| 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 | 35.5 | Very low | 41.6 | Very low | 234 Ų | 234 | 140.2 Ų | 140.2 | 100% | 1.153 | 71% | 0.714 | S | S | * | * | 0 | 95.6 | 0 | -75.4 | 176.5 | 163.7 | 0 | 0 | 108.3 | L3 | M1-L3 PolarHBondContact O-N 3.15Š| |||
| 2 | C | 32.2 | Very low | 41.7 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 95% | 0.946 | 71% | 0.708 | S | S | * | * | trans | -85.7 | 88.2 | -177.4 | -64.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 3 | L | 35.8 | Very low | 41.8 | Very low | 158 Ų | 158 | 134.1 Ų | 134.1 | 83% | 0.827 | 70% | 0.698 | S | S | * | * | trans | -90.8 | 121.7 | 167.7 | -74.7 | 163.4 | 0 | 0 | 0 | 108.5 | M1 W5 | M1-L3 PolarHBondContact O-N 3.15Å; L3-W5 PolarHBondContact O-N 2.96Å | ||
| 4 | S | 40.4 | Very low | 41.9 | Very low | 78 Ų | 78 | 132.7 Ų | 132.7 | 55% | 0.545 | 69% | 0.691 | S | S | . | * | trans | -56.1 | 122.2 | -178.3 | 172.4 | 0 | 0 | 0 | 0 | 112.5 | R6 S7 | S4-R6 PolarHBondContact O-N 3.31Å; S4-S7 WeakPolarHBondContact O-CB 3.48Å; S4-S7 PolarHBondContact O-N 2.99Å | ||
| 5 | W | 44.5 | Very low | 42 | Very low | 187 Ų | 187 | 129.8 Ų | 129.8 | 71% | 0.708 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -56.4 | -21.2 | 176.5 | -73.1 | 83.2 | 0 | 0 | 0 | 113.9 | L3 S7 V8 L323 | L3-W5 PolarHBondContact O-N 2.96Å; W5-S7 PolarHBondContact O-N 3Å; W5-V8 PolarHBondContact O-N 3.48Å; W5-L323 HydrophobicContact CH2-CD1 4.04Å; W5-L323 HydrophobicContact CZ3-CD1 4.44Å |
| 6 | R | 42.3 | Very low | 41.9 | Very low | 211 Ų | 211 | 125.9 Ų | 125.9 | 80% | 0.796 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -61 | -27.2 | 173.4 | -80.8 | -178.2 | 159.2 | 176.1 | -5.5 | 112.8 | S4 Y10 | S4-R6 PolarHBondContact O-N 3.31Å; R6-Y10 PolarHBondContact O-N 2.94Å |
| 7 | S | 43.3 | Very low | 42.1 | Very low | 80 Ų | 80 | 131.8 Ų | 131.8 | 56% | 0.559 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -75.3 | -34.4 | -178.8 | -154.1 | 0 | 0 | 0 | 0 | 112.7 | S4 W5 T11 | S4-S7 WeakPolarHBondContact O-CB 3.48Å; S4-S7 PolarHBondContact O-N 2.99Å; W5-S7 PolarHBondContact O-N 3Å; S7-T11 PolarHBondContact O-N 3.33Å; S7-T11 PolarHBondContact O-OG1 3Å |
| 8 | V | 49.8 | Very low | 41.9 | Very low | 93 Ų | 93 | 129.1 Ų | 129.1 | 56% | 0.564 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -75.7 | -32.1 | -177.7 | -178 | 0 | 0 | 0 | 0 | 112 | W5 T11 | W5-V8 PolarHBondContact O-N 3.48Å; V8-T11 PolarHBondContact O-OG1 3.07Å |
| 9 | L | 45.6 | Very low | 41.6 | Very low | 103 Ų | 103 | 125.9 Ų | 125.9 | 54% | 0.539 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -77.1 | -31.3 | 174.8 | -79.7 | 160.2 | 0 | 0 | 0 | 112.4 | T13 | L9-T13 WeakPolarHBondContact O-CB 3.47Å; L9-T13 PolarHBondContact O-N 3.48Å; L9-T13 VanDerWaalsContact O-N 3.13Å; L9-T13 PolarHBondContact O-OG1 2.88Å |
| 10 | Y | 43.3 | Very low | 41.1 | Very low | 168 Ų | 168 | 128.6 Ų | 128.6 | 66% | 0.659 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -66.9 | -38.4 | 177.5 | -119.5 | -99 | 0 | 0 | 0 | 112 | R6 T13 L14 | R6-Y10 PolarHBondContact O-N 2.94Å; Y10-T13 PolarHBondContact O-N 3.31Å; Y10-L14 HydrophobicContact CD1-CD1 3.43Å; Y10-L14 VanDerWaalsContact CD1-CD1 3.43Å; Y10-L14 HydrophobicContact CE1-CD1 3.92Å; Y10-L14 HydrophobicContact CG-CD1 4.44Å; Y10-L14 WeakPolarHBondContact O-CB 3.47Å; Y10-L14 WeakPolarHBondContact O-CD1 3.46Å; Y10-L14 PolarHBondContact O-N 2.66Å |
| 11 | T | 44.7 | Very low | 40.6 | Very low | 90 Ų | 90 | 131.2 Ų | 131.2 | 55% | 0.552 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -69 | -35.5 | 179.1 | 47.1 | 0 | 0 | 0 | 0 | 113.1 | S7 V8 A15 | S7-T11 PolarHBondContact O-N 3.33Å; S7-T11 PolarHBondContact O-OG1 3Å; V8-T11 PolarHBondContact O-OG1 3.07Å; T11-A15 PolarHBondContact O-N 3.45Å |
| 12 | V | 42.8 | Very low | 40.5 | Very low | 106 Ų | 106 | 127.5 Ų | 127.5 | 64% | 0.642 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -71.8 | -35.1 | 175.2 | 178.5 | 0 | 0 | 0 | 0 | 111.6 | ||
| 13 | T | 43.4 | Very low | 40.6 | Very low | 95 Ų | 95 | 126.1 Ų | 126.1 | 58% | 0.583 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -76.6 | -31 | -178.9 | -45.8 | 0 | 0 | 0 | 0 | 112.5 | L9 Y10 | L9-T13 WeakPolarHBondContact O-CB 3.47Å; L9-T13 PolarHBondContact O-N 3.48Å; L9-T13 VanDerWaalsContact O-N 3.13Å; L9-T13 PolarHBondContact O-OG1 2.88Å; Y10-T13 PolarHBondContact O-N 3.31Å |
| 14 | L | 42.6 | Very low | 40.3 | Very low | 115 Ų | 115 | 122.8 Ų | 122.8 | 60% | 0.602 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -77.1 | -26.6 | 175.9 | -94.9 | 127.5 | 0 | 0 | 0 | 113.6 | Y10 G16 | Y10-L14 HydrophobicContact CD1-CD1 3.43Å; Y10-L14 VanDerWaalsContact CD1-CD1 3.43Å; Y10-L14 HydrophobicContact CE1-CD1 3.92Å; Y10-L14 HydrophobicContact CG-CD1 4.44Å; Y10-L14 WeakPolarHBondContact O-CB 3.47Å; Y10-L14 WeakPolarHBondContact O-CD1 3.46Å; Y10-L14 PolarHBondContact O-N 2.66Å; L14-G16 PolarHBondContact O-N 3.04Å |
| 15 | A | 44.7 | Very low | 40.1 | Very low | 89 Ų | 89 | 124.7 Ų | 124.7 | 74% | 0.736 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -16.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T11 | T11-A15 PolarHBondContact O-N 3.45Š|
| 16 | G | 40.5 | Very low | 39.6 | Very low | 67 Ų | 67 | 122.8 Ų | 122.8 | 69% | 0.691 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | L14 | L14-G16 PolarHBondContact O-N 3.04Š|
| 17 | R | 44.3 | Very low | 39.2 | Very low | 226 Ų | 226 | 120.2 Ų | 120.2 | 85% | 0.853 | 72% | 0.719 | S | S | * | * | trans | -94.1 | 11.1 | -171.2 | -104.4 | -179.5 | 171.6 | -176.7 | -2.6 | 115.9 | ||||
| 18 | G | 38.7 | Very low | 38.5 | Very low | 83 Ų | 83 | 126.8 Ų | 126.8 | 86% | 0.856 | 73% | 0.733 | S | S | * | * | trans | -101.2 | 40.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 19 | G | 35.3 | Very low | 38 | Very low | 70 Ų | 70 | 127.3 Ų | 127.3 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | trans | -104.1 | 101 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 20 | M | 33.1 | Very low | 37.3 | Very low | 178 Ų | 178 | 128.1 Ų | 128.1 | 88% | 0.877 | 74% | 0.741 | S | S | * | * | trans | -62.4 | 128.3 | 173.9 | -166.7 | 169.4 | 135.7 | 0 | 0 | 110.5 | I22 | M20-I22 PolarHBondContact O-N 2.95Š| ||
| 21 | M | 29.3 | Very low | 37 | Very low | 185 Ų | 185 | 129.7 Ų | 129.7 | 91% | 0.911 | 75% | 0.747 | S | S | * | * | trans | -63.3 | 124.3 | 177.6 | -75.1 | -157.3 | -87.2 | 0 | 0 | 111.5 | ||||
| 22 | I | 34.2 | Very low | 36.5 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 80% | 0.795 | 76% | 0.762 | S | S | * | * | trans | -134.1 | 125.9 | 152.1 | -58.4 | -177.9 | 0 | 0 | 0 | 107.8 | M20 | M20-I22 PolarHBondContact O-N 2.95Š| ||
| 23 | S | 34.7 | Very low | 36.2 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | trans | -56.6 | 140.2 | -172.6 | -172.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 24 | A | 29.9 | Very low | 35.8 | Very low | 88 Ų | 88 | 133.2 Ų | 133.2 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -59.7 | 141.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 25 | S | 36 | Very low | 35.6 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -145.1 | 124 | 145.2 | 37 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 26 | D | 32.2 | Very low | 35.2 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | -55.7 | 145 | -179.5 | -60.9 | -62.5 | 0 | 0 | 0 | 112.2 | ||||
| 27 | N | 35.6 | Very low | 35.4 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | trans | -165.2 | 96.9 | 140 | -90.6 | -36.2 | 0 | 0 | 0 | 109.8 | ||||
| 28 | Y | 28 | Very low | 35.2 | Very low | 219 Ų | 219 | 138 Ų | 138 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -74.5 | 114.4 | 162.2 | -166.7 | -92.6 | 0 | 0 | 0 | 107.4 | ||||
| 29 | V | 38.1 | Very low | 35 | Very low | 103 Ų | 103 | 137.1 Ų | 137.1 | 62% | 0.624 | 79% | 0.789 | S | S | * | * | trans | -131.8 | 110.8 | 167.3 | -171.7 | 0 | 0 | 0 | 0 | 108.9 | Y31 | V29-Y31 HydrophobicContact CG1-CD2 3.53Å; V29-Y31 HydrophobicContact CG1-CE2 3.51Å | ||
| 30 | D | 32.2 | Very low | 35.2 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 64% | 0.642 | 80% | 0.802 | S | S | * | * | trans | -68.9 | 129.9 | 168.7 | -163.4 | 3.6 | 0 | 0 | 0 | 109.4 | ||||
| 31 | Y | 36.5 | Very low | 35.3 | Very low | 201 Ų | 201 | 146.2 Ų | 146.2 | 79% | 0.788 | 81% | 0.805 | S | S | * | * | trans | -144.1 | 88.6 | 168.7 | -97.9 | -73.5 | 0 | 0 | 0 | 110.8 | V29 G33 | V29-Y31 HydrophobicContact CG1-CD2 3.53Å; V29-Y31 HydrophobicContact CG1-CE2 3.51Å; Y31-G33 PolarHBondContact O-N 3Å | ||
| 32 | N | 35 | Very low | 35.6 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | -66.2 | 98.1 | 140.3 | -81.8 | -49.3 | 0 | 0 | 0 | 107.9 | ||||
| 33 | G | 35.6 | Very low | 35.6 | Very low | 58 Ų | 58 | 139.6 Ų | 139.6 | 60% | 0.598 | 80% | 0.8 | S | S | * | * | trans | -145.1 | 91.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y31 A35 | Y31-G33 PolarHBondContact O-N 3Å; G33-A35 PolarHBondContact O-N 3.25Å | ||
| 34 | V | 35.4 | Very low | 36.1 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | trans | -60.8 | 116 | 170.8 | 177.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 35 | A | 37.3 | Very low | 36.4 | Very low | 95 Ų | 95 | 141.4 Ų | 141.4 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -134.4 | 107.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | G33 | G33-A35 PolarHBondContact O-N 3.25Š| ||
| 36 | R | 38 | Very low | 36.4 | Very low | 228 Ų | 228 | 144 Ų | 144 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 133.5 | 168.4 | -72 | -178 | 170.7 | -149.9 | -1.2 | 108.8 | T38 | R36-T38 PolarHBondContact O-N 3.37Š|
| 37 | P | 43.6 | Very low | 36.7 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 118.3 | 164.5 | 6.7 | 9.7 | 0 | 0 | 0 | 109.1 | ||
| 38 | T | 39.7 | Very low | 36.7 | Very low | 144 Ų | 144 | 143.4 Ų | 143.4 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 138.7 | 162.4 | 44.5 | 0 | 0 | 0 | 0 | 110.6 | R36 | R36-T38 PolarHBondContact O-N 3.37Š|
| 39 | G | 36.1 | Very low | 37.1 | Very low | 66 Ų | 66 | 141 Ų | 141 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | trans | 128.6 | 64.6 | 150.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 40 | W | 37.9 | Very low | 37 | Very low | 262 Ų | 262 | 144.2 Ų | 144.2 | 99% | 0.992 | 81% | 0.807 | S | S | * | * | trans | -141.3 | 91.9 | 153.3 | -87.2 | 73.6 | 0 | 0 | 0 | 108.2 | ||||
| 41 | N | 36.6 | Very low | 37.4 | Very low | 177 Ų | 177 | 144 Ų | 144 | 95% | 0.947 | 81% | 0.812 | S | S | * | * | trans | -97.3 | 116.6 | 167.4 | -86.3 | -17.8 | 0 | 0 | 0 | 108.3 | ||||
| 42 | G | 35.4 | Very low | 37.3 | Very low | 69 Ų | 69 | 138.8 Ų | 138.8 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | -127.1 | 101.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 43 | C | 34.7 | Very low | 37.7 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | trans | 51.2 | 96.9 | 146.7 | -53.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 44 | I | 44 | Very low | 37.5 | Very low | 173 Ų | 173 | 149.9 Ų | 149.9 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | trans | -129.2 | 117.8 | 141.3 | -60 | 179.6 | 0 | 0 | 0 | 106.6 | ||||
| 45 | G | 36 | Very low | 37.7 | Very low | 65 Ų | 65 | 151.4 Ų | 151.4 | 67% | 0.67 | 82% | 0.821 | S | S | * | * | trans | -79.9 | 144.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 46 | L | 36.5 | Very low | 37.7 | Very low | 172 Ų | 172 | 152.2 Ų | 152.2 | 90% | 0.901 | 82% | 0.816 | S | S | * | * | trans | -169.7 | 141.9 | 144.4 | -98.8 | 145.5 | 0 | 0 | 0 | 108.8 | ||||
| 47 | P | 37.4 | Very low | 38.1 | Very low | 108 Ų | 108 | 151 Ų | 151 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | trans | -106.4 | 176.9 | -157.4 | 39.9 | -32.2 | 0 | 0 | 0 | 114.6 | ||||
| 48 | K | 36.7 | Very low | 38 | Very low | 184 Ų | 184 | 154.3 Ų | 154.3 | 80% | 0.8 | 82% | 0.824 | S | S | * | * | trans | 94.8 | 133.2 | 171 | -67.3 | 177.5 | 171.8 | 176.9 | 0 | 113.9 | ||||
| 49 | M | 36.3 | Very low | 38.1 | Very low | 169 Ų | 169 | 151.2 Ų | 151.2 | 83% | 0.833 | 82% | 0.82 | S | S | * | * | cis | -161 | 139.7 | 12.9 | -114.4 | 163.7 | 164 | 0 | 0 | 107.6 | ||||
| 50 | E | 36.3 | Very low | 38.3 | Very low | 170 Ų | 170 | 157 Ų | 157 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | -85.3 | 162.9 | 169.6 | -136.6 | -168.8 | -144.5 | 0 | 0 | 110 | ||||
| 51 | P | 40.6 | Very low | 38.6 | Very low | 115 Ų | 115 | 153.5 Ų | 153.5 | 75% | 0.747 | 82% | 0.824 | S | S | * | * | -154.6 | 143.7 | 85.2 | 36.1 | -14.8 | 0 | 0 | 0 | 118.2 | |||||
| 52 | S | 35.2 | Very low | 39 | Very low | 91 Ų | 91 | 153.5 Ų | 153.5 | 64% | 0.636 | 82% | 0.815 | S | S | * | * | 49.5 | 119.6 | 121.7 | -134 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 53 | Y | 42.3 | Very low | 39.4 | Very low | 233 Ų | 233 | 157.2 Ų | 157.2 | 91% | 0.914 | 82% | 0.819 | S | S | * | * | -151.1 | 133.7 | 120.8 | 34.8 | -92.7 | 0 | 0 | 0 | 111.7 | |||||
| 54 | R | 30.9 | Very low | 39.6 | Very low | 220 Ų | 220 | 159.9 Ų | 159.9 | 83% | 0.83 | 82% | 0.818 | S | S | * | * | trans | -107.3 | 134.2 | -173.2 | -169.8 | -166.5 | -90.3 | -168.5 | -6.5 | 107.6 | ||||
| 55 | L | 41.2 | Very low | 39.4 | Very low | 179 Ų | 179 | 158.4 Ų | 158.4 | 94% | 0.937 | 82% | 0.818 | S | S | * | * | trans | -133.1 | 115.5 | 157.6 | -89.1 | 169.8 | 0 | 0 | 0 | 109.4 | ||||
| 56 | T | 37.2 | Very low | 39.7 | Very low | 112 Ų | 112 | 161.6 Ų | 161.6 | 69% | 0.687 | 82% | 0.824 | S | S | * | * | trans | -74.1 | 142.4 | 171.4 | 30.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 57 | E | 45 | Very low | 39.8 | Very low | 201 Ų | 201 | 161.8 Ų | 161.8 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | trans | -155.2 | 146.6 | 140.5 | -113.8 | 171.2 | -151.6 | 0 | 0 | 112.5 | ||||
| 58 | H | 42.7 | Very low | 39.5 | Very low | 200 Ų | 200 | 165.8 Ų | 165.8 | 93% | 0.926 | 83% | 0.832 | S | S | * | * | trans | -72.1 | 156.1 | -162.9 | -81.8 | -65.8 | 0 | 0 | 0 | 115.8 | ||||
| 59 | G | 40.7 | Very low | 39.7 | Very low | 78 Ų | 78 | 162.2 Ų | 162.2 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | 165.4 | 95 | 155 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 60 | Q | 39.8 | Very low | 39.7 | Very low | 188 Ų | 188 | 159.3 Ų | 159.3 | 88% | 0.879 | 82% | 0.822 | S | S | * | * | trans | -62.2 | 138.3 | 175.7 | -61.2 | -163.5 | -33.9 | 0 | 0 | 111.9 | ||||
| 61 | H | 44.7 | Very low | 39.7 | Very low | 188 Ų | 188 | 160.8 Ų | 160.8 | 87% | 0.87 | 82% | 0.822 | S | S | * | * | trans | -164.5 | 144.6 | 130.7 | -115.6 | -95.1 | 0 | 0 | 0 | 111.5 | ||||
| 62 | K | 45.7 | Very low | 39.8 | Very low | 177 Ų | 177 | 166.8 Ų | 166.8 | 77% | 0.77 | 83% | 0.83 | S | S | * | * | trans | -72 | 142.2 | -168.4 | -56.8 | 160.8 | 173.7 | 173.1 | 0 | 112.5 | ||||
| 63 | N | 43 | Very low | 40.1 | Very low | 147 Ų | 147 | 171 Ų | 171 | 79% | 0.786 | 84% | 0.839 | S | S | * | * | 158.3 | 121.2 | 118.9 | -77.9 | -20.1 | 0 | 0 | 0 | 113.3 | |||||
| 64 | Q | 39.7 | Very low | 40.1 | Very low | 187 Ų | 187 | 168.6 Ų | 168.6 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | trans | 20.1 | 108.9 | 150 | -69.8 | 169.6 | 3.6 | 0 | 0 | 119.1 | ||||
| 65 | T | 39 | Very low | 40.8 | Very low | 143 Ų | 143 | 163.8 Ų | 163.8 | 88% | 0.877 | 83% | 0.833 | S | S | * | * | trans | -105.7 | 107.6 | 155.1 | 35 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 66 | T | 42.3 | Very low | 40.7 | Very low | 131 Ų | 131 | 160.1 Ų | 160.1 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -77.3 | 131.5 | 164.8 | -54.8 | 0 | 0 | 0 | 0 | 108.6 | M68 | T66-M68 PolarHBondContact O-N 3.04Š| ||
| 67 | E | 38.7 | Very low | 41 | Very low | 176 Ų | 176 | 158.9 Ų | 158.9 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | trans | -56.8 | 123.9 | -179.4 | -67.6 | 176.2 | 145.1 | 0 | 0 | 112.5 | ||||
| 68 | M | 31.7 | Very low | 41 | Very low | 193 Ų | 193 | 154.4 Ų | 154.4 | 95% | 0.951 | 82% | 0.818 | S | S | * | * | trans | -85.4 | 98.9 | 161.7 | -84.5 | 175 | 79.8 | 0 | 0 | 108.7 | T66 | T66-M68 PolarHBondContact O-N 3.04Š| ||
| 69 | T | 39.9 | Very low | 40.7 | Very low | 109 Ų | 109 | 155.2 Ų | 155.2 | 67% | 0.669 | 82% | 0.819 | S | S | * | * | trans | -85 | 107.6 | 159 | 50.3 | 0 | 0 | 0 | 0 | 108.8 | Y71 | T69-Y71 PolarHBondContact O-N 2.89Š| ||
| 70 | S | 36.2 | Very low | 40.6 | Very low | 107 Ų | 107 | 161.9 Ų | 161.9 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | trans | -66 | 111.4 | 174.1 | 53.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 71 | Y | 36.4 | Very low | 40.2 | Very low | 202 Ų | 202 | 162 Ų | 162 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | trans | -83.8 | 125.4 | 164.8 | -93 | -93.3 | 0 | 0 | 0 | 109.8 | T69 H73 | T69-Y71 PolarHBondContact O-N 2.89Å; Y71-H73 PolarHBondContact O-N 3.16Å | ||
| 72 | W | 44.3 | Very low | 39.7 | Very low | 240 Ų | 240 | 158.7 Ų | 158.7 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | trans | -67.1 | 111.5 | 170 | -72.6 | 88.8 | 0 | 0 | 0 | 109.9 | H74 | W72-H74 PolarHBondContact O-N 3.03Š| ||
| 73 | H | 40.6 | Very low | 39.3 | Very low | 181 Ų | 181 | 154.4 Ų | 154.4 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | trans | -76.7 | 114 | 168 | -92 | -87.9 | 0 | 0 | 0 | 109.8 | Y71 | Y71-H73 PolarHBondContact O-N 3.16Š| ||
| 74 | H | 43.4 | Very low | 38.9 | Very low | 181 Ų | 181 | 155.9 Ų | 155.9 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 129.6 | 160.2 | -107.4 | -73.3 | 0 | 0 | 0 | 109.2 | W72 | W72-H74 PolarHBondContact O-N 3.03Š|
| 75 | P | 45.5 | Very low | 38.9 | Very low | 120 Ų | 120 | 153 Ų | 153 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -74 | 145.2 | 179.9 | 29 | -31.8 | 0 | 0 | 0 | 111.7 | ||
| 76 | A | 38.9 | Very low | 38.6 | Very low | 102 Ų | 102 | 152.8 Ų | 152.8 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 129.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 77 | A | 42.6 | Very low | 38.4 | Very low | 86 Ų | 86 | 151 Ų | 151 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 139 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 78 | P | 44.5 | Very low | 38.1 | Very low | 106 Ų | 106 | 152.6 Ų | 152.6 | 69% | 0.688 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 133.6 | -176.4 | 28.7 | -31.7 | 0 | 0 | 0 | 111.6 | Y80 | P78-Y80 HydrophobicContact CG-CE2 4.46Å; P78-Y80 PolarHBondContact O-N 3.42Å |
| 79 | F | 36.7 | Very low | 38.4 | Very low | 217 Ų | 217 | 149.3 Ų | 149.3 | 95% | 0.952 | 80% | 0.801 | S | S | * | * | trans | -60.8 | 114.3 | 169.9 | -90.7 | -97.9 | 0 | 0 | 0 | 110.4 | ||||
| 80 | Y | 38.5 | Very low | 37.9 | Very low | 218 Ų | 218 | 148.7 Ų | 148.7 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | -90.2 | 110.2 | 161.8 | -85.1 | -86.3 | 0 | 0 | 0 | 109.6 | P78 | P78-Y80 HydrophobicContact CG-CE2 4.46Å; P78-Y80 PolarHBondContact O-N 3.42Å | ||
| 81 | F | 32.5 | Very low | 37.8 | Very low | 190 Ų | 190 | 153.6 Ų | 153.6 | 83% | 0.833 | 81% | 0.811 | S | S | * | * | trans | -80.3 | 109.2 | 170.2 | -158.7 | -92.7 | 0 | 0 | 0 | 108.1 | ||||
| 82 | C | 34.1 | Very low | 37.6 | Very low | 120 Ų | 120 | 152.7 Ų | 152.7 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | -95.8 | 98.8 | 172.2 | -171.8 | 0 | 0 | 0 | 0 | 109 | Q84 | C82-Q84 PolarHBondContact O-N 3.27Š| ||
| 83 | S | 36.3 | Very low | 37.2 | Very low | 86 Ų | 86 | 149.5 Ų | 149.5 | 60% | 0.601 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 119.6 | 166.4 | -59 | 0 | 0 | 0 | 0 | 109.4 | ||
| 84 | Q | 36 | Very low | 36.7 | Very low | 178 Ų | 178 | 146.2 Ų | 146.2 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 132.8 | 168.6 | -68.2 | -158.1 | -11.7 | 0 | 0 | 110.4 | C82 | C82-Q84 PolarHBondContact O-N 3.27Š|
| 85 | P | 39.2 | Very low | 36.5 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 121.7 | 160.7 | 25.2 | -13.6 | 0 | 0 | 0 | 110.2 | ||
| 86 | T | 31.9 | Very low | 36.1 | Very low | 140 Ų | 140 | 145.7 Ų | 145.7 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 119.3 | 166.5 | 48.4 | 0 | 0 | 0 | 0 | 110.5 | ||
| 87 | A | 39 | Very low | 35.7 | Very low | 94 Ų | 94 | 144.4 Ų | 144.4 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | trans | -159 | 120.8 | 154.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 88 | K | 32.6 | Very low | 35.3 | Very low | 208 Ų | 208 | 147.2 Ų | 147.2 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | trans | -75 | 125 | 169.8 | -67.3 | 170.5 | 175.6 | 176.1 | 0 | 108.7 | ||||
| 89 | T | 37.2 | Very low | 34.6 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 77% | 0.767 | 81% | 0.814 | S | S | * | * | trans | -143 | 112.8 | 153.1 | 32.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 90 | A | 30 | Very low | 34.7 | Very low | 96 Ų | 96 | 148.9 Ų | 148.9 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | trans | -70.4 | 129.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 91 | Y | 33.8 | Very low | 34.3 | Very low | 209 Ų | 209 | 143.1 Ų | 143.1 | 82% | 0.82 | 80% | 0.801 | S | S | * | * | trans | -130.3 | 113.1 | 163.2 | -102.1 | -87.2 | 0 | 0 | 0 | 108.6 | ||||
| 92 | H | 31.3 | Very low | 34.5 | Very low | 183 Ų | 183 | 144.4 Ų | 144.4 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | trans | -66 | 130.1 | 164.7 | -90.7 | -102 | 0 | 0 | 0 | 108.9 | ||||
| 93 | H | 37 | Very low | 34.6 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 80% | 0.801 | 80% | 0.804 | S | S | * | * | trans | -139.9 | 114.3 | 153 | -106.1 | -76.3 | 0 | 0 | 0 | 110.2 | ||||
| 94 | S | 30.9 | Very low | 34.4 | Very low | 112 Ų | 112 | 147.5 Ų | 147.5 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | trans | -76.3 | 126 | 165.8 | 49.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 95 | E | 38.1 | Very low | 34.7 | Very low | 193 Ų | 193 | 148.5 Ų | 148.5 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | -111.9 | 110.2 | 164.1 | -78.2 | -168.2 | 158.6 | 0 | 0 | 109.4 | ||||
| 96 | A | 37.3 | Very low | 34.7 | Very low | 97 Ų | 97 | 151.2 Ų | 151.2 | 80% | 0.802 | 83% | 0.826 | S | S | * | * | trans | -77.4 | 144.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 97 | G | 30.3 | Very low | 34.9 | Very low | 75 Ų | 75 | 148.8 Ų | 148.8 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | -67.7 | 161.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 98 | I | 33.8 | Very low | 35.1 | Very low | 146 Ų | 146 | 152.4 Ų | 152.4 | 75% | 0.749 | 82% | 0.822 | S | S | * | * | trans | -132 | 101.5 | 159 | -63.4 | -179.4 | 0 | 0 | 0 | 107.1 | R100 | I98-R100 HydrophobicContact CG2-CG 4.28Š| ||
| 99 | V | 30.4 | Very low | 35.6 | Very low | 135 Ų | 135 | 154.2 Ų | 154.2 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -72.7 | 131.1 | 162.7 | 172 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 100 | R | 38 | Very low | 35.7 | Very low | 222 Ų | 222 | 151.4 Ų | 151.4 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | -125.7 | 113.8 | 159.7 | -78 | -171.8 | -173.5 | 158.1 | 3.4 | 109.6 | I98 | I98-R100 HydrophobicContact CG2-CG 4.28Š| ||
| 101 | S | 30.9 | Very low | 36 | Very low | 98 Ų | 98 | 153.3 Ų | 153.3 | 69% | 0.685 | 82% | 0.824 | S | S | * | * | trans | -66.1 | 136.1 | 168.8 | 33.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 102 | F | 36.8 | Very low | 36.6 | Very low | 217 Ų | 217 | 149.2 Ų | 149.2 | 95% | 0.952 | 83% | 0.826 | S | S | * | * | trans | -173 | 131 | 150.4 | -83.4 | -71.5 | 0 | 0 | 0 | 104.5 | ||||
| 103 | G | 35.9 | Very low | 37 | Very low | 74 Ų | 74 | 146.1 Ų | 146.1 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | cis | 176.9 | 132.8 | 2.1 | 0 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 104 | E | 32.2 | Very low | 36.9 | Very low | 197 Ų | 197 | 144.8 Ų | 144.8 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -67.7 | 135.1 | 177.6 | -68.7 | 162.3 | 143.2 | 0 | 0 | 110.2 | ||||
| 105 | E | 41.9 | Very low | 37.4 | Very low | 199 Ų | 199 | 144.1 Ų | 144.1 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | trans | -151.7 | 119.3 | 141.4 | -141 | 171.6 | -174.5 | 0 | 0 | 110.2 | ||||
| 106 | E | 38.7 | Very low | 37.4 | Very low | 183 Ų | 183 | 141.7 Ų | 141.7 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | -79.7 | 166.5 | -176.4 | -73.3 | -179.6 | 123.4 | 0 | 0 | 113.4 | ||||
| 107 | A | 37.6 | Very low | 37.6 | Very low | 88 Ų | 88 | 144.6 Ų | 144.6 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | 84.6 | 108.2 | 143.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 108 | M | 43.2 | Very low | 37.9 | Very low | 171 Ų | 171 | 146.3 Ų | 146.3 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | 166.6 | 142.3 | 100.1 | -88.5 | -137.5 | -157.2 | 0 | 0 | 113.1 | |||||
| 109 | R | 43.4 | Very low | 37.9 | Very low | 245 Ų | 245 | 145.2 Ų | 145.2 | 93% | 0.925 | 82% | 0.819 | S | S | * | * | trans | 74 | 123.5 | 168.9 | -63 | 176.2 | -169.2 | -125.5 | -1 | 115.7 | ||||
| 110 | G | 39.2 | Very low | 38.1 | Very low | 66 Ų | 66 | 143.3 Ų | 143.3 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | cis | 152.5 | 135.5 | 10.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 111 | P | 36.1 | Very low | 37.9 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -86.6 | 136.5 | -170.5 | 33.5 | -30.6 | 0 | 0 | 0 | 110.7 | ||||
| 112 | S | 44.8 | Very low | 38.2 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -120.1 | 131.2 | 163.3 | 45.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 113 | T | 40.4 | Very low | 38.2 | Very low | 119 Ų | 119 | 141 Ų | 141 | 73% | 0.73 | 81% | 0.807 | S | S | * | * | trans | -91.4 | 151.7 | -165.5 | 6.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 114 | I | 35.5 | Very low | 38 | Very low | 145 Ų | 145 | 145.5 Ų | 145.5 | 74% | 0.744 | 81% | 0.813 | S | S | * | * | trans | 68.2 | 108.3 | 144.1 | -55.5 | 158.9 | 0 | 0 | 0 | 117.3 | ||||
| 115 | A | 40.3 | Very low | 38.1 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | -160.7 | 115.2 | 128.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 116 | N | 37.9 | Very low | 37.4 | Very low | 141 Ų | 141 | 134 Ų | 134 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | trans | -65.1 | 142.3 | 170.1 | -55.8 | -39.5 | 0 | 0 | 0 | 109.6 | ||||
| 117 | N | 42.4 | Very low | 37.2 | Very low | 158 Ų | 158 | 133.6 Ų | 133.6 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | -168 | 103.1 | 138.5 | -91.7 | -17.8 | 0 | 0 | 0 | 110.6 | ||||
| 118 | S | 35.6 | Very low | 37 | Very low | 111 Ų | 111 | 139.7 Ų | 139.7 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | 5.3 | 115.1 | 138.6 | -44 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 119 | S | 35.6 | Very low | 36.9 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | 171.9 | 144.1 | 118.9 | -86.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 120 | S | 34.7 | Very low | 36.7 | Very low | 96 Ų | 96 | 136.1 Ų | 136.1 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | trans | 84.5 | 78.5 | 162.4 | -152.8 | 0 | 0 | 0 | 0 | 117.2 | Y122 | S120-Y122 PolarHBondContact O-N 3.24Š| ||
| 121 | T | 33.1 | Very low | 36.9 | Very low | 120 Ų | 120 | 138 Ų | 138 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | -31.4 | 112.7 | 141.4 | 34.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 122 | Y | 36.6 | Very low | 37.3 | Very low | 224 Ų | 224 | 138.1 Ų | 138.1 | 88% | 0.878 | 78% | 0.78 | S | S | * | * | trans | -118.4 | 105.7 | 138.8 | -88.9 | -82.5 | 0 | 0 | 0 | 107.2 | S120 | S120-Y122 PolarHBondContact O-N 3.24Š| ||
| 123 | L | 36.6 | Very low | 37.4 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | -70.6 | 156.5 | 167.8 | -69.1 | 165.1 | 0 | 0 | 0 | 109.8 | ||||
| 124 | N | 32.6 | Very low | 37.6 | Very low | 169 Ų | 169 | 140.8 Ų | 140.8 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | trans | 86 | 117.9 | 163.9 | -68.5 | -21.9 | 0 | 0 | 0 | 118.6 | ||||
| 125 | G | 33.6 | Very low | 38.3 | Very low | 69 Ų | 69 | 139.9 Ų | 139.9 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | 152.1 | 22.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | E127 | G125-E127 VanDerWaalsContact C-N 3.31Å; G125-E127 PolarHBondContact O-N 3.41Å; G125-E127 VanDerWaalsContact O-N 3.1Å | ||
| 126 | G | 27.3 | Very low | 38.5 | Very low | 85 Ų | 85 | 141 Ų | 141 | 88% | 0.876 | 76% | 0.758 | S | S | * | * | trans | -73.9 | 88 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 127 | E | 34.6 | Very low | 38.8 | Very low | 176 Ų | 176 | 137.7 Ų | 137.7 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | trans | -130.3 | 104.4 | 173.3 | -74.6 | -170.2 | 125.6 | 0 | 0 | 110.1 | G125 | G125-E127 VanDerWaalsContact C-N 3.31Å; G125-E127 PolarHBondContact O-N 3.41Å; G125-E127 VanDerWaalsContact O-N 3.1Å | ||
| 128 | R | 34.5 | Very low | 38.7 | Very low | 215 Ų | 215 | 135.7 Ų | 135.7 | 81% | 0.811 | 74% | 0.735 | S | S | * | * | trans | 29 | 92.8 | 143.7 | -61.5 | -178 | -167.7 | 159.4 | 4.1 | 115.7 | ||||
| 129 | K | 39.2 | Very low | 39.1 | Very low | 187 Ų | 187 | 137.4 Ų | 137.4 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -61.2 | 133.7 | 142.9 | -65.9 | 175.8 | 177.3 | 175 | 0 | 106.7 | ||
| 130 | D | 39.9 | Very low | 39.5 | Very low | 154 Ų | 154 | 138 Ų | 138 | 82% | 0.824 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 111 | 2.7 | 155.4 | -44.9 | -31.8 | 0 | 0 | 0 | 121.1 | ||
| 131 | D | 44 | Very low | 39.5 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 57% | 0.572 | 72% | 0.723 | S | S | * | * | trans | -107.7 | -1.1 | -179.4 | -67 | -29.3 | 0 | 0 | 0 | 117.1 | L133 | D131-L133 PolarHBondContact O-N 3.24Š| ||
| 132 | E | 44 | Very low | 39.9 | Very low | 137 Ų | 137 | 137.8 Ų | 137.8 | 64% | 0.64 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | 12.4 | -166 | -77 | -147.2 | 146.3 | 0 | 0 | 117.4 | R182 | E132-R182 IonicContact OE1-NH1 3.28Å; E132-R182 IonicContact OE2-NH1 2.7Å |
| 133 | L | 47.9 | Very low | 40.2 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 84% | 0.843 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -9.6 | 174.6 | -76.6 | 170.3 | 0 | 0 | 0 | 114.8 | D131 | D131-L133 PolarHBondContact O-N 3.24Š|
| 134 | E | 44.9 | Very low | 40.2 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 65% | 0.645 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -84.1 | -18.4 | -176 | -67.5 | -150.9 | 156.2 | 0 | 0 | 115.1 | F136 S137 N138 | E134-F136 PolarHBondContact O-N 3.04Å; E134-S137 PolarHBondContact O-N 2.95Å; E134-N138 PolarHBondContact O-N 3.04Å; E134-N138 PolarHBondContact O-ND2 3.39Å |
| 135 | I | 49.4 | Very low | 40.4 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 64% | 0.641 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -72.6 | -20.4 | -175.1 | -58.9 | 176.1 | 0 | 0 | 0 | 111.9 | ||
| 136 | F | 43.4 | Very low | 40.4 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 54% | 0.539 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -93.6 | -25.9 | 177.4 | -87.7 | -86.5 | 0 | 0 | 0 | 114.4 | E134 I140 V179 | E134-F136 PolarHBondContact O-N 3.04Å; F136-I140 WeakPolarHBondContact O-CD1 3.47Å; F136-I140 WeakPolarHBondContact O-CG1 3.41Å; F136-V179 HydrophobicContact CE2-CG1 4.5Å; F136-V179 HydrophobicContact CE2-CG2 4.08Å; F136-V179 HydrophobicContact CZ-CG1 4.5Å; F136-V179 HydrophobicContact CZ-CG2 4.21Å |
| 137 | S | 44.5 | Very low | 41.4 | Very low | 70 Ų | 70 | 131.5 Ų | 131.5 | 49% | 0.49 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -75.4 | -36.7 | 175.3 | -72.1 | 0 | 0 | 0 | 0 | 112.2 | E134 L139 I140 T141 | E134-S137 PolarHBondContact O-N 2.95Å; S137-L139 VanDerWaalsContact C-N 3.26Å; S137-L139 PolarHBondContact O-N 3.02Å; S137-I140 PolarHBondContact O-N 3.47Å; S137-T141 PolarHBondContact O-N 3.33Å; S137-T141 PolarHBondContact O-OG1 3Å |
| 138 | N | 41.2 | Very low | 41.8 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 63% | 0.626 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -8.3 | -173.9 | -67.2 | -18.1 | 0 | 0 | 0 | 114.6 | E134 | E134-N138 PolarHBondContact O-N 3.04Å; E134-N138 PolarHBondContact O-ND2 3.39Å |
| 139 | L | 43.4 | Very low | 42.8 | Very low | 146 Ų | 146 | 123.9 Ų | 123.9 | 76% | 0.764 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | -4.9 | 177.2 | -127.2 | 76.8 | 0 | 0 | 0 | 114.1 | S137 | S137-L139 VanDerWaalsContact C-N 3.26Å; S137-L139 PolarHBondContact O-N 3.02Å |
| 140 | I | 44.7 | Very low | 43.4 | Very low | 135 Ų | 135 | 120.5 Ų | 120.5 | 69% | 0.692 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124 | -4.9 | -175.5 | -40 | 174.8 | 0 | 0 | 0 | 111.1 | F136 S137 | F136-I140 WeakPolarHBondContact O-CD1 3.47Å; F136-I140 WeakPolarHBondContact O-CG1 3.41Å; S137-I140 PolarHBondContact O-N 3.47Å |
| 141 | T | 34 | Very low | 43.3 | Very low | 99 Ų | 99 | 120.8 Ų | 120.8 | 61% | 0.607 | 70% | 0.696 | S | S | * | * | trans | -114.8 | 61.4 | 176.5 | -49.1 | 0 | 0 | 0 | 0 | 111.6 | S137 T143 | S137-T141 PolarHBondContact O-N 3.33Å; S137-T141 PolarHBondContact O-OG1 3Å; T141-T143 PolarHBondContact O-N 3.34Å | ||
| 142 | S | 40.7 | Very low | 43.4 | Very low | 114 Ų | 114 | 123 Ų | 123 | 80% | 0.797 | 71% | 0.707 | S | S | * | * | trans | -89.3 | 93.9 | 158.6 | 57.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 143 | T | 43.8 | Very low | 43.4 | Very low | 109 Ų | 109 | 121.6 Ų | 121.6 | 67% | 0.669 | 71% | 0.708 | S | S | * | * | trans | -51.9 | 141.2 | 163.4 | 42.7 | 0 | 0 | 0 | 0 | 110.3 | T141 G145 | T141-T143 PolarHBondContact O-N 3.34Å; T143-G145 PolarHBondContact O-N 3.14Å | ||
| 144 | P | 37.5 | Very low | 43.2 | Very low | 143 Ų | 143 | 121.4 Ų | 121.4 | 93% | 0.929 | 71% | 0.707 | S | S | * | * | trans | -78.3 | 79.6 | 171.8 | 32.2 | -29.4 | 0 | 0 | 0 | 107.6 | ||||
| 145 | G | 36.1 | Very low | 43.4 | Very low | 51 Ų | 51 | 121.9 Ų | 121.9 | 53% | 0.526 | 71% | 0.709 | S | S | . | * | trans | -133.5 | 83.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T143 V147 | T143-G145 PolarHBondContact O-N 3.14Å; G145-V147 PolarHBondContact O-N 2.94Å; G145-V147 VanDerWaalsContact O-N 3.11Å | ||
| 146 | S | 33.9 | Very low | 43.3 | Very low | 122 Ų | 122 | 121.3 Ų | 121.3 | 85% | 0.853 | 72% | 0.716 | S | S | * | * | trans | 32.4 | 69.5 | 142.7 | -173 | 0 | 0 | 0 | 0 | 117 | ||||
| 147 | V | 47 | Very low | 44 | Very low | 133 Ų | 133 | 120.6 Ų | 120.6 | 81% | 0.806 | 72% | 0.718 | S | S | * | * | trans | -135.4 | 103.4 | 150.7 | -167.5 | 0 | 0 | 0 | 0 | 106.7 | G145 P149 | G145-V147 PolarHBondContact O-N 2.94Å; G145-V147 VanDerWaalsContact O-N 3.11Å; V147-P149 WeakPolarHBondContact O-CD 3.4Å | ||
| 148 | V | 44.4 | Very low | 44.7 | Very low | 128 Ų | 128 | 125.4 Ų | 125.4 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 116.3 | 176.1 | 177.3 | 0 | 0 | 0 | 0 | 108.1 | ||
| 149 | P | 54.8 | Low | 45.7 | Very low | 102 Ų | 102 | 123.6 Ų | 123.6 | 66% | 0.662 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 139.5 | 166.8 | 25 | -23.8 | 0 | 0 | 0 | 107.6 | V147 M151 | V147-P149 WeakPolarHBondContact O-CD 3.4Å; P149-M151 PolarHBondContact O-N 3.41Å |
| 150 | P | 52 | Low | 46.7 | Very low | 117 Ų | 117 | 119.1 Ų | 119.1 | 76% | 0.76 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 124.5 | 177 | 25.3 | -31.6 | 0 | 0 | 0 | 107.3 | L152 | P150-L152 PolarHBondContact O-N 2.84Š|
| 151 | M | 36.8 | Very low | 47.7 | Very low | 160 Ų | 160 | 116 Ų | 116 | 79% | 0.788 | 71% | 0.712 | S | S | * | * | trans | -53.5 | 102.6 | -176.2 | -168.3 | -159.1 | 166.1 | 0 | 0 | 108.8 | P149 T153 | P149-M151 PolarHBondContact O-N 3.41Å; M151-T153 PolarHBondContact O-N 2.82Å; M151-T153 VanDerWaalsContact O-N 3.16Å | ||
| 152 | L | 46.8 | Very low | 49.5 | Very low | 153 Ų | 153 | 116.5 Ų | 116.5 | 80% | 0.801 | 71% | 0.71 | S | S | * | * | trans | -64.2 | 117.4 | 165.9 | -74.3 | 172.8 | 0 | 0 | 0 | 106.1 | P150 I154 | P150-L152 PolarHBondContact O-N 2.84Å; L152-I154 PolarHBondContact O-N 3.4Å | ||
| 153 | T | 43.6 | Very low | 51 | Low | 108 Ų | 108 | 113.6 Ų | 113.6 | 66% | 0.663 | 69% | 0.69 | S | S | * | * | trans | -51.7 | 111.2 | 174.9 | -15.1 | 0 | 0 | 0 | 0 | 107.5 | M151 Q155 | M151-T153 PolarHBondContact O-N 2.82Å; M151-T153 VanDerWaalsContact O-N 3.16Å; T153-Q155 PolarHBondContact O-N 3.21Å | ||
| 154 | I | 45.3 | Very low | 52.4 | Low | 157 Ų | 157 | 109.9 Ų | 109.9 | 81% | 0.805 | 67% | 0.673 | S | S | * | * | trans | -73.2 | 84.3 | 175 | -57.9 | 174.6 | 0 | 0 | 0 | 106.3 | L152 | L152-I154 PolarHBondContact O-N 3.4Š| ||
| 155 | Q | 48.7 | Very low | 54.2 | Low | 147 Ų | 147 | 108 Ų | 108 | 69% | 0.687 | 66% | 0.655 | S | S | * | * | trans | -119.1 | 102.6 | 164.5 | -67.9 | -172.7 | 19 | 0 | 0 | 106.8 | T153 N157 | T153-Q155 PolarHBondContact O-N 3.21Å; Q155-N157 PolarHBondContact O-N 2.84Å; Q155-N157 PolarHBondContact O-OD1 3.48Å; Q155-N157 VanDerWaalsContact O-OD1 3.13Å | ||
| 156 | S | 46.6 | Very low | 56.1 | Low | 113 Ų | 113 | 111.7 Ų | 111.7 | 79% | 0.79 | 66% | 0.659 | S | S | * | * | S | Bend | trans | 58.6 | 38.6 | 146.4 | 58.9 | 0 | 0 | 0 | 0 | 121.3 | ||
| 157 | N | 57.6 | Low | 58.4 | Low | 108 Ų | 108 | 110.8 Ų | 110.8 | 58% | 0.578 | 64% | 0.644 | S | S | * | * | trans | -133.8 | 49.1 | 172.6 | -53.8 | 19 | 0 | 0 | 0 | 113.7 | Q155 A159 A160 A161 | Q155-N157 PolarHBondContact O-N 2.84Å; Q155-N157 PolarHBondContact O-OD1 3.48Å; Q155-N157 VanDerWaalsContact O-OD1 3.13Å; N157-A159 PolarHBondContact O-N 3.25Å; N157-A160 HydrophobicContact CB-CB 3.87Å; N157-A160 WeakPolarHBondContact O-CB 3.41Å; N157-A160 PolarHBondContact O-N 3.45Å; N157-A161 PolarHBondContact O-N 2.99Å | ||
| 158 | E | 59.9 | Low | 60.1 | Low | 171 Ų | 171 | 109.5 Ų | 109.5 | 80% | 0.799 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -58.1 | -35.2 | 179.5 | -147.9 | 170.9 | -167 | 0 | 0 | 112.4 | A160 A161 L162 | E158-A160 PolarHBondContact O-N 3.34Å; E158-A161 PolarHBondContact O-N 2.93Å; E158-L162 PolarHBondContact O-N 3.42Å |
| 159 | A | 61.3 | Low | 62 | Low | 79 Ų | 79 | 106.2 Ų | 106.2 | 65% | 0.653 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.7 | -34.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | N157 S163 | N157-A159 PolarHBondContact O-N 3.25Å; A159-S163 PolarHBondContact O-N 2.87Å; A159-S163 VanDerWaalsContact O-N 3.07Å |
| 160 | A | 65.1 | Low | 63.4 | Low | 52 Ų | 52 | 103.7 Ų | 103.7 | 43% | 0.43 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70.2 | -38.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | N157 E158 S163 G164 | N157-A160 HydrophobicContact CB-CB 3.87Å; N157-A160 WeakPolarHBondContact O-CB 3.41Å; N157-A160 PolarHBondContact O-N 3.45Å; E158-A160 PolarHBondContact O-N 3.34Å; A160-S163 PolarHBondContact O-N 3.42Å; A160-S163 PolarHBondContact O-OG 3.45Å; A160-G164 PolarHBondContact O-N 3.27Å |
| 161 | A | 65.9 | Low | 65 | Low | 69 Ų | 69 | 105.7 Ų | 105.7 | 57% | 0.57 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.7 | -43.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N157 E158 G164 L165 | N157-A161 PolarHBondContact O-N 2.99Å; E158-A161 PolarHBondContact O-N 2.93Å; A161-G164 PolarHBondContact O-N 3.08Å; A161-L165 PolarHBondContact O-N 2.93Å; A161-L165 VanDerWaalsContact O-N 3.08Å |
| 162 | L | 72.3 | Confident | 67.2 | Low | 110 Ų | 110 | 107.2 Ų | 107.2 | 58% | 0.576 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.8 | -45.4 | 175.2 | -70.4 | 173.7 | 0 | 0 | 0 | 111.9 | E158 G164 L165 E166 | E158-L162 PolarHBondContact O-N 3.42Å; L162-G164 VanDerWaalsContact C-N 3.27Å; L162-G164 PolarHBondContact O-N 2.81Å; L162-L165 PolarHBondContact O-N 3.39Å; L162-L165 VanDerWaalsContact O-N 3.12Å; L162-E166 PolarHBondContact O-N 3.11Å |
| 163 | S | 72.3 | Confident | 69.2 | Low | 54 Ų | 54 | 108.9 Ų | 108.9 | 38% | 0.378 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.2 | -34.4 | 176.9 | 76.8 | 0 | 0 | 0 | 0 | 112.8 | A159 A160 N167 | A159-S163 PolarHBondContact O-N 2.87Å; A159-S163 VanDerWaalsContact O-N 3.07Å; A160-S163 PolarHBondContact O-N 3.42Å; A160-S163 PolarHBondContact O-OG 3.45Å; S163-N167 WeakPolarHBondContact O-CB 3.48Å; S163-N167 PolarHBondContact O-N 2.9Å; S163-N167 VanDerWaalsContact O-N 3.09Å; S163-N167 PolarHBondContact O-ND2 2.94Å |
| 164 | G | 73.3 | Confident | 71.4 | Confident | 30 Ų | 30 | 111.2 Ų | 111.2 | 31% | 0.309 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.8 | -43.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A160 A161 L162 N167 L168 | A160-G164 PolarHBondContact O-N 3.27Å; A161-G164 PolarHBondContact O-N 3.08Å; L162-G164 VanDerWaalsContact C-N 3.27Å; L162-G164 PolarHBondContact O-N 2.81Å; G164-N167 PolarHBondContact O-N 3.41Å; G164-L168 VanDerWaalsContact O-CG 3.3Å; G164-L168 WeakPolarHBondContact O-CG 3.38Å; G164-L168 PolarHBondContact O-N 3.45Å |
| 165 | L | 74.8 | Confident | 73.6 | Confident | 103 Ų | 103 | 107.3 Ų | 107.3 | 54% | 0.539 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.8 | -40.4 | 178 | -172.6 | 61.9 | 0 | 0 | 0 | 112.3 | A161 L162 N167 L168 T169 | A161-L165 PolarHBondContact O-N 2.93Å; A161-L165 VanDerWaalsContact O-N 3.08Å; L162-L165 PolarHBondContact O-N 3.39Å; L162-L165 VanDerWaalsContact O-N 3.12Å; L165-N167 VanDerWaalsContact C-N 3.33Å; L165-N167 PolarHBondContact O-N 3.39Å; L165-L168 PolarHBondContact O-N 2.9Å; L165-T169 WeakPolarHBondContact O-CG2 3.43Å; L165-T169 PolarHBondContact O-N 3.35Å; L165-T169 PolarHBondContact O-OG1 3.45Å |
| 166 | E | 76 | Confident | 75.6 | Confident | 130 Ų | 130 | 102.5 Ų | 102.5 | 61% | 0.607 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.2 | -39.7 | 173.8 | -71.8 | -176.1 | 164.1 | 0 | 0 | 112.3 | L162 T169 S170 | L162-E166 PolarHBondContact O-N 3.11Å; E166-T169 WeakPolarHBondContact CA-OG1 3.33Å; E166-T169 PolarHBondContact O-N 2.96Å; E166-T169 PolarHBondContact O-OG1 2.92Å; E166-S170 VanDerWaalsContact O-CB 3.24Å; E166-S170 WeakPolarHBondContact O-CB 3.34Å; E166-S170 PolarHBondContact O-N 3.13Å; E166-S170 PolarHBondContact O-OG 2.92Å |
| 167 | N | 81.3 | Confident | 77.9 | Confident | 102 Ų | 102 | 103.1 Ų | 103.1 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.6 | -38.1 | 174.4 | -79.9 | -48.7 | 0 | 0 | 0 | 112.5 | S163 G164 L165 R171 | S163-N167 WeakPolarHBondContact O-CB 3.48Å; S163-N167 PolarHBondContact O-N 2.9Å; S163-N167 VanDerWaalsContact O-N 3.09Å; S163-N167 PolarHBondContact O-ND2 2.94Å; G164-N167 PolarHBondContact O-N 3.41Å; L165-N167 VanDerWaalsContact C-N 3.33Å; L165-N167 PolarHBondContact O-N 3.39Å; N167-R171 VanDerWaalsContact O-CB 3.23Å; N167-R171 WeakPolarHBondContact O-CB 3.37Å; N167-R171 PolarHBondContact O-N 2.86Å |
| 168 | L | 83 | Confident | 79.7 | Confident | 107 Ų | 107 | 100.3 Ų | 100.3 | 56% | 0.56 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.8 | -42.6 | 174.8 | -72.1 | 173.4 | 0 | 0 | 0 | 111.9 | G164 L165 R171 R172 | G164-L168 VanDerWaalsContact O-CG 3.3Å; G164-L168 WeakPolarHBondContact O-CG 3.38Å; G164-L168 PolarHBondContact O-N 3.45Å; L165-L168 PolarHBondContact O-N 2.9Å; L168-R171 PolarHBondContact O-N 3.42Å; L168-R172 VanDerWaalsContact O-CB 3.31Å; L168-R172 WeakPolarHBondContact O-CB 3.49Å; L168-R172 PolarHBondContact O-N 2.82Å |
| 169 | T | 84.3 | Confident | 81.3 | Confident | 58 Ų | 58 | 93.7 Ų | 93.7 | 36% | 0.356 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 176 | 58 | 0 | 0 | 0 | 0 | 111.1 | L165 E166 R172 R173 | L165-T169 WeakPolarHBondContact O-CG2 3.43Å; L165-T169 PolarHBondContact O-N 3.35Å; L165-T169 PolarHBondContact O-OG1 3.45Å; E166-T169 WeakPolarHBondContact CA-OG1 3.33Å; E166-T169 PolarHBondContact O-N 2.96Å; E166-T169 PolarHBondContact O-OG1 2.92Å; T169-R172 PolarHBondContact O-N 2.91Å; T169-R173 WeakPolarHBondContact O-CB 3.33Å; T169-R173 VanDerWaalsContact O-CG 3.31Å; T169-R173 WeakPolarHBondContact O-CG 3.42Å; T169-R173 PolarHBondContact O-N 3.15Å |
| 170 | S | 85 | Confident | 83 | Confident | 50 Ų | 50 | 95.3 Ų | 95.3 | 35% | 0.35 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 173.7 | -62.4 | 0 | 0 | 0 | 0 | 112 | E166 R174 | E166-S170 VanDerWaalsContact O-CB 3.24Å; E166-S170 WeakPolarHBondContact O-CB 3.34Å; E166-S170 PolarHBondContact O-N 3.13Å; E166-S170 PolarHBondContact O-OG 2.92Å; S170-R174 WeakPolarHBondContact O-CB 3.18Å; S170-R174 VanDerWaalsContact O-CG 3.32Å; S170-R174 WeakPolarHBondContact O-CG 3.32Å; S170-R174 PolarHBondContact O-N 3.36Å; S170-R174 PolarHBondContact O-NE 2.69Å |
| 171 | R | 85.5 | Confident | 84.5 | Confident | 158 Ų | 158 | 95.9 Ų | 95.9 | 60% | 0.596 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.5 | -45.3 | 172.2 | -173 | -177.9 | -67.2 | -156.3 | -0.9 | 111 | N167 L168 R173 R174 C175 | N167-R171 VanDerWaalsContact O-CB 3.23Å; N167-R171 WeakPolarHBondContact O-CB 3.37Å; N167-R171 PolarHBondContact O-N 2.86Å; L168-R171 PolarHBondContact O-N 3.42Å; R171-R173 PolarHBondContact O-N 2.75Å; R171-R174 PolarHBondContact O-N 3.42Å; R171-C175 PolarHBondContact O-N 2.77Å; R171-C175 PolarHBondContact O-SG 3.41Å |
| 172 | R | 83.6 | Confident | 86 | Confident | 193 Ų | 193 | 98.4 Ų | 98.4 | 73% | 0.728 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.8 | -42 | 177.2 | -171.6 | 178.2 | -178.3 | -148.1 | 0.6 | 111.5 | L168 T169 C175 A176 | L168-R172 VanDerWaalsContact O-CB 3.31Å; L168-R172 WeakPolarHBondContact O-CB 3.49Å; L168-R172 PolarHBondContact O-N 2.82Å; T169-R172 PolarHBondContact O-N 2.91Å; R172-C175 PolarHBondContact O-N 3.39Å; R172-A176 WeakPolarHBondContact O-CB 3.26Å; R172-A176 PolarHBondContact O-N 3.09Å |
| 173 | R | 87.4 | Confident | 87.2 | Confident | 187 Ų | 187 | 101.8 Ų | 101.8 | 71% | 0.706 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61 | -46.1 | 173 | -77.2 | 177.1 | 177.5 | 163 | -0 | 111.3 | T169 R171 A176 H177 | T169-R173 WeakPolarHBondContact O-CB 3.33Å; T169-R173 VanDerWaalsContact O-CG 3.31Å; T169-R173 WeakPolarHBondContact O-CG 3.42Å; T169-R173 PolarHBondContact O-N 3.15Å; R171-R173 PolarHBondContact O-N 2.75Å; R173-A176 PolarHBondContact O-N 3.39Å; R173-H177 WeakPolarHBondContact O-CB 3.47Å; R173-H177 PolarHBondContact O-N 3.47Å |
| 174 | R | 89.7 | Confident | 88.4 | Confident | 158 Ų | 158 | 105.8 Ų | 105.8 | 60% | 0.596 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.2 | -42.8 | 174.9 | -76.1 | -178.1 | -69.7 | 159.3 | -7 | 112.5 | S170 R171 S178 | S170-R174 WeakPolarHBondContact O-CB 3.18Å; S170-R174 VanDerWaalsContact O-CG 3.32Å; S170-R174 WeakPolarHBondContact O-CG 3.32Å; S170-R174 PolarHBondContact O-N 3.36Å; S170-R174 PolarHBondContact O-NE 2.69Å; R171-R174 PolarHBondContact O-N 3.42Å; R174-S178 VanDerWaalsContact O-CB 3.27Å; R174-S178 WeakPolarHBondContact O-CB 3.3Å; R174-S178 PolarHBondContact O-N 3Å |
| 175 | C | 91.7 | Very high | 89.6 | Confident | 74 Ų | 74 | 111 Ų | 111 | 50% | 0.5 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -49 | 176.8 | -67 | 0 | 0 | 0 | 0 | 111.6 | R171 R172 H177 S178 V179 | R171-C175 PolarHBondContact O-N 2.77Å; R171-C175 PolarHBondContact O-SG 3.41Å; R172-C175 PolarHBondContact O-N 3.39Å; C175-H177 VanDerWaalsContact C-N 3.33Å; C175-H177 PolarHBondContact O-N 3.42Å; C175-S178 PolarHBondContact O-N 3.24Å; C175-V179 WeakPolarHBondContact O-CG2 3.47Å; C175-V179 PolarHBondContact O-N 3.42Å |
| 176 | A | 91.3 | Very high | 90.7 | Very high | 46 Ų | 46 | 108.7 Ų | 108.7 | 38% | 0.38 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.3 | -44 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R172 R173 V179 I180 | R172-A176 WeakPolarHBondContact O-CB 3.26Å; R172-A176 PolarHBondContact O-N 3.09Å; R173-A176 PolarHBondContact O-N 3.39Å; A176-V179 PolarHBondContact O-N 3.49Å; A176-I180 VanDerWaalsContact O-CG1 3.29Å; A176-I180 WeakPolarHBondContact O-CG1 3.38Å; A176-I180 PolarHBondContact O-N 3.24Å |
| 177 | H | 95 | Very high | 91.8 | Very high | 126 Ų | 126 | 104.3 Ų | 104.3 | 58% | 0.583 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.9 | -44.9 | 175.8 | -178.2 | 67.8 | 0 | 0 | 0 | 111.9 | R173 C175 V179 I180 E181 | R173-H177 WeakPolarHBondContact O-CB 3.47Å; R173-H177 PolarHBondContact O-N 3.47Å; C175-H177 VanDerWaalsContact C-N 3.33Å; C175-H177 PolarHBondContact O-N 3.42Å; H177-V179 VanDerWaalsContact C-N 3.33Å; H177-V179 PolarHBondContact O-N 3.27Å; H177-I180 PolarHBondContact O-N 2.84Å; H177-E181 VanDerWaalsContact O-CB 3.27Å; H177-E181 WeakPolarHBondContact O-CB 3.41Å; H177-E181 PolarHBondContact O-N 3.38Å |
| 178 | S | 95.3 | Very high | 92.6 | Very high | 49 Ų | 49 | 102.2 Ų | 102.2 | 34% | 0.343 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.2 | -41.6 | 176.6 | -175.1 | 0 | 0 | 0 | 0 | 112.5 | R174 C175 E181 R182 | R174-S178 VanDerWaalsContact O-CB 3.27Å; R174-S178 WeakPolarHBondContact O-CB 3.3Å; R174-S178 PolarHBondContact O-N 3Å; C175-S178 PolarHBondContact O-N 3.24Å; S178-E181 PolarHBondContact O-N 2.87Å; S178-R182 WeakPolarHBondContact O-CB 3.45Å; S178-R182 PolarHBondContact O-N 3Å |
| 179 | V | 94.3 | Very high | 93.3 | Very high | 33 Ų | 33 | 100.6 Ų | 100.6 | 20% | 0.2 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 177 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | F136 C175 A176 H177 R182 R183 | F136-V179 HydrophobicContact CE2-CG1 4.5Å; F136-V179 HydrophobicContact CE2-CG2 4.08Å; F136-V179 HydrophobicContact CZ-CG1 4.5Å; F136-V179 HydrophobicContact CZ-CG2 4.21Å; C175-V179 WeakPolarHBondContact O-CG2 3.47Å; C175-V179 PolarHBondContact O-N 3.42Å; A176-V179 PolarHBondContact O-N 3.49Å; H177-V179 VanDerWaalsContact C-N 3.33Å; H177-V179 PolarHBondContact O-N 3.27Å; V179-R182 PolarHBondContact O-N 3.48Å; V179-R183 WeakPolarHBondContact O-CG 3.43Å; V179-R183 PolarHBondContact O-N 3.08Å |
| 180 | I | 95.1 | Very high | 93.9 | Very high | 113 Ų | 113 | 103.3 Ų | 103.3 | 58% | 0.579 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.3 | -46.1 | 178 | -68.1 | 165.4 | 0 | 0 | 0 | 110.3 | A176 H177 R182 R183 Y184 | A176-I180 VanDerWaalsContact O-CG1 3.29Å; A176-I180 WeakPolarHBondContact O-CG1 3.38Å; A176-I180 PolarHBondContact O-N 3.24Å; H177-I180 PolarHBondContact O-N 2.84Å; I180-R182 VanDerWaalsContact C-N 3.34Å; I180-R182 PolarHBondContact O-N 3.03Å; I180-R183 WeakPolarHBondContact O-CB 3.48Å; I180-R183 PolarHBondContact O-N 3.14Å; I180-Y184 PolarHBondContact O-N 3.23Å |
| 181 | E | 97.9 | Very high | 94.5 | Very high | 64 Ų | 64 | 109.5 Ų | 109.5 | 30% | 0.299 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.9 | -38.5 | 179.4 | 179.5 | 53.9 | -145.9 | 0 | 0 | 111.9 | H177 S178 Y184 R185 | H177-E181 VanDerWaalsContact O-CB 3.27Å; H177-E181 WeakPolarHBondContact O-CB 3.41Å; H177-E181 PolarHBondContact O-N 3.38Å; S178-E181 PolarHBondContact O-N 2.87Å; E181-Y184 PolarHBondContact O-N 3.34Å; E181-R185 WeakPolarHBondContact O-CB 3.34Å; E181-R185 WeakPolarHBondContact O-CG 3.44Å; E181-R185 PolarHBondContact O-N 3.42Å; E181-R185 IonicContact OE1-NE 3.67Å; E181-R185 PolarHBondContact OE1-NE 3.17Å |
| 182 | R | 96.5 | Very high | 95 | Very high | 121 Ų | 121 | 103.3 Ų | 103.3 | 46% | 0.457 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 173.5 | -170.4 | -176.1 | -62.1 | 140.9 | -0.3 | 111.6 | E132 S178 V179 I180 R185 S186 | E132-R182 IonicContact OE1-NH1 3.28Å; E132-R182 IonicContact OE2-NH1 2.7Å; S178-R182 WeakPolarHBondContact O-CB 3.45Å; S178-R182 PolarHBondContact O-N 3Å; V179-R182 PolarHBondContact O-N 3.48Å; I180-R182 VanDerWaalsContact C-N 3.34Å; I180-R182 PolarHBondContact O-N 3.03Å; R182-R185 PolarHBondContact O-N 3.08Å; R182-S186 PolarHBondContact O-N 3.04Å |
| 183 | R | 97.4 | Very high | 95.6 | Very high | 181 Ų | 181 | 96.7 Ų | 96.7 | 68% | 0.683 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.7 | -45.5 | 175.4 | -72.6 | 175.6 | -177.7 | -94.9 | 1.1 | 111.6 | V179 I180 R185 S186 S187 | V179-R183 WeakPolarHBondContact O-CG 3.43Å; V179-R183 PolarHBondContact O-N 3.08Å; I180-R183 WeakPolarHBondContact O-CB 3.48Å; I180-R183 PolarHBondContact O-N 3.14Å; R183-R185 PolarHBondContact O-N 2.97Å; R183-S186 PolarHBondContact O-N 3.43Å; R183-S187 PolarHBondContact O-N 3.43Å; R183-S187 PolarHBondContact O-OG 2.99Å |
| 184 | Y | 98.3 | Very high | 96 | Very high | 139 Ų | 139 | 94 Ų | 94 | 55% | 0.545 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -56.6 | -50 | 174.3 | 175.4 | -117.3 | 0 | 0 | 0 | 111.2 | I180 E181 S186 S187 I188 | I180-Y184 PolarHBondContact O-N 3.23Å; E181-Y184 PolarHBondContact O-N 3.34Å; Y184-S186 PolarHBondContact O-N 3.14Å; Y184-S187 PolarHBondContact O-N 3.32Å; Y184-S187 PolarHBondContact O-OG 3.28Å; Y184-I188 HydrophobicContact CD1-CD1 4.19Å; Y184-I188 HydrophobicContact CD2-CD1 4.18Å; Y184-I188 HydrophobicContact CE1-CD1 3.6Å; Y184-I188 HydrophobicContact CE2-CD1 3.6Å; Y184-I188 HydrophobicContact CE2-CG1 4.22Å; Y184-I188 HydrophobicContact CG-CD1 4.45Å; Y184-I188 PolarHBondContact O-N 2.94Å; Y184-I188 VanDerWaalsContact O-N 3.09Å; Y184-I188 WeakPolarHBondContact OH-CD1 3.24Å |
| 185 | R | 98.4 | Very high | 96.4 | Very high | 138 Ų | 138 | 88.9 Ų | 88.9 | 52% | 0.521 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.4 | -42.5 | 175.7 | -75.3 | -173.4 | -95.1 | 171.5 | -5.3 | 113.3 | E181 R182 R183 I188 N189 | E181-R185 WeakPolarHBondContact O-CB 3.34Å; E181-R185 WeakPolarHBondContact O-CG 3.44Å; E181-R185 PolarHBondContact O-N 3.42Å; E181-R185 IonicContact OE1-NE 3.67Å; E181-R185 PolarHBondContact OE1-NE 3.17Å; R182-R185 PolarHBondContact O-N 3.08Å; R183-R185 PolarHBondContact O-N 2.97Å; R185-I188 PolarHBondContact O-N 3.4Å; R185-N189 VanDerWaalsContact O-CG 3.24Å; R185-N189 PolarHBondContact O-N 3.46Å; R185-N189 VanDerWaalsContact O-N 3.1Å; R185-N189 PolarHBondContact O-ND2 3.4Å |
| 186 | S | 98.3 | Very high | 96.7 | Very high | 55 Ų | 55 | 87.6 Ų | 87.6 | 39% | 0.385 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.8 | -51.7 | 176.5 | -163.9 | 0 | 0 | 0 | 0 | 111.4 | R182 R183 Y184 I188 N189 E190 | R182-S186 PolarHBondContact O-N 3.04Å; R183-S186 PolarHBondContact O-N 3.43Å; Y184-S186 PolarHBondContact O-N 3.14Å; S186-I188 VanDerWaalsContact C-N 3.27Å; S186-I188 PolarHBondContact O-N 3.48Å; S186-N189 WeakPolarHBondContact O-CA 3.47Å; S186-N189 WeakPolarHBondContact O-CB 3.33Å; S186-N189 PolarHBondContact O-N 3.5Å; S186-E190 WeakPolarHBondContact O-CG 3.49Å; S186-E190 PolarHBondContact O-N 3.12Å; S186-E190 PolarHBondContact OG-OE1 2.89Å |
| 187 | S | 98.1 | Very high | 96.9 | Very high | 39 Ų | 39 | 88.1 Ų | 88.1 | 27% | 0.273 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.8 | -36 | -179.7 | 69 | 0 | 0 | 0 | 0 | 113.5 | R183 Y184 R191 | R183-S187 PolarHBondContact O-N 3.43Å; R183-S187 PolarHBondContact O-OG 2.99Å; Y184-S187 PolarHBondContact O-N 3.32Å; Y184-S187 PolarHBondContact O-OG 3.28Å; S187-R191 WeakPolarHBondContact O-CG 3.28Å; S187-R191 PolarHBondContact O-N 3.49Å |
| 188 | I | 97.8 | Very high | 97 | Very high | 57 Ų | 57 | 88.6 Ų | 88.6 | 29% | 0.292 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.4 | -45.6 | 173.2 | -74.3 | 175.7 | 0 | 0 | 0 | 110.7 | Y184 R185 S186 E190 R191 I192 | Y184-I188 HydrophobicContact CD1-CD1 4.19Å; Y184-I188 HydrophobicContact CD2-CD1 4.18Å; Y184-I188 HydrophobicContact CE1-CD1 3.6Å; Y184-I188 HydrophobicContact CE2-CD1 3.6Å; Y184-I188 HydrophobicContact CE2-CG1 4.22Å; Y184-I188 HydrophobicContact CG-CD1 4.45Å; Y184-I188 PolarHBondContact O-N 2.94Å; Y184-I188 VanDerWaalsContact O-N 3.09Å; Y184-I188 WeakPolarHBondContact OH-CD1 3.24Å; R185-I188 PolarHBondContact O-N 3.4Å; S186-I188 VanDerWaalsContact C-N 3.27Å; S186-I188 PolarHBondContact O-N 3.48Å; I188-E190 VanDerWaalsContact C-N 3.33Å; I188-E190 PolarHBondContact O-N 3.41Å; I188-R191 PolarHBondContact O-N 3.35Å; I188-I192 HydrophobicContact CG2-CD1 3.76Å; I188-I192 HydrophobicContact CG2-CG1 4.41Å; I188-I192 WeakPolarHBondContact O-CG1 3.42Å; I188-I192 PolarHBondContact O-N 3.14Å |
| 189 | N | 97.7 | Very high | 97 | Very high | 73 Ų | 73 | 87 Ų | 87 | 39% | 0.39 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.6 | -38.7 | -178.8 | -69.9 | -25.3 | 0 | 0 | 0 | 111.9 | R185 S186 I192 A193 K208 | R185-N189 VanDerWaalsContact O-CG 3.24Å; R185-N189 PolarHBondContact O-N 3.46Å; R185-N189 VanDerWaalsContact O-N 3.1Å; R185-N189 PolarHBondContact O-ND2 3.4Å; S186-N189 WeakPolarHBondContact O-CA 3.47Å; S186-N189 WeakPolarHBondContact O-CB 3.33Å; S186-N189 PolarHBondContact O-N 3.5Å; N189-I192 PolarHBondContact O-N 2.68Å; N189-A193 WeakPolarHBondContact O-CB 3.43Å; N189-A193 PolarHBondContact O-N 2.87Å; N189-K208 WeakPolarHBondContact OD1-CE 3.47Å; N189-K208 PolarHBondContact OD1-NZ 2.99Å |
| 190 | E | 97.4 | Very high | 97 | Very high | 115 Ų | 115 | 87.7 Ų | 87.7 | 54% | 0.537 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.7 | -49.2 | 174.4 | -71.6 | 157.2 | -147.6 | 0 | 0 | 111.1 | S186 I188 I192 A193 E194 | S186-E190 WeakPolarHBondContact O-CG 3.49Å; S186-E190 PolarHBondContact O-N 3.12Å; S186-E190 PolarHBondContact OG-OE1 2.89Å; I188-E190 VanDerWaalsContact C-N 3.33Å; I188-E190 PolarHBondContact O-N 3.41Å; E190-I192 PolarHBondContact O-N 3.45Å; E190-A193 WeakPolarHBondContact O-CB 3.11Å; E190-A193 PolarHBondContact O-N 3.4Å; E190-A193 VanDerWaalsContact O-N 3.12Å; E190-E194 PolarHBondContact O-N 3.36Å |
| 191 | R | 97.7 | Very high | 96.9 | Very high | 180 Ų | 180 | 83.7 Ų | 83.7 | 68% | 0.679 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -63.8 | -36.9 | 177 | -68 | 173.8 | -175.3 | -167.7 | 1.1 | 113.1 | S187 I188 A193 E194 L195 | S187-R191 WeakPolarHBondContact O-CG 3.28Å; S187-R191 PolarHBondContact O-N 3.49Å; I188-R191 PolarHBondContact O-N 3.35Å; R191-A193 VanDerWaalsContact C-N 3.33Å; R191-E194 PolarHBondContact O-N 3.2Å; R191-L195 WeakPolarHBondContact O-CB 3.41Å; R191-L195 PolarHBondContact O-N 3.03Å |
| 192 | I | 96.8 | Very high | 96.6 | Very high | 29 Ų | 29 | 84.7 Ų | 84.7 | 15% | 0.149 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -66.6 | -37.2 | 174.4 | -68.6 | 171.3 | 0 | 0 | 0 | 110.7 | I188 N189 E190 L195 K196 K208 I211 | I188-I192 HydrophobicContact CG2-CD1 3.76Å; I188-I192 HydrophobicContact CG2-CG1 4.41Å; I188-I192 WeakPolarHBondContact O-CG1 3.42Å; I188-I192 PolarHBondContact O-N 3.14Å; N189-I192 PolarHBondContact O-N 2.68Å; E190-I192 PolarHBondContact O-N 3.45Å; I192-L195 PolarHBondContact O-N 3.01Å; I192-K196 WeakPolarHBondContact O-CB 3.33Å; I192-K196 PolarHBondContact O-N 3.26Å; I192-K208 HydrophobicContact CD1-CD 4.01Å; I192-K208 HydrophobicContact CD1-CG 4.3Å; I192-K208 HydrophobicContact CG2-CG 4.35Å; I192-I211 HydrophobicContact CG2-CD1 3.75Å; I192-I211 HydrophobicContact CG2-CG2 4.4Å |
| 193 | A | 95.7 | Very high | 96.3 | Very high | 54 Ų | 54 | 86.6 Ų | 86.6 | 45% | 0.446 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.7 | -40.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N189 E190 R191 K196 S197 | N189-A193 WeakPolarHBondContact O-CB 3.43Å; N189-A193 PolarHBondContact O-N 2.87Å; E190-A193 WeakPolarHBondContact O-CB 3.11Å; E190-A193 PolarHBondContact O-N 3.4Å; E190-A193 VanDerWaalsContact O-N 3.12Å; R191-A193 VanDerWaalsContact C-N 3.33Å; A193-K196 WeakPolarHBondContact O-CB 3.28Å; A193-K196 PolarHBondContact O-N 3.14Å; A193-S197 PolarHBondContact O-N 2.9Å; A193-S197 VanDerWaalsContact O-N 3.14Å |
| 194 | E | 96.6 | Very high | 96 | Very high | 130 Ų | 130 | 79.1 Ų | 79.1 | 61% | 0.607 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -59.3 | -48.6 | 171.4 | -174.8 | -176.3 | -177.1 | 0 | 0 | 111 | E190 R191 K196 S197 L198 | E190-E194 PolarHBondContact O-N 3.36Å; R191-E194 PolarHBondContact O-N 3.2Å; E194-K196 VanDerWaalsContact C-N 3.29Å; E194-K196 PolarHBondContact O-N 3.37Å; E194-S197 VanDerWaalsContact O-CB 3.3Å; E194-S197 WeakPolarHBondContact O-CB 3.42Å; E194-S197 PolarHBondContact O-N 3.22Å; E194-S197 VanDerWaalsContact O-N 3.12Å; E194-L198 PolarHBondContact O-N 3.02Å |
| 195 | L | 97.7 | Very high | 95.8 | Very high | 50 Ų | 50 | 82.7 Ų | 82.7 | 26% | 0.262 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.9 | -40.6 | 176.5 | -176.5 | 60.9 | 0 | 0 | 0 | 111.9 | R191 I192 S197 L198 V199 I211 L212 A215 | R191-L195 WeakPolarHBondContact O-CB 3.41Å; R191-L195 PolarHBondContact O-N 3.03Å; I192-L195 PolarHBondContact O-N 3.01Å; L195-S197 VanDerWaalsContact C-N 3.31Å; L195-S197 PolarHBondContact O-N 3.28Å; L195-L198 PolarHBondContact O-N 3.4Å; L195-V199 HydrophobicContact CD1-CG1 3.83Å; L195-V199 HydrophobicContact CG-CG1 4.28Å; L195-V199 WeakPolarHBondContact O-CG1 3.31Å; L195-V199 VanDerWaalsContact O-CG2 3.3Å; L195-V199 WeakPolarHBondContact O-CG2 3.32Å; L195-V199 PolarHBondContact O-N 3.49Å; L195-I211 HydrophobicContact CB-CG2 4.32Å; L195-I211 HydrophobicContact CD2-CG2 4.06Å; L195-I211 HydrophobicContact CG-CG2 4Å; L195-L212 HydrophobicContact CD2-CD2 4.06Å; L195-A215 HydrophobicContact CD1-CB 3.87Å; L195-A215 HydrophobicContact CD2-CB 3.83Å; L195-A215 HydrophobicContact CG-CB 4.07Å |
| 196 | K | 97.3 | Very high | 95.6 | Very high | 48 Ų | 48 | 79.3 Ų | 79.3 | 21% | 0.209 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -56.4 | -46.5 | 175.9 | -167.7 | -171.1 | 79.8 | 157.5 | 0 | 111.5 | I192 A193 E194 L198 V199 A200 G201 T202 A204 I211 | I192-K196 WeakPolarHBondContact O-CB 3.33Å; I192-K196 PolarHBondContact O-N 3.26Å; A193-K196 WeakPolarHBondContact O-CB 3.28Å; A193-K196 PolarHBondContact O-N 3.14Å; E194-K196 VanDerWaalsContact C-N 3.29Å; E194-K196 PolarHBondContact O-N 3.37Å; K196-L198 VanDerWaalsContact C-N 3.3Å; K196-L198 PolarHBondContact O-N 3.49Å; K196-V199 PolarHBondContact O-N 2.88Å; K196-A200 PolarHBondContact O-N 3.5Å; K196-G201 PolarHBondContact O-N 3.1Å; K196-T202 VanDerWaalsContact CE-O 3.29Å; K196-T202 WeakPolarHBondContact CE-O 3.36Å; K196-T202 PolarHBondContact NZ-O 2.76Å; K196-A204 WeakPolarHBondContact CD-O 3.49Å; K196-A204 WeakPolarHBondContact CE-O 3.43Å; K196-A204 PolarHBondContact NZ-O 2.88Å; K196-I211 HydrophobicContact CB-CD1 3.94Å; K196-I211 HydrophobicContact CB-CG1 4.25Å; K196-I211 HydrophobicContact CB-CG2 4.31Å; K196-I211 HydrophobicContact CD-CD1 4.04Å; K196-I211 HydrophobicContact CG-CD1 3.9Å; K196-I211 HydrophobicContact CG-CG1 4.04Å |
| 197 | S | 96.4 | Very high | 95.6 | Very high | 56 Ų | 56 | 79.9 Ų | 79.9 | 39% | 0.392 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -56.6 | -45.3 | 178.1 | -171.9 | 0 | 0 | 0 | 0 | 111.4 | A193 E194 L195 G201 | A193-S197 PolarHBondContact O-N 2.9Å; A193-S197 VanDerWaalsContact O-N 3.14Å; E194-S197 VanDerWaalsContact O-CB 3.3Å; E194-S197 WeakPolarHBondContact O-CB 3.42Å; E194-S197 PolarHBondContact O-N 3.22Å; E194-S197 VanDerWaalsContact O-N 3.12Å; L195-S197 VanDerWaalsContact C-N 3.31Å; L195-S197 PolarHBondContact O-N 3.28Å; S197-G201 VanDerWaalsContact O-CA 3.31Å; S197-G201 WeakPolarHBondContact O-CA 3.45Å; S197-G201 PolarHBondContact O-N 3.4Å; S197-G201 VanDerWaalsContact O-N 3.11Å |
| 198 | L | 96.5 | Very high | 95.5 | Very high | 137 Ų | 137 | 83.4 Ų | 83.4 | 72% | 0.717 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -68.1 | -37 | -179.7 | -64.3 | 173.9 | 0 | 0 | 0 | 113.7 | E194 L195 K196 | E194-L198 PolarHBondContact O-N 3.02Å; L195-L198 PolarHBondContact O-N 3.4Å; K196-L198 VanDerWaalsContact C-N 3.3Å; K196-L198 PolarHBondContact O-N 3.49Å |
| 199 | V | 95.9 | Very high | 95.5 | Very high | 16 Ų | 16 | 83.9 Ų | 83.9 | 10% | 0.097 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -96.4 | -26.6 | -169.2 | -56.6 | 0 | 0 | 0 | 0 | 114.4 | L195 K196 I211 T214 A215 Q218 | L195-V199 HydrophobicContact CD1-CG1 3.83Å; L195-V199 HydrophobicContact CG-CG1 4.28Å; L195-V199 WeakPolarHBondContact O-CG1 3.31Å; L195-V199 VanDerWaalsContact O-CG2 3.3Å; L195-V199 WeakPolarHBondContact O-CG2 3.32Å; L195-V199 PolarHBondContact O-N 3.49Å; K196-V199 PolarHBondContact O-N 2.88Å; V199-I211 HydrophobicContact CG2-CG2 4.34Å; V199-T214 HydrophobicContact CB-CG2 4.06Å; V199-T214 HydrophobicContact CG2-CG2 4.08Å; V199-A215 HydrophobicContact CG1-CB 3.84Å; V199-Q218 HydrophobicContact CB-CG 4.06Å; V199-Q218 HydrophobicContact CG1-CG 4.28Å; V199-Q218 PolarHBondContact O-NE2 3.24Å |
| 200 | A | 93.2 | Very high | 95.5 | Very high | 47 Ų | 47 | 81.2 Ų | 81.2 | 39% | 0.388 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -141.5 | -6.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K196 A204 L206 | K196-A200 PolarHBondContact O-N 3.5Å; A200-A204 HydrophobicContact CB-CB 3.63Å; A200-L206 HydrophobicContact CB-CD1 3.49Å; A200-L206 VanDerWaalsContact CB-CD1 3.49Å |
| 201 | G | 92.5 | Very high | 95.5 | Very high | 29 Ų | 29 | 76.1 Ų | 76.1 | 30% | 0.299 | 41% | 0.41 | S | S | . | . | trans | 89.8 | 166.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114 | K196 S197 E203 | K196-G201 PolarHBondContact O-N 3.1Å; S197-G201 VanDerWaalsContact O-CA 3.31Å; S197-G201 WeakPolarHBondContact O-CA 3.45Å; S197-G201 PolarHBondContact O-N 3.4Å; S197-G201 VanDerWaalsContact O-N 3.11Å; G201-E203 PolarHBondContact O-N 3.37Å | ||
| 202 | T | 91.5 | Very high | 95.5 | Very high | 85 Ų | 85 | 71.7 Ų | 71.7 | 52% | 0.521 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -37.8 | -175.4 | 53.9 | 0 | 0 | 0 | 0 | 112.7 | K196 A204 | K196-T202 VanDerWaalsContact CE-O 3.29Å; K196-T202 WeakPolarHBondContact CE-O 3.36Å; K196-T202 PolarHBondContact NZ-O 2.76Å; T202-A204 VanDerWaalsContact C-N 3.3Å; T202-A204 PolarHBondContact O-N 3.4Å |
| 203 | E | 91 | Very high | 95.5 | Very high | 161 Ų | 161 | 78.1 Ų | 78.1 | 75% | 0.752 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -7.5 | -173.6 | -55.4 | -45.5 | 117.7 | 0 | 0 | 114 | G201 K205 | G201-E203 PolarHBondContact O-N 3.37Å; E203-K205 PolarHBondContact O-N 3.46Å |
| 204 | A | 92 | Very high | 95.6 | Very high | 23 Ų | 23 | 77.7 Ų | 77.7 | 19% | 0.19 | 41% | 0.413 | C | S | . | . | trans | -66.8 | 128.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K196 A200 T202 L206 | K196-A204 WeakPolarHBondContact CD-O 3.49Å; K196-A204 WeakPolarHBondContact CE-O 3.43Å; K196-A204 PolarHBondContact NZ-O 2.88Å; A200-A204 HydrophobicContact CB-CB 3.63Å; T202-A204 VanDerWaalsContact C-N 3.3Å; T202-A204 PolarHBondContact O-N 3.4Å; A204-L206 HydrophobicContact CB-CD1 4.3Å; A204-L206 HydrophobicContact CB-CG 4.18Å; A204-L206 PolarHBondContact O-N 3.12Å | ||
| 205 | K | 93.6 | Very high | 95.7 | Very high | 214 Ų | 214 | 72.3 Ų | 72.3 | 93% | 0.93 | 39% | 0.391 | S | S | * | . | trans | -92.1 | 74.9 | 173.6 | -66.5 | -177.5 | -179.1 | 177.4 | 0 | 110 | E203 | E203-K205 PolarHBondContact O-N 3.46Š| ||
| 206 | L | 94.8 | Very high | 95.7 | Very high | 67 Ų | 67 | 74.8 Ų | 74.8 | 35% | 0.351 | 40% | 0.404 | S | S | . | . | trans | -110 | 141.3 | 179.5 | -64.2 | 178.3 | 0 | 0 | 0 | 111.7 | A200 A204 A210 I211 | A200-L206 HydrophobicContact CB-CD1 3.49Å; A200-L206 VanDerWaalsContact CB-CD1 3.49Å; A204-L206 HydrophobicContact CB-CD1 4.3Å; A204-L206 HydrophobicContact CB-CG 4.18Å; A204-L206 PolarHBondContact O-N 3.12Å; L206-A210 HydrophobicContact CB-CB 4.25Å; L206-A210 HydrophobicContact CD2-CB 4.29Å; L206-I211 HydrophobicContact CB-CD1 4.4Å; L206-I211 HydrophobicContact CB-CG1 3.68Å; L206-I211 HydrophobicContact CD1-CG1 4.44Å | ||
| 207 | S | 96.9 | Very high | 95.7 | Very high | 68 Ų | 68 | 77.1 Ų | 77.1 | 48% | 0.476 | 42% | 0.415 | S | S | . | . | trans | -71.8 | 159.1 | 170.4 | 69.5 | 0 | 0 | 0 | 0 | 111 | S209 A210 I211 | S207-S209 VanDerWaalsContact C-N 3.28Å; S207-S209 PolarHBondContact O-N 2.96Å; S207-S209 PolarHBondContact OG-OG 2.9Å; S207-A210 WeakPolarHBondContact O-CA 3.12Å; S207-A210 WeakPolarHBondContact O-CB 3.32Å; S207-A210 PolarHBondContact O-N 3.45Å; S207-A210 WeakPolarHBondContact OG-CB 3.35Å; S207-A210 PolarHBondContact OG-N 3.26Å; S207-I211 WeakPolarHBondContact O-CG1 3.48Å; S207-I211 PolarHBondContact O-N 3.12Å | ||
| 208 | K | 96.6 | Very high | 95.8 | Very high | 113 Ų | 113 | 76.8 Ų | 76.8 | 49% | 0.491 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -52.6 | -44.9 | 179.2 | -67.2 | -174.1 | 172 | -177.2 | 0 | 112.7 | N189 I192 A210 I211 L212 | N189-K208 WeakPolarHBondContact OD1-CE 3.47Å; N189-K208 PolarHBondContact OD1-NZ 2.99Å; I192-K208 HydrophobicContact CD1-CD 4.01Å; I192-K208 HydrophobicContact CD1-CG 4.3Å; I192-K208 HydrophobicContact CG2-CG 4.35Å; K208-A210 VanDerWaalsContact C-N 3.33Å; K208-A210 PolarHBondContact O-N 3.06Å; K208-I211 PolarHBondContact O-N 2.7Å; K208-L212 WeakPolarHBondContact O-CG 3.18Å; K208-L212 PolarHBondContact O-N 3.35Å; K208-L212 VanDerWaalsContact O-N 3.15Å |
| 209 | S | 97.1 | Very high | 95.9 | Very high | 66 Ų | 66 | 76.2 Ų | 76.2 | 46% | 0.462 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -69.7 | -29.2 | 178.7 | 64.1 | 0 | 0 | 0 | 0 | 113 | S207 R213 | S207-S209 VanDerWaalsContact C-N 3.28Å; S207-S209 PolarHBondContact O-N 2.96Å; S207-S209 PolarHBondContact OG-OG 2.9Å; S209-R213 VanDerWaalsContact O-CG 3.32Å; S209-R213 WeakPolarHBondContact O-CG 3.42Å; S209-R213 PolarHBondContact O-N 2.89Å; S209-R213 PolarHBondContact O-NE 3.26Å |
| 210 | A | 97.5 | Very high | 96 | Very high | 18 Ų | 18 | 80.9 Ų | 80.9 | 15% | 0.149 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -70.7 | -45.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | L206 S207 K208 L212 R213 T214 | L206-A210 HydrophobicContact CB-CB 4.25Å; L206-A210 HydrophobicContact CD2-CB 4.29Å; S207-A210 WeakPolarHBondContact O-CA 3.12Å; S207-A210 WeakPolarHBondContact O-CB 3.32Å; S207-A210 PolarHBondContact O-N 3.45Å; S207-A210 WeakPolarHBondContact OG-CB 3.35Å; S207-A210 PolarHBondContact OG-N 3.26Å; K208-A210 VanDerWaalsContact C-N 3.33Å; K208-A210 PolarHBondContact O-N 3.06Å; A210-L212 VanDerWaalsContact C-N 3.33Å; A210-L212 PolarHBondContact O-N 3.34Å; A210-R213 PolarHBondContact O-N 3.28Å; A210-T214 PolarHBondContact O-N 3.39Å; A210-T214 PolarHBondContact O-OG1 3.42Å |
| 211 | I | 97.5 | Very high | 96.2 | Very high | 7 Ų | 7 | 84.6 Ų | 84.6 | 4% | 0.036 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -55 | -48.6 | 177.1 | -64.2 | 164.7 | 0 | 0 | 0 | 110.8 | I192 L195 K196 V199 L206 S207 K208 R213 T214 A215 | I192-I211 HydrophobicContact CG2-CD1 3.75Å; I192-I211 HydrophobicContact CG2-CG2 4.4Å; L195-I211 HydrophobicContact CB-CG2 4.32Å; L195-I211 HydrophobicContact CD2-CG2 4.06Å; L195-I211 HydrophobicContact CG-CG2 4Å; K196-I211 HydrophobicContact CB-CD1 3.94Å; K196-I211 HydrophobicContact CB-CG1 4.25Å; K196-I211 HydrophobicContact CB-CG2 4.31Å; K196-I211 HydrophobicContact CD-CD1 4.04Å; K196-I211 HydrophobicContact CG-CD1 3.9Å; K196-I211 HydrophobicContact CG-CG1 4.04Å; V199-I211 HydrophobicContact CG2-CG2 4.34Å; L206-I211 HydrophobicContact CB-CD1 4.4Å; L206-I211 HydrophobicContact CB-CG1 3.68Å; L206-I211 HydrophobicContact CD1-CG1 4.44Å; S207-I211 WeakPolarHBondContact O-CG1 3.48Å; S207-I211 PolarHBondContact O-N 3.12Å; K208-I211 PolarHBondContact O-N 2.7Å; I211-R213 PolarHBondContact O-N 3.04Å; I211-T214 PolarHBondContact O-N 3.02Å; I211-A215 WeakPolarHBondContact O-CB 3.44Å; I211-A215 PolarHBondContact O-N 3.44Å |
| 212 | L | 98 | Very high | 96.5 | Very high | 88 Ų | 88 | 88.7 Ų | 88.7 | 46% | 0.461 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | -179.9 | -65.2 | 174.5 | 0 | 0 | 0 | 112.6 | L195 K208 A210 A215 I216 | L195-L212 HydrophobicContact CD2-CD2 4.06Å; K208-L212 WeakPolarHBondContact O-CG 3.18Å; K208-L212 PolarHBondContact O-N 3.35Å; K208-L212 VanDerWaalsContact O-N 3.15Å; A210-L212 VanDerWaalsContact C-N 3.33Å; A210-L212 PolarHBondContact O-N 3.34Å; L212-A215 WeakPolarHBondContact O-CB 3.5Å; L212-A215 PolarHBondContact O-N 2.9Å; L212-I216 WeakPolarHBondContact O-CG1 3.49Å; L212-I216 PolarHBondContact O-N 2.94Å; L212-I216 VanDerWaalsContact O-N 3.14Å |
| 213 | R | 97.6 | Very high | 96.8 | Very high | 164 Ų | 164 | 93.4 Ų | 93.4 | 62% | 0.619 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -65.3 | -46 | 176.3 | -76.8 | -179 | -74.1 | 162 | -5.7 | 111.6 | S209 A210 I211 A215 I216 E217 | S209-R213 VanDerWaalsContact O-CG 3.32Å; S209-R213 WeakPolarHBondContact O-CG 3.42Å; S209-R213 PolarHBondContact O-N 2.89Å; S209-R213 PolarHBondContact O-NE 3.26Å; A210-R213 PolarHBondContact O-N 3.28Å; I211-R213 PolarHBondContact O-N 3.04Å; R213-A215 VanDerWaalsContact C-N 3.28Å; R213-A215 PolarHBondContact O-N 3.32Å; R213-I216 PolarHBondContact O-N 3.23Å; R213-E217 PolarHBondContact O-N 3.5Å; R213-E217 VanDerWaalsContact O-N 3.08Å |
| 214 | T | 97.1 | Very high | 97.1 | Very high | 44 Ų | 44 | 91.7 Ų | 91.7 | 27% | 0.27 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.1 | -39.9 | 175.1 | -55 | 0 | 0 | 0 | 0 | 111 | V199 A210 I211 I216 E217 Q218 | V199-T214 HydrophobicContact CB-CG2 4.06Å; V199-T214 HydrophobicContact CG2-CG2 4.08Å; A210-T214 PolarHBondContact O-N 3.39Å; A210-T214 PolarHBondContact O-OG1 3.42Å; I211-T214 PolarHBondContact O-N 3.02Å; T214-I216 PolarHBondContact O-N 3.02Å; T214-E217 PolarHBondContact O-N 3.39Å; T214-Q218 HydrophobicContact CG2-CG 4.2Å; T214-Q218 WeakPolarHBondContact O-CB 3.39Å; T214-Q218 WeakPolarHBondContact O-CG 3.18Å; T214-Q218 PolarHBondContact O-N 2.98Å |
| 215 | A | 98.2 | Very high | 97.4 | Very high | 18 Ų | 18 | 93.6 Ų | 93.6 | 15% | 0.149 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -61 | -44.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L195 V199 I211 L212 R213 E217 Q218 L219 | L195-A215 HydrophobicContact CD1-CB 3.87Å; L195-A215 HydrophobicContact CD2-CB 3.83Å; L195-A215 HydrophobicContact CG-CB 4.07Å; V199-A215 HydrophobicContact CG1-CB 3.84Å; I211-A215 WeakPolarHBondContact O-CB 3.44Å; I211-A215 PolarHBondContact O-N 3.44Å; L212-A215 WeakPolarHBondContact O-CB 3.5Å; L212-A215 PolarHBondContact O-N 2.9Å; R213-A215 VanDerWaalsContact C-N 3.28Å; R213-A215 PolarHBondContact O-N 3.32Å; A215-E217 VanDerWaalsContact C-N 3.32Å; A215-E217 PolarHBondContact O-N 3.02Å; A215-Q218 PolarHBondContact O-N 3.4Å; A215-L219 PolarHBondContact O-N 2.91Å |
| 216 | I | 98.2 | Very high | 97.6 | Very high | 101 Ų | 101 | 87 Ų | 87 | 52% | 0.518 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 176.3 | -66.8 | 166.1 | 0 | 0 | 0 | 110.4 | L212 R213 T214 L219 K220 | L212-I216 WeakPolarHBondContact O-CG1 3.49Å; L212-I216 PolarHBondContact O-N 2.94Å; L212-I216 VanDerWaalsContact O-N 3.14Å; R213-I216 PolarHBondContact O-N 3.23Å; T214-I216 PolarHBondContact O-N 3.02Å; I216-L219 PolarHBondContact O-N 3.38Å; I216-K220 WeakPolarHBondContact O-CG 3.29Å; I216-K220 PolarHBondContact O-N 3.01Å; I216-K220 VanDerWaalsContact O-N 3.14Å |
| 217 | E | 97.9 | Very high | 97.8 | Very high | 97 Ų | 97 | 87.7 Ų | 87.7 | 45% | 0.453 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65 | -44.4 | 178.5 | -169.8 | 57.6 | -150.2 | 0 | 0 | 111.9 | R213 T214 A215 L219 K220 R221 | R213-E217 PolarHBondContact O-N 3.5Å; R213-E217 VanDerWaalsContact O-N 3.08Å; T214-E217 PolarHBondContact O-N 3.39Å; A215-E217 VanDerWaalsContact C-N 3.32Å; A215-E217 PolarHBondContact O-N 3.02Å; E217-L219 VanDerWaalsContact C-N 3.33Å; E217-L219 PolarHBondContact O-N 3.3Å; E217-K220 PolarHBondContact O-N 3.35Å; E217-R221 WeakPolarHBondContact O-CG 3.15Å; E217-R221 PolarHBondContact O-N 3.47Å |
| 218 | Q | 98 | Very high | 97.8 | Very high | 49 Ų | 49 | 88.1 Ų | 88.1 | 23% | 0.229 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 174.7 | -69.9 | -71.7 | 14.2 | 0 | 0 | 112 | V199 T214 A215 K220 R221 L222 | V199-Q218 HydrophobicContact CB-CG 4.06Å; V199-Q218 HydrophobicContact CG1-CG 4.28Å; V199-Q218 PolarHBondContact O-NE2 3.24Å; T214-Q218 HydrophobicContact CG2-CG 4.2Å; T214-Q218 WeakPolarHBondContact O-CB 3.39Å; T214-Q218 WeakPolarHBondContact O-CG 3.18Å; T214-Q218 PolarHBondContact O-N 2.98Å; A215-Q218 PolarHBondContact O-N 3.4Å; Q218-K220 VanDerWaalsContact C-N 3.33Å; Q218-K220 PolarHBondContact O-N 3.38Å; Q218-R221 PolarHBondContact O-N 3.15Å; Q218-L222 WeakPolarHBondContact O-CB 3.49Å; Q218-L222 VanDerWaalsContact O-CG 3.28Å; Q218-L222 WeakPolarHBondContact O-CG 3.25Å; Q218-L222 PolarHBondContact O-N 3.21Å |
| 219 | L | 97.9 | Very high | 97.9 | Very high | 125 Ų | 125 | 86.8 Ų | 86.8 | 65% | 0.654 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -60.9 | -41.4 | 177.9 | -179.3 | 63.4 | 0 | 0 | 0 | 112 | A215 I216 E217 R223 | A215-L219 PolarHBondContact O-N 2.91Å; I216-L219 PolarHBondContact O-N 3.38Å; E217-L219 VanDerWaalsContact C-N 3.33Å; E217-L219 PolarHBondContact O-N 3.3Å; L219-R223 WeakPolarHBondContact O-CB 3.35Å; L219-R223 PolarHBondContact O-N 3.05Å |
| 220 | K | 98.4 | Very high | 97.9 | Very high | 115 Ų | 115 | 90.7 Ų | 90.7 | 50% | 0.5 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.1 | -50.4 | 175.6 | -70.6 | 177.1 | 179.8 | -179.8 | 0 | 111.5 | I216 E217 Q218 L222 R223 E224 | I216-K220 WeakPolarHBondContact O-CG 3.29Å; I216-K220 PolarHBondContact O-N 3.01Å; I216-K220 VanDerWaalsContact O-N 3.14Å; E217-K220 PolarHBondContact O-N 3.35Å; Q218-K220 VanDerWaalsContact C-N 3.33Å; Q218-K220 PolarHBondContact O-N 3.38Å; K220-L222 VanDerWaalsContact C-N 3.33Å; K220-L222 PolarHBondContact O-N 3.11Å; K220-R223 WeakPolarHBondContact O-CB 3.28Å; K220-R223 PolarHBondContact O-N 3.19Å; K220-R223 VanDerWaalsContact O-N 3.11Å; K220-E224 WeakPolarHBondContact O-CG 3.42Å; K220-E224 PolarHBondContact O-N 2.97Å |
| 221 | R | 98.1 | Very high | 97.9 | Very high | 124 Ų | 124 | 92.6 Ų | 92.6 | 47% | 0.468 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 178.4 | -67.7 | -167.1 | -58 | 170.6 | -3 | 112.6 | E217 Q218 R223 E224 S225 | E217-R221 WeakPolarHBondContact O-CG 3.15Å; E217-R221 PolarHBondContact O-N 3.47Å; Q218-R221 PolarHBondContact O-N 3.15Å; R221-R223 VanDerWaalsContact C-N 3.32Å; R221-R223 PolarHBondContact O-N 3.41Å; R221-E224 PolarHBondContact O-N 2.96Å; R221-S225 VanDerWaalsContact O-CB 3.31Å; R221-S225 WeakPolarHBondContact O-CB 3.08Å; R221-S225 PolarHBondContact O-N 3.11Å |
| 222 | L | 98.1 | Very high | 97.8 | Very high | 116 Ų | 116 | 97.3 Ų | 97.3 | 61% | 0.607 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.2 | -37.5 | 176.4 | -74.6 | 173.1 | 0 | 0 | 0 | 111.9 | Q218 K220 N226 | Q218-L222 WeakPolarHBondContact O-CB 3.49Å; Q218-L222 VanDerWaalsContact O-CG 3.28Å; Q218-L222 WeakPolarHBondContact O-CG 3.25Å; Q218-L222 PolarHBondContact O-N 3.21Å; K220-L222 VanDerWaalsContact C-N 3.33Å; K220-L222 PolarHBondContact O-N 3.11Å; L222-N226 WeakPolarHBondContact O-CB 3.4Å; L222-N226 PolarHBondContact O-N 2.91Å |
| 223 | R | 97.8 | Very high | 97.8 | Very high | 183 Ų | 183 | 97.3 Ų | 97.3 | 69% | 0.691 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.1 | -50.1 | 175 | -175.9 | 175.5 | -178.3 | 167.7 | 1.6 | 111.6 | L219 K220 R221 S225 N226 D227 | L219-R223 WeakPolarHBondContact O-CB 3.35Å; L219-R223 PolarHBondContact O-N 3.05Å; K220-R223 WeakPolarHBondContact O-CB 3.28Å; K220-R223 PolarHBondContact O-N 3.19Å; K220-R223 VanDerWaalsContact O-N 3.11Å; R221-R223 VanDerWaalsContact C-N 3.32Å; R221-R223 PolarHBondContact O-N 3.41Å; R223-S225 VanDerWaalsContact C-N 3.32Å; R223-S225 PolarHBondContact O-N 3.16Å; R223-N226 WeakPolarHBondContact O-CB 3.35Å; R223-N226 PolarHBondContact O-N 2.9Å; R223-N226 VanDerWaalsContact O-N 3.13Å; R223-D227 PolarHBondContact O-N 3.5Å |
| 224 | E | 98.1 | Very high | 97.7 | Very high | 126 Ų | 126 | 95 Ų | 95 | 59% | 0.589 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59.1 | -43.2 | 177.4 | -70.4 | 167.8 | -171.1 | 0 | 0 | 111.8 | K220 R221 D227 S228 | K220-E224 WeakPolarHBondContact O-CG 3.42Å; K220-E224 PolarHBondContact O-N 2.97Å; R221-E224 PolarHBondContact O-N 2.96Å; E224-D227 PolarHBondContact O-N 3.46Å; E224-S228 WeakPolarHBondContact O-CB 3.15Å; E224-S228 PolarHBondContact O-N 3.04Å |
| 225 | S | 98.2 | Very high | 97.6 | Very high | 62 Ų | 62 | 97.3 Ų | 97.3 | 43% | 0.434 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 174.8 | 179.5 | 0 | 0 | 0 | 0 | 112.2 | R221 R223 S228 L229 | R221-S225 VanDerWaalsContact O-CB 3.31Å; R221-S225 WeakPolarHBondContact O-CB 3.08Å; R221-S225 PolarHBondContact O-N 3.11Å; R223-S225 VanDerWaalsContact C-N 3.32Å; R223-S225 PolarHBondContact O-N 3.16Å; S225-S228 PolarHBondContact O-N 2.65Å; S225-L229 WeakPolarHBondContact O-CB 3.38Å; S225-L229 VanDerWaalsContact O-CG 3.24Å; S225-L229 WeakPolarHBondContact O-CG 3.42Å; S225-L229 PolarHBondContact O-N 3.23Å |
| 226 | N | 98 | Very high | 97.5 | Very high | 75 Ų | 75 | 100.1 Ų | 100.1 | 40% | 0.401 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 176.5 | -159.1 | -80.3 | 0 | 0 | 0 | 111.5 | L222 R223 L229 R230 | L222-N226 WeakPolarHBondContact O-CB 3.4Å; L222-N226 PolarHBondContact O-N 2.91Å; R223-N226 WeakPolarHBondContact O-CB 3.35Å; R223-N226 PolarHBondContact O-N 2.9Å; R223-N226 VanDerWaalsContact O-N 3.13Å; N226-L229 PolarHBondContact O-N 3.14Å; N226-R230 WeakPolarHBondContact O-CB 3.38Å; N226-R230 VanDerWaalsContact O-CG 3.28Å; N226-R230 WeakPolarHBondContact O-CG 3.4Å; N226-R230 PolarHBondContact O-N 3.38Å; N226-R230 WeakPolarHBondContact OD1-CD 3.28Å; N226-R230 VanDerWaalsContact OD1-CZ 3.3Å; N226-R230 PolarHBondContact OD1-NE 3.33Å; N226-R230 PolarHBondContact OD1-NH2 3.07Å |
| 227 | D | 98.1 | Very high | 97.4 | Very high | 83 Ų | 83 | 101.4 Ų | 101.4 | 44% | 0.444 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 178.7 | -67.3 | -21.2 | 0 | 0 | 0 | 110.8 | R223 E224 R230 A231 | R223-D227 PolarHBondContact O-N 3.5Å; E224-D227 PolarHBondContact O-N 3.46Å; D227-R230 PolarHBondContact O-N 2.88Å; D227-A231 PolarHBondContact O-N 3.35Å |
| 228 | S | 98 | Very high | 97.2 | Very high | 77 Ų | 77 | 102.2 Ų | 102.2 | 54% | 0.538 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.3 | -46 | 173.7 | -174.2 | 0 | 0 | 0 | 0 | 112.3 | E224 S225 R230 A231 E232 | E224-S228 WeakPolarHBondContact O-CB 3.15Å; E224-S228 PolarHBondContact O-N 3.04Å; S225-S228 PolarHBondContact O-N 2.65Å; S228-R230 VanDerWaalsContact C-N 3.32Å; S228-R230 PolarHBondContact O-N 3.4Å; S228-A231 PolarHBondContact O-N 2.84Å; S228-E232 PolarHBondContact O-N 3.48Å |
| 229 | L | 97.6 | Very high | 97 | Very high | 85 Ų | 85 | 103.6 Ų | 103.6 | 45% | 0.445 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.8 | -32.8 | 178.7 | -74.6 | 170.2 | 0 | 0 | 0 | 112.1 | S225 N226 N233 | S225-L229 WeakPolarHBondContact O-CB 3.38Å; S225-L229 VanDerWaalsContact O-CG 3.24Å; S225-L229 WeakPolarHBondContact O-CG 3.42Å; S225-L229 PolarHBondContact O-N 3.23Å; N226-L229 PolarHBondContact O-N 3.14Å; L229-N233 WeakPolarHBondContact O-CB 3.39Å; L229-N233 PolarHBondContact O-N 3.49Å; L229-N233 PolarHBondContact O-ND2 3.15Å |
| 230 | R | 97.2 | Very high | 96.8 | Very high | 148 Ų | 148 | 102.8 Ų | 102.8 | 56% | 0.558 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.1 | -46.7 | 173.2 | -77.9 | 176.6 | -176.2 | -167.7 | -0.2 | 111.1 | N226 D227 S228 E232 N233 E234 | N226-R230 WeakPolarHBondContact O-CB 3.38Å; N226-R230 VanDerWaalsContact O-CG 3.28Å; N226-R230 WeakPolarHBondContact O-CG 3.4Å; N226-R230 PolarHBondContact O-N 3.38Å; N226-R230 WeakPolarHBondContact OD1-CD 3.28Å; N226-R230 VanDerWaalsContact OD1-CZ 3.3Å; N226-R230 PolarHBondContact OD1-NE 3.33Å; N226-R230 PolarHBondContact OD1-NH2 3.07Å; D227-R230 PolarHBondContact O-N 2.88Å; S228-R230 VanDerWaalsContact C-N 3.32Å; S228-R230 PolarHBondContact O-N 3.4Å; R230-E232 VanDerWaalsContact C-N 3.31Å; R230-E232 PolarHBondContact O-N 2.78Å; R230-N233 PolarHBondContact O-N 3.28Å; R230-E234 WeakPolarHBondContact O-CB 3.43Å; R230-E234 WeakPolarHBondContact O-CG 3.36Å; R230-E234 PolarHBondContact O-N 2.87Å |
| 231 | A | 96.9 | Very high | 96.4 | Very high | 58 Ų | 58 | 100.3 Ų | 100.3 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.1 | -40.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D227 S228 H235 | D227-A231 PolarHBondContact O-N 3.35Å; S228-A231 PolarHBondContact O-N 2.84Å; A231-H235 WeakPolarHBondContact O-CB 3.18Å; A231-H235 PolarHBondContact O-N 2.87Å |
| 232 | E | 97.1 | Very high | 96 | Very high | 106 Ų | 106 | 98.8 Ų | 98.8 | 50% | 0.495 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.9 | -46.7 | 174 | -174.1 | -179.7 | 178.2 | 0 | 0 | 111.8 | S228 R230 E234 H235 L236 | S228-E232 PolarHBondContact O-N 3.48Å; R230-E232 VanDerWaalsContact C-N 3.31Å; R230-E232 PolarHBondContact O-N 2.78Å; E232-E234 VanDerWaalsContact C-N 3.33Å; E232-E234 PolarHBondContact O-N 3.4Å; E232-H235 PolarHBondContact O-N 3.45Å; E232-H235 VanDerWaalsContact O-N 3.14Å; E232-L236 HydrophobicContact CG-CD1 4.06Å; E232-L236 HydrophobicContact CG-CG 4.37Å; E232-L236 WeakPolarHBondContact O-CB 3.3Å; E232-L236 WeakPolarHBondContact O-CG 3.2Å; E232-L236 PolarHBondContact O-N 3.49Å |
| 233 | N | 96.5 | Very high | 95.5 | Very high | 87 Ų | 87 | 102.5 Ų | 102.5 | 47% | 0.465 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.3 | -43.5 | 176.5 | -86.6 | -65 | 0 | 0 | 0 | 112 | L229 R230 H235 L236 Q237 | L229-N233 WeakPolarHBondContact O-CB 3.39Å; L229-N233 PolarHBondContact O-N 3.49Å; L229-N233 PolarHBondContact O-ND2 3.15Å; R230-N233 PolarHBondContact O-N 3.28Å; N233-H235 VanDerWaalsContact C-N 3.33Å; N233-L236 PolarHBondContact O-N 3.29Å; N233-Q237 VanDerWaalsContact O-CB 3.32Å; N233-Q237 WeakPolarHBondContact O-CB 3.39Å; N233-Q237 WeakPolarHBondContact O-CG 3.38Å; N233-Q237 PolarHBondContact O-N 3.11Å |
| 234 | E | 96.2 | Very high | 94.9 | Very high | 115 Ų | 115 | 102.1 Ų | 102.1 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 175.1 | -73.6 | 172.5 | -169.9 | 0 | 0 | 111.6 | R230 E232 Q237 R238 | R230-E234 WeakPolarHBondContact O-CB 3.43Å; R230-E234 WeakPolarHBondContact O-CG 3.36Å; R230-E234 PolarHBondContact O-N 2.87Å; E232-E234 VanDerWaalsContact C-N 3.33Å; E232-E234 PolarHBondContact O-N 3.4Å; E234-Q237 PolarHBondContact O-N 3.12Å; E234-R238 WeakPolarHBondContact O-CB 3.49Å; E234-R238 PolarHBondContact O-N 3.38Å |
| 235 | H | 96 | Very high | 94 | Very high | 93 Ų | 93 | 101.5 Ų | 101.5 | 43% | 0.431 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.3 | -46.4 | 175.5 | 179.9 | 73.6 | 0 | 0 | 0 | 112.4 | A231 E232 N233 R238 L239 | A231-H235 WeakPolarHBondContact O-CB 3.18Å; A231-H235 PolarHBondContact O-N 2.87Å; E232-H235 PolarHBondContact O-N 3.45Å; E232-H235 VanDerWaalsContact O-N 3.14Å; N233-H235 VanDerWaalsContact C-N 3.33Å; H235-R238 PolarHBondContact ND1-NH1 2.92Å; H235-R238 WeakPolarHBondContact O-CB 3.29Å; H235-R238 PolarHBondContact O-N 3.16Å; H235-L239 WeakPolarHBondContact NE2-CD1 3.49Å; H235-L239 WeakPolarHBondContact O-CG 3.36Å; H235-L239 PolarHBondContact O-N 3.01Å |
| 236 | L | 95.9 | Very high | 93 | Very high | 78 Ų | 78 | 103.3 Ų | 103.3 | 41% | 0.408 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 175.9 | -69.2 | 173.5 | 0 | 0 | 0 | 111.7 | E232 N233 R238 L239 L240 | E232-L236 HydrophobicContact CG-CD1 4.06Å; E232-L236 HydrophobicContact CG-CG 4.37Å; E232-L236 WeakPolarHBondContact O-CB 3.3Å; E232-L236 WeakPolarHBondContact O-CG 3.2Å; E232-L236 PolarHBondContact O-N 3.49Å; N233-L236 PolarHBondContact O-N 3.29Å; L236-R238 VanDerWaalsContact C-N 3.29Å; L236-R238 PolarHBondContact O-N 3.31Å; L236-L239 PolarHBondContact O-N 2.69Å; L236-L240 WeakPolarHBondContact O-CB 3.01Å; L236-L240 VanDerWaalsContact O-CG 3.26Å; L236-L240 WeakPolarHBondContact O-CG 3.19Å; L236-L240 PolarHBondContact O-N 3.35Å |
| 237 | Q | 94.3 | Very high | 91.9 | Very high | 127 Ų | 127 | 105.8 Ų | 105.8 | 59% | 0.593 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60 | -41.1 | 174.8 | -77.3 | 174 | 13.1 | 0 | 0 | 111.6 | N233 E234 L240 S241 | N233-Q237 VanDerWaalsContact O-CB 3.32Å; N233-Q237 WeakPolarHBondContact O-CB 3.39Å; N233-Q237 WeakPolarHBondContact O-CG 3.38Å; N233-Q237 PolarHBondContact O-N 3.11Å; E234-Q237 PolarHBondContact O-N 3.12Å; Q237-L240 PolarHBondContact O-N 2.92Å; Q237-S241 WeakPolarHBondContact O-CB 3.4Å; Q237-S241 PolarHBondContact O-N 3.48Å; Q237-S241 PolarHBondContact O-OG 2.77Å |
| 238 | R | 94 | Very high | 90.3 | Very high | 114 Ų | 114 | 106.1 Ų | 106.1 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -51.1 | 175 | -162.6 | -173.8 | -51.8 | 97.9 | 7.9 | 111.5 | E234 H235 L236 L240 S241 E242 | E234-R238 WeakPolarHBondContact O-CB 3.49Å; E234-R238 PolarHBondContact O-N 3.38Å; H235-R238 PolarHBondContact ND1-NH1 2.92Å; H235-R238 WeakPolarHBondContact O-CB 3.29Å; H235-R238 PolarHBondContact O-N 3.16Å; L236-R238 VanDerWaalsContact C-N 3.29Å; L236-R238 PolarHBondContact O-N 3.31Å; R238-L240 VanDerWaalsContact C-N 3.31Å; R238-L240 PolarHBondContact O-N 3.38Å; R238-S241 PolarHBondContact O-N 3.03Å; R238-S241 PolarHBondContact O-OG 3.41Å; R238-E242 WeakPolarHBondContact CG-OE1 3.06Å; R238-E242 WeakPolarHBondContact O-CG 3.41Å; R238-E242 PolarHBondContact O-N 3.31Å |
| 239 | L | 94.1 | Very high | 88.4 | Confident | 79 Ų | 79 | 108.6 Ų | 108.6 | 41% | 0.414 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.7 | -39.6 | 177.5 | -69.2 | 178.7 | 0 | 0 | 0 | 112.8 | H235 L236 S241 E242 R243 | H235-L239 WeakPolarHBondContact NE2-CD1 3.49Å; H235-L239 WeakPolarHBondContact O-CG 3.36Å; H235-L239 PolarHBondContact O-N 3.01Å; L236-L239 PolarHBondContact O-N 2.69Å; L239-S241 VanDerWaalsContact C-N 3.33Å; L239-E242 PolarHBondContact O-N 3.37Å; L239-R243 WeakPolarHBondContact O-CB 3.35Å; L239-R243 PolarHBondContact O-N 3.33Å |
| 240 | L | 93.3 | Very high | 86.6 | Confident | 107 Ų | 107 | 109 Ų | 109 | 56% | 0.56 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67 | -35.7 | 175.5 | -72.7 | 175.3 | 0 | 0 | 0 | 111.9 | L236 Q237 R238 R244 | L236-L240 WeakPolarHBondContact O-CB 3.01Å; L236-L240 VanDerWaalsContact O-CG 3.26Å; L236-L240 WeakPolarHBondContact O-CG 3.19Å; L236-L240 PolarHBondContact O-N 3.35Å; Q237-L240 PolarHBondContact O-N 2.92Å; R238-L240 VanDerWaalsContact C-N 3.31Å; R238-L240 PolarHBondContact O-N 3.38Å; L240-R244 VanDerWaalsContact O-CB 3.3Å; L240-R244 WeakPolarHBondContact O-CB 3.4Å; L240-R244 PolarHBondContact O-N 2.94Å |
| 241 | S | 90.4 | Very high | 84.6 | Confident | 63 Ų | 63 | 108 Ų | 108 | 44% | 0.441 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70.4 | -39.2 | 175.7 | 73.8 | 0 | 0 | 0 | 0 | 112.4 | Q237 R238 L239 R244 H245 | Q237-S241 WeakPolarHBondContact O-CB 3.4Å; Q237-S241 PolarHBondContact O-N 3.48Å; Q237-S241 PolarHBondContact O-OG 2.77Å; R238-S241 PolarHBondContact O-N 3.03Å; R238-S241 PolarHBondContact O-OG 3.41Å; L239-S241 VanDerWaalsContact C-N 3.33Å; S241-R244 WeakPolarHBondContact O-CB 3.44Å; S241-R244 PolarHBondContact O-N 3.48Å; S241-H245 PolarHBondContact O-N 3.14Å |
| 242 | E | 89.7 | Confident | 82.3 | Confident | 93 Ų | 93 | 110.6 Ų | 110.6 | 44% | 0.435 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.2 | -51.1 | 175.1 | -72.2 | 167.3 | -174 | 0 | 0 | 110.5 | R238 L239 R244 H245 D246 | R238-E242 WeakPolarHBondContact CG-OE1 3.06Å; R238-E242 WeakPolarHBondContact O-CG 3.41Å; R238-E242 PolarHBondContact O-N 3.31Å; L239-E242 PolarHBondContact O-N 3.37Å; E242-R244 VanDerWaalsContact C-N 3.25Å; E242-R244 PolarHBondContact O-N 3.12Å; E242-H245 CarbonylContact O-C 3.6Å; E242-H245 WeakPolarHBondContact O-CA 3.5Å; E242-H245 WeakPolarHBondContact O-CB 3.4Å; E242-H245 PolarHBondContact O-N 3.32Å; E242-D246 PolarHBondContact O-N 2.71Å |
| 243 | R | 88.2 | Confident | 79.4 | Confident | 193 Ų | 193 | 110.2 Ų | 110.2 | 73% | 0.728 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.4 | -36.7 | 176.3 | -176.2 | -177.4 | -70.6 | -153.6 | -1.4 | 112.4 | L239 H245 D246 F247 | L239-R243 WeakPolarHBondContact O-CB 3.35Å; L239-R243 PolarHBondContact O-N 3.33Å; R243-H245 VanDerWaalsContact C-N 3.32Å; R243-D246 PolarHBondContact O-N 2.93Å; R243-F247 PolarHBondContact O-N 3.12Å; R243-F247 VanDerWaalsContact O-N 3.07Å |
| 244 | R | 85.8 | Confident | 76.6 | Confident | 176 Ų | 176 | 107.9 Ų | 107.9 | 66% | 0.664 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.3 | -41.2 | 174.4 | -173.5 | -173.3 | -56.5 | 166.1 | 4.7 | 110.8 | L240 S241 E242 L248 | L240-R244 VanDerWaalsContact O-CB 3.3Å; L240-R244 WeakPolarHBondContact O-CB 3.4Å; L240-R244 PolarHBondContact O-N 2.94Å; S241-R244 WeakPolarHBondContact O-CB 3.44Å; S241-R244 PolarHBondContact O-N 3.48Å; E242-R244 VanDerWaalsContact C-N 3.25Å; E242-R244 PolarHBondContact O-N 3.12Å; R244-L248 WeakPolarHBondContact O-CG 3.26Å; R244-L248 PolarHBondContact O-N 3.29Å |
| 245 | H | 78 | Confident | 73.6 | Confident | 112 Ų | 112 | 107 Ų | 107 | 52% | 0.519 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68 | -39.8 | 178.2 | -152.8 | -79.3 | 0 | 0 | 0 | 111.9 | S241 E242 R243 L248 Q249 | S241-H245 PolarHBondContact O-N 3.14Å; E242-H245 CarbonylContact O-C 3.6Å; E242-H245 WeakPolarHBondContact O-CA 3.5Å; E242-H245 WeakPolarHBondContact O-CB 3.4Å; E242-H245 PolarHBondContact O-N 3.32Å; R243-H245 VanDerWaalsContact C-N 3.32Å; H245-L248 PolarHBondContact O-N 2.95Å; H245-Q249 PolarHBondContact CE1-NE2 3.42Å; H245-Q249 PolarHBondContact ND1-NE2 2.99Å; H245-Q249 WeakPolarHBondContact O-CG 3.29Å; H245-Q249 PolarHBondContact O-N 2.91Å |
| 246 | D | 77.3 | Confident | 71.1 | Confident | 100 Ų | 100 | 111.6 Ų | 111.6 | 54% | 0.535 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.4 | -42.4 | 176.4 | -67.1 | -19 | 0 | 0 | 0 | 112.1 | E242 R243 L248 Q249 S250 | E242-D246 PolarHBondContact O-N 2.71Å; R243-D246 PolarHBondContact O-N 2.93Å; D246-L248 VanDerWaalsContact C-N 3.3Å; D246-L248 PolarHBondContact O-N 3.21Å; D246-Q249 PolarHBondContact O-N 3.5Å; D246-Q249 VanDerWaalsContact O-N 3.16Å; D246-S250 PolarHBondContact O-N 3.36Å |
| 247 | F | 75.4 | Confident | 68.3 | Low | 127 Ų | 127 | 113.2 Ų | 113.2 | 56% | 0.557 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.4 | -38.1 | 176.3 | -173.9 | -99.3 | 0 | 0 | 0 | 112 | R243 Q249 S250 E251 | R243-F247 PolarHBondContact O-N 3.12Å; R243-F247 VanDerWaalsContact O-N 3.07Å; F247-Q249 VanDerWaalsContact C-N 3.34Å; F247-S250 PolarHBondContact O-OG 3.24Å; F247-E251 HydrophobicContact CE1-CG 4.34Å; F247-E251 HydrophobicContact CE2-CG 4.38Å; F247-E251 HydrophobicContact CZ-CG 4.12Å; F247-E251 PolarHBondContact O-N 3.48Å |
| 248 | L | 64.3 | Low | 66.1 | Low | 91 Ų | 91 | 115 Ų | 115 | 48% | 0.476 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.8 | -30.2 | 175.5 | -67.6 | 173.5 | 0 | 0 | 0 | 112.6 | R244 H245 D246 | R244-L248 WeakPolarHBondContact O-CG 3.26Å; R244-L248 PolarHBondContact O-N 3.29Å; H245-L248 PolarHBondContact O-N 2.95Å; D246-L248 VanDerWaalsContact C-N 3.3Å; D246-L248 PolarHBondContact O-N 3.21Å |
| 249 | Q | 59.3 | Low | 63.6 | Low | 129 Ų | 129 | 113.6 Ų | 113.6 | 60% | 0.603 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -77.8 | -33.6 | 175.9 | -71.9 | -175.8 | 15.5 | 0 | 0 | 112.9 | H245 D246 F247 | H245-Q249 PolarHBondContact CE1-NE2 3.42Å; H245-Q249 PolarHBondContact ND1-NE2 2.99Å; H245-Q249 WeakPolarHBondContact O-CG 3.29Å; H245-Q249 PolarHBondContact O-N 2.91Å; D246-Q249 PolarHBondContact O-N 3.5Å; D246-Q249 VanDerWaalsContact O-N 3.16Å; F247-Q249 VanDerWaalsContact C-N 3.34Å |
| 250 | S | 59 | Low | 61.5 | Low | 94 Ų | 94 | 116.1 Ų | 116.1 | 66% | 0.657 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -76.6 | -23.3 | -178.8 | 68.1 | 0 | 0 | 0 | 0 | 114.3 | D246 F247 | D246-S250 PolarHBondContact O-N 3.36Å; F247-S250 PolarHBondContact O-OG 3.24Å |
| 251 | E | 54.6 | Low | 59.1 | Low | 127 Ų | 127 | 116.6 Ų | 116.6 | 59% | 0.593 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -4.8 | -175.8 | -78.8 | -105.5 | 121.1 | 0 | 0 | 114.3 | F247 | F247-E251 HydrophobicContact CE1-CG 4.34Å; F247-E251 HydrophobicContact CE2-CG 4.38Å; F247-E251 HydrophobicContact CZ-CG 4.12Å; F247-E251 PolarHBondContact O-N 3.48Å |
| 252 | H | 48.4 | Very low | 57 | Low | 112 Ų | 112 | 117.3 Ų | 117.3 | 52% | 0.519 | 64% | 0.638 | S | S | . | * | trans | -122.8 | 69.9 | -169.9 | -76.8 | 23.4 | 0 | 0 | 0 | 114.6 | ||||
| 253 | G | 37.5 | Very low | 54.9 | Low | 97 Ų | 97 | 117.6 Ų | 117.6 | 100% | 1 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -85.7 | 15.6 | 142.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 254 | G | 36.3 | Very low | 53.1 | Low | 39 Ų | 39 | 110 Ų | 110 | 40% | 0.402 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -126.4 | 125.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y256 | G254-Y256 PolarHBondContact O-N 2.65Š|
| 255 | A | 34.1 | Very low | 51.4 | Low | 95 Ų | 95 | 104.5 Ų | 104.5 | 79% | 0.785 | 61% | 0.61 | S | S | * | * | trans | -64.4 | 95.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 256 | Y | 44.3 | Very low | 50.1 | Low | 190 Ų | 190 | 103.3 Ų | 103.3 | 75% | 0.745 | 61% | 0.608 | S | S | * | * | trans | -141.7 | 94.9 | 154.4 | -60.7 | -74.6 | 0 | 0 | 0 | 109.3 | G254 H258 | G254-Y256 PolarHBondContact O-N 2.65Å; Y256-H258 VanDerWaalsContact C-N 3.33Å; Y256-H258 PolarHBondContact O-N 3.36Å | ||
| 257 | A | 37 | Very low | 48.8 | Very low | 112 Ų | 112 | 103.5 Ų | 103.5 | 93% | 0.926 | 60% | 0.601 | S | S | * | * | trans | -68 | 90.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 258 | H | 47 | Very low | 47.5 | Very low | 166 Ų | 166 | 100.3 Ų | 100.3 | 77% | 0.769 | 59% | 0.59 | S | S | * | * | trans | -97.7 | 104.4 | 166 | -147.2 | 57.9 | 0 | 0 | 0 | 108.6 | Y256 T260 | Y256-H258 VanDerWaalsContact C-N 3.33Å; Y256-H258 PolarHBondContact O-N 3.36Å; H258-T260 PolarHBondContact O-N 3.05Å | ||
| 259 | S | 41.2 | Very low | 46.9 | Very low | 84 Ų | 84 | 101.7 Ų | 101.7 | 59% | 0.587 | 60% | 0.597 | S | S | * | * | trans | -46.8 | 105.8 | 176 | -173.9 | 0 | 0 | 0 | 0 | 111.3 | T261 | S259-T261 PolarHBondContact O-N 3Š| ||
| 260 | T | 50.1 | Low | 46.7 | Very low | 131 Ų | 131 | 99.3 Ų | 99.3 | 80% | 0.804 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -84.7 | 14 | 175.4 | 27.6 | 0 | 0 | 0 | 0 | 113.4 | H258 | H258-T260 PolarHBondContact O-N 3.05Š|
| 261 | T | 43.3 | Very low | 46.3 | Very low | 117 Ų | 117 | 97.9 Ų | 97.9 | 72% | 0.718 | 58% | 0.577 | S | S | * | * | trans | -102.1 | 74.3 | 159.7 | 65.7 | 0 | 0 | 0 | 0 | 108.3 | S259 D263 | S259-T261 PolarHBondContact O-N 3Å; T261-D263 PolarHBondContact O-N 2.89Å | ||
| 262 | M | 46.5 | Very low | 46.2 | Very low | 78 Ų | 78 | 93.9 Ų | 93.9 | 38% | 0.384 | 57% | 0.565 | S | S | . | * | trans | -69.6 | 101.4 | 168.4 | -119.3 | 175.5 | 134.2 | 0 | 0 | 107 | D266 W267 T270 | M262-D266 HydrophobicContact CE-CB 4.44Å; M262-D266 HydrophobicContact CG-CB 4.14Å; M262-W267 HydrophobicContact CE-CD2 4.4Å; M262-W267 HydrophobicContact CE-CG 4.01Å; M262-W267 HydrophobicContact SD-CG 4.38Å; M262-W267 PolarHBondContact SD-NE1 3.3Å; M262-W267 VanDerWaalsContact SD-NE1 3.42Å; M262-T270 HydrophobicContact CE-CG2 4.27Å; M262-T270 WeakPolarHBondContact CE-OG1 3.35Å | ||
| 263 | D | 45.1 | Very low | 46.3 | Very low | 99 Ų | 99 | 96 Ų | 96 | 53% | 0.529 | 58% | 0.58 | S | S | . | * | trans | -51.2 | 140.9 | 165.9 | 179.2 | 15.5 | 0 | 0 | 0 | 108.1 | T261 S265 D266 | T261-D263 PolarHBondContact O-N 2.89Å; D263-S265 PolarHBondContact O-N 3.39Å; D263-S265 WeakPolarHBondContact OD2-CB 3.31Å; D263-S265 PolarHBondContact OD2-OG 3.39Å; D263-S265 VanDerWaalsContact OD2-OG 3.08Å; D263-D266 PolarHBondContact O-N 2.98Å | ||
| 264 | A | 50.3 | Low | 46.9 | Very low | 35 Ų | 35 | 95.4 Ų | 95.4 | 29% | 0.289 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -54.3 | -23.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F298 | A264-F298 HydrophobicContact CB-CE2 4.47Å; A264-F298 HydrophobicContact CB-CZ 4.37Å |
| 265 | S | 50.2 | Low | 47.4 | Very low | 60 Ų | 60 | 97.6 Ų | 97.6 | 42% | 0.42 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68 | -33.6 | 173 | -48 | 0 | 0 | 0 | 0 | 114.2 | D263 N269 | D263-S265 PolarHBondContact O-N 3.39Å; D263-S265 WeakPolarHBondContact OD2-CB 3.31Å; D263-S265 PolarHBondContact OD2-OG 3.39Å; D263-S265 VanDerWaalsContact OD2-OG 3.08Å; S265-N269 PolarHBondContact O-ND2 2.93Å |
| 266 | D | 50.3 | Low | 48.2 | Very low | 87 Ų | 87 | 97.6 Ų | 97.6 | 47% | 0.465 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -77.4 | -29.7 | -178.3 | -93.5 | -8.3 | 0 | 0 | 0 | 112.8 | M262 D263 L268 N269 T270 | M262-D266 HydrophobicContact CE-CB 4.44Å; M262-D266 HydrophobicContact CG-CB 4.14Å; D263-D266 PolarHBondContact O-N 2.98Å; D266-L268 VanDerWaalsContact C-N 3.26Å; D266-L268 PolarHBondContact O-N 2.86Å; D266-N269 PolarHBondContact O-N 3.42Å; D266-T270 PolarHBondContact O-N 2.77Å; D266-T270 VanDerWaalsContact O-N 3.09Å; D266-T270 PolarHBondContact O-OG1 3.42Å |
| 267 | W | 50.2 | Low | 48.2 | Very low | 103 Ų | 103 | 95 Ų | 95 | 39% | 0.39 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.4 | -37.6 | 172.3 | -93.1 | 81.4 | 0 | 0 | 0 | 112.3 | M262 N269 | M262-W267 HydrophobicContact CE-CD2 4.4Å; M262-W267 HydrophobicContact CE-CG 4.01Å; M262-W267 HydrophobicContact SD-CG 4.38Å; M262-W267 PolarHBondContact SD-NE1 3.3Å; M262-W267 VanDerWaalsContact SD-NE1 3.42Å; W267-N269 VanDerWaalsContact C-N 3.32Å; W267-N269 PolarHBondContact O-N 3.48Å |
| 268 | L | 49.3 | Very low | 48.7 | Very low | 61 Ų | 61 | 95.6 Ų | 95.6 | 32% | 0.319 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.3 | -26.9 | -179.9 | -73.5 | 167.7 | 0 | 0 | 0 | 113.2 | D266 Y293 W306 | D266-L268 VanDerWaalsContact C-N 3.26Å; D266-L268 PolarHBondContact O-N 2.86Å; L268-Y293 WeakPolarHBondContact CD2-OH 3.17Å; L268-W306 HydrophobicContact CD2-CB 4.13Å; L268-W306 HydrophobicContact CD2-CG 3.99Å |
| 269 | N | 51.7 | Low | 48.7 | Very low | 120 Ų | 120 | 91.7 Ų | 91.7 | 64% | 0.642 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -91.6 | -29.6 | -177.3 | -74.3 | -39.6 | 0 | 0 | 0 | 113.4 | S265 D266 W267 | S265-N269 PolarHBondContact O-ND2 2.93Å; D266-N269 PolarHBondContact O-N 3.42Å; W267-N269 VanDerWaalsContact C-N 3.32Å; W267-N269 PolarHBondContact O-N 3.48Å |
| 270 | T | 54.7 | Low | 49.2 | Very low | 78 Ų | 78 | 95.1 Ų | 95.1 | 48% | 0.479 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -76.2 | -30.2 | 179.4 | 29.3 | 0 | 0 | 0 | 0 | 113.1 | M262 D266 A272 | M262-T270 HydrophobicContact CE-CG2 4.27Å; M262-T270 WeakPolarHBondContact CE-OG1 3.35Å; D266-T270 PolarHBondContact O-N 2.77Å; D266-T270 VanDerWaalsContact O-N 3.09Å; D266-T270 PolarHBondContact O-OG1 3.42Å; T270-A272 PolarHBondContact O-N 3.36Å |
| 271 | D | 51.2 | Low | 49.5 | Very low | 65 Ų | 65 | 93.1 Ų | 93.1 | 35% | 0.348 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -81.8 | -12 | -174.3 | -82.1 | -24.9 | 0 | 0 | 0 | 114.9 | N273 | D271-N273 PolarHBondContact O-N 2.87Š|
| 272 | A | 52.4 | Low | 50 | Low | 42 Ų | 42 | 87.9 Ų | 87.9 | 35% | 0.347 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -68 | -18 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | T270 | T270-A272 PolarHBondContact O-N 3.36Š|
| 273 | N | 48.9 | Very low | 50.5 | Low | 157 Ų | 157 | 92.2 Ų | 92.2 | 84% | 0.84 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -113.1 | 3.1 | -174.2 | -89.8 | -24.1 | 0 | 0 | 0 | 115.1 | D271 | D271-N273 PolarHBondContact O-N 2.87Š|
| 274 | V | 51.7 | Low | 51.1 | Low | 84 Ų | 84 | 94.5 Ų | 94.5 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -98 | 112.1 | -179.1 | -174.8 | 0 | 0 | 0 | 0 | 110 | F276 | V274-F276 PolarHBondContact O-N 3.1Š|
| 275 | S | 46.9 | Very low | 51.5 | Low | 85 Ų | 85 | 100.2 Ų | 100.2 | 59% | 0.594 | 52% | 0.515 | S | S | * | . | trans | -52.1 | 128.6 | 177.2 | -161.4 | 0 | 0 | 0 | 0 | 111.4 | D277 | S275-D277 PolarHBondContact O-N 3.2Å; S275-D277 PolarHBondContact OG-OD2 3.38Å | ||
| 276 | F | 49.7 | Very low | 52.1 | Low | 96 Ų | 96 | 98.6 Ų | 98.6 | 42% | 0.421 | 50% | 0.5 | S | S | . | . | trans | -75.4 | 36.4 | -177.5 | -165 | -99.4 | 0 | 0 | 0 | 112.6 | V274 H278 | V274-F276 PolarHBondContact O-N 3.1Å; F276-H278 VanDerWaalsContact C-N 3.33Å; F276-H278 PolarHBondContact O-N 3.49Å; F276-H278 VanDerWaalsContact O-N 3.16Å | ||
| 277 | D | 44.7 | Very low | 52.9 | Low | 135 Ų | 135 | 97.1 Ų | 97.1 | 72% | 0.722 | 50% | 0.495 | S | S | * | . | trans | -86.8 | 25.6 | -163.5 | -85 | -34.6 | 0 | 0 | 0 | 115.9 | S275 | S275-D277 PolarHBondContact O-N 3.2Å; S275-D277 PolarHBondContact OG-OD2 3.38Å | ||
| 278 | H | 47 | Very low | 53.5 | Low | 125 Ų | 125 | 97.3 Ų | 97.3 | 58% | 0.579 | 50% | 0.5 | S | S | * | . | trans | -145.7 | 105.6 | 169.7 | -142.6 | 67.2 | 0 | 0 | 0 | 113.3 | F276 Q280 N281 G282 | F276-H278 VanDerWaalsContact C-N 3.33Å; F276-H278 PolarHBondContact O-N 3.49Å; F276-H278 VanDerWaalsContact O-N 3.16Å; H278-Q280 VanDerWaalsContact C-N 3.28Å; H278-Q280 PolarHBondContact O-N 3.41Å; H278-Q280 VanDerWaalsContact O-N 3.11Å; H278-N281 HydrophobicContact CB-CB 4.36Å; H278-N281 PolarHBondContact O-N 3.21Å; H278-G282 PolarHBondContact O-N 3.34Å | ||
| 279 | C | 46.7 | Very low | 54.2 | Low | 83 Ų | 83 | 95.3 Ų | 95.3 | 56% | 0.561 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -54.9 | -29.1 | -169.3 | -175.9 | 0 | 0 | 0 | 0 | 115.5 | ||
| 280 | Q | 52.5 | Low | 54.8 | Low | 157 Ų | 157 | 91.8 Ų | 91.8 | 73% | 0.734 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -82.7 | -40.4 | 174.3 | -89 | -168.8 | -6.5 | 0 | 0 | 113.2 | H278 R283 Q284 | H278-Q280 VanDerWaalsContact C-N 3.28Å; H278-Q280 PolarHBondContact O-N 3.41Å; H278-Q280 VanDerWaalsContact O-N 3.11Å; Q280-R283 PolarHBondContact O-N 3.49Å; Q280-Q284 PolarHBondContact O-N 3.35Å |
| 281 | N | 55.8 | Low | 55.2 | Low | 89 Ų | 89 | 95.2 Ų | 95.2 | 48% | 0.476 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.8 | -35.1 | -179.1 | -72.6 | -23.8 | 0 | 0 | 0 | 111.7 | H278 R283 Q284 R285 | H278-N281 HydrophobicContact CB-CB 4.36Å; H278-N281 PolarHBondContact O-N 3.21Å; N281-R283 VanDerWaalsContact C-N 3.31Å; N281-R283 PolarHBondContact O-N 3.38Å; N281-Q284 PolarHBondContact O-N 3.25Å; N281-R285 VanDerWaalsContact O-CB 3.28Å; N281-R285 WeakPolarHBondContact O-CB 3.5Å; N281-R285 VanDerWaalsContact O-CG 3.25Å; N281-R285 WeakPolarHBondContact O-CG 3.34Å; N281-R285 PolarHBondContact O-N 3.13Å |
| 282 | G | 55 | Low | 55.8 | Low | 6 Ų | 6 | 95 Ų | 95 | 6% | 0.062 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -60.9 | -38.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | H278 F286 | H278-G282 PolarHBondContact O-N 3.34Å; G282-F286 WeakPolarHBondContact O-CB 3.34Å; G282-F286 PolarHBondContact O-N 2.96Å |
| 283 | R | 56.1 | Low | 56.3 | Low | 169 Ų | 169 | 94.2 Ų | 94.2 | 64% | 0.638 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -71.3 | -40.5 | -179.9 | -146.1 | -176 | -70.3 | -156.3 | -0.1 | 112.1 | Q280 N281 T287 | Q280-R283 PolarHBondContact O-N 3.49Å; N281-R283 VanDerWaalsContact C-N 3.31Å; N281-R283 PolarHBondContact O-N 3.38Å; R283-T287 WeakPolarHBondContact O-CB 3.34Å; R283-T287 PolarHBondContact O-N 3.01Å; R283-T287 VanDerWaalsContact O-N 3.1Å; R283-T287 PolarHBondContact O-OG1 3.48Å |
| 284 | Q | 58.8 | Low | 56.9 | Low | 147 Ų | 147 | 96.6 Ų | 96.6 | 69% | 0.687 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -68.2 | -44 | 174.4 | -68.1 | -155.2 | 3.3 | 0 | 0 | 111.9 | Q280 N281 F286 T287 Q288 | Q280-Q284 PolarHBondContact O-N 3.35Å; N281-Q284 PolarHBondContact O-N 3.25Å; Q284-F286 PolarHBondContact O-N 3.27Å; Q284-T287 PolarHBondContact O-N 3.33Å; Q284-Q288 WeakPolarHBondContact O-CB 3.3Å; Q284-Q288 PolarHBondContact O-N 3.28Å |
| 285 | R | 58.7 | Low | 57.4 | Low | 156 Ų | 156 | 99.9 Ų | 99.9 | 59% | 0.589 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60 | -47 | 176 | -76.7 | -177.6 | 165.8 | -166.4 | -6 | 111.8 | N281 T287 Q288 T289 | N281-R285 VanDerWaalsContact O-CB 3.28Å; N281-R285 WeakPolarHBondContact O-CB 3.5Å; N281-R285 VanDerWaalsContact O-CG 3.25Å; N281-R285 WeakPolarHBondContact O-CG 3.34Å; N281-R285 PolarHBondContact O-N 3.13Å; R285-T287 VanDerWaalsContact C-N 3.3Å; R285-T287 PolarHBondContact O-N 3.4Å; R285-Q288 WeakPolarHBondContact O-CB 3.47Å; R285-Q288 PolarHBondContact O-N 2.89Å; R285-Q288 VanDerWaalsContact O-N 3.12Å; R285-T289 PolarHBondContact O-N 2.94Å; R285-T289 PolarHBondContact O-OG1 3.1Å |
| 286 | F | 63 | Low | 57.8 | Low | 25 Ų | 25 | 99.3 Ų | 99.3 | 11% | 0.11 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -58.8 | -41.1 | 176 | -174 | -99 | 0 | 0 | 0 | 112.6 | G282 Q284 T289 I290 W306 F325 L326 L329 | G282-F286 WeakPolarHBondContact O-CB 3.34Å; G282-F286 PolarHBondContact O-N 2.96Å; Q284-F286 PolarHBondContact O-N 3.27Å; F286-T289 PolarHBondContact O-N 3.43Å; F286-I290 HydrophobicContact CD1-CD1 3.49Å; F286-I290 VanDerWaalsContact CD1-CD1 3.49Å; F286-I290 HydrophobicContact CE1-CD1 3.11Å; F286-I290 HydrophobicContact CE1-CG1 4.3Å; F286-I290 HydrophobicContact CE2-CD1 4.42Å; F286-I290 HydrophobicContact CG-CD1 4.29Å; F286-I290 HydrophobicContact CZ-CD1 3.64Å; F286-I290 VanDerWaalsContact O-CG1 3.29Å; F286-I290 WeakPolarHBondContact O-CG1 3.48Å; F286-I290 PolarHBondContact O-N 2.9Å; F286-W306 AromaticContact CD2-CH2 3.75Å; F286-W306 HydrophobicContact CD2-CH2 3.75Å; F286-W306 AromaticContact CE2-CH2 3.54Å; F286-W306 HydrophobicContact CE2-CH2 3.54Å; F286-W306 HydrophobicContact CE2-CZ3 4.05Å; F286-F325 HydrophobicContact CD1-CD1 4.04Å; F286-F325 AromaticContact CD1-CE1 3.85Å; F286-F325 HydrophobicContact CD1-CE1 3.85Å; F286-F325 AromaticContact CE1-CD1 3.53Å; F286-F325 HydrophobicContact CE1-CD1 3.53Å; F286-F325 AromaticContact CE1-CE1 3.65Å; F286-F325 HydrophobicContact CE1-CE1 3.65Å; F286-L326 HydrophobicContact CE1-CD2 4.5Å; F286-L326 HydrophobicContact CE2-CD2 4.35Å; F286-L326 HydrophobicContact CZ-CD1 4.35Å; F286-L326 HydrophobicContact CZ-CD2 3.57Å; F286-L326 HydrophobicContact CZ-CG 3.78Å; F286-L329 HydrophobicContact CE1-CD1 4.09Å |
| 287 | T | 65 | Low | 58.1 | Low | 56 Ų | 56 | 101 Ų | 101 | 34% | 0.344 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.3 | -38.1 | 176.3 | -53.2 | 0 | 0 | 0 | 0 | 111.9 | R283 Q284 R285 I290 R291 | R283-T287 WeakPolarHBondContact O-CB 3.34Å; R283-T287 PolarHBondContact O-N 3.01Å; R283-T287 VanDerWaalsContact O-N 3.1Å; R283-T287 PolarHBondContact O-OG1 3.48Å; Q284-T287 PolarHBondContact O-N 3.33Å; R285-T287 VanDerWaalsContact C-N 3.3Å; R285-T287 PolarHBondContact O-N 3.4Å; T287-I290 PolarHBondContact O-N 3.24Å; T287-R291 WeakPolarHBondContact O-CG 3.25Å; T287-R291 PolarHBondContact O-N 3.09Å |
| 288 | Q | 63.7 | Low | 58.9 | Low | 107 Ų | 107 | 98.5 Ų | 98.5 | 50% | 0.5 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 175.6 | -160.5 | 91.6 | -4.2 | 0 | 0 | 111 | Q284 R285 I290 R291 I292 | Q284-Q288 WeakPolarHBondContact O-CB 3.3Å; Q284-Q288 PolarHBondContact O-N 3.28Å; R285-Q288 WeakPolarHBondContact O-CB 3.47Å; R285-Q288 PolarHBondContact O-N 2.89Å; R285-Q288 VanDerWaalsContact O-N 3.12Å; Q288-I290 VanDerWaalsContact C-N 3.32Å; Q288-I290 PolarHBondContact O-N 3.23Å; Q288-R291 WeakPolarHBondContact O-CB 3.38Å; Q288-R291 PolarHBondContact O-N 2.72Å; Q288-R291 VanDerWaalsContact O-N 3.14Å; Q288-I292 WeakPolarHBondContact O-CG1 3.04Å; Q288-I292 PolarHBondContact O-N 3.38Å; Q288-I292 VanDerWaalsContact O-N 3.08Å |
| 289 | T | 63.7 | Low | 60.1 | Low | 19 Ų | 19 | 96.3 Ų | 96.3 | 12% | 0.117 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 177.5 | -50.1 | 0 | 0 | 0 | 0 | 110.8 | R285 F286 R291 I292 Y293 W306 | R285-T289 PolarHBondContact O-N 2.94Å; R285-T289 PolarHBondContact O-OG1 3.1Å; F286-T289 PolarHBondContact O-N 3.43Å; T289-R291 VanDerWaalsContact C-N 3.34Å; T289-R291 PolarHBondContact O-N 3.45Å; T289-I292 PolarHBondContact O-N 2.89Å; T289-Y293 HydrophobicContact CG2-CD2 3.86Å; T289-Y293 HydrophobicContact CG2-CE2 3.66Å; T289-Y293 WeakPolarHBondContact O-CD2 3.34Å; T289-Y293 PolarHBondContact O-N 2.91Å; T289-W306 HydrophobicContact CG2-CH2 4.35Å; T289-W306 HydrophobicContact CG2-CZ2 3.7Å |
| 290 | I | 64.4 | Low | 61 | Low | 47 Ų | 47 | 99 Ų | 99 | 24% | 0.241 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -63.5 | -36.6 | 174.9 | -71.9 | 167.7 | 0 | 0 | 0 | 112.5 | F286 T287 Q288 Y293 R294 L329 | F286-I290 HydrophobicContact CD1-CD1 3.49Å; F286-I290 VanDerWaalsContact CD1-CD1 3.49Å; F286-I290 HydrophobicContact CE1-CD1 3.11Å; F286-I290 HydrophobicContact CE1-CG1 4.3Å; F286-I290 HydrophobicContact CE2-CD1 4.42Å; F286-I290 HydrophobicContact CG-CD1 4.29Å; F286-I290 HydrophobicContact CZ-CD1 3.64Å; F286-I290 VanDerWaalsContact O-CG1 3.29Å; F286-I290 WeakPolarHBondContact O-CG1 3.48Å; F286-I290 PolarHBondContact O-N 2.9Å; T287-I290 PolarHBondContact O-N 3.24Å; Q288-I290 VanDerWaalsContact C-N 3.32Å; Q288-I290 PolarHBondContact O-N 3.23Å; I290-Y293 CarbonylContact O-C 3.56Å; I290-Y293 WeakPolarHBondContact O-CB 3.35Å; I290-Y293 PolarHBondContact O-N 3.25Å; I290-R294 PolarHBondContact O-N 3.36Å; I290-L329 HydrophobicContact CD1-CD1 3.62Å |
| 291 | R | 63.8 | Low | 61.9 | Low | 150 Ų | 150 | 94.1 Ų | 94.1 | 57% | 0.566 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.9 | -43.4 | 174.1 | -76.6 | 178.6 | 178.6 | 177.1 | -1.4 | 111.3 | T287 Q288 T289 Y293 R294 E295 | T287-R291 WeakPolarHBondContact O-CG 3.25Å; T287-R291 PolarHBondContact O-N 3.09Å; Q288-R291 WeakPolarHBondContact O-CB 3.38Å; Q288-R291 PolarHBondContact O-N 2.72Å; Q288-R291 VanDerWaalsContact O-N 3.14Å; T289-R291 VanDerWaalsContact C-N 3.34Å; T289-R291 PolarHBondContact O-N 3.45Å; R291-Y293 VanDerWaalsContact C-N 3.29Å; R291-Y293 PolarHBondContact O-N 3.32Å; R291-R294 WeakPolarHBondContact O-CA 3.41Å; R291-R294 WeakPolarHBondContact O-CB 3.27Å; R291-R294 PolarHBondContact O-N 2.97Å; R291-E295 PolarHBondContact O-N 3.48Å |
| 292 | I | 63.5 | Low | 62.4 | Low | 60 Ų | 60 | 91.9 Ų | 91.9 | 31% | 0.308 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62 | -39 | 175.2 | -62.6 | 166 | 0 | 0 | 0 | 110.7 | Q288 T289 R294 E295 N296 | Q288-I292 WeakPolarHBondContact O-CG1 3.04Å; Q288-I292 PolarHBondContact O-N 3.38Å; Q288-I292 VanDerWaalsContact O-N 3.08Å; T289-I292 PolarHBondContact O-N 2.89Å; I292-R294 VanDerWaalsContact C-N 3.26Å; I292-R294 PolarHBondContact O-N 3.05Å; I292-E295 PolarHBondContact O-N 3.34Å; I292-N296 PolarHBondContact O-N 3.06Å; I292-N296 VanDerWaalsContact O-N 3.15Å; I292-N296 PolarHBondContact O-ND2 3.25Å |
| 293 | Y | 62.7 | Low | 63.1 | Low | 25 Ų | 25 | 94.8 Ų | 94.8 | 10% | 0.098 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -68.3 | -17.4 | 172.3 | -86.1 | -69 | 0 | 0 | 0 | 114.8 | L268 T289 I290 R291 F298 W306 R333 | L268-Y293 WeakPolarHBondContact CD2-OH 3.17Å; T289-Y293 HydrophobicContact CG2-CD2 3.86Å; T289-Y293 HydrophobicContact CG2-CE2 3.66Å; T289-Y293 WeakPolarHBondContact O-CD2 3.34Å; T289-Y293 PolarHBondContact O-N 2.91Å; I290-Y293 CarbonylContact O-C 3.56Å; I290-Y293 WeakPolarHBondContact O-CB 3.35Å; I290-Y293 PolarHBondContact O-N 3.25Å; R291-Y293 VanDerWaalsContact C-N 3.29Å; R291-Y293 PolarHBondContact O-N 3.32Å; Y293-F298 HydrophobicContact CD1-CB 4.34Å; Y293-F298 HydrophobicContact CE1-CB 4.47Å; Y293-W306 AromaticContact CE2-CD2 3.96Å; Y293-W306 HydrophobicContact CE2-CD2 3.96Å; Y293-W306 HydrophobicContact CE2-CE3 4.15Å; Y293-W306 HydrophobicContact CE2-CG 4.27Å; Y293-W306 WeakPolarHBondContact OH-CB 3.32Å; Y293-R333 PolarHBondContact O-NH2 3Å |
| 294 | R | 61 | Low | 63.9 | Low | 208 Ų | 208 | 90.1 Ų | 90.1 | 79% | 0.785 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -84.6 | -32.6 | 176.2 | -176.7 | -178.9 | 175.1 | 173.1 | -0.6 | 111.5 | I290 R291 I292 | I290-R294 PolarHBondContact O-N 3.36Å; R291-R294 WeakPolarHBondContact O-CA 3.41Å; R291-R294 WeakPolarHBondContact O-CB 3.27Å; R291-R294 PolarHBondContact O-N 2.97Å; I292-R294 VanDerWaalsContact C-N 3.26Å; I292-R294 PolarHBondContact O-N 3.05Å |
| 295 | E | 62.7 | Low | 64.5 | Low | 153 Ų | 153 | 91.6 Ų | 91.6 | 72% | 0.715 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -88.7 | -27.9 | -175.2 | -70.8 | 168.6 | -174.5 | 0 | 0 | 112.5 | R291 I292 | R291-E295 PolarHBondContact O-N 3.48Å; I292-E295 PolarHBondContact O-N 3.34Å |
| 296 | N | 54.7 | Low | 65.2 | Low | 73 Ų | 73 | 85.5 Ų | 85.5 | 39% | 0.39 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -105.1 | 123.3 | 177.9 | -63.3 | -43.7 | 0 | 0 | 0 | 110.7 | I292 F298 | I292-N296 PolarHBondContact O-N 3.06Å; I292-N296 VanDerWaalsContact O-N 3.15Å; I292-N296 PolarHBondContact O-ND2 3.25Å; N296-F298 HydrophobicContact CB-CD2 3.69Å; N296-F298 HydrophobicContact CB-CE2 3.75Å; N296-F298 PolarHBondContact O-N 2.98Å |
| 297 | S | 57.4 | Low | 65.5 | Low | 132 Ų | 132 | 85.7 Ų | 85.7 | 92% | 0.923 | 42% | 0.423 | S | S | * | . | trans | -67.1 | 69.3 | -178.9 | 50.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 298 | F | 61.3 | Low | 65.7 | Low | 81 Ų | 81 | 86.4 Ų | 86.4 | 36% | 0.355 | 43% | 0.431 | S | S | . | . | trans | -84.7 | 148.8 | 178.4 | -89.4 | -85.8 | 0 | 0 | 0 | 113 | A264 Y293 N296 D302 | A264-F298 HydrophobicContact CB-CE2 4.47Å; A264-F298 HydrophobicContact CB-CZ 4.37Å; Y293-F298 HydrophobicContact CD1-CB 4.34Å; Y293-F298 HydrophobicContact CE1-CB 4.47Å; N296-F298 HydrophobicContact CB-CD2 3.69Å; N296-F298 HydrophobicContact CB-CE2 3.75Å; N296-F298 PolarHBondContact O-N 2.98Å; F298-D302 HydrophobicContact CD1-CB 3.87Å | ||
| 299 | T | 70.7 | Confident | 65.9 | Low | 80 Ų | 80 | 83.6 Ų | 83.6 | 49% | 0.491 | 42% | 0.423 | S | S | . | . | trans | -71.9 | 152.8 | 178.4 | 74.3 | 0 | 0 | 0 | 0 | 111.1 | A301 D302 F303 | T299-A301 PolarHBondContact O-N 3.37Å; T299-A301 VanDerWaalsContact O-N 3.14Å; T299-A301 PolarHBondContact OG1-N 2.71Å; T299-D302 PolarHBondContact O-N 2.89Å; T299-D302 VanDerWaalsContact O-N 3.12Å; T299-D302 VanDerWaalsContact OG1-CG 3.3Å; T299-D302 PolarHBondContact OG1-N 3.44Å; T299-D302 PolarHBondContact OG1-OD2 3.38Å; T299-F303 PolarHBondContact O-N 3.36Å | ||
| 300 | L | 67.6 | Low | 65.9 | Low | 139 Ų | 139 | 84.6 Ų | 84.6 | 73% | 0.728 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -55.1 | -30.7 | 172.8 | -174.8 | 69.8 | 0 | 0 | 0 | 111.8 | F303 V304 | L300-F303 HydrophobicContact CD1-CD1 4.49Å; L300-F303 PolarHBondContact O-N 2.91Å; L300-V304 VanDerWaalsContact O-CG2 3.28Å; L300-V304 WeakPolarHBondContact O-CG2 3.47Å; L300-V304 PolarHBondContact O-N 3.49Å |
| 301 | A | 70.7 | Confident | 66 | Low | 54 Ų | 54 | 85.4 Ų | 85.4 | 45% | 0.446 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.7 | -39.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T299 V304 R305 | T299-A301 PolarHBondContact O-N 3.37Å; T299-A301 VanDerWaalsContact O-N 3.14Å; T299-A301 PolarHBondContact OG1-N 2.71Å; A301-V304 PolarHBondContact O-N 2.87Å; A301-R305 WeakPolarHBondContact O-CG 3.26Å; A301-R305 PolarHBondContact O-N 3.24Å |
| 302 | D | 66.9 | Low | 66.2 | Low | 43 Ų | 43 | 82.7 Ų | 82.7 | 23% | 0.23 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -70.6 | -37.5 | 178.9 | -57.9 | -44.7 | 0 | 0 | 0 | 111.2 | F298 T299 R305 W306 | F298-D302 HydrophobicContact CD1-CB 3.87Å; T299-D302 PolarHBondContact O-N 2.89Å; T299-D302 VanDerWaalsContact O-N 3.12Å; T299-D302 VanDerWaalsContact OG1-CG 3.3Å; T299-D302 PolarHBondContact OG1-N 3.44Å; T299-D302 PolarHBondContact OG1-OD2 3.38Å; D302-R305 PolarHBondContact O-N 3.18Å; D302-R305 IonicContact OD1-NH1 3.64Å; D302-W306 PolarHBondContact O-N 3.27Å |
| 303 | F | 69.6 | Low | 66.1 | Low | 66 Ų | 66 | 83.7 Ų | 83.7 | 29% | 0.289 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 172.5 | 179.1 | -109.4 | 0 | 0 | 0 | 112 | T299 L300 R305 W306 L307 L326 | T299-F303 PolarHBondContact O-N 3.36Å; L300-F303 HydrophobicContact CD1-CD1 4.49Å; L300-F303 PolarHBondContact O-N 2.91Å; F303-R305 PolarHBondContact O-N 3.02Å; F303-W306 HydrophobicContact CD2-CE3 4.48Å; F303-W306 HydrophobicContact CE2-CE3 4.42Å; F303-W306 HydrophobicContact CE2-CZ3 4.39Å; F303-W306 PolarHBondContact O-N 3.44Å; F303-L307 HydrophobicContact CD1-CD1 3.83Å; F303-L307 HydrophobicContact CD1-CG 4.38Å; F303-L307 HydrophobicContact CE1-CD1 3.25Å; F303-L307 HydrophobicContact CE1-CG 4.03Å; F303-L307 HydrophobicContact CE2-CD1 4.22Å; F303-L307 HydrophobicContact CE2-CD2 4.4Å; F303-L307 HydrophobicContact CE2-CG 4.14Å; F303-L307 HydrophobicContact CZ-CD1 3.48Å; F303-L307 VanDerWaalsContact CZ-CD1 3.48Å; F303-L307 HydrophobicContact CZ-CD2 4.2Å; F303-L307 HydrophobicContact CZ-CG 3.9Å; F303-L307 WeakPolarHBondContact O-CB 3.47Å; F303-L307 WeakPolarHBondContact O-CG 3.46Å; F303-L307 PolarHBondContact O-N 3.4Å; F303-L326 HydrophobicContact CZ-CD2 4.31Å |
| 304 | V | 71.8 | Confident | 65.9 | Low | 71 Ų | 71 | 83.9 Ų | 83.9 | 43% | 0.43 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 178.3 | 171.7 | 0 | 0 | 0 | 0 | 111.7 | L300 A301 S308 | L300-V304 VanDerWaalsContact O-CG2 3.28Å; L300-V304 WeakPolarHBondContact O-CG2 3.47Å; L300-V304 PolarHBondContact O-N 3.49Å; A301-V304 PolarHBondContact O-N 2.87Å; V304-S308 WeakPolarHBondContact O-CB 3.48Å; V304-S308 PolarHBondContact O-N 3.37Å |
| 305 | R | 70.6 | Confident | 65.7 | Low | 179 Ų | 179 | 82.4 Ų | 82.4 | 68% | 0.675 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63 | -46.1 | 174.7 | -76.6 | 176.4 | 179.6 | 161.1 | -3 | 112 | A301 D302 F303 S308 S309 | A301-R305 WeakPolarHBondContact O-CG 3.26Å; A301-R305 PolarHBondContact O-N 3.24Å; D302-R305 PolarHBondContact O-N 3.18Å; D302-R305 IonicContact OD1-NH1 3.64Å; F303-R305 PolarHBondContact O-N 3.02Å; R305-S308 PolarHBondContact O-N 3.45Å; R305-S309 PolarHBondContact O-N 2.86Å |
| 306 | W | 73.8 | Confident | 65.3 | Low | 28 Ų | 28 | 82.5 Ų | 82.5 | 11% | 0.106 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -62.5 | -47.7 | 176.6 | 176.6 | 77.5 | 0 | 0 | 0 | 111.8 | L268 F286 T289 Y293 D302 F303 S308 S309 V310 | L268-W306 HydrophobicContact CD2-CB 4.13Å; L268-W306 HydrophobicContact CD2-CG 3.99Å; F286-W306 AromaticContact CD2-CH2 3.75Å; F286-W306 HydrophobicContact CD2-CH2 3.75Å; F286-W306 AromaticContact CE2-CH2 3.54Å; F286-W306 HydrophobicContact CE2-CH2 3.54Å; F286-W306 HydrophobicContact CE2-CZ3 4.05Å; T289-W306 HydrophobicContact CG2-CH2 4.35Å; T289-W306 HydrophobicContact CG2-CZ2 3.7Å; Y293-W306 AromaticContact CE2-CD2 3.96Å; Y293-W306 HydrophobicContact CE2-CD2 3.96Å; Y293-W306 HydrophobicContact CE2-CE3 4.15Å; Y293-W306 HydrophobicContact CE2-CG 4.27Å; Y293-W306 WeakPolarHBondContact OH-CB 3.32Å; D302-W306 PolarHBondContact O-N 3.27Å; F303-W306 HydrophobicContact CD2-CE3 4.48Å; F303-W306 HydrophobicContact CE2-CE3 4.42Å; F303-W306 HydrophobicContact CE2-CZ3 4.39Å; F303-W306 PolarHBondContact O-N 3.44Å; W306-S308 VanDerWaalsContact C-N 3.28Å; W306-S308 PolarHBondContact O-N 3.03Å; W306-S309 WeakPolarHBondContact O-CB 3.26Å; W306-S309 PolarHBondContact O-N 3.1Å; W306-V310 HydrophobicContact CD2-CG2 3.97Å; W306-V310 HydrophobicContact CE3-CG2 4.44Å; W306-V310 HydrophobicContact CG-CG2 4.45Å; W306-V310 HydrophobicContact CH2-CG2 4.3Å; W306-V310 HydrophobicContact CZ2-CG2 3.79Å; W306-V310 WeakPolarHBondContact O-CG2 3.38Å; W306-V310 PolarHBondContact O-N 2.99Å |
| 307 | L | 69.4 | Low | 65.6 | Low | 28 Ų | 28 | 83.2 Ų | 83.2 | 15% | 0.147 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -55.9 | -44.4 | 174.8 | -78.3 | -176.3 | 0 | 0 | 0 | 111.6 | F303 S309 V310 F311 L326 | F303-L307 HydrophobicContact CD1-CD1 3.83Å; F303-L307 HydrophobicContact CD1-CG 4.38Å; F303-L307 HydrophobicContact CE1-CD1 3.25Å; F303-L307 HydrophobicContact CE1-CG 4.03Å; F303-L307 HydrophobicContact CE2-CD1 4.22Å; F303-L307 HydrophobicContact CE2-CD2 4.4Å; F303-L307 HydrophobicContact CE2-CG 4.14Å; F303-L307 HydrophobicContact CZ-CD1 3.48Å; F303-L307 VanDerWaalsContact CZ-CD1 3.48Å; F303-L307 HydrophobicContact CZ-CD2 4.2Å; F303-L307 HydrophobicContact CZ-CG 3.9Å; F303-L307 WeakPolarHBondContact O-CB 3.47Å; F303-L307 WeakPolarHBondContact O-CG 3.46Å; F303-L307 PolarHBondContact O-N 3.4Å; L307-S309 VanDerWaalsContact C-N 3.29Å; L307-S309 PolarHBondContact O-N 3.34Å; L307-V310 PolarHBondContact O-N 2.83Å; L307-F311 HydrophobicContact CB-CD2 4.31Å; L307-F311 HydrophobicContact CB-CE2 4.38Å; L307-F311 HydrophobicContact CD2-CE2 4.19Å; L307-F311 WeakPolarHBondContact O-CB 3.47Å; L307-F311 WeakPolarHBondContact O-CD2 3.39Å; L307-F311 PolarHBondContact O-N 2.77Å; L307-L326 HydrophobicContact CD2-CD1 3.54Å; L307-L326 HydrophobicContact CD2-CD2 3.85Å; L307-L326 HydrophobicContact CD2-CG 4.36Å |
| 308 | S | 69.5 | Low | 65.8 | Low | 72 Ų | 72 | 83.9 Ų | 83.9 | 50% | 0.503 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.6 | -36.5 | 177.2 | -170.6 | 0 | 0 | 0 | 0 | 112.5 | V304 R305 W306 S312 | V304-S308 WeakPolarHBondContact O-CB 3.48Å; V304-S308 PolarHBondContact O-N 3.37Å; R305-S308 PolarHBondContact O-N 3.45Å; W306-S308 VanDerWaalsContact C-N 3.28Å; W306-S308 PolarHBondContact O-N 3.03Å; S308-S312 VanDerWaalsContact O-CB 3.26Å; S308-S312 WeakPolarHBondContact O-CB 3.44Å; S308-S312 PolarHBondContact O-N 2.85Å |
| 309 | S | 67.4 | Low | 65.9 | Low | 48 Ų | 48 | 81.2 Ų | 81.2 | 34% | 0.336 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.7 | -49.5 | 174.9 | -175.7 | 0 | 0 | 0 | 0 | 111.3 | R305 W306 L307 F311 S312 S313 | R305-S309 PolarHBondContact O-N 2.86Å; W306-S309 WeakPolarHBondContact O-CB 3.26Å; W306-S309 PolarHBondContact O-N 3.1Å; L307-S309 VanDerWaalsContact C-N 3.29Å; L307-S309 PolarHBondContact O-N 3.34Å; S309-F311 PolarHBondContact O-N 3.31Å; S309-S312 PolarHBondContact O-N 2.82Å; S309-S312 VanDerWaalsContact O-N 3.11Å; S309-S313 PolarHBondContact O-N 3.32Å; S309-S313 VanDerWaalsContact O-N 3.12Å |
| 310 | V | 65.6 | Low | 65.5 | Low | 39 Ų | 39 | 82.1 Ų | 82.1 | 24% | 0.236 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 178 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | W306 L307 S312 S313 C314 | W306-V310 HydrophobicContact CD2-CG2 3.97Å; W306-V310 HydrophobicContact CE3-CG2 4.44Å; W306-V310 HydrophobicContact CG-CG2 4.45Å; W306-V310 HydrophobicContact CH2-CG2 4.3Å; W306-V310 HydrophobicContact CZ2-CG2 3.79Å; W306-V310 WeakPolarHBondContact O-CG2 3.38Å; W306-V310 PolarHBondContact O-N 2.99Å; L307-V310 PolarHBondContact O-N 2.83Å; V310-S312 VanDerWaalsContact C-N 3.32Å; V310-S312 PolarHBondContact O-N 3.36Å; V310-S313 PolarHBondContact O-N 3.2Å; V310-C314 PolarHBondContact O-N 2.97Å; V310-C314 VanDerWaalsContact O-N 3.16Å; V310-C314 PolarHBondContact O-SG 2.9Å; V310-C314 VanDerWaalsContact O-SG 3.41Å |
| 311 | F | 66.4 | Low | 65.4 | Low | 64 Ų | 64 | 78.6 Ų | 78.6 | 28% | 0.281 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.6 | -30.6 | 177.1 | -79.6 | -61.1 | 0 | 0 | 0 | 113.4 | L307 S309 S313 C314 L323 L326 | L307-F311 HydrophobicContact CB-CD2 4.31Å; L307-F311 HydrophobicContact CB-CE2 4.38Å; L307-F311 HydrophobicContact CD2-CE2 4.19Å; L307-F311 WeakPolarHBondContact O-CB 3.47Å; L307-F311 WeakPolarHBondContact O-CD2 3.39Å; L307-F311 PolarHBondContact O-N 2.77Å; S309-F311 PolarHBondContact O-N 3.31Å; F311-S313 VanDerWaalsContact C-N 3.31Å; F311-C314 PolarHBondContact O-N 3.46Å; F311-L323 HydrophobicContact CE1-CD1 4.09Å; F311-L323 HydrophobicContact CE1-CD2 3.84Å; F311-L323 HydrophobicContact CE1-CG 3.54Å; F311-L323 HydrophobicContact CE2-CD2 4.04Å; F311-L323 HydrophobicContact CZ-CD1 4.42Å; F311-L323 HydrophobicContact CZ-CD2 3.32Å; F311-L323 HydrophobicContact CZ-CG 3.51Å; F311-L326 HydrophobicContact CE2-CD1 3.87Å; F311-L326 HydrophobicContact CZ-CD1 3.63Å |
| 312 | S | 67.2 | Low | 65.1 | Low | 94 Ų | 94 | 77.7 Ų | 77.7 | 66% | 0.657 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -71.9 | -26.6 | 176.6 | -159.5 | 0 | 0 | 0 | 0 | 112.7 | S308 S309 V310 | S308-S312 VanDerWaalsContact O-CB 3.26Å; S308-S312 WeakPolarHBondContact O-CB 3.44Å; S308-S312 PolarHBondContact O-N 2.85Å; S309-S312 PolarHBondContact O-N 2.82Å; S309-S312 VanDerWaalsContact O-N 3.11Å; V310-S312 VanDerWaalsContact C-N 3.32Å; V310-S312 PolarHBondContact O-N 3.36Å |
| 313 | S | 61.9 | Low | 65 | Low | 80 Ų | 80 | 78 Ų | 78 | 56% | 0.559 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -84.2 | -24.8 | 174.6 | -74.3 | 0 | 0 | 0 | 0 | 113.5 | S309 V310 F311 K315 | S309-S313 PolarHBondContact O-N 3.32Å; S309-S313 VanDerWaalsContact O-N 3.12Å; V310-S313 PolarHBondContact O-N 3.2Å; F311-S313 VanDerWaalsContact C-N 3.31Å; S313-K315 PolarHBondContact O-N 2.83Å |
| 314 | C | 58.4 | Low | 65 | Low | 29 Ų | 29 | 80.6 Ų | 80.6 | 20% | 0.196 | 44% | 0.444 | C | S | . | . | trans | -81.8 | 78 | 178.5 | -69.5 | 0 | 0 | 0 | 0 | 112.9 | V310 F311 N316 | V310-C314 PolarHBondContact O-N 2.97Å; V310-C314 VanDerWaalsContact O-N 3.16Å; V310-C314 PolarHBondContact O-SG 2.9Å; V310-C314 VanDerWaalsContact O-SG 3.41Å; F311-C314 PolarHBondContact O-N 3.46Å; C314-N316 PolarHBondContact O-N 2.88Å | ||
| 315 | K | 55.4 | Low | 64.9 | Low | 178 Ų | 178 | 81.5 Ų | 81.5 | 77% | 0.774 | 44% | 0.442 | S | S | * | . | trans | -74.3 | 104.9 | 168.1 | -67.5 | 177.4 | -178.1 | 172.8 | 0 | 110.3 | S313 | S313-K315 PolarHBondContact O-N 2.83Š| ||
| 316 | N | 55.6 | Low | 64.7 | Low | 154 Ų | 154 | 74 Ų | 74 | 82% | 0.824 | 42% | 0.415 | S | S | * | . | S | Bend | trans | 95.5 | 5.3 | 141.5 | -58 | -24.2 | 0 | 0 | 0 | 123.6 | C314 | C314-N316 PolarHBondContact O-N 2.88Š|
| 317 | S | 61.1 | Low | 64.5 | Low | 88 Ų | 88 | 77.9 Ų | 77.9 | 62% | 0.615 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -152.6 | -33 | 169.2 | -150.9 | 0 | 0 | 0 | 0 | 117 | ||
| 318 | Y | 61.3 | Low | 64.5 | Low | 146 Ų | 146 | 82.3 Ų | 82.3 | 57% | 0.573 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -98.9 | 0.8 | -174.9 | -56.3 | -77.2 | 0 | 0 | 0 | 114.3 | T320 S321 C322 | Y318-T320 VanDerWaalsContact C-N 3.29Å; Y318-T320 PolarHBondContact O-N 3.25Å; Y318-S321 PolarHBondContact O-N 3.46Å; Y318-S321 PolarHBondContact O-OG 3.25Å; Y318-S321 VanDerWaalsContact O-OG 3.05Å; Y318-C322 WeakPolarHBondContact O-CB 3.49Å; Y318-C322 PolarHBondContact O-N 3.26Å; Y318-C322 VanDerWaalsContact O-N 3.1Å; Y318-C322 PolarHBondContact O-SG 2.92Å |
| 319 | A | 63.2 | Low | 64.2 | Low | 26 Ų | 26 | 81.4 Ų | 81.4 | 22% | 0.215 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -64.6 | -33.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L323 | A319-L323 VanDerWaalsContact O-CB 3.26Å; A319-L323 WeakPolarHBondContact O-CB 3.46Å; A319-L323 WeakPolarHBondContact O-CD1 3.39Å; A319-L323 VanDerWaalsContact O-CG 3.26Å; A319-L323 WeakPolarHBondContact O-CG 3.47Å; A319-L323 PolarHBondContact O-N 2.8Å |
| 320 | T | 62.7 | Low | 64 | Low | 98 Ų | 98 | 81.4 Ų | 81.4 | 60% | 0.601 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -71.3 | -43.3 | -180 | 48.4 | 0 | 0 | 0 | 0 | 112.3 | Y318 L323 L324 | Y318-T320 VanDerWaalsContact C-N 3.29Å; Y318-T320 PolarHBondContact O-N 3.25Å; T320-L323 PolarHBondContact O-N 3.09Å; T320-L324 VanDerWaalsContact O-CG 3.31Å; T320-L324 WeakPolarHBondContact O-CG 3.31Å; T320-L324 PolarHBondContact O-N 3.47Å |
| 321 | S | 65.7 | Low | 63.9 | Low | 65 Ų | 65 | 81.6 Ų | 81.6 | 46% | 0.455 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.6 | -37.1 | 176.3 | 57.2 | 0 | 0 | 0 | 0 | 111.8 | Y318 F325 | Y318-S321 PolarHBondContact O-N 3.46Å; Y318-S321 PolarHBondContact O-OG 3.25Å; Y318-S321 VanDerWaalsContact O-OG 3.05Å; S321-F325 WeakPolarHBondContact O-CB 3.44Å; S321-F325 PolarHBondContact O-N 2.8Å |
| 322 | C | 63.2 | Low | 63.7 | Low | 35 Ų | 35 | 82.7 Ų | 82.7 | 24% | 0.236 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -66.7 | -39.7 | 172.9 | -64.7 | 0 | 0 | 0 | 0 | 112.1 | Y318 F325 L326 | Y318-C322 WeakPolarHBondContact O-CB 3.49Å; Y318-C322 PolarHBondContact O-N 3.26Å; Y318-C322 VanDerWaalsContact O-N 3.1Å; Y318-C322 PolarHBondContact O-SG 2.92Å; C322-F325 PolarHBondContact O-N 3.34Å; C322-L326 VanDerWaalsContact O-CB 3.32Å; C322-L326 WeakPolarHBondContact O-CB 3.27Å; C322-L326 WeakPolarHBondContact O-CG 3.47Å; C322-L326 PolarHBondContact O-N 3.12Å |
| 323 | L | 66.2 | Low | 63.4 | Low | 51 Ų | 51 | 86.1 Ų | 86.1 | 27% | 0.267 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 174.4 | -84.8 | 164.9 | 0 | 0 | 0 | 112.6 | W5 F311 A319 T320 F325 L326 L327 | W5-L323 HydrophobicContact CH2-CD1 4.04Å; W5-L323 HydrophobicContact CZ3-CD1 4.44Å; F311-L323 HydrophobicContact CE1-CD1 4.09Å; F311-L323 HydrophobicContact CE1-CD2 3.84Å; F311-L323 HydrophobicContact CE1-CG 3.54Å; F311-L323 HydrophobicContact CE2-CD2 4.04Å; F311-L323 HydrophobicContact CZ-CD1 4.42Å; F311-L323 HydrophobicContact CZ-CD2 3.32Å; F311-L323 HydrophobicContact CZ-CG 3.51Å; A319-L323 VanDerWaalsContact O-CB 3.26Å; A319-L323 WeakPolarHBondContact O-CB 3.46Å; A319-L323 WeakPolarHBondContact O-CD1 3.39Å; A319-L323 VanDerWaalsContact O-CG 3.26Å; A319-L323 WeakPolarHBondContact O-CG 3.47Å; A319-L323 PolarHBondContact O-N 2.8Å; T320-L323 PolarHBondContact O-N 3.09Å; L323-F325 VanDerWaalsContact C-N 3.31Å; L323-F325 PolarHBondContact O-N 3.08Å; L323-L326 PolarHBondContact O-N 3.31Å; L323-L327 WeakPolarHBondContact O-CB 3.38Å; L323-L327 VanDerWaalsContact O-CG 3.27Å; L323-L327 WeakPolarHBondContact O-CG 3.27Å; L323-L327 PolarHBondContact O-N 3.33Å |
| 324 | L | 69.5 | Low | 63.1 | Low | 120 Ų | 120 | 87.9 Ų | 87.9 | 63% | 0.628 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.5 | -40.2 | 176.6 | -73.4 | 172.3 | 0 | 0 | 0 | 111.2 | T320 L327 Q328 | T320-L324 VanDerWaalsContact O-CG 3.31Å; T320-L324 WeakPolarHBondContact O-CG 3.31Å; T320-L324 PolarHBondContact O-N 3.47Å; L324-L327 PolarHBondContact O-N 2.99Å; L324-Q328 WeakPolarHBondContact O-CB 3.32Å; L324-Q328 PolarHBondContact O-N 2.83Å |
| 325 | F | 68.4 | Low | 62.8 | Low | 90 Ų | 90 | 90.9 Ų | 90.9 | 40% | 0.395 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.2 | -38.1 | 175.7 | -168.3 | -108.5 | 0 | 0 | 0 | 112.3 | F286 S321 C322 L323 Q328 L329 | F286-F325 HydrophobicContact CD1-CD1 4.04Å; F286-F325 AromaticContact CD1-CE1 3.85Å; F286-F325 HydrophobicContact CD1-CE1 3.85Å; F286-F325 AromaticContact CE1-CD1 3.53Å; F286-F325 HydrophobicContact CE1-CD1 3.53Å; F286-F325 AromaticContact CE1-CE1 3.65Å; F286-F325 HydrophobicContact CE1-CE1 3.65Å; S321-F325 WeakPolarHBondContact O-CB 3.44Å; S321-F325 PolarHBondContact O-N 2.8Å; C322-F325 PolarHBondContact O-N 3.34Å; L323-F325 VanDerWaalsContact C-N 3.31Å; L323-F325 PolarHBondContact O-N 3.08Å; F325-Q328 WeakPolarHBondContact O-CB 3.17Å; F325-Q328 PolarHBondContact O-N 3.24Å; F325-L329 HydrophobicContact CD1-CD1 3.71Å; F325-L329 HydrophobicContact CE1-CD1 3.44Å; F325-L329 VanDerWaalsContact CE1-CD1 3.44Å; F325-L329 HydrophobicContact CE1-CG 4.32Å; F325-L329 HydrophobicContact CZ-CD1 4.06Å; F325-L329 WeakPolarHBondContact O-CG 3.29Å; F325-L329 PolarHBondContact O-N 3.07Å |
| 326 | L | 67.8 | Low | 62.9 | Low | 20 Ų | 20 | 87 Ų | 87 | 11% | 0.105 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -67.3 | -38.4 | 173.2 | -83.7 | 167 | 0 | 0 | 0 | 112.8 | F286 F303 L307 F311 C322 L323 Q328 L329 A330 | F286-L326 HydrophobicContact CE1-CD2 4.5Å; F286-L326 HydrophobicContact CE2-CD2 4.35Å; F286-L326 HydrophobicContact CZ-CD1 4.35Å; F286-L326 HydrophobicContact CZ-CD2 3.57Å; F286-L326 HydrophobicContact CZ-CG 3.78Å; F303-L326 HydrophobicContact CZ-CD2 4.31Å; L307-L326 HydrophobicContact CD2-CD1 3.54Å; L307-L326 HydrophobicContact CD2-CD2 3.85Å; L307-L326 HydrophobicContact CD2-CG 4.36Å; F311-L326 HydrophobicContact CE2-CD1 3.87Å; F311-L326 HydrophobicContact CZ-CD1 3.63Å; C322-L326 VanDerWaalsContact O-CB 3.32Å; C322-L326 WeakPolarHBondContact O-CB 3.27Å; C322-L326 WeakPolarHBondContact O-CG 3.47Å; C322-L326 PolarHBondContact O-N 3.12Å; L323-L326 PolarHBondContact O-N 3.31Å; L326-Q328 VanDerWaalsContact C-N 3.34Å; L326-L329 PolarHBondContact O-N 3.45Å; L326-A330 WeakPolarHBondContact O-CB 3.39Å; L326-A330 PolarHBondContact O-N 3.38Å |
| 327 | L | 67.8 | Low | 63.1 | Low | 110 Ų | 110 | 83.8 Ų | 83.8 | 58% | 0.576 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64.9 | -40.7 | 173.8 | -77.7 | 166.2 | 0 | 0 | 0 | 110.7 | L323 L324 A330 S331 | L323-L327 WeakPolarHBondContact O-CB 3.38Å; L323-L327 VanDerWaalsContact O-CG 3.27Å; L323-L327 WeakPolarHBondContact O-CG 3.27Å; L323-L327 PolarHBondContact O-N 3.33Å; L324-L327 PolarHBondContact O-N 2.99Å; L327-A330 PolarHBondContact O-N 3.46Å; L327-S331 PolarHBondContact O-N 3.37Å; L327-S331 PolarHBondContact O-OG 3.47Å |
| 328 | Q | 69.4 | Low | 62.3 | Low | 121 Ų | 121 | 85.8 Ų | 85.8 | 57% | 0.565 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -61.7 | -43.2 | 174.6 | -170 | 67.1 | 27.5 | 0 | 0 | 112.1 | L324 F325 L326 S331 D332 | L324-Q328 WeakPolarHBondContact O-CB 3.32Å; L324-Q328 PolarHBondContact O-N 2.83Å; F325-Q328 WeakPolarHBondContact O-CB 3.17Å; F325-Q328 PolarHBondContact O-N 3.24Å; L326-Q328 VanDerWaalsContact C-N 3.34Å; Q328-S331 VanDerWaalsContact C-OG 3.25Å; Q328-S331 WeakPolarHBondContact CA-OG 3.47Å; Q328-S331 PolarHBondContact O-OG 2.95Å; Q328-D332 PolarHBondContact O-N 2.97Å |
| 329 | L | 63.6 | Low | 61.6 | Low | 54 Ų | 54 | 84.7 Ų | 84.7 | 28% | 0.283 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -73.9 | -32.5 | 177.1 | -73.7 | 167.1 | 0 | 0 | 0 | 112.8 | F286 I290 F325 L326 D332 R333 | F286-L329 HydrophobicContact CE1-CD1 4.09Å; I290-L329 HydrophobicContact CD1-CD1 3.62Å; F325-L329 HydrophobicContact CD1-CD1 3.71Å; F325-L329 HydrophobicContact CE1-CD1 3.44Å; F325-L329 VanDerWaalsContact CE1-CD1 3.44Å; F325-L329 HydrophobicContact CE1-CG 4.32Å; F325-L329 HydrophobicContact CZ-CD1 4.06Å; F325-L329 WeakPolarHBondContact O-CG 3.29Å; F325-L329 PolarHBondContact O-N 3.07Å; L326-L329 PolarHBondContact O-N 3.45Å; L329-D332 PolarHBondContact O-N 3.29Å; L329-R333 PolarHBondContact O-N 3.41Å; L329-R333 VanDerWaalsContact O-N 3.14Å |
| 330 | A | 62.8 | Low | 61.8 | Low | 48 Ų | 48 | 93.3 Ų | 93.3 | 40% | 0.397 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.6 | -38.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L326 L327 D332 R333 L334 | L326-A330 WeakPolarHBondContact O-CB 3.39Å; L326-A330 PolarHBondContact O-N 3.38Å; L327-A330 PolarHBondContact O-N 3.46Å; A330-D332 VanDerWaalsContact C-N 3.26Å; A330-D332 PolarHBondContact O-N 3.23Å; A330-R333 PolarHBondContact O-N 3.38Å; A330-L334 WeakPolarHBondContact O-CB 3.37Å; A330-L334 PolarHBondContact O-N 3.44Å |
| 331 | S | 65.2 | Low | 61.8 | Low | 43 Ų | 43 | 96.5 Ų | 96.5 | 30% | 0.301 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.7 | -40.5 | 171.1 | 34.6 | 0 | 0 | 0 | 0 | 111.4 | L327 Q328 R333 L334 I335 | L327-S331 PolarHBondContact O-N 3.37Å; L327-S331 PolarHBondContact O-OG 3.47Å; Q328-S331 VanDerWaalsContact C-OG 3.25Å; Q328-S331 WeakPolarHBondContact CA-OG 3.47Å; Q328-S331 PolarHBondContact O-OG 2.95Å; S331-R333 PolarHBondContact O-N 3.31Å; S331-L334 PolarHBondContact O-N 3.02Å; S331-I335 WeakPolarHBondContact O-CB 3.24Å; S331-I335 VanDerWaalsContact O-CD1 3.25Å; S331-I335 WeakPolarHBondContact O-CD1 3.31Å; S331-I335 WeakPolarHBondContact O-CG1 3.43Å; S331-I335 PolarHBondContact O-N 3.25Å |
| 332 | D | 61.7 | Low | 61 | Low | 87 Ų | 87 | 100 Ų | 100 | 47% | 0.465 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 177.4 | -68.2 | -22.4 | 0 | 0 | 0 | 112.2 | Q328 L329 A330 V336 | Q328-D332 PolarHBondContact O-N 2.97Å; L329-D332 PolarHBondContact O-N 3.29Å; A330-D332 VanDerWaalsContact C-N 3.26Å; A330-D332 PolarHBondContact O-N 3.23Å; D332-V336 WeakPolarHBondContact O-CB 3.38Å; D332-V336 WeakPolarHBondContact O-CG2 3.23Å; D332-V336 PolarHBondContact O-N 3.24Å |
| 333 | R | 60.2 | Low | 60.8 | Low | 166 Ų | 166 | 103.3 Ų | 103.3 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.2 | -40.9 | 175.4 | -91.4 | -158.1 | -179.7 | -156.1 | 4.2 | 113.1 | Y293 L329 A330 S331 V336 E337 | Y293-R333 PolarHBondContact O-NH2 3Å; L329-R333 PolarHBondContact O-N 3.41Å; L329-R333 VanDerWaalsContact O-N 3.14Å; A330-R333 PolarHBondContact O-N 3.38Å; S331-R333 PolarHBondContact O-N 3.31Å; R333-V336 PolarHBondContact O-N 3.25Å; R333-E337 WeakPolarHBondContact O-CB 3.32Å; R333-E337 PolarHBondContact O-N 3.38Å |
| 334 | L | 55.3 | Low | 60.6 | Low | 116 Ų | 116 | 106 Ų | 106 | 61% | 0.607 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.2 | -37.3 | -178.7 | -130.7 | 140.3 | 0 | 0 | 0 | 110.6 | A330 S331 M338 | A330-L334 WeakPolarHBondContact O-CB 3.37Å; A330-L334 PolarHBondContact O-N 3.44Å; S331-L334 PolarHBondContact O-N 3.02Å; L334-M338 HydrophobicContact CD2-CG 4.14Å; L334-M338 WeakPolarHBondContact O-CB 3.31Å; L334-M338 WeakPolarHBondContact O-CG 3.41Å; L334-M338 PolarHBondContact O-N 3.13Å |
| 335 | I | 52 | Low | 60.1 | Low | 93 Ų | 93 | 105.2 Ų | 105.2 | 48% | 0.477 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 172.9 | -69.1 | 165 | 0 | 0 | 0 | 110.4 | S331 M338 L339 | S331-I335 WeakPolarHBondContact O-CB 3.24Å; S331-I335 VanDerWaalsContact O-CD1 3.25Å; S331-I335 WeakPolarHBondContact O-CD1 3.31Å; S331-I335 WeakPolarHBondContact O-CG1 3.43Å; S331-I335 PolarHBondContact O-N 3.25Å; I335-M338 PolarHBondContact O-N 3.21Å; I335-L339 HydrophobicContact CG2-CD1 3.75Å; I335-L339 HydrophobicContact CG2-CG 4.41Å; I335-L339 VanDerWaalsContact O-CB 3.29Å; I335-L339 WeakPolarHBondContact O-CB 3.38Å; I335-L339 WeakPolarHBondContact O-CD1 3.32Å; I335-L339 WeakPolarHBondContact O-CG 3.49Å; I335-L339 PolarHBondContact O-N 3.33Å |
| 336 | V | 58.9 | Low | 59.6 | Low | 95 Ų | 95 | 106.1 Ų | 106.1 | 58% | 0.576 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69 | -38.3 | 178.7 | 172 | 0 | 0 | 0 | 0 | 112.6 | D332 R333 R340 | D332-V336 WeakPolarHBondContact O-CB 3.38Å; D332-V336 WeakPolarHBondContact O-CG2 3.23Å; D332-V336 PolarHBondContact O-N 3.24Å; R333-V336 PolarHBondContact O-N 3.25Å; V336-R340 WeakPolarHBondContact O-CB 3.46Å; V336-R340 PolarHBondContact O-N 3.16Å |
| 337 | E | 58.5 | Low | 59.1 | Low | 88 Ų | 88 | 111.5 Ų | 111.5 | 41% | 0.411 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -71.7 | -38.4 | 174.8 | -105 | -75.4 | 147.6 | 0 | 0 | 112.4 | R333 R340 K341 | R333-E337 WeakPolarHBondContact O-CB 3.32Å; R333-E337 PolarHBondContact O-N 3.38Å; E337-R340 PolarHBondContact O-N 2.85Å; E337-K341 PolarHBondContact O-N 2.91Å; E337-K341 VanDerWaalsContact O-N 3.12Å; E337-K341 WeakPolarHBondContact OE2-CD 3.34Å; E337-K341 WeakPolarHBondContact OE2-CE 3.3Å; E337-K341 IonicContact OE2-NZ 3.91Å; E337-K341 PolarHBondContact OE2-NZ 3.45Å |
| 338 | M | 45 | Very low | 58.5 | Low | 130 Ų | 130 | 111.6 Ų | 111.6 | 64% | 0.64 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63 | -42.1 | 173.1 | -72.6 | -113.3 | -63.6 | 0 | 0 | 111.6 | L334 I335 R340 K341 S342 | L334-M338 HydrophobicContact CD2-CG 4.14Å; L334-M338 WeakPolarHBondContact O-CB 3.31Å; L334-M338 WeakPolarHBondContact O-CG 3.41Å; L334-M338 PolarHBondContact O-N 3.13Å; I335-M338 PolarHBondContact O-N 3.21Å; M338-R340 VanDerWaalsContact C-N 3.29Å; M338-R340 PolarHBondContact O-N 3.02Å; M338-K341 PolarHBondContact O-N 2.84Å; M338-S342 PolarHBondContact O-N 3.07Å; M338-S342 VanDerWaalsContact O-N 3.15Å; M338-S342 PolarHBondContact O-OG 3.11Å |
| 339 | L | 46.3 | Very low | 57.7 | Low | 122 Ų | 122 | 110.9 Ų | 110.9 | 64% | 0.639 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -71.6 | -20 | 176.4 | -73.2 | 170.2 | 0 | 0 | 0 | 113.8 | I335 | I335-L339 HydrophobicContact CG2-CD1 3.75Å; I335-L339 HydrophobicContact CG2-CG 4.41Å; I335-L339 VanDerWaalsContact O-CB 3.29Å; I335-L339 WeakPolarHBondContact O-CB 3.38Å; I335-L339 WeakPolarHBondContact O-CD1 3.32Å; I335-L339 WeakPolarHBondContact O-CG 3.49Å; I335-L339 PolarHBondContact O-N 3.33Å |
| 340 | R | 68.3 | Low | 57.2 | Low | 207 Ų | 207 | 115.3 Ų | 115.3 | 78% | 0.781 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -84.9 | -25.4 | 175.7 | -169.8 | 176.6 | -172 | 145.7 | 2.8 | 112.6 | V336 E337 M338 | V336-R340 WeakPolarHBondContact O-CB 3.46Å; V336-R340 PolarHBondContact O-N 3.16Å; E337-R340 PolarHBondContact O-N 2.85Å; M338-R340 VanDerWaalsContact C-N 3.29Å; M338-R340 PolarHBondContact O-N 3.02Å |
| 341 | K | 61.2 | Low | 56.8 | Low | 166 Ų | 166 | 120.9 Ų | 120.9 | 72% | 0.722 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -96.8 | -15.6 | -178.8 | -78.2 | 176.1 | 171.9 | 152.7 | 0 | 114.5 | E337 M338 | E337-K341 PolarHBondContact O-N 2.91Å; E337-K341 VanDerWaalsContact O-N 3.12Å; E337-K341 WeakPolarHBondContact OE2-CD 3.34Å; E337-K341 WeakPolarHBondContact OE2-CE 3.3Å; E337-K341 IonicContact OE2-NZ 3.91Å; E337-K341 PolarHBondContact OE2-NZ 3.45Å; M338-K341 PolarHBondContact O-N 2.84Å |
| 342 | S | 48.7 | Very low | 56 | Low | 138 Ų | 138 | 128 Ų | 128 | 97% | 0.965 | 63% | 0.628 | S | S | * | * | trans | -84.3 | 0 | 165.9 | 72.1 | 0 | 0 | 0 | 0 | 111 | M338 | M338-S342 PolarHBondContact O-N 3.07Å; M338-S342 VanDerWaalsContact O-N 3.15Å; M338-S342 PolarHBondContact O-OG 3.11Å |
Retrieved 342 of 342 residues in 398.5 ms
(Link to these results)