| 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 | 42.8 | Very low | 45.9 | Very low | 236 Ų | 236 | 140.6 Ų | 140.6 | 100% | 1.163 | 75% | 0.752 | S | S | * | * | 0 | 68.3 | 0 | -153.4 | 177.2 | -162.4 | 0 | 0 | 109.1 | |||||
| 2 | Y | 44.2 | Very low | 45.3 | Very low | 218 Ų | 218 | 147.5 Ų | 147.5 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | trans | -160.5 | 58.6 | 176.4 | -101.9 | -81.8 | 0 | 0 | 0 | 109 | ||||
| 3 | T | 47.9 | Very low | 44.9 | Very low | 146 Ų | 146 | 151.7 Ų | 151.7 | 90% | 0.896 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -134.8 | 14.3 | 176.9 | 42.8 | 0 | 0 | 0 | 0 | 112.5 | ||
| 4 | G | 44 | Very low | 44.7 | Very low | 52 Ų | 52 | 146.7 Ų | 146.7 | 54% | 0.536 | 76% | 0.762 | S | S | . | * | S | Bend | trans | -113 | -8.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 5 | T | 49.5 | Very low | 44.8 | Very low | 98 Ų | 98 | 146.7 Ų | 146.7 | 60% | 0.601 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -100.1 | -26.3 | -167.8 | 15.9 | 0 | 0 | 0 | 0 | 114.7 | ||
| 6 | M | 45.2 | Very low | 44 | Very low | 160 Ų | 160 | 152.4 Ų | 152.4 | 79% | 0.788 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -74.7 | -34.7 | 179.6 | -84.4 | -84.9 | 118 | 0 | 0 | 113.1 | K8 | M6-K8 VanDerWaalsContact C-N 3.33Å; M6-K8 PolarHBondContact O-N 3.18Å |
| 7 | L | 46 | Very low | 44 | Very low | 138 Ų | 138 | 148.7 Ų | 148.7 | 72% | 0.723 | 76% | 0.76 | S | S | * | * | H | α-helix | trans | -73.7 | -23.3 | -176 | -153.2 | 71.2 | 0 | 0 | 0 | 113.4 | ||
| 8 | K | 45.2 | Very low | 43.5 | Very low | 160 Ų | 160 | 148.5 Ų | 148.5 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | H | α-helix | trans | -80.6 | -17.6 | -179.6 | -91.5 | 176.8 | 176.4 | 169.1 | 0 | 114.3 | M6 | M6-K8 VanDerWaalsContact C-N 3.33Å; M6-K8 PolarHBondContact O-N 3.18Å |
| 9 | V | 50.5 | Low | 43 | Very low | 103 Ų | 103 | 147.3 Ų | 147.3 | 62% | 0.624 | 77% | 0.767 | S | S | * | * | H | α-helix | trans | -79.5 | -33 | 178.6 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | ||
| 10 | C | 43.8 | Very low | 42.4 | Very low | 104 Ų | 104 | 148.3 Ų | 148.3 | 70% | 0.703 | 77% | 0.768 | S | S | * | * | H | α-helix | trans | -73.6 | -32.4 | 177.9 | -75.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 11 | L | 45.6 | Very low | 41.8 | Very low | 132 Ų | 132 | 150.3 Ų | 150.3 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | H | α-helix | trans | -80.5 | -21.1 | -177.7 | -105.4 | 88.4 | 0 | 0 | 0 | 114.7 | K13 | L11-K13 PolarHBondContact O-N 3.09Å |
| 12 | R | 38.5 | Very low | 41.1 | Very low | 223 Ų | 223 | 146.8 Ų | 146.8 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -11.5 | -174.8 | -95.7 | -174.2 | 175.9 | -157.9 | -0.9 | 115.3 | ||
| 13 | K | 40.7 | Very low | 40.7 | Very low | 202 Ų | 202 | 141.8 Ų | 141.8 | 88% | 0.878 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -3.5 | 177.2 | -81.4 | -166.2 | 175.1 | -174.9 | 0 | 114.6 | L11 | L11-K13 PolarHBondContact O-N 3.09Š|
| 14 | A | 42.3 | Very low | 39.7 | Very low | 82 Ų | 82 | 140 Ų | 140 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -100.5 | -3.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 15 | L | 46.2 | Very low | 38.8 | Very low | 147 Ų | 147 | 140.7 Ų | 140.7 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | -133.2 | 91.4 | -176.9 | -107.4 | 89.2 | 0 | 0 | 0 | 111.5 | ||||
| 16 | W | 32.3 | Very low | 37.8 | Very low | 237 Ų | 237 | 144 Ų | 144 | 90% | 0.898 | 76% | 0.764 | S | S | * | * | -172.4 | 141 | 123.3 | -160.5 | -98.6 | 0 | 0 | 0 | 111 | |||||
| 17 | P | 42.9 | Very low | 36.9 | Very low | 90 Ų | 90 | 146 Ų | 146 | 58% | 0.584 | 76% | 0.763 | S | S | * | * | trans | -96.8 | 161.5 | -169.9 | 37.4 | -33.1 | 0 | 0 | 0 | 113.5 | ||||
| 18 | T | 34.6 | Very low | 36 | Very low | 145 Ų | 145 | 146.3 Ų | 146.3 | 89% | 0.89 | 76% | 0.76 | S | S | * | * | trans | -131.5 | 104.9 | 163.6 | 23.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 19 | V | 34.3 | Very low | 35 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | -48.5 | 134.3 | 154.5 | 169.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 20 | Q | 31.9 | Very low | 34.7 | Very low | 167 Ų | 167 | 144.4 Ų | 144.4 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | trans | -172.1 | 114.1 | 135.1 | -102.9 | 166.8 | 17.8 | 0 | 0 | 114.1 | ||||
| 21 | K | 28.9 | Very low | 33.9 | Very low | 191 Ų | 191 | 143.8 Ų | 143.8 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | trans | 68.9 | 109.2 | 133.9 | -68.3 | 177.6 | 177.3 | 178.9 | 0 | 121.5 | ||||
| 22 | L | 28.4 | Very low | 33.1 | Very low | 161 Ų | 161 | 141.8 Ų | 141.8 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | -62.9 | 153.7 | 144 | -150.2 | 78.9 | 0 | 0 | 0 | 109.7 | ||||
| 23 | P | 35.2 | Very low | 32.6 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | -144.1 | 146.5 | 81.9 | 22.5 | 1.7 | 0 | 0 | 0 | 116.8 | |||||
| 24 | S | 27.2 | Very low | 32.2 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | 17.7 | 138 | 139.6 | 50.8 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 25 | G | 25.7 | Very low | 31.6 | Very low | 68 Ų | 68 | 135.6 Ų | 135.6 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | 147.7 | 128.4 | 135.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 26 | L | 28.8 | Very low | 30.8 | Very low | 167 Ų | 167 | 133.3 Ų | 133.3 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | 73 | 110.6 | 156.2 | -75.4 | 86.7 | 0 | 0 | 0 | 119.4 | ||||
| 27 | R | 24.9 | Very low | 30.6 | Very low | 202 Ų | 202 | 130 Ų | 130 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | 83.3 | 126 | 76.9 | -124.4 | -164.6 | 170.5 | -157.8 | -0.2 | 112.9 | |||||
| 28 | Q | 27.6 | Very low | 29.9 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 67% | 0.673 | 80% | 0.798 | S | S | * | * | trans | 89.6 | 104.8 | 146.8 | -76.7 | 165.5 | -13.4 | 0 | 0 | 120.8 | ||||
| 29 | S | 24.9 | Very low | 29.5 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -59 | 177.6 | 133.1 | -141.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 30 | P | 43.7 | Very low | 29.6 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | cis | -138.5 | -177 | -0 | 35.4 | -13.8 | 0 | 0 | 0 | 113.7 | ||||
| 31 | A | 27.2 | Very low | 29.5 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | 155.2 | 136.3 | 123.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 32 | A | 28 | Very low | 29.8 | Very low | 91 Ų | 91 | 131.6 Ų | 131.6 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | 55.1 | 106.6 | 143.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 33 | A | 29.5 | Very low | 29.9 | Very low | 95 Ų | 95 | 130.4 Ų | 130.4 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | 60.5 | 115.1 | 81.7 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 34 | V | 31.1 | Very low | 29.9 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | -175.8 | 130.4 | 129 | 153.3 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 35 | V | 30.5 | Very low | 30.2 | Very low | 137 Ų | 137 | 140 Ų | 140 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | trans | -73.5 | 134.6 | 174.7 | 168.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 36 | A | 29.9 | Very low | 31 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -148.8 | 113.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 37 | L | 27.2 | Very low | 31.6 | Very low | 168 Ų | 168 | 140.1 Ų | 140.1 | 88% | 0.88 | 81% | 0.811 | S | S | * | * | trans | -82.3 | 129.8 | 172.5 | -150.5 | 94.2 | 0 | 0 | 0 | 108.9 | ||||
| 38 | R | 28 | Very low | 32.2 | Very low | 250 Ų | 250 | 136 Ų | 136 | 94% | 0.943 | 81% | 0.812 | S | S | * | * | trans | -171.4 | 120.7 | 155.3 | -109.8 | 173.7 | -173.4 | 156.6 | 2.8 | 112.9 | ||||
| 39 | L | 26.3 | Very low | 33.2 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | trans | -91.1 | 173.9 | 152 | -92.2 | 130.8 | 0 | 0 | 0 | 108.4 | ||||
| 40 | P | 36.8 | Very low | 33.6 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | cis | -128 | 165 | -13 | 34.4 | -16.4 | 0 | 0 | 0 | 112.9 | ||||
| 41 | G | 28.8 | Very low | 33.8 | Very low | 73 Ų | 73 | 144.6 Ų | 144.6 | 75% | 0.753 | 83% | 0.833 | S | S | * | * | trans | -173.6 | 113.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 42 | T | 35.8 | Very low | 34.5 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 87% | 0.871 | 83% | 0.827 | S | S | * | * | trans | -65.4 | 121.6 | 178.2 | 42 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 43 | T | 29.8 | Very low | 35.6 | Very low | 136 Ų | 136 | 145.5 Ų | 145.5 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | trans | -148.1 | 124.6 | 148.8 | 36.5 | 0 | 0 | 0 | 0 | 109.8 | H45 | T43-H45 PolarHBondContact O-N 3.5Š| ||
| 44 | R | 37.2 | Very low | 36.2 | Very low | 244 Ų | 244 | 148.4 Ų | 148.4 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | trans | -60.9 | 122.9 | 170.4 | -74.4 | 174.2 | 174.4 | 172 | -2.8 | 109.1 | ||||
| 45 | H | 32.5 | Very low | 37 | Very low | 180 Ų | 180 | 145.4 Ų | 145.4 | 83% | 0.833 | 83% | 0.827 | S | S | * | * | trans | -143.5 | 105 | 149.7 | -105.2 | -86.1 | 0 | 0 | 0 | 107.1 | T43 P47 | T43-H45 PolarHBondContact O-N 3.5Å; H45-P47 WeakPolarHBondContact O-CD 3.24Å | ||
| 46 | S | 42.4 | Very low | 37.5 | Very low | 114 Ų | 114 | 146.5 Ų | 146.5 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | -73.3 | 134.2 | 160.1 | -62.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 47 | P | 41.9 | Very low | 38.3 | Very low | 122 Ų | 122 | 149.5 Ų | 149.5 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | trans | -115.7 | 118.1 | 137 | 16.2 | 1.5 | 0 | 0 | 0 | 108.6 | H45 | H45-P47 WeakPolarHBondContact O-CD 3.24Š| ||
| 48 | C | 38.1 | Very low | 39.4 | Very low | 115 Ų | 115 | 147 Ų | 147 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | trans | -52 | 138.4 | 166.8 | -90.9 | 0 | 0 | 0 | 0 | 111.2 | W50 | C48-W50 PolarHBondContact O-N 3.11Š| ||
| 49 | C | 47.7 | Very low | 40.6 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | 21.8 | 82.2 | 149.7 | -82.2 | 0 | 0 | 0 | 0 | 116 | M51 | C49-M51 VanDerWaalsContact C-N 3.26Å; C49-M51 PolarHBondContact O-N 3.44Å | ||
| 50 | W | 34.1 | Very low | 42 | Very low | 255 Ų | 255 | 143 Ų | 143 | 97% | 0.966 | 79% | 0.791 | S | S | * | * | trans | -84.6 | 85.1 | 144 | -92 | 32.5 | 0 | 0 | 0 | 107.5 | C48 G52 | C48-W50 PolarHBondContact O-N 3.11Å; W50-G52 PolarHBondContact O-N 3.38Å | ||
| 51 | M | 47.1 | Very low | 43.3 | Very low | 180 Ų | 180 | 142.1 Ų | 142.1 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | trans | -68.9 | 80 | 165 | -149.4 | 149.3 | 165.3 | 0 | 0 | 106 | C49 T53 | C49-M51 VanDerWaalsContact C-N 3.26Å; C49-M51 PolarHBondContact O-N 3.44Å; M51-T53 PolarHBondContact O-N 2.98Å | ||
| 52 | G | 41.4 | Very low | 45.5 | Very low | 60 Ų | 60 | 142.4 Ų | 142.4 | 62% | 0.619 | 76% | 0.763 | S | S | * | * | trans | -62 | 110.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 108 | W50 H54 | W50-G52 PolarHBondContact O-N 3.38Å; G52-H54 PolarHBondContact O-N 3.39Å | ||
| 53 | T | 50.9 | Low | 47.4 | Very low | 140 Ų | 140 | 140.3 Ų | 140.3 | 86% | 0.859 | 75% | 0.746 | S | S | * | * | trans | -62.3 | 92.8 | 157.2 | 50.9 | 0 | 0 | 0 | 0 | 106 | M51 G55 | M51-T53 PolarHBondContact O-N 2.98Å; T53-G55 PolarHBondContact O-N 3.27Å | ||
| 54 | H | 42.1 | Very low | 49.7 | Very low | 157 Ų | 157 | 140 Ų | 140 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | -67.1 | 85.4 | 171.9 | -129.1 | -63.7 | 0 | 0 | 0 | 106.6 | G52 R56 | G52-H54 PolarHBondContact O-N 3.39Å; H54-R56 WeakPolarHBondContact ND1-CB 3.39Å; H54-R56 PolarHBondContact O-N 3.13Å | ||
| 55 | G | 49.1 | Very low | 52.1 | Low | 81 Ų | 81 | 129.4 Ų | 129.4 | 84% | 0.835 | 70% | 0.703 | S | S | * | * | trans | -70.7 | 48.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | T53 N57 | T53-G55 PolarHBondContact O-N 3.27Å; G55-N57 PolarHBondContact O-N 3.03Å | ||
| 56 | R | 40.6 | Very low | 54.7 | Low | 160 Ų | 160 | 126 Ų | 126 | 60% | 0.604 | 70% | 0.696 | S | S | * | * | trans | -91.7 | 100.8 | 169.2 | -159.1 | 174.5 | 161.6 | 167.8 | -11.5 | 104.6 | H54 E58 | H54-R56 WeakPolarHBondContact ND1-CB 3.39Å; H54-R56 PolarHBondContact O-N 3.13Å; R56-E58 HydrophobicContact CB-CG 4.22Å; R56-E58 HydrophobicContact CG-CG 3.59Å; R56-E58 IonicContact CZ-OE1 2.95Å; R56-E58 VanDerWaalsContact NE-CG 3.31Å; R56-E58 IonicContact NE-OE1 3Å; R56-E58 PolarHBondContact NE-OE1 3.32Å; R56-E58 IonicContact NH1-OE1 3.88Å; R56-E58 IonicContact NH2-OE1 2.63Å; R56-E58 PolarHBondContact NH2-OE1 3Å; R56-E58 PolarHBondContact O-N 2.92Å | ||
| 57 | N | 46.7 | Very low | 56.7 | Low | 163 Ų | 163 | 128 Ų | 128 | 87% | 0.872 | 69% | 0.691 | S | S | * | * | trans | -55 | 76 | 144.9 | -86.3 | -26.2 | 0 | 0 | 0 | 106.4 | G55 P59 | G55-N57 PolarHBondContact O-N 3.03Å; N57-P59 VanDerWaalsContact O-CD 3.23Å; N57-P59 WeakPolarHBondContact O-CD 3.42Å | ||
| 58 | E | 49.6 | Very low | 58.7 | Low | 116 Ų | 116 | 126.7 Ų | 126.7 | 54% | 0.542 | 67% | 0.67 | S | S | . | * | trans | -65.3 | 116.4 | 157.1 | -76.2 | -140.2 | 122.8 | 0 | 0 | 104.4 | R56 R60 | R56-E58 HydrophobicContact CB-CG 4.22Å; R56-E58 HydrophobicContact CG-CG 3.59Å; R56-E58 IonicContact CZ-OE1 2.95Å; R56-E58 VanDerWaalsContact NE-CG 3.31Å; R56-E58 IonicContact NE-OE1 3Å; R56-E58 PolarHBondContact NE-OE1 3.32Å; R56-E58 IonicContact NH1-OE1 3.88Å; R56-E58 IonicContact NH2-OE1 2.63Å; R56-E58 PolarHBondContact NH2-OE1 3Å; R56-E58 PolarHBondContact O-N 2.92Å; E58-R60 PolarHBondContact O-N 3.49Å | ||
| 59 | P | 54.3 | Low | 61.1 | Low | 113 Ų | 113 | 122.7 Ų | 122.7 | 73% | 0.734 | 65% | 0.645 | S | S | * | * | trans | -52.7 | 116.5 | 164.9 | -13.4 | 27 | 0 | 0 | 0 | 104.3 | N57 E61 | N57-P59 VanDerWaalsContact O-CD 3.23Å; N57-P59 WeakPolarHBondContact O-CD 3.42Å; P59-E61 VanDerWaalsContact C-N 3.27Å; P59-E61 PolarHBondContact O-N 3.43Å | ||
| 60 | R | 55.5 | Low | 63.1 | Low | 217 Ų | 217 | 123.2 Ų | 123.2 | 82% | 0.819 | 63% | 0.634 | S | S | * | * | trans | -53.5 | 100.6 | 174.4 | -89.6 | -179.3 | 148 | 168 | -4.4 | 106.1 | E58 T62 | E58-R60 PolarHBondContact O-N 3.49Å; R60-T62 PolarHBondContact O-N 2.69Å | ||
| 61 | E | 64.4 | Low | 65.6 | Low | 103 Ų | 103 | 115.8 Ų | 115.8 | 48% | 0.481 | 61% | 0.61 | S | S | . | * | trans | -54.3 | 119.6 | -176.9 | -80.6 | -168.3 | -175.1 | 0 | 0 | 106.5 | P59 S65 R68 | P59-E61 VanDerWaalsContact C-N 3.27Å; P59-E61 PolarHBondContact O-N 3.43Å; E61-S65 WeakPolarHBondContact OE2-CB 3.38Å; E61-S65 PolarHBondContact OE2-OG 3.39Å; E61-R68 WeakPolarHBondContact O-CD 3.39Å; E61-R68 PolarHBondContact O-NE 3.03Å; E61-R68 PolarHBondContact O-NH1 2.98Å | ||
| 62 | T | 74.3 | Confident | 67.6 | Low | 79 Ų | 79 | 111.5 Ų | 111.5 | 49% | 0.485 | 59% | 0.587 | S | S | . | * | trans | -66.1 | 162 | -177 | 31.4 | 0 | 0 | 0 | 0 | 110.4 | R60 N64 S65 | R60-T62 PolarHBondContact O-N 2.69Å; T62-N64 VanDerWaalsContact C-OD1 3.27Å; T62-N64 WeakPolarHBondContact CB-OD1 3.31Å; T62-N64 PolarHBondContact O-N 2.94Å; T62-N64 PolarHBondContact O-OD1 3.28Å; T62-N64 VanDerWaalsContact O-OD1 3.06Å; T62-N64 PolarHBondContact OG1-ND2 3.49Å; T62-N64 VanDerWaalsContact OG1-ND2 3.08Å; T62-N64 PolarHBondContact OG1-OD1 3.3Å; T62-S65 WeakPolarHBondContact O-CB 3.35Å; T62-S65 PolarHBondContact O-N 3.5Å | ||
| 63 | L | 75.3 | Confident | 69.9 | Low | 97 Ų | 97 | 112.8 Ų | 112.8 | 51% | 0.508 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.1 | -5.3 | 178 | -82.6 | 163.8 | 0 | 0 | 0 | 113.4 | S65 R68 F72 | L63-S65 PolarHBondContact O-N 2.94Å; L63-R68 HydrophobicContact CD2-CG 4.13Å; L63-F72 HydrophobicContact CD2-CB 3.98Å; L63-F72 HydrophobicContact CD2-CG 4.25Å |
| 64 | N | 78.4 | Confident | 71.7 | Confident | 131 Ų | 131 | 113.7 Ų | 113.7 | 70% | 0.701 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -12.3 | 167.5 | 65.8 | -6.7 | 0 | 0 | 0 | 113.5 | T62 | T62-N64 VanDerWaalsContact C-OD1 3.27Å; T62-N64 WeakPolarHBondContact CB-OD1 3.31Å; T62-N64 PolarHBondContact O-N 2.94Å; T62-N64 PolarHBondContact O-OD1 3.28Å; T62-N64 VanDerWaalsContact O-OD1 3.06Å; T62-N64 PolarHBondContact OG1-ND2 3.49Å; T62-N64 VanDerWaalsContact OG1-ND2 3.08Å; T62-N64 PolarHBondContact OG1-OD1 3.3Å |
| 65 | S | 87.7 | Confident | 74 | Confident | 21 Ų | 21 | 115.1 Ų | 115.1 | 15% | 0.147 | 57% | 0.567 | C | S | . | * | S | Bend | trans | -78.4 | 127.6 | 172.7 | 173 | 0 | 0 | 0 | 0 | 109.7 | E61 T62 L63 K67 R68 A69 | E61-S65 WeakPolarHBondContact OE2-CB 3.38Å; E61-S65 PolarHBondContact OE2-OG 3.39Å; T62-S65 WeakPolarHBondContact O-CB 3.35Å; T62-S65 PolarHBondContact O-N 3.5Å; L63-S65 PolarHBondContact O-N 2.94Å; S65-K67 PolarHBondContact O-N 2.9Å; S65-K67 VanDerWaalsContact O-N 3.15Å; S65-K67 PolarHBondContact OG-N 3.04Å; S65-R68 PolarHBondContact O-N 3.42Å; S65-R68 VanDerWaalsContact O-N 3.14Å; S65-A69 PolarHBondContact O-N 3.21Å |
| 66 | P | 86.2 | Confident | 75.9 | Confident | 107 Ų | 107 | 112.7 Ų | 112.7 | 70% | 0.695 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.4 | -28.7 | 179.3 | 23.9 | -33.3 | 0 | 0 | 0 | 112.1 | K70 | P66-K70 VanDerWaalsContact O-CB 3.28Å; P66-K70 WeakPolarHBondContact O-CB 3.46Å; P66-K70 PolarHBondContact O-N 3.46Å |
| 67 | K | 85.5 | Confident | 78.2 | Confident | 158 Ų | 158 | 110.2 Ų | 110.2 | 69% | 0.687 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.7 | -49.7 | 176.5 | -66.9 | -179.4 | -179.4 | 175.5 | 0 | 111.4 | S65 K70 E71 | S65-K67 PolarHBondContact O-N 2.9Å; S65-K67 VanDerWaalsContact O-N 3.15Å; S65-K67 PolarHBondContact OG-N 3.04Å; K67-K70 PolarHBondContact O-N 2.91Å; K67-E71 PolarHBondContact O-N 3.03Å |
| 68 | R | 84.1 | Confident | 80.2 | Confident | 93 Ų | 93 | 105.7 Ų | 105.7 | 35% | 0.351 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.3 | -37.1 | -178.8 | -166.2 | 176 | -175.1 | -162.9 | 1.5 | 112.4 | E61 L63 S65 K70 E71 F72 | E61-R68 WeakPolarHBondContact O-CD 3.39Å; E61-R68 PolarHBondContact O-NE 3.03Å; E61-R68 PolarHBondContact O-NH1 2.98Å; L63-R68 HydrophobicContact CD2-CG 4.13Å; S65-R68 PolarHBondContact O-N 3.42Å; S65-R68 VanDerWaalsContact O-N 3.14Å; R68-K70 VanDerWaalsContact C-N 3.32Å; R68-K70 PolarHBondContact O-N 3.12Å; R68-E71 PolarHBondContact O-N 2.75Å; R68-F72 WeakPolarHBondContact O-CB 3.4Å; R68-F72 PolarHBondContact O-N 3.08Å |
| 69 | A | 88.3 | Confident | 81.9 | Confident | 32 Ų | 32 | 105.8 Ų | 105.8 | 26% | 0.264 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | S65 E71 F72 I73 | S65-A69 PolarHBondContact O-N 3.21Å; A69-E71 PolarHBondContact O-N 3.11Å; A69-F72 PolarHBondContact O-N 3.43Å; A69-I73 WeakPolarHBondContact O-CD1 3.25Å; A69-I73 VanDerWaalsContact O-CG1 3.26Å; A69-I73 WeakPolarHBondContact O-CG1 3.48Å; A69-I73 PolarHBondContact O-N 2.83Å |
| 70 | K | 88.9 | Confident | 83.5 | Confident | 124 Ų | 124 | 105.1 Ų | 105.1 | 54% | 0.539 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.5 | -45.1 | 176.1 | -164.4 | -173.2 | -170.5 | -171.9 | 0 | 111.8 | P66 K67 R68 F72 I73 Y74 | P66-K70 VanDerWaalsContact O-CB 3.28Å; P66-K70 WeakPolarHBondContact O-CB 3.46Å; P66-K70 PolarHBondContact O-N 3.46Å; K67-K70 PolarHBondContact O-N 2.91Å; R68-K70 VanDerWaalsContact C-N 3.32Å; R68-K70 PolarHBondContact O-N 3.12Å; K70-F72 VanDerWaalsContact C-N 3.34Å; K70-F72 PolarHBondContact O-N 3.36Å; K70-I73 PolarHBondContact O-N 3.15Å; K70-Y74 HydrophobicContact CD-CE2 3.96Å; K70-Y74 HydrophobicContact CG-CD2 4.06Å; K70-Y74 HydrophobicContact CG-CE2 3.64Å; K70-Y74 WeakPolarHBondContact O-CD2 3.21Å; K70-Y74 PolarHBondContact O-N 2.86Å |
| 71 | E | 87.4 | Confident | 85.1 | Confident | 99 Ų | 99 | 98.8 Ų | 98.8 | 46% | 0.463 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 177.1 | -166 | -172.3 | 168.2 | 0 | 0 | 112.2 | K67 R68 A69 Y74 R75 | K67-E71 PolarHBondContact O-N 3.03Å; R68-E71 PolarHBondContact O-N 2.75Å; A69-E71 PolarHBondContact O-N 3.11Å; E71-Y74 PolarHBondContact O-N 3.04Å; E71-R75 PolarHBondContact O-N 2.6Å; E71-R75 IonicContact OE1-CZ 3.64Å; E71-R75 IonicContact OE1-NE 3.92Å; E71-R75 IonicContact OE1-NH2 2.71Å; E71-R75 PolarHBondContact OE1-NH2 2.79Å |
| 72 | F | 88.6 | Confident | 86.3 | Confident | 90 Ų | 90 | 98.3 Ų | 98.3 | 40% | 0.395 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.4 | -47.4 | 174.9 | 178.8 | -109 | 0 | 0 | 0 | 111.5 | L63 R68 A69 K70 Y74 R75 L76 L84 | L63-F72 HydrophobicContact CD2-CB 3.98Å; L63-F72 HydrophobicContact CD2-CG 4.25Å; R68-F72 WeakPolarHBondContact O-CB 3.4Å; R68-F72 PolarHBondContact O-N 3.08Å; A69-F72 PolarHBondContact O-N 3.43Å; K70-F72 VanDerWaalsContact C-N 3.34Å; K70-F72 PolarHBondContact O-N 3.36Å; F72-Y74 VanDerWaalsContact C-N 3.26Å; F72-Y74 PolarHBondContact O-N 2.79Å; F72-R75 PolarHBondContact O-N 2.99Å; F72-L76 HydrophobicContact CD1-CD1 4.29Å; F72-L76 HydrophobicContact CE1-CD1 3.88Å; F72-L76 HydrophobicContact CE1-CG 4.47Å; F72-L76 HydrophobicContact CZ-CD1 4.33Å; F72-L76 HydrophobicContact CZ-CD2 4.18Å; F72-L84 HydrophobicContact CE1-CD2 3.88Å |
| 73 | I | 89.9 | Confident | 87.1 | Confident | 87 Ų | 87 | 98.3 Ų | 98.3 | 45% | 0.446 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.5 | -36.8 | 177.7 | -66.9 | 163.1 | 0 | 0 | 0 | 111.6 | A69 K70 R75 L76 R81 | A69-I73 WeakPolarHBondContact O-CD1 3.25Å; A69-I73 VanDerWaalsContact O-CG1 3.26Å; A69-I73 WeakPolarHBondContact O-CG1 3.48Å; A69-I73 PolarHBondContact O-N 2.83Å; K70-I73 PolarHBondContact O-N 3.15Å; I73-R75 VanDerWaalsContact C-N 3.27Å; I73-R75 PolarHBondContact O-N 2.91Å; I73-L76 PolarHBondContact O-N 2.94Å; I73-R81 HydrophobicContact CG2-CG 4.39Å; I73-R81 PolarHBondContact O-NE 3.41Å; I73-R81 PolarHBondContact O-NH2 3.47Å |
| 74 | Y | 89.5 | Confident | 87.8 | Confident | 160 Ų | 160 | 97 Ų | 97 | 63% | 0.627 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.4 | -28.4 | 177.6 | -83.4 | -65.2 | 0 | 0 | 0 | 113.6 | K70 E71 F72 L76 R81 | K70-Y74 HydrophobicContact CD-CE2 3.96Å; K70-Y74 HydrophobicContact CG-CD2 4.06Å; K70-Y74 HydrophobicContact CG-CE2 3.64Å; K70-Y74 WeakPolarHBondContact O-CD2 3.21Å; K70-Y74 PolarHBondContact O-N 2.86Å; E71-Y74 PolarHBondContact O-N 3.04Å; F72-Y74 VanDerWaalsContact C-N 3.26Å; F72-Y74 PolarHBondContact O-N 2.79Å; Y74-L76 VanDerWaalsContact C-N 3.35Å; Y74-R81 PolarHBondContact O-NH2 3.1Å |
| 75 | R | 89 | Confident | 88.4 | Confident | 187 Ų | 187 | 95.7 Ų | 95.7 | 71% | 0.706 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -77.2 | -20.3 | 178.1 | -65.2 | 178.7 | -172.3 | -177.3 | 1.8 | 113.5 | E71 F72 I73 | E71-R75 PolarHBondContact O-N 2.6Å; E71-R75 IonicContact OE1-CZ 3.64Å; E71-R75 IonicContact OE1-NE 3.92Å; E71-R75 IonicContact OE1-NH2 2.71Å; E71-R75 PolarHBondContact OE1-NH2 2.79Å; F72-R75 PolarHBondContact O-N 2.99Å; I73-R75 VanDerWaalsContact C-N 3.27Å; I73-R75 PolarHBondContact O-N 2.91Å |
| 76 | L | 89.1 | Confident | 88.5 | Confident | 29 Ų | 29 | 100.2 Ų | 100.2 | 15% | 0.152 | 49% | 0.487 | C | S | . | . | S | Bend | trans | -77.7 | 145.1 | -180 | -62.4 | 175.8 | 0 | 0 | 0 | 112.1 | F72 I73 Y74 E80 R81 L84 | F72-L76 HydrophobicContact CD1-CD1 4.29Å; F72-L76 HydrophobicContact CE1-CD1 3.88Å; F72-L76 HydrophobicContact CE1-CG 4.47Å; F72-L76 HydrophobicContact CZ-CD1 4.33Å; F72-L76 HydrophobicContact CZ-CD2 4.18Å; I73-L76 PolarHBondContact O-N 2.94Å; Y74-L76 VanDerWaalsContact C-N 3.35Å; L76-E80 VanDerWaalsContact CA-OE2 3.31Å; L76-E80 WeakPolarHBondContact CA-OE2 3.3Å; L76-E80 HydrophobicContact CB-CB 4.16Å; L76-E80 HydrophobicContact CD2-CB 4.35Å; L76-R81 HydrophobicContact CB-CG 3.73Å; L76-R81 HydrophobicContact CD1-CG 4.32Å; L76-R81 PolarHBondContact O-NE 3.12Å; L76-R81 PolarHBondContact O-NH1 2.84Å; L76-R81 PolarHBondContact O-NH2 3.23Å; L76-L84 HydrophobicContact CD1-CD2 3.58Å |
| 77 | H | 88.8 | Confident | 88.6 | Confident | 108 Ų | 108 | 100 Ų | 100 | 50% | 0.5 | 48% | 0.477 | S | S | . | . | trans | -69.6 | 151.2 | 169.2 | -166.4 | -96.6 | 0 | 0 | 0 | 110.6 | N79 E80 R81 | H77-N79 PolarHBondContact O-N 2.87Å; H77-N79 VanDerWaalsContact O-N 3.11Å; H77-E80 HydrophobicContact CB-CB 4.49Å; H77-E80 HydrophobicContact CB-CG 4.04Å; H77-E80 PolarHBondContact N-OE2 3.23Å; H77-E80 WeakPolarHBondContact O-CB 3.42Å; H77-E80 PolarHBondContact O-N 2.97Å; H77-R81 PolarHBondContact O-N 3.05Å | ||
| 78 | P | 88.5 | Confident | 88.7 | Confident | 69 Ų | 69 | 96.8 Ų | 96.8 | 45% | 0.448 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -47 | -42 | 177.4 | -32 | 34.9 | 0 | 0 | 0 | 115.1 | R81 T82 | P78-R81 PolarHBondContact O-N 3.46Å; P78-T82 PolarHBondContact O-N 2.95Å; P78-T82 PolarHBondContact O-OG1 3.39Å |
| 79 | N | 86.8 | Confident | 89 | Confident | 118 Ų | 118 | 97.8 Ų | 97.8 | 63% | 0.631 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67.3 | -37.7 | 177.8 | -62.7 | -15.7 | 0 | 0 | 0 | 112.8 | H77 R81 T82 C83 | H77-N79 PolarHBondContact O-N 2.87Å; H77-N79 VanDerWaalsContact O-N 3.11Å; N79-R81 VanDerWaalsContact C-N 3.32Å; N79-T82 PolarHBondContact O-N 2.85Å; N79-C83 WeakPolarHBondContact O-CB 3.42Å; N79-C83 PolarHBondContact O-N 3.43Å |
| 80 | E | 86.4 | Confident | 88.9 | Confident | 99 Ų | 99 | 99 Ų | 99 | 46% | 0.463 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.5 | -36.8 | 177.1 | -64.3 | 172.6 | 167.2 | 0 | 0 | 111 | L76 H77 C83 L84 | L76-E80 VanDerWaalsContact CA-OE2 3.31Å; L76-E80 WeakPolarHBondContact CA-OE2 3.3Å; L76-E80 HydrophobicContact CB-CB 4.16Å; L76-E80 HydrophobicContact CD2-CB 4.35Å; H77-E80 HydrophobicContact CB-CB 4.49Å; H77-E80 HydrophobicContact CB-CG 4.04Å; H77-E80 PolarHBondContact N-OE2 3.23Å; H77-E80 WeakPolarHBondContact O-CB 3.42Å; H77-E80 PolarHBondContact O-N 2.97Å; E80-C83 PolarHBondContact O-N 3.48Å; E80-L84 WeakPolarHBondContact O-CB 3.42Å; E80-L84 PolarHBondContact O-N 3.11Å |
| 81 | R | 90.8 | Very high | 88.6 | Confident | 84 Ų | 84 | 97.2 Ų | 97.2 | 32% | 0.317 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 175.7 | -64.1 | 178.1 | -173.8 | 120 | 1.8 | 111.6 | I73 Y74 L76 H77 P78 N79 L85 | I73-R81 HydrophobicContact CG2-CG 4.39Å; I73-R81 PolarHBondContact O-NE 3.41Å; I73-R81 PolarHBondContact O-NH2 3.47Å; Y74-R81 PolarHBondContact O-NH2 3.1Å; L76-R81 HydrophobicContact CB-CG 3.73Å; L76-R81 HydrophobicContact CD1-CG 4.32Å; L76-R81 PolarHBondContact O-NE 3.12Å; L76-R81 PolarHBondContact O-NH1 2.84Å; L76-R81 PolarHBondContact O-NH2 3.23Å; H77-R81 PolarHBondContact O-N 3.05Å; P78-R81 PolarHBondContact O-N 3.46Å; N79-R81 VanDerWaalsContact C-N 3.32Å; R81-L85 WeakPolarHBondContact O-CB 3.43Å; R81-L85 PolarHBondContact O-N 2.96Å |
| 82 | T | 89.6 | Confident | 88.3 | Confident | 92 Ų | 92 | 98.3 Ų | 98.3 | 56% | 0.564 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.6 | -45.3 | 179.5 | -51.1 | 0 | 0 | 0 | 0 | 111.4 | P78 N79 L85 Q86 | P78-T82 PolarHBondContact O-N 2.95Å; P78-T82 PolarHBondContact O-OG1 3.39Å; N79-T82 PolarHBondContact O-N 2.85Å; T82-L85 PolarHBondContact O-N 3.04Å; T82-Q86 PolarHBondContact O-N 3.24Å; T82-Q86 VanDerWaalsContact O-N 3.1Å |
| 83 | C | 89.6 | Confident | 87.9 | Confident | 80 Ų | 80 | 97.2 Ų | 97.2 | 54% | 0.541 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.6 | -47 | 177.1 | -172.5 | 0 | 0 | 0 | 0 | 111.5 | N79 E80 L85 Q86 E87 | N79-C83 WeakPolarHBondContact O-CB 3.42Å; N79-C83 PolarHBondContact O-N 3.43Å; E80-C83 PolarHBondContact O-N 3.48Å; C83-L85 PolarHBondContact O-N 3.4Å; C83-Q86 PolarHBondContact O-N 3.28Å; C83-E87 PolarHBondContact O-N 2.97Å |
| 84 | L | 90.4 | Very high | 87.3 | Confident | 68 Ų | 68 | 98.5 Ų | 98.5 | 36% | 0.356 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 178.3 | -179.1 | 66.5 | 0 | 0 | 0 | 111.9 | F72 L76 E80 Q86 E87 L88 | F72-L84 HydrophobicContact CE1-CD2 3.88Å; L76-L84 HydrophobicContact CD1-CD2 3.58Å; E80-L84 WeakPolarHBondContact O-CB 3.42Å; E80-L84 PolarHBondContact O-N 3.11Å; L84-Q86 VanDerWaalsContact C-N 3.33Å; L84-Q86 PolarHBondContact O-N 3.24Å; L84-E87 PolarHBondContact O-N 3.5Å; L84-L88 HydrophobicContact CD1-CD1 4.29Å; L84-L88 HydrophobicContact CD1-CG 4.29Å; L84-L88 HydrophobicContact CG-CD1 4.01Å; L84-L88 HydrophobicContact CG-CG 4.42Å; L84-L88 WeakPolarHBondContact O-CB 3.33Å; L84-L88 VanDerWaalsContact O-CG 3.25Å; L84-L88 WeakPolarHBondContact O-CG 3.47Å; L84-L88 PolarHBondContact O-N 3.47Å |
| 85 | L | 91.5 | Very high | 86.5 | Confident | 105 Ų | 105 | 92.4 Ų | 92.4 | 55% | 0.55 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.8 | -46.7 | 176.8 | -172.8 | 90.2 | 0 | 0 | 0 | 111 | R81 T82 C83 L88 Q89 | R81-L85 WeakPolarHBondContact O-CB 3.43Å; R81-L85 PolarHBondContact O-N 2.96Å; T82-L85 PolarHBondContact O-N 3.04Å; C83-L85 PolarHBondContact O-N 3.4Å; L85-L88 PolarHBondContact O-N 3.07Å; L85-Q89 WeakPolarHBondContact O-CG 3.48Å; L85-Q89 PolarHBondContact O-N 2.95Å |
| 86 | Q | 90.1 | Very high | 85.8 | Confident | 115 Ų | 115 | 88.8 Ų | 88.8 | 54% | 0.537 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 179.8 | -177 | 177.2 | -2.1 | 0 | 0 | 111.5 | T82 C83 L84 L88 Q89 I90 | T82-Q86 PolarHBondContact O-N 3.24Å; T82-Q86 VanDerWaalsContact O-N 3.1Å; C83-Q86 PolarHBondContact O-N 3.28Å; L84-Q86 VanDerWaalsContact C-N 3.33Å; L84-Q86 PolarHBondContact O-N 3.24Å; Q86-L88 PolarHBondContact O-N 2.95Å; Q86-Q89 PolarHBondContact O-N 3.19Å; Q86-I90 HydrophobicContact CG-CD1 4.15Å; Q86-I90 WeakPolarHBondContact O-CG1 3.48Å; Q86-I90 PolarHBondContact O-N 3.4Å |
| 87 | E | 87.4 | Confident | 84.9 | Confident | 103 Ų | 103 | 90.9 Ų | 90.9 | 48% | 0.481 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.3 | -35.5 | -178.3 | -157.3 | 59.9 | -153 | 0 | 0 | 112.2 | C83 L84 I90 F91 | C83-E87 PolarHBondContact O-N 2.97Å; L84-E87 PolarHBondContact O-N 3.5Å; E87-I90 PolarHBondContact O-N 2.87Å; E87-F91 WeakPolarHBondContact O-CB 3.48Å; E87-F91 PolarHBondContact O-N 3Å |
| 88 | L | 88.4 | Confident | 83.7 | Confident | 91 Ų | 91 | 88 Ų | 88 | 48% | 0.476 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 172.5 | -74.8 | 173 | 0 | 0 | 0 | 111.8 | L84 L85 Q86 I90 F91 E92 | L84-L88 HydrophobicContact CD1-CD1 4.29Å; L84-L88 HydrophobicContact CD1-CG 4.29Å; L84-L88 HydrophobicContact CG-CD1 4.01Å; L84-L88 HydrophobicContact CG-CG 4.42Å; L84-L88 WeakPolarHBondContact O-CB 3.33Å; L84-L88 VanDerWaalsContact O-CG 3.25Å; L84-L88 WeakPolarHBondContact O-CG 3.47Å; L84-L88 PolarHBondContact O-N 3.47Å; L85-L88 PolarHBondContact O-N 3.07Å; Q86-L88 PolarHBondContact O-N 2.95Å; L88-I90 VanDerWaalsContact C-N 3.34Å; L88-I90 PolarHBondContact O-N 3.01Å; L88-F91 WeakPolarHBondContact O-CB 3.32Å; L88-F91 PolarHBondContact O-N 3.28Å; L88-E92 WeakPolarHBondContact O-CG 3.39Å; L88-E92 PolarHBondContact O-N 3.3Å |
| 89 | Q | 90.3 | Very high | 82.3 | Confident | 114 Ų | 114 | 91.7 Ų | 91.7 | 53% | 0.533 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 175.5 | -73.5 | 175.1 | -26 | 0 | 0 | 111.7 | L85 Q86 F91 E92 S93 | L85-Q89 WeakPolarHBondContact O-CG 3.48Å; L85-Q89 PolarHBondContact O-N 2.95Å; Q86-Q89 PolarHBondContact O-N 3.19Å; Q89-F91 VanDerWaalsContact C-N 3.34Å; Q89-E92 PolarHBondContact O-N 2.99Å; Q89-S93 WeakPolarHBondContact O-CB 3.32Å; Q89-S93 PolarHBondContact O-N 3.39Å; Q89-S93 PolarHBondContact O-OG 3.08Å |
| 90 | I | 85.2 | Confident | 80.8 | Confident | 56 Ų | 56 | 92.3 Ų | 92.3 | 29% | 0.287 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 174.2 | -68.8 | 166 | 0 | 0 | 0 | 109.9 | Q86 E87 L88 S93 K94 | Q86-I90 HydrophobicContact CG-CD1 4.15Å; Q86-I90 WeakPolarHBondContact O-CG1 3.48Å; Q86-I90 PolarHBondContact O-N 3.4Å; E87-I90 PolarHBondContact O-N 2.87Å; L88-I90 VanDerWaalsContact C-N 3.34Å; L88-I90 PolarHBondContact O-N 3.01Å; I90-S93 PolarHBondContact O-N 2.78Å; I90-S93 PolarHBondContact O-OG 2.92Å; I90-K94 HydrophobicContact CG2-CD 4.13Å; I90-K94 WeakPolarHBondContact O-CG 3.25Å; I90-K94 PolarHBondContact O-N 2.68Å |
| 91 | F | 82.4 | Confident | 79.3 | Confident | 87 Ų | 87 | 93.5 Ų | 93.5 | 38% | 0.382 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 179.2 | -168.7 | -91.3 | 0 | 0 | 0 | 112.5 | E87 L88 Q89 K94 A95 P190 | E87-F91 WeakPolarHBondContact O-CB 3.48Å; E87-F91 PolarHBondContact O-N 3Å; L88-F91 WeakPolarHBondContact O-CB 3.32Å; L88-F91 PolarHBondContact O-N 3.28Å; Q89-F91 VanDerWaalsContact C-N 3.34Å; F91-K94 PolarHBondContact O-N 3.37Å; F91-A95 WeakPolarHBondContact O-CB 3.46Å; F91-A95 PolarHBondContact O-N 3.4Å; F91-P190 HydrophobicContact CD1-CB 4.17Å; F91-P190 HydrophobicContact CD1-CG 4.17Å; F91-P190 HydrophobicContact CD2-CB 4.34Å; F91-P190 HydrophobicContact CD2-CG 3.82Å; F91-P190 HydrophobicContact CE1-CB 3.52Å; F91-P190 HydrophobicContact CE1-CG 3.98Å; F91-P190 HydrophobicContact CE2-CB 3.72Å; F91-P190 HydrophobicContact CE2-CG 3.6Å; F91-P190 HydrophobicContact CG-CG 4.11Å; F91-P190 HydrophobicContact CZ-CB 3.28Å; F91-P190 HydrophobicContact CZ-CG 3.71Å |
| 92 | E | 81.6 | Confident | 77.4 | Confident | 123 Ų | 123 | 98 Ų | 98 | 58% | 0.575 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.5 | -44.2 | 174.2 | -75.6 | -177.7 | 175.8 | 0 | 0 | 111.7 | L88 Q89 K94 A95 I96 | L88-E92 WeakPolarHBondContact O-CG 3.39Å; L88-E92 PolarHBondContact O-N 3.3Å; Q89-E92 PolarHBondContact O-N 2.99Å; E92-K94 VanDerWaalsContact C-N 3.32Å; E92-K94 PolarHBondContact O-N 3.14Å; E92-A95 WeakPolarHBondContact O-CB 3.38Å; E92-A95 PolarHBondContact O-N 3.36Å; E92-A95 VanDerWaalsContact O-N 3.12Å; E92-I96 VanDerWaalsContact O-CG1 3.32Å; E92-I96 WeakPolarHBondContact O-CG1 3.31Å; E92-I96 PolarHBondContact O-N 3.38Å |
| 93 | S | 80.7 | Confident | 75.7 | Confident | 67 Ų | 67 | 96.9 Ų | 96.9 | 47% | 0.469 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.6 | -40.5 | 178.7 | 74.6 | 0 | 0 | 0 | 0 | 112.4 | Q89 I90 A97 | Q89-S93 WeakPolarHBondContact O-CB 3.32Å; Q89-S93 PolarHBondContact O-N 3.39Å; Q89-S93 PolarHBondContact O-OG 3.08Å; I90-S93 PolarHBondContact O-N 2.78Å; I90-S93 PolarHBondContact O-OG 2.92Å; S93-A97 WeakPolarHBondContact O-CB 3.29Å; S93-A97 PolarHBondContact O-N 2.83Å |
| 94 | K | 77.9 | Confident | 74.2 | Confident | 114 Ų | 114 | 96.7 Ų | 96.7 | 50% | 0.496 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 173.7 | -72.7 | 174.6 | 179.5 | 175.1 | 0 | 110.9 | I90 F91 E92 A97 Q98 P190 | I90-K94 HydrophobicContact CG2-CD 4.13Å; I90-K94 WeakPolarHBondContact O-CG 3.25Å; I90-K94 PolarHBondContact O-N 2.68Å; F91-K94 PolarHBondContact O-N 3.37Å; E92-K94 VanDerWaalsContact C-N 3.32Å; E92-K94 PolarHBondContact O-N 3.14Å; K94-A97 PolarHBondContact O-N 3.49Å; K94-Q98 VanDerWaalsContact O-CB 3.24Å; K94-Q98 WeakPolarHBondContact O-CB 3.46Å; K94-Q98 PolarHBondContact O-N 3.48Å; K94-Q98 VanDerWaalsContact O-N 3.11Å; K94-P190 HydrophobicContact CB-CG 4.31Å |
| 95 | A | 72.1 | Confident | 72.9 | Confident | 31 Ų | 31 | 97.4 Ų | 97.4 | 26% | 0.256 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F91 E92 Q98 E99 P190 | F91-A95 WeakPolarHBondContact O-CB 3.46Å; F91-A95 PolarHBondContact O-N 3.4Å; E92-A95 WeakPolarHBondContact O-CB 3.38Å; E92-A95 PolarHBondContact O-N 3.36Å; E92-A95 VanDerWaalsContact O-N 3.12Å; A95-Q98 CarbonylContact O-C 3.58Å; A95-Q98 PolarHBondContact O-N 3.4Å; A95-E99 PolarHBondContact O-N 3.43Å; A95-P190 HydrophobicContact CB-CB 4.19Å; A95-P190 HydrophobicContact CB-CG 4.32Å |
| 96 | I | 74.8 | Confident | 71.8 | Confident | 112 Ų | 112 | 92.8 Ų | 92.8 | 57% | 0.574 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.2 | -46.7 | 176.6 | -65 | 163.8 | 0 | 0 | 0 | 110.6 | E92 Q98 E99 | E92-I96 VanDerWaalsContact O-CG1 3.32Å; E92-I96 WeakPolarHBondContact O-CG1 3.31Å; E92-I96 PolarHBondContact O-N 3.38Å; I96-Q98 PolarHBondContact O-N 3.3Å; I96-Q98 VanDerWaalsContact O-N 3.13Å; I96-E99 VanDerWaalsContact O-CB 3.31Å; I96-E99 WeakPolarHBondContact O-CB 3.08Å; I96-E99 PolarHBondContact O-N 2.95Å; I96-E99 VanDerWaalsContact O-N 3.09Å |
| 97 | A | 69.8 | Low | 71.1 | Confident | 73 Ų | 73 | 91.2 Ų | 91.2 | 60% | 0.603 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60 | -25.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | S93 K94 | S93-A97 WeakPolarHBondContact O-CB 3.29Å; S93-A97 PolarHBondContact O-N 2.83Å; K94-A97 PolarHBondContact O-N 3.49Å |
| 98 | Q | 62.5 | Low | 70.5 | Confident | 47 Ų | 47 | 89.4 Ų | 89.4 | 22% | 0.22 | 50% | 0.497 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 3.9 | -177.8 | -147.6 | 171.7 | 6.9 | 0 | 0 | 112.8 | K94 A95 I96 T100 L101 T189 K191 | K94-Q98 VanDerWaalsContact O-CB 3.24Å; K94-Q98 WeakPolarHBondContact O-CB 3.46Å; K94-Q98 PolarHBondContact O-N 3.48Å; K94-Q98 VanDerWaalsContact O-N 3.11Å; A95-Q98 CarbonylContact O-C 3.58Å; A95-Q98 PolarHBondContact O-N 3.4Å; I96-Q98 PolarHBondContact O-N 3.3Å; I96-Q98 VanDerWaalsContact O-N 3.13Å; Q98-T100 VanDerWaalsContact C-N 3.25Å; Q98-T100 PolarHBondContact O-N 3.43Å; Q98-L101 VanDerWaalsContact O-O 3.13Å; Q98-T189 VanDerWaalsContact NE2-CG2 3.32Å; Q98-K191 PolarHBondContact O-NZ 2.71Å |
| 99 | E | 58.9 | Low | 69.9 | Low | 147 Ų | 147 | 89.8 Ų | 89.8 | 69% | 0.687 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -28.5 | 173 | -163.9 | 177.8 | -179.6 | 0 | 0 | 111.6 | A95 I96 | A95-E99 PolarHBondContact O-N 3.43Å; I96-E99 VanDerWaalsContact O-CB 3.31Å; I96-E99 WeakPolarHBondContact O-CB 3.08Å; I96-E99 PolarHBondContact O-N 2.95Å; I96-E99 VanDerWaalsContact O-N 3.09Å |
| 100 | T | 56.1 | Low | 69.3 | Low | 130 Ų | 130 | 87.1 Ų | 87.1 | 80% | 0.798 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -9.7 | -178.7 | -28.5 | 0 | 0 | 0 | 0 | 114.2 | Q98 | Q98-T100 VanDerWaalsContact C-N 3.25Å; Q98-T100 PolarHBondContact O-N 3.43Å |
| 101 | L | 54.3 | Low | 69 | Low | 124 Ų | 124 | 86.8 Ų | 86.8 | 65% | 0.649 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -116.8 | 124.9 | 179.8 | -74.5 | 165.7 | 0 | 0 | 0 | 110.1 | Q98 | Q98-L101 VanDerWaalsContact O-O 3.13Š|
| 102 | E | 51.9 | Low | 68.8 | Low | 179 Ų | 179 | 90.8 Ų | 90.8 | 84% | 0.836 | 50% | 0.502 | S | S | * | . | trans | -48.9 | 136.4 | 175.3 | -83.3 | -72.9 | 123.5 | 0 | 0 | 111.4 | S104 | E102-S104 PolarHBondContact O-N 2.89Š| ||
| 103 | P | 53.4 | Low | 68.8 | Low | 68 Ų | 68 | 89.3 Ų | 89.3 | 44% | 0.442 | 49% | 0.492 | S | S | . | . | trans | -68.5 | 103.2 | -175.7 | 27 | -32 | 0 | 0 | 0 | 110.8 | K191 | P103-K191 HydrophobicContact CB-CD 4.29Š| ||
| 104 | S | 57.9 | Low | 68.9 | Low | 77 Ų | 77 | 86.3 Ų | 86.3 | 54% | 0.538 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 127 | 171.2 | 60.8 | 0 | 0 | 0 | 0 | 110 | E102 Q192 | E102-S104 PolarHBondContact O-N 2.89Å; S104-Q192 PolarHBondContact O-NE2 3.22Å |
| 105 | P | 64.4 | Low | 69.2 | Low | 82 Ų | 82 | 82.8 Ų | 82.8 | 53% | 0.532 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 149.9 | 177.3 | 24.4 | -33 | 0 | 0 | 0 | 111.1 | T107 | P105-T107 PolarHBondContact O-N 2.98Š|
| 106 | P | 66.9 | Low | 69.8 | Low | 8 Ų | 8 | 87.4 Ų | 87.4 | 5% | 0.052 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 136.6 | 178.4 | 24 | -33 | 0 | 0 | 0 | 110.1 | I111 M195 | P106-I111 HydrophobicContact CB-CG1 4.02Å; P106-I111 HydrophobicContact CG-CD1 4.11Å; P106-I111 HydrophobicContact CG-CG1 4.01Å; P106-M195 WeakPolarHBondContact CD-SD 3.47Å; P106-M195 HydrophobicContact CG-SD 4.39Å |
| 107 | T | 76.6 | Confident | 70.3 | Confident | 82 Ų | 82 | 84.2 Ų | 84.2 | 50% | 0.503 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 148.9 | 179.8 | -54.1 | 0 | 0 | 0 | 0 | 109.5 | P105 T109 Q110 I111 | P105-T107 PolarHBondContact O-N 2.98Å; T107-T109 WeakPolarHBondContact CG2-OG1 3.16Å; T107-T109 PolarHBondContact O-N 3.37Å; T107-Q110 WeakPolarHBondContact O-CA 3.28Å; T107-Q110 WeakPolarHBondContact O-CB 3.28Å; T107-Q110 PolarHBondContact O-N 3.49Å; T107-I111 PolarHBondContact O-N 2.79Å |
| 108 | A | 74.1 | Confident | 71 | Confident | 65 Ų | 65 | 82 Ų | 82 | 54% | 0.537 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -54 | -30.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R112 | A108-R112 VanDerWaalsContact O-CG 3.31Å; A108-R112 WeakPolarHBondContact O-CG 3.28Å; A108-R112 PolarHBondContact O-N 3Å |
| 109 | T | 76.6 | Confident | 72.2 | Confident | 99 Ų | 99 | 80.1 Ų | 80.1 | 61% | 0.607 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -66.1 | -43.3 | 173.2 | 49.2 | 0 | 0 | 0 | 0 | 112.5 | T107 R112 Y113 | T107-T109 WeakPolarHBondContact CG2-OG1 3.16Å; T107-T109 PolarHBondContact O-N 3.37Å; T109-R112 PolarHBondContact O-N 3.03Å; T109-Y113 WeakPolarHBondContact O-CB 3.39Å; T109-Y113 PolarHBondContact O-N 2.76Å |
| 110 | Q | 77 | Confident | 73.6 | Confident | 59 Ų | 59 | 75.1 Ų | 75.1 | 28% | 0.276 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 176 | -65.2 | 173.5 | -45.8 | 0 | 0 | 111.1 | T107 R112 Y113 V114 L188 | T107-Q110 WeakPolarHBondContact O-CA 3.28Å; T107-Q110 WeakPolarHBondContact O-CB 3.28Å; T107-Q110 PolarHBondContact O-N 3.49Å; Q110-R112 PolarHBondContact O-N 2.88Å; Q110-Y113 PolarHBondContact O-N 3.28Å; Q110-V114 VanDerWaalsContact O-CG2 3.28Å; Q110-V114 WeakPolarHBondContact O-CG2 3.47Å; Q110-V114 PolarHBondContact O-N 3.43Å; Q110-L188 HydrophobicContact CB-CD2 4.35Å |
| 111 | I | 78.3 | Confident | 75.1 | Confident | 48 Ų | 48 | 70.4 Ų | 70.4 | 25% | 0.246 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 176.4 | -63.9 | 176.7 | 0 | 0 | 0 | 111 | P106 T107 Y113 V114 L115 S201 | P106-I111 HydrophobicContact CB-CG1 4.02Å; P106-I111 HydrophobicContact CG-CD1 4.11Å; P106-I111 HydrophobicContact CG-CG1 4.01Å; T107-I111 PolarHBondContact O-N 2.79Å; I111-Y113 VanDerWaalsContact C-N 3.34Å; I111-V114 PolarHBondContact O-N 3.34Å; I111-L115 PolarHBondContact O-N 2.81Å; I111-S201 PolarHBondContact O-OG 2.84Å |
| 112 | R | 79.4 | Confident | 76.8 | Confident | 171 Ų | 171 | 67.6 Ų | 67.6 | 65% | 0.645 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.1 | -41.8 | 175.7 | -74.8 | 175.4 | -177.6 | -170.1 | 1.3 | 111.4 | A108 T109 Q110 V114 L115 F116 | A108-R112 VanDerWaalsContact O-CG 3.31Å; A108-R112 WeakPolarHBondContact O-CG 3.28Å; A108-R112 PolarHBondContact O-N 3Å; T109-R112 PolarHBondContact O-N 3.03Å; Q110-R112 PolarHBondContact O-N 2.88Å; R112-V114 PolarHBondContact O-N 2.83Å; R112-L115 VanDerWaalsContact O-CB 3.29Å; R112-L115 WeakPolarHBondContact O-CB 3.31Å; R112-L115 PolarHBondContact O-N 3.42Å; R112-F116 HydrophobicContact CB-CE2 4.42Å; R112-F116 WeakPolarHBondContact O-CD2 3.15Å; R112-F116 PolarHBondContact O-N 3.49Å |
| 113 | Y | 82.4 | Confident | 78.7 | Confident | 92 Ų | 92 | 61.2 Ų | 61.2 | 36% | 0.361 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 177.4 | -171.4 | -97.5 | 0 | 0 | 0 | 111.9 | T109 Q110 I111 L115 F116 H117 Q184 P186 | T109-Y113 WeakPolarHBondContact O-CB 3.39Å; T109-Y113 PolarHBondContact O-N 2.76Å; Q110-Y113 PolarHBondContact O-N 3.28Å; I111-Y113 VanDerWaalsContact C-N 3.34Å; Y113-L115 VanDerWaalsContact C-N 3.3Å; Y113-L115 PolarHBondContact O-N 2.9Å; Y113-F116 PolarHBondContact O-N 3.36Å; Y113-H117 VanDerWaalsContact O-CB 3.28Å; Y113-H117 WeakPolarHBondContact O-CB 3.27Å; Y113-H117 PolarHBondContact O-N 3.16Å; Y113-Q184 VanDerWaalsContact CE1-O 3.25Å; Y113-Q184 WeakPolarHBondContact CE1-O 3.22Å; Y113-Q184 PolarHBondContact OH-N 3.45Å; Y113-Q184 PolarHBondContact OH-O 2.87Å; Y113-P186 HydrophobicContact CD1-CB 3.79Å; Y113-P186 HydrophobicContact CD1-CG 3.78Å; Y113-P186 HydrophobicContact CE1-CB 4.03Å; Y113-P186 HydrophobicContact CE1-CG 3.85Å |
| 114 | V | 81.9 | Confident | 80.4 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.024 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.3 | -42.8 | 173.1 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | Q110 I111 R112 N118 P186 L188 T198 | Q110-V114 VanDerWaalsContact O-CG2 3.28Å; Q110-V114 WeakPolarHBondContact O-CG2 3.47Å; Q110-V114 PolarHBondContact O-N 3.43Å; I111-V114 PolarHBondContact O-N 3.34Å; R112-V114 PolarHBondContact O-N 2.83Å; V114-N118 WeakPolarHBondContact O-CB 3.4Å; V114-N118 PolarHBondContact O-N 3.35Å; V114-N118 VanDerWaalsContact O-N 3.08Å; V114-N118 PolarHBondContact O-ND2 3.26Å; V114-P186 HydrophobicContact CG2-CB 3.85Å; V114-P186 HydrophobicContact CG2-CG 3.96Å; V114-L188 HydrophobicContact CG2-CD1 3.73Å; V114-L188 HydrophobicContact CG2-CD2 4.31Å; V114-L188 HydrophobicContact CG2-CG 4.34Å; V114-T198 HydrophobicContact CG1-CG2 4.29Å; V114-T198 HydrophobicContact CG2-CG2 4.44Å |
| 115 | L | 84.4 | Confident | 81.9 | Confident | 41 Ų | 41 | 58.8 Ų | 58.8 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.8 | -53.2 | 177.1 | -170.2 | 85.1 | 0 | 0 | 0 | 110.9 | I111 R112 Y113 N118 A119 S201 M204 I208 | I111-L115 PolarHBondContact O-N 2.81Å; R112-L115 VanDerWaalsContact O-CB 3.29Å; R112-L115 WeakPolarHBondContact O-CB 3.31Å; R112-L115 PolarHBondContact O-N 3.42Å; Y113-L115 VanDerWaalsContact C-N 3.3Å; Y113-L115 PolarHBondContact O-N 2.9Å; L115-N118 PolarHBondContact O-N 3.5Å; L115-A119 VanDerWaalsContact O-CB 3.32Å; L115-A119 WeakPolarHBondContact O-CB 3.41Å; L115-A119 PolarHBondContact O-N 2.83Å; L115-S201 WeakPolarHBondContact CD1-O 3.33Å; L115-M204 HydrophobicContact CD1-CB 3.9Å; L115-I208 HydrophobicContact CD1-CD1 4.31Å |
| 116 | F | 84.4 | Confident | 83.2 | Confident | 127 Ų | 127 | 54.9 Ų | 54.9 | 56% | 0.557 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -64.8 | -43.1 | -178.6 | -75.5 | -66.6 | 0 | 0 | 0 | 112.4 | R112 Y113 N118 A119 V120 | R112-F116 HydrophobicContact CB-CE2 4.42Å; R112-F116 WeakPolarHBondContact O-CD2 3.15Å; R112-F116 PolarHBondContact O-N 3.49Å; Y113-F116 PolarHBondContact O-N 3.36Å; F116-N118 PolarHBondContact O-N 3.11Å; F116-A119 PolarHBondContact O-N 3.45Å; F116-V120 WeakPolarHBondContact O-CG2 3.32Å; F116-V120 PolarHBondContact O-N 3.05Å |
| 117 | H | 85.2 | Confident | 84.4 | Confident | 46 Ų | 46 | 58.4 Ų | 58.4 | 21% | 0.213 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.7 | -38.4 | 176.8 | -179.1 | -77 | 0 | 0 | 0 | 111.9 | Y113 P121 M183 Q184 P186 | Y113-H117 VanDerWaalsContact O-CB 3.28Å; Y113-H117 WeakPolarHBondContact O-CB 3.27Å; Y113-H117 PolarHBondContact O-N 3.16Å; H117-P121 WeakPolarHBondContact O-CD 3.31Å; H117-M183 HydrophobicContact CB-CE 4.36Å; H117-M183 VanDerWaalsContact O-CE 3.27Å; H117-M183 WeakPolarHBondContact O-CE 3.46Å; H117-Q184 PolarHBondContact CD2-O 3.13Å; H117-P186 HydrophobicContact CB-CG 4.2Å |
| 118 | N | 85.2 | Confident | 85 | Confident | 26 Ų | 26 | 56.7 Ų | 56.7 | 14% | 0.139 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -82.6 | -20.5 | 175.9 | -75.8 | -91.6 | 0 | 0 | 0 | 113.2 | V114 L115 F116 F122 S202 K206 | V114-N118 WeakPolarHBondContact O-CB 3.4Å; V114-N118 PolarHBondContact O-N 3.35Å; V114-N118 VanDerWaalsContact O-N 3.08Å; V114-N118 PolarHBondContact O-ND2 3.26Å; L115-N118 PolarHBondContact O-N 3.5Å; F116-N118 PolarHBondContact O-N 3.11Å; N118-F122 WeakPolarHBondContact O-CD2 3.4Å; N118-S202 VanDerWaalsContact CG-OG 3.29Å; N118-S202 PolarHBondContact OD1-OG 3.42Å; N118-K206 HydrophobicContact CB-CG 4.2Å; N118-K206 VanDerWaalsContact OD1-CE 3.3Å; N118-K206 WeakPolarHBondContact OD1-CE 3.43Å |
| 119 | A | 87.1 | Confident | 85.9 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 6% | 0.058 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -81 | -46.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | L115 F116 F122 I123 G205 | L115-A119 VanDerWaalsContact O-CB 3.32Å; L115-A119 WeakPolarHBondContact O-CB 3.41Å; L115-A119 PolarHBondContact O-N 2.83Å; F116-A119 PolarHBondContact O-N 3.45Å; A119-F122 CarbonylContact O-C 3.54Å; A119-F122 WeakPolarHBondContact O-CA 3.44Å; A119-F122 WeakPolarHBondContact O-CB 3.36Å; A119-F122 PolarHBondContact O-N 3.34Å; A119-I123 WeakPolarHBondContact O-CG1 3.33Å; A119-I123 PolarHBondContact O-N 3.2Å; A119-G205 VanDerWaalsContact CA-O 3.25Å; A119-G205 WeakPolarHBondContact CA-O 3.38Å; A119-G205 WeakPolarHBondContact CB-O 3.5Å |
| 120 | V | 88.9 | Confident | 86.5 | Confident | 43 Ų | 43 | 51.2 Ų | 51.2 | 26% | 0.261 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56 | -48.1 | -171 | 169.8 | 0 | 0 | 0 | 0 | 114.1 | F116 F122 I123 G124 L181 M183 | F116-V120 WeakPolarHBondContact O-CG2 3.32Å; F116-V120 PolarHBondContact O-N 3.05Å; V120-F122 PolarHBondContact O-N 3.25Å; V120-I123 PolarHBondContact O-N 3.31Å; V120-G124 PolarHBondContact O-N 2.92Å; V120-L181 HydrophobicContact CG1-CD1 4.17Å; V120-M183 HydrophobicContact CB-CE 4Å; V120-M183 HydrophobicContact CB-SD 3.54Å; V120-M183 VanDerWaalsContact CB-SD 3.54Å; V120-M183 HydrophobicContact CG1-CE 4.36Å; V120-M183 HydrophobicContact CG1-SD 3.93Å; V120-M183 HydrophobicContact CG2-SD 3.6Å; V120-M183 VanDerWaalsContact CG2-SD 3.6Å |
| 121 | P | 87.1 | Confident | 87.2 | Confident | 30 Ų | 30 | 49.1 Ų | 49.1 | 20% | 0.195 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.8 | -35.4 | 177.9 | -19.6 | 33.3 | 0 | 0 | 0 | 111.3 | H117 G124 F125 V174 A178 M183 | H117-P121 WeakPolarHBondContact O-CD 3.31Å; P121-G124 PolarHBondContact O-N 3.38Å; P121-F125 WeakPolarHBondContact O-CB 3.25Å; P121-F125 PolarHBondContact O-N 2.92Å; P121-V174 HydrophobicContact CB-CG1 3.9Å; P121-V174 WeakPolarHBondContact O-CG1 3.32Å; P121-A178 HydrophobicContact CG-CB 3.94Å; P121-M183 HydrophobicContact CG-CE 4.21Å |
| 122 | F | 89.6 | Confident | 87.8 | Confident | 66 Ų | 66 | 49 Ų | 49 | 29% | 0.289 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -77.9 | -24.5 | -178.9 | -77.5 | -88.5 | 0 | 0 | 0 | 113.3 | N118 A119 V120 G126 K206 I210 | N118-F122 WeakPolarHBondContact O-CD2 3.4Å; A119-F122 CarbonylContact O-C 3.54Å; A119-F122 WeakPolarHBondContact O-CA 3.44Å; A119-F122 WeakPolarHBondContact O-CB 3.36Å; A119-F122 PolarHBondContact O-N 3.34Å; V120-F122 PolarHBondContact O-N 3.25Å; F122-G126 PolarHBondContact O-N 2.9Å; F122-K206 HydrophobicContact CD1-CB 4.31Å; F122-K206 HydrophobicContact CD2-CB 4.22Å; F122-K206 HydrophobicContact CD2-CG 3.75Å; F122-K206 HydrophobicContact CE1-CB 4.38Å; F122-K206 HydrophobicContact CE1-CD 4.49Å; F122-K206 HydrophobicContact CE1-CG 4.33Å; F122-K206 HydrophobicContact CE2-CB 4.29Å; F122-K206 HydrophobicContact CE2-CD 3.87Å; F122-K206 HydrophobicContact CE2-CG 3.51Å; F122-K206 HydrophobicContact CG-CB 4.19Å; F122-K206 HydrophobicContact CG-CG 4.23Å; F122-K206 HydrophobicContact CZ-CB 4.36Å; F122-K206 HydrophobicContact CZ-CD 3.8Å; F122-K206 HydrophobicContact CZ-CG 3.81Å; F122-I210 HydrophobicContact CB-CG1 4.05Å; F122-I210 HydrophobicContact CD1-CD1 3.82Å; F122-I210 HydrophobicContact CD1-CG1 3.7Å; F122-I210 HydrophobicContact CE1-CD1 4.39Å; F122-I210 HydrophobicContact CG-CG1 4.32Å |
| 123 | I | 91.9 | Very high | 88.4 | Confident | 45 Ų | 45 | 42.9 Ų | 42.9 | 23% | 0.231 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.9 | -49.4 | 166 | -64.2 | 170.3 | 0 | 0 | 0 | 109.4 | A119 V120 F125 G126 F127 G209 I212 G213 L216 | A119-I123 WeakPolarHBondContact O-CG1 3.33Å; A119-I123 PolarHBondContact O-N 3.2Å; V120-I123 PolarHBondContact O-N 3.31Å; I123-F125 VanDerWaalsContact C-N 3.35Å; I123-F125 PolarHBondContact O-N 2.8Å; I123-G126 PolarHBondContact O-N 3.47Å; I123-F127 VanDerWaalsContact O-CB 3.23Å; I123-F127 WeakPolarHBondContact O-CB 3.17Å; I123-F127 PolarHBondContact O-N 3.43Å; I123-G209 VanDerWaalsContact CA-O 3.28Å; I123-G209 WeakPolarHBondContact CA-O 3.44Å; I123-G209 WeakPolarHBondContact CG1-O 3.24Å; I123-G209 PolarHBondContact N-O 3.02Å; I123-I212 HydrophobicContact CD1-CG2 4.37Å; I123-I212 HydrophobicContact CG1-CB 4.31Å; I123-I212 HydrophobicContact CG1-CG2 4.36Å; I123-I212 HydrophobicContact CG2-CG2 4.4Å; I123-G213 VanDerWaalsContact O-CA 3.23Å; I123-G213 WeakPolarHBondContact O-CA 3.49Å; I123-L216 HydrophobicContact CG2-CD1 4.14Å |
| 124 | G | 89.3 | Confident | 88.8 | Confident | 25 Ų | 25 | 39.4 Ų | 39.4 | 26% | 0.258 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.8 | -43.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V120 P121 L128 | V120-G124 PolarHBondContact O-N 2.92Å; P121-G124 PolarHBondContact O-N 3.38Å; G124-L128 PolarHBondContact O-N 3.29Å |
| 125 | F | 89.9 | Confident | 89.2 | Confident | 68 Ų | 68 | 41.6 Ų | 41.6 | 30% | 0.298 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60 | -54.9 | 174.5 | 179.8 | -93.4 | 0 | 0 | 0 | 111.8 | P121 I123 F127 L128 D129 | P121-F125 WeakPolarHBondContact O-CB 3.25Å; P121-F125 PolarHBondContact O-N 2.92Å; I123-F125 VanDerWaalsContact C-N 3.35Å; I123-F125 PolarHBondContact O-N 2.8Å; F125-F127 VanDerWaalsContact C-N 3.28Å; F125-F127 PolarHBondContact O-N 3.23Å; F125-L128 PolarHBondContact O-N 3.31Å; F125-D129 VanDerWaalsContact O-CB 3.24Å; F125-D129 WeakPolarHBondContact O-CB 3.5Å; F125-D129 PolarHBondContact O-N 2.98Å |
| 126 | G | 90.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.6 | -30.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | F122 I123 N130 G213 | F122-G126 PolarHBondContact O-N 2.9Å; I123-G126 PolarHBondContact O-N 3.47Å; G126-N130 PolarHBondContact O-N 3.49Å; G126-N130 VanDerWaalsContact O-N 3.13Å; G126-G213 CarbonylContact C-O 3.5Å; G126-G213 CarbonylContact O-C 3.49Å |
| 127 | F | 92.7 | Very high | 89.7 | Confident | 82 Ų | 82 | 34.8 Ų | 34.8 | 36% | 0.36 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.3 | -54.5 | 173.9 | 168.8 | -97 | 0 | 0 | 0 | 111.6 | I123 F125 D129 A131 G213 L216 G217 | I123-F127 VanDerWaalsContact O-CB 3.23Å; I123-F127 WeakPolarHBondContact O-CB 3.17Å; I123-F127 PolarHBondContact O-N 3.43Å; F125-F127 VanDerWaalsContact C-N 3.28Å; F125-F127 PolarHBondContact O-N 3.23Å; F127-D129 PolarHBondContact O-N 2.98Å; F127-A131 WeakPolarHBondContact O-CB 3.44Å; F127-A131 PolarHBondContact O-N 3.3Å; F127-G213 WeakPolarHBondContact CA-O 3.39Å; F127-G213 PolarHBondContact N-O 3.49Å; F127-L216 HydrophobicContact CD2-CB 3.85Å; F127-G217 WeakPolarHBondContact O-CA 3.06Å |
| 128 | L | 89.9 | Confident | 89.8 | Confident | 46 Ų | 46 | 33.9 Ų | 33.9 | 24% | 0.241 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.2 | -40.2 | 176.2 | -108 | 55.7 | 0 | 0 | 0 | 110.5 | G124 F125 A131 I132 L170 | G124-L128 PolarHBondContact O-N 3.29Å; F125-L128 PolarHBondContact O-N 3.31Å; L128-A131 PolarHBondContact O-N 3.26Å; L128-I132 HydrophobicContact CB-CD1 4.28Å; L128-I132 HydrophobicContact CG-CD1 4.12Å; L128-I132 VanDerWaalsContact O-CB 3.22Å; L128-I132 WeakPolarHBondContact O-CB 3.05Å; L128-I132 WeakPolarHBondContact O-CG1 3.3Å; L128-I132 PolarHBondContact O-N 3.07Å; L128-L170 HydrophobicContact CD2-CB 4.05Å; L128-L170 HydrophobicContact CD2-CD1 3.44Å; L128-L170 VanDerWaalsContact CD2-CD1 3.44Å; L128-L170 HydrophobicContact CD2-CG 4.27Å; L128-L170 HydrophobicContact CG-CD1 4.37Å |
| 129 | D | 91.4 | Very high | 89.9 | Confident | 24 Ų | 24 | 38.5 Ų | 38.5 | 13% | 0.128 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.5 | -55.7 | -175.9 | -172.6 | 36.3 | 0 | 0 | 0 | 111.7 | F125 F127 A131 M133 S163 | F125-D129 VanDerWaalsContact O-CB 3.24Å; F125-D129 WeakPolarHBondContact O-CB 3.5Å; F125-D129 PolarHBondContact O-N 2.98Å; F127-D129 PolarHBondContact O-N 2.98Å; D129-A131 PolarHBondContact O-N 3.04Å; D129-M133 WeakPolarHBondContact O-CB 3.37Å; D129-M133 PolarHBondContact O-N 3.06Å; D129-S163 VanDerWaalsContact C-OG 3.28Å; D129-S163 WeakPolarHBondContact CA-OG 3.47Å; D129-S163 PolarHBondContact O-OG 3.29Å; D129-S163 WeakPolarHBondContact OD1-CB 3.43Å; D129-S163 PolarHBondContact OD1-OG 3.14Å |
| 130 | N | 90.5 | Very high | 89.9 | Confident | 25 Ų | 25 | 39.5 Ų | 39.5 | 13% | 0.134 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.6 | -38.2 | 178.2 | -87.7 | 9.8 | 0 | 0 | 0 | 112.7 | G126 I134 C214 G217 | G126-N130 PolarHBondContact O-N 3.49Å; G126-N130 VanDerWaalsContact O-N 3.13Å; N130-I134 WeakPolarHBondContact O-CB 3.26Å; N130-I134 VanDerWaalsContact O-CD1 3.32Å; N130-I134 WeakPolarHBondContact O-CD1 3.36Å; N130-I134 VanDerWaalsContact O-CG1 3.24Å; N130-I134 WeakPolarHBondContact O-CG1 3.4Å; N130-I134 PolarHBondContact O-N 3.16Å; N130-C214 VanDerWaalsContact ND2-CA 3.27Å; N130-C214 WeakPolarHBondContact ND2-CA 3.46Å; N130-C214 WeakPolarHBondContact ND2-CB 3.23Å; N130-C214 PolarHBondContact ND2-O 2.99Å; N130-G217 CarbonylContact C-O 3.59Å |
| 131 | A | 91.1 | Very high | 89.7 | Confident | 15 Ų | 15 | 40.6 Ų | 40.6 | 12% | 0.124 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.7 | -44.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F127 L128 D129 A135 G217 P220 | F127-A131 WeakPolarHBondContact O-CB 3.44Å; F127-A131 PolarHBondContact O-N 3.3Å; L128-A131 PolarHBondContact O-N 3.26Å; D129-A131 PolarHBondContact O-N 3.04Å; A131-A135 WeakPolarHBondContact O-CB 3.24Å; A131-A135 PolarHBondContact O-N 3.37Å; A131-G217 WeakPolarHBondContact CA-O 3.34Å; A131-G217 PolarHBondContact N-O 3.34Å; A131-P220 HydrophobicContact CB-CG 4.08Å |
| 132 | I | 91.1 | Very high | 89.5 | Confident | 46 Ų | 46 | 43.3 Ų | 43.3 | 24% | 0.236 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.2 | -42.5 | 177.5 | -66.2 | 170.6 | 0 | 0 | 0 | 109.8 | L128 I134 A135 A136 V162 A166 L170 | L128-I132 HydrophobicContact CB-CD1 4.28Å; L128-I132 HydrophobicContact CG-CD1 4.12Å; L128-I132 VanDerWaalsContact O-CB 3.22Å; L128-I132 WeakPolarHBondContact O-CB 3.05Å; L128-I132 WeakPolarHBondContact O-CG1 3.3Å; L128-I132 PolarHBondContact O-N 3.07Å; I132-I134 VanDerWaalsContact C-N 3.33Å; I132-I134 PolarHBondContact O-N 3.19Å; I132-A135 PolarHBondContact O-N 3.25Å; I132-A136 WeakPolarHBondContact O-CB 3.37Å; I132-A136 PolarHBondContact O-N 3.3Å; I132-V162 HydrophobicContact CG2-CG1 4.24Å; I132-A166 HydrophobicContact CD1-CB 3.79Å; I132-L170 HydrophobicContact CD1-CD1 4.34Å |
| 133 | M | 92.5 | Very high | 89 | Confident | 43 Ų | 43 | 43.6 Ų | 43.6 | 21% | 0.212 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -54.6 | -49.3 | 175 | 173.6 | -170 | 71.8 | 0 | 0 | 111.4 | D129 G137 N160 | D129-M133 WeakPolarHBondContact O-CB 3.37Å; D129-M133 PolarHBondContact O-N 3.06Å; M133-G137 VanDerWaalsContact O-CA 3.27Å; M133-G137 WeakPolarHBondContact O-CA 3.49Å; M133-G137 PolarHBondContact O-N 2.97Å; M133-N160 HydrophobicContact CG-CB 4.25Å; M133-N160 HydrophobicContact SD-CB 4.16Å |
| 134 | I | 90.6 | Very high | 88.2 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 9% | 0.092 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.7 | -52.1 | -179.1 | -69.5 | 159.8 | 0 | 0 | 0 | 110.2 | N130 I132 A136 G137 T138 M218 P220 L221 L224 | N130-I134 WeakPolarHBondContact O-CB 3.26Å; N130-I134 VanDerWaalsContact O-CD1 3.32Å; N130-I134 WeakPolarHBondContact O-CD1 3.36Å; N130-I134 VanDerWaalsContact O-CG1 3.24Å; N130-I134 WeakPolarHBondContact O-CG1 3.4Å; N130-I134 PolarHBondContact O-N 3.16Å; I132-I134 VanDerWaalsContact C-N 3.33Å; I132-I134 PolarHBondContact O-N 3.19Å; I134-A136 PolarHBondContact O-N 3.46Å; I134-G137 PolarHBondContact O-N 3.41Å; I134-T138 PolarHBondContact O-N 3.37Å; I134-T138 PolarHBondContact O-OG1 2.92Å; I134-T138 VanDerWaalsContact O-OG1 3.05Å; I134-M218 HydrophobicContact CD1-CG 4.37Å; I134-P220 HydrophobicContact CB-CB 4.49Å; I134-P220 HydrophobicContact CG2-CB 3.93Å; I134-L221 HydrophobicContact CD1-CD1 4.2Å; I134-L221 HydrophobicContact CD1-CD2 4.17Å; I134-L221 HydrophobicContact CD1-CG 3.85Å; I134-L221 HydrophobicContact CG1-CD2 4.31Å; I134-L221 HydrophobicContact CG2-CD2 3.84Å; I134-L221 HydrophobicContact CG2-CG 4.38Å; I134-L224 HydrophobicContact CG2-CD1 3.43Å; I134-L224 VanDerWaalsContact CG2-CD1 3.43Å |
| 135 | A | 89.2 | Confident | 87.4 | Confident | 50 Ų | 50 | 44 Ų | 44 | 41% | 0.413 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.4 | -45.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A131 I132 Q139 | A131-A135 WeakPolarHBondContact O-CB 3.24Å; A131-A135 PolarHBondContact O-N 3.37Å; I132-A135 PolarHBondContact O-N 3.25Å; A135-Q139 WeakPolarHBondContact O-CB 3.29Å; A135-Q139 WeakPolarHBondContact O-CG 3.21Å; A135-Q139 PolarHBondContact O-N 3.1Å |
| 136 | A | 90.3 | Very high | 86.4 | Confident | 22 Ų | 22 | 46.7 Ų | 46.7 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.9 | -39 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I132 I134 Q139 I140 V162 | I132-A136 WeakPolarHBondContact O-CB 3.37Å; I132-A136 PolarHBondContact O-N 3.3Å; I134-A136 PolarHBondContact O-N 3.46Å; A136-Q139 PolarHBondContact O-N 3.24Å; A136-I140 WeakPolarHBondContact O-CB 3.23Å; A136-I140 WeakPolarHBondContact O-CD1 3.23Å; A136-I140 WeakPolarHBondContact O-CG1 3.33Å; A136-I140 PolarHBondContact O-N 3.49Å; A136-V162 HydrophobicContact CB-CB 4.46Å; A136-V162 HydrophobicContact CB-CG1 4.18Å |
| 137 | G | 89.7 | Confident | 85.3 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 4% | 0.041 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.2 | -51.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | M133 I134 Q139 I140 E141 | M133-G137 VanDerWaalsContact O-CA 3.27Å; M133-G137 WeakPolarHBondContact O-CA 3.49Å; M133-G137 PolarHBondContact O-N 2.97Å; I134-G137 PolarHBondContact O-N 3.41Å; G137-Q139 PolarHBondContact O-N 3.4Å; G137-I140 PolarHBondContact O-N 2.9Å; G137-E141 WeakPolarHBondContact O-CB 3.24Å; G137-E141 PolarHBondContact O-N 2.82Å |
| 138 | T | 87 | Confident | 84.5 | Confident | 27 Ų | 27 | 54.1 Ų | 54.1 | 17% | 0.166 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 176.1 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | I134 I140 E141 L142 L224 | I134-T138 PolarHBondContact O-N 3.37Å; I134-T138 PolarHBondContact O-OG1 2.92Å; I134-T138 VanDerWaalsContact O-OG1 3.05Å; T138-I140 VanDerWaalsContact C-N 3.32Å; T138-I140 PolarHBondContact O-N 2.78Å; T138-E141 WeakPolarHBondContact O-CB 3.37Å; T138-E141 PolarHBondContact O-N 3.35Å; T138-L142 HydrophobicContact CG2-CD1 3.91Å; T138-L142 HydrophobicContact CG2-CG 4.28Å; T138-L142 WeakPolarHBondContact O-CG 3.4Å; T138-L142 PolarHBondContact O-N 2.85Å; T138-L224 HydrophobicContact CG2-CD2 3.69Å; T138-L224 WeakPolarHBondContact OG1-CD1 3.44Å |
| 139 | Q | 86.8 | Confident | 83.8 | Confident | 122 Ų | 122 | 55.1 Ų | 55.1 | 57% | 0.57 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.4 | -37.1 | 179.2 | -70.4 | -70 | 10.5 | 0 | 0 | 112.6 | A135 A136 G137 S143 | A135-Q139 WeakPolarHBondContact O-CB 3.29Å; A135-Q139 WeakPolarHBondContact O-CG 3.21Å; A135-Q139 PolarHBondContact O-N 3.1Å; A136-Q139 PolarHBondContact O-N 3.24Å; G137-Q139 PolarHBondContact O-N 3.4Å; Q139-S143 WeakPolarHBondContact O-CB 3.16Å; Q139-S143 PolarHBondContact O-N 2.86Å; Q139-S143 PolarHBondContact O-OG 3.25Å |
| 140 | I | 87.1 | Confident | 83.4 | Confident | 29 Ų | 29 | 56.5 Ų | 56.5 | 15% | 0.149 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.7 | -41.7 | 174.2 | -70.7 | 166.1 | 0 | 0 | 0 | 110.3 | A136 G137 T138 I144 G145 A155 L158 | A136-I140 WeakPolarHBondContact O-CB 3.23Å; A136-I140 WeakPolarHBondContact O-CD1 3.23Å; A136-I140 WeakPolarHBondContact O-CG1 3.33Å; A136-I140 PolarHBondContact O-N 3.49Å; G137-I140 PolarHBondContact O-N 2.9Å; T138-I140 VanDerWaalsContact C-N 3.32Å; T138-I140 PolarHBondContact O-N 2.78Å; I140-I144 HydrophobicContact CG2-CB 4.42Å; I140-I144 HydrophobicContact CG2-CD1 4.34Å; I140-I144 WeakPolarHBondContact O-CA 3.28Å; I140-I144 VanDerWaalsContact O-CB 3.28Å; I140-I144 WeakPolarHBondContact O-CB 3.31Å; I140-I144 PolarHBondContact O-N 3.3Å; I140-G145 PolarHBondContact O-N 3.37Å; I140-A155 HydrophobicContact CB-CB 4.37Å; I140-A155 HydrophobicContact CG2-CB 3.92Å; I140-L158 HydrophobicContact CD1-CB 3.87Å; I140-L158 HydrophobicContact CG2-CB 4.5Å; I140-L158 HydrophobicContact CG2-CD1 3.96Å |
| 141 | E | 86.4 | Confident | 83.2 | Confident | 66 Ų | 66 | 58.7 Ų | 58.7 | 31% | 0.308 | 36% | 0.357 | S | S | . | . | I | π-helix | trans | -60.6 | -51 | 177.5 | -175.5 | 169 | -164 | 0 | 0 | 111.7 | G137 T138 G145 T152 A155 | G137-E141 WeakPolarHBondContact O-CB 3.24Å; G137-E141 PolarHBondContact O-N 2.82Å; T138-E141 WeakPolarHBondContact O-CB 3.37Å; T138-E141 PolarHBondContact O-N 3.35Å; E141-G145 WeakPolarHBondContact O-CA 3.45Å; E141-G145 PolarHBondContact O-N 3.08Å; E141-T152 WeakPolarHBondContact OE1-CB 3.3Å; E141-T152 WeakPolarHBondContact OE1-CG2 3.29Å; E141-A155 HydrophobicContact CB-CB 3.72Å; E141-A155 HydrophobicContact CG-CB 4.44Å |
| 142 | L | 82.3 | Confident | 83 | Confident | 86 Ų | 86 | 62 Ų | 62 | 45% | 0.45 | 38% | 0.375 | S | S | . | . | I | π-helix | trans | -68.7 | -38.9 | -179.9 | -65.6 | 174.6 | 0 | 0 | 0 | 112.6 | T138 V146 | T138-L142 HydrophobicContact CG2-CD1 3.91Å; T138-L142 HydrophobicContact CG2-CG 4.28Å; T138-L142 WeakPolarHBondContact O-CG 3.4Å; T138-L142 PolarHBondContact O-N 2.85Å; L142-V146 WeakPolarHBondContact O-CG2 3.13Å |
| 143 | S | 79.8 | Confident | 82.8 | Confident | 72 Ų | 72 | 67.4 Ų | 67.4 | 50% | 0.503 | 40% | 0.402 | S | S | . | . | I | π-helix | trans | -81.7 | -48.3 | -176.1 | -57.9 | 0 | 0 | 0 | 0 | 112.8 | Q139 T147 | Q139-S143 WeakPolarHBondContact O-CB 3.16Å; Q139-S143 PolarHBondContact O-N 2.86Å; Q139-S143 PolarHBondContact O-OG 3.25Å; S143-T147 PolarHBondContact O-OG1 2.81Å |
| 144 | I | 73.8 | Confident | 82.6 | Confident | 62 Ų | 62 | 67 Ų | 67 | 32% | 0.318 | 41% | 0.405 | S | S | . | . | I | π-helix | trans | -102.7 | -30.9 | -169.8 | -53.1 | -176.9 | 0 | 0 | 0 | 111.2 | I140 V146 T147 L148 I150 | I140-I144 HydrophobicContact CG2-CB 4.42Å; I140-I144 HydrophobicContact CG2-CD1 4.34Å; I140-I144 WeakPolarHBondContact O-CA 3.28Å; I140-I144 VanDerWaalsContact O-CB 3.28Å; I140-I144 WeakPolarHBondContact O-CB 3.31Å; I140-I144 PolarHBondContact O-N 3.3Å; I144-V146 VanDerWaalsContact C-N 3.29Å; I144-V146 PolarHBondContact O-N 3.29Å; I144-T147 WeakPolarHBondContact CA-OG1 3.38Å; I144-T147 PolarHBondContact O-N 3.02Å; I144-L148 HydrophobicContact CG2-CB 3.94Å; I144-L148 HydrophobicContact CG2-CD1 3.51Å; I144-L148 HydrophobicContact CG2-CG 3.85Å; I144-L148 WeakPolarHBondContact O-CA 3.15Å; I144-L148 WeakPolarHBondContact O-CB 3.27Å; I144-L148 PolarHBondContact O-N 3.42Å; I144-I150 HydrophobicContact CG2-CD1 3.5Å; I144-I150 HydrophobicContact CG2-CG1 4.21Å |
| 145 | G | 72.2 | Confident | 82.5 | Confident | 17 Ų | 17 | 66.1 Ų | 66.1 | 18% | 0.175 | 40% | 0.401 | C | S | . | . | I | π-helix | trans | -59.7 | -40.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | I140 E141 G149 | I140-G145 PolarHBondContact O-N 3.37Å; E141-G145 WeakPolarHBondContact O-CA 3.45Å; E141-G145 PolarHBondContact O-N 3.08Å; G145-G149 WeakPolarHBondContact O-CA 3.28Å; G145-G149 PolarHBondContact O-N 3.24Å |
| 146 | V | 68.9 | Low | 82.5 | Confident | 125 Ų | 125 | 66 Ų | 66 | 76% | 0.758 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -73.5 | -34 | 177.8 | -177.3 | 0 | 0 | 0 | 0 | 112.8 | L142 I144 | L142-V146 WeakPolarHBondContact O-CG2 3.13Å; I144-V146 VanDerWaalsContact C-N 3.29Å; I144-V146 PolarHBondContact O-N 3.29Å |
| 147 | T | 67.8 | Low | 82.5 | Confident | 106 Ų | 106 | 67.9 Ų | 67.9 | 65% | 0.65 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -90.6 | -32.5 | -176.5 | 39.3 | 0 | 0 | 0 | 0 | 114.7 | S143 I144 | S143-T147 PolarHBondContact O-OG1 2.81Å; I144-T147 WeakPolarHBondContact CA-OG1 3.38Å; I144-T147 PolarHBondContact O-N 3.02Å |
| 148 | L | 75.1 | Confident | 82.6 | Confident | 131 Ų | 131 | 71 Ų | 71 | 69% | 0.686 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -115.4 | -0.9 | -176.9 | -61.2 | -175 | 0 | 0 | 0 | 113.6 | I144 I150 | I144-L148 HydrophobicContact CG2-CB 3.94Å; I144-L148 HydrophobicContact CG2-CD1 3.51Å; I144-L148 HydrophobicContact CG2-CG 3.85Å; I144-L148 WeakPolarHBondContact O-CA 3.15Å; I144-L148 WeakPolarHBondContact O-CB 3.27Å; I144-L148 PolarHBondContact O-N 3.42Å; L148-I150 VanDerWaalsContact C-N 3.32Å; L148-I150 HydrophobicContact CB-CD1 4.36Å; L148-I150 HydrophobicContact CB-CG1 4.02Å; L148-I150 PolarHBondContact O-N 3.03Å |
| 149 | G | 77.1 | Confident | 82.9 | Confident | 67 Ų | 67 | 69.7 Ų | 69.7 | 69% | 0.691 | 42% | 0.423 | S | S | * | . | trans | 67.2 | 30 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G145 | G145-G149 WeakPolarHBondContact O-CA 3.28Å; G145-G149 PolarHBondContact O-N 3.24Å | ||
| 150 | I | 83 | Confident | 83.2 | Confident | 54 Ų | 54 | 66.8 Ų | 66.8 | 28% | 0.277 | 41% | 0.411 | S | S | . | . | trans | -74.5 | 137.2 | 178.5 | -56.2 | -172.3 | 0 | 0 | 0 | 109.2 | I144 L148 A154 | I144-I150 HydrophobicContact CG2-CD1 3.5Å; I144-I150 HydrophobicContact CG2-CG1 4.21Å; L148-I150 VanDerWaalsContact C-N 3.32Å; L148-I150 HydrophobicContact CB-CD1 4.36Å; L148-I150 HydrophobicContact CB-CG1 4.02Å; L148-I150 PolarHBondContact O-N 3.03Å; I150-A154 HydrophobicContact CG2-CB 3.44Å; I150-A154 VanDerWaalsContact CG2-CB 3.44Å | ||
| 151 | S | 86 | Confident | 83.5 | Confident | 70 Ų | 70 | 69.8 Ų | 69.8 | 49% | 0.49 | 43% | 0.427 | S | S | . | . | trans | -70 | 153.3 | 178.8 | 65.9 | 0 | 0 | 0 | 0 | 112.4 | M153 A154 A155 | S151-M153 VanDerWaalsContact C-N 3.27Å; S151-M153 PolarHBondContact O-N 3.32Å; S151-A154 WeakPolarHBondContact O-CA 3.42Å; S151-A154 WeakPolarHBondContact O-CB 3.09Å; S151-A154 PolarHBondContact O-N 2.85Å; S151-A154 WeakPolarHBondContact OG-CB 3.5Å; S151-A154 PolarHBondContact OG-N 3.07Å; S151-A155 PolarHBondContact O-N 3.4Å | ||
| 152 | T | 85.9 | Confident | 83.8 | Confident | 84 Ų | 84 | 69.9 Ų | 69.9 | 52% | 0.515 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -52.3 | -44.1 | 176.2 | 66.3 | 0 | 0 | 0 | 0 | 112 | E141 A154 A155 A156 | E141-T152 WeakPolarHBondContact OE1-CB 3.3Å; E141-T152 WeakPolarHBondContact OE1-CG2 3.29Å; T152-A154 VanDerWaalsContact C-N 3.32Å; T152-A154 PolarHBondContact O-N 3.34Å; T152-A155 PolarHBondContact O-N 3.04Å; T152-A156 PolarHBondContact O-N 3.47Å |
| 153 | M | 87.8 | Confident | 84.3 | Confident | 160 Ų | 160 | 65.9 Ų | 65.9 | 79% | 0.788 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64.1 | -32.6 | 175 | -65.6 | -170.1 | -160.6 | 0 | 0 | 113.5 | S151 A157 | S151-M153 VanDerWaalsContact C-N 3.27Å; S151-M153 PolarHBondContact O-N 3.32Å; M153-A157 PolarHBondContact O-N 2.88Å |
| 154 | A | 88.1 | Confident | 84.8 | Confident | 34 Ų | 34 | 65.7 Ų | 65.7 | 28% | 0.281 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -76.1 | -35.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I150 S151 T152 A157 L158 | I150-A154 HydrophobicContact CG2-CB 3.44Å; I150-A154 VanDerWaalsContact CG2-CB 3.44Å; S151-A154 WeakPolarHBondContact O-CA 3.42Å; S151-A154 WeakPolarHBondContact O-CB 3.09Å; S151-A154 PolarHBondContact O-N 2.85Å; S151-A154 WeakPolarHBondContact OG-CB 3.5Å; S151-A154 PolarHBondContact OG-N 3.07Å; T152-A154 VanDerWaalsContact C-N 3.32Å; T152-A154 PolarHBondContact O-N 3.34Å; A154-A157 PolarHBondContact O-N 2.81Å; A154-L158 WeakPolarHBondContact O-CG 3.49Å; A154-L158 PolarHBondContact O-N 3.1Å |
| 155 | A | 88.3 | Confident | 85.7 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.008 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I140 E141 S151 T152 A157 L158 G159 | I140-A155 HydrophobicContact CB-CB 4.37Å; I140-A155 HydrophobicContact CG2-CB 3.92Å; E141-A155 HydrophobicContact CB-CB 3.72Å; E141-A155 HydrophobicContact CG-CB 4.44Å; S151-A155 PolarHBondContact O-N 3.4Å; T152-A155 PolarHBondContact O-N 3.04Å; A155-A157 PolarHBondContact O-N 3.47Å; A155-L158 PolarHBondContact O-N 3.15Å; A155-G159 PolarHBondContact O-N 2.93Å |
| 156 | A | 88.3 | Confident | 86.5 | Confident | 46 Ų | 46 | 68.7 Ų | 68.7 | 38% | 0.38 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T152 L158 G159 N160 | T152-A156 PolarHBondContact O-N 3.47Å; A156-L158 VanDerWaalsContact C-N 3.33Å; A156-L158 PolarHBondContact O-N 3.4Å; A156-G159 WeakPolarHBondContact O-CA 3.47Å; A156-G159 PolarHBondContact O-N 3.06Å; A156-N160 PolarHBondContact O-N 2.92Å |
| 157 | A | 91.8 | Very high | 87.2 | Confident | 63 Ų | 63 | 63 Ų | 63 | 52% | 0.521 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.7 | -37.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M153 A154 A155 N160 L161 | M153-A157 PolarHBondContact O-N 2.88Å; A154-A157 PolarHBondContact O-N 2.81Å; A155-A157 PolarHBondContact O-N 3.47Å; A157-N160 PolarHBondContact O-N 3.39Å; A157-L161 PolarHBondContact O-N 3.28Å; A157-L161 VanDerWaalsContact O-N 3.08Å |
| 158 | L | 91.1 | Very high | 88 | Confident | 69 Ų | 69 | 64.8 Ų | 64.8 | 36% | 0.361 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.6 | -37.6 | 172.6 | -69.9 | 170.7 | 0 | 0 | 0 | 111.8 | I140 A154 A155 A156 N160 L161 V162 | I140-L158 HydrophobicContact CD1-CB 3.87Å; I140-L158 HydrophobicContact CG2-CB 4.5Å; I140-L158 HydrophobicContact CG2-CD1 3.96Å; A154-L158 WeakPolarHBondContact O-CG 3.49Å; A154-L158 PolarHBondContact O-N 3.1Å; A155-L158 PolarHBondContact O-N 3.15Å; A156-L158 VanDerWaalsContact C-N 3.33Å; A156-L158 PolarHBondContact O-N 3.4Å; L158-N160 VanDerWaalsContact C-N 3.33Å; L158-N160 PolarHBondContact O-N 3.08Å; L158-L161 WeakPolarHBondContact O-CB 3.33Å; L158-L161 PolarHBondContact O-N 3.08Å; L158-V162 WeakPolarHBondContact O-CG2 3.47Å; L158-V162 PolarHBondContact O-N 3.44Å |
| 159 | G | 92.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -56.7 | -46 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A155 A156 L161 V162 S163 | A155-G159 PolarHBondContact O-N 2.93Å; A156-G159 WeakPolarHBondContact O-CA 3.47Å; A156-G159 PolarHBondContact O-N 3.06Å; G159-L161 VanDerWaalsContact C-N 3.34Å; G159-L161 PolarHBondContact O-N 2.95Å; G159-V162 PolarHBondContact O-N 3.48Å; G159-S163 VanDerWaalsContact O-CB 3.23Å; G159-S163 WeakPolarHBondContact O-CB 3.27Å; G159-S163 PolarHBondContact O-N 2.91Å |
| 160 | N | 94.1 | Very high | 88.6 | Confident | 60 Ų | 60 | 61.2 Ų | 61.2 | 32% | 0.321 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 176.6 | -168.5 | 100.6 | 0 | 0 | 0 | 111.3 | M133 A156 A157 L158 S163 D164 | M133-N160 HydrophobicContact CG-CB 4.25Å; M133-N160 HydrophobicContact SD-CB 4.16Å; A156-N160 PolarHBondContact O-N 2.92Å; A157-N160 PolarHBondContact O-N 3.39Å; L158-N160 VanDerWaalsContact C-N 3.33Å; L158-N160 PolarHBondContact O-N 3.08Å; N160-S163 WeakPolarHBondContact O-CB 3.35Å; N160-S163 PolarHBondContact O-N 3.49Å; N160-D164 PolarHBondContact ND2-OD2 3.5Å; N160-D164 PolarHBondContact O-N 3.02Å |
| 161 | L | 92.4 | Very high | 88.3 | Confident | 93 Ų | 93 | 61.1 Ų | 61.1 | 49% | 0.487 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.5 | -47.7 | 175.7 | 175.9 | 65.4 | 0 | 0 | 0 | 112.1 | A157 L158 G159 S163 D164 L165 | A157-L161 PolarHBondContact O-N 3.28Å; A157-L161 VanDerWaalsContact O-N 3.08Å; L158-L161 WeakPolarHBondContact O-CB 3.33Å; L158-L161 PolarHBondContact O-N 3.08Å; G159-L161 VanDerWaalsContact C-N 3.34Å; G159-L161 PolarHBondContact O-N 2.95Å; L161-S163 VanDerWaalsContact C-N 3.25Å; L161-S163 PolarHBondContact O-N 3.35Å; L161-D164 PolarHBondContact O-N 3.15Å; L161-L165 HydrophobicContact CD1-CD1 3.7Å; L161-L165 HydrophobicContact CG-CD1 4.05Å; L161-L165 WeakPolarHBondContact O-CD1 3.32Å; L161-L165 PolarHBondContact O-N 3.36Å; L161-L165 VanDerWaalsContact O-N 3.13Å |
| 162 | V | 93.1 | Very high | 87.9 | Confident | 68 Ų | 68 | 60.1 Ų | 60.1 | 41% | 0.412 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.2 | -42 | 177.4 | 169.9 | 0 | 0 | 0 | 0 | 110.4 | I132 A136 L158 G159 L165 A166 | I132-V162 HydrophobicContact CG2-CG1 4.24Å; A136-V162 HydrophobicContact CB-CB 4.46Å; A136-V162 HydrophobicContact CB-CG1 4.18Å; L158-V162 WeakPolarHBondContact O-CG2 3.47Å; L158-V162 PolarHBondContact O-N 3.44Å; G159-V162 PolarHBondContact O-N 3.48Å; V162-L165 PolarHBondContact O-N 3.15Å; V162-A166 WeakPolarHBondContact O-CB 3.15Å; V162-A166 PolarHBondContact O-N 3.27Å |
| 163 | S | 92.6 | Very high | 87.5 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.007 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 178 | -173.2 | 0 | 0 | 0 | 0 | 113.2 | D129 G159 N160 L161 L165 A166 G167 | D129-S163 VanDerWaalsContact C-OG 3.28Å; D129-S163 WeakPolarHBondContact CA-OG 3.47Å; D129-S163 PolarHBondContact O-OG 3.29Å; D129-S163 WeakPolarHBondContact OD1-CB 3.43Å; D129-S163 PolarHBondContact OD1-OG 3.14Å; G159-S163 VanDerWaalsContact O-CB 3.23Å; G159-S163 WeakPolarHBondContact O-CB 3.27Å; G159-S163 PolarHBondContact O-N 2.91Å; N160-S163 WeakPolarHBondContact O-CB 3.35Å; N160-S163 PolarHBondContact O-N 3.49Å; L161-S163 VanDerWaalsContact C-N 3.25Å; L161-S163 PolarHBondContact O-N 3.35Å; S163-L165 VanDerWaalsContact C-N 3.32Å; S163-L165 PolarHBondContact O-N 3.05Å; S163-A166 CarbonylContact O-C 3.56Å; S163-A166 WeakPolarHBondContact O-CB 3.24Å; S163-A166 PolarHBondContact O-N 2.98Å; S163-A166 VanDerWaalsContact O-N 3.14Å; S163-G167 PolarHBondContact O-N 3.32Å |
| 164 | D | 91.6 | Very high | 87 | Confident | 68 Ų | 68 | 56.4 Ų | 56.4 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60 | -42.3 | 175.9 | -77.5 | -39 | 0 | 0 | 0 | 111.7 | N160 L161 G167 L168 | N160-D164 PolarHBondContact ND2-OD2 3.5Å; N160-D164 PolarHBondContact O-N 3.02Å; L161-D164 PolarHBondContact O-N 3.15Å; D164-G167 PolarHBondContact O-N 3.01Å; D164-L168 WeakPolarHBondContact O-CG 3.19Å; D164-L168 PolarHBondContact O-N 3.49Å |
| 165 | L | 91.4 | Very high | 86.2 | Confident | 114 Ų | 114 | 61.1 Ų | 61.1 | 60% | 0.597 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.3 | -43.2 | 174.8 | -91.2 | 93.1 | 0 | 0 | 0 | 111.8 | L161 V162 S163 L168 G169 | L161-L165 HydrophobicContact CD1-CD1 3.7Å; L161-L165 HydrophobicContact CG-CD1 4.05Å; L161-L165 WeakPolarHBondContact O-CD1 3.32Å; L161-L165 PolarHBondContact O-N 3.36Å; L161-L165 VanDerWaalsContact O-N 3.13Å; V162-L165 PolarHBondContact O-N 3.15Å; S163-L165 VanDerWaalsContact C-N 3.32Å; S163-L165 PolarHBondContact O-N 3.05Å; L165-L168 PolarHBondContact O-N 3.04Å; L165-G169 PolarHBondContact O-N 3.35Å; L165-G169 VanDerWaalsContact O-N 3.15Å |
| 166 | A | 88.9 | Confident | 85.6 | Confident | 28 Ų | 28 | 63.1 Ų | 63.1 | 23% | 0.231 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64 | -42.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I132 V162 S163 L168 G169 L170 | I132-A166 HydrophobicContact CD1-CB 3.79Å; V162-A166 WeakPolarHBondContact O-CB 3.15Å; V162-A166 PolarHBondContact O-N 3.27Å; S163-A166 CarbonylContact O-C 3.56Å; S163-A166 WeakPolarHBondContact O-CB 3.24Å; S163-A166 PolarHBondContact O-N 2.98Å; S163-A166 VanDerWaalsContact O-N 3.14Å; A166-L168 VanDerWaalsContact C-N 3.33Å; A166-L168 PolarHBondContact O-N 3.14Å; A166-G169 CarbonylContact O-C 3.57Å; A166-G169 PolarHBondContact O-N 3.35Å; A166-G169 VanDerWaalsContact O-N 3.1Å; A166-L170 HydrophobicContact CB-CD1 4.15Å; A166-L170 VanDerWaalsContact O-CB 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.22Å; A166-L170 WeakPolarHBondContact O-CD1 3.07Å; A166-L170 WeakPolarHBondContact O-CG 3.17Å; A166-L170 PolarHBondContact O-N 3.11Å |
| 167 | G | 85.2 | Confident | 84.8 | Confident | 7 Ų | 7 | 64.5 Ų | 64.5 | 7% | 0.072 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.4 | -39.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | S163 D164 L170 A171 | S163-G167 PolarHBondContact O-N 3.32Å; D164-G167 PolarHBondContact O-N 3.01Å; G167-L170 PolarHBondContact O-N 2.72Å; G167-A171 PolarHBondContact O-N 3.44Å; G167-A171 VanDerWaalsContact O-N 3.08Å |
| 168 | L | 83.9 | Confident | 84 | Confident | 142 Ų | 142 | 61.9 Ų | 61.9 | 74% | 0.743 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.3 | -43.3 | 171.9 | -77.2 | 158.9 | 0 | 0 | 0 | 112.1 | D164 L165 A166 | D164-L168 WeakPolarHBondContact O-CG 3.19Å; D164-L168 PolarHBondContact O-N 3.49Å; L165-L168 PolarHBondContact O-N 3.04Å; A166-L168 VanDerWaalsContact C-N 3.33Å; A166-L168 PolarHBondContact O-N 3.14Å |
| 169 | G | 83.1 | Confident | 83.1 | Confident | 66 Ų | 66 | 62.3 Ų | 62.3 | 68% | 0.68 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -70.6 | -30.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L165 A166 | L165-G169 PolarHBondContact O-N 3.35Å; L165-G169 VanDerWaalsContact O-N 3.15Å; A166-G169 CarbonylContact O-C 3.57Å; A166-G169 PolarHBondContact O-N 3.35Å; A166-G169 VanDerWaalsContact O-N 3.1Å |
| 170 | L | 80.6 | Confident | 82.1 | Confident | 58 Ų | 58 | 72.9 Ų | 72.9 | 30% | 0.304 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -93 | -5.6 | -175.5 | -64.8 | 164.6 | 0 | 0 | 0 | 112.9 | L128 I132 A166 G167 G172 Y173 V174 | L128-L170 HydrophobicContact CD2-CB 4.05Å; L128-L170 HydrophobicContact CD2-CD1 3.44Å; L128-L170 VanDerWaalsContact CD2-CD1 3.44Å; L128-L170 HydrophobicContact CD2-CG 4.27Å; L128-L170 HydrophobicContact CG-CD1 4.37Å; I132-L170 HydrophobicContact CD1-CD1 4.34Å; A166-L170 HydrophobicContact CB-CD1 4.15Å; A166-L170 VanDerWaalsContact O-CB 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.22Å; A166-L170 WeakPolarHBondContact O-CD1 3.07Å; A166-L170 WeakPolarHBondContact O-CG 3.17Å; A166-L170 PolarHBondContact O-N 3.11Å; G167-L170 PolarHBondContact O-N 2.72Å; L170-G172 VanDerWaalsContact C-N 3.28Å; L170-G172 PolarHBondContact O-N 3.19Å; L170-Y173 WeakPolarHBondContact O-CA 3.48Å; L170-Y173 WeakPolarHBondContact O-CB 3.35Å; L170-Y173 PolarHBondContact O-N 3.19Å; L170-V174 WeakPolarHBondContact O-CG2 3.47Å; L170-V174 PolarHBondContact O-N 2.87Å |
| 171 | A | 78.2 | Confident | 80.9 | Confident | 52 Ų | 52 | 75.8 Ų | 75.8 | 43% | 0.43 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -51.7 | -44.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G167 Y173 V174 E175 | G167-A171 PolarHBondContact O-N 3.44Å; G167-A171 VanDerWaalsContact O-N 3.08Å; A171-Y173 VanDerWaalsContact C-N 3.32Å; A171-Y173 PolarHBondContact O-N 3.28Å; A171-V174 PolarHBondContact O-N 2.82Å; A171-E175 WeakPolarHBondContact O-CB 3.45Å; A171-E175 PolarHBondContact O-N 3.22Å |
| 172 | G | 76.3 | Confident | 79.5 | Confident | 48 Ų | 48 | 74 Ų | 74 | 50% | 0.495 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -68.2 | -28.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L170 A176 | L170-G172 VanDerWaalsContact C-N 3.28Å; L170-G172 PolarHBondContact O-N 3.19Å; G172-A176 WeakPolarHBondContact O-CB 3.17Å; G172-A176 PolarHBondContact O-N 3Å |
| 173 | Y | 77.4 | Confident | 78 | Confident | 147 Ų | 147 | 72.4 Ų | 72.4 | 58% | 0.576 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -74.3 | -40.5 | 175.5 | -172.2 | -104.9 | 0 | 0 | 0 | 111.5 | L170 A171 E175 A176 L177 | L170-Y173 WeakPolarHBondContact O-CA 3.48Å; L170-Y173 WeakPolarHBondContact O-CB 3.35Å; L170-Y173 PolarHBondContact O-N 3.19Å; A171-Y173 VanDerWaalsContact C-N 3.32Å; A171-Y173 PolarHBondContact O-N 3.28Å; Y173-E175 VanDerWaalsContact C-N 3.32Å; Y173-A176 PolarHBondContact O-N 3.32Å; Y173-L177 HydrophobicContact CD1-CD1 3.61Å; Y173-L177 HydrophobicContact CD1-CG 4.39Å; Y173-L177 HydrophobicContact CE1-CD1 3.23Å; Y173-L177 HydrophobicContact CE1-CG 4.03Å; Y173-L177 WeakPolarHBondContact O-CB 2.78Å; Y173-L177 PolarHBondContact O-N 2.87Å |
| 174 | V | 77.7 | Confident | 76.5 | Confident | 20 Ų | 20 | 79.4 Ų | 79.4 | 12% | 0.121 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 173.6 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | P121 L170 A171 L177 A178 | P121-V174 HydrophobicContact CB-CG1 3.9Å; P121-V174 WeakPolarHBondContact O-CG1 3.32Å; L170-V174 WeakPolarHBondContact O-CG2 3.47Å; L170-V174 PolarHBondContact O-N 2.87Å; A171-V174 PolarHBondContact O-N 2.82Å; V174-L177 PolarHBondContact O-N 2.98Å; V174-A178 VanDerWaalsContact O-CB 3.28Å; V174-A178 WeakPolarHBondContact O-CB 3.43Å; V174-A178 PolarHBondContact O-N 2.95Å |
| 175 | E | 72.6 | Confident | 75 | Confident | 133 Ų | 133 | 81.4 Ų | 81.4 | 62% | 0.621 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65.1 | -41.4 | 175.2 | -171.7 | 171.6 | -168.2 | 0 | 0 | 112.2 | A171 Y173 A178 S179 | A171-E175 WeakPolarHBondContact O-CB 3.45Å; A171-E175 PolarHBondContact O-N 3.22Å; Y173-E175 VanDerWaalsContact C-N 3.32Å; E175-A178 PolarHBondContact O-N 3.13Å; E175-S179 WeakPolarHBondContact O-CB 3.47Å; E175-S179 PolarHBondContact O-N 2.77Å; E175-S179 PolarHBondContact O-OG 3.35Å |
| 176 | A | 75 | Confident | 73.6 | Confident | 43 Ų | 43 | 77.2 Ų | 77.2 | 36% | 0.355 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G172 Y173 S179 R180 | G172-A176 WeakPolarHBondContact O-CB 3.17Å; G172-A176 PolarHBondContact O-N 3Å; Y173-A176 PolarHBondContact O-N 3.32Å; A176-S179 PolarHBondContact O-N 2.99Å; A176-R180 WeakPolarHBondContact O-CB 3.47Å; A176-R180 VanDerWaalsContact O-CG 3.3Å; A176-R180 WeakPolarHBondContact O-CG 3.32Å; A176-R180 PolarHBondContact O-N 2.6Å |
| 177 | L | 70.7 | Confident | 72.1 | Confident | 75 Ų | 75 | 83.2 Ų | 83.2 | 39% | 0.393 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.8 | -45.9 | 174.4 | -92.3 | 166.6 | 0 | 0 | 0 | 111.6 | Y173 V174 S179 R180 L181 | Y173-L177 HydrophobicContact CD1-CD1 3.61Å; Y173-L177 HydrophobicContact CD1-CG 4.39Å; Y173-L177 HydrophobicContact CE1-CD1 3.23Å; Y173-L177 HydrophobicContact CE1-CG 4.03Å; Y173-L177 WeakPolarHBondContact O-CB 2.78Å; Y173-L177 PolarHBondContact O-N 2.87Å; V174-L177 PolarHBondContact O-N 2.98Å; L177-S179 VanDerWaalsContact C-N 3.26Å; L177-S179 PolarHBondContact O-N 3.45Å; L177-R180 PolarHBondContact O-N 3.46Å; L177-R180 VanDerWaalsContact O-N 3.14Å; L177-L181 VanDerWaalsContact O-CG 3.31Å; L177-L181 WeakPolarHBondContact O-CG 3.24Å; L177-L181 PolarHBondContact O-N 3.14Å |
| 178 | A | 75.2 | Confident | 70.9 | Confident | 8 Ų | 8 | 84.7 Ų | 84.7 | 7% | 0.066 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -58.7 | -40.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | P121 V174 E175 L181 M183 | P121-A178 HydrophobicContact CG-CB 3.94Å; V174-A178 VanDerWaalsContact O-CB 3.28Å; V174-A178 WeakPolarHBondContact O-CB 3.43Å; V174-A178 PolarHBondContact O-N 2.95Å; E175-A178 PolarHBondContact O-N 3.13Å; A178-L181 PolarHBondContact O-N 3.39Å; A178-M183 HydrophobicContact CB-CE 3.98Å |
| 179 | S | 73.1 | Confident | 69.9 | Low | 77 Ų | 77 | 80 Ų | 80 | 54% | 0.538 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.9 | -40.6 | 175 | -56.5 | 0 | 0 | 0 | 0 | 112.3 | E175 A176 L177 L181 G182 | E175-S179 WeakPolarHBondContact O-CB 3.47Å; E175-S179 PolarHBondContact O-N 2.77Å; E175-S179 PolarHBondContact O-OG 3.35Å; A176-S179 PolarHBondContact O-N 2.99Å; L177-S179 VanDerWaalsContact C-N 3.26Å; L177-S179 PolarHBondContact O-N 3.45Å; S179-L181 VanDerWaalsContact C-N 3.31Å; S179-L181 PolarHBondContact O-N 3.37Å; S179-G182 PolarHBondContact O-N 2.95Å; S179-G182 VanDerWaalsContact O-N 3.11Å |
| 180 | R | 71.9 | Confident | 68.7 | Low | 222 Ų | 222 | 77.2 Ų | 77.2 | 84% | 0.838 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -69 | -26.7 | 177 | -77.6 | -176.5 | 176.4 | -149.7 | -0.2 | 113.6 | A176 L177 G182 | A176-R180 WeakPolarHBondContact O-CB 3.47Å; A176-R180 VanDerWaalsContact O-CG 3.3Å; A176-R180 WeakPolarHBondContact O-CG 3.32Å; A176-R180 PolarHBondContact O-N 2.6Å; L177-R180 PolarHBondContact O-N 3.46Å; L177-R180 VanDerWaalsContact O-N 3.14Å; R180-G182 PolarHBondContact O-N 2.75Å |
| 181 | L | 68.7 | Low | 67.6 | Low | 122 Ų | 122 | 78 Ų | 78 | 64% | 0.639 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | 5.2 | 171.6 | -69.4 | 169.2 | 0 | 0 | 0 | 112.8 | V120 L177 A178 S179 | V120-L181 HydrophobicContact CG1-CD1 4.17Å; L177-L181 VanDerWaalsContact O-CG 3.31Å; L177-L181 WeakPolarHBondContact O-CG 3.24Å; L177-L181 PolarHBondContact O-N 3.14Å; A178-L181 PolarHBondContact O-N 3.39Å; S179-L181 VanDerWaalsContact C-N 3.31Å; S179-L181 PolarHBondContact O-N 3.37Å |
| 182 | G | 62.3 | Low | 66.7 | Low | 55 Ų | 55 | 76.2 Ų | 76.2 | 57% | 0.567 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 15.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | S179 R180 Q184 | S179-G182 PolarHBondContact O-N 2.95Å; S179-G182 VanDerWaalsContact O-N 3.11Å; R180-G182 PolarHBondContact O-N 2.75Å; G182-Q184 PolarHBondContact O-N 3.39Å; G182-Q184 VanDerWaalsContact O-N 3.12Å |
| 183 | M | 61.9 | Low | 66 | Low | 35 Ų | 35 | 75.6 Ų | 75.6 | 17% | 0.172 | 40% | 0.401 | C | S | . | . | trans | -76.1 | 101 | 173.6 | -58.6 | -162.7 | -27.5 | 0 | 0 | 109.5 | H117 V120 P121 A178 | H117-M183 HydrophobicContact CB-CE 4.36Å; H117-M183 VanDerWaalsContact O-CE 3.27Å; H117-M183 WeakPolarHBondContact O-CE 3.46Å; V120-M183 HydrophobicContact CB-CE 4Å; V120-M183 HydrophobicContact CB-SD 3.54Å; V120-M183 VanDerWaalsContact CB-SD 3.54Å; V120-M183 HydrophobicContact CG1-CE 4.36Å; V120-M183 HydrophobicContact CG1-SD 3.93Å; V120-M183 HydrophobicContact CG2-SD 3.6Å; V120-M183 VanDerWaalsContact CG2-SD 3.6Å; P121-M183 HydrophobicContact CG-CE 4.21Å; A178-M183 HydrophobicContact CB-CE 3.98Å | ||
| 184 | Q | 59.7 | Low | 65.5 | Low | 147 Ų | 147 | 74.6 Ų | 74.6 | 69% | 0.687 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -78.2 | 151.3 | 168.9 | -64.3 | -173.8 | 18.7 | 0 | 0 | 109.9 | Y113 H117 G182 | Y113-Q184 VanDerWaalsContact CE1-O 3.25Å; Y113-Q184 WeakPolarHBondContact CE1-O 3.22Å; Y113-Q184 PolarHBondContact OH-N 3.45Å; Y113-Q184 PolarHBondContact OH-O 2.87Å; H117-Q184 PolarHBondContact CD2-O 3.13Å; G182-Q184 PolarHBondContact O-N 3.39Å; G182-Q184 VanDerWaalsContact O-N 3.12Å |
| 185 | V | 61.1 | Low | 65.4 | Low | 111 Ų | 111 | 76.2 Ų | 76.2 | 67% | 0.673 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 132.8 | 175.3 | 179.6 | 0 | 0 | 0 | 0 | 108.7 | D187 | V185-D187 PolarHBondContact O-N 3.01Å; V185-D187 VanDerWaalsContact O-N 3.08Å |
| 186 | P | 62 | Low | 65.5 | Low | 25 Ų | 25 | 78.6 Ų | 78.6 | 16% | 0.162 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 117.3 | 177.9 | -20.6 | 30.4 | 0 | 0 | 0 | 110.2 | Y113 V114 H117 L188 | Y113-P186 HydrophobicContact CD1-CB 3.79Å; Y113-P186 HydrophobicContact CD1-CG 3.78Å; Y113-P186 HydrophobicContact CE1-CB 4.03Å; Y113-P186 HydrophobicContact CE1-CG 3.85Å; V114-P186 HydrophobicContact CG2-CB 3.85Å; V114-P186 HydrophobicContact CG2-CG 3.96Å; H117-P186 HydrophobicContact CB-CG 4.2Å; P186-L188 HydrophobicContact CB-CD1 4.23Å; P186-L188 HydrophobicContact CB-CG 4.01Å; P186-L188 PolarHBondContact O-N 3.04Å |
| 187 | D | 57.8 | Low | 65.5 | Low | 154 Ų | 154 | 81.2 Ų | 81.2 | 82% | 0.824 | 42% | 0.421 | S | S | * | . | trans | -69.1 | 81.2 | 171.1 | -83.4 | -28.7 | 0 | 0 | 0 | 109.3 | V185 | V185-D187 PolarHBondContact O-N 3.01Å; V185-D187 VanDerWaalsContact O-N 3.08Å | ||
| 188 | L | 59.6 | Low | 65.9 | Low | 39 Ų | 39 | 78.2 Ų | 78.2 | 20% | 0.204 | 41% | 0.406 | C | S | . | . | trans | -98.1 | 135.7 | 173.3 | -65.5 | 171.9 | 0 | 0 | 0 | 108.8 | Q110 V114 P186 Q192 A193 T198 | Q110-L188 HydrophobicContact CB-CD2 4.35Å; V114-L188 HydrophobicContact CG2-CD1 3.73Å; V114-L188 HydrophobicContact CG2-CD2 4.31Å; V114-L188 HydrophobicContact CG2-CG 4.34Å; P186-L188 HydrophobicContact CB-CD1 4.23Å; P186-L188 HydrophobicContact CB-CG 4.01Å; P186-L188 PolarHBondContact O-N 3.04Å; L188-Q192 HydrophobicContact CB-CB 4.5Å; L188-A193 HydrophobicContact CB-CB 4.4Å; L188-T198 HydrophobicContact CD1-CG2 3.48Å; L188-T198 VanDerWaalsContact CD1-CG2 3.48Å | ||
| 189 | T | 63.1 | Low | 66.2 | Low | 43 Ų | 43 | 84.2 Ų | 84.2 | 26% | 0.264 | 43% | 0.427 | S | S | . | . | trans | -65.9 | 151.6 | 170.4 | 50.5 | 0 | 0 | 0 | 0 | 110.5 | Q98 K191 Q192 A193 | Q98-T189 VanDerWaalsContact NE2-CG2 3.32Å; T189-K191 VanDerWaalsContact C-N 3.25Å; T189-K191 PolarHBondContact O-N 2.52Å; T189-K191 VanDerWaalsContact O-N 3.15Å; T189-Q192 WeakPolarHBondContact O-CA 3.27Å; T189-Q192 WeakPolarHBondContact O-CB 3.17Å; T189-Q192 PolarHBondContact O-N 2.63Å; T189-Q192 WeakPolarHBondContact OG1-CG 3.5Å; T189-Q192 PolarHBondContact OG1-OE1 3.31Å; T189-A193 PolarHBondContact O-N 3.37Å | ||
| 190 | P | 57.4 | Low | 66.7 | Low | 8 Ų | 8 | 84.1 Ų | 84.1 | 5% | 0.052 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -46.8 | -46.7 | -178.4 | -32.8 | 36.6 | 0 | 0 | 0 | 114 | F91 K94 A95 Q192 A193 D194 | F91-P190 HydrophobicContact CD1-CB 4.17Å; F91-P190 HydrophobicContact CD1-CG 4.17Å; F91-P190 HydrophobicContact CD2-CB 4.34Å; F91-P190 HydrophobicContact CD2-CG 3.82Å; F91-P190 HydrophobicContact CE1-CB 3.52Å; F91-P190 HydrophobicContact CE1-CG 3.98Å; F91-P190 HydrophobicContact CE2-CB 3.72Å; F91-P190 HydrophobicContact CE2-CG 3.6Å; F91-P190 HydrophobicContact CG-CG 4.11Å; F91-P190 HydrophobicContact CZ-CB 3.28Å; F91-P190 HydrophobicContact CZ-CG 3.71Å; K94-P190 HydrophobicContact CB-CG 4.31Å; A95-P190 HydrophobicContact CB-CB 4.19Å; A95-P190 HydrophobicContact CB-CG 4.32Å; P190-Q192 VanDerWaalsContact C-N 3.31Å; P190-Q192 PolarHBondContact O-N 2.71Å; P190-A193 PolarHBondContact O-N 3.34Å; P190-D194 PolarHBondContact O-N 3.22Å |
| 191 | K | 58.1 | Low | 67.3 | Low | 74 Ų | 74 | 73.9 Ų | 73.9 | 32% | 0.322 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.4 | -29.5 | 178.5 | -70.4 | -175.8 | 175.4 | 176.4 | 0 | 113 | Q98 P103 T189 M195 | Q98-K191 PolarHBondContact O-NZ 2.71Å; P103-K191 HydrophobicContact CB-CD 4.29Å; T189-K191 VanDerWaalsContact C-N 3.25Å; T189-K191 PolarHBondContact O-N 2.52Å; T189-K191 VanDerWaalsContact O-N 3.15Å; K191-M195 WeakPolarHBondContact O-CG 3.13Å |
| 192 | Q | 59.3 | Low | 68 | Low | 15 Ų | 15 | 69.1 Ų | 69.1 | 7% | 0.07 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -81.5 | -31.7 | 178.6 | -71.4 | 175.9 | -34.9 | 0 | 0 | 112.8 | S104 L188 T189 P190 D194 M195 T198 | S104-Q192 PolarHBondContact O-NE2 3.22Å; L188-Q192 HydrophobicContact CB-CB 4.5Å; T189-Q192 WeakPolarHBondContact O-CA 3.27Å; T189-Q192 WeakPolarHBondContact O-CB 3.17Å; T189-Q192 PolarHBondContact O-N 2.63Å; T189-Q192 WeakPolarHBondContact OG1-CG 3.5Å; T189-Q192 PolarHBondContact OG1-OE1 3.31Å; P190-Q192 VanDerWaalsContact C-N 3.31Å; P190-Q192 PolarHBondContact O-N 2.71Å; Q192-D194 VanDerWaalsContact C-N 3.31Å; Q192-D194 PolarHBondContact O-N 2.75Å; Q192-M195 HydrophobicContact CG-SD 4.42Å; Q192-M195 PolarHBondContact O-N 2.77Å; Q192-T198 WeakPolarHBondContact O-CB 3.43Å; Q192-T198 PolarHBondContact O-OG1 3.45Å |
| 193 | A | 61.6 | Low | 69.3 | Low | 34 Ų | 34 | 71.7 Ų | 71.7 | 28% | 0.281 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.5 | -38.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L188 T189 P190 M195 | L188-A193 HydrophobicContact CB-CB 4.4Å; T189-A193 PolarHBondContact O-N 3.37Å; P190-A193 PolarHBondContact O-N 3.34Å; A193-M195 VanDerWaalsContact C-N 3.32Å; A193-M195 PolarHBondContact O-N 3.4Å |
| 194 | D | 67.4 | Low | 70.6 | Confident | 126 Ų | 126 | 74.5 Ų | 74.5 | 67% | 0.674 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -8.5 | -179.7 | -77.1 | -23.4 | 0 | 0 | 0 | 114.3 | P190 Q192 | P190-D194 PolarHBondContact O-N 3.22Å; Q192-D194 VanDerWaalsContact C-N 3.31Å; Q192-D194 PolarHBondContact O-N 2.75Å |
| 195 | M | 74.8 | Confident | 72 | Confident | 55 Ų | 55 | 67.5 Ų | 67.5 | 27% | 0.271 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -65.9 | 140.5 | 179.8 | -62.3 | -174.4 | 98.3 | 0 | 0 | 111.5 | P106 K191 Q192 A193 Q197 T198 R199 | P106-M195 WeakPolarHBondContact CD-SD 3.47Å; P106-M195 HydrophobicContact CG-SD 4.39Å; K191-M195 WeakPolarHBondContact O-CG 3.13Å; Q192-M195 HydrophobicContact CG-SD 4.42Å; Q192-M195 PolarHBondContact O-N 2.77Å; A193-M195 VanDerWaalsContact C-N 3.32Å; A193-M195 PolarHBondContact O-N 3.4Å; M195-Q197 PolarHBondContact O-N 3.43Å; M195-Q197 VanDerWaalsContact O-N 3.16Å; M195-T198 PolarHBondContact O-N 3.05Å; M195-R199 PolarHBondContact O-N 3Å; M195-R199 VanDerWaalsContact O-N 3.11Å |
| 196 | W | 74.4 | Confident | 73.4 | Confident | 182 Ų | 182 | 65.3 Ų | 65.3 | 69% | 0.689 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -52.1 | -38.4 | 175 | 175.5 | -100.6 | 0 | 0 | 0 | 112.7 | T198 R199 L200 | W196-T198 PolarHBondContact O-N 2.92Å; W196-R199 PolarHBondContact O-N 3.41Å; W196-L200 VanDerWaalsContact O-CB 3.24Å; W196-L200 WeakPolarHBondContact O-CB 3.23Å; W196-L200 PolarHBondContact O-N 3.18Å |
| 197 | Q | 76.3 | Confident | 74.9 | Confident | 99 Ų | 99 | 66.7 Ų | 66.7 | 46% | 0.463 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 178.7 | -67.7 | 179.5 | -12.3 | 0 | 0 | 112.4 | M195 S201 | M195-Q197 PolarHBondContact O-N 3.43Å; M195-Q197 VanDerWaalsContact O-N 3.16Å; Q197-S201 VanDerWaalsContact O-CB 3.32Å; Q197-S201 WeakPolarHBondContact O-CB 3.11Å; Q197-S201 PolarHBondContact O-N 2.81Å |
| 198 | T | 77.9 | Confident | 76.5 | Confident | 11 Ų | 11 | 62.6 Ų | 62.6 | 7% | 0.067 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.2 | -44.3 | 178.2 | -55.4 | 0 | 0 | 0 | 0 | 111 | V114 L188 Q192 M195 W196 L200 S201 S202 | V114-T198 HydrophobicContact CG1-CG2 4.29Å; V114-T198 HydrophobicContact CG2-CG2 4.44Å; L188-T198 HydrophobicContact CD1-CG2 3.48Å; L188-T198 VanDerWaalsContact CD1-CG2 3.48Å; Q192-T198 WeakPolarHBondContact O-CB 3.43Å; Q192-T198 PolarHBondContact O-OG1 3.45Å; M195-T198 PolarHBondContact O-N 3.05Å; W196-T198 PolarHBondContact O-N 2.92Å; T198-L200 PolarHBondContact O-N 3.31Å; T198-S201 PolarHBondContact O-N 3.18Å; T198-S202 PolarHBondContact O-N 2.86Å |
| 199 | R | 81.7 | Confident | 78.1 | Confident | 135 Ų | 135 | 60.7 Ų | 60.7 | 51% | 0.509 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 177.3 | -66.4 | -179.2 | 63.3 | -163.7 | -2.1 | 111.4 | M195 W196 S202 H203 | M195-R199 PolarHBondContact O-N 3Å; M195-R199 VanDerWaalsContact O-N 3.11Å; W196-R199 PolarHBondContact O-N 3.41Å; R199-S202 PolarHBondContact O-N 3.37Å; R199-H203 PolarHBondContact O-CD2 2.79Å; R199-H203 PolarHBondContact O-N 2.92Å |
| 200 | L | 84.1 | Confident | 79.5 | Confident | 75 Ų | 75 | 61.8 Ų | 61.8 | 39% | 0.393 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 175.5 | -177.8 | 62.4 | 0 | 0 | 0 | 110.8 | W196 T198 S202 H203 M204 | W196-L200 VanDerWaalsContact O-CB 3.24Å; W196-L200 WeakPolarHBondContact O-CB 3.23Å; W196-L200 PolarHBondContact O-N 3.18Å; T198-L200 PolarHBondContact O-N 3.31Å; L200-S202 VanDerWaalsContact C-N 3.35Å; L200-S202 PolarHBondContact O-N 3.33Å; L200-H203 PolarHBondContact O-N 2.91Å; L200-M204 HydrophobicContact CD1-CG 4.15Å; L200-M204 HydrophobicContact CD1-SD 4.29Å; L200-M204 HydrophobicContact CD2-SD 4.47Å; L200-M204 HydrophobicContact CG-CG 4.27Å; L200-M204 HydrophobicContact CG-SD 3.99Å; L200-M204 WeakPolarHBondContact O-CB 3.44Å; L200-M204 VanDerWaalsContact O-CG 3.29Å; L200-M204 WeakPolarHBondContact O-CG 3.46Å; L200-M204 PolarHBondContact O-N 3.17Å |
| 201 | S | 83.4 | Confident | 81.3 | Confident | 7 Ų | 7 | 65.2 Ų | 65.2 | 5% | 0.049 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.7 | -42.9 | 176.5 | -173.9 | 0 | 0 | 0 | 0 | 112.1 | I111 L115 Q197 T198 H203 M204 G205 | I111-S201 PolarHBondContact O-OG 2.84Å; L115-S201 WeakPolarHBondContact CD1-O 3.33Å; Q197-S201 VanDerWaalsContact O-CB 3.32Å; Q197-S201 WeakPolarHBondContact O-CB 3.11Å; Q197-S201 PolarHBondContact O-N 2.81Å; T198-S201 PolarHBondContact O-N 3.18Å; S201-H203 PolarHBondContact O-N 3.45Å; S201-M204 PolarHBondContact O-N 3.31Å; S201-G205 PolarHBondContact O-N 2.88Å |
| 202 | S | 85 | Confident | 83.1 | Confident | 22 Ų | 22 | 65.2 Ų | 65.2 | 15% | 0.154 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60 | -49 | 174.8 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | N118 T198 R199 L200 G205 K206 | N118-S202 VanDerWaalsContact CG-OG 3.29Å; N118-S202 PolarHBondContact OD1-OG 3.42Å; T198-S202 PolarHBondContact O-N 2.86Å; R199-S202 PolarHBondContact O-N 3.37Å; L200-S202 VanDerWaalsContact C-N 3.35Å; L200-S202 PolarHBondContact O-N 3.33Å; S202-G205 PolarHBondContact O-N 3.37Å; S202-K206 WeakPolarHBondContact O-CG 3.44Å; S202-K206 PolarHBondContact O-N 3.22Å; S202-K206 VanDerWaalsContact O-N 3.08Å |
| 203 | H | 89 | Confident | 84.7 | Confident | 109 Ų | 109 | 64.5 Ų | 64.5 | 51% | 0.505 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 179.6 | -71.5 | -59.8 | 0 | 0 | 0 | 112.8 | R199 L200 S201 G205 K206 A207 | R199-H203 PolarHBondContact O-CD2 2.79Å; R199-H203 PolarHBondContact O-N 2.92Å; L200-H203 PolarHBondContact O-N 2.91Å; S201-H203 PolarHBondContact O-N 3.45Å; H203-G205 VanDerWaalsContact C-N 3.34Å; H203-K206 PolarHBondContact O-N 3.42Å; H203-A207 PolarHBondContact O-N 3.37Å |
| 204 | M | 89.2 | Confident | 86.2 | Confident | 93 Ų | 93 | 64.2 Ų | 64.2 | 46% | 0.458 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 174.2 | -74.3 | -174.9 | 68.4 | 0 | 0 | 111.5 | L115 L200 S201 K206 A207 I208 | L115-M204 HydrophobicContact CD1-CB 3.9Å; L200-M204 HydrophobicContact CD1-CG 4.15Å; L200-M204 HydrophobicContact CD1-SD 4.29Å; L200-M204 HydrophobicContact CD2-SD 4.47Å; L200-M204 HydrophobicContact CG-CG 4.27Å; L200-M204 HydrophobicContact CG-SD 3.99Å; L200-M204 WeakPolarHBondContact O-CB 3.44Å; L200-M204 VanDerWaalsContact O-CG 3.29Å; L200-M204 WeakPolarHBondContact O-CG 3.46Å; L200-M204 PolarHBondContact O-N 3.17Å; S201-M204 PolarHBondContact O-N 3.31Å; M204-K206 VanDerWaalsContact C-N 3.31Å; M204-K206 PolarHBondContact O-N 3.33Å; M204-A207 PolarHBondContact O-N 3.47Å; M204-I208 WeakPolarHBondContact O-CB 3.44Å; M204-I208 VanDerWaalsContact O-CG1 3.24Å; M204-I208 WeakPolarHBondContact O-CG1 3.16Å; M204-I208 PolarHBondContact O-N 3.06Å |
| 205 | G | 87.9 | Confident | 87.5 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.8 | -46.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A119 S201 S202 H203 G209 | A119-G205 VanDerWaalsContact CA-O 3.25Å; A119-G205 WeakPolarHBondContact CA-O 3.38Å; A119-G205 WeakPolarHBondContact CB-O 3.5Å; S201-G205 PolarHBondContact O-N 2.88Å; S202-G205 PolarHBondContact O-N 3.37Å; H203-G205 VanDerWaalsContact C-N 3.34Å; G205-G209 PolarHBondContact O-N 3.22Å |
| 206 | K | 91.2 | Very high | 88.3 | Confident | 65 Ų | 65 | 64.9 Ų | 64.9 | 28% | 0.283 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.3 | -48.5 | 175.7 | -63.6 | 175.2 | -177.9 | 171.1 | 0 | 112.1 | N118 F122 S202 H203 M204 G209 I210 | N118-K206 HydrophobicContact CB-CG 4.2Å; N118-K206 VanDerWaalsContact OD1-CE 3.3Å; N118-K206 WeakPolarHBondContact OD1-CE 3.43Å; F122-K206 HydrophobicContact CD1-CB 4.31Å; F122-K206 HydrophobicContact CD2-CB 4.22Å; F122-K206 HydrophobicContact CD2-CG 3.75Å; F122-K206 HydrophobicContact CE1-CB 4.38Å; F122-K206 HydrophobicContact CE1-CD 4.49Å; F122-K206 HydrophobicContact CE1-CG 4.33Å; F122-K206 HydrophobicContact CE2-CB 4.29Å; F122-K206 HydrophobicContact CE2-CD 3.87Å; F122-K206 HydrophobicContact CE2-CG 3.51Å; F122-K206 HydrophobicContact CG-CB 4.19Å; F122-K206 HydrophobicContact CG-CG 4.23Å; F122-K206 HydrophobicContact CZ-CB 4.36Å; F122-K206 HydrophobicContact CZ-CD 3.8Å; F122-K206 HydrophobicContact CZ-CG 3.81Å; S202-K206 WeakPolarHBondContact O-CG 3.44Å; S202-K206 PolarHBondContact O-N 3.22Å; S202-K206 VanDerWaalsContact O-N 3.08Å; H203-K206 PolarHBondContact O-N 3.42Å; M204-K206 VanDerWaalsContact C-N 3.31Å; M204-K206 PolarHBondContact O-N 3.33Å; K206-G209 PolarHBondContact O-N 3.41Å; K206-I210 VanDerWaalsContact O-CG1 3.31Å; K206-I210 WeakPolarHBondContact O-CG1 3.4Å; K206-I210 PolarHBondContact O-N 3Å |
| 207 | A | 92.8 | Very high | 89 | Confident | 54 Ų | 54 | 56.2 Ų | 56.2 | 45% | 0.446 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.7 | -45.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | H203 M204 G209 T211 | H203-A207 PolarHBondContact O-N 3.37Å; M204-A207 PolarHBondContact O-N 3.47Å; A207-G209 VanDerWaalsContact C-N 3.33Å; A207-T211 WeakPolarHBondContact O-CB 3.18Å; A207-T211 PolarHBondContact O-N 2.86Å; A207-T211 PolarHBondContact O-OG1 3.28Å |
| 208 | I | 92.9 | Very high | 89.6 | Confident | 68 Ų | 68 | 55.5 Ų | 55.5 | 35% | 0.349 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 176 | -68 | 167.2 | 0 | 0 | 0 | 109.9 | L115 M204 T211 I212 | L115-I208 HydrophobicContact CD1-CD1 4.31Å; M204-I208 WeakPolarHBondContact O-CB 3.44Å; M204-I208 VanDerWaalsContact O-CG1 3.24Å; M204-I208 WeakPolarHBondContact O-CG1 3.16Å; M204-I208 PolarHBondContact O-N 3.06Å; I208-T211 PolarHBondContact O-N 2.9Å; I208-I212 HydrophobicContact CG2-CD1 3.62Å; I208-I212 HydrophobicContact CG2-CG1 4.31Å; I208-I212 WeakPolarHBondContact O-CG1 3.38Å; I208-I212 PolarHBondContact O-N 2.88Å |
| 209 | G | 92.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.1 | -52.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I123 G205 K206 A207 T211 I212 G213 | I123-G209 VanDerWaalsContact CA-O 3.28Å; I123-G209 WeakPolarHBondContact CA-O 3.44Å; I123-G209 WeakPolarHBondContact CG1-O 3.24Å; I123-G209 PolarHBondContact N-O 3.02Å; G205-G209 PolarHBondContact O-N 3.22Å; K206-G209 PolarHBondContact O-N 3.41Å; A207-G209 VanDerWaalsContact C-N 3.33Å; G209-T211 VanDerWaalsContact C-N 3.32Å; G209-T211 PolarHBondContact O-N 2.84Å; G209-I212 PolarHBondContact O-N 3.45Å; G209-G213 PolarHBondContact O-N 2.92Å |
| 210 | I | 93.4 | Very high | 90 | Very high | 65 Ų | 65 | 55.4 Ų | 55.4 | 33% | 0.333 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56 | -48.6 | 175.2 | -67.6 | 166.4 | 0 | 0 | 0 | 110.1 | F122 K206 I212 G213 C214 | F122-I210 HydrophobicContact CB-CG1 4.05Å; F122-I210 HydrophobicContact CD1-CD1 3.82Å; F122-I210 HydrophobicContact CD1-CG1 3.7Å; F122-I210 HydrophobicContact CE1-CD1 4.39Å; F122-I210 HydrophobicContact CG-CG1 4.32Å; K206-I210 VanDerWaalsContact O-CG1 3.31Å; K206-I210 WeakPolarHBondContact O-CG1 3.4Å; K206-I210 PolarHBondContact O-N 3Å; I210-I212 PolarHBondContact O-N 3.29Å; I210-G213 PolarHBondContact O-N 3.23Å; I210-C214 WeakPolarHBondContact O-CB 3.31Å; I210-C214 PolarHBondContact O-N 3.22Å; I210-C214 PolarHBondContact O-SG 3.46Å |
| 211 | T | 94.6 | Very high | 89.9 | Confident | 81 Ų | 81 | 55.7 Ų | 55.7 | 50% | 0.497 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.5 | -49.1 | -177.4 | -55.1 | 0 | 0 | 0 | 0 | 111.8 | A207 I208 G209 I215 | A207-T211 WeakPolarHBondContact O-CB 3.18Å; A207-T211 PolarHBondContact O-N 2.86Å; A207-T211 PolarHBondContact O-OG1 3.28Å; I208-T211 PolarHBondContact O-N 2.9Å; G209-T211 VanDerWaalsContact C-N 3.32Å; G209-T211 PolarHBondContact O-N 2.84Å; T211-I215 HydrophobicContact CG2-CD1 4.21Å; T211-I215 VanDerWaalsContact O-CG1 3.29Å; T211-I215 WeakPolarHBondContact O-CG1 3.49Å; T211-I215 PolarHBondContact O-N 3.31Å; T211-I215 VanDerWaalsContact O-N 3.11Å |
| 212 | I | 95 | Very high | 89.6 | Confident | 74 Ų | 74 | 61 Ų | 61 | 38% | 0.379 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 178.5 | -66.4 | 170.9 | 0 | 0 | 0 | 110.5 | I123 I208 G209 I210 C214 I215 L216 | I123-I212 HydrophobicContact CD1-CG2 4.37Å; I123-I212 HydrophobicContact CG1-CB 4.31Å; I123-I212 HydrophobicContact CG1-CG2 4.36Å; I123-I212 HydrophobicContact CG2-CG2 4.4Å; I208-I212 HydrophobicContact CG2-CD1 3.62Å; I208-I212 HydrophobicContact CG2-CG1 4.31Å; I208-I212 WeakPolarHBondContact O-CG1 3.38Å; I208-I212 PolarHBondContact O-N 2.88Å; G209-I212 PolarHBondContact O-N 3.45Å; I210-I212 PolarHBondContact O-N 3.29Å; I212-C214 PolarHBondContact O-N 3.18Å; I212-I215 PolarHBondContact O-N 2.82Å; I212-L216 HydrophobicContact CG2-CD1 4.02Å; I212-L216 HydrophobicContact CG2-CG 4.41Å; I212-L216 WeakPolarHBondContact O-CG 2.82Å; I212-L216 PolarHBondContact O-N 3.46Å |
| 213 | G | 93.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -55.3 | -50.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I123 G126 F127 G209 I210 I215 L216 G217 | I123-G213 VanDerWaalsContact O-CA 3.23Å; I123-G213 WeakPolarHBondContact O-CA 3.49Å; G126-G213 CarbonylContact C-O 3.5Å; G126-G213 CarbonylContact O-C 3.49Å; F127-G213 WeakPolarHBondContact CA-O 3.39Å; F127-G213 PolarHBondContact N-O 3.49Å; G209-G213 PolarHBondContact O-N 2.92Å; I210-G213 PolarHBondContact O-N 3.23Å; G213-I215 VanDerWaalsContact C-N 3.31Å; G213-I215 PolarHBondContact O-N 2.91Å; G213-L216 PolarHBondContact O-N 2.72Å; G213-L216 VanDerWaalsContact O-N 3.16Å; G213-G217 PolarHBondContact O-N 3.46Å |
| 214 | C | 93.4 | Very high | 88.2 | Confident | 27 Ų | 27 | 62.1 Ų | 62.1 | 18% | 0.182 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.5 | -40.7 | 177.2 | -71.8 | 0 | 0 | 0 | 0 | 112.4 | N130 I210 I212 G217 M218 | N130-C214 VanDerWaalsContact ND2-CA 3.27Å; N130-C214 WeakPolarHBondContact ND2-CA 3.46Å; N130-C214 WeakPolarHBondContact ND2-CB 3.23Å; N130-C214 PolarHBondContact ND2-O 2.99Å; I210-C214 WeakPolarHBondContact O-CB 3.31Å; I210-C214 PolarHBondContact O-N 3.22Å; I210-C214 PolarHBondContact O-SG 3.46Å; I212-C214 PolarHBondContact O-N 3.18Å; C214-G217 PolarHBondContact O-N 2.98Å; C214-M218 WeakPolarHBondContact O-CG 3.42Å; C214-M218 PolarHBondContact O-N 3.39Å |
| 215 | I | 93.2 | Very high | 86.8 | Confident | 106 Ų | 106 | 60.6 Ų | 60.6 | 54% | 0.544 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 176 | -67.6 | 164.8 | 0 | 0 | 0 | 111 | T211 I212 G213 G217 M218 | T211-I215 HydrophobicContact CG2-CD1 4.21Å; T211-I215 VanDerWaalsContact O-CG1 3.29Å; T211-I215 WeakPolarHBondContact O-CG1 3.49Å; T211-I215 PolarHBondContact O-N 3.31Å; T211-I215 VanDerWaalsContact O-N 3.11Å; I212-I215 PolarHBondContact O-N 2.82Å; G213-I215 VanDerWaalsContact C-N 3.31Å; G213-I215 PolarHBondContact O-N 2.91Å; I215-G217 VanDerWaalsContact C-N 3.31Å; I215-G217 PolarHBondContact O-N 3.08Å; I215-M218 HydrophobicContact CB-CE 4.35Å; I215-M218 HydrophobicContact CG1-CE 4.19Å; I215-M218 PolarHBondContact O-N 3.41Å |
| 216 | L | 92.1 | Very high | 85.4 | Confident | 90 Ų | 90 | 65.6 Ų | 65.6 | 47% | 0.471 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.8 | -36.4 | 176.7 | -65.3 | 173.8 | 0 | 0 | 0 | 111.8 | I123 F127 I212 G213 M218 F219 | I123-L216 HydrophobicContact CG2-CD1 4.14Å; F127-L216 HydrophobicContact CD2-CB 3.85Å; I212-L216 HydrophobicContact CG2-CD1 4.02Å; I212-L216 HydrophobicContact CG2-CG 4.41Å; I212-L216 WeakPolarHBondContact O-CG 2.82Å; I212-L216 PolarHBondContact O-N 3.46Å; G213-L216 PolarHBondContact O-N 2.72Å; G213-L216 VanDerWaalsContact O-N 3.16Å; L216-M218 PolarHBondContact O-N 3Å; L216-F219 WeakPolarHBondContact O-CB 3.48Å; L216-F219 PolarHBondContact O-N 2.63Å; L216-F219 VanDerWaalsContact O-N 3.1Å |
| 217 | G | 89.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70.9 | -12.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F127 N130 A131 G213 C214 I215 F219 P220 | F127-G217 WeakPolarHBondContact O-CA 3.06Å; N130-G217 CarbonylContact C-O 3.59Å; A131-G217 WeakPolarHBondContact CA-O 3.34Å; A131-G217 PolarHBondContact N-O 3.34Å; G213-G217 PolarHBondContact O-N 3.46Å; C214-G217 PolarHBondContact O-N 2.98Å; I215-G217 VanDerWaalsContact C-N 3.31Å; I215-G217 PolarHBondContact O-N 3.08Å; G217-F219 PolarHBondContact O-N 3.17Å; G217-P220 WeakPolarHBondContact O-CD 3.36Å |
| 218 | M | 89.6 | Confident | 82.2 | Confident | 84 Ų | 84 | 68.9 Ų | 68.9 | 41% | 0.414 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -4.2 | 169.1 | -72.7 | -173.9 | -72.5 | 0 | 0 | 113.2 | I134 C214 I215 L216 P220 L221 | I134-M218 HydrophobicContact CD1-CG 4.37Å; C214-M218 WeakPolarHBondContact O-CG 3.42Å; C214-M218 PolarHBondContact O-N 3.39Å; I215-M218 HydrophobicContact CB-CE 4.35Å; I215-M218 HydrophobicContact CG1-CE 4.19Å; I215-M218 PolarHBondContact O-N 3.41Å; L216-M218 PolarHBondContact O-N 3Å; M218-P220 VanDerWaalsContact C-N 3.31Å; M218-L221 HydrophobicContact CB-CD1 4.15Å; M218-L221 HydrophobicContact CG-CD1 4.3Å; M218-L221 VanDerWaalsContact O-CB 3.3Å; M218-L221 WeakPolarHBondContact O-CB 3.39Å; M218-L221 WeakPolarHBondContact O-CG 3.06Å; M218-L221 PolarHBondContact O-N 3.47Å |
| 219 | F | 87.2 | Confident | 80.6 | Confident | 116 Ų | 116 | 71 Ų | 71 | 51% | 0.509 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -39.2 | 177 | 176.7 | -104.4 | 0 | 0 | 0 | 115.1 | L216 G217 L221 L222 F223 | L216-F219 WeakPolarHBondContact O-CB 3.48Å; L216-F219 PolarHBondContact O-N 2.63Å; L216-F219 VanDerWaalsContact O-N 3.1Å; G217-F219 PolarHBondContact O-N 3.17Å; F219-L221 PolarHBondContact O-N 3.1Å; F219-L221 VanDerWaalsContact O-N 3.14Å; F219-L222 HydrophobicContact CD2-CD1 3.98Å; F219-L222 HydrophobicContact CE2-CD1 4.39Å; F219-L222 WeakPolarHBondContact O-CB 3.39Å; F219-L222 PolarHBondContact O-N 3.06Å; F219-F223 HydrophobicContact CD1-CE2 4.03Å; F219-F223 HydrophobicContact CD2-CE2 4.42Å; F219-F223 HydrophobicContact CE1-CD2 4.26Å; F219-F223 AromaticContact CE1-CE2 3.37Å; F219-F223 HydrophobicContact CE1-CE2 3.37Å; F219-F223 HydrophobicContact CE1-CZ 4.11Å; F219-F223 AromaticContact CE2-CE2 3.82Å; F219-F223 HydrophobicContact CE2-CE2 3.82Å; F219-F223 HydrophobicContact CE2-CZ 4.31Å; F219-F223 HydrophobicContact CZ-CD2 4.46Å; F219-F223 AromaticContact CZ-CE2 3.28Å; F219-F223 HydrophobicContact CZ-CE2 3.28Å; F219-F223 AromaticContact CZ-CZ 3.69Å; F219-F223 HydrophobicContact CZ-CZ 3.69Å |
| 220 | P | 81.1 | Confident | 78.9 | Confident | 28 Ų | 28 | 76.3 Ų | 76.3 | 18% | 0.182 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -25 | 177 | -25.8 | 37.2 | 0 | 0 | 0 | 114.4 | A131 I134 G217 M218 L222 F223 L224 | A131-P220 HydrophobicContact CB-CG 4.08Å; I134-P220 HydrophobicContact CB-CB 4.49Å; I134-P220 HydrophobicContact CG2-CB 3.93Å; G217-P220 WeakPolarHBondContact O-CD 3.36Å; M218-P220 VanDerWaalsContact C-N 3.31Å; P220-L222 PolarHBondContact O-N 3.28Å; P220-F223 PolarHBondContact O-N 3.31Å; P220-F223 VanDerWaalsContact O-N 3.15Å; P220-L224 WeakPolarHBondContact O-CG 3.28Å; P220-L224 PolarHBondContact O-N 2.92Å |
| 221 | L | 80.5 | Confident | 77.2 | Confident | 81 Ų | 81 | 79.1 Ų | 79.1 | 42% | 0.424 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.5 | -27.7 | 175.8 | -64.4 | 175.7 | 0 | 0 | 0 | 112.7 | I134 M218 F219 F223 S225 | I134-L221 HydrophobicContact CD1-CD1 4.2Å; I134-L221 HydrophobicContact CD1-CD2 4.17Å; I134-L221 HydrophobicContact CD1-CG 3.85Å; I134-L221 HydrophobicContact CG1-CD2 4.31Å; I134-L221 HydrophobicContact CG2-CD2 3.84Å; I134-L221 HydrophobicContact CG2-CG 4.38Å; M218-L221 HydrophobicContact CB-CD1 4.15Å; M218-L221 HydrophobicContact CG-CD1 4.3Å; M218-L221 VanDerWaalsContact O-CB 3.3Å; M218-L221 WeakPolarHBondContact O-CB 3.39Å; M218-L221 WeakPolarHBondContact O-CG 3.06Å; M218-L221 PolarHBondContact O-N 3.47Å; F219-L221 PolarHBondContact O-N 3.1Å; F219-L221 VanDerWaalsContact O-N 3.14Å; L221-F223 PolarHBondContact O-N 3.36Å; L221-S225 PolarHBondContact O-N 2.91Å; L221-S225 PolarHBondContact O-OG 2.81Å |
| 222 | L | 78.4 | Confident | 75.5 | Confident | 118 Ų | 118 | 82.6 Ų | 82.6 | 62% | 0.618 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -67.3 | -24 | 178.1 | -64 | 177.8 | 0 | 0 | 0 | 112.7 | F219 P220 | F219-L222 HydrophobicContact CD2-CD1 3.98Å; F219-L222 HydrophobicContact CE2-CD1 4.39Å; F219-L222 WeakPolarHBondContact O-CB 3.39Å; F219-L222 PolarHBondContact O-N 3.06Å; P220-L222 PolarHBondContact O-N 3.28Å |
| 223 | F | 75.7 | Confident | 73.4 | Confident | 119 Ų | 119 | 85.7 Ų | 85.7 | 52% | 0.522 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -96 | -34.5 | 178 | -63.6 | -83.9 | 0 | 0 | 0 | 112 | F219 P220 L221 S225 D226 | F219-F223 HydrophobicContact CD1-CE2 4.03Å; F219-F223 HydrophobicContact CD2-CE2 4.42Å; F219-F223 HydrophobicContact CE1-CD2 4.26Å; F219-F223 AromaticContact CE1-CE2 3.37Å; F219-F223 HydrophobicContact CE1-CE2 3.37Å; F219-F223 HydrophobicContact CE1-CZ 4.11Å; F219-F223 AromaticContact CE2-CE2 3.82Å; F219-F223 HydrophobicContact CE2-CE2 3.82Å; F219-F223 HydrophobicContact CE2-CZ 4.31Å; F219-F223 HydrophobicContact CZ-CD2 4.46Å; F219-F223 AromaticContact CZ-CE2 3.28Å; F219-F223 HydrophobicContact CZ-CE2 3.28Å; F219-F223 AromaticContact CZ-CZ 3.69Å; F219-F223 HydrophobicContact CZ-CZ 3.69Å; P220-F223 PolarHBondContact O-N 3.31Å; P220-F223 VanDerWaalsContact O-N 3.15Å; L221-F223 PolarHBondContact O-N 3.36Å; F223-S225 VanDerWaalsContact C-N 3.28Å; F223-S225 PolarHBondContact O-N 3.18Å; F223-D226 PolarHBondContact O-N 2.99Å |
| 224 | L | 67.3 | Low | 71.4 | Confident | 35 Ų | 35 | 92 Ų | 92 | 18% | 0.183 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -66.1 | -30.3 | 178.2 | -72.1 | 166.3 | 0 | 0 | 0 | 113.1 | I134 T138 P220 D226 D227 D228 | I134-L224 HydrophobicContact CG2-CD1 3.43Å; I134-L224 VanDerWaalsContact CG2-CD1 3.43Å; T138-L224 HydrophobicContact CG2-CD2 3.69Å; T138-L224 WeakPolarHBondContact OG1-CD1 3.44Å; P220-L224 WeakPolarHBondContact O-CG 3.28Å; P220-L224 PolarHBondContact O-N 2.92Å; L224-D226 PolarHBondContact O-N 2.91Å; L224-D227 PolarHBondContact O-N 2.73Å; L224-D228 PolarHBondContact O-N 3.41Å |
| 225 | S | 60.1 | Low | 69.5 | Low | 61 Ų | 61 | 94.3 Ų | 94.3 | 43% | 0.427 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.5 | -30.6 | 178.2 | -56.7 | 0 | 0 | 0 | 0 | 112.9 | L221 F223 E229 | L221-S225 PolarHBondContact O-N 2.91Å; L221-S225 PolarHBondContact O-OG 2.81Å; F223-S225 VanDerWaalsContact C-N 3.28Å; F223-S225 PolarHBondContact O-N 3.18Å; S225-E229 WeakPolarHBondContact O-CG 3.42Å; S225-E229 PolarHBondContact O-N 3.32Å |
| 226 | D | 58.6 | Low | 67.4 | Low | 105 Ų | 105 | 91.5 Ų | 91.5 | 56% | 0.561 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -75.8 | -31.7 | 179.1 | -71 | -22 | 0 | 0 | 0 | 111.6 | F223 L224 E230 | F223-D226 PolarHBondContact O-N 2.99Å; L224-D226 PolarHBondContact O-N 2.91Å; D226-E230 WeakPolarHBondContact O-CG 3.45Å |
| 227 | D | 57.7 | Low | 65.4 | Low | 98 Ų | 98 | 90.4 Ų | 90.4 | 52% | 0.524 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -76.3 | -42.3 | -179.6 | -67.5 | -33.3 | 0 | 0 | 0 | 111.7 | L224 E230 E231 | L224-D227 PolarHBondContact O-N 2.73Å; D227-E230 PolarHBondContact O-N 2.85Å; D227-E231 PolarHBondContact O-N 3.21Å |
| 228 | D | 60 | Low | 63.3 | Low | 91 Ų | 91 | 99 Ų | 99 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.9 | -38.5 | -179.9 | -68.4 | -27.7 | 0 | 0 | 0 | 112.2 | L224 E230 E231 E232 | L224-D228 PolarHBondContact O-N 3.41Å; D228-E230 VanDerWaalsContact C-N 3.3Å; D228-E230 PolarHBondContact O-N 2.84Å; D228-E231 PolarHBondContact O-N 3.47Å; D228-E232 PolarHBondContact O-N 2.8Å |
| 229 | E | 58.4 | Low | 61.3 | Low | 111 Ų | 111 | 99.2 Ų | 99.2 | 52% | 0.519 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.1 | -28.8 | 177.2 | -78.6 | -165 | -163.5 | 0 | 0 | 113.2 | S225 K233 | S225-E229 WeakPolarHBondContact O-CG 3.42Å; S225-E229 PolarHBondContact O-N 3.32Å; E229-K233 WeakPolarHBondContact O-CD 3.41Å; E229-K233 VanDerWaalsContact O-CG 3.31Å; E229-K233 WeakPolarHBondContact O-CG 3.2Å; E229-K233 PolarHBondContact O-N 2.76Å; E229-K233 IonicContact OE2-NZ 3.59Å |
| 230 | E | 57.4 | Low | 58.9 | Low | 112 Ų | 112 | 105.1 Ų | 105.1 | 52% | 0.523 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -77.7 | -33.7 | 176 | -75.6 | -164.1 | -175.2 | 0 | 0 | 112.5 | D226 D227 D228 K234 | D226-E230 WeakPolarHBondContact O-CG 3.45Å; D227-E230 PolarHBondContact O-N 2.85Å; D228-E230 VanDerWaalsContact C-N 3.3Å; D228-E230 PolarHBondContact O-N 2.84Å; E230-K234 WeakPolarHBondContact O-CG 3.5Å; E230-K234 PolarHBondContact O-N 3.2Å; E230-K234 VanDerWaalsContact O-N 3.17Å |
| 231 | E | 58.3 | Low | 57.8 | Low | 124 Ų | 124 | 109 Ų | 109 | 58% | 0.579 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -73.4 | -37 | 175.4 | -67.1 | -153.6 | 170.5 | 0 | 0 | 112.8 | D227 D228 K233 K234 S235 | D227-E231 PolarHBondContact O-N 3.21Å; D228-E231 PolarHBondContact O-N 3.47Å; E231-K233 VanDerWaalsContact C-N 3.33Å; E231-K233 PolarHBondContact O-N 3.06Å; E231-K234 PolarHBondContact O-N 3.34Å; E231-S235 WeakPolarHBondContact O-CB 3.47Å; E231-S235 PolarHBondContact O-N 3.39Å; E231-S235 PolarHBondContact O-OG 3.39Å |
| 232 | E | 57.7 | Low | 56.6 | Low | 154 Ų | 154 | 110.4 Ų | 110.4 | 72% | 0.72 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.8 | -38.2 | 171.2 | -77.3 | -162.1 | 167.6 | 0 | 0 | 112 | D228 S235 G236 | D228-E232 PolarHBondContact O-N 2.8Å; E232-S235 WeakPolarHBondContact CA-OG 3.41Å; E232-S235 PolarHBondContact O-OG 3Å; E232-G236 PolarHBondContact O-N 3.44Å; E232-G236 VanDerWaalsContact O-N 3.1Å |
| 233 | K | 51.8 | Low | 55.4 | Low | 139 Ų | 139 | 110 Ų | 110 | 60% | 0.604 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.1 | -33.4 | 176.9 | -76.3 | 170.1 | -170.5 | 143.1 | 0 | 113 | E229 E231 A237 | E229-K233 WeakPolarHBondContact O-CD 3.41Å; E229-K233 VanDerWaalsContact O-CG 3.31Å; E229-K233 WeakPolarHBondContact O-CG 3.2Å; E229-K233 PolarHBondContact O-N 2.76Å; E229-K233 IonicContact OE2-NZ 3.59Å; E231-K233 VanDerWaalsContact C-N 3.33Å; E231-K233 PolarHBondContact O-N 3.06Å; K233-A237 WeakPolarHBondContact O-CB 3.42Å; K233-A237 PolarHBondContact O-N 2.82Å |
| 234 | K | 51.6 | Low | 54.2 | Low | 133 Ų | 133 | 109.5 Ų | 109.5 | 58% | 0.578 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -76.1 | -42.3 | 177.1 | -74.9 | 171.7 | -174.4 | 156.3 | 0 | 112.2 | E230 E231 G236 A237 E238 | E230-K234 WeakPolarHBondContact O-CG 3.5Å; E230-K234 PolarHBondContact O-N 3.2Å; E230-K234 VanDerWaalsContact O-N 3.17Å; E231-K234 PolarHBondContact O-N 3.34Å; K234-G236 VanDerWaalsContact C-N 3.35Å; K234-G236 PolarHBondContact O-N 3.48Å; K234-A237 PolarHBondContact O-N 3.2Å; K234-E238 PolarHBondContact O-N 3.37Å |
| 235 | S | 52.5 | Low | 53.3 | Low | 76 Ų | 76 | 114.1 Ų | 114.1 | 53% | 0.531 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.9 | -31.6 | 177.7 | 56.5 | 0 | 0 | 0 | 0 | 113.3 | E231 E232 | E231-S235 WeakPolarHBondContact O-CB 3.47Å; E231-S235 PolarHBondContact O-N 3.39Å; E231-S235 PolarHBondContact O-OG 3.39Å; E232-S235 WeakPolarHBondContact CA-OG 3.41Å; E232-S235 PolarHBondContact O-OG 3Å |
| 236 | G | 49.4 | Very low | 52.9 | Low | 47 Ų | 47 | 117.7 Ų | 117.7 | 49% | 0.485 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -73 | -24.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E232 K234 | E232-G236 PolarHBondContact O-N 3.44Å; E232-G236 VanDerWaalsContact O-N 3.1Å; K234-G236 VanDerWaalsContact C-N 3.35Å; K234-G236 PolarHBondContact O-N 3.48Å |
| 237 | A | 50.1 | Low | 52.5 | Low | 67 Ų | 67 | 118.6 Ų | 118.6 | 55% | 0.554 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -86.9 | -23.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K233 K234 | K233-A237 WeakPolarHBondContact O-CB 3.42Å; K233-A237 PolarHBondContact O-N 2.82Å; K234-A237 PolarHBondContact O-N 3.2Å |
| 238 | E | 46.4 | Very low | 52.1 | Low | 179 Ų | 179 | 120.2 Ų | 120.2 | 84% | 0.836 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -8 | 174.4 | -70.8 | -173.8 | 159.7 | 0 | 0 | 113.6 | K234 | K234-E238 PolarHBondContact O-N 3.37Š|
| 239 | A | 47.2 | Very low | 51.4 | Low | 90 Ų | 90 | 122.6 Ų | 122.6 | 74% | 0.744 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 12.6 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 240 | Q | 36.2 | Very low | 50.8 | Low | 239 Ų | 239 | 123.6 Ų | 123.6 | 100% | 1.117 | 66% | 0.661 | S | S | * | * | trans | -122.6 | 0 | -178.2 | -148.7 | 171.1 | 21.9 | 0 | 0 | 113.4 |
Retrieved 240 of 240 residues in 261.4 ms
(Link to these results)