| 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 | 57.1 | Low | 51.8 | Low | 218 Ų | 218 | 160.6 Ų | 160.6 | 100% | 1.074 | 84% | 0.837 | S | S | * | * | 0 | 104.2 | 0 | -65.6 | -170.4 | -168.3 | 0 | 0 | 107.9 | D3 | M1-D3 PolarHBondContact N-OD2 3.33Š| |||
| 2 | M | 43.9 | Very low | 51.2 | Low | 180 Ų | 180 | 155.4 Ų | 155.4 | 89% | 0.887 | 84% | 0.835 | S | S | * | * | cis | -111.3 | 139.1 | 5 | -61 | 75.4 | 171.4 | 0 | 0 | 110.8 | ||||
| 3 | D | 45.2 | Very low | 50.7 | Low | 136 Ų | 136 | 157.2 Ų | 157.2 | 73% | 0.727 | 83% | 0.834 | S | S | * | * | trans | -108.3 | 104.8 | -174.4 | -62.5 | -93.4 | 0 | 0 | 0 | 109.4 | M1 R5 | M1-D3 PolarHBondContact N-OD2 3.33Å; D3-R5 PolarHBondContact O-N 3.37Å | ||
| 4 | S | 54.7 | Low | 49.7 | Very low | 119 Ų | 119 | 160.6 Ų | 160.6 | 83% | 0.832 | 84% | 0.839 | S | S | * | * | trans | -77.7 | 105.3 | -175.2 | -68 | 0 | 0 | 0 | 0 | 111.7 | I6 | S4-I6 PolarHBondContact O-N 3.38Š| ||
| 5 | R | 45.4 | Very low | 49 | Very low | 232 Ų | 232 | 154.8 Ų | 154.8 | 88% | 0.875 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 117.8 | 178.5 | -50.4 | 177.7 | -158.8 | 168 | 5.4 | 110.4 | D3 | D3-R5 PolarHBondContact O-N 3.37Š|
| 6 | I | 58.5 | Low | 48.4 | Very low | 161 Ų | 161 | 149.9 Ų | 149.9 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 128.1 | 161.8 | -65.5 | 175.7 | 0 | 0 | 0 | 107.1 | S4 | S4-I6 PolarHBondContact O-N 3.38Š|
| 7 | L | 54.4 | Low | 48 | Very low | 155 Ų | 155 | 148.5 Ų | 148.5 | 81% | 0.812 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 125 | 172.6 | -91.4 | 71.8 | 0 | 0 | 0 | 109.3 | ||
| 8 | D | 53.8 | Low | 48 | Very low | 151 Ų | 151 | 149.8 Ų | 149.8 | 81% | 0.807 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 130.3 | 171 | -156.4 | 6.6 | 0 | 0 | 0 | 109.2 | ||
| 9 | P | 56.7 | Low | 47.8 | Very low | 107 Ų | 107 | 146.4 Ų | 146.4 | 70% | 0.695 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 142.9 | -179.2 | -22.2 | 34.6 | 0 | 0 | 0 | 113 | H11 | P9-H11 PolarHBondContact O-N 3.5Š|
| 10 | P | 58.8 | Low | 47.3 | Very low | 131 Ų | 131 | 142.8 Ų | 142.8 | 85% | 0.851 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 124.6 | -174 | 26.2 | -34.4 | 0 | 0 | 0 | 113 | A12 | P10-A12 PolarHBondContact O-N 2.98Š|
| 11 | H | 41.7 | Very low | 47.2 | Very low | 177 Ų | 177 | 145 Ų | 145 | 82% | 0.819 | 84% | 0.841 | S | S | * | * | trans | -68.1 | 109.9 | 175.1 | -176.6 | 90 | 0 | 0 | 0 | 111.1 | P9 Q13 | P9-H11 PolarHBondContact O-N 3.5Å; H11-Q13 PolarHBondContact O-N 3.38Å | ||
| 12 | A | 44.4 | Very low | 46.6 | Very low | 98 Ų | 98 | 141 Ų | 141 | 81% | 0.81 | 83% | 0.828 | S | S | * | * | trans | -75.5 | 93.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | P10 F14 | P10-A12 PolarHBondContact O-N 2.98Å; A12-F14 PolarHBondContact O-N 3.28Å | ||
| 13 | Q | 45.1 | Very low | 46.4 | Very low | 178 Ų | 178 | 135.8 Ų | 135.8 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | -69.7 | 113.5 | 175.2 | -176.8 | -178.5 | 8.6 | 0 | 0 | 111 | H11 | H11-Q13 PolarHBondContact O-N 3.38Š| ||
| 14 | F | 36.3 | Very low | 45.9 | Very low | 205 Ų | 205 | 138.9 Ų | 138.9 | 90% | 0.899 | 83% | 0.828 | S | S | * | * | trans | -140.1 | 107.9 | 169.3 | -147.4 | -91.8 | 0 | 0 | 0 | 111.7 | A12 | A12-F14 PolarHBondContact O-N 3.28Š| ||
| 15 | G | 39.5 | Very low | 45.6 | Very low | 74 Ų | 74 | 137.7 Ų | 137.7 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | -136.8 | 118 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 16 | G | 39.6 | Very low | 45.3 | Very low | 76 Ų | 76 | 136.7 Ų | 136.7 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | trans | 80 | 117.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 17 | S | 40.2 | Very low | 44.4 | Very low | 127 Ų | 127 | 136.1 Ų | 136.1 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | -161.6 | 169.3 | 103.5 | -159.7 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 18 | L | 48.4 | Very low | 43.5 | Very low | 171 Ų | 171 | 137.2 Ų | 137.2 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | trans | -103.3 | 148.8 | -175.3 | -74.7 | 151 | 0 | 0 | 0 | 112.1 | ||||
| 19 | G | 43.8 | Very low | 42.6 | Very low | 85 Ų | 85 | 134.4 Ų | 134.4 | 88% | 0.876 | 81% | 0.806 | S | S | * | * | trans | 85.5 | 127 | 156.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 20 | G | 38 | Very low | 41.8 | Very low | 75 Ų | 75 | 137.7 Ų | 137.7 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | 174.2 | 70.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V22 | G20-V22 PolarHBondContact O-N 3.39Š| ||
| 21 | M | 45.9 | Very low | 40.8 | Very low | 190 Ų | 190 | 140.1 Ų | 140.1 | 94% | 0.936 | 81% | 0.812 | S | S | * | * | trans | -84.2 | 100.2 | -178.8 | 179.9 | 166.4 | 59.4 | 0 | 0 | 111.6 | ||||
| 22 | V | 45.1 | Very low | 40.8 | Very low | 132 Ų | 132 | 139.5 Ų | 139.5 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | trans | -139 | 126.6 | 162.7 | -77.7 | 0 | 0 | 0 | 0 | 109.5 | G20 | G20-V22 PolarHBondContact O-N 3.39Š| ||
| 23 | G | 39.9 | Very low | 40.3 | Very low | 71 Ų | 71 | 141.2 Ų | 141.2 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | -100.5 | 155.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 24 | F | 32.7 | Very low | 40 | Very low | 202 Ų | 202 | 142 Ų | 142 | 89% | 0.886 | 81% | 0.806 | S | S | * | * | trans | -128.4 | 150.9 | 164.5 | -88.4 | -91.5 | 0 | 0 | 0 | 110.2 | ||||
| 25 | P | 50.3 | Low | 40.2 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 61% | 0.61 | 80% | 0.802 | S | S | * | * | trans | -112.2 | -176.2 | -159.2 | 21.7 | 0.4 | 0 | 0 | 0 | 113.9 | ||||
| 26 | Y | 37.4 | Very low | 40.2 | Very low | 211 Ų | 211 | 144.5 Ų | 144.5 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | 74.8 | 144.4 | 173.9 | -58.1 | -87.8 | 0 | 0 | 0 | 116.9 | ||||
| 27 | H | 41 | Very low | 40.4 | Very low | 149 Ų | 149 | 145.3 Ų | 145.3 | 69% | 0.69 | 80% | 0.804 | S | S | * | * | cis | -162.2 | 102.3 | -31.4 | -159.9 | -85.1 | 0 | 0 | 0 | 107.9 | ||||
| 28 | L | 34.6 | Very low | 40.5 | Very low | 178 Ų | 178 | 143 Ų | 143 | 93% | 0.932 | 80% | 0.8 | S | S | * | * | trans | -100.8 | 103.1 | 179.1 | -168.4 | 62.1 | 0 | 0 | 0 | 110 | ||||
| 29 | S | 36.2 | Very low | 40.2 | Very low | 91 Ų | 91 | 143.9 Ų | 143.9 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 147.1 | -170.1 | -61.7 | 0 | 0 | 0 | 0 | 113.8 | ||
| 30 | H | 39.8 | Very low | 39.9 | Very low | 177 Ų | 177 | 148.2 Ų | 148.2 | 82% | 0.819 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 141.1 | -173.2 | -73 | -114.7 | 0 | 0 | 0 | 113.8 | H32 | H30-H32 PolarHBondContact O-N 2.93Š|
| 31 | H | 37.8 | Very low | 40.4 | Very low | 182 Ų | 182 | 152.8 Ų | 152.8 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 124.8 | 154.7 | -85.4 | -107.9 | 0 | 0 | 0 | 109.5 | V33 | H31-V33 PolarHBondContact O-N 3.34Š|
| 32 | H | 40.7 | Very low | 40.1 | Very low | 163 Ų | 163 | 152.3 Ų | 152.3 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 117.1 | 163.9 | -92.1 | 70.6 | 0 | 0 | 0 | 109.3 | H30 Y34 | H30-H32 PolarHBondContact O-N 2.93Å; H32-Y34 PolarHBondContact O-N 3.26Å |
| 33 | V | 34.9 | Very low | 40 | Very low | 134 Ų | 134 | 151.7 Ų | 151.7 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -82.6 | 108.2 | 161.3 | 178.7 | 0 | 0 | 0 | 0 | 106.8 | H31 | H31-V33 PolarHBondContact O-N 3.34Š| ||
| 34 | Y | 38.2 | Very low | 40.1 | Very low | 195 Ų | 195 | 153.3 Ų | 153.3 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | trans | -90.2 | 102.7 | 162.9 | -103.6 | -78.7 | 0 | 0 | 0 | 108.9 | H32 | H32-Y34 PolarHBondContact O-N 3.26Š| ||
| 35 | E | 39.6 | Very low | 40.7 | Very low | 176 Ų | 176 | 149.1 Ų | 149.1 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -69.2 | 125.4 | 161.4 | -179 | 177 | 178.3 | 0 | 0 | 108.4 | ||||
| 36 | L | 39.8 | Very low | 40.9 | Very low | 156 Ų | 156 | 148.1 Ų | 148.1 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | trans | -147.8 | 136.3 | 171.4 | -141.2 | 74.2 | 0 | 0 | 0 | 110.1 | ||||
| 37 | A | 43.3 | Very low | 42 | Very low | 92 Ų | 92 | 142.6 Ų | 142.6 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | -66.9 | 149.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 38 | G | 43 | Very low | 42.8 | Very low | 78 Ų | 78 | 140.8 Ų | 140.8 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -69.1 | 139 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 39 | H | 42.6 | Very low | 43.9 | Very low | 191 Ų | 191 | 141.1 Ų | 141.1 | 88% | 0.884 | 79% | 0.785 | S | S | * | * | trans | -123.8 | 160.3 | 164.6 | -86.9 | -90.3 | 0 | 0 | 0 | 112.1 | ||||
| 40 | Q | 38.1 | Very low | 45.5 | Very low | 175 Ų | 175 | 138.8 Ų | 138.8 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -59.9 | 151.8 | -165.3 | -171.6 | 176.6 | 89 | 0 | 0 | 115.1 | Q42 | Q40-Q42 PolarHBondContact O-N 2.84Š| ||
| 41 | L | 47.6 | Very low | 47 | Very low | 172 Ų | 172 | 136.3 Ų | 136.3 | 90% | 0.901 | 76% | 0.76 | S | S | * | * | trans | -50.6 | 126.1 | 174.7 | -69.4 | 162.9 | 0 | 0 | 0 | 112.7 | ||||
| 42 | Q | 39.8 | Very low | 48.6 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 84% | 0.836 | 75% | 0.747 | S | S | * | * | trans | -130.5 | 122.9 | 159 | -75.4 | -172.2 | -9.8 | 0 | 0 | 111.4 | Q40 | Q40-Q42 PolarHBondContact O-N 2.84Š| ||
| 43 | S | 42.6 | Very low | 49.8 | Very low | 120 Ų | 120 | 126 Ų | 126 | 84% | 0.839 | 72% | 0.722 | S | S | * | * | trans | 14.5 | 118.3 | 159.7 | -52.6 | 0 | 0 | 0 | 0 | 119 | S45 | S43-S45 PolarHBondContact O-N 2.76Š| ||
| 44 | A | 42.2 | Very low | 51.5 | Low | 105 Ų | 105 | 125 Ų | 125 | 87% | 0.868 | 71% | 0.711 | S | S | * | * | trans | -59.8 | 122.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A46 | A44-A46 PolarHBondContact O-N 3.06Š| ||
| 45 | S | 45 | Very low | 53 | Low | 114 Ų | 114 | 122.5 Ų | 122.5 | 80% | 0.797 | 71% | 0.711 | S | S | * | * | trans | -67.6 | 114.9 | 169.3 | -175.1 | 0 | 0 | 0 | 0 | 109.3 | S43 V47 | S43-S45 PolarHBondContact O-N 2.76Å; S45-V47 PolarHBondContact O-N 3.24Å | ||
| 46 | A | 54.4 | Low | 54 | Low | 73 Ų | 73 | 120.7 Ų | 120.7 | 60% | 0.603 | 71% | 0.707 | S | S | * | * | trans | -70.2 | 103.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | A44 | A44-A46 PolarHBondContact O-N 3.06Š| ||
| 47 | V | 61.1 | Low | 54.5 | Low | 95 Ų | 95 | 116 Ų | 116 | 58% | 0.576 | 70% | 0.696 | S | S | * | * | trans | -61.9 | 131.1 | 172 | -63.4 | 0 | 0 | 0 | 0 | 109 | S45 F49 S50 | S45-V47 PolarHBondContact O-N 3.24Å; V47-F49 PolarHBondContact O-N 3.04Å; V47-S50 PolarHBondContact O-N 3.26Å | ||
| 48 | P | 56.8 | Low | 54.9 | Low | 110 Ų | 110 | 116 Ų | 116 | 71% | 0.714 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 9.1 | -162.1 | 26.5 | -36.2 | 0 | 0 | 0 | 115.7 | ||
| 49 | F | 57.8 | Low | 55.1 | Low | 185 Ų | 185 | 116.3 Ų | 116.3 | 81% | 0.811 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.8 | 15.8 | 175.7 | -62.6 | -75.7 | 0 | 0 | 0 | 113.1 | V47 | V47-F49 PolarHBondContact O-N 3.04Š|
| 50 | S | 70.4 | Confident | 55.4 | Low | 43 Ų | 43 | 113.9 Ų | 113.9 | 30% | 0.301 | 68% | 0.678 | S | S | . | * | trans | -68.7 | 142.5 | 168.7 | -148.7 | 0 | 0 | 0 | 0 | 110.1 | V47 D52 G53 L54 | V47-S50 PolarHBondContact O-N 3.26Å; S50-D52 PolarHBondContact O-N 3.05Å; S50-D52 PolarHBondContact OG-OD2 3.11Å; S50-G53 PolarHBondContact O-N 3.23Å; S50-G53 VanDerWaalsContact O-N 3.08Å; S50-L54 PolarHBondContact O-N 2.7Å | ||
| 51 | I | 70.6 | Confident | 55.9 | Low | 124 Ų | 124 | 109.2 Ų | 109.2 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -57.3 | -38.9 | 177.4 | -68.6 | 169 | 0 | 0 | 0 | 110.4 | G53 L54 L55 | I51-G53 VanDerWaalsContact C-N 3.33Å; I51-G53 PolarHBondContact O-N 3.5Å; I51-L54 PolarHBondContact O-N 2.9Å; I51-L55 HydrophobicContact CG2-CD1 3.83Å; I51-L55 HydrophobicContact CG2-CG 4.43Å; I51-L55 WeakPolarHBondContact O-CG 3.36Å; I51-L55 PolarHBondContact O-N 3.4Å |
| 52 | D | 71.2 | Confident | 55.6 | Low | 108 Ų | 108 | 106.5 Ų | 106.5 | 58% | 0.578 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -64.2 | -36.3 | 179.1 | -32.4 | -85.4 | 0 | 0 | 0 | 112.1 | S50 L54 L55 N56 | S50-D52 PolarHBondContact O-N 3.05Å; S50-D52 PolarHBondContact OG-OD2 3.11Å; D52-L54 VanDerWaalsContact C-N 3.35Å; D52-L55 PolarHBondContact O-N 2.87Å; D52-N56 VanDerWaalsContact O-CB 3.28Å; D52-N56 WeakPolarHBondContact O-CB 3.46Å; D52-N56 PolarHBondContact O-N 2.75Å |
| 53 | G | 66.1 | Low | 55.8 | Low | 22 Ų | 22 | 105 Ų | 105 | 23% | 0.227 | 67% | 0.668 | C | S | . | * | H | α-helix | trans | -70.7 | -30.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S50 I51 | S50-G53 PolarHBondContact O-N 3.23Å; S50-G53 VanDerWaalsContact O-N 3.08Å; I51-G53 VanDerWaalsContact C-N 3.33Å; I51-G53 PolarHBondContact O-N 3.5Å |
| 54 | L | 70.6 | Confident | 55.6 | Low | 111 Ų | 111 | 102.7 Ų | 102.7 | 58% | 0.581 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -75 | -39.1 | 172.9 | -63.2 | 173.8 | 0 | 0 | 0 | 111.6 | S50 I51 D52 | S50-L54 PolarHBondContact O-N 2.7Å; I51-L54 PolarHBondContact O-N 2.9Å; D52-L54 VanDerWaalsContact C-N 3.35Å |
| 55 | L | 70.1 | Confident | 55.4 | Low | 144 Ų | 144 | 104.5 Ų | 104.5 | 75% | 0.754 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -72.9 | -35.4 | 179.1 | -69.4 | 171 | 0 | 0 | 0 | 112.8 | I51 D52 G57 | I51-L55 HydrophobicContact CG2-CD1 3.83Å; I51-L55 HydrophobicContact CG2-CG 4.43Å; I51-L55 WeakPolarHBondContact O-CG 3.36Å; I51-L55 PolarHBondContact O-N 3.4Å; D52-L55 PolarHBondContact O-N 2.87Å; L55-G57 PolarHBondContact O-N 2.9Å |
| 56 | N | 60.5 | Low | 55.3 | Low | 138 Ų | 138 | 104.2 Ų | 104.2 | 74% | 0.738 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 20 | -179.2 | -150.1 | 103.8 | 0 | 0 | 0 | 113.4 | D52 S58 | D52-N56 VanDerWaalsContact O-CB 3.28Å; D52-N56 WeakPolarHBondContact O-CB 3.46Å; D52-N56 PolarHBondContact O-N 2.75Å; N56-S58 PolarHBondContact O-N 3.14Å |
| 57 | G | 51 | Low | 54.4 | Low | 58 Ų | 58 | 107.5 Ų | 107.5 | 60% | 0.598 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.6 | 9.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | L55 C59 | L55-G57 PolarHBondContact O-N 2.9Å; G57-C59 PolarHBondContact O-N 2.83Å; G57-C59 VanDerWaalsContact O-N 3.16Å |
| 58 | S | 50.8 | Low | 54.4 | Low | 92 Ų | 92 | 108.4 Ų | 108.4 | 64% | 0.643 | 67% | 0.671 | S | S | * | * | trans | -85.2 | 17.7 | -169.4 | -143.3 | 0 | 0 | 0 | 0 | 114.2 | N56 T60 | N56-S58 PolarHBondContact O-N 3.14Å; S58-T60 PolarHBondContact O-N 3.09Å | ||
| 59 | C | 47.3 | Very low | 53.5 | Low | 83 Ų | 83 | 110.7 Ų | 110.7 | 56% | 0.561 | 68% | 0.677 | S | S | * | * | trans | -84 | 95.1 | 178.8 | 55.9 | 0 | 0 | 0 | 0 | 111.5 | G57 A61 | G57-C59 PolarHBondContact O-N 2.83Å; G57-C59 VanDerWaalsContact O-N 3.16Å; C59-A61 PolarHBondContact O-N 2.76Å | ||
| 60 | T | 50.5 | Low | 52.8 | Low | 140 Ų | 140 | 109.3 Ų | 109.3 | 86% | 0.859 | 68% | 0.677 | S | S | * | * | trans | -71.9 | 38.6 | 171.8 | 51.4 | 0 | 0 | 0 | 0 | 113.4 | S58 S62 | S58-T60 PolarHBondContact O-N 3.09Å; T60-S62 VanDerWaalsContact C-N 3.33Å; T60-S62 PolarHBondContact O-N 2.79Å | ||
| 61 | A | 47.1 | Very low | 51.1 | Low | 77 Ų | 77 | 112.3 Ų | 112.3 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | trans | -90.7 | 62.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | C59 V63 | C59-A61 PolarHBondContact O-N 2.76Å; A61-V63 PolarHBondContact O-N 3Å | ||
| 62 | S | 41.7 | Very low | 49.4 | Very low | 116 Ų | 116 | 112.4 Ų | 112.4 | 81% | 0.811 | 71% | 0.71 | S | S | * | * | trans | -59 | 101.7 | 178.4 | -61.6 | 0 | 0 | 0 | 0 | 111.3 | T60 G64 | T60-S62 VanDerWaalsContact C-N 3.33Å; T60-S62 PolarHBondContact O-N 2.79Å; S62-G64 PolarHBondContact O-N 3.26Å | ||
| 63 | V | 44.2 | Very low | 47.6 | Very low | 147 Ų | 147 | 111.1 Ų | 111.1 | 89% | 0.891 | 72% | 0.722 | S | S | * | * | trans | -73.2 | 75.4 | 169.1 | -76.4 | 0 | 0 | 0 | 0 | 109.4 | A61 N65 | A61-V63 PolarHBondContact O-N 3Å; V63-N65 PolarHBondContact O-N 3.22Å; V63-N65 VanDerWaalsContact O-N 3.1Å | ||
| 64 | G | 39.3 | Very low | 46 | Very low | 72 Ų | 72 | 116.6 Ų | 116.6 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | trans | -56 | 113.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S62 | S62-G64 PolarHBondContact O-N 3.26Š| ||
| 65 | N | 36.1 | Very low | 44.4 | Very low | 142 Ų | 142 | 114.7 Ų | 114.7 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | -62.4 | 134.6 | 174.8 | -176 | 41.8 | 0 | 0 | 0 | 110.1 | V63 N67 | V63-N65 PolarHBondContact O-N 3.22Å; V63-N65 VanDerWaalsContact O-N 3.1Å; N65-N67 PolarHBondContact O-N 3.31Å | ||
| 66 | S | 43.4 | Very low | 42.9 | Very low | 108 Ų | 108 | 116.4 Ų | 116.4 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -79.8 | 109 | -178.4 | 55.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 67 | N | 35.1 | Very low | 42 | Very low | 142 Ų | 142 | 117.8 Ų | 117.8 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -137 | 141 | 161.4 | -109.7 | -14 | 0 | 0 | 0 | 110 | N65 | N65-N67 PolarHBondContact O-N 3.31Š| ||
| 68 | P | 61 | Low | 41.2 | Very low | 114 Ų | 114 | 118.6 Ų | 118.6 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | trans | -107.4 | 115.3 | -166.4 | 36.3 | -27.4 | 0 | 0 | 0 | 113.6 | ||||
| 69 | L | 38 | Very low | 40.8 | Very low | 158 Ų | 158 | 121.2 Ų | 121.2 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | -139.7 | 117 | 164.1 | -73.9 | 177.9 | 0 | 0 | 0 | 112.1 | ||||
| 70 | L | 43.2 | Very low | 40.4 | Very low | 157 Ų | 157 | 123.5 Ų | 123.5 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | 16.5 | 139.5 | 120 | -50.8 | 176.2 | 0 | 0 | 0 | 117.3 | |||||
| 71 | S | 34.5 | Very low | 39.9 | Very low | 105 Ų | 105 | 125 Ų | 125 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | cis | -168.8 | 151.1 | -9 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 72 | S | 35.9 | Very low | 39.3 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | trans | -158.2 | 136 | 155.8 | -97.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 73 | G | 32.7 | Very low | 39.3 | Very low | 81 Ų | 81 | 131.5 Ų | 131.5 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -103.9 | 140.6 | -159.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 74 | C | 32.6 | Very low | 38.9 | Very low | 136 Ų | 136 | 133.9 Ų | 133.9 | 92% | 0.919 | 79% | 0.791 | S | S | * | * | trans | -129.9 | 121.6 | 144.4 | 55 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 75 | G | 37.1 | Very low | 39.4 | Very low | 71 Ų | 71 | 138 Ų | 138 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | trans | -111.2 | 142.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 76 | M | 38.1 | Very low | 39.9 | Very low | 181 Ų | 181 | 137.1 Ų | 137.1 | 89% | 0.892 | 80% | 0.8 | S | S | * | * | trans | -153.8 | 128 | 155.1 | -156.8 | 65.1 | 68.7 | 0 | 0 | 108.8 | ||||
| 77 | N | 41.4 | Very low | 39.6 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | trans | -89.5 | 150.1 | 167.3 | -69.5 | -17.9 | 0 | 0 | 0 | 108.8 | ||||
| 78 | G | 36 | Very low | 40 | Very low | 75 Ų | 75 | 137 Ų | 137 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | 179.6 | 121.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 79 | D | 41.4 | Very low | 39.4 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | -87.4 | 158.1 | -172.9 | -77.8 | -88.9 | 0 | 0 | 0 | 115 | ||||
| 80 | N | 38.2 | Very low | 39.6 | Very low | 132 Ų | 132 | 136.5 Ų | 136.5 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | 32.6 | 105.1 | 147.2 | -78 | -84.6 | 0 | 0 | 0 | 119.9 | ||||
| 81 | Q | 40 | Very low | 40.2 | Very low | 172 Ų | 172 | 133.6 Ų | 133.6 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | -178.5 | 128.7 | 119.6 | -96.5 | 151.5 | 106.5 | 0 | 0 | 109.3 | |||||
| 82 | Q | 36.2 | Very low | 40.9 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 67% | 0.668 | 79% | 0.788 | S | S | * | * | 81.7 | 125.6 | 79.2 | -150.8 | -151.5 | -25.3 | 0 | 0 | 112.9 | |||||
| 83 | Y | 41 | Very low | 41.4 | Very low | 186 Ų | 186 | 137.4 Ų | 137.4 | 73% | 0.729 | 78% | 0.78 | S | S | * | * | trans | 35.6 | 118.5 | 167.4 | 80.5 | -69.3 | 0 | 0 | 0 | 121.4 | ||||
| 84 | K | 35.3 | Very low | 42.1 | Very low | 196 Ų | 196 | 141 Ų | 141 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | -161.5 | 142.7 | 118.6 | -127.3 | 174.3 | -178.9 | 175.2 | 0 | 112.8 | |||||
| 85 | L | 49.7 | Very low | 42.8 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | -78.9 | 135.9 | 154.3 | -85.7 | 86.3 | 0 | 0 | 0 | 108.7 | ||||
| 86 | S | 46.5 | Very low | 43.7 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | 152.3 | 111.6 | 142.1 | -84.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 87 | D | 38.4 | Very low | 44.4 | Very low | 153 Ų | 153 | 134.7 Ų | 134.7 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -141.1 | 126.4 | 150.8 | -157.8 | 13.4 | 0 | 0 | 0 | 112.6 | ||||
| 88 | S | 42.6 | Very low | 44.9 | Very low | 94 Ų | 94 | 132.2 Ų | 132.2 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | trans | -11.5 | 140.3 | 156.1 | -32.2 | 0 | 0 | 0 | 0 | 118.1 | D90 | S88-D90 PolarHBondContact O-N 2.93Š| ||
| 89 | V | 48.6 | Very low | 46.1 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 87% | 0.867 | 75% | 0.745 | S | S | * | * | trans | -76.5 | 108.9 | 155.5 | 173.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 90 | D | 42.9 | Very low | 47.3 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 63% | 0.631 | 75% | 0.749 | S | S | * | * | trans | -116.3 | 112.6 | 164.3 | 179.1 | 2.1 | 0 | 0 | 0 | 108.9 | S88 D92 | S88-D90 PolarHBondContact O-N 2.93Å; D90-D92 PolarHBondContact OD1-N 3.21Å | ||
| 91 | P | 54.5 | Low | 49.2 | Very low | 97 Ų | 97 | 145.8 Ų | 145.8 | 63% | 0.63 | 76% | 0.758 | S | S | * | * | trans | -91.8 | -8.3 | 179.3 | 35.5 | -32.3 | 0 | 0 | 0 | 114.5 | K93 | P91-K93 PolarHBondContact O-N 2.84Š| ||
| 92 | D | 49.6 | Very low | 51.2 | Low | 145 Ų | 145 | 147.9 Ų | 147.9 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | -99.7 | 43.3 | -160.5 | -83.9 | -68 | 0 | 0 | 0 | 114.7 | D90 | D90-D92 PolarHBondContact OD1-N 3.21Š| ||
| 93 | K | 45.8 | Very low | 53.7 | Low | 166 Ų | 166 | 146.9 Ų | 146.9 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | -112 | 20.3 | 179.4 | -111.6 | -67.1 | 172.8 | -176.8 | 0 | 116.2 | P91 S95 | P91-K93 PolarHBondContact O-N 2.84Å; K93-S95 PolarHBondContact O-N 3.05Å | ||
| 94 | D | 47.6 | Very low | 56.1 | Low | 157 Ų | 157 | 147.3 Ų | 147.3 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | trans | -71.4 | 88.7 | -179.4 | -121.2 | -39.6 | 0 | 0 | 0 | 112.8 | P96 | D94-P96 WeakPolarHBondContact O-CD 3.35Š| ||
| 95 | S | 48.8 | Very low | 58.9 | Low | 84 Ų | 84 | 139.7 Ų | 139.7 | 59% | 0.587 | 73% | 0.732 | S | S | * | * | trans | -89.2 | 108.2 | 171.1 | -63.8 | 0 | 0 | 0 | 0 | 110.1 | K93 G97 | K93-S95 PolarHBondContact O-N 3.05Å; S95-G97 PolarHBondContact O-N 3.43Å | ||
| 96 | P | 54.5 | Low | 61.1 | Low | 110 Ų | 110 | 137.8 Ų | 137.8 | 71% | 0.714 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 14.8 | -167.4 | 30.1 | -37.4 | 0 | 0 | 0 | 115.4 | D94 K99 | D94-P96 WeakPolarHBondContact O-CD 3.35Å; P96-K99 PolarHBondContact O-NZ 2.95Å |
| 97 | G | 54 | Low | 63.5 | Low | 62 Ų | 62 | 134.8 Ų | 134.8 | 64% | 0.639 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -58.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S95 | S95-G97 PolarHBondContact O-N 3.43Š|
| 98 | C | 50.6 | Low | 66.4 | Low | 113 Ų | 113 | 131 Ų | 131 | 76% | 0.764 | 68% | 0.677 | S | S | * | * | trans | -104.2 | 109.5 | -168 | -169.5 | 0 | 0 | 0 | 0 | 112.7 | R100 | C98-R100 PolarHBondContact O-N 3.11Š| ||
| 99 | K | 61.6 | Low | 69 | Low | 174 Ų | 174 | 128.7 Ų | 128.7 | 76% | 0.757 | 67% | 0.667 | S | S | * | * | trans | -76.2 | 69.7 | 178.8 | -75.4 | 63.9 | 170.9 | 175.9 | 0 | 110.3 | P96 R101 | P96-K99 PolarHBondContact O-NZ 2.95Å; K99-R101 PolarHBondContact O-N 3.47Å | ||
| 100 | R | 66.9 | Low | 71.4 | Confident | 229 Ų | 229 | 127.8 Ų | 127.8 | 86% | 0.864 | 65% | 0.649 | S | S | * | * | trans | -67.8 | 93.6 | -175 | -162.3 | 162.9 | 85 | 156.4 | 1.4 | 111 | C98 R102 | C98-R100 PolarHBondContact O-N 3.11Å; R100-R102 PolarHBondContact O-N 2.87Å | ||
| 101 | R | 78.9 | Confident | 74 | Confident | 237 Ų | 237 | 123.3 Ų | 123.3 | 89% | 0.894 | 62% | 0.624 | S | S | * | * | trans | -40.9 | 115 | 179.2 | -175.6 | -178.7 | -177.9 | -165.3 | 3.1 | 111.4 | K99 T103 | K99-R101 PolarHBondContact O-N 3.47Å; R101-T103 PolarHBondContact O-N 3.14Å | ||
| 102 | R | 81.4 | Confident | 76.1 | Confident | 216 Ų | 216 | 121.6 Ų | 121.6 | 82% | 0.815 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 129.7 | -176.5 | -72 | -174.5 | 177.9 | -172.4 | -0.9 | 111.3 | R100 R104 | R100-R102 PolarHBondContact O-N 2.87Å; R102-R104 PolarHBondContact O-N 3.23Å |
| 103 | T | 88 | Confident | 78.4 | Confident | 121 Ų | 121 | 120.7 Ų | 120.7 | 74% | 0.742 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 134.8 | 179.6 | -46.3 | 0 | 0 | 0 | 0 | 111.5 | R101 R143 | R101-T103 PolarHBondContact O-N 3.14Å; T103-R143 PolarHBondContact O-NH1 2.92Å |
| 104 | R | 92.7 | Very high | 80.9 | Confident | 195 Ų | 195 | 113.7 Ų | 113.7 | 74% | 0.736 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 128.3 | 176.2 | 178.5 | 176.3 | -177.8 | -92.3 | 4.6 | 109.8 | R102 N106 | R102-R104 PolarHBondContact O-N 3.23Å; R104-N106 PolarHBondContact NH1-OD1 3.25Å |
| 105 | T | 93.4 | Very high | 83.4 | Confident | 36 Ų | 36 | 106.2 Ų | 106.2 | 22% | 0.221 | 53% | 0.53 | C | S | . | . | P | Polyproline II helix | trans | -70 | 132.5 | 168.1 | -56.1 | 0 | 0 | 0 | 0 | 109.2 | F107 L139 R143 | T105-F107 HydrophobicContact CG2-CD1 4.04Å; T105-F107 HydrophobicContact CG2-CE1 3.72Å; T105-F107 HydrophobicContact CG2-CE2 4.34Å; T105-F107 HydrophobicContact CG2-CG 4.48Å; T105-F107 HydrophobicContact CG2-CZ 3.9Å; T105-L139 HydrophobicContact CG2-CD2 4.15Å; T105-R143 VanDerWaalsContact OG1-CD 3.31Å; T105-R143 WeakPolarHBondContact OG1-CD 3.25Å; T105-R143 PolarHBondContact OG1-NH1 3.48Å |
| 106 | N | 96.1 | Very high | 85.7 | Confident | 120 Ų | 120 | 105.8 Ų | 105.8 | 64% | 0.642 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -102.1 | 134.4 | 162.9 | -57.5 | -50.1 | 0 | 0 | 0 | 106.7 | R104 | R104-N106 PolarHBondContact NH1-OD1 3.25Š|
| 107 | F | 97.4 | Very high | 87.8 | Confident | 60 Ų | 60 | 105.4 Ų | 105.4 | 26% | 0.263 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -101 | 144 | 178.1 | -56.5 | -82.1 | 0 | 0 | 0 | 109.2 | T105 Q111 L112 L115 L139 W147 | T105-F107 HydrophobicContact CG2-CD1 4.04Å; T105-F107 HydrophobicContact CG2-CE1 3.72Å; T105-F107 HydrophobicContact CG2-CE2 4.34Å; T105-F107 HydrophobicContact CG2-CG 4.48Å; T105-F107 HydrophobicContact CG2-CZ 3.9Å; F107-Q111 VanDerWaalsContact CA-OE1 3.27Å; F107-Q111 HydrophobicContact CB-CB 4.33Å; F107-L112 HydrophobicContact CB-CD1 4.45Å; F107-L112 HydrophobicContact CB-CD2 3.75Å; F107-L112 HydrophobicContact CB-CG 3.82Å; F107-L112 HydrophobicContact CD2-CD2 4.23Å; F107-L112 HydrophobicContact CG-CD2 4.13Å; F107-L115 HydrophobicContact CD1-CD1 4.36Å; F107-L115 HydrophobicContact CE1-CD1 4.48Å; F107-L139 HydrophobicContact CD1-CD1 3.94Å; F107-L139 HydrophobicContact CD1-CD2 4.09Å; F107-L139 HydrophobicContact CE1-CD1 3.84Å; F107-L139 HydrophobicContact CE1-CD2 4.01Å; F107-W147 AromaticContact CE2-CD1 3.77Å; F107-W147 HydrophobicContact CZ-CB 4.27Å; F107-W147 AromaticContact CZ-CD1 3.93Å |
| 108 | T | 98.3 | Very high | 89.9 | Confident | 75 Ų | 75 | 102.7 Ų | 102.7 | 46% | 0.46 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 166.1 | 170.8 | 70.4 | 0 | 0 | 0 | 0 | 110.8 | Q111 L112 | T108-Q111 PolarHBondContact O-N 3.41Å; T108-Q111 WeakPolarHBondContact OG1-CB 3.41Å; T108-Q111 VanDerWaalsContact OG1-CG 3.28Å; T108-Q111 WeakPolarHBondContact OG1-CG 3.39Å; T108-Q111 PolarHBondContact OG1-N 2.95Å; T108-L112 WeakPolarHBondContact O-CG 3.32Å; T108-L112 PolarHBondContact O-N 3.37Å; T108-L112 VanDerWaalsContact O-N 3.09Å |
| 109 | G | 98 | Very high | 92.2 | Very high | 44 Ų | 44 | 97.4 Ų | 97.4 | 45% | 0.454 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -56.3 | -53.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q111 L112 E113 | G109-Q111 PolarHBondContact O-N 3.28Å; G109-L112 CarbonylContact O-C 3.58Å; G109-L112 WeakPolarHBondContact O-CA 3.44Å; G109-L112 WeakPolarHBondContact O-CB 3.27Å; G109-L112 PolarHBondContact O-N 2.96Å; G109-E113 WeakPolarHBondContact O-CG 3.19Å; G109-E113 PolarHBondContact O-N 2.9Å |
| 110 | W | 98.1 | Very high | 93.9 | Very high | 124 Ų | 124 | 94.9 Ų | 94.9 | 47% | 0.47 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -56.7 | -41.5 | 176.6 | 179.1 | 72.4 | 0 | 0 | 0 | 114 | L112 E113 E114 R136 L137 | W110-L112 VanDerWaalsContact C-N 3.3Å; W110-L112 PolarHBondContact O-N 2.8Å; W110-E113 PolarHBondContact O-N 3.47Å; W110-E114 PolarHBondContact O-N 2.81Å; W110-E114 VanDerWaalsContact O-N 3.08Å; W110-R136 WeakPolarHBondContact CH2-O 3.4Å; W110-L137 HydrophobicContact CE3-CD2 4.05Å; W110-L137 HydrophobicContact CH2-CD2 3.64Å; W110-L137 HydrophobicContact CZ2-CD2 4.25Å; W110-L137 HydrophobicContact CZ3-CD2 3.51Å |
| 111 | Q | 98.4 | Very high | 95.4 | Very high | 24 Ų | 24 | 90 Ų | 90 | 11% | 0.112 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.3 | -38.7 | 173.8 | -76.3 | 173 | -20.4 | 0 | 0 | 111.8 | F107 T108 G109 L115 L137 | F107-Q111 VanDerWaalsContact CA-OE1 3.27Å; F107-Q111 HydrophobicContact CB-CB 4.33Å; T108-Q111 PolarHBondContact O-N 3.41Å; T108-Q111 WeakPolarHBondContact OG1-CB 3.41Å; T108-Q111 VanDerWaalsContact OG1-CG 3.28Å; T108-Q111 WeakPolarHBondContact OG1-CG 3.39Å; T108-Q111 PolarHBondContact OG1-N 2.95Å; G109-Q111 PolarHBondContact O-N 3.28Å; Q111-L115 WeakPolarHBondContact O-CB 3.3Å; Q111-L115 VanDerWaalsContact O-CD1 3.3Å; Q111-L115 WeakPolarHBondContact O-CD1 3.22Å; Q111-L115 WeakPolarHBondContact O-CG 3.18Å; Q111-L115 PolarHBondContact O-N 2.92Å; Q111-L137 HydrophobicContact CG-CB 4.24Å; Q111-L137 HydrophobicContact CG-CD2 4.33Å; Q111-L137 PolarHBondContact NE2-O 3.48Å |
| 112 | L | 98.5 | Very high | 96.2 | Very high | 61 Ų | 61 | 80.5 Ų | 80.5 | 32% | 0.319 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -70.2 | -37.7 | 175.8 | -66.6 | 172.6 | 0 | 0 | 0 | 111.9 | F107 T108 G109 W110 L115 E116 W147 | F107-L112 HydrophobicContact CB-CD1 4.45Å; F107-L112 HydrophobicContact CB-CD2 3.75Å; F107-L112 HydrophobicContact CB-CG 3.82Å; F107-L112 HydrophobicContact CD2-CD2 4.23Å; F107-L112 HydrophobicContact CG-CD2 4.13Å; T108-L112 WeakPolarHBondContact O-CG 3.32Å; T108-L112 PolarHBondContact O-N 3.37Å; T108-L112 VanDerWaalsContact O-N 3.09Å; G109-L112 CarbonylContact O-C 3.58Å; G109-L112 WeakPolarHBondContact O-CA 3.44Å; G109-L112 WeakPolarHBondContact O-CB 3.27Å; G109-L112 PolarHBondContact O-N 2.96Å; W110-L112 VanDerWaalsContact C-N 3.3Å; W110-L112 PolarHBondContact O-N 2.8Å; L112-L115 PolarHBondContact O-N 2.92Å; L112-E116 WeakPolarHBondContact O-CB 3.44Å; L112-E116 WeakPolarHBondContact O-CG 3.26Å; L112-E116 PolarHBondContact O-N 2.81Å; L112-W147 VanDerWaalsContact CD2-NE1 3.26Å |
| 113 | E | 98.3 | Very high | 97 | Very high | 126 Ų | 126 | 73.2 Ų | 73.2 | 59% | 0.589 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62 | -49.4 | 178.3 | -72.2 | 155.7 | -153.8 | 0 | 0 | 112 | G109 W110 E116 K117 | G109-E113 WeakPolarHBondContact O-CG 3.19Å; G109-E113 PolarHBondContact O-N 2.9Å; W110-E113 PolarHBondContact O-N 3.47Å; E113-E116 PolarHBondContact O-N 3.07Å; E113-K117 WeakPolarHBondContact O-CB 3.38Å; E113-K117 PolarHBondContact O-N 3.11Å |
| 114 | E | 98.4 | Very high | 97.5 | Very high | 20 Ų | 20 | 75.1 Ų | 75.1 | 9% | 0.093 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.7 | -36.9 | 177.7 | -163.1 | 83.5 | -116.2 | 0 | 0 | 111.8 | W110 K117 A118 L133 R136 L137 | W110-E114 PolarHBondContact O-N 2.81Å; W110-E114 VanDerWaalsContact O-N 3.08Å; E114-K117 PolarHBondContact O-N 3.03Å; E114-K117 WeakPolarHBondContact OE1-CD 3.47Å; E114-K117 IonicContact OE1-NZ 3.91Å; E114-K117 PolarHBondContact OE1-NZ 3.17Å; E114-A118 WeakPolarHBondContact O-CB 3.32Å; E114-A118 PolarHBondContact O-N 3.34Å; E114-L133 HydrophobicContact CG-CD2 4.36Å; E114-R136 VanDerWaalsContact CD-NE 3.3Å; E114-R136 IonicContact OE1-NE 2.84Å; E114-R136 IonicContact OE1-NH2 2.68Å; E114-R136 IonicContact OE2-CZ 2.7Å; E114-R136 IonicContact OE2-NE 3.9Å; E114-R136 PolarHBondContact OE2-NE 2.76Å; E114-R136 IonicContact OE2-NH2 3.18Å; E114-R136 PolarHBondContact OE2-NH2 3.46Å; E114-L137 HydrophobicContact CB-CD1 4.5Å; E114-L137 HydrophobicContact CB-CD2 3.99Å; E114-L137 HydrophobicContact CG-CD2 4.3Å |
| 115 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.6 | -37 | 173.7 | -73.1 | 170 | 0 | 0 | 0 | 112.3 | F107 Q111 L112 F119 L137 L139 V144 W147 F148 | F107-L115 HydrophobicContact CD1-CD1 4.36Å; F107-L115 HydrophobicContact CE1-CD1 4.48Å; Q111-L115 WeakPolarHBondContact O-CB 3.3Å; Q111-L115 VanDerWaalsContact O-CD1 3.3Å; Q111-L115 WeakPolarHBondContact O-CD1 3.22Å; Q111-L115 WeakPolarHBondContact O-CG 3.18Å; Q111-L115 PolarHBondContact O-N 2.92Å; L112-L115 PolarHBondContact O-N 2.92Å; L115-F119 VanDerWaalsContact O-CB 3.25Å; L115-F119 WeakPolarHBondContact O-CB 3.21Å; L115-F119 PolarHBondContact O-N 2.89Å; L115-L137 HydrophobicContact CD1-CD1 4.29Å; L115-L137 HydrophobicContact CD2-CD1 3.9Å; L115-L137 HydrophobicContact CG-CD1 3.69Å; L115-L139 HydrophobicContact CD1-CD1 4.41Å; L115-V144 HydrophobicContact CD2-CG1 3.94Å; L115-V144 HydrophobicContact CD2-CG2 4.48Å; L115-W147 VanDerWaalsContact C-CH2 3.49Å; L115-W147 HydrophobicContact CB-CD2 4.06Å; L115-W147 HydrophobicContact CB-CE3 4.06Å; L115-W147 HydrophobicContact CB-CH2 3.74Å; L115-W147 HydrophobicContact CB-CZ2 3.7Å; L115-W147 HydrophobicContact CB-CZ3 3.91Å; L115-W147 HydrophobicContact CD1-CD2 3.97Å; L115-W147 HydrophobicContact CD1-CG 3.93Å; L115-W147 HydrophobicContact CD2-CE3 4.42Å; L115-W147 HydrophobicContact CG-CD2 4.44Å; L115-W147 WeakPolarHBondContact O-CH2 3.43Å; L115-W147 WeakPolarHBondContact O-CZ3 3.34Å; L115-F148 HydrophobicContact CD2-CD2 4.49Å; L115-F148 HydrophobicContact CD2-CE2 3.84Å |
| 116 | E | 98.4 | Very high | 98 | Very high | 75 Ų | 75 | 69 Ų | 69 | 35% | 0.35 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -73.6 | -35.9 | 175 | -71.7 | -160.4 | -167.1 | 0 | 0 | 112.5 | L112 E113 F119 N120 W147 R151 | L112-E116 WeakPolarHBondContact O-CB 3.44Å; L112-E116 WeakPolarHBondContact O-CG 3.26Å; L112-E116 PolarHBondContact O-N 2.81Å; E113-E116 PolarHBondContact O-N 3.07Å; E116-F119 PolarHBondContact O-N 2.88Å; E116-N120 PolarHBondContact O-N 3.27Å; E116-N120 VanDerWaalsContact O-N 3.08Å; E116-N120 PolarHBondContact O-ND2 2.96Å; E116-N120 PolarHBondContact O-OD1 2.87Å; E116-W147 HydrophobicContact CG-CH2 3.75Å; E116-W147 HydrophobicContact CG-CZ2 3.7Å; E116-R151 VanDerWaalsContact CD-NH2 3.32Å; E116-R151 IonicContact OE1-CZ 3.13Å; E116-R151 IonicContact OE1-NH1 2.89Å; E116-R151 PolarHBondContact OE1-NH1 3.44Å; E116-R151 IonicContact OE1-NH2 2.68Å; E116-R151 IonicContact OE2-CZ 2.71Å; E116-R151 IonicContact OE2-NH1 3.87Å; E116-R151 PolarHBondContact OE2-NH1 2.88Å; E116-R151 IonicContact OE2-NH2 3.53Å; E116-R151 PolarHBondContact OE2-NH2 3.25Å |
| 117 | K | 98.3 | Very high | 98 | Very high | 102 Ų | 102 | 65.8 Ų | 65.8 | 44% | 0.443 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.1 | -54.9 | 170.5 | 177.4 | -172 | 145.6 | -150.9 | 0 | 111.2 | E113 E114 F119 N120 E121 | E113-K117 WeakPolarHBondContact O-CB 3.38Å; E113-K117 PolarHBondContact O-N 3.11Å; E114-K117 PolarHBondContact O-N 3.03Å; E114-K117 WeakPolarHBondContact OE1-CD 3.47Å; E114-K117 IonicContact OE1-NZ 3.91Å; E114-K117 PolarHBondContact OE1-NZ 3.17Å; K117-F119 PolarHBondContact O-N 3.48Å; K117-N120 WeakPolarHBondContact O-CB 3.36Å; K117-N120 PolarHBondContact O-N 3.02Å; K117-E121 WeakPolarHBondContact CE-OE1 3.31Å; K117-E121 PolarHBondContact O-N 3.42Å; K117-E121 VanDerWaalsContact O-N 3.12Å |
| 118 | A | 97.9 | Very high | 98.1 | Very high | 5 Ų | 5 | 70.1 Ų | 70.1 | 4% | 0.041 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.3 | -27.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E114 E121 S122 L133 F148 | E114-A118 WeakPolarHBondContact O-CB 3.32Å; E114-A118 PolarHBondContact O-N 3.34Å; A118-E121 PolarHBondContact O-N 3.24Å; A118-S122 PolarHBondContact O-N 3.29Å; A118-L133 HydrophobicContact CB-CD1 3.78Å; A118-L133 HydrophobicContact CB-CD2 3.96Å; A118-L133 HydrophobicContact CB-CG 4.49Å; A118-F148 HydrophobicContact CB-CZ 4.29Å |
| 119 | F | 98.3 | Very high | 98.1 | Very high | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.009 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.4 | -33.2 | 171.5 | -176.7 | -95.5 | 0 | 0 | 0 | 113.3 | L115 E116 K117 E121 S122 H123 W147 F148 R151 R152 W155 | L115-F119 VanDerWaalsContact O-CB 3.25Å; L115-F119 WeakPolarHBondContact O-CB 3.21Å; L115-F119 PolarHBondContact O-N 2.89Å; E116-F119 PolarHBondContact O-N 2.88Å; K117-F119 PolarHBondContact O-N 3.48Å; F119-E121 VanDerWaalsContact C-N 3.35Å; F119-S122 CarbonylContact O-C 3.58Å; F119-S122 VanDerWaalsContact O-C 3.3Å; F119-H123 AromaticContact CD1-CD2 3.71Å; F119-H123 AromaticContact CE1-CD2 3.25Å; F119-H123 WeakPolarHBondContact CE1-CD2 3.38Å; F119-H123 AromaticContact CE1-NE2 3.58Å; F119-H123 HydrophobicContact CE2-CB 4.14Å; F119-H123 AromaticContact CE2-CD2 3.67Å; F119-H123 HydrophobicContact CZ-CB 4.37Å; F119-H123 AromaticContact CZ-CD2 3.22Å; F119-H123 WeakPolarHBondContact CZ-CD2 3.28Å; F119-H123 AromaticContact CZ-CG 3.99Å; F119-H123 AromaticContact CZ-NE2 3.87Å; F119-H123 PolarHBondContact O-CD2 2.92Å; F119-H123 PolarHBondContact O-N 3.08Å; F119-W147 HydrophobicContact CB-CH2 4.23Å; F119-W147 HydrophobicContact CB-CZ3 4.09Å; F119-W147 HydrophobicContact CD2-CZ3 4.36Å; F119-W147 HydrophobicContact CG-CZ3 4.44Å; F119-F148 HydrophobicContact CB-CE1 3.93Å; F119-F148 HydrophobicContact CB-CZ 4.32Å; F119-F148 AromaticContact CD2-CD1 3.76Å; F119-F148 HydrophobicContact CD2-CD1 3.76Å; F119-F148 AromaticContact CD2-CE1 3.76Å; F119-F148 HydrophobicContact CD2-CE1 3.76Å; F119-F148 HydrophobicContact CG-CE1 4.35Å; F119-R151 HydrophobicContact CD1-CG 3.78Å; F119-R151 HydrophobicContact CD2-CB 4.11Å; F119-R151 HydrophobicContact CD2-CG 3.43Å; F119-R151 VanDerWaalsContact CD2-CG 3.43Å; F119-R151 HydrophobicContact CE1-CG 3.72Å; F119-R151 HydrophobicContact CE2-CB 3.96Å; F119-R151 HydrophobicContact CE2-CG 3.38Å; F119-R151 HydrophobicContact CG-CG 3.63Å; F119-R151 HydrophobicContact CZ-CB 4.43Å; F119-R151 HydrophobicContact CZ-CG 3.54Å; F119-R152 HydrophobicContact CE2-CG 3.85Å; F119-R152 HydrophobicContact CZ-CG 4.42Å; F119-W155 AromaticContact CE1-CD1 3.91Å; F119-W155 HydrophobicContact CE1-CG 4.43Å; F119-W155 HydrophobicContact CZ-CB 4.12Å; F119-W155 HydrophobicContact CZ-CG 4.17Å |
| 120 | N | 97.7 | Very high | 98.1 | Very high | 120 Ų | 120 | 69.9 Ų | 69.9 | 64% | 0.642 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -72.3 | -31.1 | 174.3 | -59.1 | -29.3 | 0 | 0 | 0 | 111.5 | E116 K117 | E116-N120 PolarHBondContact O-N 3.27Å; E116-N120 VanDerWaalsContact O-N 3.08Å; E116-N120 PolarHBondContact O-ND2 2.96Å; E116-N120 PolarHBondContact O-OD1 2.87Å; K117-N120 WeakPolarHBondContact O-CB 3.36Å; K117-N120 PolarHBondContact O-N 3.02Å |
| 121 | E | 97.4 | Very high | 98.1 | Very high | 127 Ų | 127 | 68.1 Ų | 68.1 | 59% | 0.593 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -72 | -45.8 | 172.7 | -66.1 | 166.8 | -161.4 | 0 | 0 | 111.6 | K117 A118 F119 | K117-E121 WeakPolarHBondContact CE-OE1 3.31Å; K117-E121 PolarHBondContact O-N 3.42Å; K117-E121 VanDerWaalsContact O-N 3.12Å; A118-E121 PolarHBondContact O-N 3.24Å; F119-E121 VanDerWaalsContact C-N 3.35Å |
| 122 | S | 97.4 | Very high | 98.1 | Very high | 38 Ų | 38 | 69.7 Ų | 69.7 | 27% | 0.266 | 34% | 0.343 | S | S | . | . | trans | -150.1 | 124.2 | 170 | 179.2 | 0 | 0 | 0 | 0 | 113.4 | A118 F119 Y124 | A118-S122 PolarHBondContact O-N 3.29Å; F119-S122 CarbonylContact O-C 3.58Å; F119-S122 VanDerWaalsContact O-C 3.3Å; S122-Y124 PolarHBondContact O-N 2.91Å; S122-Y124 VanDerWaalsContact OG-C 3.3Å; S122-Y124 PolarHBondContact OG-N 3.4Å; S122-Y124 VanDerWaalsContact OG-N 3.12Å; S122-Y124 PolarHBondContact OG-O 3.3Å | ||
| 123 | H | 97.6 | Very high | 98.1 | Very high | 63 Ų | 63 | 67.5 Ų | 67.5 | 29% | 0.292 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -63.5 | -20.4 | 170.5 | -61.9 | 148.2 | 0 | 0 | 0 | 113.6 | F119 R152 W155 | F119-H123 AromaticContact CD1-CD2 3.71Å; F119-H123 AromaticContact CE1-CD2 3.25Å; F119-H123 WeakPolarHBondContact CE1-CD2 3.38Å; F119-H123 AromaticContact CE1-NE2 3.58Å; F119-H123 HydrophobicContact CE2-CB 4.14Å; F119-H123 AromaticContact CE2-CD2 3.67Å; F119-H123 HydrophobicContact CZ-CB 4.37Å; F119-H123 AromaticContact CZ-CD2 3.22Å; F119-H123 WeakPolarHBondContact CZ-CD2 3.28Å; F119-H123 AromaticContact CZ-CG 3.99Å; F119-H123 AromaticContact CZ-NE2 3.87Å; F119-H123 PolarHBondContact O-CD2 2.92Å; F119-H123 PolarHBondContact O-N 3.08Å; H123-R152 VanDerWaalsContact O-CD 3.29Å; H123-R152 WeakPolarHBondContact O-CD 3.4Å; H123-R152 PolarHBondContact O-NH1 3.43Å; H123-W155 AromaticContact CE1-CE2 3.74Å; H123-W155 AromaticContact CE1-CZ2 3.81Å; H123-W155 AromaticContact CE1-NE1 3.65Å; H123-W155 AromaticContact NE2-NE1 3.56Å |
| 124 | Y | 98.1 | Very high | 98.1 | Very high | 160 Ų | 160 | 61.8 Ų | 61.8 | 63% | 0.627 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -130.5 | 76 | -175.7 | -67.4 | -89.9 | 0 | 0 | 0 | 110.4 | S122 R152 | S122-Y124 PolarHBondContact O-N 2.91Å; S122-Y124 VanDerWaalsContact OG-C 3.3Å; S122-Y124 PolarHBondContact OG-N 3.4Å; S122-Y124 VanDerWaalsContact OG-N 3.12Å; S122-Y124 PolarHBondContact OG-O 3.3Å; Y124-R152 VanDerWaalsContact CE1-NE 3.27Å |
| 125 | P | 97.6 | Very high | 98.1 | Very high | 7 Ų | 7 | 67.7 Ų | 67.7 | 5% | 0.045 | 34% | 0.337 | C | S | . | . | trans | -69.1 | 133.7 | 178.5 | 29.3 | -37.4 | 0 | 0 | 0 | 111.7 | M129 R130 F148 | P125-M129 HydrophobicContact CB-CB 4.33Å; P125-M129 HydrophobicContact CB-CE 3.66Å; P125-M129 HydrophobicContact CB-CG 4.34Å; P125-R130 HydrophobicContact CB-CG 3.79Å; P125-R130 HydrophobicContact CG-CG 3.64Å; P125-R130 PolarHBondContact O-NH1 3.16Å; P125-F148 HydrophobicContact CB-CE1 4.44Å; P125-F148 VanDerWaalsContact CD-CE1 3.48Å; P125-F148 HydrophobicContact CG-CD1 3.5Å; P125-F148 HydrophobicContact CG-CD2 4Å; P125-F148 HydrophobicContact CG-CE1 3.51Å; P125-F148 HydrophobicContact CG-CE2 4.02Å; P125-F148 HydrophobicContact CG-CG 3.76Å; P125-F148 HydrophobicContact CG-CZ 3.79Å | ||
| 126 | D | 98.3 | Very high | 98.1 | Very high | 97 Ų | 97 | 74.4 Ų | 74.4 | 52% | 0.519 | 36% | 0.362 | S | S | . | . | trans | -67.2 | 165.1 | 173.4 | -176.5 | 41.4 | 0 | 0 | 0 | 112.4 | F128 M129 R130 | D126-F128 PolarHBondContact O-N 2.9Å; D126-F128 WeakPolarHBondContact OD2-CD2 3.29Å; D126-M129 PolarHBondContact O-N 3.05Å; D126-M129 VanDerWaalsContact O-N 3.11Å; D126-R130 WeakPolarHBondContact O-CG 3.39Å; D126-R130 PolarHBondContact O-N 3Å | ||
| 127 | V | 97.9 | Very high | 98 | Very high | 51 Ų | 51 | 70.9 Ų | 70.9 | 31% | 0.309 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -52.3 | -52.1 | -176.5 | 63.8 | 0 | 0 | 0 | 0 | 112.3 | M129 R130 E131 | V127-M129 VanDerWaalsContact C-N 3.26Å; V127-M129 PolarHBondContact O-N 3.49Å; V127-R130 PolarHBondContact O-N 2.81Å; V127-E131 HydrophobicContact CG2-CG 4.44Å; V127-E131 WeakPolarHBondContact O-CG 3.36Å; V127-E131 PolarHBondContact O-N 2.87Å |
| 128 | F | 98.3 | Very high | 98 | Very high | 151 Ų | 151 | 73.3 Ų | 73.3 | 66% | 0.662 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.3 | -34.2 | -180 | -59.4 | -66.8 | 0 | 0 | 0 | 112.6 | D126 E131 A132 | D126-F128 PolarHBondContact O-N 2.9Å; D126-F128 WeakPolarHBondContact OD2-CD2 3.29Å; F128-E131 PolarHBondContact O-N 2.68Å; F128-A132 WeakPolarHBondContact O-CB 3.35Å; F128-A132 PolarHBondContact O-N 3.07Å |
| 129 | M | 98 | Very high | 98 | Very high | 72 Ų | 72 | 74.3 Ų | 74.3 | 36% | 0.355 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -75 | -33.1 | 176.9 | -169.3 | 155.1 | 73.9 | 0 | 0 | 112.2 | P125 D126 V127 L133 | P125-M129 HydrophobicContact CB-CB 4.33Å; P125-M129 HydrophobicContact CB-CE 3.66Å; P125-M129 HydrophobicContact CB-CG 4.34Å; D126-M129 PolarHBondContact O-N 3.05Å; D126-M129 VanDerWaalsContact O-N 3.11Å; V127-M129 VanDerWaalsContact C-N 3.26Å; V127-M129 PolarHBondContact O-N 3.49Å; M129-L133 WeakPolarHBondContact O-CB 3.44Å; M129-L133 VanDerWaalsContact O-CG 3.27Å; M129-L133 WeakPolarHBondContact O-CG 3.49Å; M129-L133 PolarHBondContact O-N 3.22Å |
| 130 | R | 98.6 | Very high | 98 | Very high | 43 Ų | 43 | 80 Ų | 80 | 16% | 0.162 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -71.1 | -33.7 | 171.9 | -62.8 | -169.5 | -45.2 | -79.1 | -8.2 | 112.1 | P125 D126 V127 A134 E141 V144 | P125-R130 HydrophobicContact CB-CG 3.79Å; P125-R130 HydrophobicContact CG-CG 3.64Å; P125-R130 PolarHBondContact O-NH1 3.16Å; D126-R130 WeakPolarHBondContact O-CG 3.39Å; D126-R130 PolarHBondContact O-N 3Å; V127-R130 PolarHBondContact O-N 2.81Å; R130-A134 WeakPolarHBondContact O-CB 3.4Å; R130-A134 PolarHBondContact O-N 3.12Å; R130-E141 HydrophobicContact CB-CG 4.1Å; R130-E141 IonicContact CZ-OE1 3.16Å; R130-E141 IonicContact NE-OE1 3.84Å; R130-E141 PolarHBondContact NE-OE1 3.4Å; R130-E141 IonicContact NH2-OE1 2.75Å; R130-E141 PolarHBondContact NH2-OE1 3.21Å; R130-V144 HydrophobicContact CB-CG1 4.21Å; R130-V144 HydrophobicContact CG-CG1 4.31Å |
| 131 | E | 98.5 | Very high | 98 | Very high | 86 Ų | 86 | 76.5 Ų | 76.5 | 40% | 0.402 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.1 | -44.2 | 173.2 | -71.2 | 172.7 | 161.2 | 0 | 0 | 111.7 | V127 F128 L133 A134 L135 E141 | V127-E131 HydrophobicContact CG2-CG 4.44Å; V127-E131 WeakPolarHBondContact O-CG 3.36Å; V127-E131 PolarHBondContact O-N 2.87Å; F128-E131 PolarHBondContact O-N 2.68Å; E131-L133 VanDerWaalsContact C-N 3.34Å; E131-L133 PolarHBondContact O-N 2.76Å; E131-A134 WeakPolarHBondContact O-CB 3.3Å; E131-A134 PolarHBondContact O-N 3.41Å; E131-A134 VanDerWaalsContact O-N 3.14Å; E131-L135 WeakPolarHBondContact O-CG 3.12Å; E131-L135 PolarHBondContact O-N 2.84Å; E131-E141 HydrophobicContact CG-CG 4.13Å |
| 132 | A | 98.3 | Very high | 98 | Very high | 58 Ų | 58 | 72.6 Ų | 72.6 | 48% | 0.479 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F128 R136 | F128-A132 WeakPolarHBondContact O-CB 3.35Å; F128-A132 PolarHBondContact O-N 3.07Å; A132-R136 VanDerWaalsContact O-CB 3.26Å; A132-R136 WeakPolarHBondContact O-CB 3.35Å; A132-R136 PolarHBondContact O-N 2.93Å |
| 133 | L | 98.3 | Very high | 98 | Very high | 15 Ų | 15 | 74.1 Ų | 74.1 | 8% | 0.079 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67 | -37.9 | 172.4 | -73.2 | 168.5 | 0 | 0 | 0 | 112.5 | E114 A118 M129 E131 L137 V144 F148 | E114-L133 HydrophobicContact CG-CD2 4.36Å; A118-L133 HydrophobicContact CB-CD1 3.78Å; A118-L133 HydrophobicContact CB-CD2 3.96Å; A118-L133 HydrophobicContact CB-CG 4.49Å; M129-L133 WeakPolarHBondContact O-CB 3.44Å; M129-L133 VanDerWaalsContact O-CG 3.27Å; M129-L133 WeakPolarHBondContact O-CG 3.49Å; M129-L133 PolarHBondContact O-N 3.22Å; E131-L133 VanDerWaalsContact C-N 3.34Å; E131-L133 PolarHBondContact O-N 2.76Å; L133-L137 WeakPolarHBondContact O-CB 3.46Å; L133-L137 WeakPolarHBondContact O-CG 3.28Å; L133-L137 PolarHBondContact O-N 3.39Å; L133-L137 VanDerWaalsContact O-N 3.14Å; L133-V144 HydrophobicContact CB-CG1 4.25Å; L133-V144 HydrophobicContact CD1-CG1 4.39Å; L133-F148 HydrophobicContact CD1-CE2 4.07Å; L133-F148 HydrophobicContact CD1-CZ 4.24Å |
| 134 | A | 98.4 | Very high | 98 | Very high | 6 Ų | 6 | 71.1 Ų | 71.1 | 5% | 0.05 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | R130 E131 L137 D138 L139 E141 V144 | R130-A134 WeakPolarHBondContact O-CB 3.4Å; R130-A134 PolarHBondContact O-N 3.12Å; E131-A134 WeakPolarHBondContact O-CB 3.3Å; E131-A134 PolarHBondContact O-N 3.41Å; E131-A134 VanDerWaalsContact O-N 3.14Å; A134-L137 PolarHBondContact O-N 3.06Å; A134-D138 PolarHBondContact O-N 3.43Å; A134-L139 CarbonylContact C-O 3.54Å; A134-L139 VanDerWaalsContact CB-O 3.3Å; A134-L139 WeakPolarHBondContact CB-O 3.28Å; A134-L139 PolarHBondContact O-N 2.92Å; A134-L139 VanDerWaalsContact O-O 3.14Å; A134-E141 HydrophobicContact CB-CB 4.33Å; A134-V144 HydrophobicContact CB-CG2 4.1Å |
| 135 | L | 98.4 | Very high | 98 | Very high | 144 Ų | 144 | 67 Ų | 67 | 75% | 0.754 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.3 | -44.3 | 175.3 | -68.4 | 170.5 | 0 | 0 | 0 | 112.5 | E131 L137 | E131-L135 WeakPolarHBondContact O-CG 3.12Å; E131-L135 PolarHBondContact O-N 2.84Å; L135-L137 PolarHBondContact O-N 3.17Å |
| 136 | R | 97.9 | Very high | 98.1 | Very high | 141 Ų | 141 | 69.6 Ų | 69.6 | 53% | 0.532 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.2 | -25.9 | 179.1 | -179.6 | 177 | 175.3 | 94.3 | -4.3 | 113.2 | W110 E114 A132 | W110-R136 WeakPolarHBondContact CH2-O 3.4Å; E114-R136 VanDerWaalsContact CD-NE 3.3Å; E114-R136 IonicContact OE1-NE 2.84Å; E114-R136 IonicContact OE1-NH2 2.68Å; E114-R136 IonicContact OE2-CZ 2.7Å; E114-R136 IonicContact OE2-NE 3.9Å; E114-R136 PolarHBondContact OE2-NE 2.76Å; E114-R136 IonicContact OE2-NH2 3.18Å; E114-R136 PolarHBondContact OE2-NH2 3.46Å; A132-R136 VanDerWaalsContact O-CB 3.26Å; A132-R136 WeakPolarHBondContact O-CB 3.35Å; A132-R136 PolarHBondContact O-N 2.93Å |
| 137 | L | 97.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 4.4 | -169.2 | -62.5 | -177.9 | 0 | 0 | 0 | 114.3 | W110 Q111 E114 L115 L133 A134 L135 L139 | W110-L137 HydrophobicContact CE3-CD2 4.05Å; W110-L137 HydrophobicContact CH2-CD2 3.64Å; W110-L137 HydrophobicContact CZ2-CD2 4.25Å; W110-L137 HydrophobicContact CZ3-CD2 3.51Å; Q111-L137 HydrophobicContact CG-CB 4.24Å; Q111-L137 HydrophobicContact CG-CD2 4.33Å; Q111-L137 PolarHBondContact NE2-O 3.48Å; E114-L137 HydrophobicContact CB-CD1 4.5Å; E114-L137 HydrophobicContact CB-CD2 3.99Å; E114-L137 HydrophobicContact CG-CD2 4.3Å; L115-L137 HydrophobicContact CD1-CD1 4.29Å; L115-L137 HydrophobicContact CD2-CD1 3.9Å; L115-L137 HydrophobicContact CG-CD1 3.69Å; L133-L137 WeakPolarHBondContact O-CB 3.46Å; L133-L137 WeakPolarHBondContact O-CG 3.28Å; L133-L137 PolarHBondContact O-N 3.39Å; L133-L137 VanDerWaalsContact O-N 3.14Å; A134-L137 PolarHBondContact O-N 3.06Å; L135-L137 PolarHBondContact O-N 3.17Å; L137-L139 VanDerWaalsContact C-N 3.32Å; L137-L139 HydrophobicContact CB-CD1 3.82Å; L137-L139 HydrophobicContact CB-CG 4.03Å; L137-L139 HydrophobicContact CD1-CD1 4.2Å; L137-L139 PolarHBondContact O-N 3.03Å |
| 138 | D | 98.1 | Very high | 98.1 | Very high | 154 Ų | 154 | 63.8 Ų | 63.8 | 82% | 0.824 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 47 | -171.4 | -63.7 | -49.1 | 0 | 0 | 0 | 112.8 | A134 | A134-D138 PolarHBondContact O-N 3.43Š|
| 139 | L | 97.3 | Very high | 98.1 | Very high | 26 Ų | 26 | 61 Ų | 61 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | trans | -121.9 | 155.1 | 179.8 | -66.5 | 173.5 | 0 | 0 | 0 | 111 | T105 F107 L115 A134 L137 V144 | T105-L139 HydrophobicContact CG2-CD2 4.15Å; F107-L139 HydrophobicContact CD1-CD1 3.94Å; F107-L139 HydrophobicContact CD1-CD2 4.09Å; F107-L139 HydrophobicContact CE1-CD1 3.84Å; F107-L139 HydrophobicContact CE1-CD2 4.01Å; L115-L139 HydrophobicContact CD1-CD1 4.41Å; A134-L139 CarbonylContact C-O 3.54Å; A134-L139 VanDerWaalsContact CB-O 3.3Å; A134-L139 WeakPolarHBondContact CB-O 3.28Å; A134-L139 PolarHBondContact O-N 2.92Å; A134-L139 VanDerWaalsContact O-O 3.14Å; L137-L139 VanDerWaalsContact C-N 3.32Å; L137-L139 HydrophobicContact CB-CD1 3.82Å; L137-L139 HydrophobicContact CB-CG 4.03Å; L137-L139 HydrophobicContact CD1-CD1 4.2Å; L137-L139 PolarHBondContact O-N 3.03Å; L139-V144 HydrophobicContact CB-CG2 4.26Å; L139-V144 HydrophobicContact CD1-CG2 4.27Å | ||
| 140 | I | 97.5 | Very high | 98.1 | Very high | 122 Ų | 122 | 62 Ų | 62 | 63% | 0.626 | 31% | 0.314 | S | S | * | . | trans | -78.9 | 137.5 | 166.3 | -58.7 | 167.8 | 0 | 0 | 0 | 108.3 | S142 R143 V144 | I140-S142 PolarHBondContact O-N 2.9Å; I140-S142 VanDerWaalsContact O-N 3.09Å; I140-R143 HydrophobicContact CB-CG 4.29Å; I140-R143 WeakPolarHBondContact O-CA 3.46Å; I140-R143 WeakPolarHBondContact O-CB 3.22Å; I140-R143 PolarHBondContact O-N 2.79Å; I140-V144 PolarHBondContact O-N 3.1Å | ||
| 141 | E | 97.9 | Very high | 98 | Very high | 45 Ų | 45 | 62.9 Ų | 62.9 | 21% | 0.21 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -43.8 | -46.8 | 178.3 | -175.8 | -77.7 | 162.5 | 0 | 0 | 112.4 | R130 E131 A134 R143 V144 Q145 | R130-E141 HydrophobicContact CB-CG 4.1Å; R130-E141 IonicContact CZ-OE1 3.16Å; R130-E141 IonicContact NE-OE1 3.84Å; R130-E141 PolarHBondContact NE-OE1 3.4Å; R130-E141 IonicContact NH2-OE1 2.75Å; R130-E141 PolarHBondContact NH2-OE1 3.21Å; E131-E141 HydrophobicContact CG-CG 4.13Å; A134-E141 HydrophobicContact CB-CB 4.33Å; E141-R143 PolarHBondContact O-N 3.11Å; E141-V144 CarbonylContact O-C 3.3Å; E141-V144 WeakPolarHBondContact O-CA 3.25Å; E141-V144 WeakPolarHBondContact O-CB 3.41Å; E141-V144 PolarHBondContact O-N 3.3Å; E141-Q145 PolarHBondContact O-N 3.43Å |
| 142 | S | 97.5 | Very high | 98 | Very high | 45 Ų | 45 | 61.1 Ų | 61.1 | 32% | 0.315 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.1 | -26.4 | -179 | -180 | 0 | 0 | 0 | 0 | 113.2 | I140 V146 | I140-S142 PolarHBondContact O-N 2.9Å; I140-S142 VanDerWaalsContact O-N 3.09Å; S142-V146 VanDerWaalsContact O-CB 3.32Å; S142-V146 WeakPolarHBondContact O-CB 3.43Å; S142-V146 WeakPolarHBondContact O-CG2 3.09Å; S142-V146 PolarHBondContact O-N 3.28Å |
| 143 | R | 97.8 | Very high | 97.8 | Very high | 71 Ų | 71 | 60.3 Ų | 60.3 | 27% | 0.268 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -76.7 | -36.2 | 174 | -54.4 | -57.8 | 174.1 | 129.7 | -8 | 111.7 | T103 T105 I140 E141 W147 | T103-R143 PolarHBondContact O-NH1 2.92Å; T105-R143 VanDerWaalsContact OG1-CD 3.31Å; T105-R143 WeakPolarHBondContact OG1-CD 3.25Å; T105-R143 PolarHBondContact OG1-NH1 3.48Å; I140-R143 HydrophobicContact CB-CG 4.29Å; I140-R143 WeakPolarHBondContact O-CA 3.46Å; I140-R143 WeakPolarHBondContact O-CB 3.22Å; I140-R143 PolarHBondContact O-N 2.79Å; E141-R143 PolarHBondContact O-N 3.11Å; R143-W147 VanDerWaalsContact O-CB 3.28Å; R143-W147 WeakPolarHBondContact O-CB 3.39Å; R143-W147 PolarHBondContact O-N 3.44Å |
| 144 | V | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.9 | -49.9 | 169 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | L115 R130 L133 A134 L139 I140 E141 V146 W147 F148 | L115-V144 HydrophobicContact CD2-CG1 3.94Å; L115-V144 HydrophobicContact CD2-CG2 4.48Å; R130-V144 HydrophobicContact CB-CG1 4.21Å; R130-V144 HydrophobicContact CG-CG1 4.31Å; L133-V144 HydrophobicContact CB-CG1 4.25Å; L133-V144 HydrophobicContact CD1-CG1 4.39Å; A134-V144 HydrophobicContact CB-CG2 4.1Å; L139-V144 HydrophobicContact CB-CG2 4.26Å; L139-V144 HydrophobicContact CD1-CG2 4.27Å; I140-V144 PolarHBondContact O-N 3.1Å; E141-V144 CarbonylContact O-C 3.3Å; E141-V144 WeakPolarHBondContact O-CA 3.25Å; E141-V144 WeakPolarHBondContact O-CB 3.41Å; E141-V144 PolarHBondContact O-N 3.3Å; V144-V146 PolarHBondContact O-N 3.43Å; V144-W147 WeakPolarHBondContact O-CB 3.42Å; V144-W147 PolarHBondContact O-N 2.71Å; V144-W147 VanDerWaalsContact O-N 3.11Å; V144-F148 HydrophobicContact CG1-CD2 3.76Å; V144-F148 HydrophobicContact CG1-CE2 3.83Å; V144-F148 WeakPolarHBondContact O-CD2 3.39Å; V144-F148 PolarHBondContact O-N 3.15Å |
| 145 | Q | 98.2 | Very high | 97.4 | Very high | 72 Ų | 72 | 71.9 Ų | 71.9 | 34% | 0.336 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -53.4 | -50 | 176.8 | -164.9 | -153 | 37.6 | 0 | 0 | 112.1 | E141 F148 Q149 | E141-Q145 PolarHBondContact O-N 3.43Å; Q145-F148 PolarHBondContact O-N 3.15Å; Q145-Q149 WeakPolarHBondContact O-CG 3.38Å; Q145-Q149 PolarHBondContact O-N 3.22Å |
| 146 | V | 98.1 | Very high | 97.1 | Very high | 62 Ų | 62 | 71.2 Ų | 71.2 | 38% | 0.376 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68 | -35.5 | 177.3 | 168.6 | 0 | 0 | 0 | 0 | 112 | S142 V144 Q149 N150 | S142-V146 VanDerWaalsContact O-CB 3.32Å; S142-V146 WeakPolarHBondContact O-CB 3.43Å; S142-V146 WeakPolarHBondContact O-CG2 3.09Å; S142-V146 PolarHBondContact O-N 3.28Å; V144-V146 PolarHBondContact O-N 3.43Å; V146-Q149 PolarHBondContact O-N 3.36Å; V146-N150 WeakPolarHBondContact CG1-ND2 3.43Å; V146-N150 PolarHBondContact O-N 2.91Å; V146-N150 PolarHBondContact O-ND2 3.12Å |
| 147 | W | 98.2 | Very high | 96.5 | Very high | 25 Ų | 25 | 70.2 Ų | 70.2 | 10% | 0.095 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.4 | -48.2 | 173.4 | -174.8 | 105.9 | 0 | 0 | 0 | 110.9 | F107 L112 L115 E116 F119 R143 V144 Q149 N150 R151 | F107-W147 AromaticContact CE2-CD1 3.77Å; F107-W147 HydrophobicContact CZ-CB 4.27Å; F107-W147 AromaticContact CZ-CD1 3.93Å; L112-W147 VanDerWaalsContact CD2-NE1 3.26Å; L115-W147 VanDerWaalsContact C-CH2 3.49Å; L115-W147 HydrophobicContact CB-CD2 4.06Å; L115-W147 HydrophobicContact CB-CE3 4.06Å; L115-W147 HydrophobicContact CB-CH2 3.74Å; L115-W147 HydrophobicContact CB-CZ2 3.7Å; L115-W147 HydrophobicContact CB-CZ3 3.91Å; L115-W147 HydrophobicContact CD1-CD2 3.97Å; L115-W147 HydrophobicContact CD1-CG 3.93Å; L115-W147 HydrophobicContact CD2-CE3 4.42Å; L115-W147 HydrophobicContact CG-CD2 4.44Å; L115-W147 WeakPolarHBondContact O-CH2 3.43Å; L115-W147 WeakPolarHBondContact O-CZ3 3.34Å; E116-W147 HydrophobicContact CG-CH2 3.75Å; E116-W147 HydrophobicContact CG-CZ2 3.7Å; F119-W147 HydrophobicContact CB-CH2 4.23Å; F119-W147 HydrophobicContact CB-CZ3 4.09Å; F119-W147 HydrophobicContact CD2-CZ3 4.36Å; F119-W147 HydrophobicContact CG-CZ3 4.44Å; R143-W147 VanDerWaalsContact O-CB 3.28Å; R143-W147 WeakPolarHBondContact O-CB 3.39Å; R143-W147 PolarHBondContact O-N 3.44Å; V144-W147 WeakPolarHBondContact O-CB 3.42Å; V144-W147 PolarHBondContact O-N 2.71Å; V144-W147 VanDerWaalsContact O-N 3.11Å; W147-Q149 PolarHBondContact O-N 3.01Å; W147-N150 PolarHBondContact O-N 3.43Å; W147-N150 VanDerWaalsContact O-N 3.17Å; W147-R151 HydrophobicContact CE3-CB 4.01Å; W147-R151 HydrophobicContact CH2-CB 4.04Å; W147-R151 HydrophobicContact CH2-CG 3.72Å; W147-R151 HydrophobicContact CZ2-CG 4.47Å; W147-R151 HydrophobicContact CZ3-CB 3.74Å; W147-R151 HydrophobicContact CZ3-CG 3.77Å; W147-R151 WeakPolarHBondContact O-CB 3.47Å; W147-R151 PolarHBondContact O-N 3.19Å |
| 148 | F | 98.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 78.2 Ų | 78.2 | 0% | 0.004 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 178.8 | -90.9 | -93.1 | 0 | 0 | 0 | 112.6 | L115 A118 F119 P125 L133 V144 Q145 R151 R152 | L115-F148 HydrophobicContact CD2-CD2 4.49Å; L115-F148 HydrophobicContact CD2-CE2 3.84Å; A118-F148 HydrophobicContact CB-CZ 4.29Å; F119-F148 HydrophobicContact CB-CE1 3.93Å; F119-F148 HydrophobicContact CB-CZ 4.32Å; F119-F148 AromaticContact CD2-CD1 3.76Å; F119-F148 HydrophobicContact CD2-CD1 3.76Å; F119-F148 AromaticContact CD2-CE1 3.76Å; F119-F148 HydrophobicContact CD2-CE1 3.76Å; F119-F148 HydrophobicContact CG-CE1 4.35Å; P125-F148 HydrophobicContact CB-CE1 4.44Å; P125-F148 VanDerWaalsContact CD-CE1 3.48Å; P125-F148 HydrophobicContact CG-CD1 3.5Å; P125-F148 HydrophobicContact CG-CD2 4Å; P125-F148 HydrophobicContact CG-CE1 3.51Å; P125-F148 HydrophobicContact CG-CE2 4.02Å; P125-F148 HydrophobicContact CG-CG 3.76Å; P125-F148 HydrophobicContact CG-CZ 3.79Å; L133-F148 HydrophobicContact CD1-CE2 4.07Å; L133-F148 HydrophobicContact CD1-CZ 4.24Å; V144-F148 HydrophobicContact CG1-CD2 3.76Å; V144-F148 HydrophobicContact CG1-CE2 3.83Å; V144-F148 WeakPolarHBondContact O-CD2 3.39Å; V144-F148 PolarHBondContact O-N 3.15Å; Q145-F148 PolarHBondContact O-N 3.15Å; F148-R151 PolarHBondContact O-N 2.95Å; F148-R152 WeakPolarHBondContact O-CB 3.32Å; F148-R152 WeakPolarHBondContact O-CG 3.33Å; F148-R152 PolarHBondContact O-N 3.08Å |
| 149 | Q | 98.1 | Very high | 94.5 | Very high | 92 Ų | 92 | 75 Ų | 75 | 43% | 0.43 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.3 | -47.8 | 171.8 | -71.6 | 174.8 | 33.5 | 0 | 0 | 111.8 | Q145 V146 W147 R152 A153 | Q145-Q149 WeakPolarHBondContact O-CG 3.38Å; Q145-Q149 PolarHBondContact O-N 3.22Å; V146-Q149 PolarHBondContact O-N 3.36Å; W147-Q149 PolarHBondContact O-N 3.01Å; Q149-R152 PolarHBondContact O-N 3.39Å; Q149-A153 WeakPolarHBondContact O-CB 3.39Å; Q149-A153 PolarHBondContact O-N 3.19Å |
| 150 | N | 97.7 | Very high | 92.8 | Very high | 95 Ų | 95 | 79.1 Ų | 79.1 | 51% | 0.508 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.5 | -38.1 | 178.1 | -79.5 | -70.1 | 0 | 0 | 0 | 112.5 | V146 W147 A153 K154 | V146-N150 WeakPolarHBondContact CG1-ND2 3.43Å; V146-N150 PolarHBondContact O-N 2.91Å; V146-N150 PolarHBondContact O-ND2 3.12Å; W147-N150 PolarHBondContact O-N 3.43Å; W147-N150 VanDerWaalsContact O-N 3.17Å; N150-A153 PolarHBondContact O-N 2.9Å; N150-K154 PolarHBondContact O-N 2.87Å |
| 151 | R | 97.8 | Very high | 91 | Very high | 60 Ų | 60 | 77 Ų | 77 | 23% | 0.226 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.4 | -47.4 | 175.7 | -174.5 | 68.2 | 177.9 | -165.7 | -6.8 | 111 | E116 F119 W147 F148 A153 K154 W155 | E116-R151 VanDerWaalsContact CD-NH2 3.32Å; E116-R151 IonicContact OE1-CZ 3.13Å; E116-R151 IonicContact OE1-NH1 2.89Å; E116-R151 PolarHBondContact OE1-NH1 3.44Å; E116-R151 IonicContact OE1-NH2 2.68Å; E116-R151 IonicContact OE2-CZ 2.71Å; E116-R151 IonicContact OE2-NH1 3.87Å; E116-R151 PolarHBondContact OE2-NH1 2.88Å; E116-R151 IonicContact OE2-NH2 3.53Å; E116-R151 PolarHBondContact OE2-NH2 3.25Å; F119-R151 HydrophobicContact CD1-CG 3.78Å; F119-R151 HydrophobicContact CD2-CB 4.11Å; F119-R151 HydrophobicContact CD2-CG 3.43Å; F119-R151 VanDerWaalsContact CD2-CG 3.43Å; F119-R151 HydrophobicContact CE1-CG 3.72Å; F119-R151 HydrophobicContact CE2-CB 3.96Å; F119-R151 HydrophobicContact CE2-CG 3.38Å; F119-R151 HydrophobicContact CG-CG 3.63Å; F119-R151 HydrophobicContact CZ-CB 4.43Å; F119-R151 HydrophobicContact CZ-CG 3.54Å; W147-R151 HydrophobicContact CE3-CB 4.01Å; W147-R151 HydrophobicContact CH2-CB 4.04Å; W147-R151 HydrophobicContact CH2-CG 3.72Å; W147-R151 HydrophobicContact CZ2-CG 4.47Å; W147-R151 HydrophobicContact CZ3-CB 3.74Å; W147-R151 HydrophobicContact CZ3-CG 3.77Å; W147-R151 WeakPolarHBondContact O-CB 3.47Å; W147-R151 PolarHBondContact O-N 3.19Å; F148-R151 PolarHBondContact O-N 2.95Å; R151-A153 VanDerWaalsContact C-N 3.32Å; R151-A153 PolarHBondContact O-N 3.38Å; R151-K154 PolarHBondContact O-N 3.08Å; R151-W155 WeakPolarHBondContact O-CB 3.48Å; R151-W155 PolarHBondContact O-N 3.3Å |
| 152 | R | 97.4 | Very high | 89.1 | Confident | 49 Ų | 49 | 83.7 Ų | 83.7 | 19% | 0.185 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.2 | -37.3 | 172.9 | -73.6 | -164.4 | -65.6 | -89.5 | 5.6 | 113 | F119 H123 Y124 F148 Q149 W155 R156 | F119-R152 HydrophobicContact CE2-CG 3.85Å; F119-R152 HydrophobicContact CZ-CG 4.42Å; H123-R152 VanDerWaalsContact O-CD 3.29Å; H123-R152 WeakPolarHBondContact O-CD 3.4Å; H123-R152 PolarHBondContact O-NH1 3.43Å; Y124-R152 VanDerWaalsContact CE1-NE 3.27Å; F148-R152 WeakPolarHBondContact O-CB 3.32Å; F148-R152 WeakPolarHBondContact O-CG 3.33Å; F148-R152 PolarHBondContact O-N 3.08Å; Q149-R152 PolarHBondContact O-N 3.39Å; R152-W155 PolarHBondContact O-N 2.83Å; R152-R156 PolarHBondContact O-N 3.34Å |
| 153 | A | 95.5 | Very high | 86.9 | Confident | 42 Ų | 42 | 89.4 Ų | 89.4 | 35% | 0.347 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q149 N150 R151 K157 | Q149-A153 WeakPolarHBondContact O-CB 3.39Å; Q149-A153 PolarHBondContact O-N 3.19Å; N150-A153 PolarHBondContact O-N 2.9Å; R151-A153 VanDerWaalsContact C-N 3.32Å; R151-A153 PolarHBondContact O-N 3.38Å; A153-K157 WeakPolarHBondContact O-CB 3.47Å; A153-K157 PolarHBondContact O-N 3.36Å |
| 154 | K | 93.6 | Very high | 84.5 | Confident | 152 Ų | 152 | 89.1 Ų | 89.1 | 66% | 0.661 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64 | -43.1 | 171.7 | -72.5 | 179.7 | 176.7 | -177.9 | 0 | 112.2 | N150 R151 K157 K158 | N150-K154 PolarHBondContact O-N 2.87Å; R151-K154 PolarHBondContact O-N 3.08Å; K154-K157 PolarHBondContact O-N 2.97Å; K154-K158 PolarHBondContact O-N 3.24Å |
| 155 | W | 93.1 | Very high | 82.4 | Confident | 112 Ų | 112 | 96.2 Ų | 96.2 | 42% | 0.424 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.6 | -53.4 | -179.6 | -176.4 | 95 | 0 | 0 | 0 | 111.4 | F119 H123 R151 R152 K157 K158 E159 | F119-W155 AromaticContact CE1-CD1 3.91Å; F119-W155 HydrophobicContact CE1-CG 4.43Å; F119-W155 HydrophobicContact CZ-CB 4.12Å; F119-W155 HydrophobicContact CZ-CG 4.17Å; H123-W155 AromaticContact CE1-CE2 3.74Å; H123-W155 AromaticContact CE1-CZ2 3.81Å; H123-W155 AromaticContact CE1-NE1 3.65Å; H123-W155 AromaticContact NE2-NE1 3.56Å; R151-W155 WeakPolarHBondContact O-CB 3.48Å; R151-W155 PolarHBondContact O-N 3.3Å; R152-W155 PolarHBondContact O-N 2.83Å; W155-K157 VanDerWaalsContact C-N 3.31Å; W155-K157 PolarHBondContact O-N 2.97Å; W155-K158 WeakPolarHBondContact O-CB 3.42Å; W155-K158 PolarHBondContact O-N 3.09Å; W155-E159 WeakPolarHBondContact CH2-OE2 3.44Å; W155-E159 WeakPolarHBondContact CZ3-OE2 3.43Å; W155-E159 PolarHBondContact O-N 3.4Å; W155-E159 VanDerWaalsContact O-N 3.09Å |
| 156 | R | 92.6 | Very high | 80.1 | Confident | 130 Ų | 130 | 95.9 Ų | 95.9 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56.7 | -43.8 | 175 | -72.3 | -174.2 | -72.7 | 108.3 | -5.8 | 111.7 | R152 K158 E159 N160 | R152-R156 PolarHBondContact O-N 3.34Å; R156-K158 VanDerWaalsContact C-N 3.26Å; R156-K158 PolarHBondContact O-N 3.19Å; R156-E159 PolarHBondContact O-N 3.39Å; R156-E159 VanDerWaalsContact O-N 3.16Å; R156-N160 WeakPolarHBondContact O-CB 3.48Å; R156-N160 PolarHBondContact O-N 3.04Å; R156-N160 PolarHBondContact O-OD1 2.74Å |
| 157 | K | 85.5 | Confident | 77.9 | Confident | 119 Ų | 119 | 104.5 Ų | 104.5 | 52% | 0.517 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.1 | -33.5 | 177.3 | -170.2 | 171.1 | -177.2 | 174 | 0 | 113.2 | A153 K154 W155 T161 | A153-K157 WeakPolarHBondContact O-CB 3.47Å; A153-K157 PolarHBondContact O-N 3.36Å; K154-K157 PolarHBondContact O-N 2.97Å; W155-K157 VanDerWaalsContact C-N 3.31Å; W155-K157 PolarHBondContact O-N 2.97Å; K157-T161 WeakPolarHBondContact O-CG2 3.46Å; K157-T161 PolarHBondContact O-N 2.98Å; K157-T161 PolarHBondContact O-OG1 2.99Å; K157-T161 VanDerWaalsContact O-OG1 3.06Å |
| 158 | K | 81.5 | Confident | 75.6 | Confident | 168 Ų | 168 | 108.4 Ų | 108.4 | 73% | 0.73 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -74.9 | -34 | 176.4 | -174.3 | -179.6 | 177.6 | -176.5 | 0 | 112.7 | K154 W155 R156 T161 | K154-K158 PolarHBondContact O-N 3.24Å; W155-K158 WeakPolarHBondContact O-CB 3.42Å; W155-K158 PolarHBondContact O-N 3.09Å; R156-K158 VanDerWaalsContact C-N 3.26Å; R156-K158 PolarHBondContact O-N 3.19Å; K158-T161 PolarHBondContact O-OG1 3.36Å |
| 159 | E | 71.4 | Confident | 73.3 | Confident | 88 Ų | 88 | 109.9 Ų | 109.9 | 41% | 0.411 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -72.7 | -52.5 | 175.3 | -172 | -177.4 | -172.6 | 0 | 0 | 111.4 | W155 R156 T161 K162 | W155-E159 WeakPolarHBondContact CH2-OE2 3.44Å; W155-E159 WeakPolarHBondContact CZ3-OE2 3.43Å; W155-E159 PolarHBondContact O-N 3.4Å; W155-E159 VanDerWaalsContact O-N 3.09Å; R156-E159 PolarHBondContact O-N 3.39Å; R156-E159 VanDerWaalsContact O-N 3.16Å; E159-T161 PolarHBondContact O-N 2.82Å; E159-T161 VanDerWaalsContact O-N 3.12Å; E159-K162 PolarHBondContact O-N 3.03Å |
| 160 | N | 62.8 | Low | 71 | Confident | 112 Ų | 112 | 113.5 Ų | 113.5 | 60% | 0.599 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -59.5 | -26.9 | -177.6 | -75.4 | 99.4 | 0 | 0 | 0 | 113.2 | R156 K162 K163 | R156-N160 WeakPolarHBondContact O-CB 3.48Å; R156-N160 PolarHBondContact O-N 3.04Å; R156-N160 PolarHBondContact O-OD1 2.74Å; N160-K162 PolarHBondContact O-N 3.09Å; N160-K163 PolarHBondContact O-N 3.32Å |
| 161 | T | 58.9 | Low | 68.9 | Low | 78 Ų | 78 | 116.1 Ų | 116.1 | 48% | 0.479 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.4 | -8.3 | 173.7 | 40.1 | 0 | 0 | 0 | 0 | 115.3 | K157 K158 E159 A169 | K157-T161 WeakPolarHBondContact O-CG2 3.46Å; K157-T161 PolarHBondContact O-N 2.98Å; K157-T161 PolarHBondContact O-OG1 2.99Å; K157-T161 VanDerWaalsContact O-OG1 3.06Å; K158-T161 PolarHBondContact O-OG1 3.36Å; E159-T161 PolarHBondContact O-N 2.82Å; E159-T161 VanDerWaalsContact O-N 3.12Å; T161-A169 HydrophobicContact CG2-CB 3.6Å |
| 162 | K | 59.3 | Low | 67 | Low | 184 Ų | 184 | 116.9 Ų | 116.9 | 80% | 0.8 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -4.1 | 176.5 | -72.3 | -166.3 | 170.6 | -166 | 0 | 114.7 | E159 N160 | E159-K162 PolarHBondContact O-N 3.03Å; N160-K162 PolarHBondContact O-N 3.09Å |
| 163 | K | 50.9 | Low | 64.8 | Low | 165 Ų | 165 | 119.7 Ų | 119.7 | 72% | 0.717 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -133.3 | 79.8 | -171.8 | -68.7 | -177.8 | 178.9 | 170.5 | 0 | 112.8 | N160 | N160-K163 PolarHBondContact O-N 3.32Š|
| 164 | G | 48 | Very low | 62.8 | Low | 66 Ų | 66 | 119.7 Ų | 119.7 | 68% | 0.68 | 62% | 0.62 | S | S | * | * | trans | 87.8 | 158.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | G166 | G164-G166 PolarHBondContact O-N 2.68Š| ||
| 165 | P | 52.3 | Low | 61 | Low | 148 Ų | 148 | 116.8 Ų | 116.8 | 96% | 0.961 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -82.5 | 108.4 | -177.3 | 31.9 | -33.1 | 0 | 0 | 0 | 111.9 | ||
| 166 | G | 50.6 | Low | 59.2 | Low | 66 Ų | 66 | 113.5 Ų | 113.5 | 68% | 0.68 | 61% | 0.607 | S | S | * | * | trans | -144.8 | 10.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | G164 | G164-G166 PolarHBondContact O-N 2.68Š| ||
| 167 | R | 52.1 | Low | 57.1 | Low | 242 Ų | 242 | 114.4 Ų | 114.4 | 91% | 0.913 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 64.8 | 162.8 | -174.6 | -53.6 | 177.2 | 171.8 | -97.6 | -3.7 | 114.4 | ||
| 168 | P | 50.2 | Low | 55.8 | Low | 107 Ų | 107 | 112.5 Ų | 112.5 | 70% | 0.695 | 63% | 0.634 | S | S | * | * | -124.8 | 110.5 | -54.3 | 33.3 | -20.5 | 0 | 0 | 0 | 112.1 | H170 | P168-H170 VanDerWaalsContact C-N 3.33Å; P168-H170 PolarHBondContact O-N 2.89Å; P168-H170 VanDerWaalsContact O-N 3.13Å | |||
| 169 | A | 49.8 | Very low | 54.8 | Low | 33 Ų | 33 | 107.3 Ų | 107.3 | 27% | 0.273 | 63% | 0.627 | S | S | . | * | trans | -83.2 | 76.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | T161 N171 A172 | T161-A169 HydrophobicContact CG2-CB 3.6Å; A169-N171 PolarHBondContact O-N 2.7Å; A169-A172 HydrophobicContact CB-CB 4.34Å; A169-A172 PolarHBondContact O-N 2.94Å | ||
| 170 | H | 50.4 | Low | 54.5 | Low | 167 Ų | 167 | 108.9 Ų | 108.9 | 77% | 0.773 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | 12.4 | -176.6 | -169.3 | -76.3 | 0 | 0 | 0 | 116.5 | P168 | P168-H170 VanDerWaalsContact C-N 3.33Å; P168-H170 PolarHBondContact O-N 2.89Å; P168-H170 VanDerWaalsContact O-N 3.13Å |
| 171 | N | 52.9 | Low | 54.6 | Low | 151 Ų | 151 | 108.8 Ų | 108.8 | 81% | 0.807 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.2 | 9.9 | -176.7 | -90.3 | -103.3 | 0 | 0 | 0 | 113.5 | A169 | A169-N171 PolarHBondContact O-N 2.7Š|
| 172 | A | 58.4 | Low | 54.9 | Low | 76 Ų | 76 | 106.5 Ų | 106.5 | 63% | 0.628 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -95.1 | -38.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A169 | A169-A172 HydrophobicContact CB-CB 4.34Å; A169-A172 PolarHBondContact O-N 2.94Å |
| 173 | H | 51.5 | Low | 55.8 | Low | 107 Ų | 107 | 102.3 Ų | 102.3 | 50% | 0.495 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -153.6 | 147.7 | -179.7 | -157.3 | -95.7 | 0 | 0 | 0 | 108.3 | T175 I187 | H173-T175 PolarHBondContact O-N 3.29Å; H173-I187 VanDerWaalsContact CE1-CD1 3.5Å; H173-I187 WeakPolarHBondContact CE1-CD1 3.49Å |
| 174 | P | 52.7 | Low | 57 | Low | 43 Ų | 43 | 99.2 Ų | 99.2 | 28% | 0.279 | 61% | 0.607 | S | S | . | * | trans | -68.3 | 126.5 | 161.4 | 32.2 | -34.1 | 0 | 0 | 0 | 108.3 | M182 I187 | P174-M182 VanDerWaalsContact C-CG 3.47Å; P174-M182 HydrophobicContact CB-CG 3.98Å; P174-M182 HydrophobicContact CG-CG 4.26Å; P174-M182 WeakPolarHBondContact O-CG 3.42Å; P174-I187 HydrophobicContact CG-CG1 4.2Å | ||
| 175 | T | 55.5 | Low | 58.5 | Low | 91 Ų | 91 | 103.5 Ų | 103.5 | 56% | 0.558 | 61% | 0.61 | S | S | * | * | B | Isolated β-bridge | trans | -119.9 | 149.4 | 171.2 | 57.3 | 0 | 0 | 0 | 0 | 108.3 | H173 | H173-T175 PolarHBondContact O-N 3.29Å |
| 176 | T | 55.1 | Low | 59.8 | Low | 43 Ų | 43 | 99.8 Ų | 99.8 | 26% | 0.264 | 58% | 0.58 | S | S | . | * | trans | -64.5 | 166.8 | 171.7 | 59.7 | 0 | 0 | 0 | 0 | 110.6 | S178 G179 E180 M182 | T176-S178 WeakPolarHBondContact CB-OG 3.44Å; T176-S178 PolarHBondContact O-N 3.19Å; T176-S178 PolarHBondContact OG1-N 3.26Å; T176-S178 PolarHBondContact OG1-OG 3.22Å; T176-G179 PolarHBondContact O-N 2.95Å; T176-G179 VanDerWaalsContact O-N 3.16Å; T176-G179 PolarHBondContact OG1-N 3.2Å; T176-E180 PolarHBondContact N-O 3.12Å; T176-E180 PolarHBondContact OG1-N 2.9Å; T176-E180 PolarHBondContact OG1-O 3.04Å; T176-M182 HydrophobicContact CG2-CG 4.39Å; T176-M182 HydrophobicContact CG2-SD 3.55Å; T176-M182 VanDerWaalsContact CG2-SD 3.55Å | ||
| 177 | C | 49.7 | Very low | 61.1 | Low | 148 Ų | 148 | 98.7 Ų | 98.7 | 100% | 1 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -18.4 | 171.2 | -64.1 | 0 | 0 | 0 | 0 | 113.2 | G179 | C177-G179 VanDerWaalsContact C-N 3.32Š|
| 178 | S | 58.1 | Low | 62.7 | Low | 80 Ų | 80 | 90.1 Ų | 90.1 | 56% | 0.559 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -17.3 | 171.4 | 48.5 | 0 | 0 | 0 | 0 | 113.3 | T176 E180 | T176-S178 WeakPolarHBondContact CB-OG 3.44Å; T176-S178 PolarHBondContact O-N 3.19Å; T176-S178 PolarHBondContact OG1-N 3.26Å; T176-S178 PolarHBondContact OG1-OG 3.22Å; S178-E180 VanDerWaalsContact C-N 3.31Å; S178-E180 VanDerWaalsContact CB-OE2 3.23Å; S178-E180 WeakPolarHBondContact CB-OE2 3.41Å; S178-E180 PolarHBondContact OG-OE2 3.37Å |
| 179 | G | 59.4 | Low | 64.4 | Low | 58 Ų | 58 | 93 Ų | 93 | 60% | 0.598 | 54% | 0.536 | S | S | * | . | S | Bend | trans | 85.5 | 2.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | T176 C177 | T176-G179 PolarHBondContact O-N 2.95Å; T176-G179 VanDerWaalsContact O-N 3.16Å; T176-G179 PolarHBondContact OG1-N 3.2Å; C177-G179 VanDerWaalsContact C-N 3.32Å |
| 180 | E | 66.2 | Low | 65.8 | Low | 122 Ų | 122 | 97 Ų | 97 | 57% | 0.57 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -68.1 | 153.6 | 168.5 | -68.9 | 159.4 | 137.4 | 0 | 0 | 110.4 | T176 S178 M182 | T176-E180 PolarHBondContact N-O 3.12Å; T176-E180 PolarHBondContact OG1-N 2.9Å; T176-E180 PolarHBondContact OG1-O 3.04Å; S178-E180 VanDerWaalsContact C-N 3.31Å; S178-E180 VanDerWaalsContact CB-OE2 3.23Å; S178-E180 WeakPolarHBondContact CB-OE2 3.41Å; S178-E180 PolarHBondContact OG-OE2 3.37Å; E180-M182 PolarHBondContact O-N 3.16Å |
| 181 | P | 64.4 | Low | 67.6 | Low | 109 Ų | 109 | 92.6 Ų | 92.6 | 71% | 0.708 | 52% | 0.523 | S | S | * | . | B | Isolated β-bridge | trans | -59.4 | 134.4 | 168.1 | 27.2 | -33.6 | 0 | 0 | 0 | 109.1 | D183 | P181-D183 PolarHBondContact O-N 2.91Å |
| 182 | M | 65 | Low | 69.3 | Low | 30 Ų | 30 | 90.8 Ų | 90.8 | 15% | 0.148 | 51% | 0.513 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 136.3 | 166.7 | -70.5 | -75 | -48.8 | 0 | 0 | 108.6 | P174 T176 E180 E186 I187 | P174-M182 VanDerWaalsContact C-CG 3.47Å; P174-M182 HydrophobicContact CB-CG 3.98Å; P174-M182 HydrophobicContact CG-CG 4.26Å; P174-M182 WeakPolarHBondContact O-CG 3.42Å; T176-M182 HydrophobicContact CG2-CG 4.39Å; T176-M182 HydrophobicContact CG2-SD 3.55Å; T176-M182 VanDerWaalsContact CG2-SD 3.55Å; E180-M182 PolarHBondContact O-N 3.16Å; M182-E186 HydrophobicContact CE-CB 4.12Å; M182-E186 HydrophobicContact CE-CG 3.35Å; M182-I187 HydrophobicContact CB-CD1 3.97Å; M182-I187 HydrophobicContact CB-CG1 3.76Å; M182-I187 WeakPolarHBondContact O-CD1 3.39Å |
| 183 | D | 79.6 | Confident | 70.7 | Confident | 96 Ų | 96 | 90 Ų | 90 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 136.7 | 174.8 | -178.2 | 87.7 | 0 | 0 | 0 | 111.2 | P181 E185 E186 I187 | P181-D183 PolarHBondContact O-N 2.91Å; D183-E185 PolarHBondContact O-N 3.13Å; D183-E185 VanDerWaalsContact OD2-CB 3.25Å; D183-E185 WeakPolarHBondContact OD2-CB 3.46Å; D183-E185 PolarHBondContact OD2-N 3.41Å; D183-E186 PolarHBondContact O-N 3.43Å; D183-I187 WeakPolarHBondContact O-CG1 3.23Å; D183-I187 PolarHBondContact O-N 2.93Å |
| 184 | P | 75.9 | Confident | 72.5 | Confident | 100 Ų | 100 | 91 Ų | 91 | 65% | 0.649 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.1 | -28.9 | -177.6 | 22.1 | -34.5 | 0 | 0 | 0 | 114.6 | I187 A188 | P184-I187 PolarHBondContact O-N 3.06Å; P184-A188 WeakPolarHBondContact O-CB 3.23Å; P184-A188 PolarHBondContact O-N 3.46Å |
| 185 | E | 79.7 | Confident | 74.4 | Confident | 156 Ų | 156 | 93.9 Ų | 93.9 | 73% | 0.729 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -72 | -42.5 | 178.3 | -163.9 | 176.6 | 169.1 | 0 | 0 | 111.2 | D183 I187 A188 R189 | D183-E185 PolarHBondContact O-N 3.13Å; D183-E185 VanDerWaalsContact OD2-CB 3.25Å; D183-E185 WeakPolarHBondContact OD2-CB 3.46Å; D183-E185 PolarHBondContact OD2-N 3.41Å; E185-I187 VanDerWaalsContact C-N 3.3Å; E185-I187 PolarHBondContact O-N 2.7Å; E185-A188 PolarHBondContact O-N 3.16Å; E185-R189 VanDerWaalsContact O-CB 3.31Å; E185-R189 WeakPolarHBondContact O-CB 3.07Å; E185-R189 PolarHBondContact O-N 3.06Å |
| 186 | E | 78.4 | Confident | 76.2 | Confident | 71 Ų | 71 | 95.1 Ų | 95.1 | 33% | 0.332 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68 | -29.2 | 173.8 | -178.9 | 61.8 | -156.3 | 0 | 0 | 111.7 | M182 D183 R189 R190 | M182-E186 HydrophobicContact CE-CB 4.12Å; M182-E186 HydrophobicContact CE-CG 3.35Å; D183-E186 PolarHBondContact O-N 3.43Å; E186-R189 IonicContact OE1-NH1 2.61Å; E186-R189 VanDerWaalsContact OE2-CD 3.29Å; E186-R189 WeakPolarHBondContact OE2-CD 3.5Å; E186-R189 IonicContact OE2-CZ 3.71Å; E186-R189 IonicContact OE2-NE 2.73Å; E186-R189 IonicContact OE2-NH1 2.71Å; E186-R189 PolarHBondContact OE2-NH1 3.15Å; E186-R190 VanDerWaalsContact O-CB 3.27Å; E186-R190 WeakPolarHBondContact O-CB 3.48Å; E186-R190 PolarHBondContact O-N 2.98Å; E186-R190 VanDerWaalsContact O-N 3.1Å |
| 187 | I | 78 | Confident | 78 | Confident | 43 Ų | 43 | 99.1 Ų | 99.1 | 22% | 0.221 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -65.6 | -49.1 | 168.8 | -63.5 | 171.4 | 0 | 0 | 0 | 110.6 | H173 P174 M182 D183 P184 E185 R189 R190 E191 | H173-I187 VanDerWaalsContact CE1-CD1 3.5Å; H173-I187 WeakPolarHBondContact CE1-CD1 3.49Å; P174-I187 HydrophobicContact CG-CG1 4.2Å; M182-I187 HydrophobicContact CB-CD1 3.97Å; M182-I187 HydrophobicContact CB-CG1 3.76Å; M182-I187 WeakPolarHBondContact O-CD1 3.39Å; D183-I187 WeakPolarHBondContact O-CG1 3.23Å; D183-I187 PolarHBondContact O-N 2.93Å; P184-I187 PolarHBondContact O-N 3.06Å; E185-I187 VanDerWaalsContact C-N 3.3Å; E185-I187 PolarHBondContact O-N 2.7Å; I187-R189 PolarHBondContact O-N 3.46Å; I187-R190 PolarHBondContact O-N 3.19Å; I187-R190 VanDerWaalsContact O-N 3.16Å; I187-E191 PolarHBondContact O-N 3.02Å |
| 188 | A | 85.3 | Confident | 80.1 | Confident | 61 Ų | 61 | 97.8 Ų | 97.8 | 50% | 0.504 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 180 | 0 | 0 | 0 | 0 | 0 | 111.6 | P184 E185 R190 E191 L192 | P184-A188 WeakPolarHBondContact O-CB 3.23Å; P184-A188 PolarHBondContact O-N 3.46Å; E185-A188 PolarHBondContact O-N 3.16Å; A188-R190 VanDerWaalsContact C-N 3.28Å; A188-R190 PolarHBondContact O-N 2.9Å; A188-E191 PolarHBondContact O-N 3.09Å; A188-L192 PolarHBondContact O-N 3.15Å |
| 189 | R | 86.2 | Confident | 81.8 | Confident | 169 Ų | 169 | 101 Ų | 101 | 64% | 0.638 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -55 | -41.3 | 173.1 | -174.2 | -171.9 | -179 | -158.7 | 5.7 | 112.4 | E185 E186 I187 L192 D193 | E185-R189 VanDerWaalsContact O-CB 3.31Å; E185-R189 WeakPolarHBondContact O-CB 3.07Å; E185-R189 PolarHBondContact O-N 3.06Å; E186-R189 IonicContact OE1-NH1 2.61Å; E186-R189 VanDerWaalsContact OE2-CD 3.29Å; E186-R189 WeakPolarHBondContact OE2-CD 3.5Å; E186-R189 IonicContact OE2-CZ 3.71Å; E186-R189 IonicContact OE2-NE 2.73Å; E186-R189 IonicContact OE2-NH1 2.71Å; E186-R189 PolarHBondContact OE2-NH1 3.15Å; I187-R189 PolarHBondContact O-N 3.46Å; R189-L192 WeakPolarHBondContact O-CB 3.43Å; R189-L192 PolarHBondContact O-N 3Å; R189-D193 PolarHBondContact O-N 3.42Å |
| 190 | R | 79.3 | Confident | 83.3 | Confident | 117 Ų | 117 | 107 Ų | 107 | 44% | 0.442 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73.4 | -30.5 | 178.9 | -167.9 | 173 | -169.3 | 169.4 | 5.1 | 113.5 | E186 I187 A188 R194 | E186-R190 VanDerWaalsContact O-CB 3.27Å; E186-R190 WeakPolarHBondContact O-CB 3.48Å; E186-R190 PolarHBondContact O-N 2.98Å; E186-R190 VanDerWaalsContact O-N 3.1Å; I187-R190 PolarHBondContact O-N 3.19Å; I187-R190 VanDerWaalsContact O-N 3.16Å; A188-R190 VanDerWaalsContact C-N 3.28Å; A188-R190 PolarHBondContact O-N 2.9Å; R190-R194 WeakPolarHBondContact O-CD 3.37Å; R190-R194 VanDerWaalsContact O-CG 3.29Å; R190-R194 WeakPolarHBondContact O-CG 3.29Å; R190-R194 PolarHBondContact O-N 3.13Å |
| 191 | E | 87.7 | Confident | 84.6 | Confident | 73 Ų | 73 | 108.6 Ų | 108.6 | 34% | 0.341 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73.6 | -33.5 | 169.3 | -75.1 | -52.6 | 126 | 0 | 0 | 112.4 | I187 A188 R194 L195 | I187-E191 PolarHBondContact O-N 3.02Å; A188-E191 PolarHBondContact O-N 3.09Å; E191-R194 WeakPolarHBondContact O-CB 3.42Å; E191-R194 PolarHBondContact O-N 3.34Å; E191-R194 WeakPolarHBondContact OE1-CD 3.45Å; E191-R194 IonicContact OE1-CZ 2.7Å; E191-R194 IonicContact OE1-NE 3.92Å; E191-R194 IonicContact OE1-NH1 3.56Å; E191-R194 PolarHBondContact OE1-NH1 3.34Å; E191-L195 WeakPolarHBondContact O-CG 3.1Å; E191-L195 PolarHBondContact O-N 3.2Å |
| 192 | L | 89.8 | Confident | 85.9 | Confident | 113 Ų | 113 | 110.2 Ų | 110.2 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.4 | -49.5 | 172.7 | -157.6 | 169.3 | 0 | 0 | 0 | 110.8 | A188 R189 R194 L195 E196 | A188-L192 PolarHBondContact O-N 3.15Å; R189-L192 WeakPolarHBondContact O-CB 3.43Å; R189-L192 PolarHBondContact O-N 3Å; L192-R194 VanDerWaalsContact C-N 3.27Å; L192-R194 PolarHBondContact O-N 3.24Å; L192-L195 PolarHBondContact O-N 3.16Å; L192-E196 PolarHBondContact O-N 3.3Å |
| 193 | D | 87.8 | Confident | 87.1 | Confident | 60 Ų | 60 | 114.2 Ų | 114.2 | 32% | 0.321 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -53.3 | -41.5 | 171.7 | 170.7 | 89.6 | 0 | 0 | 0 | 112.7 | R189 K197 | R189-D193 PolarHBondContact O-N 3.42Å; D193-K197 WeakPolarHBondContact O-CB 3.5Å; D193-K197 VanDerWaalsContact O-CG 3.29Å; D193-K197 WeakPolarHBondContact O-CG 3.29Å; D193-K197 PolarHBondContact O-N 2.7Å; D193-K197 WeakPolarHBondContact OD1-CE 3.41Å; D193-K197 IonicContact OD1-NZ 3.72Å; D193-K197 PolarHBondContact OD1-NZ 3.47Å; D193-K197 WeakPolarHBondContact OD2-CE 3.07Å; D193-K197 IonicContact OD2-NZ 2.65Å; D193-K197 PolarHBondContact OD2-NZ 3.2Å |
| 194 | R | 88.3 | Confident | 87.5 | Confident | 127 Ų | 127 | 119.3 Ų | 119.3 | 48% | 0.479 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.9 | -38 | 175.6 | -76.9 | 168.6 | 155.1 | -175.5 | -4.4 | 112.6 | R190 E191 L192 K198 | R190-R194 WeakPolarHBondContact O-CD 3.37Å; R190-R194 VanDerWaalsContact O-CG 3.29Å; R190-R194 WeakPolarHBondContact O-CG 3.29Å; R190-R194 PolarHBondContact O-N 3.13Å; E191-R194 WeakPolarHBondContact O-CB 3.42Å; E191-R194 PolarHBondContact O-N 3.34Å; E191-R194 WeakPolarHBondContact OE1-CD 3.45Å; E191-R194 IonicContact OE1-CZ 2.7Å; E191-R194 IonicContact OE1-NE 3.92Å; E191-R194 IonicContact OE1-NH1 3.56Å; E191-R194 PolarHBondContact OE1-NH1 3.34Å; L192-R194 VanDerWaalsContact C-N 3.27Å; L192-R194 PolarHBondContact O-N 3.24Å; R194-K198 WeakPolarHBondContact O-CD 3.31Å; R194-K198 VanDerWaalsContact O-CG 3.23Å; R194-K198 WeakPolarHBondContact O-CG 3.25Å; R194-K198 PolarHBondContact O-N 3.43Å; R194-K198 VanDerWaalsContact O-N 3.11Å |
| 195 | L | 94 | Very high | 88.2 | Confident | 105 Ų | 105 | 123.8 Ų | 123.8 | 55% | 0.55 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -71.2 | -41.8 | 176.9 | -72.2 | 167.1 | 0 | 0 | 0 | 111.6 | E191 L192 K198 K199 | E191-L195 WeakPolarHBondContact O-CG 3.1Å; E191-L195 PolarHBondContact O-N 3.2Å; L192-L195 PolarHBondContact O-N 3.16Å; L195-K198 HydrophobicContact CD2-CD 4.31Å; L195-K198 WeakPolarHBondContact O-CB 3.31Å; L195-K198 PolarHBondContact O-N 3.4Å; L195-K199 WeakPolarHBondContact O-CB 3.23Å; L195-K199 PolarHBondContact O-N 2.83Å |
| 196 | E | 91.6 | Very high | 88.6 | Confident | 117 Ų | 117 | 121.3 Ų | 121.3 | 55% | 0.547 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 174 | -172.9 | -178.1 | -109.5 | 0 | 0 | 111.4 | L192 K198 K199 R200 | L192-E196 PolarHBondContact O-N 3.3Å; E196-K198 VanDerWaalsContact C-N 3.28Å; E196-K198 PolarHBondContact O-N 3.35Å; E196-K199 WeakPolarHBondContact O-CB 3.46Å; E196-K199 PolarHBondContact O-N 3.07Å; E196-K199 VanDerWaalsContact O-N 3.14Å; E196-R200 WeakPolarHBondContact O-CB 3.43Å; E196-R200 PolarHBondContact O-N 2.7Å |
| 197 | K | 92.9 | Very high | 88.8 | Confident | 126 Ų | 126 | 123.5 Ų | 123.5 | 55% | 0.548 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63 | -31.6 | 175.5 | -74.3 | 168.1 | -175 | 163.1 | 0 | 113 | D193 K201 | D193-K197 WeakPolarHBondContact O-CB 3.5Å; D193-K197 VanDerWaalsContact O-CG 3.29Å; D193-K197 WeakPolarHBondContact O-CG 3.29Å; D193-K197 PolarHBondContact O-N 2.7Å; D193-K197 WeakPolarHBondContact OD1-CE 3.41Å; D193-K197 IonicContact OD1-NZ 3.72Å; D193-K197 PolarHBondContact OD1-NZ 3.47Å; D193-K197 WeakPolarHBondContact OD2-CE 3.07Å; D193-K197 IonicContact OD2-NZ 2.65Å; D193-K197 PolarHBondContact OD2-NZ 3.2Å; K197-K201 VanDerWaalsContact O-CB 3.31Å; K197-K201 WeakPolarHBondContact O-CB 3.45Å; K197-K201 PolarHBondContact O-N 2.53Å |
| 198 | K | 93.6 | Very high | 89.2 | Confident | 121 Ų | 121 | 129.3 Ų | 129.3 | 53% | 0.526 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.6 | -50.3 | 169.4 | -71.4 | 162.7 | -172.2 | 168 | 0 | 110.8 | R194 L195 E196 K201 Q202 | R194-K198 WeakPolarHBondContact O-CD 3.31Å; R194-K198 VanDerWaalsContact O-CG 3.23Å; R194-K198 WeakPolarHBondContact O-CG 3.25Å; R194-K198 PolarHBondContact O-N 3.43Å; R194-K198 VanDerWaalsContact O-N 3.11Å; L195-K198 HydrophobicContact CD2-CD 4.31Å; L195-K198 WeakPolarHBondContact O-CB 3.31Å; L195-K198 PolarHBondContact O-N 3.4Å; E196-K198 VanDerWaalsContact C-N 3.28Å; E196-K198 PolarHBondContact O-N 3.35Å; K198-K201 PolarHBondContact O-N 3.45Å; K198-K201 VanDerWaalsContact O-N 3.14Å; K198-Q202 PolarHBondContact O-N 2.65Å |
| 199 | K | 94.5 | Very high | 88.8 | Confident | 147 Ų | 147 | 129.8 Ų | 129.8 | 64% | 0.639 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -54.7 | -54.6 | 178.3 | -176.7 | -176.5 | 176.1 | -174 | 0 | 111.3 | L195 E196 K201 Q202 E203 | L195-K199 WeakPolarHBondContact O-CB 3.23Å; L195-K199 PolarHBondContact O-N 2.83Å; E196-K199 WeakPolarHBondContact O-CB 3.46Å; E196-K199 PolarHBondContact O-N 3.07Å; E196-K199 VanDerWaalsContact O-N 3.14Å; K199-K201 PolarHBondContact O-N 3.18Å; K199-Q202 WeakPolarHBondContact O-CB 3.28Å; K199-Q202 PolarHBondContact O-N 2.98Å; K199-E203 WeakPolarHBondContact O-CB 3.36Å; K199-E203 PolarHBondContact O-N 3.42Å |
| 200 | R | 91.1 | Very high | 88.4 | Confident | 185 Ų | 185 | 127.7 Ų | 127.7 | 70% | 0.698 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.8 | -30.7 | 178.4 | -167.1 | 175.5 | -178.2 | -175.1 | 1.5 | 113.1 | E196 R204 | E196-R200 WeakPolarHBondContact O-CB 3.43Å; E196-R200 PolarHBondContact O-N 2.7Å; R200-R204 VanDerWaalsContact O-CB 3.25Å; R200-R204 WeakPolarHBondContact O-CB 3.45Å; R200-R204 PolarHBondContact O-N 3.43Å |
| 201 | K | 94.1 | Very high | 87.9 | Confident | 154 Ų | 154 | 126.5 Ų | 126.5 | 67% | 0.67 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -76.6 | -33.3 | 174.7 | -173.6 | 174.4 | -179.1 | 177.9 | 0 | 112.9 | K197 K198 K199 R205 | K197-K201 VanDerWaalsContact O-CB 3.31Å; K197-K201 WeakPolarHBondContact O-CB 3.45Å; K197-K201 PolarHBondContact O-N 2.53Å; K198-K201 PolarHBondContact O-N 3.45Å; K198-K201 VanDerWaalsContact O-N 3.14Å; K199-K201 PolarHBondContact O-N 3.18Å; K201-R205 WeakPolarHBondContact O-CG 3.48Å; K201-R205 PolarHBondContact O-N 3.11Å |
| 202 | Q | 91.7 | Very high | 86.8 | Confident | 143 Ų | 143 | 131.3 Ų | 131.3 | 67% | 0.668 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -72 | -45.3 | 172.9 | 179.9 | 176.1 | -5.2 | 0 | 0 | 111.1 | K198 K199 R205 L206 | K198-Q202 PolarHBondContact O-N 2.65Å; K199-Q202 WeakPolarHBondContact O-CB 3.28Å; K199-Q202 PolarHBondContact O-N 2.98Å; Q202-R205 WeakPolarHBondContact O-CA 3.31Å; Q202-R205 VanDerWaalsContact O-CB 3.31Å; Q202-R205 WeakPolarHBondContact O-CB 3.45Å; Q202-R205 PolarHBondContact O-N 3.21Å; Q202-R205 VanDerWaalsContact O-N 3.08Å; Q202-L206 PolarHBondContact O-N 3.21Å |
| 203 | E | 90.3 | Very high | 85.3 | Confident | 114 Ų | 114 | 133.4 Ų | 133.4 | 53% | 0.533 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -57.9 | -49.1 | 173.4 | -179.7 | 179.7 | -153.4 | 0 | 0 | 111.7 | K199 R205 L206 L207 | K199-E203 WeakPolarHBondContact O-CB 3.36Å; K199-E203 PolarHBondContact O-N 3.42Å; E203-R205 PolarHBondContact O-N 3.33Å; E203-L206 PolarHBondContact O-N 2.94Å; E203-L206 VanDerWaalsContact O-N 3.11Å; E203-L207 WeakPolarHBondContact O-CB 3.29Å; E203-L207 PolarHBondContact O-N 3.28Å |
| 204 | R | 87.7 | Confident | 83.8 | Confident | 203 Ų | 203 | 135.7 Ų | 135.7 | 77% | 0.766 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -61.6 | -26.6 | 174.4 | -172 | 175.5 | -174.7 | -120.9 | 3.6 | 113.2 | R200 K208 | R200-R204 VanDerWaalsContact O-CB 3.25Å; R200-R204 WeakPolarHBondContact O-CB 3.45Å; R200-R204 PolarHBondContact O-N 3.43Å; R204-K208 VanDerWaalsContact O-CB 3.28Å; R204-K208 WeakPolarHBondContact O-CB 3.27Å; R204-K208 PolarHBondContact O-N 2.98Å |
| 205 | R | 90.4 | Very high | 82 | Confident | 194 Ų | 194 | 134 Ų | 134 | 73% | 0.732 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -72.9 | -49.3 | 170.9 | -84.3 | 176.6 | 144.3 | -162.4 | -8.8 | 111.1 | K201 Q202 E203 L207 K208 S209 | K201-R205 WeakPolarHBondContact O-CG 3.48Å; K201-R205 PolarHBondContact O-N 3.11Å; Q202-R205 WeakPolarHBondContact O-CA 3.31Å; Q202-R205 VanDerWaalsContact O-CB 3.31Å; Q202-R205 WeakPolarHBondContact O-CB 3.45Å; Q202-R205 PolarHBondContact O-N 3.21Å; Q202-R205 VanDerWaalsContact O-N 3.08Å; E203-R205 PolarHBondContact O-N 3.33Å; R205-L207 PolarHBondContact O-N 3.03Å; R205-K208 CarbonylContact O-C 3.45Å; R205-K208 PolarHBondContact O-N 2.86Å; R205-K208 VanDerWaalsContact O-N 3.15Å; R205-S209 PolarHBondContact O-N 3.14Å; R205-S209 PolarHBondContact O-OG 3.21Å |
| 206 | L | 87.6 | Confident | 80.2 | Confident | 104 Ų | 104 | 131.7 Ų | 131.7 | 55% | 0.545 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -59.3 | -47 | 179.1 | -177.6 | 63.4 | 0 | 0 | 0 | 111.6 | Q202 E203 K208 S209 Q210 | Q202-L206 PolarHBondContact O-N 3.21Å; E203-L206 PolarHBondContact O-N 2.94Å; E203-L206 VanDerWaalsContact O-N 3.11Å; L206-K208 VanDerWaalsContact C-N 3.3Å; L206-K208 PolarHBondContact O-N 3.14Å; L206-S209 WeakPolarHBondContact CA-OG 3.42Å; L206-S209 PolarHBondContact O-N 2.71Å; L206-S209 VanDerWaalsContact O-N 3.17Å; L206-S209 PolarHBondContact O-OG 2.99Å; L206-Q210 WeakPolarHBondContact O-CG 3.25Å; L206-Q210 PolarHBondContact O-N 2.61Å |
| 207 | L | 83 | Confident | 78.4 | Confident | 117 Ų | 117 | 133.2 Ų | 133.2 | 61% | 0.613 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -63 | -36.2 | 176.6 | -164 | 71.1 | 0 | 0 | 0 | 111.6 | E203 R205 N211 | E203-L207 WeakPolarHBondContact O-CB 3.29Å; E203-L207 PolarHBondContact O-N 3.28Å; R205-L207 PolarHBondContact O-N 3.03Å; L207-N211 VanDerWaalsContact O-CB 3.27Å; L207-N211 WeakPolarHBondContact O-CB 3.27Å; L207-N211 PolarHBondContact O-N 3.28Å |
| 208 | K | 85.5 | Confident | 76.6 | Confident | 166 Ų | 166 | 134.1 Ų | 134.1 | 72% | 0.722 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -74 | -27.1 | 175 | -173.9 | 156.5 | -177.3 | 160.4 | 0 | 113.4 | R204 R205 L206 K212 | R204-K208 VanDerWaalsContact O-CB 3.28Å; R204-K208 WeakPolarHBondContact O-CB 3.27Å; R204-K208 PolarHBondContact O-N 2.98Å; R205-K208 CarbonylContact O-C 3.45Å; R205-K208 PolarHBondContact O-N 2.86Å; R205-K208 VanDerWaalsContact O-N 3.15Å; L206-K208 VanDerWaalsContact C-N 3.3Å; L206-K208 PolarHBondContact O-N 3.14Å; K208-K212 VanDerWaalsContact O-CB 3.29Å; K208-K212 WeakPolarHBondContact O-CB 3.31Å; K208-K212 PolarHBondContact O-N 3.02Å |
| 209 | S | 77.8 | Confident | 74.2 | Confident | 71 Ų | 71 | 136.6 Ų | 136.6 | 50% | 0.497 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -75.2 | -41.2 | 169.2 | 43 | 0 | 0 | 0 | 0 | 112.5 | R205 L206 K212 L213 | R205-S209 PolarHBondContact O-N 3.14Å; R205-S209 PolarHBondContact O-OG 3.21Å; L206-S209 WeakPolarHBondContact CA-OG 3.42Å; L206-S209 PolarHBondContact O-N 2.71Å; L206-S209 VanDerWaalsContact O-N 3.17Å; L206-S209 PolarHBondContact O-OG 2.99Å; S209-K212 PolarHBondContact O-N 3.21Å; S209-L213 PolarHBondContact O-N 2.8Å |
| 210 | Q | 77.6 | Confident | 72 | Confident | 124 Ų | 124 | 138.7 Ų | 138.7 | 58% | 0.579 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -66.6 | -46.1 | 177.1 | -66.8 | -153.5 | 111.7 | 0 | 0 | 111.7 | L206 K212 L213 V214 | L206-Q210 WeakPolarHBondContact O-CG 3.25Å; L206-Q210 PolarHBondContact O-N 2.61Å; Q210-K212 VanDerWaalsContact C-N 3.27Å; Q210-K212 PolarHBondContact O-N 2.88Å; Q210-L213 WeakPolarHBondContact O-CA 3.32Å; Q210-L213 VanDerWaalsContact O-CB 3.31Å; Q210-L213 WeakPolarHBondContact O-CB 3.29Å; Q210-L213 PolarHBondContact O-N 3.2Å; Q210-V214 PolarHBondContact O-N 3.08Å |
| 211 | N | 68.3 | Low | 69.8 | Low | 93 Ų | 93 | 135.7 Ų | 135.7 | 50% | 0.497 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -66.3 | -30 | 178.3 | -157.7 | -4.6 | 0 | 0 | 0 | 111.9 | L207 L213 V214 S215 | L207-N211 VanDerWaalsContact O-CB 3.27Å; L207-N211 WeakPolarHBondContact O-CB 3.27Å; L207-N211 PolarHBondContact O-N 3.28Å; N211-L213 PolarHBondContact O-N 3.17Å; N211-V214 PolarHBondContact O-N 3.25Å; N211-S215 PolarHBondContact O-N 3.4Å; N211-S215 PolarHBondContact O-OG 2.88Å; N211-S215 PolarHBondContact OD1-OG 3.11Å |
| 212 | K | 66 | Low | 68 | Low | 174 Ų | 174 | 134.5 Ų | 134.5 | 76% | 0.757 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -65.5 | -19.3 | 170.4 | -172.4 | 172.5 | -179.2 | -168.5 | 0 | 113.4 | K208 S209 Q210 | K208-K212 VanDerWaalsContact O-CB 3.29Å; K208-K212 WeakPolarHBondContact O-CB 3.31Å; K208-K212 PolarHBondContact O-N 3.02Å; S209-K212 PolarHBondContact O-N 3.21Å; Q210-K212 VanDerWaalsContact C-N 3.27Å; Q210-K212 PolarHBondContact O-N 2.88Å |
| 213 | L | 57.5 | Low | 65.3 | Low | 156 Ų | 156 | 131 Ų | 131 | 82% | 0.817 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -86.6 | -21.8 | 172 | -147 | 76.6 | 0 | 0 | 0 | 112.6 | S209 Q210 N211 | S209-L213 PolarHBondContact O-N 2.8Å; Q210-L213 WeakPolarHBondContact O-CA 3.32Å; Q210-L213 VanDerWaalsContact O-CB 3.31Å; Q210-L213 WeakPolarHBondContact O-CB 3.29Å; Q210-L213 PolarHBondContact O-N 3.2Å; N211-L213 PolarHBondContact O-N 3.17Å |
| 214 | V | 56.4 | Low | 63 | Low | 109 Ų | 109 | 130.4 Ų | 130.4 | 66% | 0.661 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -90.9 | -37 | -179.6 | 176.9 | 0 | 0 | 0 | 0 | 111.7 | Q210 N211 G216 | Q210-V214 PolarHBondContact O-N 3.08Å; N211-V214 PolarHBondContact O-N 3.25Å; V214-G216 PolarHBondContact O-N 3.49Å |
| 215 | S | 50.8 | Low | 60.7 | Low | 91 Ų | 91 | 128.7 Ų | 128.7 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 25.2 | 171 | -43.9 | 0 | 0 | 0 | 0 | 113.4 | N211 | N211-S215 PolarHBondContact O-N 3.4Å; N211-S215 PolarHBondContact O-OG 2.88Å; N211-S215 PolarHBondContact OD1-OG 3.11Å |
| 216 | G | 55.6 | Low | 58.3 | Low | 57 Ų | 57 | 124.3 Ų | 124.3 | 59% | 0.588 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -28.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V214 | V214-G216 PolarHBondContact O-N 3.49Š|
| 217 | D | 53 | Low | 56 | Low | 148 Ų | 148 | 126.2 Ų | 126.2 | 79% | 0.791 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -132.8 | 159 | -178 | -80.8 | -67.4 | 0 | 0 | 0 | 111.4 | ||
| 218 | L | 56.3 | Low | 53.9 | Low | 145 Ų | 145 | 126.1 Ų | 126.1 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 78 | 100 | 164.3 | -152.4 | 55.6 | 0 | 0 | 0 | 117.6 | ||
| 219 | F | 43.4 | Very low | 51.9 | Low | 173 Ų | 173 | 121.2 Ų | 121.2 | 76% | 0.759 | 72% | 0.718 | S | S | * | * | trans | 74.2 | 109 | 168 | -59 | -61.3 | 0 | 0 | 0 | 120.2 | T221 | F219-T221 PolarHBondContact O-N 2.9Š| ||
| 220 | H | 47 | Very low | 50 | Low | 192 Ų | 192 | 124 Ų | 124 | 89% | 0.889 | 73% | 0.732 | S | S | * | * | trans | -64.6 | 120.7 | 145.2 | -77.1 | -89.5 | 0 | 0 | 0 | 109.9 | P222 | H220-P222 WeakPolarHBondContact O-CD 3.49Š| ||
| 221 | T | 45.2 | Very low | 48.3 | Very low | 121 Ų | 121 | 122.9 Ų | 122.9 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | trans | -101.5 | 106.1 | 160.3 | 52.4 | 0 | 0 | 0 | 0 | 109.2 | F219 G223 | F219-T221 PolarHBondContact O-N 2.9Å; T221-G223 PolarHBondContact O-N 3.15Å | ||
| 222 | P | 56.5 | Low | 46.5 | Very low | 129 Ų | 129 | 126.4 Ų | 126.4 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | trans | -76.3 | 117.5 | 174.1 | 30 | -31.9 | 0 | 0 | 0 | 110.1 | H220 | H220-P222 WeakPolarHBondContact O-CD 3.49Š| ||
| 223 | G | 35.3 | Very low | 45.2 | Very low | 70 Ų | 70 | 123.4 Ų | 123.4 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | trans | 137.9 | 133.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T221 | T221-G223 PolarHBondContact O-N 3.15Š| ||
| 224 | S | 41.6 | Very low | 44.1 | Very low | 101 Ų | 101 | 122.3 Ų | 122.3 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | cis | -138.3 | 100.6 | 2.2 | -173.4 | 0 | 0 | 0 | 0 | 109.7 | S226 | S224-S226 VanDerWaalsContact C-N 3.28Å; S224-S226 PolarHBondContact O-N 3.26Å; S224-S226 VanDerWaalsContact O-N 3.07Å; S224-S226 PolarHBondContact OG-OG 3.27Å; S224-S226 VanDerWaalsContact OG-OG 3.13Å | ||
| 225 | D | 39 | Very low | 42.8 | Very low | 168 Ų | 168 | 124.8 Ų | 124.8 | 90% | 0.898 | 76% | 0.756 | S | S | * | * | trans | -72 | 90.2 | 156.7 | -81.9 | -61.9 | 0 | 0 | 0 | 107.8 | D227 | D225-D227 PolarHBondContact O-N 2.92Š| ||
| 226 | S | 40.6 | Very low | 42.4 | Very low | 102 Ų | 102 | 125.6 Ų | 125.6 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | -76.7 | 61.5 | 170 | -58.5 | 0 | 0 | 0 | 0 | 110.3 | S224 | S224-S226 VanDerWaalsContact C-N 3.28Å; S224-S226 PolarHBondContact O-N 3.26Å; S224-S226 VanDerWaalsContact O-N 3.07Å; S224-S226 PolarHBondContact OG-OG 3.27Å; S224-S226 VanDerWaalsContact OG-OG 3.13Å | ||
| 227 | D | 39.8 | Very low | 41.4 | Very low | 143 Ų | 143 | 130.5 Ų | 130.5 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | trans | -77.9 | 115.7 | 160.3 | -175.9 | 13 | 0 | 0 | 0 | 108.8 | D225 G229 | D225-D227 PolarHBondContact O-N 2.92Å; D227-G229 PolarHBondContact OD1-N 3.35Å | ||
| 228 | S | 39 | Very low | 40.9 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -132.7 | 37.7 | 170.4 | 55.2 | 0 | 0 | 0 | 0 | 111.2 | V230 | S228-V230 PolarHBondContact O-N 2.93Š| ||
| 229 | G | 43.6 | Very low | 39.8 | Very low | 64 Ų | 64 | 132.5 Ų | 132.5 | 66% | 0.66 | 78% | 0.78 | S | S | * | * | trans | -74.3 | 98.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | D227 | D227-G229 PolarHBondContact OD1-N 3.35Š| ||
| 230 | V | 38.2 | Very low | 39.2 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | trans | -162.2 | 131.6 | 135 | 66.9 | 0 | 0 | 0 | 0 | 112.8 | S228 | S228-V230 PolarHBondContact O-N 2.93Š| ||
| 231 | S | 40.9 | Very low | 38.4 | Very low | 100 Ų | 100 | 126.2 Ų | 126.2 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | -10.2 | 143.3 | 171.7 | 65.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 232 | H | 31.5 | Very low | 38.9 | Very low | 167 Ų | 167 | 126 Ų | 126 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | -145.5 | 159.4 | 98.3 | -154.8 | -99.7 | 0 | 0 | 0 | 112.2 | |||||
| 233 | V | 38.9 | Very low | 38.6 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 67% | 0.673 | 77% | 0.768 | S | S | * | * | trans | -91.9 | 147.6 | 172 | -67.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 234 | T | 32.6 | Very low | 38.3 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | trans | -171.4 | 111 | 144.4 | 36.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 235 | D | 30.1 | Very low | 37.7 | Very low | 161 Ų | 161 | 131 Ų | 131 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | -136.9 | 120.9 | 133 | -166.6 | -106.3 | 0 | 0 | 0 | 106.2 | ||||
| 236 | S | 42.8 | Very low | 37.5 | Very low | 109 Ų | 109 | 127.3 Ų | 127.3 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | -159.1 | 138.8 | 178.6 | -78.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 237 | D | 33.3 | Very low | 37.2 | Very low | 160 Ų | 160 | 129.4 Ų | 129.4 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | trans | -58.1 | 157.3 | -165.7 | -67.6 | -87.6 | 0 | 0 | 0 | 116.6 | N239 | D237-N239 PolarHBondContact O-N 3.26Š| ||
| 238 | H | 44.1 | Very low | 36.8 | Very low | 182 Ų | 182 | 126.1 Ų | 126.1 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | -54.5 | 129.4 | 169.6 | -66.2 | -70.2 | 0 | 0 | 0 | 113.1 | ||||
| 239 | N | 32.5 | Very low | 36.4 | Very low | 153 Ų | 153 | 123.9 Ų | 123.9 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | -159.3 | 144 | 115.8 | -116.7 | -35.7 | 0 | 0 | 0 | 114.8 | D237 | D237-N239 PolarHBondContact O-N 3.26Š| |||
| 240 | T | 31.5 | Very low | 35.9 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 71% | 0.712 | 76% | 0.762 | S | S | * | * | trans | 64.5 | 92.3 | 157.2 | -41.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 241 | C | 29.9 | Very low | 35.8 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | 21.1 | 163.3 | 121.4 | -54.6 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 242 | P | 54.2 | Low | 35.3 | Very low | 117 Ų | 117 | 131.3 Ų | 131.3 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | cis | -140.6 | -144.8 | -41.7 | 42 | -21.8 | 0 | 0 | 0 | 110.4 | ||||
| 243 | P | 51 | Low | 35.4 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | -120.7 | 177.7 | -52.2 | 31 | -12.4 | 0 | 0 | 0 | 114.3 | |||||
| 244 | F | 29 | Very low | 35.1 | Very low | 181 Ų | 181 | 132.6 Ų | 132.6 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | 135.8 | 115.9 | 124.9 | -155.8 | -118.7 | 0 | 0 | 0 | 117 | |||||
| 245 | D | 30.1 | Very low | 35.1 | Very low | 113 Ų | 113 | 133 Ų | 133 | 60% | 0.604 | 79% | 0.786 | S | S | * | * | trans | 65.3 | 116 | 145.3 | -89.6 | 45.7 | 0 | 0 | 0 | 127.6 | ||||
| 246 | S | 34.5 | Very low | 35.2 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | 96.9 | 117.8 | 112 | -79.7 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 247 | V | 34.2 | Very low | 35.1 | Very low | 145 Ų | 145 | 136 Ų | 136 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | 64.1 | 140.1 | 144.5 | -174.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 248 | G | 30.5 | Very low | 34.8 | Very low | 74 Ų | 74 | 134.4 Ų | 134.4 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | cis | 128.8 | 145.5 | 8.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 249 | G | 30.7 | Very low | 34.3 | Very low | 69 Ų | 69 | 132.8 Ų | 132.8 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | cis | 176.5 | -162.7 | 3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 250 | N | 32.8 | Very low | 34 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | 71.2 | 122.9 | 173.7 | -64.9 | -27.5 | 0 | 0 | 0 | 117.1 | ||||
| 251 | Q | 35.6 | Very low | 34.1 | Very low | 177 Ų | 177 | 133.5 Ų | 133.5 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | 79.3 | 118.3 | 64.5 | -75.4 | -172.9 | 87.8 | 0 | 0 | 115.1 | |||||
| 252 | S | 30.7 | Very low | 34 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | -164.5 | 162.9 | 124.1 | -161.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 253 | M | 35.3 | Very low | 32.9 | Very low | 174 Ų | 174 | 135.7 Ų | 135.7 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | trans | -137.4 | 140.8 | -178 | 173.6 | -177 | 74.7 | 0 | 0 | 109.3 | ||||
| 254 | C | 30.7 | Very low | 32.1 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 89% | 0.885 | 77% | 0.772 | S | S | * | * | trans | -151.4 | 146.2 | 157.7 | 53.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 255 | D | 33.1 | Very low | 32.2 | Very low | 143 Ų | 143 | 137.7 Ų | 137.7 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | trans | -141.5 | 137.8 | -179.7 | -179 | 0.8 | 0 | 0 | 0 | 106 | ||||
| 256 | L | 33.2 | Very low | 32.5 | Very low | 166 Ų | 166 | 138.5 Ų | 138.5 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | trans | -156.2 | 130 | 173.4 | -150.6 | 69.5 | 0 | 0 | 0 | 113.8 | ||||
| 257 | Q | 39.2 | Very low | 32.3 | Very low | 167 Ų | 167 | 140 Ų | 140 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | trans | -88.7 | 164.4 | 174.3 | -59.5 | 169.3 | -20.9 | 0 | 0 | 111.4 | ||||
| 258 | S | 27.9 | Very low | 32.3 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 88% | 0.881 | 76% | 0.76 | S | S | * | * | trans | -155.1 | 148.1 | 153.6 | -83.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 259 | Q | 33.7 | Very low | 32.4 | Very low | 148 Ų | 148 | 145 Ų | 145 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | trans | -123.8 | 150.6 | -178.3 | -59.7 | -177.7 | 2 | 0 | 0 | 111.8 | ||||
| 260 | N | 26.9 | Very low | 32.6 | Very low | 144 Ų | 144 | 146 Ų | 146 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | -174.7 | 135.3 | 137.6 | -109.2 | -97.9 | 0 | 0 | 0 | 106.8 | ||||
| 261 | Q | 31.8 | Very low | 32.5 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | cis | 94 | 136.8 | 30 | -70.4 | -161.2 | 39.1 | 0 | 0 | 116 | ||||
| 262 | N | 28.8 | Very low | 32.3 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | trans | 88.6 | 154.6 | 170.6 | -59.4 | -72.5 | 0 | 0 | 0 | 118.5 | ||||
| 263 | Q | 30.5 | Very low | 32.5 | Very low | 161 Ų | 161 | 138.4 Ų | 138.4 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | cis | 171.9 | 158.1 | -43.2 | -120.3 | 60.9 | -24.5 | 0 | 0 | 107.1 | ||||
| 264 | R | 34.9 | Very low | 32.4 | Very low | 213 Ų | 213 | 138.6 Ų | 138.6 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | cis | -119.1 | -125.5 | 3.5 | -57 | -178.9 | -84.8 | 155.8 | -4 | 109.6 | ||||
| 265 | H | 30.7 | Very low | 32.9 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 56% | 0.56 | 75% | 0.753 | S | S | * | * | cis | -142.2 | -138.7 | 0.6 | -159.2 | -106.7 | 0 | 0 | 0 | 112 | ||||
| 266 | L | 36.1 | Very low | 32.7 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 68% | 0.681 | 75% | 0.754 | S | S | * | * | trans | -132.4 | 169.8 | -167.3 | -54.1 | 176.6 | 0 | 0 | 0 | 109.4 | ||||
| 267 | D | 30.1 | Very low | 33 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 66% | 0.658 | 75% | 0.745 | S | S | * | * | cis | -143.2 | 153.2 | 33.9 | -81.3 | -77.2 | 0 | 0 | 0 | 110.5 | ||||
| 268 | R | 35.4 | Very low | 33.7 | Very low | 203 Ų | 203 | 134.3 Ų | 134.3 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | cis | 78.2 | 133.4 | 48.8 | -165.8 | -173.6 | 169.4 | -147 | -16 | 112 | ||||
| 269 | D | 33.1 | Very low | 33.9 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 65% | 0.647 | 74% | 0.74 | S | S | * | * | cis | -146 | -176.7 | 16.1 | -118.1 | 1.2 | 0 | 0 | 0 | 108.4 | ||||
| 270 | A | 34.6 | Very low | 34.7 | Very low | 88 Ų | 88 | 132.8 Ų | 132.8 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | cis | -172.4 | 166.4 | -18.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 271 | G | 30.7 | Very low | 35 | Very low | 84 Ų | 84 | 129.8 Ų | 129.8 | 87% | 0.866 | 73% | 0.728 | S | S | * | * | trans | 95.8 | 146.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 272 | G | 30.8 | Very low | 35 | Very low | 77 Ų | 77 | 131.8 Ų | 131.8 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | cis | 176.4 | 163.7 | -7.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 273 | S | 34.9 | Very low | 35.3 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 90% | 0.895 | 75% | 0.745 | S | S | * | * | trans | 78.7 | 116.7 | 172.3 | -60.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 274 | E | 33.9 | Very low | 36.1 | Very low | 179 Ų | 179 | 134.8 Ų | 134.8 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | trans | -100 | -171.6 | 153.5 | -60.3 | 171.1 | 97.3 | 0 | 0 | 107.7 | ||||
| 275 | L | 41.2 | Very low | 36 | Very low | 148 Ų | 148 | 128.8 Ų | 128.8 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | cis | -135.5 | -158 | 18.2 | -67.6 | 161.2 | 0 | 0 | 0 | 108 | ||||
| 276 | D | 29 | Very low | 36.1 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | cis | -152.4 | 174.5 | 5.7 | -163.7 | -163.7 | 0 | 0 | 0 | 111.8 | ||||
| 277 | S | 39.3 | Very low | 35.7 | Very low | 97 Ų | 97 | 130.8 Ų | 130.8 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | -102 | -155.4 | -176.6 | -151.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 278 | P | 52.9 | Low | 35.7 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | cis | -136.4 | 177.7 | 35.1 | 39.1 | -17.1 | 0 | 0 | 0 | 118.3 | ||||
| 279 | D | 32.1 | Very low | 35.5 | Very low | 144 Ų | 144 | 126 Ų | 126 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | -76.7 | -156.9 | 172.2 | -153.2 | 32.5 | 0 | 0 | 0 | 110.1 | ||||
| 280 | P | 50.8 | Low | 35.4 | Very low | 99 Ų | 99 | 127.2 Ų | 127.2 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | cis | -144.5 | 168.9 | 2.7 | 37.1 | -13.5 | 0 | 0 | 0 | 120.2 | ||||
| 281 | S | 33.2 | Very low | 35.3 | Very low | 81 Ų | 81 | 130.2 Ų | 130.2 | 57% | 0.566 | 79% | 0.786 | S | S | * | * | 153.3 | 146.7 | 111.1 | -65.9 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 282 | H | 32.4 | Very low | 35.5 | Very low | 180 Ų | 180 | 133.7 Ų | 133.7 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | trans | 74.4 | 107.4 | 151.1 | -59.3 | -43 | 0 | 0 | 0 | 122.7 | ||||
| 283 | R | 35 | Very low | 35.7 | Very low | 214 Ų | 214 | 141.1 Ų | 141.1 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | trans | -105.6 | 169.6 | 132.4 | -51.8 | -174.2 | 75.7 | -149 | 4.5 | 108.3 | ||||
| 284 | P | 47.4 | Very low | 35.6 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | -140.9 | -170.2 | 84.9 | 37.6 | -21.2 | 0 | 0 | 0 | 113.8 | |||||
| 285 | S | 32.9 | Very low | 35.8 | Very low | 86 Ų | 86 | 135.7 Ų | 135.7 | 60% | 0.601 | 78% | 0.776 | S | S | * | * | trans | -114.4 | 153.3 | -170.2 | 54.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 286 | L | 32.5 | Very low | 35.7 | Very low | 180 Ų | 180 | 133.2 Ų | 133.2 | 94% | 0.942 | 77% | 0.771 | S | S | * | * | trans | -123.7 | 160.4 | 148 | -72.9 | 176.8 | 0 | 0 | 0 | 109.5 | ||||
| 287 | C | 28.2 | Very low | 36.7 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | -140.1 | 179.6 | -166.2 | 59 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 288 | S | 29.7 | Very low | 37.5 | Very low | 112 Ų | 112 | 137.9 Ų | 137.9 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | 88.7 | 130.6 | -172.9 | -41.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 289 | S | 30.4 | Very low | 37.4 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | cis | -146.1 | 153 | 7.7 | -74 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 290 | N | 30.8 | Very low | 39 | Very low | 147 Ų | 147 | 139.6 Ų | 139.6 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | 7.1 | 120.4 | 159 | -71.7 | -13.5 | 0 | 0 | 0 | 120.3 | ||||
| 291 | T | 34 | Very low | 39.6 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 93% | 0.926 | 77% | 0.771 | S | S | * | * | -141.6 | 153.6 | 105.3 | 35.3 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 292 | N | 35 | Very low | 41.4 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -99 | 163.7 | -170.3 | -105 | -43.6 | 0 | 0 | 0 | 113.6 | ||||
| 293 | R | 34 | Very low | 42.4 | Very low | 234 Ų | 234 | 140.8 Ų | 140.8 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | 95.3 | 155.7 | 152.3 | -140 | 174.8 | -166.2 | -151 | 2.6 | 118 | ||||
| 294 | A | 32.1 | Very low | 44.2 | Very low | 93 Ų | 93 | 132.8 Ų | 132.8 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | trans | 70.1 | 88.9 | -167.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 295 | S | 40 | Very low | 44.9 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | cis | 74.5 | 92.4 | 32.4 | -38.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 296 | S | 38.7 | Very low | 46.7 | Very low | 95 Ų | 95 | 133 Ų | 133 | 66% | 0.664 | 74% | 0.735 | S | S | * | * | trans | 39.4 | 105.9 | 154.6 | 59.7 | 0 | 0 | 0 | 0 | 119.2 | Q298 | S296-Q298 PolarHBondContact O-N 3.4Š| ||
| 297 | L | 50.2 | Low | 48.7 | Very low | 184 Ų | 184 | 126.5 Ų | 126.5 | 96% | 0.963 | 70% | 0.704 | S | S | * | * | trans | -69.5 | 75.6 | 159 | -72.7 | 171.4 | 0 | 0 | 0 | 110.8 | K299 | L297-K299 PolarHBondContact O-N 3.2Š| ||
| 298 | Q | 55.6 | Low | 50.7 | Low | 160 Ų | 160 | 126.3 Ų | 126.3 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | trans | -69 | 122.2 | 163.6 | -72 | -164.8 | -9.9 | 0 | 0 | 108.8 | S296 L300 | S296-Q298 PolarHBondContact O-N 3.4Å; Q298-L300 PolarHBondContact O-N 3.33Å | ||
| 299 | K | 51.6 | Low | 52.5 | Low | 212 Ų | 212 | 126.7 Ų | 126.7 | 92% | 0.922 | 69% | 0.688 | S | S | * | * | trans | -74.8 | 89.1 | -173.6 | -167.6 | 168.5 | -174.1 | 171 | 0 | 109.9 | L297 | L297-K299 PolarHBondContact O-N 3.2Š| ||
| 300 | L | 65.3 | Low | 54.1 | Low | 90 Ų | 90 | 125.8 Ų | 125.8 | 47% | 0.471 | 68% | 0.681 | S | S | . | * | trans | -55.6 | 143.1 | -179.4 | -69.1 | 174.9 | 0 | 0 | 0 | 111.3 | Q298 E306 | Q298-L300 PolarHBondContact O-N 3.33Å; L300-E306 HydrophobicContact CD1-CB 4.25Å | ||
| 301 | N | 63.7 | Low | 55.2 | Low | 111 Ų | 111 | 126 Ų | 126 | 59% | 0.594 | 68% | 0.682 | S | S | * | * | trans | -66.2 | 128.3 | -178.4 | -164 | -23 | 0 | 0 | 0 | 108.9 | F303 S304 | N301-F303 PolarHBondContact O-N 2.89Å; N301-S304 VanDerWaalsContact O-CB 3.23Å; N301-S304 WeakPolarHBondContact O-CB 3.5Å; N301-S304 PolarHBondContact O-N 3.37Å | ||
| 302 | P | 70.1 | Confident | 55.9 | Low | 89 Ų | 89 | 122.9 Ų | 122.9 | 58% | 0.578 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -4.1 | -170.8 | 22.8 | -35.6 | 0 | 0 | 0 | 116 | ||
| 303 | F | 54.3 | Low | 56.6 | Low | 185 Ų | 185 | 126.5 Ų | 126.5 | 81% | 0.811 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | 9.4 | 172.1 | -58.8 | -77.4 | 0 | 0 | 0 | 113.3 | N301 | N301-F303 PolarHBondContact O-N 2.89Š|
| 304 | S | 71.3 | Confident | 57.1 | Low | 46 Ų | 46 | 121.2 Ų | 121.2 | 32% | 0.322 | 67% | 0.665 | S | S | . | * | trans | -79 | 137.2 | 173.6 | -172.3 | 0 | 0 | 0 | 0 | 111 | N301 E306 S307 L308 | N301-S304 VanDerWaalsContact O-CB 3.23Å; N301-S304 WeakPolarHBondContact O-CB 3.5Å; N301-S304 PolarHBondContact O-N 3.37Å; S304-E306 VanDerWaalsContact C-N 3.28Å; S304-E306 PolarHBondContact O-N 3.07Å; S304-S307 WeakPolarHBondContact O-CB 3.47Å; S304-S307 PolarHBondContact O-N 3.37Å; S304-L308 PolarHBondContact O-N 3.47Å | ||
| 305 | V | 63.5 | Low | 57.5 | Low | 99 Ų | 99 | 127.2 Ų | 127.2 | 60% | 0.6 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -55.7 | -43.5 | -179 | -179 | 0 | 0 | 0 | 0 | 111.4 | S307 L308 L309 | V305-S307 PolarHBondContact O-N 2.92Å; V305-L308 PolarHBondContact O-N 3.44Å; V305-L308 VanDerWaalsContact O-N 3.09Å; V305-L309 HydrophobicContact CG1-CD1 3.84Å; V305-L309 HydrophobicContact CG1-CG 4.26Å; V305-L309 WeakPolarHBondContact O-CG 3.43Å; V305-L309 PolarHBondContact O-N 2.95Å |
| 306 | E | 69.9 | Low | 57.6 | Low | 122 Ų | 122 | 133.9 Ų | 133.9 | 57% | 0.57 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -54 | -37.8 | 176.4 | -135.9 | 66.9 | -164.6 | 0 | 0 | 113 | L300 S304 S310 | L300-E306 HydrophobicContact CD1-CB 4.25Å; S304-E306 VanDerWaalsContact C-N 3.28Å; S304-E306 PolarHBondContact O-N 3.07Å; E306-S310 WeakPolarHBondContact O-CB 3.34Å; E306-S310 PolarHBondContact O-N 2.81Å; E306-S310 VanDerWaalsContact O-N 3.15Å; E306-S310 PolarHBondContact O-OG 3.06Å |
| 307 | S | 74.4 | Confident | 57.7 | Low | 43 Ų | 43 | 135.5 Ų | 135.5 | 30% | 0.301 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -75.5 | -31.5 | -178.3 | -160.5 | 0 | 0 | 0 | 0 | 112.2 | S304 V305 | S304-S307 WeakPolarHBondContact O-CB 3.47Å; S304-S307 PolarHBondContact O-N 3.37Å; V305-S307 PolarHBondContact O-N 2.92Å |
| 308 | L | 69.8 | Low | 57.7 | Low | 111 Ų | 111 | 132.4 Ų | 132.4 | 58% | 0.581 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -77.3 | -36.1 | 177.4 | -62.8 | 172.1 | 0 | 0 | 0 | 111.8 | S304 V305 S310 S312 | S304-L308 PolarHBondContact O-N 3.47Å; V305-L308 PolarHBondContact O-N 3.44Å; V305-L308 VanDerWaalsContact O-N 3.09Å; L308-S310 VanDerWaalsContact C-N 3.34Å; L308-S312 PolarHBondContact O-OG 3.1Å |
| 309 | L | 66.8 | Low | 56.7 | Low | 120 Ų | 120 | 129.9 Ų | 129.9 | 63% | 0.628 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -71 | -30.5 | 175.6 | -66.6 | 174.8 | 0 | 0 | 0 | 112.2 | V305 D311 | V305-L309 HydrophobicContact CG1-CD1 3.84Å; V305-L309 HydrophobicContact CG1-CG 4.26Å; V305-L309 WeakPolarHBondContact O-CG 3.43Å; V305-L309 PolarHBondContact O-N 2.95Å; L309-D311 PolarHBondContact O-N 3.43Å |
| 310 | S | 64.9 | Low | 56 | Low | 94 Ų | 94 | 124.5 Ų | 124.5 | 66% | 0.657 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -66.3 | -30.6 | -178.4 | -67.2 | 0 | 0 | 0 | 0 | 114.7 | E306 L308 S312 | E306-S310 WeakPolarHBondContact O-CB 3.34Å; E306-S310 PolarHBondContact O-N 2.81Å; E306-S310 VanDerWaalsContact O-N 3.15Å; E306-S310 PolarHBondContact O-OG 3.06Å; L308-S310 VanDerWaalsContact C-N 3.34Å; S310-S312 VanDerWaalsContact C-N 3.32Å; S310-S312 PolarHBondContact O-N 3.04Å |
| 311 | D | 54.1 | Low | 55.1 | Low | 150 Ų | 150 | 128.2 Ų | 128.2 | 80% | 0.802 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -4.4 | -173.4 | -153.2 | 19.8 | 0 | 0 | 0 | 113.5 | L309 R313 | L309-D311 PolarHBondContact O-N 3.43Å; D311-R313 PolarHBondContact O-N 3.21Å |
| 312 | S | 47.8 | Very low | 54.3 | Low | 87 Ų | 87 | 128.7 Ų | 128.7 | 61% | 0.608 | 70% | 0.7 | S | S | * | * | trans | -87.9 | 48.1 | -165.3 | -67.7 | 0 | 0 | 0 | 0 | 115.5 | L308 S310 | L308-S312 PolarHBondContact O-OG 3.1Å; S310-S312 VanDerWaalsContact C-N 3.32Å; S310-S312 PolarHBondContact O-N 3.04Å | ||
| 313 | R | 49.8 | Very low | 53 | Low | 231 Ų | 231 | 129.8 Ų | 129.8 | 87% | 0.872 | 71% | 0.709 | S | S | * | * | trans | -143.2 | 87.6 | 175 | -70.2 | -166.2 | 179.8 | -163.3 | 0.3 | 115.5 | D311 R315 | D311-R313 PolarHBondContact O-N 3.21Å; R313-R315 PolarHBondContact O-N 2.87Å; R313-R315 VanDerWaalsContact O-N 3.15Å | ||
| 314 | P | 44.9 | Very low | 52.3 | Low | 124 Ų | 124 | 126.3 Ų | 126.3 | 81% | 0.805 | 71% | 0.708 | S | S | * | * | trans | -74.1 | 102.2 | 172.5 | 29.9 | -34 | 0 | 0 | 0 | 112.3 | R316 | P314-R316 PolarHBondContact O-N 3.21Å; P314-R316 VanDerWaalsContact O-N 3.16Å | ||
| 315 | R | 40.6 | Very low | 50.9 | Low | 218 Ų | 218 | 135.3 Ų | 135.3 | 82% | 0.823 | 74% | 0.735 | S | S | * | * | trans | -77.5 | 94.4 | 179.2 | -166.3 | -176.5 | -161 | -90 | 7.9 | 111.7 | R313 | R313-R315 PolarHBondContact O-N 2.87Å; R313-R315 VanDerWaalsContact O-N 3.15Å | ||
| 316 | R | 42.4 | Very low | 50.1 | Low | 240 Ų | 240 | 136.2 Ų | 136.2 | 91% | 0.906 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 133.7 | 169.6 | -80.2 | -178.5 | 167 | 138 | -3.8 | 111.3 | P314 | P314-R316 PolarHBondContact O-N 3.21Å; P314-R316 VanDerWaalsContact O-N 3.16Å |
| 317 | N | 41.3 | Very low | 49.2 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 69% | 0.69 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 146.5 | 161.7 | -72.3 | -18.7 | 0 | 0 | 0 | 109.9 | ||
| 318 | P | 49 | Very low | 47.8 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 173.9 | 179 | 37.9 | -35.6 | 0 | 0 | 0 | 113.9 | ||
| 319 | A | 35.6 | Very low | 46.7 | Very low | 107 Ų | 107 | 142.2 Ų | 142.2 | 88% | 0.884 | 79% | 0.786 | S | S | * | * | trans | 73.6 | 140.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 320 | A | 36.7 | Very low | 45.9 | Very low | 98 Ų | 98 | 146.6 Ų | 146.6 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | cis | -135 | 163.3 | 1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 321 | L | 45.3 | Very low | 45.4 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | trans | -95.4 | 165 | 174.3 | -68.5 | 169.3 | 0 | 0 | 0 | 110.9 | ||||
| 322 | P | 48.6 | Very low | 45.1 | Very low | 122 Ų | 122 | 147.4 Ų | 147.4 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | -137 | 152.3 | 94.2 | 37.4 | -26.7 | 0 | 0 | 0 | 115.8 | |||||
| 323 | S | 42.3 | Very low | 45.3 | Very low | 111 Ų | 111 | 152.6 Ų | 152.6 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | 15.6 | 128.4 | 150.6 | -152.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 324 | S | 39.9 | Very low | 45.8 | Very low | 113 Ų | 113 | 148.9 Ų | 148.9 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | cis | -163 | -164.5 | 47.1 | 61.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 325 | R | 40.9 | Very low | 46.2 | Very low | 235 Ų | 235 | 150.5 Ų | 150.5 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | trans | -94.8 | 175.4 | -166.6 | -59.6 | -174.6 | -173.4 | -153.6 | 2.6 | 112.4 | ||||
| 326 | P | 47.9 | Very low | 46.9 | Very low | 118 Ų | 118 | 149.6 Ų | 149.6 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | cis | -132.1 | 178.9 | 5.2 | 42.2 | -25.5 | 0 | 0 | 0 | 116.6 | ||||
| 327 | L | 50.3 | Low | 47.5 | Very low | 175 Ų | 175 | 143.5 Ų | 143.5 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | trans | -84.2 | 125.4 | 168.9 | -79.6 | 76.3 | 0 | 0 | 0 | 111.8 | ||||
| 328 | I | 45.7 | Very low | 48.1 | Very low | 171 Ų | 171 | 144.9 Ų | 144.9 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -160 | 149.2 | 149.1 | -154.9 | 62.7 | 0 | 0 | 0 | 106.1 | ||||
| 329 | G | 46.2 | Very low | 48.2 | Very low | 55 Ų | 55 | 145 Ų | 145 | 57% | 0.567 | 81% | 0.813 | S | S | * | * | cis | 153.2 | 100.6 | -6.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 330 | K | 49.4 | Very low | 49.2 | Very low | 212 Ų | 212 | 147.6 Ų | 147.6 | 92% | 0.922 | 81% | 0.807 | S | S | * | * | S | Bend | trans | 67.9 | 158.8 | -166.7 | -59 | -171.3 | 175.1 | -176.2 | 0 | 114.5 | ||
| 331 | G | 53.8 | Low | 50.1 | Low | 79 Ų | 79 | 149 Ų | 149 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 119.8 | -164.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 332 | H | 49.1 | Very low | 50.5 | Low | 182 Ų | 182 | 148.6 Ų | 148.6 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 124.8 | 155.4 | -90.7 | -103.1 | 0 | 0 | 0 | 108.9 | L334 | H332-L334 PolarHBondContact O-N 3.21Š|
| 333 | F | 52.3 | Low | 50.3 | Low | 196 Ų | 196 | 145.7 Ų | 145.7 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 131.9 | 158.2 | -89 | -100.4 | 0 | 0 | 0 | 108 | L335 | F333-L335 VanDerWaalsContact C-N 3.27Å; F333-L335 PolarHBondContact O-N 3.49Å |
| 334 | L | 58.8 | Low | 50.5 | Low | 154 Ų | 154 | 150.5 Ų | 150.5 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | trans | -69.7 | 90.7 | 167.5 | -71.4 | 174.9 | 0 | 0 | 0 | 108.4 | H332 Y336 | H332-L334 PolarHBondContact O-N 3.21Å; L334-Y336 PolarHBondContact O-N 3.34Å | ||
| 335 | L | 53.7 | Low | 51.1 | Low | 158 Ų | 158 | 152.6 Ų | 152.6 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | trans | -65.9 | 101.9 | 164.5 | -136.7 | 75.6 | 0 | 0 | 0 | 106.7 | F333 | F333-L335 VanDerWaalsContact C-N 3.27Å; F333-L335 PolarHBondContact O-N 3.49Å | ||
| 336 | Y | 55.1 | Low | 51.6 | Low | 199 Ų | 199 | 146.9 Ų | 146.9 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | trans | -54.4 | 129.1 | 167.7 | -76.7 | -95.2 | 0 | 0 | 0 | 107.6 | L334 I338 | L334-Y336 PolarHBondContact O-N 3.34Å; Y336-I338 PolarHBondContact O-N 2.92Å; Y336-I338 VanDerWaalsContact O-N 3.11Å | ||
| 337 | P | 54.9 | Low | 51.7 | Low | 111 Ų | 111 | 146.6 Ų | 146.6 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | trans | -59.7 | 122.5 | 176.6 | 25.1 | -32.8 | 0 | 0 | 0 | 107.8 | T339 | P337-T339 PolarHBondContact O-N 3.16Š| ||
| 338 | I | 55.6 | Low | 51.2 | Low | 159 Ų | 159 | 147.2 Ų | 147.2 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | trans | -64.2 | 102 | 175.5 | -61.5 | 174.3 | 0 | 0 | 0 | 106.1 | Y336 Q340 | Y336-I338 PolarHBondContact O-N 2.92Å; Y336-I338 VanDerWaalsContact O-N 3.11Å; I338-Q340 PolarHBondContact O-N 3.36Å | ||
| 339 | T | 49.9 | Very low | 50.9 | Low | 122 Ų | 122 | 145.2 Ų | 145.2 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -64 | 103.7 | 176.7 | 50.3 | 0 | 0 | 0 | 0 | 107.5 | P337 | P337-T339 PolarHBondContact O-N 3.16Š| ||
| 340 | Q | 57.2 | Low | 50.4 | Low | 161 Ų | 161 | 147.2 Ų | 147.2 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -50.2 | 137 | 167.2 | -63.7 | 175.5 | -7 | 0 | 0 | 107.8 | I338 L342 | I338-Q340 PolarHBondContact O-N 3.36Å; Q340-L342 PolarHBondContact O-N 3.21Å | ||
| 341 | P | 55.3 | Low | 49.9 | Very low | 128 Ų | 128 | 145.1 Ų | 145.1 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | trans | -62.3 | 108.7 | 178 | 25.5 | -32.8 | 0 | 0 | 0 | 108.5 | G343 | P341-G343 PolarHBondContact O-N 2.86Š| ||
| 342 | L | 53.6 | Low | 49.3 | Very low | 159 Ų | 159 | 150.8 Ų | 150.8 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | -54.8 | 129.5 | 172.1 | -94 | 65.6 | 0 | 0 | 0 | 107.9 | Q340 F344 | Q340-L342 PolarHBondContact O-N 3.21Å; L342-F344 PolarHBondContact O-N 2.73Å | ||
| 343 | G | 44.4 | Very low | 48.5 | Very low | 62 Ų | 62 | 148.7 Ų | 148.7 | 64% | 0.639 | 80% | 0.802 | S | S | * | * | trans | -56.7 | 139.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111 | P341 I345 | P341-G343 PolarHBondContact O-N 2.86Å; G343-I345 PolarHBondContact O-N 2.83Å | ||
| 344 | F | 46.2 | Very low | 47.7 | Very low | 211 Ų | 211 | 145 Ų | 145 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | trans | -60.6 | 103.6 | 177.9 | -72.8 | -91.3 | 0 | 0 | 0 | 110.3 | L342 V346 | L342-F344 PolarHBondContact O-N 2.73Å; F344-V346 PolarHBondContact O-N 3.05Å; F344-V346 VanDerWaalsContact O-N 3.11Å | ||
| 345 | I | 53.5 | Low | 46.5 | Very low | 157 Ų | 157 | 143.8 Ų | 143.8 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | trans | -71.9 | 104.4 | 171.2 | -66 | 173.3 | 0 | 0 | 0 | 107.5 | G343 P347 | G343-I345 PolarHBondContact O-N 2.83Å; I345-P347 WeakPolarHBondContact O-CD 3.39Å | ||
| 346 | V | 51.6 | Low | 45.5 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 70% | 0.703 | 81% | 0.806 | S | S | * | * | trans | -72.2 | 119.7 | 170.2 | 176.7 | 0 | 0 | 0 | 0 | 108.5 | F344 Q348 | F344-V346 PolarHBondContact O-N 3.05Å; F344-V346 VanDerWaalsContact O-N 3.11Å; V346-Q348 PolarHBondContact O-N 2.82Å | ||
| 347 | P | 48.2 | Very low | 44.5 | Very low | 112 Ų | 112 | 136.8 Ų | 136.8 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -70.2 | 114.6 | 175 | -16.1 | 31.4 | 0 | 0 | 0 | 110 | I345 T349 | I345-P347 WeakPolarHBondContact O-CD 3.39Å; P347-T349 PolarHBondContact O-N 2.81Å | ||
| 348 | Q | 40.1 | Very low | 43.4 | Very low | 187 Ų | 187 | 135.7 Ų | 135.7 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -75 | 124.6 | 168.5 | -69.5 | -166.8 | 42.2 | 0 | 0 | 109.8 | V346 A350 | V346-Q348 PolarHBondContact O-N 2.82Å; Q348-A350 PolarHBondContact O-N 3.24Å; Q348-A350 VanDerWaalsContact O-N 3.07Å | ||
| 349 | T | 39.1 | Very low | 42.3 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -76.3 | 90.9 | 176.6 | 37.4 | 0 | 0 | 0 | 0 | 110.9 | P347 L351 | P347-T349 PolarHBondContact O-N 2.81Å; T349-L351 PolarHBondContact O-N 2.82Å | ||
| 350 | A | 37.3 | Very low | 41.5 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -63.7 | 106.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q348 K352 | Q348-A350 PolarHBondContact O-N 3.24Å; Q348-A350 VanDerWaalsContact O-N 3.07Å; A350-K352 PolarHBondContact O-N 2.86Å; A350-K352 VanDerWaalsContact O-N 3.15Å | ||
| 351 | L | 39.3 | Very low | 40.4 | Very low | 168 Ų | 168 | 132 Ų | 132 | 88% | 0.88 | 81% | 0.809 | S | S | * | * | trans | -65.3 | 111.5 | 174.4 | -66.7 | 176 | 0 | 0 | 0 | 109.5 | T349 | T349-L351 PolarHBondContact O-N 2.82Š| ||
| 352 | K | 39.5 | Very low | 39.5 | Very low | 199 Ų | 199 | 129.1 Ų | 129.1 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | trans | -86.1 | 125.1 | 178 | -173.5 | 162.7 | -177.2 | 172.3 | 0 | 110.5 | A350 | A350-K352 PolarHBondContact O-N 2.86Å; A350-K352 VanDerWaalsContact O-N 3.15Å | ||
| 353 | T | 32.7 | Very low | 38.6 | Very low | 138 Ų | 138 | 129.7 Ų | 129.7 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | trans | -68.4 | 138 | 174.7 | 46.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 354 | S | 35.1 | Very low | 38.4 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -135.4 | 119.4 | 167 | 50.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 355 | S | 33.5 | Very low | 39.1 | Very low | 127 Ų | 127 | 126.4 Ų | 126.4 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -90 | 123.9 | -179.1 | 52.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 356 | A | 33.7 | Very low | 38.3 | Very low | 105 Ų | 105 | 123.3 Ų | 123.3 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | trans | -146.3 | 149.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 357 | A | 33.4 | Very low | 37.5 | Very low | 106 Ų | 106 | 124.5 Ų | 124.5 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | trans | -136.1 | 143.9 | -167.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 358 | A | 33.4 | Very low | 37.1 | Very low | 87 Ų | 87 | 129.2 Ų | 129.2 | 72% | 0.719 | 81% | 0.805 | S | S | * | * | trans | -173.9 | 153.6 | 154.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 359 | S | 31.9 | Very low | 36.8 | Very low | 106 Ų | 106 | 126 Ų | 126 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | 58.4 | 124.1 | 173.1 | 41.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 360 | C | 33 | Very low | 36.9 | Very low | 105 Ų | 105 | 126.5 Ų | 126.5 | 71% | 0.709 | 79% | 0.788 | S | S | * | * | 62.2 | 126.5 | 50.3 | 97 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 361 | D | 33.8 | Very low | 36.8 | Very low | 154 Ų | 154 | 127.5 Ų | 127.5 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | cis | -129.8 | 178.1 | 5.6 | -62 | -75.3 | 0 | 0 | 0 | 108.8 | ||||
| 362 | G | 37 | Very low | 36.5 | Very low | 68 Ų | 68 | 122.8 Ų | 122.8 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | cis | 128.2 | 81.4 | -0.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 363 | D | 33.1 | Very low | 36.3 | Very low | 170 Ų | 170 | 120.5 Ų | 120.5 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | -166.5 | -178 | 147.9 | -133.1 | -48.3 | 0 | 0 | 0 | 114.2 | ||||
| 364 | A | 40.8 | Very low | 36.4 | Very low | 82 Ų | 82 | 124.6 Ų | 124.6 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | trans | -98.4 | 173.8 | -151.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 365 | P | 60.3 | Low | 36.2 | Very low | 123 Ų | 123 | 124.8 Ų | 124.8 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | -117.2 | -166.1 | -168.5 | 44.4 | -34 | 0 | 0 | 0 | 115.8 | ||||
| 366 | A | 38.4 | Very low | 36.2 | Very low | 92 Ų | 92 | 123.7 Ų | 123.7 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | trans | 80.9 | 160.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 367 | D | 35.2 | Very low | 36.2 | Very low | 141 Ų | 141 | 122.7 Ų | 122.7 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | cis | -159.6 | 178 | 5.5 | -153.1 | -20.1 | 0 | 0 | 0 | 111 | ||||
| 368 | R | 39.2 | Very low | 36.3 | Very low | 211 Ų | 211 | 123.3 Ų | 123.3 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | 73 | 158.8 | 153.5 | -69.6 | 174.9 | 128.1 | 179.3 | -0.5 | 121.2 | ||||
| 369 | D | 33.9 | Very low | 36.3 | Very low | 119 Ų | 119 | 123.8 Ų | 123.8 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | cis | -172.1 | 170.3 | -34.6 | -155.9 | -5.8 | 0 | 0 | 0 | 111.2 | ||||
| 370 | Q | 39.9 | Very low | 36.3 | Very low | 140 Ų | 140 | 126.2 Ų | 126.2 | 65% | 0.654 | 77% | 0.767 | S | S | * | * | trans | 75.5 | 134.2 | 143.7 | -90.5 | 164.5 | 69.5 | 0 | 0 | 124 | ||||
| 371 | S | 34.9 | Very low | 36.4 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | 67.7 | 143.9 | 158.9 | 65.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 372 | G | 33.6 | Very low | 37.4 | Very low | 69 Ų | 69 | 125.6 Ų | 125.6 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | cis | 101.1 | 124.4 | 20.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 373 | V | 35.9 | Very low | 37.2 | Very low | 151 Ų | 151 | 125.6 Ų | 125.6 | 92% | 0.915 | 77% | 0.773 | S | S | * | * | -154.1 | 164 | 63.2 | 162.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 374 | R | 35.5 | Very low | 37.1 | Very low | 225 Ų | 225 | 123.5 Ų | 123.5 | 85% | 0.849 | 77% | 0.771 | S | S | * | * | trans | -85.5 | 151 | 176.4 | -66.2 | 175.2 | 170.7 | 177.1 | -3.7 | 113.8 | ||||
| 375 | C | 29.3 | Very low | 36.7 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | -171 | 139 | 128 | -97.8 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 376 | S | 34 | Very low | 35.5 | Very low | 104 Ų | 104 | 130.3 Ų | 130.3 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | cis | 75.4 | 125 | 36.2 | -54.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 377 | A | 34.8 | Very low | 35.1 | Very low | 84 Ų | 84 | 131.6 Ų | 131.6 | 69% | 0.694 | 78% | 0.781 | S | S | * | * | cis | -163.4 | 179.1 | -0.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 378 | S | 34.4 | Very low | 35.1 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | 73.3 | 152 | 155 | -65.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 379 | S | 32.9 | Very low | 35.8 | Very low | 98 Ų | 98 | 125.5 Ų | 125.5 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | cis | -164.9 | 162.1 | -3.8 | 37 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 380 | N | 32.6 | Very low | 35.9 | Very low | 157 Ų | 157 | 127.1 Ų | 127.1 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | 70.1 | 105.1 | 154.6 | -65.6 | 5.1 | 0 | 0 | 0 | 121.8 | ||||
| 381 | S | 35.3 | Very low | 35.7 | Very low | 112 Ų | 112 | 124.2 Ų | 124.2 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -77.9 | -177.4 | 138.6 | -38.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 382 | P | 54.2 | Low | 35.7 | Very low | 133 Ų | 133 | 127 Ų | 127 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | cis | -121.7 | -151.3 | -1.1 | 46.9 | -31.1 | 0 | 0 | 0 | 110.8 | ||||
| 383 | G | 32.1 | Very low | 35.8 | Very low | 69 Ų | 69 | 131.2 Ų | 131.2 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | cis | -178.7 | -169.5 | 8.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 384 | C | 32.3 | Very low | 35.7 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | -99.9 | 157.7 | -169.6 | -38.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 385 | R | 31.4 | Very low | 35.5 | Very low | 248 Ų | 248 | 124.2 Ų | 124.2 | 94% | 0.936 | 78% | 0.776 | S | S | * | * | -173.2 | 169 | 121.5 | -103.1 | 163.2 | -172.7 | -90.5 | -0.9 | 114.8 | |||||
| 386 | S | 34.9 | Very low | 35.7 | Very low | 100 Ų | 100 | 127.4 Ų | 127.4 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | -91 | 168 | -172.9 | 55.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 387 | S | 31.5 | Very low | 35.6 | Very low | 118 Ų | 118 | 129 Ų | 129 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | 178.4 | 159.7 | 116.5 | -89.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 388 | S | 35 | Very low | 35.5 | Very low | 102 Ų | 102 | 128 Ų | 128 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | -87 | 174.2 | 169 | -159.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 389 | P | 54 | Low | 35.3 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | -147 | 174.2 | 104.3 | 39.8 | -24.5 | 0 | 0 | 0 | 116.8 | |||||
| 390 | D | 35.3 | Very low | 35.3 | Very low | 153 Ų | 153 | 132.9 Ų | 132.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -80.7 | 170.2 | -177 | -75 | -91.6 | 0 | 0 | 0 | 117.2 | ||||
| 391 | A | 36 | Very low | 35.4 | Very low | 79 Ų | 79 | 131.5 Ų | 131.5 | 65% | 0.653 | 77% | 0.769 | S | S | * | * | 119.8 | 116.6 | 125.1 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 392 | Q | 34.7 | Very low | 35.3 | Very low | 175 Ų | 175 | 134.1 Ų | 134.1 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | 64.9 | 154.1 | 126.7 | -65.9 | -168.3 | 36.1 | 0 | 0 | 120.5 | |||||
| 393 | K | 36 | Very low | 34.2 | Very low | 158 Ų | 158 | 133 Ų | 133 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | cis | 179.8 | 151.6 | -11.4 | 164.9 | -172.6 | 174.8 | -165.5 | 0 | 109.6 | ||||
| 394 | L | 33.1 | Very low | 34.6 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | 66.5 | 156.4 | 175.3 | -68.3 | 147.4 | 0 | 0 | 0 | 116.4 | ||||
| 395 | G | 31 | Very low | 35.5 | Very low | 67 Ų | 67 | 135 Ų | 135 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | cis | 168.6 | 142.2 | -14.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 396 | Q | 34.5 | Very low | 35.9 | Very low | 189 Ų | 189 | 128.4 Ų | 128.4 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | trans | 73.8 | 138.9 | 145.6 | -122 | -178.3 | 25.1 | 0 | 0 | 124.2 | ||||
| 397 | V | 31.6 | Very low | 35.9 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | trans | 66.8 | 144.3 | 162.1 | -165.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 398 | G | 31.8 | Very low | 36 | Very low | 63 Ų | 63 | 134.3 Ų | 134.3 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | cis | 162.8 | 170.7 | -9.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 399 | Q | 30.9 | Very low | 36 | Very low | 166 Ų | 166 | 133 Ų | 133 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | 74.7 | 119.6 | 173.7 | -59.5 | -176.6 | -84.8 | 0 | 0 | 117.3 | ||||
| 400 | E | 33.3 | Very low | 34.9 | Very low | 155 Ų | 155 | 136.9 Ų | 136.9 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | 86.3 | 146.3 | 91.8 | -72.7 | -174.1 | 88.8 | 0 | 0 | 113.9 | |||||
| 401 | E | 34 | Very low | 34.8 | Very low | 127 Ų | 127 | 133.1 Ų | 133.1 | 59% | 0.593 | 76% | 0.755 | S | S | * | * | cis | -164.4 | 164.1 | -4.1 | -120.6 | -82.6 | 69.1 | 0 | 0 | 109.9 | ||||
| 402 | K | 33.7 | Very low | 34.8 | Very low | 167 Ų | 167 | 135.3 Ų | 135.3 | 73% | 0.726 | 77% | 0.766 | S | S | * | * | trans | 64.4 | 154.6 | 161 | -67.2 | 157.7 | -155.4 | 175.2 | 0 | 119.2 | ||||
| 403 | S | 31.8 | Very low | 34.5 | Very low | 109 Ų | 109 | 130.7 Ų | 130.7 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | cis | -164.3 | 162.5 | -19.6 | 51.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 404 | S | 39.2 | Very low | 34.5 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -68.7 | 178.5 | 178.3 | -37.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 405 | P | 52.5 | Low | 35.6 | Very low | 134 Ų | 134 | 129.3 Ų | 129.3 | 87% | 0.87 | 77% | 0.765 | S | S | * | * | -129.7 | 179.1 | 109.3 | 38.7 | -33.5 | 0 | 0 | 0 | 113.7 | |||||
| 406 | S | 38 | Very low | 35.6 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | -155.1 | 154.6 | -169.1 | 61.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 407 | R | 35.9 | Very low | 35.5 | Very low | 242 Ų | 242 | 129.2 Ų | 129.2 | 91% | 0.913 | 76% | 0.764 | S | S | * | * | trans | 57.8 | 117 | 139.7 | -173.8 | -169 | -173 | -166.9 | 3.2 | 121.2 | ||||
| 408 | A | 33.7 | Very low | 35.6 | Very low | 99 Ų | 99 | 126.5 Ų | 126.5 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | -180 | 166.7 | 137.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 409 | A | 35.6 | Very low | 35.6 | Very low | 75 Ų | 75 | 130.6 Ų | 130.6 | 62% | 0.62 | 76% | 0.761 | S | S | * | * | cis | -174.8 | 166.8 | -40.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 410 | F | 29.9 | Very low | 35.6 | Very low | 205 Ų | 205 | 128.4 Ų | 128.4 | 90% | 0.899 | 76% | 0.763 | S | S | * | * | trans | 66.2 | 160.8 | 172.1 | -61.4 | -91.7 | 0 | 0 | 0 | 117.9 | ||||
| 411 | A | 34.2 | Very low | 35.7 | Very low | 74 Ų | 74 | 125.6 Ų | 125.6 | 61% | 0.612 | 76% | 0.76 | S | S | * | * | cis | -169.6 | 160.8 | -36 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 412 | S | 34.7 | Very low | 35.6 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | 51.6 | 134.7 | 151.7 | 59.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 413 | G | 29.3 | Very low | 35.6 | Very low | 79 Ų | 79 | 125.9 Ų | 125.9 | 81% | 0.814 | 78% | 0.777 | S | S | * | * | trans | 138.6 | 112.4 | 147 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 414 | Q | 36.3 | Very low | 35.7 | Very low | 191 Ų | 191 | 126 Ų | 126 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | trans | -96.3 | 172 | 147.2 | -92.6 | -167 | -3.1 | 0 | 0 | 108.1 | ||||
| 415 | P | 55.1 | Low | 35.6 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | cis | -141.8 | -160.6 | 22.8 | 41.8 | -20.4 | 0 | 0 | 0 | 115.7 | ||||
| 416 | N | 32.5 | Very low | 34.8 | Very low | 147 Ų | 147 | 130.7 Ų | 130.7 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | 74.7 | 155.6 | 165.4 | -60.2 | -21.3 | 0 | 0 | 0 | 118.2 | ||||
| 417 | S | 32.1 | Very low | 34.6 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | cis | -169.5 | 169.6 | -37.6 | 56.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 418 | A | 32 | Very low | 34.8 | Very low | 80 Ų | 80 | 128.5 Ų | 128.5 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | trans | 75.1 | 119.7 | 151.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 419 | I | 31.9 | Very low | 35.1 | Very low | 150 Ų | 150 | 128.9 Ų | 128.9 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | 74.2 | 104.2 | 134.4 | -57.2 | 166.1 | 0 | 0 | 0 | 120.3 | ||||
| 420 | C | 31.8 | Very low | 35.8 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | -167.6 | 124.7 | 111.7 | -93.9 | 0 | 0 | 0 | 0 | 106.3 | |||||
| 421 | S | 34.6 | Very low | 36.1 | Very low | 97 Ų | 97 | 126.8 Ų | 126.8 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | 64.6 | 129.6 | 55.1 | -55.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 422 | E | 33 | Very low | 36.3 | Very low | 184 Ų | 184 | 131.4 Ų | 131.4 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | cis | -169.1 | 152.9 | -13.9 | -170.7 | 179.7 | 118.3 | 0 | 0 | 107.5 | ||||
| 423 | S | 34.3 | Very low | 36.5 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | trans | 161.9 | 145.1 | 138.1 | -167.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 424 | T | 33.6 | Very low | 36.9 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 68% | 0.681 | 76% | 0.756 | S | S | * | * | trans | -112.9 | 144 | -175.3 | -62.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 425 | F | 36.3 | Very low | 37 | Very low | 199 Ų | 199 | 131.8 Ų | 131.8 | 87% | 0.873 | 75% | 0.746 | S | S | * | * | trans | -146.1 | 96.4 | 152.8 | -128 | -98.1 | 0 | 0 | 0 | 107.2 | ||||
| 426 | E | 36 | Very low | 36 | Very low | 139 Ų | 139 | 135.2 Ų | 135.2 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | 81.6 | 128.9 | 86.6 | -89.4 | -58.9 | 152.8 | 0 | 0 | 113.6 | |||||
| 427 | L | 34.2 | Very low | 36.2 | Very low | 150 Ų | 150 | 134.8 Ų | 134.8 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | -137.3 | 95.2 | -166.5 | -172.3 | 137.5 | 0 | 0 | 0 | 109.5 | T429 | L427-T429 PolarHBondContact O-N 3.41Š| ||
| 428 | I | 39.2 | Very low | 36.4 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | trans | -83.4 | 114.2 | -169.9 | -58.6 | 175.2 | 0 | 0 | 0 | 110.9 | ||||
| 429 | T | 40.4 | Very low | 36.9 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 66% | 0.656 | 75% | 0.745 | S | S | * | * | trans | -103.3 | 131.1 | 156.3 | 51.3 | 0 | 0 | 0 | 0 | 109.9 | L427 | L427-T429 PolarHBondContact O-N 3.41Š| ||
| 430 | P | 51.1 | Low | 37.3 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 80% | 0.799 | 74% | 0.735 | S | S | * | * | trans | -76.6 | 140.7 | 171 | 31.9 | -32.5 | 0 | 0 | 0 | 110.9 | ||||
| 431 | V | 36.2 | Very low | 37.8 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | trans | -118.3 | 133 | 166.5 | 169 | 0 | 0 | 0 | 0 | 107 | T433 | V431-T433 HydrophobicContact CG1-CG2 3.73Š| ||
| 432 | D | 38.6 | Very low | 37.8 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 91% | 0.909 | 73% | 0.732 | S | S | * | * | trans | -115.6 | 132.3 | 168.6 | -111.5 | -51.8 | 0 | 0 | 0 | 108.7 | ||||
| 433 | T | 39.1 | Very low | 38.2 | Very low | 111 Ų | 111 | 137 Ų | 137 | 68% | 0.681 | 72% | 0.723 | S | S | * | * | trans | -144.7 | 112.3 | -174.5 | 46.6 | 0 | 0 | 0 | 0 | 112.3 | V431 | V431-T433 HydrophobicContact CG1-CG2 3.73Š| ||
| 434 | D | 37.3 | Very low | 38.4 | Very low | 133 Ų | 133 | 138.7 Ų | 138.7 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | trans | 176.1 | 149.9 | 161.6 | -101.6 | -33.4 | 0 | 0 | 0 | 107.7 | ||||
| 435 | K | 37.8 | Very low | 39.6 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 69% | 0.687 | 72% | 0.719 | S | S | * | * | cis | -142.6 | 144.7 | 0.4 | -115.2 | 130.8 | -167.8 | 150.1 | 0 | 107.1 | ||||
| 436 | K | 33.5 | Very low | 39.8 | Very low | 171 Ų | 171 | 136.5 Ų | 136.5 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | 60 | 129.3 | 96.2 | -122.2 | -159.4 | 169.9 | -151.1 | 0 | 112.7 | |||||
| 437 | E | 37.3 | Very low | 41 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 64% | 0.64 | 71% | 0.712 | S | S | * | * | cis | -145.5 | 145.3 | 31.8 | -90.9 | -177.8 | -179.2 | 0 | 0 | 112 | ||||
| 438 | H | 35.5 | Very low | 41.4 | Very low | 149 Ų | 149 | 134.1 Ų | 134.1 | 69% | 0.69 | 71% | 0.712 | S | S | * | * | 69.4 | 133.2 | 95.5 | -128 | -134.7 | 0 | 0 | 0 | 112.5 | E440 | H438-E440 IonicContact CE1-OE2 3.68Å; H438-E440 IonicContact NE2-OE2 3.97Å | |||
| 439 | L | 43 | Very low | 41.4 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | cis | -179.1 | 147.3 | 47.3 | 172.3 | 93.7 | 0 | 0 | 0 | 108.5 | ||||
| 440 | E | 40.9 | Very low | 41.4 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 56% | 0.561 | 72% | 0.721 | S | S | * | * | cis | -167.9 | 164.6 | -24.8 | -103.5 | -162.4 | 87.5 | 0 | 0 | 110.6 | H438 | H438-E440 IonicContact CE1-OE2 3.68Å; H438-E440 IonicContact NE2-OE2 3.97Å | ||
| 441 | H | 42.2 | Very low | 40.5 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 66% | 0.662 | 72% | 0.72 | S | S | * | * | trans | 70.6 | 152 | 156.1 | -81.9 | 74 | 0 | 0 | 0 | 121.5 | ||||
| 442 | T | 34.6 | Very low | 41.6 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 76% | 0.755 | 72% | 0.722 | S | S | * | * | cis | -148.7 | 125.1 | 29.6 | -51.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 443 | V | 41.4 | Very low | 41.5 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 66% | 0.661 | 71% | 0.713 | S | S | * | * | trans | 41 | 125.6 | 143.3 | -175.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 444 | N | 37.2 | Very low | 41.4 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 80% | 0.802 | 72% | 0.715 | S | S | * | * | 80.1 | 160.9 | 58.5 | -101.9 | 7.4 | 0 | 0 | 0 | 116 | |||||
| 445 | P | 59.9 | Low | 41.7 | Very low | 94 Ų | 94 | 134.5 Ų | 134.5 | 61% | 0.61 | 72% | 0.719 | S | S | * | * | -146.5 | 174.5 | -55.7 | 41 | -21.5 | 0 | 0 | 0 | 117.5 | |||||
| 446 | E | 40.4 | Very low | 41.9 | Very low | 171 Ų | 171 | 134.3 Ų | 134.3 | 80% | 0.799 | 73% | 0.725 | S | S | * | * | trans | 64.6 | 173 | 144.8 | -71.2 | -86.6 | 91.4 | 0 | 0 | 121.2 | ||||
| 447 | P | 61 | Low | 42.2 | Very low | 89 Ų | 89 | 130.6 Ų | 130.6 | 58% | 0.578 | 72% | 0.72 | S | S | * | * | cis | -143 | -177.9 | -49.1 | 42 | -25.4 | 0 | 0 | 0 | 117.9 | ||||
| 448 | L | 41.8 | Very low | 42.9 | Very low | 149 Ų | 149 | 130.3 Ų | 130.3 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | trans | 72.1 | 130.2 | 145.7 | -83.2 | 163.7 | 0 | 0 | 0 | 125 | ||||
| 449 | S | 40.6 | Very low | 43.9 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 84% | 0.839 | 74% | 0.736 | S | S | * | * | -178.8 | 163.9 | 128.7 | 42.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 450 | D | 39.5 | Very low | 44.1 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 81% | 0.807 | 74% | 0.739 | S | S | * | * | trans | -108.6 | 177.5 | -162.6 | -90.3 | -73.2 | 0 | 0 | 0 | 117.2 | ||||
| 451 | C | 33.4 | Very low | 44.7 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | trans | -79.6 | -159.3 | -179.3 | -45.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 452 | P | 58.6 | Low | 45.2 | Very low | 111 Ų | 111 | 132 Ų | 132 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | cis | -144 | -172.7 | -12.5 | 39.5 | -17.6 | 0 | 0 | 0 | 117.6 | ||||
| 453 | T | 36 | Very low | 46.1 | Very low | 117 Ų | 117 | 134 Ų | 134 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | trans | 88.2 | 156.5 | 145 | -50 | 0 | 0 | 0 | 0 | 123 | ||||
| 454 | Q | 36.7 | Very low | 46.7 | Very low | 156 Ų | 156 | 140.9 Ų | 140.9 | 73% | 0.729 | 78% | 0.778 | S | S | * | * | trans | 81.2 | 131.5 | 177.7 | -46.3 | -63.1 | 23.4 | 0 | 0 | 116.3 | ||||
| 455 | L | 45.3 | Very low | 47.2 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | cis | 88.3 | 103.4 | 27.2 | -67.2 | -178.4 | 0 | 0 | 0 | 116.9 | ||||
| 456 | N | 41.3 | Very low | 46.5 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | 171.8 | 125.7 | 142.6 | -95.2 | 7.8 | 0 | 0 | 0 | 107.3 | ||||
| 457 | S | 39 | Very low | 46.8 | Very low | 92 Ų | 92 | 141.3 Ų | 141.3 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | 86.6 | 118.7 | 52.7 | 77.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 458 | T | 52.6 | Low | 46 | Very low | 132 Ų | 132 | 144.4 Ų | 144.4 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -176.2 | 144.9 | 134.4 | -86.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 459 | E | 56.1 | Low | 46.3 | Very low | 180 Ų | 180 | 144.1 Ų | 144.1 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | trans | -107.7 | -142.5 | -177 | -65 | 170.6 | 99.8 | 0 | 0 | 110.2 | ||||
| 460 | D | 46.6 | Very low | 46.7 | Very low | 152 Ų | 152 | 145.7 Ų | 145.7 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | 70.8 | 137.2 | -178.1 | -50.1 | -50.3 | 0 | 0 | 0 | 114.5 | ||||
| 461 | V | 53.7 | Low | 47.2 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 78% | 0.782 | 80% | 0.795 | S | S | * | * | cis | -140.7 | 156.8 | 16.6 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 462 | D | 53 | Low | 48.2 | Very low | 128 Ų | 128 | 147.6 Ų | 147.6 | 68% | 0.684 | 80% | 0.796 | S | S | * | * | trans | -33.1 | 171.2 | 159.5 | -67.7 | -96.6 | 0 | 0 | 0 | 118.6 | ||||
| 463 | M | 53.6 | Low | 47.4 | Very low | 163 Ų | 163 | 150.7 Ų | 150.7 | 80% | 0.803 | 80% | 0.802 | S | S | * | * | cis | -148.8 | 169.9 | 6.6 | -131.6 | 162.2 | -112.7 | 0 | 0 | 106.6 | ||||
| 464 | E | 54.5 | Low | 48.4 | Very low | 255 Ų | 255 | 153.7 Ų | 153.7 | 100% | 1.192 | 81% | 0.81 | S | S | * | * | cis | -157.7 | 0 | 37.8 | -177.4 | -177.4 | 156.9 | 0 | 0 | 110.4 |
Retrieved 464 of 464 residues in 548.3 ms
(Link to these results)