicContact CG-CZ2 3.99Å; K244-W254 HydrophobicContact CG-CZ3 4.41Å |
| 245 | I | 92.8 | Very high | 89.9 | Confident | 50 Ų | 50 | 82 Ų | 82 | 26% | 0.256 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 111.8 | 170.7 | -58.4 | 177 | 0 | 0 | 0 | 107 | M253 E255 T298 | I245-M253 HydrophobicContact CB-CB 4.23Å; I245-M253 HydrophobicContact CD1-CB 4.5Å; I245-M253 PolarHBondContact N-O 2.9Å; I245-M253 PolarHBondContact O-N 2.61Å; I245-E255 HydrophobicContact CD1-CB 3.91Å; I245-E255 HydrophobicContact CD1-CG 4.47Å; I245-E255 HydrophobicContact CG1-CB 4.03Å; I245-T298 HydrophobicContact CD1-CG2 3.88Å |
| 246 | V | 85.2 | Confident | 90.1 | Very high | 130 Ų | 130 | 82 Ų | 82 | 79% | 0.788 | 40% | 0.404 | S | S | * | . | trans | -94.7 | 117.8 | 168.9 | -173.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 247 | G | 77 | Confident | 90.3 | Very high | 45 Ų | 45 | 77.8 Ų | 77.8 | 46% | 0.464 | 39% | 0.386 | S | S | . | . | trans | -143.6 | -174.2 | 177 | 0 | 0 | 0 | 0 | 0 | 110.3 | R249 | G247-R249 PolarHBondContact O-N 3.09Š| ||
| 248 | N | 76.7 | Confident | 90.3 | Very high | 182 Ų | 182 | 77.8 Ų | 77.8 | 97% | 0.973 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -70.4 | 4 | -176.7 | -63.3 | -3 | 0 | 0 | 0 | 114.3 | ||
| 249 | R | 78.5 | Confident | 90.4 | Very high | 144 Ų | 144 | 75.7 Ų | 75.7 | 54% | 0.543 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -81.8 | 145.6 | 174.9 | -68.8 | -157.6 | 178.9 | 160.8 | -8 | 109.8 | G247 E251 M253 H358 | G247-R249 PolarHBondContact O-N 3.09Å; R249-E251 PolarHBondContact O-N 3.17Å; R249-M253 HydrophobicContact CB-CE 4.44Å; R249-M253 HydrophobicContact CG-CE 4.16Å; R249-M253 PolarHBondContact NH1-SD 3.05Å; R249-M253 VanDerWaalsContact NH1-SD 3.38Å; R249-H358 PolarHBondContact NH1-CD2 3.06Å; R249-H358 PolarHBondContact NH1-NE2 2.79Å; R249-H358 PolarHBondContact NH2-NE2 2.84Å |
| 250 | Q | 73.8 | Confident | 90.4 | Very high | 204 Ų | 204 | 71.5 Ų | 71.5 | 95% | 0.953 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -60.9 | -35 | 175.3 | -75.9 | -179.4 | -21.9 | 0 | 0 | 112 | ||
| 251 | E | 81.6 | Confident | 90.4 | Very high | 132 Ų | 132 | 74 Ų | 74 | 62% | 0.617 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -97.4 | 132.2 | -178.6 | -66.6 | 179.3 | -179.2 | 0 | 0 | 112.1 | R249 | R249-E251 PolarHBondContact O-N 3.17Š|
| 252 | P | 87.7 | Confident | 90.2 | Very high | 59 Ų | 59 | 73.1 Ų | 73.1 | 38% | 0.383 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 132.6 | 176.4 | 29.7 | -33.3 | 0 | 0 | 0 | 110.6 | K244 | K244-P252 HydrophobicContact CD-CB 4.42Å; K244-P252 HydrophobicContact CG-CB 4.33Å |
| 253 | M | 94 | Very high | 89.5 | Confident | 23 Ų | 23 | 75.1 Ų | 75.1 | 11% | 0.113 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 159.3 | 172.6 | -75.7 | 176 | -80 | 0 | 0 | 110.9 | I245 R249 T298 T299 L300 | I245-M253 HydrophobicContact CB-CB 4.23Å; I245-M253 HydrophobicContact CD1-CB 4.5Å; I245-M253 PolarHBondContact N-O 2.9Å; I245-M253 PolarHBondContact O-N 2.61Å; R249-M253 HydrophobicContact CB-CE 4.44Å; R249-M253 HydrophobicContact CG-CE 4.16Å; R249-M253 PolarHBondContact NH1-SD 3.05Å; R249-M253 VanDerWaalsContact NH1-SD 3.38Å; M253-T298 HydrophobicContact CB-CG2 4.02Å; M253-T298 HydrophobicContact CG-CG2 4.49Å; M253-T298 HydrophobicContact SD-CG2 4.27Å; M253-T299 WeakPolarHBondContact CA-O 3.21Å; M253-L300 HydrophobicContact CG-CD2 4.27Å |
| 254 | W | 96.7 | Very high | 88.2 | Confident | 59 Ų | 59 | 72.8 Ų | 72.8 | 22% | 0.223 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 135.2 | 179.1 | -67.2 | 85.9 | 0 | 0 | 0 | 110.7 | K244 F256 T298 T299 F302 | K244-W254 HydrophobicContact CB-CD2 4.34Å; K244-W254 HydrophobicContact CB-CE3 3.96Å; K244-W254 HydrophobicContact CB-CH2 3.89Å; K244-W254 HydrophobicContact CB-CZ2 4.21Å; K244-W254 HydrophobicContact CB-CZ3 3.74Å; K244-W254 HydrophobicContact CD-CH2 4.18Å; K244-W254 HydrophobicContact CD-CZ2 3.99Å; K244-W254 HydrophobicContact CG-CD2 4.41Å; K244-W254 HydrophobicContact CG-CH2 4.16Å; K244-W254 HydrophobicContact CG-CZ2 3.99Å; K244-W254 HydrophobicContact CG-CZ3 4.41Å; W254-F256 HydrophobicContact CB-CE2 3.88Å; W254-T298 CarbonylContact O-C 3.45Å; W254-T298 VanDerWaalsContact O-CA 3.26Å; W254-T298 WeakPolarHBondContact O-CA 3.2Å; W254-T299 PolarHBondContact N-O 3.41Å; W254-T299 PolarHBondContact O-N 2.96Å; W254-F302 HydrophobicContact CD2-CB 3.82Å; W254-F302 AromaticContact CD2-CD2 3.76Å; W254-F302 HydrophobicContact CD2-CD2 3.76Å; W254-F302 HydrophobicContact CD2-CG 4.25Å; W254-F302 HydrophobicContact CE3-CB 4.4Å; W254-F302 AromaticContact CE3-CD2 3.5Å; W254-F302 HydrophobicContact CE3-CD2 3.5Å; W254-F302 VanDerWaalsContact CE3-CD2 3.5Å; W254-F302 HydrophobicContact CE3-CE2 4.25Å; W254-F302 HydrophobicContact CE3-CG 4.36Å; W254-F302 HydrophobicContact CG-CB 4.07Å; W254-F302 HydrophobicContact CG-CD2 4.38Å; W254-F302 HydrophobicContact CH2-CB 4.47Å; W254-F302 HydrophobicContact CH2-CD2 4.1Å; W254-F302 HydrophobicContact CH2-CG 4.46Å; W254-F302 HydrophobicContact CZ2-CB 3.94Å; W254-F302 HydrophobicContact CZ2-CD2 4.37Å; W254-F302 HydrophobicContact CZ2-CG 4.4Å; W254-F302 AromaticContact CZ3-CD2 3.67Å; W254-F302 HydrophobicContact CZ3-CD2 3.67Å; W254-F302 HydrophobicContact CZ3-CE2 4.21Å; W254-F302 HydrophobicContact CZ3-CG 4.45Å |
| 255 | E | 96.7 | Very high | 86.7 | Confident | 5 Ų | 5 | 72.6 Ų | 72.6 | 2% | 0.023 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 121.5 | 180 | -166.1 | -173.2 | 86.7 | 0 | 0 | 110.3 | C242 R243 I245 N257 Q296 | C242-E255 CarbonylContact C-O 3.54Å; C242-E255 WeakPolarHBondContact CA-O 3.26Å; R243-E255 HydrophobicContact CG-CB 3.89Å; R243-E255 IonicContact CZ-OE1 2.77Å; R243-E255 IonicContact CZ-OE2 3.87Å; R243-E255 PolarHBondContact N-O 3.33Å; R243-E255 VanDerWaalsContact NE-CD 3.27Å; R243-E255 IonicContact NE-OE1 3.21Å; R243-E255 PolarHBondContact NE-OE1 2.89Å; R243-E255 IonicContact NE-OE2 3.52Å; R243-E255 PolarHBondContact NE-OE2 2.72Å; R243-E255 VanDerWaalsContact NH2-CD 3.32Å; R243-E255 IonicContact NH2-OE1 2.61Å; R243-E255 PolarHBondContact NH2-OE1 3.09Å; R243-E255 IonicContact NH2-OE2 3.62Å; R243-E255 PolarHBondContact NH2-OE2 3.35Å; R243-E255 PolarHBondContact O-N 3.4Å; I245-E255 HydrophobicContact CD1-CB 3.91Å; I245-E255 HydrophobicContact CD1-CG 4.47Å; I245-E255 HydrophobicContact CG1-CB 4.03Å; E255-N257 PolarHBondContact OE1-ND2 3.2Å; E255-N257 PolarHBondContact OE1-OD1 2.86Å; E255-Q296 HydrophobicContact CG-CG 3.59Å; E255-Q296 PolarHBondContact OE2-NE2 3.46Å |
| 256 | F | 97.6 | Very high | 84.9 | Confident | 2 Ų | 2 | 81.1 Ų | 81.1 | 1% | 0.009 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 121.2 | 175.1 | -66 | -93.3 | 0 | 0 | 0 | 109.2 | C242 W254 F258 Q296 V297 T299 F302 I303 I305 L354 | C242-F256 HydrophobicContact CB-CD1 4.09Å; C242-F256 HydrophobicContact CB-CE1 4.12Å; W254-F256 HydrophobicContact CB-CE2 3.88Å; F256-F258 HydrophobicContact CB-CE2 3.84Å; F256-F258 HydrophobicContact CB-CZ 4.38Å; F256-Q296 CarbonylContact O-C 3.56Å; F256-Q296 WeakPolarHBondContact O-CA 3.31Å; F256-V297 PolarHBondContact N-O 3.44Å; F256-V297 PolarHBondContact O-N 2.92Å; F256-T299 HydrophobicContact CD2-CG2 4.24Å; F256-T299 HydrophobicContact CE2-CG2 4.26Å; F256-T299 VanDerWaalsContact CE2-OG1 3.31Å; F256-T299 WeakPolarHBondContact CE2-OG1 3.16Å; F256-F302 HydrophobicContact CZ-CD2 4.27Å; F256-F302 HydrophobicContact CZ-CE2 4.45Å; F256-I303 VanDerWaalsContact CE1-O 3.28Å; F256-I303 WeakPolarHBondContact CE1-O 3.38Å; F256-I303 HydrophobicContact CZ-CB 4.03Å; F256-I303 WeakPolarHBondContact CZ-O 3.1Å; F256-I305 HydrophobicContact CD1-CD1 3.97Å; F256-I305 HydrophobicContact CD1-CG2 4.43Å; F256-I305 HydrophobicContact CE1-CD1 4.38Å; F256-I305 HydrophobicContact CE1-CG2 4.17Å; F256-L354 HydrophobicContact CB-CD1 4.17Å; F256-L354 HydrophobicContact CD1-CD2 4.18Å; F256-L354 HydrophobicContact CD2-CD2 4.05Å; F256-L354 HydrophobicContact CE1-CD2 4.34Å; F256-L354 HydrophobicContact CE2-CD2 4.24Å; F256-L354 HydrophobicContact CG-CD1 4.35Å; F256-L354 HydrophobicContact CG-CD2 4.03Å; F256-L354 HydrophobicContact CZ-CD2 4.37Å |
| 257 | N | 97.1 | Very high | 83.3 | Confident | 5 Ų | 5 | 81.6 Ų | 81.6 | 3% | 0.027 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 131.6 | -176.4 | -71.1 | -78.8 | 0 | 0 | 0 | 110.1 | F240 W241 E255 L294 L295 | F240-N257 CarbonylContact C-O 3.56Å; F240-N257 WeakPolarHBondContact CA-O 3.23Å; F240-N257 WeakPolarHBondContact CB-O 3.41Å; W241-N257 HydrophobicContact CD2-CB 3.53Å; W241-N257 HydrophobicContact CE3-CB 3.96Å; W241-N257 HydrophobicContact CG-CB 4.07Å; W241-N257 HydrophobicContact CH2-CB 3.84Å; W241-N257 HydrophobicContact CZ2-CB 3.38Å; W241-N257 HydrophobicContact CZ3-CB 4.1Å; W241-N257 PolarHBondContact N-O 3.19Å; W241-N257 PolarHBondContact NE1-ND2 3.29Å; W241-N257 VanDerWaalsContact NE1-ND2 3.14Å; W241-N257 PolarHBondContact O-N 2.98Å; E255-N257 PolarHBondContact OE1-ND2 3.2Å; E255-N257 PolarHBondContact OE1-OD1 2.86Å; N257-L294 HydrophobicContact CB-CD1 4.06Å; N257-L295 CarbonylContact C-O 3.56Å; N257-L295 WeakPolarHBondContact CA-O 3.2Å |
| 258 | F | 96.5 | Very high | 81.9 | Confident | 0 Ų | 0 | 90 Ų | 90 | 0% | 0 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 113.4 | 177 | -55.9 | -94.8 | 0 | 0 | 0 | 109.4 | F240 F256 F260 L294 L295 I305 V308 L331 F333 V352 L354 | F240-F258 HydrophobicContact CB-CD1 3.66Å; F240-F258 HydrophobicContact CB-CE1 3.97Å; F240-F258 HydrophobicContact CB-CG 4.39Å; F240-F258 HydrophobicContact CG-CE1 4.45Å; F256-F258 HydrophobicContact CB-CE2 3.84Å; F256-F258 HydrophobicContact CB-CZ 4.38Å; F258-F260 HydrophobicContact CB-CD2 4.22Å; F258-F260 HydrophobicContact CB-CE2 3.46Å; F258-F260 VanDerWaalsContact CB-CE2 3.46Å; F258-F260 HydrophobicContact CB-CZ 3.66Å; F258-F260 HydrophobicContact CG-CE2 4.46Å; F258-F260 HydrophobicContact CG-CZ 4.37Å; F258-F260 WeakPolarHBondContact O-CD2 3.26Å; F258-L294 WeakPolarHBondContact O-CA 3.32Å; F258-L294 WeakPolarHBondContact O-CD1 3.4Å; F258-L295 HydrophobicContact CB-CB 4.32Å; F258-L295 HydrophobicContact CD2-CD2 4.35Å; F258-L295 PolarHBondContact N-O 3.05Å; F258-L295 PolarHBondContact O-N 2.82Å; F258-I305 HydrophobicContact CE1-CD1 3.87Å; F258-I305 HydrophobicContact CZ-CD1 3.68Å; F258-V308 HydrophobicContact CD1-CG2 4.23Å; F258-V308 HydrophobicContact CE1-CG2 4.02Å; F258-L331 HydrophobicContact CD2-CD1 4.25Å; F258-L331 HydrophobicContact CE1-CD1 4.44Å; F258-L331 HydrophobicContact CE2-CD1 3.88Å; F258-L331 HydrophobicContact CZ-CD1 3.98Å; F258-F333 HydrophobicContact CD1-CZ 4.28Å; F258-F333 HydrophobicContact CE1-CZ 4.42Å; F258-V352 HydrophobicContact CZ-CG1 4.35Å; F258-L354 HydrophobicContact CE2-CD1 4.38Å |
| 259 | K | 96 | Very high | 80.5 | Confident | 21 Ų | 21 | 84.7 Ų | 84.7 | 9% | 0.091 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 119 | 174.6 | 178.5 | 170.5 | 174 | 161.8 | 0 | 109.2 | L238 L239 W241 D289 L294 Y370 | L238-K259 HydrophobicContact CB-CG 4.44Å; L238-K259 HydrophobicContact CD1-CG 4.5Å; L238-K259 PolarHBondContact N-O 2.85Å; L239-K259 HydrophobicContact CB-CB 4.27Å; L239-K259 HydrophobicContact CD1-CD 4.37Å; L239-K259 PolarHBondContact O-N 3.25Å; W241-K259 HydrophobicContact CZ3-CB 4.14Å; K259-D289 IonicContact NZ-OD1 3.89Å; K259-D289 PolarHBondContact NZ-OD1 2.87Å; K259-L294 HydrophobicContact CB-CD1 4.42Å; K259-Y370 WeakPolarHBondContact CD-OH 3.43Å; K259-Y370 WeakPolarHBondContact CE-OH 3.23Å; K259-Y370 PolarHBondContact NZ-OH 3.43Å |
| 260 | F | 95.5 | Very high | 79 | Confident | 0 Ų | 0 | 87.6 Ų | 87.6 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 144 | 178.8 | -66.1 | -72.9 | 0 | 0 | 0 | 111.2 | L232 K236 C237 F258 C292 C293 L295 F313 F333 | L232-F260 HydrophobicContact CD1-CD2 3.97Å; L232-F260 HydrophobicContact CD1-CE2 3.93Å; L232-F260 HydrophobicContact CD2-CB 4.1Å; L232-F260 HydrophobicContact CD2-CD2 3.81Å; L232-F260 HydrophobicContact CD2-CG 4.15Å; L232-F260 HydrophobicContact CG-CD2 4.48Å; K236-F260 CarbonylContact O-C 3.5Å; K236-F260 VanDerWaalsContact O-CA 3.31Å; K236-F260 WeakPolarHBondContact O-CA 3.43Å; C237-F260 HydrophobicContact CB-CD1 4.12Å; C237-F260 HydrophobicContact CB-CE1 3.85Å; F258-F260 HydrophobicContact CB-CD2 4.22Å; F258-F260 HydrophobicContact CB-CE2 3.46Å; F258-F260 VanDerWaalsContact CB-CE2 3.46Å; F258-F260 HydrophobicContact CB-CZ 3.66Å; F258-F260 HydrophobicContact CG-CE2 4.46Å; F258-F260 HydrophobicContact CG-CZ 4.37Å; F258-F260 WeakPolarHBondContact O-CD2 3.26Å; F260-C292 CarbonylContact O-C 3.55Å; F260-C292 WeakPolarHBondContact O-CA 3.15Å; F260-C293 PolarHBondContact N-O 2.91Å; F260-C293 PolarHBondContact O-N 3.21Å; F260-L295 HydrophobicContact CD2-CB 4.21Å; F260-L295 HydrophobicContact CE2-CB 3.75Å; F260-L295 HydrophobicContact CE2-CD2 4.08Å; F260-F313 HydrophobicContact CD1-CB 4.1Å; F260-F313 HydrophobicContact CE1-CB 3.68Å; F260-F313 AromaticContact CE1-CD2 3.93Å; F260-F313 HydrophobicContact CE1-CD2 3.93Å; F260-F313 AromaticContact CE1-CG 3.93Å; F260-F313 HydrophobicContact CE1-CG 3.93Å; F260-F313 HydrophobicContact CZ-CB 4.39Å; F260-F313 AromaticContact CZ-CD2 3.83Å; F260-F313 HydrophobicContact CZ-CD2 3.83Å; F260-F313 HydrophobicContact CZ-CE2 4.31Å; F260-F313 HydrophobicContact CZ-CG 4.15Å; F260-F333 AromaticContact CE1-CE1 3.75Å; F260-F333 HydrophobicContact CE1-CE1 3.75Å; F260-F333 HydrophobicContact CE1-CZ 4.38Å; F260-F333 HydrophobicContact CZ-CE1 4Å; F260-F333 HydrophobicContact CZ-CZ 4.17Å |
| 261 | K | 93.8 | Very high | 77.6 | Confident | 101 Ų | 101 | 81 Ų | 81 | 44% | 0.439 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 117.8 | 166.2 | -175.1 | 166.8 | -175.3 | 170 | 0 | 109.3 | S235 K236 L238 Q263 | S235-K261 CarbonylContact C-O 3.6Å; S235-K261 WeakPolarHBondContact CA-O 3.29Å; S235-K261 WeakPolarHBondContact CB-O 3.48Å; K236-K261 PolarHBondContact N-O 2.81Å; K236-K261 PolarHBondContact O-N 3.21Å; L238-K261 HydrophobicContact CD1-CB 3.79Å; L238-K261 HydrophobicContact CD1-CD 4.35Å; L238-K261 HydrophobicContact CD2-CB 4.07Å; L238-K261 HydrophobicContact CG-CB 3.9Å; K261-Q263 PolarHBondContact O-N 2.96Å |
| 262 | K | 90.8 | Very high | 75.9 | Confident | 66 Ų | 66 | 81.2 Ų | 81.2 | 29% | 0.287 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 131.9 | 176.2 | -65.1 | 171 | -176.4 | 164.4 | 0 | 107.8 | D291 D364 | K262-D291 HydrophobicContact CB-CB 4.34Å; K262-D291 WeakPolarHBondContact CB-O 3.49Å; K262-D291 PolarHBondContact N-O 3.04Å; K262-D364 IonicContact NZ-OD1 3.9Å; K262-D364 PolarHBondContact NZ-OD1 3.31Å |
| 263 | Q | 81.5 | Confident | 74 | Confident | 99 Ų | 99 | 81.4 Ų | 81.4 | 46% | 0.463 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -76 | 128 | 169.1 | -68.8 | -170.5 | -7.2 | 0 | 0 | 107.7 | N234 K261 | N234-Q263 WeakPolarHBondContact O-CG 3.49Å; K261-Q263 PolarHBondContact O-N 2.96Å |
| 264 | S | 67.5 | Low | 72.5 | Confident | 89 Ų | 89 | 82.7 Ų | 82.7 | 62% | 0.622 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 132.1 | 169.9 | 51.9 | 0 | 0 | 0 | 0 | 108 | R266 | S264-R266 PolarHBondContact O-N 3.08Š|
| 265 | P | 63 | Low | 71.2 | Confident | 108 Ų | 108 | 84.9 Ų | 84.9 | 70% | 0.701 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 118.7 | 170.9 | 23 | -29.6 | 0 | 0 | 0 | 105.9 | L267 | P265-L267 PolarHBondContact O-N 3.45Š|
| 266 | R | 56.8 | Low | 70.4 | Confident | 229 Ų | 229 | 91.6 Ų | 91.6 | 86% | 0.864 | 49% | 0.489 | S | S | * | . | trans | -59.5 | 92.6 | 170.5 | -69.2 | -175.1 | -178.7 | 179.3 | 0.4 | 106.3 | S264 K268 | S264-R266 PolarHBondContact O-N 3.08Å; R266-K268 PolarHBondContact O-N 3.41Å | ||
| 267 | L | 50.9 | Low | 69.7 | Low | 141 Ų | 141 | 93.1 Ų | 93.1 | 74% | 0.738 | 50% | 0.499 | S | S | * | . | trans | -59.6 | 110.6 | 173.9 | -80.5 | 162.2 | 0 | 0 | 0 | 105.5 | P265 S269 | P265-L267 PolarHBondContact O-N 3.45Å; L267-S269 PolarHBondContact O-N 2.78Å | ||
| 268 | K | 48 | Very low | 69.2 | Low | 221 Ų | 221 | 94.6 Ų | 94.6 | 96% | 0.961 | 51% | 0.509 | S | S | * | . | trans | -70.5 | 32.6 | 179.3 | -69.3 | -169.8 | 174.4 | -174.1 | 0 | 112.6 | R266 | R266-K268 PolarHBondContact O-N 3.41Š| ||
| 269 | S | 46 | Very low | 68.9 | Low | 71 Ų | 71 | 100.5 Ų | 100.5 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -134.3 | 137.2 | -174.8 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | L267 C271 | L267-S269 PolarHBondContact O-N 2.78Å; S269-C271 PolarHBondContact O-N 3.39Å |
| 270 | K | 48.4 | Very low | 68.7 | Low | 204 Ų | 204 | 106.7 Ų | 106.7 | 89% | 0.887 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -59.3 | 19 | 175.5 | -64.1 | -177.4 | 174.8 | -175 | 0 | 114.5 | T272 | K270-T272 PolarHBondContact O-N 2.69Š|
| 271 | C | 44.7 | Very low | 68.5 | Low | 65 Ų | 65 | 108.8 Ų | 108.8 | 44% | 0.439 | 58% | 0.582 | S | S | . | * | trans | -86.5 | 67.3 | 169.4 | -61.1 | 0 | 0 | 0 | 0 | 108.5 | S269 | S269-C271 PolarHBondContact O-N 3.39Š| ||
| 272 | T | 45 | Very low | 68.4 | Low | 138 Ų | 138 | 109.9 Ų | 109.9 | 85% | 0.847 | 59% | 0.588 | S | S | * | * | trans | -78.6 | -5.5 | 177.1 | 34.7 | 0 | 0 | 0 | 0 | 113.4 | K270 G274 | K270-T272 PolarHBondContact O-N 2.69Å; T272-G274 PolarHBondContact O-N 3.49Å | ||
| 273 | G | 47.7 | Very low | 68.5 | Low | 63 Ų | 63 | 110.8 Ų | 110.8 | 65% | 0.649 | 60% | 0.597 | S | S | * | * | trans | -99.4 | 68.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 274 | G | 61.9 | Low | 69.1 | Low | 49 Ų | 49 | 106.3 Ų | 106.3 | 51% | 0.505 | 58% | 0.576 | S | S | . | * | trans | -58.2 | 141.6 | 154.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | T272 Q276 | T272-G274 PolarHBondContact O-N 3.49Å; G274-Q276 PolarHBondContact O-N 2.73Å | ||
| 275 | L | 70.1 | Confident | 70.4 | Confident | 106 Ų | 106 | 104 Ų | 104 | 56% | 0.555 | 56% | 0.555 | S | S | * | * | trans | -54.8 | 105.3 | 174.1 | -78.8 | 170.1 | 0 | 0 | 0 | 108.6 | C71 W161 | C71-L275 WeakPolarHBondContact SG-CD2 3.09Å; W161-L275 HydrophobicContact CZ2-CB 4.03Å | ||
| 276 | Q | 79.8 | Confident | 71.8 | Confident | 146 Ų | 146 | 100.9 Ų | 100.9 | 68% | 0.682 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -82.6 | 141 | 172.3 | -67.4 | -59.9 | -30.6 | 0 | 0 | 107.9 | W161 G274 | W161-Q276 WeakPolarHBondContact CH2-O 3.29Å; W161-Q276 WeakPolarHBondContact CZ2-O 3.45Å; G274-Q276 PolarHBondContact O-N 2.73Å |
| 277 | P | 82.6 | Confident | 73.5 | Confident | 34 Ų | 34 | 91 Ų | 91 | 22% | 0.221 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 149.8 | 170.5 | 26.7 | -33.5 | 0 | 0 | 0 | 109.5 | C165 V279 H285 | C165-P277 HydrophobicContact CB-CB 4.47Å; P277-V279 PolarHBondContact O-N 3.14Å; P277-H285 HydrophobicContact CG-CB 3.97Å |
| 278 | P | 87.3 | Confident | 75.4 | Confident | 36 Ų | 36 | 86.4 Ų | 86.4 | 23% | 0.234 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -51.7 | 138.3 | 173.1 | -24.6 | 33.2 | 0 | 0 | 0 | 110.8 | W161 Q280 Y281 | W161-P278 HydrophobicContact CH2-CG 4.26Å; W161-P278 HydrophobicContact CZ3-CG 4.18Å; P278-Q280 HydrophobicContact CB-CG 4.25Å; P278-Q280 PolarHBondContact O-N 3.09Å; P278-Q280 VanDerWaalsContact O-N 3.09Å; P278-Y281 HydrophobicContact CB-CD2 3.84Å; P278-Y281 HydrophobicContact CB-CE2 4.22Å; P278-Y281 HydrophobicContact CG-CD2 3.93Å; P278-Y281 HydrophobicContact CG-CE2 4.21Å; P278-Y281 PolarHBondContact O-N 2.91Å |
| 279 | V | 89.7 | Confident | 77.6 | Confident | 124 Ų | 124 | 76.3 Ų | 76.3 | 75% | 0.752 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -52.1 | -38.4 | -172.9 | 177.8 | 0 | 0 | 0 | 0 | 112.2 | P277 Y281 E282 | P277-V279 PolarHBondContact O-N 3.14Å; V279-Y281 PolarHBondContact O-N 3.19Å; V279-E282 VanDerWaalsContact O-CB 3.31Å; V279-E282 WeakPolarHBondContact O-CB 3.5Å; V279-E282 PolarHBondContact O-N 3.37Å |
| 280 | Q | 90.8 | Very high | 79.7 | Confident | 151 Ų | 151 | 76.4 Ų | 76.4 | 71% | 0.706 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -60.6 | -12.9 | 177.1 | 70.5 | -168.7 | 33 | 0 | 0 | 115.2 | P278 | P278-Q280 HydrophobicContact CB-CG 4.25Å; P278-Q280 PolarHBondContact O-N 3.09Å; P278-Q280 VanDerWaalsContact O-N 3.09Å |
| 281 | Y | 92.1 | Very high | 81.7 | Confident | 43 Ų | 43 | 70.2 Ų | 70.2 | 17% | 0.169 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -111.5 | 9.6 | 177.2 | -55.6 | -53.5 | 0 | 0 | 0 | 112.9 | C165 T166 P278 V279 D283 V284 H285 | C165-Y281 HydrophobicContact CB-CD2 3.81Å; C165-Y281 HydrophobicContact CB-CE2 4.43Å; C165-Y281 HydrophobicContact CB-CG 4.43Å; C165-Y281 WeakPolarHBondContact O-CB 3.44Å; T166-Y281 HydrophobicContact CG2-CE1 4.14Å; T166-Y281 HydrophobicContact CG2-CE2 4.01Å; T166-Y281 WeakPolarHBondContact CG2-OH 3.34Å; P278-Y281 HydrophobicContact CB-CD2 3.84Å; P278-Y281 HydrophobicContact CB-CE2 4.22Å; P278-Y281 HydrophobicContact CG-CD2 3.93Å; P278-Y281 HydrophobicContact CG-CE2 4.21Å; P278-Y281 PolarHBondContact O-N 2.91Å; V279-Y281 PolarHBondContact O-N 3.19Å; Y281-D283 VanDerWaalsContact C-N 3.26Å; Y281-D283 PolarHBondContact O-N 3.47Å; Y281-V284 VanDerWaalsContact O-CB 3.3Å; Y281-V284 WeakPolarHBondContact O-CB 3.19Å; Y281-V284 PolarHBondContact O-N 2.86Å; Y281-H285 PolarHBondContact O-CD2 3.38Å; Y281-H285 VanDerWaalsContact O-CD2 3.27Å; Y281-H285 PolarHBondContact O-N 2.75Å |
| 282 | E | 91.9 | Very high | 84 | Confident | 124 Ų | 124 | 67.2 Ų | 67.2 | 58% | 0.579 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -52.5 | -43 | -177.1 | -176.1 | 171.8 | -173.7 | 0 | 0 | 112.8 | V279 V284 H285 T286 | V279-E282 VanDerWaalsContact O-CB 3.31Å; V279-E282 WeakPolarHBondContact O-CB 3.5Å; V279-E282 PolarHBondContact O-N 3.37Å; E282-V284 VanDerWaalsContact C-N 3.32Å; E282-V284 PolarHBondContact O-N 2.79Å; E282-H285 PolarHBondContact O-N 3.49Å; E282-T286 PolarHBondContact O-N 2.93Å; E282-T286 PolarHBondContact O-OG1 3.36Å |
| 283 | D | 92.6 | Very high | 86.3 | Confident | 86 Ų | 86 | 60.6 Ų | 60.6 | 46% | 0.46 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 176.8 | -79.5 | -30.7 | 0 | 0 | 0 | 112.7 | L196 R197 C198 Y281 H285 T286 | L196-D283 HydrophobicContact CB-CB 4.14Å; L196-D283 CarbonylContact O-C 3.57Å; R197-D283 CarbonylContact C-O 3.56Å; R197-D283 VanDerWaalsContact CA-O 3.28Å; R197-D283 WeakPolarHBondContact CA-O 3.35Å; C198-D283 PolarHBondContact N-O 2.66Å; Y281-D283 VanDerWaalsContact C-N 3.26Å; Y281-D283 PolarHBondContact O-N 3.47Å; D283-H285 PolarHBondContact O-N 2.84Å; D283-T286 PolarHBondContact O-N 2.89Å |
| 284 | V | 94.8 | Very high | 88.6 | Confident | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.024 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.8 | -38.2 | 178.2 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | A167 W170 L196 L199 R200 Y281 E282 | A167-V284 HydrophobicContact CB-CG2 3.84Å; W170-V284 HydrophobicContact CG-CG1 4.49Å; L196-V284 HydrophobicContact CD2-CG2 4.42Å; L196-V284 VanDerWaalsContact O-CA 3.28Å; L196-V284 WeakPolarHBondContact O-CA 3.48Å; L196-V284 PolarHBondContact O-N 3.01Å; L199-V284 HydrophobicContact CB-CG1 4.31Å; L199-V284 HydrophobicContact CD2-CG1 4.41Å; R200-V284 HydrophobicContact CB-CG1 4.41Å; R200-V284 WeakPolarHBondContact CB-O 3.44Å; R200-V284 PolarHBondContact N-O 2.91Å; Y281-V284 VanDerWaalsContact O-CB 3.3Å; Y281-V284 WeakPolarHBondContact O-CB 3.19Å; Y281-V284 PolarHBondContact O-N 2.86Å; E282-V284 VanDerWaalsContact C-N 3.32Å; E282-V284 PolarHBondContact O-N 2.79Å |
| 285 | H | 93.8 | Very high | 90.2 | Very high | 42 Ų | 42 | 55.5 Ų | 55.5 | 19% | 0.194 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -95.5 | -8.8 | -175.7 | -67.3 | -84.8 | 0 | 0 | 0 | 114.2 | C165 R200 P277 Y281 E282 D283 N287 | C165-H285 WeakPolarHBondContact CA-NE2 3.45Å; C165-H285 PolarHBondContact O-NE2 3.21Å; R200-H285 VanDerWaalsContact CD-ND1 3.27Å; R200-H285 WeakPolarHBondContact CD-ND1 3.45Å; P277-H285 HydrophobicContact CG-CB 3.97Å; Y281-H285 PolarHBondContact O-CD2 3.38Å; Y281-H285 VanDerWaalsContact O-CD2 3.27Å; Y281-H285 PolarHBondContact O-N 2.75Å; E282-H285 PolarHBondContact O-N 3.49Å; D283-H285 PolarHBondContact O-N 2.84Å; H285-N287 PolarHBondContact O-N 3.22Å |
| 286 | T | 92.7 | Very high | 91.4 | Very high | 41 Ų | 41 | 51.5 Ų | 51.5 | 25% | 0.252 | 27% | 0.267 | S | S | . | . | trans | -55.9 | 123.8 | 176 | -69.2 | 0 | 0 | 0 | 0 | 109.9 | C198 E282 D283 | C198-T286 WeakPolarHBondContact CA-O 3.27Å; C198-T286 PolarHBondContact SG-O 2.73Å; C198-T286 VanDerWaalsContact SG-O 3.39Å; E282-T286 PolarHBondContact O-N 2.93Å; E282-T286 PolarHBondContact O-OG1 3.36Å; D283-T286 PolarHBondContact O-N 2.89Å | ||
| 287 | N | 92.7 | Very high | 92.2 | Very high | 22 Ų | 22 | 44.5 Ų | 44.5 | 12% | 0.118 | 23% | 0.234 | C | C | . | . | trans | -138.4 | 102.9 | 176.3 | 178.5 | 9.8 | 0 | 0 | 0 | 109.4 | A201 H285 D289 Q290 | A201-N287 HydrophobicContact CB-CB 4.11Å; H285-N287 PolarHBondContact O-N 3.22Å; N287-D289 PolarHBondContact O-N 2.83Å; N287-D289 VanDerWaalsContact O-N 3.17Å; N287-D289 PolarHBondContact OD1-N 3.36Å; N287-D289 VanDerWaalsContact OD1-N 3.09Å; N287-Q290 HydrophobicContact CB-CB 4.07Å; N287-Q290 PolarHBondContact ND2-OE1 2.81Å; N287-Q290 VanDerWaalsContact ND2-OE1 3.15Å; N287-Q290 WeakPolarHBondContact O-CB 3.39Å; N287-Q290 PolarHBondContact O-N 3.3Å; N287-Q290 PolarHBondContact OD1-N 2.89Å | ||
| 288 | P | 91.9 | Very high | 92.8 | Very high | 44 Ų | 44 | 43.3 Ų | 43.3 | 29% | 0.286 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -21.3 | -178.4 | 26.4 | -34.5 | 0 | 0 | 0 | 113 | A376 | P288-A376 HydrophobicContact CG-CB 4.05Š|
| 289 | D | 92.9 | Very high | 93.2 | Very high | 9 Ų | 9 | 41.6 Ų | 41.6 | 5% | 0.048 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 11.6 | 178.8 | -63.7 | -42.5 | 0 | 0 | 0 | 112.4 | K259 N287 D291 C292 W365 Y370 S373 | K259-D289 IonicContact NZ-OD1 3.89Å; K259-D289 PolarHBondContact NZ-OD1 2.87Å; N287-D289 PolarHBondContact O-N 2.83Å; N287-D289 VanDerWaalsContact O-N 3.17Å; N287-D289 PolarHBondContact OD1-N 3.36Å; N287-D289 VanDerWaalsContact OD1-N 3.09Å; D289-D291 PolarHBondContact O-N 3.42Å; D289-C292 HydrophobicContact CB-CB 4.4Å; D289-C292 WeakPolarHBondContact O-CB 3.17Å; D289-C292 PolarHBondContact O-N 2.98Å; D289-W365 HydrophobicContact CB-CB 3.86Å; D289-W365 VanDerWaalsContact O-CB 3.26Å; D289-W365 WeakPolarHBondContact O-CB 3.27Å; D289-Y370 HydrophobicContact CB-CE1 4.21Å; D289-S373 VanDerWaalsContact OD2-CB 3.31Å; D289-S373 WeakPolarHBondContact OD2-CB 3.42Å |
| 290 | Q | 90 | Very high | 93.4 | Very high | 73 Ų | 73 | 37.1 Ų | 37.1 | 34% | 0.341 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 134 | 173.6 | -171.5 | 58.5 | 42.3 | 0 | 0 | 110.2 | N287 C292 | N287-Q290 HydrophobicContact CB-CB 4.07Å; N287-Q290 PolarHBondContact ND2-OE1 2.81Å; N287-Q290 VanDerWaalsContact ND2-OE1 3.15Å; N287-Q290 WeakPolarHBondContact O-CB 3.39Å; N287-Q290 PolarHBondContact O-N 3.3Å; N287-Q290 PolarHBondContact OD1-N 2.89Å; Q290-C292 PolarHBondContact O-N 2.86Å; Q290-C292 VanDerWaalsContact O-N 3.09Å |
| 291 | D | 90.2 | Very high | 93.4 | Very high | 74 Ų | 74 | 34.4 Ų | 34.4 | 40% | 0.396 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 15 | -176.7 | -50.1 | -36.1 | 0 | 0 | 0 | 115.1 | K262 D289 | K262-D291 HydrophobicContact CB-CB 4.34Å; K262-D291 WeakPolarHBondContact CB-O 3.49Å; K262-D291 PolarHBondContact N-O 3.04Å; D289-D291 PolarHBondContact O-N 3.42Å |
| 292 | C | 93.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 153.1 | 173.4 | -61 | 0 | 0 | 0 | 0 | 112 | F260 D289 Q290 W365 Y370 | F260-C292 CarbonylContact O-C 3.55Å; F260-C292 WeakPolarHBondContact O-CA 3.15Å; D289-C292 HydrophobicContact CB-CB 4.4Å; D289-C292 WeakPolarHBondContact O-CB 3.17Å; D289-C292 PolarHBondContact O-N 2.98Å; Q290-C292 PolarHBondContact O-N 2.86Å; Q290-C292 VanDerWaalsContact O-N 3.09Å; C292-W365 PolarHBondContact O-N 3.39Å; C292-Y370 WeakPolarHBondContact CB-OH 3.22Å |
| 293 | C | 93.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 156.7 | 173 | 49.8 | 0 | 0 | 0 | 0 | 109.7 | L232 F260 L362 F363 | L232-C293 HydrophobicContact CD2-CB 4.4Å; L232-C293 WeakPolarHBondContact CD2-SG 3.45Å; F260-C293 PolarHBondContact N-O 2.91Å; F260-C293 PolarHBondContact O-N 3.21Å; C293-L362 HydrophobicContact CB-CD1 4.17Å; C293-F363 CarbonylContact C-O 3.43Å; C293-F363 WeakPolarHBondContact CA-O 3.18Å; C293-F363 WeakPolarHBondContact CB-O 3.38Å |
| 294 | L | 94.8 | Very high | 93.8 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 118.9 | -177.8 | 178.6 | 64.1 | 0 | 0 | 0 | 108.8 | W241 N257 F258 K259 L362 F363 Y370 P371 | W241-L294 HydrophobicContact CH2-CD1 3.45Å; W241-L294 VanDerWaalsContact CH2-CD1 3.45Å; W241-L294 HydrophobicContact CH2-CD2 4.31Å; W241-L294 HydrophobicContact CZ2-CD1 4.03Å; W241-L294 HydrophobicContact CZ2-CD2 4.33Å; W241-L294 HydrophobicContact CZ3-CD1 4.17Å; N257-L294 HydrophobicContact CB-CD1 4.06Å; F258-L294 WeakPolarHBondContact O-CA 3.32Å; F258-L294 WeakPolarHBondContact O-CD1 3.4Å; K259-L294 HydrophobicContact CB-CD1 4.42Å; L294-L362 WeakPolarHBondContact O-CA 3.31Å; L294-F363 HydrophobicContact CB-CB 4.35Å; L294-F363 HydrophobicContact CB-CD2 4.34Å; L294-F363 HydrophobicContact CD2-CD2 4.08Å; L294-F363 HydrophobicContact CG-CD2 4.32Å; L294-F363 PolarHBondContact N-O 3.08Å; L294-F363 PolarHBondContact O-N 2.83Å; L294-Y370 HydrophobicContact CB-CD2 3.68Å; L294-Y370 HydrophobicContact CB-CE2 3.61Å; L294-P371 VanDerWaalsContact CD2-CD 3.46Å; L294-P371 HydrophobicContact CD2-CG 4.14Å |
| 295 | L | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 120.5 | 166.3 | 177.4 | 66.2 | 0 | 0 | 0 | 108.4 | L232 N257 F258 F260 V297 F316 L331 V360 | L232-L295 HydrophobicContact CD1-CB 4.26Å; L232-L295 HydrophobicContact CD1-CD2 4.28Å; N257-L295 CarbonylContact C-O 3.56Å; N257-L295 WeakPolarHBondContact CA-O 3.2Å; F258-L295 HydrophobicContact CB-CB 4.32Å; F258-L295 HydrophobicContact CD2-CD2 4.35Å; F258-L295 PolarHBondContact N-O 3.05Å; F258-L295 PolarHBondContact O-N 2.82Å; F260-L295 HydrophobicContact CD2-CB 4.21Å; F260-L295 HydrophobicContact CE2-CB 3.75Å; F260-L295 HydrophobicContact CE2-CD2 4.08Å; L295-V297 HydrophobicContact CD1-CG2 4.24Å; L295-V297 HydrophobicContact CD2-CG2 4.34Å; L295-V297 HydrophobicContact CG-CG2 4.04Å; L295-F316 HydrophobicContact CD1-CE1 4.13Å; L295-F316 HydrophobicContact CD1-CZ 3.94Å; L295-F316 HydrophobicContact CD2-CZ 4.49Å; L295-L331 HydrophobicContact CD2-CD1 4.12Å; L295-L331 HydrophobicContact CD2-CD2 3.78Å; L295-V360 HydrophobicContact CD1-CG1 4.07Å |
| 296 | Q | 96.1 | Very high | 93.9 | Very high | 22 Ų | 22 | 38.1 Ų | 38.1 | 10% | 0.103 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 121.1 | 174.8 | -177.6 | -163.4 | 11.5 | 0 | 0 | 108.2 | E255 F256 R361 F363 | E255-Q296 HydrophobicContact CG-CG 3.59Å; E255-Q296 PolarHBondContact OE2-NE2 3.46Å; F256-Q296 CarbonylContact O-C 3.56Å; F256-Q296 WeakPolarHBondContact O-CA 3.31Å; Q296-R361 HydrophobicContact CB-CB 4.4Å; Q296-R361 PolarHBondContact N-O 2.79Å; Q296-R361 PolarHBondContact O-N 3.31Å; Q296-F363 HydrophobicContact CB-CE2 4.02Å |
| 297 | V | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125.5 | 175.5 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | F256 L295 T299 V329 L354 V357 S359 V360 | F256-V297 PolarHBondContact N-O 3.44Å; F256-V297 PolarHBondContact O-N 2.92Å; L295-V297 HydrophobicContact CD1-CG2 4.24Å; L295-V297 HydrophobicContact CD2-CG2 4.34Å; L295-V297 HydrophobicContact CG-CG2 4.04Å; V297-T299 HydrophobicContact CG1-CG2 4.4Å; V297-V329 HydrophobicContact CG1-CB 4.5Å; V297-V329 HydrophobicContact CG1-CG2 4.29Å; V297-V329 HydrophobicContact CG2-CG1 4.42Å; V297-L354 HydrophobicContact CB-CD1 3.64Å; V297-L354 HydrophobicContact CG1-CB 4.3Å; V297-L354 HydrophobicContact CG1-CD1 3.56Å; V297-L354 HydrophobicContact CG2-CD1 4Å; V297-V357 HydrophobicContact CG1-CG1 3.78Å; V297-V357 HydrophobicContact CG1-CG2 3.92Å; V297-S359 WeakPolarHBondContact CA-O 3.42Å; V297-V360 HydrophobicContact CG1-CG2 4.37Å |
| 298 | T | 95.9 | Very high | 94.2 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 5% | 0.049 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 129.8 | 176.5 | -50.8 | 0 | 0 | 0 | 0 | 109.3 | I245 M253 W254 H358 S359 | I245-T298 HydrophobicContact CD1-CG2 3.88Å; M253-T298 HydrophobicContact CB-CG2 4.02Å; M253-T298 HydrophobicContact CG-CG2 4.49Å; M253-T298 HydrophobicContact SD-CG2 4.27Å; W254-T298 CarbonylContact O-C 3.45Å; W254-T298 VanDerWaalsContact O-CA 3.26Å; W254-T298 WeakPolarHBondContact O-CA 3.2Å; T298-H358 HydrophobicContact CG2-CB 4.38Å; T298-H358 PolarHBondContact O-N 2.81Å; T298-S359 WeakPolarHBondContact CB-OG 3.18Å; T298-S359 PolarHBondContact N-O 3.14Å; T298-S359 PolarHBondContact O-N 2.85Å; T298-S359 PolarHBondContact OG1-OG 3.4Å |
| 299 | T | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 160.7 | 178.5 | 59.5 | 0 | 0 | 0 | 0 | 110.9 | M253 W254 F256 V297 N301 I303 L354 P356 V357 | M253-T299 WeakPolarHBondContact CA-O 3.21Å; W254-T299 PolarHBondContact N-O 3.41Å; W254-T299 PolarHBondContact O-N 2.96Å; F256-T299 HydrophobicContact CD2-CG2 4.24Å; F256-T299 HydrophobicContact CE2-CG2 4.26Å; F256-T299 VanDerWaalsContact CE2-OG1 3.31Å; F256-T299 WeakPolarHBondContact CE2-OG1 3.16Å; V297-T299 HydrophobicContact CG1-CG2 4.4Å; T299-N301 PolarHBondContact OG1-O 2.88Å; T299-I303 HydrophobicContact CG2-CD1 4Å; T299-L354 HydrophobicContact CG2-CB 3.94Å; T299-P356 WeakPolarHBondContact CA-O 3.48Å; T299-P356 VanDerWaalsContact CB-O 3.27Å; T299-P356 WeakPolarHBondContact CB-O 3.48Å; T299-V357 HydrophobicContact CG2-CG2 4.22Å |
| 300 | L | 92.6 | Very high | 94.4 | Very high | 31 Ų | 31 | 44.9 Ų | 44.9 | 16% | 0.162 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -78.4 | -28.7 | 175.6 | -52.9 | 177.6 | 0 | 0 | 0 | 112.1 | M253 H326 P356 H358 | M253-L300 HydrophobicContact CG-CD2 4.27Å; L300-H326 WeakPolarHBondContact CD1-NE2 3.45Å; L300-P356 HydrophobicContact CB-CG 3.89Å; L300-P356 HydrophobicContact CD1-CB 4.26Å; L300-P356 HydrophobicContact CD1-CG 3.86Å; L300-P356 HydrophobicContact CG-CG 4.01Å; L300-P356 PolarHBondContact N-O 2.9Å; L300-P356 VanDerWaalsContact N-O 3.15Å; L300-H358 HydrophobicContact CD2-CB 4.22Å |
| 301 | N | 91.7 | Very high | 94.6 | Very high | 94 Ų | 94 | 41.9 Ų | 41.9 | 50% | 0.503 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -116.7 | 155.7 | -179.1 | -63.8 | -43.2 | 0 | 0 | 0 | 111.3 | T299 | T299-N301 PolarHBondContact OG1-O 2.88Š|
| 302 | F | 94.9 | Very high | 94.7 | Very high | 76 Ų | 76 | 38.8 Ų | 38.8 | 33% | 0.333 | 20% | 0.202 | S | C | . | . | trans | -69.7 | 137.9 | 164.6 | -177.2 | -106.4 | 0 | 0 | 0 | 109 | W254 F256 F304 | W254-F302 HydrophobicContact CD2-CB 3.82Å; W254-F302 AromaticContact CD2-CD2 3.76Å; W254-F302 HydrophobicContact CD2-CD2 3.76Å; W254-F302 HydrophobicContact CD2-CG 4.25Å; W254-F302 HydrophobicContact CE3-CB 4.4Å; W254-F302 AromaticContact CE3-CD2 3.5Å; W254-F302 HydrophobicContact CE3-CD2 3.5Å; W254-F302 VanDerWaalsContact CE3-CD2 3.5Å; W254-F302 HydrophobicContact CE3-CE2 4.25Å; W254-F302 HydrophobicContact CE3-CG 4.36Å; W254-F302 HydrophobicContact CG-CB 4.07Å; W254-F302 HydrophobicContact CG-CD2 4.38Å; W254-F302 HydrophobicContact CH2-CB 4.47Å; W254-F302 HydrophobicContact CH2-CD2 4.1Å; W254-F302 HydrophobicContact CH2-CG 4.46Å; W254-F302 HydrophobicContact CZ2-CB 3.94Å; W254-F302 HydrophobicContact CZ2-CD2 4.37Å; W254-F302 HydrophobicContact CZ2-CG 4.4Å; W254-F302 AromaticContact CZ3-CD2 3.67Å; W254-F302 HydrophobicContact CZ3-CD2 3.67Å; W254-F302 HydrophobicContact CZ3-CE2 4.21Å; W254-F302 HydrophobicContact CZ3-CG 4.45Å; F256-F302 HydrophobicContact CZ-CD2 4.27Å; F256-F302 HydrophobicContact CZ-CE2 4.45Å; F302-F304 HydrophobicContact CD1-CD2 4.17Å; F302-F304 HydrophobicContact CD1-CE2 4.03Å; F302-F304 HydrophobicContact CD1-CZ 4.33Å; F302-F304 AromaticContact CE1-CD1 3.78Å; F302-F304 HydrophobicContact CE1-CD1 3.78Å; F302-F304 AromaticContact CE1-CD2 3.79Å; F302-F304 HydrophobicContact CE1-CD2 3.79Å; F302-F304 AromaticContact CE1-CE1 3.68Å; F302-F304 HydrophobicContact CE1-CE1 3.68Å; F302-F304 AromaticContact CE1-CE2 3.69Å; F302-F304 HydrophobicContact CE1-CE2 3.69Å; F302-F304 AromaticContact CE1-CG 3.84Å; F302-F304 HydrophobicContact CE1-CG 3.84Å; F302-F304 AromaticContact CE1-CZ 3.64Å; F302-F304 HydrophobicContact CE1-CZ 3.64Å; F302-F304 HydrophobicContact CZ-CD1 4.31Å; F302-F304 HydrophobicContact CZ-CE1 4.32Å | ||
| 303 | I | 95.5 | Very high | 94.7 | Very high | 30 Ų | 30 | 38.8 Ų | 38.8 | 15% | 0.154 | 20% | 0.202 | C | C | . | . | trans | -131.3 | 122.5 | -178 | -56.7 | 176.4 | 0 | 0 | 0 | 107.2 | F256 T299 I305 L354 D355 | F256-I303 VanDerWaalsContact CE1-O 3.28Å; F256-I303 WeakPolarHBondContact CE1-O 3.38Å; F256-I303 HydrophobicContact CZ-CB 4.03Å; F256-I303 WeakPolarHBondContact CZ-O 3.1Å; T299-I303 HydrophobicContact CG2-CD1 4Å; I303-I305 HydrophobicContact CG2-CG2 4.29Å; I303-I305 PolarHBondContact O-N 2.69Å; I303-L354 HydrophobicContact CB-CD2 4.26Å; I303-L354 HydrophobicContact CD1-CB 4.31Å; I303-L354 HydrophobicContact CD1-CD2 4.09Å; I303-L354 HydrophobicContact CG2-CD2 4.33Å; I303-D355 VanDerWaalsContact CD1-N 3.27Å; I303-D355 WeakPolarHBondContact CD1-O 3.32Å | ||
| 304 | F | 95.1 | Very high | 94.5 | Very high | 185 Ų | 185 | 39.6 Ų | 39.6 | 81% | 0.811 | 21% | 0.207 | S | C | * | . | trans | -70.2 | 125.6 | 171.8 | -75.6 | -83.2 | 0 | 0 | 0 | 109.4 | F302 | F302-F304 HydrophobicContact CD1-CD2 4.17Å; F302-F304 HydrophobicContact CD1-CE2 4.03Å; F302-F304 HydrophobicContact CD1-CZ 4.33Å; F302-F304 AromaticContact CE1-CD1 3.78Å; F302-F304 HydrophobicContact CE1-CD1 3.78Å; F302-F304 AromaticContact CE1-CD2 3.79Å; F302-F304 HydrophobicContact CE1-CD2 3.79Å; F302-F304 AromaticContact CE1-CE1 3.68Å; F302-F304 HydrophobicContact CE1-CE1 3.68Å; F302-F304 AromaticContact CE1-CE2 3.69Å; F302-F304 HydrophobicContact CE1-CE2 3.69Å; F302-F304 AromaticContact CE1-CG 3.84Å; F302-F304 HydrophobicContact CE1-CG 3.84Å; F302-F304 AromaticContact CE1-CZ 3.64Å; F302-F304 HydrophobicContact CE1-CZ 3.64Å; F302-F304 HydrophobicContact CZ-CD1 4.31Å; F302-F304 HydrophobicContact CZ-CE1 4.32Å | ||
| 305 | I | 95.3 | Very high | 94.2 | Very high | 32 Ų | 32 | 41.3 Ų | 41.3 | 16% | 0.164 | 22% | 0.216 | C | C | . | . | trans | -119.2 | 144.8 | 179.7 | 64.6 | 170.3 | 0 | 0 | 0 | 110.2 | F240 F256 F258 I303 V352 L354 | F240-I305 HydrophobicContact CD2-CD1 3.79Å; F240-I305 HydrophobicContact CE2-CD1 3.87Å; F240-I305 HydrophobicContact CE2-CG1 4.17Å; F256-I305 HydrophobicContact CD1-CD1 3.97Å; F256-I305 HydrophobicContact CD1-CG2 4.43Å; F256-I305 HydrophobicContact CE1-CD1 4.38Å; F256-I305 HydrophobicContact CE1-CG2 4.17Å; F258-I305 HydrophobicContact CE1-CD1 3.87Å; F258-I305 HydrophobicContact CZ-CD1 3.68Å; I303-I305 HydrophobicContact CG2-CG2 4.29Å; I303-I305 PolarHBondContact O-N 2.69Å; I305-V352 HydrophobicContact CB-CG1 3.9Å; I305-V352 HydrophobicContact CB-CG2 4.44Å; I305-V352 HydrophobicContact CG2-CG1 3.52Å; I305-L354 HydrophobicContact CG2-CD2 3.93Å | ||
| 306 | P | 95.4 | Very high | 94.1 | Very high | 54 Ų | 54 | 41.9 Ų | 41.9 | 35% | 0.351 | 22% | 0.218 | S | C | . | . | trans | -63.9 | 157 | 172.8 | 27 | -35.8 | 0 | 0 | 0 | 111.7 | V308 V350 V352 | P306-V308 HydrophobicContact CG-CG1 4.44Å; P306-V308 PolarHBondContact O-N 2.82Å; P306-V350 HydrophobicContact CB-CG1 3.71Å; P306-V350 HydrophobicContact CG-CG1 3.38Å; P306-V352 HydrophobicContact CG-CG2 3.91Å | ||
| 307 | I | 94.7 | Very high | 93.9 | Very high | 129 Ų | 129 | 42.2 Ų | 42.2 | 66% | 0.662 | 22% | 0.222 | S | C | * | . | trans | -70.4 | 119 | 173.9 | -60.7 | 173.9 | 0 | 0 | 0 | 108.6 | F240 M309 | F240-I307 HydrophobicContact CE1-CG2 4.38Å; I307-M309 HydrophobicContact CG2-CE 4.25Å | ||
| 308 | V | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -120.1 | 6.9 | -178.6 | -64.8 | 0 | 0 | 0 | 0 | 113.3 | C237 F240 F258 P306 G310 M311 F333 V350 V352 | C237-V308 WeakPolarHBondContact CB-O 3.31Å; F240-V308 HydrophobicContact CD1-CG2 4.36Å; F258-V308 HydrophobicContact CD1-CG2 4.23Å; F258-V308 HydrophobicContact CE1-CG2 4.02Å; P306-V308 HydrophobicContact CG-CG1 4.44Å; P306-V308 PolarHBondContact O-N 2.82Å; V308-G310 PolarHBondContact O-N 2.99Å; V308-M311 HydrophobicContact CB-SD 4.11Å; V308-M311 HydrophobicContact CG1-SD 4.09Å; V308-M311 WeakPolarHBondContact O-CB 3.39Å; V308-M311 PolarHBondContact O-N 2.79Å; V308-F333 HydrophobicContact CB-CB 4.4Å; V308-F333 HydrophobicContact CB-CD1 3.81Å; V308-F333 HydrophobicContact CB-CD2 3.97Å; V308-F333 HydrophobicContact CB-CE1 3.93Å; V308-F333 HydrophobicContact CB-CE2 4.12Å; V308-F333 HydrophobicContact CB-CG 3.82Å; V308-F333 HydrophobicContact CB-CZ 4.1Å; V308-F333 HydrophobicContact CG1-CB 4.21Å; V308-F333 HydrophobicContact CG1-CD1 4.31Å; V308-F333 HydrophobicContact CG1-CD2 3.58Å; V308-F333 HydrophobicContact CG1-CE2 3.91Å; V308-F333 HydrophobicContact CG1-CG 3.8Å; V308-F333 HydrophobicContact CG1-CZ 4.4Å; V308-F333 HydrophobicContact CG2-CD1 4.27Å; V308-F333 HydrophobicContact CG2-CD2 4.42Å; V308-F333 HydrophobicContact CG2-CE1 3.85Å; V308-F333 HydrophobicContact CG2-CE2 4.05Å; V308-F333 HydrophobicContact CG2-CZ 3.75Å; V308-V350 HydrophobicContact CG1-CG1 3.87Å; V308-V352 HydrophobicContact CG1-CG2 3.84Å | ||
| 309 | M | 95.2 | Very high | 93.6 | Very high | 92 Ų | 92 | 47.3 Ų | 47.3 | 45% | 0.453 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 134.6 | 176.9 | -63.8 | -171.3 | -76.9 | 0 | 0 | 110.1 | F240 I307 M311 | F240-M309 HydrophobicContact CD1-CE 4.5Å; F240-M309 HydrophobicContact CD1-CG 3.47Å; F240-M309 VanDerWaalsContact CD1-CG 3.47Å; F240-M309 HydrophobicContact CD1-SD 4.14Å; F240-M309 HydrophobicContact CE1-CE 4.07Å; F240-M309 HydrophobicContact CE1-CG 3.84Å; F240-M309 HydrophobicContact CE1-SD 4.31Å; I307-M309 HydrophobicContact CG2-CE 4.25Å; M309-M311 VanDerWaalsContact C-N 3.27Å; M309-M311 PolarHBondContact O-N 2.84Å |
| 310 | G | 94 | Very high | 93.4 | Very high | 36 Ų | 36 | 51.2 Ų | 51.2 | 37% | 0.371 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | -18.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | K236 C237 V308 | K236-G310 WeakPolarHBondContact CE-O 3.31Å; C237-G310 WeakPolarHBondContact O-CA 3.32Å; C237-G310 PolarHBondContact O-N 2.75Å; V308-G310 PolarHBondContact O-N 2.99Å |
| 311 | M | 94.8 | Very high | 93.4 | Very high | 11 Ų | 11 | 50 Ų | 50 | 5% | 0.054 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 159.9 | -178.6 | -55.6 | -177.1 | 84.8 | 0 | 0 | 112.6 | C237 V308 M309 F333 D335 V350 | C237-M311 PolarHBondContact N-O 2.94Å; V308-M311 HydrophobicContact CB-SD 4.11Å; V308-M311 HydrophobicContact CG1-SD 4.09Å; V308-M311 WeakPolarHBondContact O-CB 3.39Å; V308-M311 PolarHBondContact O-N 2.79Å; M309-M311 VanDerWaalsContact C-N 3.27Å; M309-M311 PolarHBondContact O-N 2.84Å; M311-F333 HydrophobicContact CB-CB 3.82Å; M311-F333 HydrophobicContact CB-CD1 4.24Å; M311-F333 HydrophobicContact CB-CG 4.48Å; M311-F333 HydrophobicContact CE-CB 3.98Å; M311-F333 HydrophobicContact CG-CB 4.46Å; M311-F333 HydrophobicContact SD-CB 3.73Å; M311-D335 VanDerWaalsContact CE-OD1 3.22Å; M311-D335 WeakPolarHBondContact CE-OD1 3.48Å; M311-V350 HydrophobicContact CE-CB 3.84Å; M311-V350 HydrophobicContact CE-CG2 3.5Å; M311-V350 VanDerWaalsContact CE-CG2 3.5Å; M311-V350 HydrophobicContact SD-CB 4.08Å; M311-V350 HydrophobicContact SD-CG2 4.03Å |
| 312 | I | 93.2 | Very high | 93.3 | Very high | 8 Ų | 8 | 51.3 Ų | 51.3 | 4% | 0.041 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 127.2 | 176.2 | -55.1 | -55.4 | 0 | 0 | 0 | 110.3 | K236 T314 F333 Q334 P337 | K236-I312 HydrophobicContact CB-CD1 3.86Å; K236-I312 HydrophobicContact CG-CD1 4.16Å; I312-T314 HydrophobicContact CG2-CG2 4.47Å; I312-F333 CarbonylContact O-C 3.53Å; I312-F333 VanDerWaalsContact O-CA 3.29Å; I312-F333 WeakPolarHBondContact O-CA 3.14Å; I312-Q334 PolarHBondContact N-O 2.93Å; I312-Q334 PolarHBondContact O-N 2.84Å; I312-P337 HydrophobicContact CG1-CB 4.31Å |
| 313 | F | 92.7 | Very high | 93 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.009 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 123.5 | 175.6 | -173.6 | -103.5 | 0 | 0 | 0 | 111.4 | L232 N234 S235 F260 L315 F316 L331 F333 | L232-F313 HydrophobicContact CB-CD1 3.52Å; L232-F313 HydrophobicContact CB-CE1 3.52Å; L232-F313 HydrophobicContact CD1-CE1 4.18Å; L232-F313 HydrophobicContact CD1-CZ 4.48Å; L232-F313 WeakPolarHBondContact O-CD1 3.5Å; N234-F313 WeakPolarHBondContact CA-O 3.31Å; N234-F313 PolarHBondContact N-O 2.97Å; S235-F313 WeakPolarHBondContact O-CB 3.47Å; S235-F313 PolarHBondContact O-N 3.36Å; F260-F313 HydrophobicContact CD1-CB 4.1Å; F260-F313 HydrophobicContact CE1-CB 3.68Å; F260-F313 AromaticContact CE1-CD2 3.93Å; F260-F313 HydrophobicContact CE1-CD2 3.93Å; F260-F313 AromaticContact CE1-CG 3.93Å; F260-F313 HydrophobicContact CE1-CG 3.93Å; F260-F313 HydrophobicContact CZ-CB 4.39Å; F260-F313 AromaticContact CZ-CD2 3.83Å; F260-F313 HydrophobicContact CZ-CD2 3.83Å; F260-F313 HydrophobicContact CZ-CE2 4.31Å; F260-F313 HydrophobicContact CZ-CG 4.15Å; F313-L315 VanDerWaalsContact CE2-O 3.3Å; F313-L315 WeakPolarHBondContact CE2-O 3.26Å; F313-L315 VanDerWaalsContact CZ-C 3.5Å; F313-L315 WeakPolarHBondContact CZ-O 3.45Å; F313-F316 HydrophobicContact CE1-CB 3.84Å; F313-F316 HydrophobicContact CZ-CB 3.51Å; F313-F316 HydrophobicContact CZ-CD2 4.5Å; F313-F316 HydrophobicContact CZ-CG 4.06Å; F313-L331 HydrophobicContact CE2-CB 3.86Å; F313-L331 HydrophobicContact CE2-CD2 3.61Å; F313-L331 HydrophobicContact CE2-CG 4.24Å; F313-L331 HydrophobicContact CZ-CD2 3.83Å; F313-F333 HydrophobicContact CD2-CD1 4.29Å; F313-F333 AromaticContact CD2-CE1 3.89Å; F313-F333 HydrophobicContact CD2-CE1 3.89Å; F313-F333 HydrophobicContact CD2-CE2 4.47Å; F313-F333 AromaticContact CD2-CZ 3.98Å; F313-F333 HydrophobicContact CD2-CZ 3.98Å; F313-F333 HydrophobicContact CE2-CZ 4.43Å |
| 314 | T | 89.3 | Confident | 92.8 | Very high | 17 Ų | 17 | 56.4 Ų | 56.4 | 10% | 0.104 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | -30.9 | -173.5 | 59 | 0 | 0 | 0 | 0 | 114.1 | I312 V332 Q334 V338 | I312-T314 HydrophobicContact CG2-CG2 4.47Å; T314-V332 PolarHBondContact N-O 3.42Å; T314-V332 PolarHBondContact OG1-O 2.85Å; T314-Q334 HydrophobicContact CG2-CB 4.13Å; T314-Q334 HydrophobicContact CG2-CG 3.89Å; T314-V338 HydrophobicContact CG2-CG2 4.15Å |
| 315 | L | 89.7 | Confident | 92.5 | Very high | 41 Ų | 41 | 57.8 Ų | 57.8 | 22% | 0.215 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 132.3 | -179.1 | -174 | 69.4 | 0 | 0 | 0 | 110.9 | F313 T317 L331 V332 | F313-L315 VanDerWaalsContact CE2-O 3.3Å; F313-L315 WeakPolarHBondContact CE2-O 3.26Å; F313-L315 VanDerWaalsContact CZ-C 3.5Å; F313-L315 WeakPolarHBondContact CZ-O 3.45Å; L315-T317 HydrophobicContact CD1-CG2 3.98Å; L315-T317 HydrophobicContact CD2-CG2 4.12Å; L315-T317 HydrophobicContact CG-CG2 4Å; L315-L331 WeakPolarHBondContact O-CA 3.1Å; L315-V332 HydrophobicContact CB-CB 3.81Å; L315-V332 HydrophobicContact CB-CG2 3.83Å; L315-V332 HydrophobicContact CD2-CG2 3.85Å; L315-V332 HydrophobicContact CG-CG2 4.36Å; L315-V332 PolarHBondContact O-N 2.7Å |
| 316 | F | 92.3 | Very high | 92.3 | Very high | 11 Ų | 11 | 58.8 Ų | 58.8 | 5% | 0.048 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 138.8 | 160 | -164.2 | -171.6 | 0 | 0 | 0 | 107.2 | T228 P229 L295 F313 I318 V329 L331 V360 | T228-F316 HydrophobicContact CG2-CB 3.72Å; T228-F316 HydrophobicContact CG2-CD1 4.03Å; T228-F316 HydrophobicContact CG2-CG 3.92Å; T228-F316 WeakPolarHBondContact CG2-O 3.45Å; P229-F316 HydrophobicContact CB-CD1 4.07Å; P229-F316 HydrophobicContact CB-CE1 4.18Å; P229-F316 HydrophobicContact CG-CD1 4.03Å; P229-F316 HydrophobicContact CG-CE1 3.7Å; L295-F316 HydrophobicContact CD1-CE1 4.13Å; L295-F316 HydrophobicContact CD1-CZ 3.94Å; L295-F316 HydrophobicContact CD2-CZ 4.49Å; F313-F316 HydrophobicContact CE1-CB 3.84Å; F313-F316 HydrophobicContact CZ-CB 3.51Å; F313-F316 HydrophobicContact CZ-CD2 4.5Å; F313-F316 HydrophobicContact CZ-CG 4.06Å; F316-I318 HydrophobicContact CE1-CD1 4.49Å; F316-I318 HydrophobicContact CE2-CG1 4Å; F316-I318 HydrophobicContact CZ-CD1 4.05Å; F316-I318 HydrophobicContact CZ-CG1 4.02Å; F316-V329 HydrophobicContact CD2-CG1 4.36Å; F316-V329 HydrophobicContact CE2-CB 4.49Å; F316-V329 HydrophobicContact CE2-CG1 3.68Å; F316-V329 HydrophobicContact CE2-CG2 4.15Å; F316-L331 HydrophobicContact CD2-CD2 3.39Å; F316-L331 HydrophobicContact CE2-CD2 3.67Å; F316-L331 HydrophobicContact CG-CD2 4.24Å; F316-V360 HydrophobicContact CE1-CG1 4.32Å; F316-V360 HydrophobicContact CZ-CG1 3.64Å |
| 317 | T | 92.2 | Very high | 92.2 | Very high | 30 Ų | 30 | 59.7 Ų | 59.7 | 18% | 0.184 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 140.3 | 163.7 | 54.9 | 0 | 0 | 0 | 0 | 110 | L315 R330 | L315-T317 HydrophobicContact CD1-CG2 3.98Å; L315-T317 HydrophobicContact CD2-CG2 4.12Å; L315-T317 HydrophobicContact CG-CG2 4Å; T317-R330 PolarHBondContact N-O 2.8Å; T317-R330 PolarHBondContact O-N 2.79Å; T317-R330 WeakPolarHBondContact OG1-CB 3.24Å |
| 318 | I | 93.3 | Very high | 92.2 | Very high | 27 Ų | 27 | 57.3 Ų | 57.3 | 14% | 0.138 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 117.2 | 170.7 | -51.8 | 178.1 | 0 | 0 | 0 | 107 | I224 P225 T228 F316 H327 R328 V329 V360 | I224-I318 HydrophobicContact CG2-CD1 4.34Å; I224-I318 HydrophobicContact CG2-CG2 4.36Å; P225-I318 HydrophobicContact CG-CD1 3.71Å; T228-I318 PolarHBondContact OG1-N 2.98Å; F316-I318 HydrophobicContact CE1-CD1 4.49Å; F316-I318 HydrophobicContact CE2-CG1 4Å; F316-I318 HydrophobicContact CZ-CD1 4.05Å; F316-I318 HydrophobicContact CZ-CG1 4.02Å; I318-H327 HydrophobicContact CG2-CB 4.18Å; I318-R328 WeakPolarHBondContact CA-O 3.41Å; I318-V329 HydrophobicContact CG1-CG2 4.24Å; I318-V360 HydrophobicContact CD1-CB 4.46Å; I318-V360 HydrophobicContact CD1-CG1 4.18Å; I318-V360 HydrophobicContact CD1-CG2 4.35Å |
| 319 | N | 92.2 | Very high | 92.2 | Very high | 88 Ų | 88 | 57.3 Ų | 57.3 | 47% | 0.471 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 173.7 | 178.8 | -64.1 | -25.7 | 0 | 0 | 0 | 109.7 | H327 R328 | N319-H327 CarbonylContact O-C 3.54Å; N319-H327 WeakPolarHBondContact O-CA 3.38Å; N319-R328 PolarHBondContact N-O 3.21Å; N319-R328 PolarHBondContact O-N 3.42Å |
| 320 | V | 92.3 | Very high | 92.2 | Very high | 81 Ų | 81 | 55.1 Ų | 55.1 | 49% | 0.491 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 142 | 168.2 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | M324 | V320-M324 HydrophobicContact CB-SD 4.4Å; V320-M324 HydrophobicContact CG1-CB 4.37Å; V320-M324 HydrophobicContact CG1-CE 4.32Å; V320-M324 HydrophobicContact CG1-SD 3.65Å |
| 321 | S | 92.4 | Very high | 92.2 | Very high | 5 Ų | 5 | 53.4 Ų | 53.4 | 4% | 0.035 | 26% | 0.261 | C | S | . | . | trans | -66.4 | 164.5 | 173.4 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | D323 M324 H326 D355 | S321-D323 WeakPolarHBondContact CB-OD1 3.27Å; S321-D323 PolarHBondContact O-N 3.15Å; S321-D323 PolarHBondContact OG-OD1 2.82Å; S321-M324 PolarHBondContact O-N 2.86Å; S321-M324 VanDerWaalsContact O-N 3.08Å; S321-H326 VanDerWaalsContact CB-O 3.27Å; S321-H326 WeakPolarHBondContact CB-O 3.2Å; S321-H326 PolarHBondContact N-O 3.15Å; S321-D355 WeakPolarHBondContact CB-OD1 3.4Å; S321-D355 PolarHBondContact OG-OD1 2.87Å; S321-D355 PolarHBondContact OG-OD2 3.21Å; S321-D355 VanDerWaalsContact OG-OD2 3.14Å | ||
| 322 | T | 89.5 | Confident | 92.2 | Very high | 122 Ų | 122 | 52.9 Ų | 52.9 | 75% | 0.748 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -27.5 | 176.9 | 51.5 | 0 | 0 | 0 | 0 | 112.9 | M324 | T322-M324 PolarHBondContact O-N 3.17Š|
| 323 | D | 89.8 | Confident | 92.2 | Very high | 67 Ų | 67 | 52.5 Ų | 52.5 | 36% | 0.358 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -7.6 | 176.3 | 72.8 | 1 | 0 | 0 | 0 | 113.7 | S321 R325 H326 | S321-D323 WeakPolarHBondContact CB-OD1 3.27Å; S321-D323 PolarHBondContact O-N 3.15Å; S321-D323 PolarHBondContact OG-OD1 2.82Å; D323-R325 PolarHBondContact O-N 3.19Å; D323-R325 VanDerWaalsContact O-N 3.11Å; D323-R325 PolarHBondContact OD1-N 3.16Å; D323-H326 PolarHBondContact OD1-N 2.77Å; D323-H326 VanDerWaalsContact OD1-N 3.11Å; D323-H326 IonicContact OD1-ND1 3.2Å; D323-H326 IonicContact OD2-CE1 2.79Å; D323-H326 PolarHBondContact OD2-CE1 2.8Å; D323-H326 IonicContact OD2-CG 3.39Å; D323-H326 IonicContact OD2-ND1 3.05Å; D323-H326 PolarHBondContact OD2-ND1 3.45Å |
| 324 | M | 89.6 | Confident | 92.2 | Very high | 147 Ų | 147 | 53 Ų | 53 | 72% | 0.724 | 26% | 0.259 | S | S | * | . | S | Bend | trans | 59.9 | 11.8 | -176.2 | -56.1 | -69.6 | -75.5 | 0 | 0 | 115.1 | V320 S321 T322 | V320-M324 HydrophobicContact CB-SD 4.4Å; V320-M324 HydrophobicContact CG1-CB 4.37Å; V320-M324 HydrophobicContact CG1-CE 4.32Å; V320-M324 HydrophobicContact CG1-SD 3.65Å; S321-M324 PolarHBondContact O-N 2.86Å; S321-M324 VanDerWaalsContact O-N 3.08Å; T322-M324 PolarHBondContact O-N 3.17Å |
| 325 | R | 89.5 | Confident | 92.1 | Very high | 213 Ų | 213 | 59 Ų | 59 | 80% | 0.804 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -106.2 | -27.4 | -179.3 | -65 | 174.6 | -176.4 | -153 | -0.1 | 112 | D323 | D323-R325 PolarHBondContact O-N 3.19Å; D323-R325 VanDerWaalsContact O-N 3.11Å; D323-R325 PolarHBondContact OD1-N 3.16Å |
| 326 | H | 90.9 | Very high | 91.5 | Very high | 54 Ų | 54 | 60.3 Ų | 60.3 | 25% | 0.25 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -119.3 | 171 | -176.4 | -57.8 | 99.8 | 0 | 0 | 0 | 112.4 | L300 S321 D323 P356 | L300-H326 WeakPolarHBondContact CD1-NE2 3.45Å; S321-H326 VanDerWaalsContact CB-O 3.27Å; S321-H326 WeakPolarHBondContact CB-O 3.2Å; S321-H326 PolarHBondContact N-O 3.15Å; D323-H326 PolarHBondContact OD1-N 2.77Å; D323-H326 VanDerWaalsContact OD1-N 3.11Å; D323-H326 IonicContact OD1-ND1 3.2Å; D323-H326 IonicContact OD2-CE1 2.79Å; D323-H326 PolarHBondContact OD2-CE1 2.8Å; D323-H326 IonicContact OD2-CG 3.39Å; D323-H326 IonicContact OD2-ND1 3.05Å; D323-H326 PolarHBondContact OD2-ND1 3.45Å; H326-P356 HydrophobicContact CB-CB 3.47Å; H326-P356 VanDerWaalsContact CB-CB 3.47Å; H326-P356 VanDerWaalsContact CG-CB 3.42Å |
| 327 | H | 93 | Very high | 90.4 | Very high | 73 Ų | 73 | 61.6 Ų | 61.6 | 34% | 0.338 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 154.3 | 168.1 | -67 | 77 | 0 | 0 | 0 | 110.1 | I224 I318 N319 V357 | I224-H327 HydrophobicContact CD1-CB 4.25Å; I224-H327 WeakPolarHBondContact CD1-ND1 3.36Å; I318-H327 HydrophobicContact CG2-CB 4.18Å; N319-H327 CarbonylContact O-C 3.54Å; N319-H327 WeakPolarHBondContact O-CA 3.38Å; H327-V357 HydrophobicContact CB-CB 4.2Å; H327-V357 VanDerWaalsContact O-CB 3.28Å; H327-V357 WeakPolarHBondContact O-CB 3.37Å; H327-V357 PolarHBondContact O-N 2.92Å |
| 328 | R | 94.7 | Very high | 89.2 | Confident | 78 Ų | 78 | 62.6 Ų | 62.6 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 124.7 | 172.7 | 173.4 | 175 | 178 | -175.5 | 1.7 | 108.8 | I318 N319 I353 L354 D355 | I318-R328 WeakPolarHBondContact CA-O 3.41Å; N319-R328 PolarHBondContact N-O 3.21Å; N319-R328 PolarHBondContact O-N 3.42Å; R328-I353 HydrophobicContact CG-CG2 4.2Å; R328-I353 VanDerWaalsContact NE-CG2 3.31Å; R328-I353 VanDerWaalsContact NH2-CD1 3.34Å; R328-L354 WeakPolarHBondContact CA-O 3.4Å; R328-D355 HydrophobicContact CB-CB 4.29Å; R328-D355 WeakPolarHBondContact CD-OD2 3.34Å; R328-D355 HydrophobicContact CG-CB 4.04Å |
| 329 | V | 95.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 130.4 | 173.8 | 159.4 | 0 | 0 | 0 | 0 | 109.1 | V297 F316 I318 L331 I353 L354 V357 V360 | V297-V329 HydrophobicContact CG1-CB 4.5Å; V297-V329 HydrophobicContact CG1-CG2 4.29Å; V297-V329 HydrophobicContact CG2-CG1 4.42Å; F316-V329 HydrophobicContact CD2-CG1 4.36Å; F316-V329 HydrophobicContact CE2-CB 4.49Å; F316-V329 HydrophobicContact CE2-CG1 3.68Å; F316-V329 HydrophobicContact CE2-CG2 4.15Å; I318-V329 HydrophobicContact CG1-CG2 4.24Å; V329-L331 HydrophobicContact CG1-CD2 3.84Å; V329-L331 HydrophobicContact CG1-CG 3.91Å; V329-I353 WeakPolarHBondContact O-CA 3.28Å; V329-L354 HydrophobicContact CB-CB 4.2Å; V329-L354 HydrophobicContact CG1-CD1 4.34Å; V329-L354 PolarHBondContact N-O 2.9Å; V329-L354 PolarHBondContact O-N 2.86Å; V329-V357 HydrophobicContact CB-CG2 3.95Å; V329-V357 HydrophobicContact CG2-CG1 4.26Å; V329-V357 HydrophobicContact CG2-CG2 3.87Å; V329-V360 HydrophobicContact CG2-CG2 3.59Å |
| 330 | R | 94.9 | Very high | 85.8 | Confident | 46 Ų | 46 | 67.3 Ų | 67.3 | 17% | 0.174 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 128.9 | 169.6 | 177.9 | -171.5 | -172.4 | -164.6 | 2.4 | 109.3 | T317 E347 Q351 V352 I353 | T317-R330 PolarHBondContact N-O 2.8Å; T317-R330 PolarHBondContact O-N 2.79Å; T317-R330 WeakPolarHBondContact OG1-CB 3.24Å; R330-E347 IonicContact NH1-OE1 2.69Å; R330-Q351 VanDerWaalsContact NH2-CD 3.29Å; R330-V352 WeakPolarHBondContact CA-O 3.39Å; R330-I353 HydrophobicContact CG-CG1 4.4Å |
| 331 | L | 95.1 | Very high | 84 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 137.5 | 176.8 | -53.4 | 176.5 | 0 | 0 | 0 | 108.1 | F258 L295 F313 L315 F316 V329 F333 Q351 V352 | F258-L331 HydrophobicContact CD2-CD1 4.25Å; F258-L331 HydrophobicContact CE1-CD1 4.44Å; F258-L331 HydrophobicContact CE2-CD1 3.88Å; F258-L331 HydrophobicContact CZ-CD1 3.98Å; L295-L331 HydrophobicContact CD2-CD1 4.12Å; L295-L331 HydrophobicContact CD2-CD2 3.78Å; F313-L331 HydrophobicContact CE2-CB 3.86Å; F313-L331 HydrophobicContact CE2-CD2 3.61Å; F313-L331 HydrophobicContact CE2-CG 4.24Å; F313-L331 HydrophobicContact CZ-CD2 3.83Å; L315-L331 WeakPolarHBondContact O-CA 3.1Å; F316-L331 HydrophobicContact CD2-CD2 3.39Å; F316-L331 HydrophobicContact CE2-CD2 3.67Å; F316-L331 HydrophobicContact CG-CD2 4.24Å; V329-L331 HydrophobicContact CG1-CD2 3.84Å; V329-L331 HydrophobicContact CG1-CG 3.91Å; L331-F333 HydrophobicContact CB-CD2 4.38Å; L331-F333 HydrophobicContact CB-CE2 3.56Å; L331-F333 HydrophobicContact CB-CZ 4.17Å; L331-F333 HydrophobicContact CD1-CE2 4.28Å; L331-F333 HydrophobicContact CD1-CZ 4.29Å; L331-Q351 WeakPolarHBondContact O-CA 3.35Å; L331-V352 HydrophobicContact CB-CB 4.13Å; L331-V352 HydrophobicContact CD1-CB 4.43Å; L331-V352 HydrophobicContact CD1-CG1 4.4Å; L331-V352 PolarHBondContact N-O 2.88Å; L331-V352 PolarHBondContact O-N 3.42Å |
| 332 | V | 94.1 | Very high | 82.3 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 132.7 | 175.9 | -173.3 | 0 | 0 | 0 | 0 | 110 | T314 L315 Q351 | T314-V332 PolarHBondContact N-O 3.42Å; T314-V332 PolarHBondContact OG1-O 2.85Å; L315-V332 HydrophobicContact CB-CB 3.81Å; L315-V332 HydrophobicContact CB-CG2 3.83Å; L315-V332 HydrophobicContact CD2-CG2 3.85Å; L315-V332 HydrophobicContact CG-CG2 4.36Å; L315-V332 PolarHBondContact O-N 2.7Å; V332-Q351 HydrophobicContact CG2-CG 4.36Å |
| 333 | F | 94.2 | Very high | 80.6 | Confident | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 147 | -177.2 | -61 | -98.7 | 0 | 0 | 0 | 111.3 | C237 F258 F260 V308 M311 I312 F313 L331 G349 V350 V352 | C237-F333 HydrophobicContact CB-CD1 4.34Å; C237-F333 HydrophobicContact CB-CE1 3.95Å; F258-F333 HydrophobicContact CD1-CZ 4.28Å; F258-F333 HydrophobicContact CE1-CZ 4.42Å; F260-F333 AromaticContact CE1-CE1 3.75Å; F260-F333 HydrophobicContact CE1-CE1 3.75Å; F260-F333 HydrophobicContact CE1-CZ 4.38Å; F260-F333 HydrophobicContact CZ-CE1 4Å; F260-F333 HydrophobicContact CZ-CZ 4.17Å; V308-F333 HydrophobicContact CB-CB 4.4Å; V308-F333 HydrophobicContact CB-CD1 3.81Å; V308-F333 HydrophobicContact CB-CD2 3.97Å; V308-F333 HydrophobicContact CB-CE1 3.93Å; V308-F333 HydrophobicContact CB-CE2 4.12Å; V308-F333 HydrophobicContact CB-CG 3.82Å; V308-F333 HydrophobicContact CB-CZ 4.1Å; V308-F333 HydrophobicContact CG1-CB 4.21Å; V308-F333 HydrophobicContact CG1-CD1 4.31Å; V308-F333 HydrophobicContact CG1-CD2 3.58Å; V308-F333 HydrophobicContact CG1-CE2 3.91Å; V308-F333 HydrophobicContact CG1-CG 3.8Å; V308-F333 HydrophobicContact CG1-CZ 4.4Å; V308-F333 HydrophobicContact CG2-CD1 4.27Å; V308-F333 HydrophobicContact CG2-CD2 4.42Å; V308-F333 HydrophobicContact CG2-CE1 3.85Å; V308-F333 HydrophobicContact CG2-CE2 4.05Å; V308-F333 HydrophobicContact CG2-CZ 3.75Å; M311-F333 HydrophobicContact CB-CB 3.82Å; M311-F333 HydrophobicContact CB-CD1 4.24Å; M311-F333 HydrophobicContact CB-CG 4.48Å; M311-F333 HydrophobicContact CE-CB 3.98Å; M311-F333 HydrophobicContact CG-CB 4.46Å; M311-F333 HydrophobicContact SD-CB 3.73Å; I312-F333 CarbonylContact O-C 3.53Å; I312-F333 VanDerWaalsContact O-CA 3.29Å; I312-F333 WeakPolarHBondContact O-CA 3.14Å; F313-F333 HydrophobicContact CD2-CD1 4.29Å; F313-F333 AromaticContact CD2-CE1 3.89Å; F313-F333 HydrophobicContact CD2-CE1 3.89Å; F313-F333 HydrophobicContact CD2-CE2 4.47Å; F313-F333 AromaticContact CD2-CZ 3.98Å; F313-F333 HydrophobicContact CD2-CZ 3.98Å; F313-F333 HydrophobicContact CE2-CZ 4.43Å; L331-F333 HydrophobicContact CB-CD2 4.38Å; L331-F333 HydrophobicContact CB-CE2 3.56Å; L331-F333 HydrophobicContact CB-CZ 4.17Å; L331-F333 HydrophobicContact CD1-CE2 4.28Å; L331-F333 HydrophobicContact CD1-CZ 4.29Å; F333-G349 CarbonylContact O-C 3.45Å; F333-G349 WeakPolarHBondContact O-CA 3.28Å; F333-V350 HydrophobicContact CB-CB 4.49Å; F333-V350 PolarHBondContact N-O 3.43Å; F333-V350 PolarHBondContact O-N 2.81Å; F333-V352 HydrophobicContact CD2-CG2 4.17Å; F333-V352 HydrophobicContact CE2-CB 4.24Å; F333-V352 HydrophobicContact CE2-CG2 3.76Å |
| 334 | Q | 91.6 | Very high | 79 | Confident | 14 Ų | 14 | 81.8 Ų | 81.8 | 7% | 0.065 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 148 | -179.9 | -68.3 | 176.6 | 1.7 | 0 | 0 | 111.1 | I312 T314 S336 Q348 | I312-Q334 PolarHBondContact N-O 2.93Å; I312-Q334 PolarHBondContact O-N 2.84Å; T314-Q334 HydrophobicContact CG2-CB 4.13Å; T314-Q334 HydrophobicContact CG2-CG 3.89Å; Q334-S336 VanDerWaalsContact C-N 3.28Å; Q334-S336 PolarHBondContact O-N 2.91Å; Q334-Q348 PolarHBondContact NE2-O 3.11Å |
| 335 | D | 87 | Confident | 77.6 | Confident | 141 Ų | 141 | 84.1 Ų | 84.1 | 75% | 0.754 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -72.3 | -22.7 | -178.4 | -61.6 | -45.5 | 0 | 0 | 0 | 113.3 | M311 | M311-D335 VanDerWaalsContact CE-OD1 3.22Å; M311-D335 WeakPolarHBondContact CE-OD1 3.48Å |
| 336 | S | 77.3 | Confident | 76.1 | Confident | 69 Ų | 69 | 77.4 Ų | 77.4 | 48% | 0.483 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -127 | 146.8 | 178.9 | 62 | 0 | 0 | 0 | 0 | 111.2 | Q334 | Q334-S336 VanDerWaalsContact C-N 3.28Å; Q334-S336 PolarHBondContact O-N 2.91Å |
| 337 | P | 70.5 | Confident | 74.7 | Confident | 39 Ų | 39 | 80.9 Ų | 80.9 | 25% | 0.253 | 42% | 0.421 | S | S | . | . | trans | -64.3 | 147 | 173.3 | 23.9 | -27.5 | 0 | 0 | 0 | 109.5 | I312 H339 | I312-P337 HydrophobicContact CG1-CB 4.31Å; P337-H339 PolarHBondContact O-N 2.95Å; P337-H339 PolarHBondContact O-ND1 3.43Å | ||
| 338 | V | 65.6 | Low | 73.9 | Confident | 51 Ų | 51 | 82.3 Ų | 82.3 | 31% | 0.309 | 43% | 0.428 | S | S | . | . | trans | -67.5 | 96 | 179.6 | -176.2 | 0 | 0 | 0 | 0 | 109 | T314 R342 | T314-V338 HydrophobicContact CG2-CG2 4.15Å; V338-R342 WeakPolarHBondContact CG1-O 3.21Å | ||
| 339 | H | 60.3 | Low | 73.5 | Confident | 142 Ų | 142 | 80.5 Ų | 80.5 | 66% | 0.657 | 43% | 0.433 | S | S | * | . | trans | -76.9 | 124.8 | 176.9 | -67 | 88.1 | 0 | 0 | 0 | 109.8 | P337 | P337-H339 PolarHBondContact O-N 2.95Å; P337-H339 PolarHBondContact O-ND1 3.43Å | ||
| 340 | G | 54.4 | Low | 73.5 | Confident | 72 Ų | 72 | 82.9 Ų | 82.9 | 74% | 0.742 | 45% | 0.448 | S | S | * | . | S | Bend | trans | 86.5 | 41.5 | 156.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | R342 | G340-R342 PolarHBondContact O-N 2.72Š|
| 341 | G | 55.3 | Low | 73.5 | Confident | 80 Ų | 80 | 84.1 Ų | 84.1 | 83% | 0.825 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 65.7 | -13.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | K343 | G341-K343 PolarHBondContact O-N 2.83Å; G341-K343 VanDerWaalsContact O-N 3.16Å |
| 342 | R | 56.5 | Low | 73.5 | Confident | 218 Ų | 218 | 84.1 Ų | 84.1 | 82% | 0.823 | 46% | 0.456 | S | S | * | . | trans | -67.5 | 112.5 | 167.9 | -73.4 | -174.6 | 176.3 | -157.1 | -0.9 | 106.6 | V338 G340 L344 | V338-R342 WeakPolarHBondContact CG1-O 3.21Å; G340-R342 PolarHBondContact O-N 2.72Å; R342-L344 PolarHBondContact O-N 2.58Å | ||
| 343 | K | 54.3 | Low | 73.6 | Confident | 200 Ų | 200 | 87.1 Ų | 87.1 | 87% | 0.87 | 47% | 0.471 | S | S | * | . | trans | -59.1 | 93.6 | 166.8 | -68.1 | 179.2 | -179.7 | 178.7 | 0 | 106.6 | G341 R345 | G341-K343 PolarHBondContact O-N 2.83Å; G341-K343 VanDerWaalsContact O-N 3.16Å; K343-R345 PolarHBondContact O-N 2.75Å | ||
| 344 | L | 55.8 | Low | 73.7 | Confident | 81 Ų | 81 | 87.1 Ų | 87.1 | 42% | 0.424 | 47% | 0.471 | S | S | . | . | trans | -54.3 | 132.4 | 163.6 | -166.9 | 65.2 | 0 | 0 | 0 | 105.6 | R342 S346 Q348 | R342-L344 PolarHBondContact O-N 2.58Å; L344-S346 PolarHBondContact O-N 2.86Å; L344-Q348 HydrophobicContact CG-CB 4.46Å | ||
| 345 | R | 59.6 | Low | 73.9 | Confident | 196 Ų | 196 | 88.4 Ų | 88.4 | 74% | 0.74 | 48% | 0.478 | S | S | * | . | trans | -48.6 | 121.1 | -175.2 | -72.9 | -173.7 | 178.4 | -175.8 | 0.9 | 106.9 | K343 E347 Q348 | K343-R345 PolarHBondContact O-N 2.75Å; R345-E347 PolarHBondContact O-N 3.43Å; R345-Q348 HydrophobicContact CB-CG 4.26Å; R345-Q348 PolarHBondContact O-N 2.8Å | ||
| 346 | S | 58.4 | Low | 74.3 | Confident | 71 Ų | 71 | 82.5 Ų | 82.5 | 50% | 0.497 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -5 | -169.9 | -51.7 | 0 | 0 | 0 | 0 | 114.4 | L344 | L344-S346 PolarHBondContact O-N 2.86Š|
| 347 | E | 60.8 | Low | 75.2 | Confident | 128 Ų | 128 | 79.3 Ų | 79.3 | 60% | 0.598 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -10.8 | -179 | -50.7 | -162.9 | 132.8 | 0 | 0 | 114 | R330 R345 G349 Q351 | R330-E347 IonicContact NH1-OE1 2.69Å; R345-E347 PolarHBondContact O-N 3.43Å; E347-G349 PolarHBondContact O-N 3.11Å; E347-Q351 PolarHBondContact O-NE2 2.77Å |
| 348 | Q | 76.1 | Confident | 76.2 | Confident | 103 Ų | 103 | 80.8 Ų | 80.8 | 48% | 0.481 | 43% | 0.428 | S | S | . | . | trans | -83.8 | 114.4 | 176.6 | -70.3 | 178.6 | -23.5 | 0 | 0 | 109.6 | Q334 L344 R345 | Q334-Q348 PolarHBondContact NE2-O 3.11Å; L344-Q348 HydrophobicContact CG-CB 4.46Å; R345-Q348 HydrophobicContact CB-CG 4.26Å; R345-Q348 PolarHBondContact O-N 2.8Å | ||
| 349 | G | 87.7 | Confident | 77.5 | Confident | 39 Ų | 39 | 78.8 Ų | 78.8 | 40% | 0.402 | 42% | 0.417 | S | S | . | . | S | Bend | trans | 151.4 | 172.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F333 E347 Q351 | F333-G349 CarbonylContact O-C 3.45Å; F333-G349 WeakPolarHBondContact O-CA 3.28Å; E347-G349 PolarHBondContact O-N 3.11Å; G349-Q351 PolarHBondContact O-N 3.3Å |
| 350 | V | 94.1 | Very high | 79.1 | Confident | 51 Ų | 51 | 72.2 Ų | 72.2 | 31% | 0.309 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 122.8 | 172.3 | 176.6 | 0 | 0 | 0 | 0 | 108.1 | P306 V308 M311 F333 | P306-V350 HydrophobicContact CB-CG1 3.71Å; P306-V350 HydrophobicContact CG-CG1 3.38Å; V308-V350 HydrophobicContact CG1-CG1 3.87Å; M311-V350 HydrophobicContact CE-CB 3.84Å; M311-V350 HydrophobicContact CE-CG2 3.5Å; M311-V350 VanDerWaalsContact CE-CG2 3.5Å; M311-V350 HydrophobicContact SD-CB 4.08Å; M311-V350 HydrophobicContact SD-CG2 4.03Å; F333-V350 HydrophobicContact CB-CB 4.49Å; F333-V350 PolarHBondContact N-O 3.43Å; F333-V350 PolarHBondContact O-N 2.81Å |
| 351 | Q | 94.7 | Very high | 81 | Confident | 72 Ų | 72 | 73.4 Ų | 73.4 | 34% | 0.336 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 133.2 | -178 | -56.9 | -171.7 | 43 | 0 | 0 | 110.4 | R330 L331 V332 E347 G349 | R330-Q351 VanDerWaalsContact NH2-CD 3.29Å; L331-Q351 WeakPolarHBondContact O-CA 3.35Å; V332-Q351 HydrophobicContact CG2-CG 4.36Å; E347-Q351 PolarHBondContact O-NE2 2.77Å; G349-Q351 PolarHBondContact O-N 3.3Å |
| 352 | V | 96 | Very high | 82.8 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 120.2 | 168 | 178 | 0 | 0 | 0 | 0 | 107.4 | F258 I305 P306 V308 R330 L331 F333 L354 | F258-V352 HydrophobicContact CZ-CG1 4.35Å; I305-V352 HydrophobicContact CB-CG1 3.9Å; I305-V352 HydrophobicContact CB-CG2 4.44Å; I305-V352 HydrophobicContact CG2-CG1 3.52Å; P306-V352 HydrophobicContact CG-CG2 3.91Å; V308-V352 HydrophobicContact CG1-CG2 3.84Å; R330-V352 WeakPolarHBondContact CA-O 3.39Å; L331-V352 HydrophobicContact CB-CB 4.13Å; L331-V352 HydrophobicContact CD1-CB 4.43Å; L331-V352 HydrophobicContact CD1-CG1 4.4Å; L331-V352 PolarHBondContact N-O 2.88Å; L331-V352 PolarHBondContact O-N 3.42Å; F333-V352 HydrophobicContact CD2-CG2 4.17Å; F333-V352 HydrophobicContact CE2-CB 4.24Å; F333-V352 HydrophobicContact CE2-CG2 3.76Å; V352-L354 HydrophobicContact CG1-CD2 4.29Å; V352-L354 HydrophobicContact CG1-CG 4.25Å |
| 353 | I | 96 | Very high | 84.5 | Confident | 63 Ų | 63 | 62.3 Ų | 62.3 | 32% | 0.323 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 124.6 | 178.2 | -65.7 | 157.8 | 0 | 0 | 0 | 107.6 | R328 V329 R330 D355 | R328-I353 HydrophobicContact CG-CG2 4.2Å; R328-I353 VanDerWaalsContact NE-CG2 3.31Å; R328-I353 VanDerWaalsContact NH2-CD1 3.34Å; V329-I353 WeakPolarHBondContact O-CA 3.28Å; R330-I353 HydrophobicContact CG-CG1 4.4Å; I353-D355 HydrophobicContact CG2-CB 4.45Å |
| 354 | L | 96.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 119.1 | 175.1 | -58.9 | 173.3 | 0 | 0 | 0 | 107.8 | F256 F258 V297 T299 I303 I305 R328 V329 V352 V357 | F256-L354 HydrophobicContact CB-CD1 4.17Å; F256-L354 HydrophobicContact CD1-CD2 4.18Å; F256-L354 HydrophobicContact CD2-CD2 4.05Å; F256-L354 HydrophobicContact CE1-CD2 4.34Å; F256-L354 HydrophobicContact CE2-CD2 4.24Å; F256-L354 HydrophobicContact CG-CD1 4.35Å; F256-L354 HydrophobicContact CG-CD2 4.03Å; F256-L354 HydrophobicContact CZ-CD2 4.37Å; F258-L354 HydrophobicContact CE2-CD1 4.38Å; V297-L354 HydrophobicContact CB-CD1 3.64Å; V297-L354 HydrophobicContact CG1-CB 4.3Å; V297-L354 HydrophobicContact CG1-CD1 3.56Å; V297-L354 HydrophobicContact CG2-CD1 4Å; T299-L354 HydrophobicContact CG2-CB 3.94Å; I303-L354 HydrophobicContact CB-CD2 4.26Å; I303-L354 HydrophobicContact CD1-CB 4.31Å; I303-L354 HydrophobicContact CD1-CD2 4.09Å; I303-L354 HydrophobicContact CG2-CD2 4.33Å; I305-L354 HydrophobicContact CG2-CD2 3.93Å; R328-L354 WeakPolarHBondContact CA-O 3.4Å; V329-L354 HydrophobicContact CB-CB 4.2Å; V329-L354 HydrophobicContact CG1-CD1 4.34Å; V329-L354 PolarHBondContact N-O 2.9Å; V329-L354 PolarHBondContact O-N 2.86Å; V352-L354 HydrophobicContact CG1-CD2 4.29Å; V352-L354 HydrophobicContact CG1-CG 4.25Å; L354-V357 HydrophobicContact CB-CG2 4.01Å; L354-V357 WeakPolarHBondContact O-CG2 3.39Å |
| 355 | D | 95.7 | Very high | 88.1 | Confident | 40 Ų | 40 | 52.7 Ų | 52.7 | 21% | 0.214 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 123.6 | -174.4 | -166.1 | -5.6 | 0 | 0 | 0 | 108.5 | I303 S321 R328 I353 | I303-D355 VanDerWaalsContact CD1-N 3.27Å; I303-D355 WeakPolarHBondContact CD1-O 3.32Å; S321-D355 WeakPolarHBondContact CB-OD1 3.4Å; S321-D355 PolarHBondContact OG-OD1 2.87Å; S321-D355 PolarHBondContact OG-OD2 3.21Å; S321-D355 VanDerWaalsContact OG-OD2 3.14Å; R328-D355 HydrophobicContact CB-CB 4.29Å; R328-D355 WeakPolarHBondContact CD-OD2 3.34Å; R328-D355 HydrophobicContact CG-CB 4.04Å; I353-D355 HydrophobicContact CG2-CB 4.45Å |
| 356 | P | 95 | Very high | 89.7 | Confident | 17 Ų | 17 | 46.4 Ų | 46.4 | 11% | 0.11 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -85.2 | 134.8 | 1.8 | 32.7 | -34.8 | 0 | 0 | 0 | 113.5 | T299 L300 H326 | T299-P356 WeakPolarHBondContact CA-O 3.48Å; T299-P356 VanDerWaalsContact CB-O 3.27Å; T299-P356 WeakPolarHBondContact CB-O 3.48Å; L300-P356 HydrophobicContact CB-CG 3.89Å; L300-P356 HydrophobicContact CD1-CB 4.26Å; L300-P356 HydrophobicContact CD1-CG 3.86Å; L300-P356 HydrophobicContact CG-CG 4.01Å; L300-P356 PolarHBondContact N-O 2.9Å; L300-P356 VanDerWaalsContact N-O 3.15Å; H326-P356 HydrophobicContact CB-CB 3.47Å; H326-P356 VanDerWaalsContact CB-CB 3.47Å; H326-P356 VanDerWaalsContact CG-CB 3.42Å |
| 357 | V | 94.9 | Very high | 91.4 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 128.7 | 177.9 | 178 | 0 | 0 | 0 | 0 | 110.8 | V297 T299 H327 V329 L354 V360 | V297-V357 HydrophobicContact CG1-CG1 3.78Å; V297-V357 HydrophobicContact CG1-CG2 3.92Å; T299-V357 HydrophobicContact CG2-CG2 4.22Å; H327-V357 HydrophobicContact CB-CB 4.2Å; H327-V357 VanDerWaalsContact O-CB 3.28Å; H327-V357 WeakPolarHBondContact O-CB 3.37Å; H327-V357 PolarHBondContact O-N 2.92Å; V329-V357 HydrophobicContact CB-CG2 3.95Å; V329-V357 HydrophobicContact CG2-CG1 4.26Å; V329-V357 HydrophobicContact CG2-CG2 3.87Å; L354-V357 HydrophobicContact CB-CG2 4.01Å; L354-V357 WeakPolarHBondContact O-CG2 3.39Å; V357-V360 HydrophobicContact CG1-CG2 3.63Å |
| 358 | H | 91.8 | Very high | 92.9 | Very high | 70 Ų | 70 | 38.6 Ų | 38.6 | 32% | 0.324 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -42.3 | 172.9 | 175.7 | -88.6 | 0 | 0 | 0 | 112.2 | R249 T298 L300 | R249-H358 PolarHBondContact NH1-CD2 3.06Å; R249-H358 PolarHBondContact NH1-NE2 2.79Å; R249-H358 PolarHBondContact NH2-NE2 2.84Å; T298-H358 HydrophobicContact CG2-CB 4.38Å; T298-H358 PolarHBondContact O-N 2.81Å; L300-H358 HydrophobicContact CD2-CB 4.22Å |
| 359 | S | 93.4 | Very high | 93.6 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 153.8 | 179.9 | 52 | 0 | 0 | 0 | 0 | 113 | A223 V297 T298 | A223-S359 CarbonylContact O-C 3.56Å; A223-S359 WeakPolarHBondContact O-CA 3.19Å; A223-S359 VanDerWaalsContact O-CB 3.31Å; A223-S359 WeakPolarHBondContact O-CB 3.44Å; V297-S359 WeakPolarHBondContact CA-O 3.42Å; T298-S359 WeakPolarHBondContact CB-OG 3.18Å; T298-S359 PolarHBondContact N-O 3.14Å; T298-S359 PolarHBondContact O-N 2.85Å; T298-S359 PolarHBondContact OG1-OG 3.4Å |
| 360 | V | 94.9 | Very high | 93.8 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.024 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 119.4 | 179.1 | 177.7 | 0 | 0 | 0 | 0 | 108.4 | A223 P225 L295 V297 F316 I318 V329 V357 | A223-V360 CarbonylContact O-C 3.53Å; A223-V360 PolarHBondContact O-N 3.46Å; P225-V360 WeakPolarHBondContact CD-O 3.3Å; P225-V360 HydrophobicContact CG-CG1 4.33Å; L295-V360 HydrophobicContact CD1-CG1 4.07Å; V297-V360 HydrophobicContact CG1-CG2 4.37Å; F316-V360 HydrophobicContact CE1-CG1 4.32Å; F316-V360 HydrophobicContact CZ-CG1 3.64Å; I318-V360 HydrophobicContact CD1-CB 4.46Å; I318-V360 HydrophobicContact CD1-CG1 4.18Å; I318-V360 HydrophobicContact CD1-CG2 4.35Å; V329-V360 HydrophobicContact CG2-CG2 3.59Å; V357-V360 HydrophobicContact CG1-CG2 3.63Å |
| 361 | R | 93.3 | Very high | 93.7 | Very high | 96 Ų | 96 | 37.2 Ų | 37.2 | 36% | 0.362 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 140.6 | 178.4 | -60.5 | -176.9 | -178.9 | -150.5 | -3.4 | 110.6 | Q296 F363 | Q296-R361 HydrophobicContact CB-CB 4.4Å; Q296-R361 PolarHBondContact N-O 2.79Å; Q296-R361 PolarHBondContact O-N 3.31Å; R361-F363 HydrophobicContact CB-CE1 3.8Å; R361-F363 HydrophobicContact CB-CE2 4.12Å; R361-F363 HydrophobicContact CB-CZ 3.57Å; R361-F363 HydrophobicContact CG-CE1 4.47Å; R361-F363 HydrophobicContact CG-CZ 4.21Å |
| 362 | L | 92.7 | Very high | 93.2 | Very high | 56 Ų | 56 | 36.3 Ų | 36.3 | 29% | 0.293 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 119.7 | 173.2 | -179.8 | 63.1 | 0 | 0 | 0 | 108.6 | P229 T231 L232 C293 L294 | P229-L362 HydrophobicContact CB-CD2 4.03Å; T231-L362 VanDerWaalsContact OG1-CD2 3.31Å; T231-L362 WeakPolarHBondContact OG1-CD2 3.4Å; L232-L362 HydrophobicContact CD1-CD1 4.06Å; L232-L362 HydrophobicContact CD2-CD1 3.84Å; L232-L362 HydrophobicContact CG-CD1 4.12Å; L232-L362 HydrophobicContact CG-CD2 4.41Å; C293-L362 HydrophobicContact CB-CD1 4.17Å; L294-L362 WeakPolarHBondContact O-CA 3.31Å |
| 363 | F | 92.4 | Very high | 92.2 | Very high | 9 Ų | 9 | 37.4 Ų | 37.4 | 4% | 0.039 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 126.5 | 179.5 | -52.1 | -54.6 | 0 | 0 | 0 | 110.4 | C293 L294 Q296 R361 H367 Q369 Y370 | C293-F363 CarbonylContact C-O 3.43Å; C293-F363 WeakPolarHBondContact CA-O 3.18Å; C293-F363 WeakPolarHBondContact CB-O 3.38Å; L294-F363 HydrophobicContact CB-CB 4.35Å; L294-F363 HydrophobicContact CB-CD2 4.34Å; L294-F363 HydrophobicContact CD2-CD2 4.08Å; L294-F363 HydrophobicContact CG-CD2 4.32Å; L294-F363 PolarHBondContact N-O 3.08Å; L294-F363 PolarHBondContact O-N 2.83Å; Q296-F363 HydrophobicContact CB-CE2 4.02Å; R361-F363 HydrophobicContact CB-CE1 3.8Å; R361-F363 HydrophobicContact CB-CE2 4.12Å; R361-F363 HydrophobicContact CB-CZ 3.57Å; R361-F363 HydrophobicContact CG-CE1 4.47Å; R361-F363 HydrophobicContact CG-CZ 4.21Å; F363-H367 HydrophobicContact CB-CB 3.87Å; F363-H367 HydrophobicContact CD1-CB 4.37Å; F363-H367 AromaticContact CD1-CD2 3.84Å; F363-H367 AromaticContact CD1-CE1 3.28Å; F363-H367 WeakPolarHBondContact CD1-CE1 3.29Å; F363-H367 AromaticContact CD1-CG 3.6Å; F363-H367 AromaticContact CD1-ND1 3.22Å; F363-H367 WeakPolarHBondContact CD1-ND1 3.48Å; F363-H367 AromaticContact CD1-NE2 3.65Å; F363-H367 AromaticContact CE1-CE1 3.3Å; F363-H367 WeakPolarHBondContact CE1-CE1 3.45Å; F363-H367 AromaticContact CE1-ND1 3.65Å; F363-H367 AromaticContact CE1-NE2 3.84Å; F363-H367 HydrophobicContact CG-CB 4.43Å; F363-H367 AromaticContact CG-ND1 3.76Å; F363-Q369 HydrophobicContact CE1-CB 4.29Å; F363-Q369 HydrophobicContact CE2-CB 4.16Å; F363-Q369 HydrophobicContact CZ-CB 3.99Å; F363-Y370 HydrophobicContact CB-CD2 4.26Å |
| 364 | D | 92.4 | Very high | 90.9 | Very high | 54 Ų | 54 | 42 Ų | 42 | 29% | 0.289 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 161.5 | 162.1 | -71.1 | -52.4 | 0 | 0 | 0 | 110.3 | K262 W366 H367 | K262-D364 IonicContact NZ-OD1 3.9Å; K262-D364 PolarHBondContact NZ-OD1 3.31Å; D364-W366 HydrophobicContact CB-CD2 4.29Å; D364-W366 HydrophobicContact CB-CG 4.45Å; D364-W366 HydrophobicContact CB-CZ2 4.02Å; D364-W366 PolarHBondContact O-N 3.49Å; D364-H367 VanDerWaalsContact O-CB 3.23Å; D364-H367 WeakPolarHBondContact O-CB 3.34Å; D364-H367 PolarHBondContact O-N 3.45Å |
| 365 | W | 93.7 | Very high | 89.2 | Confident | 25 Ų | 25 | 51.1 Ų | 51.1 | 10% | 0.095 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -23.5 | -175.6 | 68.4 | -96.3 | 0 | 0 | 0 | 115 | A201 I204 R205 D289 C292 | A201-W365 HydrophobicContact CB-CH2 4.17Å; A201-W365 HydrophobicContact CB-CZ3 3.72Å; I204-W365 HydrophobicContact CB-CH2 4.17Å; I204-W365 HydrophobicContact CD1-CH2 4.02Å; I204-W365 HydrophobicContact CG2-CH2 3.96Å; I204-W365 HydrophobicContact CG2-CZ3 4.49Å; R205-W365 HydrophobicContact CG-CE3 4.45Å; R205-W365 HydrophobicContact CG-CZ3 4.21Å; R205-W365 PolarHBondContact NH1-O 2.87Å; D289-W365 HydrophobicContact CB-CB 3.86Å; D289-W365 VanDerWaalsContact O-CB 3.26Å; D289-W365 WeakPolarHBondContact O-CB 3.27Å; C292-W365 PolarHBondContact O-N 3.39Å |
| 366 | W | 93.3 | Very high | 87.2 | Confident | 64 Ų | 64 | 51.6 Ų | 51.6 | 24% | 0.242 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -9.2 | -179.8 | 49.8 | -102.7 | 0 | 0 | 0 | 113.4 | I204 R205 Y208 I218 D364 | I204-W366 HydrophobicContact CG2-CB 3.81Å; R205-W366 HydrophobicContact CG-CB 4.42Å; Y208-W366 AromaticContact CD1-CE3 3.84Å; Y208-W366 HydrophobicContact CD1-CE3 3.84Å; Y208-W366 AromaticContact CD1-CZ3 3.67Å; Y208-W366 HydrophobicContact CD1-CZ3 3.67Å; Y208-W366 HydrophobicContact CD2-CB 4.37Å; Y208-W366 HydrophobicContact CD2-CD2 4.25Å; Y208-W366 AromaticContact CD2-CE3 3.54Å; Y208-W366 HydrophobicContact CD2-CE3 3.54Å; Y208-W366 HydrophobicContact CD2-CZ3 4.24Å; Y208-W366 HydrophobicContact CE1-CD2 4.45Å; Y208-W366 AromaticContact CE1-CE3 3.49Å; Y208-W366 HydrophobicContact CE1-CE3 3.49Å; Y208-W366 VanDerWaalsContact CE1-CE3 3.49Å; Y208-W366 AromaticContact CE1-CH2 3.91Å; Y208-W366 HydrophobicContact CE1-CH2 3.91Å; Y208-W366 AromaticContact CE1-CZ3 3.17Å; Y208-W366 HydrophobicContact CE1-CZ3 3.17Å; Y208-W366 HydrophobicContact CE2-CB 4.14Å; Y208-W366 AromaticContact CE2-CD2 3.61Å; Y208-W366 HydrophobicContact CE2-CD2 3.61Å; Y208-W366 AromaticContact CE2-CE3 3.19Å; Y208-W366 HydrophobicContact CE2-CE3 3.19Å; Y208-W366 HydrophobicContact CE2-CG 4.03Å; Y208-W366 AromaticContact CE2-CZ3 3.84Å; Y208-W366 HydrophobicContact CE2-CZ3 3.84Å; Y208-W366 AromaticContact CG-CE3 3.85Å; Y208-W366 HydrophobicContact CG-CE3 3.85Å; Y208-W366 HydrophobicContact CG-CZ3 4.17Å; Y208-W366 AromaticContact CZ-CD2 3.71Å; Y208-W366 AromaticContact CZ-CE3 3.15Å; Y208-W366 AromaticContact CZ-CH2 3.89Å; Y208-W366 AromaticContact CZ-CZ3 3.26Å; I218-W366 HydrophobicContact CD1-CZ3 4.49Å; D364-W366 HydrophobicContact CB-CD2 4.29Å; D364-W366 HydrophobicContact CB-CG 4.45Å; D364-W366 HydrophobicContact CB-CZ2 4.02Å; D364-W366 PolarHBondContact O-N 3.49Å |
| 367 | H | 93.5 | Very high | 86.8 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.028 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -67.3 | 139.6 | -175 | -170.7 | -91.1 | 0 | 0 | 0 | 111.4 | I218 F363 D364 Q369 Y370 | I218-H367 WeakPolarHBondContact CG2-NE2 3.45Å; F363-H367 HydrophobicContact CB-CB 3.87Å; F363-H367 HydrophobicContact CD1-CB 4.37Å; F363-H367 AromaticContact CD1-CD2 3.84Å; F363-H367 AromaticContact CD1-CE1 3.28Å; F363-H367 WeakPolarHBondContact CD1-CE1 3.29Å; F363-H367 AromaticContact CD1-CG 3.6Å; F363-H367 AromaticContact CD1-ND1 3.22Å; F363-H367 WeakPolarHBondContact CD1-ND1 3.48Å; F363-H367 AromaticContact CD1-NE2 3.65Å; F363-H367 AromaticContact CE1-CE1 3.3Å; F363-H367 WeakPolarHBondContact CE1-CE1 3.45Å; F363-H367 AromaticContact CE1-ND1 3.65Å; F363-H367 AromaticContact CE1-NE2 3.84Å; F363-H367 HydrophobicContact CG-CB 4.43Å; F363-H367 AromaticContact CG-ND1 3.76Å; D364-H367 VanDerWaalsContact O-CB 3.23Å; D364-H367 WeakPolarHBondContact O-CB 3.34Å; D364-H367 PolarHBondContact O-N 3.45Å; H367-Q369 VanDerWaalsContact C-N 3.25Å; H367-Q369 WeakPolarHBondContact ND1-CB 3.03Å; H367-Q369 PolarHBondContact ND1-N 2.73Å; H367-Q369 PolarHBondContact O-N 2.89Å; H367-Q369 VanDerWaalsContact O-N 3.16Å; H367-Y370 WeakPolarHBondContact O-CB 3.42Å; H367-Y370 PolarHBondContact O-N 2.85Å |
| 368 | P | 92.1 | Very high | 86.4 | Confident | 29 Ų | 29 | 56 Ų | 56 | 19% | 0.188 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -37.2 | 178.5 | -34.4 | 40.4 | 0 | 0 | 0 | 115.2 | I218 Y370 | I218-P368 HydrophobicContact CD1-CG 3.67Å; P368-Y370 VanDerWaalsContact C-N 3.32Å |
| 369 | Q | 91.3 | Very high | 86.1 | Confident | 105 Ų | 105 | 55.2 Ų | 55.2 | 49% | 0.491 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -4.5 | 179.3 | -56.9 | -174.2 | -51.5 | 0 | 0 | 113.7 | F363 H367 | F363-Q369 HydrophobicContact CE1-CB 4.29Å; F363-Q369 HydrophobicContact CE2-CB 4.16Å; F363-Q369 HydrophobicContact CZ-CB 3.99Å; H367-Q369 VanDerWaalsContact C-N 3.25Å; H367-Q369 WeakPolarHBondContact ND1-CB 3.03Å; H367-Q369 PolarHBondContact ND1-N 2.73Å; H367-Q369 PolarHBondContact O-N 2.89Å; H367-Q369 VanDerWaalsContact O-N 3.16Å |
| 370 | Y | 92.9 | Very high | 85.7 | Confident | 3 Ų | 3 | 57.9 Ų | 57.9 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -73.3 | 130.9 | 176.5 | -170.5 | -80.6 | 0 | 0 | 0 | 109.8 | R205 K259 D289 C292 L294 F363 H367 P368 | R205-Y370 PolarHBondContact NH1-O 3.2Å; R205-Y370 PolarHBondContact NH2-O 2.98Å; K259-Y370 WeakPolarHBondContact CD-OH 3.43Å; K259-Y370 WeakPolarHBondContact CE-OH 3.23Å; K259-Y370 PolarHBondContact NZ-OH 3.43Å; D289-Y370 HydrophobicContact CB-CE1 4.21Å; C292-Y370 WeakPolarHBondContact CB-OH 3.22Å; L294-Y370 HydrophobicContact CB-CD2 3.68Å; L294-Y370 HydrophobicContact CB-CE2 3.61Å; F363-Y370 HydrophobicContact CB-CD2 4.26Å; H367-Y370 WeakPolarHBondContact O-CB 3.42Å; H367-Y370 PolarHBondContact O-N 2.85Å; P368-Y370 VanDerWaalsContact C-N 3.32Å |
| 371 | P | 90.4 | Very high | 85.1 | Confident | 56 Ų | 56 | 61.3 Ų | 61.3 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 144.5 | -177.3 | 28.5 | -34.9 | 0 | 0 | 0 | 112.1 | W241 L294 | W241-P371 HydrophobicContact CH2-CG 4.12Å; W241-P371 HydrophobicContact CZ2-CG 4.2Å; L294-P371 VanDerWaalsContact CD2-CD 3.46Å; L294-P371 HydrophobicContact CD2-CG 4.14Å |
| 372 | F | 84.5 | Confident | 84.6 | Confident | 54 Ų | 54 | 58.9 Ų | 58.9 | 24% | 0.237 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 131.4 | 176.3 | -68 | -90.3 | 0 | 0 | 0 | 111.3 | P185 R187 L188 R205 | P185-F372 HydrophobicContact CB-CE2 3.69Å; P185-F372 HydrophobicContact CB-CZ 4.1Å; P185-F372 HydrophobicContact CG-CE2 3.95Å; P185-F372 HydrophobicContact CG-CZ 4.27Å; R187-F372 HydrophobicContact CB-CD1 4.11Å; R187-F372 HydrophobicContact CB-CE1 4.08Å; R187-F372 HydrophobicContact CB-CG 4.48Å; R187-F372 HydrophobicContact CB-CZ 4.44Å; L188-F372 HydrophobicContact CD1-CE1 4.31Å; L188-F372 HydrophobicContact CD1-CZ 3.7Å; L188-F372 HydrophobicContact CD2-CE1 3.66Å; L188-F372 HydrophobicContact CD2-CZ 3.87Å; L188-F372 HydrophobicContact CG-CE1 3.85Å; L188-F372 HydrophobicContact CG-CZ 3.51Å; R205-F372 VanDerWaalsContact NE-CE1 3.26Å |
| 373 | S | 75.7 | Confident | 84 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 16% | 0.161 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 135.7 | 169.3 | -179.8 | 0 | 0 | 0 | 0 | 111 | R187 D289 R375 A376 | R187-S373 PolarHBondContact NH1-O 3.17Å; D289-S373 VanDerWaalsContact OD2-CB 3.31Å; D289-S373 WeakPolarHBondContact OD2-CB 3.42Å; S373-R375 PolarHBondContact O-N 3.31Å; S373-R375 VanDerWaalsContact O-N 3.09Å; S373-R375 PolarHBondContact OG-N 2.99Å; S373-A376 WeakPolarHBondContact O-CB 3.18Å; S373-A376 PolarHBondContact O-N 2.69Å; S373-A376 VanDerWaalsContact O-N 3.07Å |
| 374 | L | 67.9 | Low | 83.3 | Confident | 158 Ų | 158 | 63 Ų | 63 | 83% | 0.827 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -22.5 | 173.9 | -68.4 | 176 | 0 | 0 | 0 | 113.1 | ||
| 375 | R | 61.5 | Low | 82.6 | Confident | 193 Ų | 193 | 63.8 Ų | 63.8 | 73% | 0.728 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -3 | 179.7 | -63.7 | -174.6 | -177.2 | 179.7 | -0.3 | 114.1 | R197 S373 | R197-R375 PolarHBondContact NH1-O 2.96Å; R197-R375 PolarHBondContact NH2-O 2.81Å; S373-R375 PolarHBondContact O-N 3.31Å; S373-R375 VanDerWaalsContact O-N 3.09Å; S373-R375 PolarHBondContact OG-N 2.99Å |
| 376 | A | 54.4 | Low | 81.6 | Confident | 49 Ų | 49 | 67.3 Ų | 67.3 | 41% | 0.405 | 34% | 0.335 | S | S | . | . | trans | -78.8 | 0 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | C198 P288 S373 | C198-A376 PolarHBondContact SG-OXT 3.16Å; P288-A376 HydrophobicContact CG-CB 4.05Å; S373-A376 WeakPolarHBondContact O-CB 3.18Å; S373-A376 PolarHBondContact O-N 2.69Å; S373-A376 VanDerWaalsContact O-N 3.07Å |
Retrieved 376 of 376 residues in 178.8 ms
(Link to these results)