| 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 | 28.8 | Very low | 28.2 | Very low | 231 Ų | 231 | 163.2 Ų | 163.2 | 100% | 1.138 | 87% | 0.866 | S | S | * | * | 0 | 143.8 | 0 | -76.5 | 179.7 | 167.8 | 0 | 0 | 108.5 | |||||
| 2 | R | 28.3 | Very low | 28.2 | Very low | 230 Ų | 230 | 158.3 Ų | 158.3 | 87% | 0.868 | 87% | 0.866 | S | S | * | * | trans | 48.5 | 118.8 | 162.7 | -59.9 | 179.6 | -176 | 173 | 1.1 | 116.6 | ||||
| 3 | V | 28 | Very low | 28.1 | Very low | 125 Ų | 125 | 154.3 Ų | 154.3 | 76% | 0.758 | 87% | 0.867 | S | S | * | * | cis | 63.6 | 97.5 | 26.7 | -166.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 4 | L | 27.1 | Very low | 27.8 | Very low | 170 Ų | 170 | 150.7 Ų | 150.7 | 89% | 0.89 | 86% | 0.857 | S | S | * | * | trans | -141.7 | 117.5 | 144.1 | -64.1 | 175.8 | 0 | 0 | 0 | 103.7 | ||||
| 5 | S | 26.6 | Very low | 27.7 | Very low | 104 Ų | 104 | 149.6 Ų | 149.6 | 73% | 0.727 | 85% | 0.845 | S | S | * | * | cis | 80.7 | 95.9 | 29.9 | -156.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 6 | V | 25.2 | Very low | 27.5 | Very low | 138 Ų | 138 | 154.1 Ų | 154.1 | 84% | 0.836 | 85% | 0.847 | S | S | * | * | trans | -137.5 | 131.7 | 161.6 | 179.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 7 | P | 31.4 | Very low | 28.1 | Very low | 122 Ų | 122 | 151.7 Ų | 151.7 | 79% | 0.792 | 84% | 0.84 | S | S | * | * | trans | -85.8 | 158 | -172.3 | 33.7 | -36 | 0 | 0 | 0 | 113.9 | ||||
| 8 | R | 27.6 | Very low | 27.8 | Very low | 248 Ų | 248 | 150.5 Ų | 150.5 | 94% | 0.936 | 84% | 0.842 | S | S | * | * | trans | -98.6 | 142.4 | 156.8 | -80.6 | 178.7 | 166.4 | 170 | -4.2 | 109.4 | ||||
| 9 | S | 28.9 | Very low | 27.7 | Very low | 118 Ų | 118 | 149.3 Ų | 149.3 | 83% | 0.825 | 84% | 0.839 | S | S | * | * | trans | -109.4 | 158.1 | 151.9 | 61.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 10 | L | 30.1 | Very low | 27.5 | Very low | 159 Ų | 159 | 146.9 Ų | 146.9 | 83% | 0.832 | 83% | 0.833 | S | S | * | * | trans | -94.5 | 159.2 | 179.3 | -54.9 | 95.7 | 0 | 0 | 0 | 110.9 | ||||
| 11 | T | 28.3 | Very low | 27.4 | Very low | 150 Ų | 150 | 147.9 Ų | 147.9 | 92% | 0.92 | 84% | 0.835 | S | S | * | * | -169.9 | 164.5 | 113.6 | 19.4 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 12 | A | 27.8 | Very low | 27.3 | Very low | 105 Ų | 105 | 147.7 Ų | 147.7 | 87% | 0.868 | 82% | 0.822 | S | S | * | * | trans | -134.9 | 148.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 13 | A | 27.3 | Very low | 27.1 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | trans | -151.6 | 163.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 14 | S | 24.4 | Very low | 26.9 | Very low | 104 Ų | 104 | 141.4 Ų | 141.4 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | trans | -97.8 | 147.4 | -162.9 | -75.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 15 | I | 26.4 | Very low | 26.9 | Very low | 134 Ų | 134 | 140.9 Ų | 140.9 | 69% | 0.687 | 82% | 0.815 | S | S | * | * | 34.9 | 126.5 | 116.2 | -49.5 | 173.2 | 0 | 0 | 0 | 115.3 | |||||
| 16 | Y | 23.8 | Very low | 26.9 | Very low | 222 Ų | 222 | 146.2 Ų | 146.2 | 87% | 0.871 | 82% | 0.819 | S | S | * | * | cis | -150.5 | -162.7 | 33.5 | -121.8 | -24.5 | 0 | 0 | 0 | 112.1 | ||||
| 17 | P | 37.7 | Very low | 26.9 | Very low | 113 Ų | 113 | 147.5 Ų | 147.5 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | trans | -99.2 | 171.1 | -159.6 | 42.5 | -35.7 | 0 | 0 | 0 | 114.6 | ||||
| 18 | C | 22.3 | Very low | 26.7 | Very low | 130 Ų | 130 | 151.2 Ų | 151.2 | 88% | 0.878 | 82% | 0.819 | S | S | * | * | trans | -142.4 | 151.5 | 156.2 | -155 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 19 | T | 25.6 | Very low | 26.5 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -118.4 | 161.1 | -175.3 | 49.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 20 | S | 25 | Very low | 26.3 | Very low | 101 Ų | 101 | 145.8 Ų | 145.8 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | trans | 71.1 | 117.6 | 165.8 | -156.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 21 | L | 25.3 | Very low | 26.1 | Very low | 167 Ų | 167 | 149.5 Ų | 149.5 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | -149.3 | 146.1 | 99.4 | -137.3 | 69.7 | 0 | 0 | 0 | 111.7 | |||||
| 22 | R | 25.8 | Very low | 25.9 | Very low | 228 Ų | 228 | 148.2 Ų | 148.2 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -108.5 | 164.6 | 170.1 | -84 | -179 | 165.6 | -176.1 | -2.9 | 109.6 | ||||
| 23 | S | 23.9 | Very low | 25.9 | Very low | 114 Ų | 114 | 153.9 Ų | 153.9 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | 102.8 | 93.1 | 138 | -163.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 24 | S | 24.9 | Very low | 25.8 | Very low | 108 Ų | 108 | 154.5 Ų | 154.5 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -168.1 | 145.2 | 137.6 | -82.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 25 | I | 26.4 | Very low | 25.8 | Very low | 160 Ų | 160 | 157.3 Ų | 157.3 | 82% | 0.821 | 80% | 0.8 | S | S | * | * | cis | -143.6 | 165.8 | -6.6 | -109.4 | 158.1 | 0 | 0 | 0 | 108.2 | ||||
| 26 | R | 26 | Very low | 25.8 | Very low | 216 Ų | 216 | 156.7 Ų | 156.7 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | trans | -103.1 | 174.8 | -178 | -66.6 | -176.6 | -175 | 170.7 | 2.4 | 113.2 | ||||
| 27 | H | 26 | Very low | 26 | Very low | 165 Ų | 165 | 152.7 Ų | 152.7 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | trans | 85.8 | 141.3 | 168.9 | -57.6 | -91.8 | 0 | 0 | 0 | 115.3 | ||||
| 28 | K | 26.6 | Very low | 25.5 | Very low | 199 Ų | 199 | 157.5 Ų | 157.5 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | cis | -121.2 | 165.3 | 8 | -71.7 | 180 | 179.3 | 175.4 | 0 | 113.6 | ||||
| 29 | L | 24.4 | Very low | 26 | Very low | 155 Ų | 155 | 157 Ų | 157 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -71.6 | 170.4 | 167.1 | -79.2 | 71.2 | 0 | 0 | 0 | 109.6 | ||||
| 30 | S | 23.4 | Very low | 26.1 | Very low | 97 Ų | 97 | 161.2 Ų | 161.2 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | cis | -170.6 | 159.9 | 41.9 | -160.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 31 | R | 26.1 | Very low | 26.3 | Very low | 237 Ų | 237 | 160.3 Ų | 160.3 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | trans | 65.7 | 140.8 | 173.7 | -62.1 | 175.3 | 175.4 | 171.7 | -2.9 | 114.8 | ||||
| 32 | C | 25.2 | Very low | 26.5 | Very low | 124 Ų | 124 | 158.5 Ų | 158.5 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | cis | -113.1 | 163.6 | 7.1 | -71.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 33 | R | 26.8 | Very low | 26.6 | Very low | 223 Ų | 223 | 155.5 Ų | 155.5 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | trans | -87 | 153.5 | 156.8 | -58.5 | 172.6 | 178.1 | 165.6 | -2.5 | 106.4 | ||||
| 34 | C | 25.2 | Very low | 26.7 | Very low | 119 Ų | 119 | 159.2 Ų | 159.2 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | cis | -156 | 174.2 | 45.9 | -78.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 35 | F | 25.1 | Very low | 26.8 | Very low | 163 Ų | 163 | 165.8 Ų | 165.8 | 72% | 0.715 | 81% | 0.812 | S | S | * | * | cis | -166.9 | 138.4 | -38.5 | -148.8 | -92.9 | 0 | 0 | 0 | 105.8 | ||||
| 36 | N | 26.5 | Very low | 26.8 | Very low | 122 Ų | 122 | 165 Ų | 165 | 65% | 0.652 | 81% | 0.808 | S | S | * | * | trans | 53.6 | 74.3 | 173.1 | -71.2 | -20.3 | 0 | 0 | 0 | 119.3 | ||||
| 37 | C | 27.8 | Very low | 26.9 | Very low | 137 Ų | 137 | 159.4 Ų | 159.4 | 93% | 0.926 | 81% | 0.808 | S | S | * | * | -81.8 | 130.8 | 127.6 | -64.2 | 0 | 0 | 0 | 0 | 108 | |||||
| 38 | R | 26.8 | Very low | 26.9 | Very low | 214 Ų | 214 | 160.9 Ų | 160.9 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | trans | -130.6 | 137.6 | 165.7 | -91.5 | -167.3 | 171.7 | -142.1 | -0.4 | 110 | ||||
| 39 | P | 32 | Very low | 27.1 | Very low | 119 Ų | 119 | 163.5 Ų | 163.5 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | -78.1 | 132.1 | -177.1 | 31.2 | -34.1 | 0 | 0 | 0 | 111.4 | A41 | P39-A41 PolarHBondContact O-N 2.93Å; P39-A41 VanDerWaalsContact O-N 3.09Å | ||
| 40 | F | 27.7 | Very low | 27.2 | Very low | 217 Ų | 217 | 159.1 Ų | 159.1 | 95% | 0.952 | 81% | 0.81 | S | S | * | * | trans | -80.4 | 86.5 | 171 | -106.7 | -89.6 | 0 | 0 | 0 | 110.7 | ||||
| 41 | A | 30.9 | Very low | 27.6 | Very low | 83 Ų | 83 | 167 Ų | 167 | 69% | 0.686 | 82% | 0.824 | S | S | * | * | trans | -140.8 | 72.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | P39 | P39-A41 PolarHBondContact O-N 2.93Å; P39-A41 VanDerWaalsContact O-N 3.09Å | ||
| 42 | T | 27.6 | Very low | 27.7 | Very low | 129 Ų | 129 | 159.2 Ų | 159.2 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | trans | -135.3 | 93.2 | 170.3 | -54.3 | 0 | 0 | 0 | 0 | 110.5 | K44 | T42-K44 PolarHBondContact O-N 3.1Š| ||
| 43 | L | 28.9 | Very low | 28.3 | Very low | 164 Ų | 164 | 160.3 Ų | 160.3 | 86% | 0.859 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -66 | 125.1 | 162.5 | -94.9 | 70.4 | 0 | 0 | 0 | 109.3 | ||
| 44 | K | 25.5 | Very low | 28.5 | Very low | 192 Ų | 192 | 160.2 Ų | 160.2 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 116.2 | 147.7 | -94 | -172.8 | 173.7 | -179 | 0 | 108.3 | T42 I46 | T42-K44 PolarHBondContact O-N 3.1Å; K44-I46 PolarHBondContact O-N 3.47Å |
| 45 | R | 27.5 | Very low | 28.6 | Very low | 246 Ų | 246 | 159.5 Ų | 159.5 | 93% | 0.928 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 121 | 166.3 | -82.2 | 179.1 | 169 | 168.4 | -4.5 | 108.7 | ||
| 46 | I | 26.1 | Very low | 28.7 | Very low | 143 Ų | 143 | 157.4 Ų | 157.4 | 73% | 0.733 | 82% | 0.819 | S | S | * | * | trans | -115.9 | 119 | 154.4 | -62.8 | 178.9 | 0 | 0 | 0 | 105.7 | K44 F48 | K44-I46 PolarHBondContact O-N 3.47Å; I46-F48 HydrophobicContact CG2-CD2 4.19Å; I46-F48 HydrophobicContact CG2-CE2 4.48Å; I46-F48 PolarHBondContact O-N 2.72Å | ||
| 47 | A | 28.8 | Very low | 28.6 | Very low | 99 Ų | 99 | 156.5 Ų | 156.5 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -84.7 | 108.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 48 | F | 25.8 | Very low | 28.6 | Very low | 196 Ų | 196 | 156.4 Ų | 156.4 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -91.2 | 103.1 | 171 | -114 | -89.8 | 0 | 0 | 0 | 110.7 | I46 G50 | I46-F48 HydrophobicContact CG2-CD2 4.19Å; I46-F48 HydrophobicContact CG2-CE2 4.48Å; I46-F48 PolarHBondContact O-N 2.72Å; F48-G50 PolarHBondContact O-N 3.03Å | ||
| 49 | R | 30.5 | Very low | 28.4 | Very low | 255 Ų | 255 | 155.3 Ų | 155.3 | 96% | 0.962 | 81% | 0.805 | S | S | * | * | trans | -89.7 | 79.8 | 173.6 | -176.1 | -177.7 | 177.3 | -172.9 | -1.1 | 109.1 | ||||
| 50 | G | 26 | Very low | 27.9 | Very low | 63 Ų | 63 | 161 Ų | 161 | 65% | 0.649 | 81% | 0.812 | S | S | * | * | trans | -124.5 | 128.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F48 | F48-G50 PolarHBondContact O-N 3.03Š| ||
| 51 | R | 33.6 | Very low | 27.7 | Very low | 261 Ų | 261 | 155.6 Ų | 155.6 | 99% | 0.985 | 80% | 0.801 | S | S | * | * | trans | -77.7 | 137.2 | 163.8 | -69.6 | 176.3 | 172.5 | 172.4 | -4.5 | 108.2 | ||||
| 52 | G | 27.6 | Very low | 27.5 | Very low | 75 Ų | 75 | 156 Ų | 156 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -174.9 | 92.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | R54 | G52-R54 PolarHBondContact O-N 2.69Š| ||
| 53 | T | 38.3 | Very low | 27.3 | Very low | 146 Ų | 146 | 153.7 Ų | 153.7 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | trans | -71.1 | 121.5 | 170.6 | 36.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 54 | R | 29.3 | Very low | 27.1 | Very low | 222 Ų | 222 | 149.7 Ų | 149.7 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | trans | -139.6 | 104.1 | 161.1 | -76.4 | -162.1 | 171.4 | -167.8 | -3.9 | 110.9 | G52 | G52-R54 PolarHBondContact O-N 2.69Š| ||
| 55 | T | 29.3 | Very low | 27.1 | Very low | 104 Ų | 104 | 149.5 Ų | 149.5 | 64% | 0.638 | 81% | 0.806 | S | S | * | * | trans | -68.3 | 127.8 | 165 | 26.9 | 0 | 0 | 0 | 0 | 110 | F57 T393 | T55-F57 PolarHBondContact O-N 2.98Å; T55-T393 HydrophobicContact CG2-CG2 4.03Å | ||
| 56 | S | 25.4 | Very low | 27.2 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -85.9 | 89.6 | 176.1 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 57 | F | 24.6 | Very low | 27.2 | Very low | 103 Ų | 103 | 144.5 Ų | 144.5 | 45% | 0.452 | 80% | 0.801 | S | S | . | * | trans | -87.8 | 120.2 | 163.6 | -99.2 | -101.7 | 0 | 0 | 0 | 110 | T55 Q390 | T55-F57 PolarHBondContact O-N 2.98Å; F57-Q390 HydrophobicContact CE2-CB 4.44Å; F57-Q390 HydrophobicContact CE2-CG 3.99Å; F57-Q390 HydrophobicContact CZ-CB 3.94Å; F57-Q390 HydrophobicContact CZ-CG 3.85Å | ||
| 58 | V | 28 | Very low | 27.2 | Very low | 135 Ų | 135 | 149.7 Ų | 149.7 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -101.7 | 109.5 | 171.8 | -179.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 59 | F | 22.1 | Very low | 27.4 | Very low | 190 Ų | 190 | 148.4 Ų | 148.4 | 83% | 0.833 | 80% | 0.799 | S | S | * | * | trans | -104 | 109.5 | 176 | -152 | -85.4 | 0 | 0 | 0 | 108.7 | ||||
| 60 | W | 22.6 | Very low | 27.3 | Very low | 239 Ų | 239 | 139.7 Ų | 139.7 | 91% | 0.905 | 79% | 0.789 | S | S | * | * | trans | -94 | 99 | 175.1 | -165.7 | -13.1 | 0 | 0 | 0 | 108.6 | ||||
| 61 | S | 23.9 | Very low | 27.5 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -82 | 135.6 | 166.2 | -166.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 62 | A | 25.3 | Very low | 27.2 | Very low | 91 Ų | 91 | 136.6 Ų | 136.6 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -127 | 134.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 63 | G | 23.9 | Very low | 27.5 | Very low | 80 Ų | 80 | 139.3 Ų | 139.3 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -164.6 | 149.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 64 | G | 25.5 | Very low | 27.1 | Very low | 81 Ų | 81 | 140.4 Ų | 140.4 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | 85.8 | 107.4 | 169 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 65 | E | 24.6 | Very low | 27.2 | Very low | 187 Ų | 187 | 135.3 Ų | 135.3 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -65.8 | 157 | 167.9 | -67.5 | 153.2 | 89.6 | 0 | 0 | 111.4 | ||||
| 66 | T | 29.1 | Very low | 27.2 | Very low | 150 Ų | 150 | 135.9 Ų | 135.9 | 92% | 0.92 | 79% | 0.792 | S | S | * | * | -148.2 | 158.4 | 88.4 | 27.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 67 | E | 26.2 | Very low | 27.4 | Very low | 135 Ų | 135 | 136.9 Ų | 136.9 | 63% | 0.631 | 79% | 0.793 | S | S | * | * | trans | -87.9 | 140.1 | -163.6 | -169.6 | -168 | 104.7 | 0 | 0 | 114.7 | K69 | E67-K69 HydrophobicContact CG-CG 4.13Å; E67-K69 IonicContact OE1-NZ 2.7Å; E67-K69 PolarHBondContact OE1-NZ 2.67Å; E67-K69 IonicContact OE2-NZ 3.32Å; E67-K69 PolarHBondContact OE2-NZ 3.49Å | ||
| 68 | K | 29.1 | Very low | 27.8 | Very low | 208 Ų | 208 | 140.1 Ų | 140.1 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | trans | -148.6 | 123.4 | 139.5 | -109.5 | 159.4 | -170.2 | 172.5 | 0 | 111.1 | ||||
| 69 | K | 31.4 | Very low | 28.1 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 73% | 0.73 | 81% | 0.813 | S | S | * | * | trans | -77.5 | 145.4 | -170.2 | -66.2 | -178.7 | 170.6 | 85.9 | 0 | 113.2 | E67 | E67-K69 HydrophobicContact CG-CG 4.13Å; E67-K69 IonicContact OE1-NZ 2.7Å; E67-K69 PolarHBondContact OE1-NZ 2.67Å; E67-K69 IonicContact OE2-NZ 3.32Å; E67-K69 PolarHBondContact OE2-NZ 3.49Å | ||
| 70 | G | 28.6 | Very low | 28.5 | Very low | 72 Ų | 72 | 144.6 Ų | 144.6 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | trans | -170 | 61 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A72 | G70-A72 PolarHBondContact O-N 3.3Š| ||
| 71 | N | 28.9 | Very low | 29 | Very low | 165 Ų | 165 | 139.4 Ų | 139.4 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | trans | -68.5 | 123.9 | -174 | -79.6 | -0.8 | 0 | 0 | 0 | 113.9 | ||||
| 72 | A | 28.7 | Very low | 29.2 | Very low | 94 Ų | 94 | 138 Ų | 138 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | trans | -130.6 | 99.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | G70 | G70-A72 PolarHBondContact O-N 3.3Š| ||
| 73 | V | 32.9 | Very low | 29.6 | Very low | 132 Ų | 132 | 139.1 Ų | 139.1 | 80% | 0.8 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 127.3 | -179.1 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | ||
| 74 | M | 29.4 | Very low | 29.9 | Very low | 169 Ų | 169 | 138.9 Ų | 138.9 | 83% | 0.833 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 129.5 | 168.9 | -69.7 | -68.4 | 178.6 | 0 | 0 | 110.3 | ||
| 75 | P | 31.9 | Very low | 30.4 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 130.7 | 177.5 | 30.1 | -33.4 | 0 | 0 | 0 | 111.5 | ||
| 76 | S | 28.3 | Very low | 30.7 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 139.1 | 177.5 | -173.6 | 0 | 0 | 0 | 0 | 112.2 | ||
| 77 | V | 30 | Very low | 30.8 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | trans | -87.1 | 105.6 | 168.3 | 175.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 78 | M | 33.7 | Very low | 31.2 | Very low | 172 Ų | 172 | 143.7 Ų | 143.7 | 85% | 0.847 | 83% | 0.828 | S | S | * | * | trans | -96.2 | 128.1 | 171.3 | -164.7 | 172.8 | -164.1 | 0 | 0 | 109.9 | ||||
| 79 | E | 33.2 | Very low | 31.3 | Very low | 182 Ų | 182 | 139.7 Ų | 139.7 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | trans | -59.4 | 147.2 | 175.6 | -63.9 | -174.5 | 110.6 | 0 | 0 | 111.6 | ||||
| 80 | R | 30.8 | Very low | 31.3 | Very low | 237 Ų | 237 | 142.9 Ų | 142.9 | 89% | 0.894 | 83% | 0.834 | S | S | * | * | trans | -130.2 | 99.2 | 170.6 | -84.7 | -174.2 | 165.1 | -103.1 | -4.7 | 110.5 | G82 | R80-G82 PolarHBondContact O-N 2.82Š| ||
| 81 | S | 33.2 | Very low | 31.6 | Very low | 130 Ų | 130 | 144 Ų | 144 | 91% | 0.909 | 84% | 0.836 | S | S | * | * | trans | -53 | 123.5 | 165.3 | -52.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 82 | G | 28.2 | Very low | 31.8 | Very low | 75 Ų | 75 | 145.4 Ų | 145.4 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | trans | -129.8 | 68.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R80 G84 | R80-G82 PolarHBondContact O-N 2.82Å; G82-G84 PolarHBondContact O-N 2.85Å | ||
| 83 | A | 34.4 | Very low | 31.9 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 94% | 0.942 | 83% | 0.833 | S | S | * | * | trans | -69.2 | 118.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 84 | G | 30.2 | Very low | 31.8 | Very low | 74 Ų | 74 | 146.3 Ų | 146.3 | 76% | 0.763 | 83% | 0.83 | S | S | * | * | trans | -158.3 | 76 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G82 | G82-G84 PolarHBondContact O-N 2.85Š| ||
| 85 | V | 36.4 | Very low | 31.8 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 75% | 0.752 | 83% | 0.829 | S | S | * | * | trans | -68.1 | 130.7 | -178.8 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 86 | L | 31.3 | Very low | 31.6 | Very low | 175 Ų | 175 | 147 Ų | 147 | 92% | 0.916 | 84% | 0.835 | S | S | * | * | trans | -142.1 | 102.7 | 146.2 | -82.1 | -173.1 | 0 | 0 | 0 | 110.9 | ||||
| 87 | S | 30 | Very low | 31.5 | Very low | 99 Ų | 99 | 144.4 Ų | 144.4 | 69% | 0.692 | 83% | 0.827 | S | S | * | * | trans | -74.4 | 140.1 | 166.6 | -49.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 88 | R | 35.4 | Very low | 31.3 | Very low | 256 Ų | 256 | 143.4 Ų | 143.4 | 97% | 0.966 | 83% | 0.827 | S | S | * | * | trans | -142.9 | 102.4 | 154.7 | -113.4 | -175.9 | 177.8 | -164.5 | -2.1 | 110.5 | ||||
| 89 | S | 30.7 | Very low | 31.2 | Very low | 125 Ų | 125 | 141 Ų | 141 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | -73.9 | 136.1 | 178.7 | -47.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 90 | R | 31.6 | Very low | 31.2 | Very low | 235 Ų | 235 | 140.8 Ų | 140.8 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | trans | -139.9 | 115.8 | 148.1 | -168.9 | 172.4 | -170.1 | 165.6 | 4.7 | 108.9 | ||||
| 91 | A | 33.6 | Very low | 31.8 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -80.9 | 137.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 92 | K | 34.5 | Very low | 31.6 | Very low | 195 Ų | 195 | 136.4 Ų | 136.4 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | -147.8 | 122.5 | 150.4 | -93.4 | -158.4 | 175.3 | -171.2 | 0 | 109 | ||||
| 93 | T | 29.6 | Very low | 31.8 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | -70.7 | 167.9 | 146.8 | 46.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 94 | V | 30.7 | Very low | 31.6 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | cis | -160.2 | 173.6 | 39.8 | -137.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 95 | T | 29.4 | Very low | 31.9 | Very low | 132 Ų | 132 | 146.5 Ų | 146.5 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | 61.3 | 112.9 | 151.1 | 50.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 96 | N | 28.3 | Very low | 31.9 | Very low | 167 Ų | 167 | 149.7 Ų | 149.7 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | trans | -45.2 | 149.4 | 149.3 | 168.3 | 80.8 | 0 | 0 | 0 | 116.4 | ||||
| 97 | G | 27.2 | Very low | 32.2 | Very low | 62 Ų | 62 | 146.3 Ų | 146.3 | 64% | 0.639 | 81% | 0.806 | S | S | * | * | trans | 153.2 | 78.3 | 150.6 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 98 | S | 25.8 | Very low | 32.8 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | 63 | 153.9 | 138.2 | -151.1 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 99 | S | 30.8 | Very low | 33 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | 86.4 | 168.6 | 158.6 | 73.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 100 | Q | 32.3 | Very low | 33.7 | Very low | 178 Ų | 178 | 143.7 Ų | 143.7 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -148.4 | -175.3 | -139.6 | -156.9 | -165 | -52.9 | 0 | 0 | 110.8 | ||||
| 101 | P | 44.6 | Very low | 34.3 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 66% | 0.662 | 79% | 0.792 | S | S | * | * | -90.7 | 173 | -90.4 | 38.7 | -27.2 | 0 | 0 | 0 | 114.1 | |||||
| 102 | H | 28 | Very low | 34.9 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | trans | -140.8 | 162.5 | 147.5 | -146.1 | -98.6 | 0 | 0 | 0 | 110.6 | E104 | H102-E104 IonicContact ND1-OE1 2.68Š| ||
| 103 | S | 32.9 | Very low | 35.6 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | trans | -132.7 | 131 | -169.6 | 55.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 104 | E | 30.7 | Very low | 36.4 | Very low | 181 Ų | 181 | 138.1 Ų | 138.1 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -155.1 | 154.4 | 156.8 | 41.9 | -137.2 | 115.8 | 0 | 0 | 109.4 | H102 | H102-E104 IonicContact ND1-OE1 2.68Š| ||
| 105 | E | 37 | Very low | 37.4 | Very low | 197 Ų | 197 | 137.5 Ų | 137.5 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | trans | -110.9 | 125.4 | -163.7 | -55.5 | -176.9 | 137.7 | 0 | 0 | 111.1 | ||||
| 106 | E | 35.1 | Very low | 38.7 | Very low | 191 Ų | 191 | 136.5 Ų | 136.5 | 89% | 0.893 | 76% | 0.762 | S | S | * | * | trans | -150.3 | 134.1 | 169 | -144.4 | 179.1 | 152.6 | 0 | 0 | 114.1 | ||||
| 107 | S | 37.3 | Very low | 40.3 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | 45.3 | 98.6 | 161.2 | -154 | 0 | 0 | 0 | 0 | 120 | D109 | S107-D109 PolarHBondContact O-N 2.7Š| ||
| 108 | S | 43.6 | Very low | 42.3 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -97.2 | 44.7 | -177.6 | -179.5 | 0 | 0 | 0 | 0 | 115.2 | ||
| 109 | D | 40.2 | Very low | 44.9 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -119.3 | -37 | 179.9 | -138.4 | -94.5 | 0 | 0 | 0 | 115.1 | S107 E111 | S107-D109 PolarHBondContact O-N 2.7Å; D109-E111 PolarHBondContact O-N 3.09Å |
| 110 | E | 43.5 | Very low | 47.1 | Very low | 170 Ų | 170 | 139.5 Ų | 139.5 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -80.7 | -13.3 | -169.8 | -71.4 | -133.7 | 112.3 | 0 | 0 | 116.8 | H112 A113 | E110-H112 PolarHBondContact O-N 3.01Å; E110-H112 VanDerWaalsContact O-N 3.13Å; E110-A113 PolarHBondContact O-N 3.48Å |
| 111 | E | 44.9 | Very low | 49.2 | Very low | 167 Ų | 167 | 132 Ų | 132 | 78% | 0.78 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -60.4 | -28.8 | -175.8 | -75.1 | -152.2 | 115.3 | 0 | 0 | 114.1 | D109 A113 H114 | D109-E111 PolarHBondContact O-N 3.09Å; E111-A113 PolarHBondContact O-N 3.18Å; E111-A113 VanDerWaalsContact O-N 3.15Å; E111-H114 PolarHBondContact O-N 3.12Å |
| 112 | H | 47.2 | Very low | 50.7 | Low | 158 Ų | 158 | 129.9 Ų | 129.9 | 73% | 0.731 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -63.7 | -22.4 | -174.9 | -72 | 98.8 | 0 | 0 | 0 | 114.2 | E110 | E110-H112 PolarHBondContact O-N 3.01Å; E110-H112 VanDerWaalsContact O-N 3.13Å |
| 113 | A | 47.9 | Very low | 53 | Low | 70 Ų | 70 | 128.9 Ų | 128.9 | 58% | 0.579 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -69.6 | -34.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E110 E111 | E110-A113 PolarHBondContact O-N 3.48Å; E111-A113 PolarHBondContact O-N 3.18Å; E111-A113 VanDerWaalsContact O-N 3.15Å |
| 114 | H | 47.2 | Very low | 55.2 | Low | 137 Ų | 137 | 131 Ų | 131 | 63% | 0.634 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -31.3 | -173.9 | -88.5 | -87.4 | 0 | 0 | 0 | 113.9 | E111 S116 M117 | E111-H114 PolarHBondContact O-N 3.12Å; H114-S116 PolarHBondContact O-N 2.83Å; H114-M117 VanDerWaalsContact O-CB 3.3Å; H114-M117 WeakPolarHBondContact O-CB 3.39Å; H114-M117 PolarHBondContact O-N 3.12Å |
| 115 | D | 50.5 | Low | 57.6 | Low | 108 Ų | 108 | 128.9 Ų | 128.9 | 58% | 0.578 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -12.6 | 177.4 | -159.3 | 49.5 | 0 | 0 | 0 | 113.4 | M117 R119 | D115-M117 VanDerWaalsContact C-N 3.25Å; D115-M117 PolarHBondContact O-N 3.17Å; D115-R119 IonicContact OD1-CZ 3.76Å; D115-R119 IonicContact OD1-NE 2.73Å; D115-R119 PolarHBondContact OD1-NE 3.07Å; D115-R119 VanDerWaalsContact OD1-NE 3.12Å; D115-R119 IonicContact OD1-NH2 2.99Å; D115-R119 PolarHBondContact OD1-NH2 3.42Å |
| 116 | S | 56.5 | Low | 59.3 | Low | 110 Ų | 110 | 123.8 Ų | 123.8 | 77% | 0.769 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -7.6 | 168.5 | -65 | 0 | 0 | 0 | 0 | 113.5 | H114 | H114-S116 PolarHBondContact O-N 2.83Š|
| 117 | M | 62.4 | Low | 61.3 | Low | 126 Ų | 126 | 123.9 Ų | 123.9 | 62% | 0.621 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -88.4 | 134.1 | 177.5 | -163.5 | 173 | -65.2 | 0 | 0 | 110.7 | H114 D115 R119 | H114-M117 VanDerWaalsContact O-CB 3.3Å; H114-M117 WeakPolarHBondContact O-CB 3.39Å; H114-M117 PolarHBondContact O-N 3.12Å; D115-M117 VanDerWaalsContact C-N 3.25Å; D115-M117 PolarHBondContact O-N 3.17Å; M117-R119 PolarHBondContact O-N 2.97Å |
| 118 | I | 69.6 | Low | 63.2 | Low | 146 Ų | 146 | 126.3 Ų | 126.3 | 75% | 0.749 | 68% | 0.682 | S | S | * | * | trans | -62.9 | 112.1 | 178.1 | -56.9 | 176.3 | 0 | 0 | 0 | 108.7 | V120 | I118-V120 HydrophobicContact CG2-CG2 3.94Å; I118-V120 PolarHBondContact O-N 2.84Å; I118-V120 VanDerWaalsContact O-N 3.13Å | ||
| 119 | R | 80 | Confident | 64.9 | Low | 136 Ų | 136 | 126 Ų | 126 | 51% | 0.513 | 68% | 0.676 | S | S | . | * | trans | -69.3 | 105.3 | 177.9 | -60.8 | 177.1 | -179.8 | -104.1 | 7.2 | 109.1 | D115 M117 Y124 | D115-R119 IonicContact OD1-CZ 3.76Å; D115-R119 IonicContact OD1-NE 2.73Å; D115-R119 PolarHBondContact OD1-NE 3.07Å; D115-R119 VanDerWaalsContact OD1-NE 3.12Å; D115-R119 IonicContact OD1-NH2 2.99Å; D115-R119 PolarHBondContact OD1-NH2 3.42Å; M117-R119 PolarHBondContact O-N 2.97Å; R119-Y124 HydrophobicContact CB-CD1 3.92Å; R119-Y124 HydrophobicContact CB-CD2 3.91Å; R119-Y124 HydrophobicContact CB-CE1 4.36Å; R119-Y124 HydrophobicContact CB-CE2 4.33Å; R119-Y124 HydrophobicContact CB-CG 3.69Å; R119-Y124 WeakPolarHBondContact O-CB 3.44Å | ||
| 120 | V | 77.2 | Confident | 66.7 | Low | 123 Ų | 123 | 126.8 Ų | 126.8 | 75% | 0.745 | 68% | 0.676 | S | S | * | * | trans | -110.9 | 112.9 | -177.7 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | I118 | I118-V120 HydrophobicContact CG2-CG2 3.94Å; I118-V120 PolarHBondContact O-N 2.84Å; I118-V120 VanDerWaalsContact O-N 3.13Å | ||
| 121 | G | 76 | Confident | 67.6 | Low | 22 Ų | 22 | 127 Ų | 127 | 23% | 0.227 | 68% | 0.675 | C | S | . | * | S | Bend | trans | -177.7 | 170.6 | 177 | 0 | 0 | 0 | 0 | 0 | 110.2 | D123 Y124 Q125 | G121-D123 PolarHBondContact O-N 3.23Å; G121-Y124 PolarHBondContact O-N 3.14Å; G121-Q125 WeakPolarHBondContact O-CG 3.32Å; G121-Q125 PolarHBondContact O-N 2.94Å |
| 122 | G | 77.4 | Confident | 68.5 | Low | 57 Ų | 57 | 125.5 Ų | 125.5 | 59% | 0.588 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -62.2 | -37.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y124 Q125 | G122-Y124 PolarHBondContact O-N 3.31Å; G122-Q125 PolarHBondContact O-N 3.36Å |
| 123 | D | 76.3 | Confident | 69 | Low | 152 Ų | 152 | 122.1 Ų | 122.1 | 81% | 0.813 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -72.8 | -10.5 | -179 | -38 | -76.3 | 0 | 0 | 0 | 113.2 | G121 | G121-D123 PolarHBondContact O-N 3.23Š|
| 124 | Y | 78 | Confident | 69 | Low | 141 Ų | 141 | 126 Ų | 126 | 55% | 0.553 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -112.1 | 8 | 176.5 | -53.6 | -62 | 0 | 0 | 0 | 112.7 | R119 G121 G122 | R119-Y124 HydrophobicContact CB-CD1 3.92Å; R119-Y124 HydrophobicContact CB-CD2 3.91Å; R119-Y124 HydrophobicContact CB-CE1 4.36Å; R119-Y124 HydrophobicContact CB-CE2 4.33Å; R119-Y124 HydrophobicContact CB-CG 3.69Å; R119-Y124 WeakPolarHBondContact O-CB 3.44Å; G121-Y124 PolarHBondContact O-N 3.14Å; G122-Y124 PolarHBondContact O-N 3.31Å |
| 125 | Q | 81.3 | Confident | 69.1 | Low | 137 Ų | 137 | 121.5 Ų | 121.5 | 64% | 0.64 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -105.4 | 146.8 | 172.6 | -72.2 | 174.7 | 22.6 | 0 | 0 | 110.1 | G121 G122 Q127 | G121-Q125 WeakPolarHBondContact O-CG 3.32Å; G121-Q125 PolarHBondContact O-N 2.94Å; G122-Q125 PolarHBondContact O-N 3.36Å; Q125-Q127 PolarHBondContact O-N 2.97Å |
| 126 | A | 73.6 | Confident | 69.3 | Low | 90 Ų | 90 | 122 Ų | 122 | 74% | 0.744 | 66% | 0.662 | S | S | * | * | trans | -65.2 | 126.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | I128 | A126-I128 PolarHBondContact O-N 2.97Š| ||
| 127 | Q | 77.6 | Confident | 69 | Low | 193 Ų | 193 | 120 Ų | 120 | 90% | 0.902 | 65% | 0.652 | S | S | * | * | trans | -63.1 | 101.8 | 167.2 | -87.3 | -170.5 | -14.1 | 0 | 0 | 109.2 | Q125 P129 | Q125-Q127 PolarHBondContact O-N 2.97Å; Q127-P129 VanDerWaalsContact O-CD 3.26Å; Q127-P129 WeakPolarHBondContact O-CD 3.41Å | ||
| 128 | I | 76.8 | Confident | 68.2 | Low | 156 Ų | 156 | 122.4 Ų | 122.4 | 80% | 0.8 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 117.7 | 175.8 | -57.2 | 178.4 | 0 | 0 | 0 | 107.9 | A126 | A126-I128 PolarHBondContact O-N 2.97Š|
| 129 | P | 78.7 | Confident | 67.2 | Low | 113 Ų | 113 | 124.6 Ų | 124.6 | 73% | 0.734 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 141 | 177.8 | -21.2 | 34.6 | 0 | 0 | 0 | 111.3 | Q127 F131 | Q127-P129 VanDerWaalsContact O-CD 3.26Å; Q127-P129 WeakPolarHBondContact O-CD 3.41Å; P129-F131 PolarHBondContact O-N 2.98Å |
| 130 | E | 77.2 | Confident | 65.6 | Low | 150 Ų | 150 | 122.8 Ų | 122.8 | 70% | 0.701 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 124 | -179.8 | -175.4 | -178.4 | -132.9 | 0 | 0 | 111.9 | K132 | E130-K132 PolarHBondContact O-N 3.16Å; E130-K132 WeakPolarHBondContact OE2-CE 3.28Å; E130-K132 IonicContact OE2-NZ 3.28Å; E130-K132 PolarHBondContact OE2-NZ 2.83Å |
| 131 | F | 62.8 | Low | 64.2 | Low | 176 Ų | 176 | 121 Ų | 121 | 77% | 0.772 | 64% | 0.638 | S | S | * | * | trans | -71.2 | 110.8 | -176 | 178.8 | -99.6 | 0 | 0 | 0 | 111.3 | P129 P133 | P129-F131 PolarHBondContact O-N 2.98Å; F131-P133 HydrophobicContact CE1-CB 3.94Å; F131-P133 HydrophobicContact CE1-CG 4.35Å; F131-P133 HydrophobicContact CZ-CB 4.36Å | ||
| 132 | K | 64.3 | Low | 62.8 | Low | 135 Ų | 135 | 127 Ų | 127 | 59% | 0.587 | 66% | 0.658 | S | S | * | * | trans | -109.3 | 102 | 178.5 | -69.3 | 176.5 | -176.2 | 174.6 | 0 | 109.5 | E130 D134 | E130-K132 PolarHBondContact O-N 3.16Å; E130-K132 WeakPolarHBondContact OE2-CE 3.28Å; E130-K132 IonicContact OE2-NZ 3.28Å; E130-K132 PolarHBondContact OE2-NZ 2.83Å; K132-D134 PolarHBondContact O-N 3.5Å | ||
| 133 | P | 57.2 | Low | 61.7 | Low | 86 Ų | 86 | 129.9 Ų | 129.9 | 56% | 0.558 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -64.8 | -38.1 | -175.8 | 22.7 | -30.9 | 0 | 0 | 0 | 112.5 | F131 S135 | F131-P133 HydrophobicContact CE1-CB 3.94Å; F131-P133 HydrophobicContact CE1-CG 4.35Å; F131-P133 HydrophobicContact CZ-CB 4.36Å; P133-S135 VanDerWaalsContact C-N 3.31Å; P133-S135 PolarHBondContact O-N 2.99Å; P133-S135 VanDerWaalsContact O-N 3.07Å |
| 134 | D | 49.5 | Very low | 60.6 | Low | 151 Ų | 151 | 129.7 Ų | 129.7 | 81% | 0.807 | 65% | 0.654 | S | S | * | * | trans | -90.9 | 42.5 | -165.2 | -48.7 | -54.1 | 0 | 0 | 0 | 114.4 | K132 P136 | K132-D134 PolarHBondContact O-N 3.5Å; D134-P136 VanDerWaalsContact O-CD 3.23Å; D134-P136 WeakPolarHBondContact O-CD 3.43Å | ||
| 135 | S | 48.2 | Very low | 59.5 | Low | 44 Ų | 44 | 132.1 Ų | 132.1 | 31% | 0.308 | 66% | 0.662 | S | S | . | * | trans | -103.5 | 93 | 175.1 | 56.3 | 0 | 0 | 0 | 0 | 111.6 | P133 A137 R138 | P133-S135 VanDerWaalsContact C-N 3.31Å; P133-S135 PolarHBondContact O-N 2.99Å; P133-S135 VanDerWaalsContact O-N 3.07Å; S135-A137 PolarHBondContact O-N 2.99Å; S135-R138 WeakPolarHBondContact O-CB 3.33Å; S135-R138 PolarHBondContact O-N 2.72Å; S135-R138 VanDerWaalsContact OG-CG 3.31Å; S135-R138 WeakPolarHBondContact OG-CG 3.33Å | ||
| 136 | P | 54.9 | Low | 58.7 | Low | 119 Ų | 119 | 129.2 Ų | 129.2 | 77% | 0.773 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -16.7 | -176.1 | 23.5 | -34 | 0 | 0 | 0 | 114 | D134 R138 | D134-P136 VanDerWaalsContact O-CD 3.23Å; D134-P136 WeakPolarHBondContact O-CD 3.43Å; P136-R138 VanDerWaalsContact C-N 3.26Å; P136-R138 PolarHBondContact O-N 3.17Å |
| 137 | A | 50.3 | Low | 58.7 | Low | 67 Ų | 67 | 132.8 Ų | 132.8 | 55% | 0.554 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -59.9 | -30.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S135 Y139 N140 E141 | S135-A137 PolarHBondContact O-N 2.99Å; A137-Y139 PolarHBondContact O-N 3.28Å; A137-N140 PolarHBondContact O-N 3.44Å; A137-E141 PolarHBondContact O-N 2.98Å |
| 138 | R | 45.5 | Very low | 58.9 | Low | 177 Ų | 177 | 129.4 Ų | 129.4 | 67% | 0.668 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -63.7 | -22.1 | -174.3 | -81.4 | -70.4 | -170.6 | 100.9 | 1.7 | 114.9 | S135 P136 | S135-R138 WeakPolarHBondContact O-CB 3.33Å; S135-R138 PolarHBondContact O-N 2.72Å; S135-R138 VanDerWaalsContact OG-CG 3.31Å; S135-R138 WeakPolarHBondContact OG-CG 3.33Å; P136-R138 VanDerWaalsContact C-N 3.26Å; P136-R138 PolarHBondContact O-N 3.17Å |
| 139 | Y | 47.5 | Very low | 58.9 | Low | 192 Ų | 192 | 124.5 Ų | 124.5 | 75% | 0.753 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -81.1 | -48 | 173 | -85.2 | -96.6 | 0 | 0 | 0 | 111.4 | A137 E141 K142 | A137-Y139 PolarHBondContact O-N 3.28Å; Y139-E141 VanDerWaalsContact C-N 3.28Å; Y139-E141 PolarHBondContact O-N 3.24Å; Y139-K142 VanDerWaalsContact O-CB 3.26Å; Y139-K142 WeakPolarHBondContact O-CB 3.39Å; Y139-K142 PolarHBondContact O-N 2.85Å |
| 140 | N | 46.7 | Very low | 59.4 | Low | 98 Ų | 98 | 122.4 Ų | 122.4 | 52% | 0.524 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.6 | -34.7 | -179.2 | -160 | -69.1 | 0 | 0 | 0 | 112.5 | A137 K142 Q144 | A137-N140 PolarHBondContact O-N 3.44Å; N140-K142 PolarHBondContact O-N 3.18Å; N140-Q144 PolarHBondContact OD1-NE2 3.08Å |
| 141 | E | 48.4 | Very low | 59.8 | Low | 84 Ų | 84 | 117.5 Ų | 117.5 | 39% | 0.393 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.3 | -19 | 175.7 | -136.5 | -156.4 | 142.9 | 0 | 0 | 113.8 | A137 Y139 R145 | A137-E141 PolarHBondContact O-N 2.98Å; Y139-E141 VanDerWaalsContact C-N 3.28Å; Y139-E141 PolarHBondContact O-N 3.24Å; E141-R145 WeakPolarHBondContact O-CG 3.43Å; E141-R145 IonicContact OE1-CZ 3.71Å; E141-R145 IonicContact OE1-NE 2.73Å; E141-R145 IonicContact OE1-NH2 3.85Å; E141-R145 PolarHBondContact OE1-NH2 3.49Å |
| 142 | K | 47.1 | Very low | 60.7 | Low | 150 Ų | 150 | 114.8 Ų | 114.8 | 65% | 0.652 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -79.5 | -44.8 | -178.4 | -158.7 | 177.6 | -176.5 | -175.6 | 0 | 110.9 | Y139 N140 Q144 R145 S146 | Y139-K142 VanDerWaalsContact O-CB 3.26Å; Y139-K142 WeakPolarHBondContact O-CB 3.39Å; Y139-K142 PolarHBondContact O-N 2.85Å; N140-K142 PolarHBondContact O-N 3.18Å; K142-Q144 PolarHBondContact O-N 2.86Å; K142-R145 PolarHBondContact O-N 3.36Å; K142-S146 PolarHBondContact O-N 3Å; K142-S146 PolarHBondContact O-OG 2.96Å |
| 143 | D | 52.9 | Low | 61.5 | Low | 117 Ų | 117 | 110.3 Ų | 110.3 | 63% | 0.626 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62 | -33.4 | 177.1 | -57.8 | -26.2 | 0 | 0 | 0 | 111.6 | R145 S146 | D143-R145 PolarHBondContact O-N 3.36Å; D143-S146 PolarHBondContact O-N 3.4Å |
| 144 | Q | 53.4 | Low | 62.4 | Low | 147 Ų | 147 | 112.6 Ų | 112.6 | 69% | 0.687 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -9.3 | 175.6 | -66.1 | 180 | 32.8 | 0 | 0 | 114.2 | N140 K142 | N140-Q144 PolarHBondContact OD1-NE2 3.08Å; K142-Q144 PolarHBondContact O-N 2.86Å |
| 145 | R | 55.7 | Low | 63.6 | Low | 192 Ų | 192 | 113 Ų | 113 | 73% | 0.725 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | -10.2 | 178.3 | -63.6 | 176.5 | -174.3 | -149.6 | 4.9 | 113.4 | E141 K142 D143 | E141-R145 WeakPolarHBondContact O-CG 3.43Å; E141-R145 IonicContact OE1-CZ 3.71Å; E141-R145 IonicContact OE1-NE 2.73Å; E141-R145 IonicContact OE1-NH2 3.85Å; E141-R145 PolarHBondContact OE1-NH2 3.49Å; K142-R145 PolarHBondContact O-N 3.36Å; D143-R145 PolarHBondContact O-N 3.36Å |
| 146 | S | 64.2 | Low | 65.3 | Low | 77 Ų | 77 | 112.6 Ų | 112.6 | 54% | 0.538 | 57% | 0.571 | S | S | . | * | trans | -116.1 | 101.8 | -180 | 55.4 | 0 | 0 | 0 | 0 | 111.3 | K142 D143 | K142-S146 PolarHBondContact O-N 3Å; K142-S146 PolarHBondContact O-OG 2.96Å; D143-S146 PolarHBondContact O-N 3.4Å | ||
| 147 | M | 73.1 | Confident | 66.8 | Low | 164 Ų | 164 | 109.7 Ų | 109.7 | 81% | 0.808 | 55% | 0.553 | S | S | * | * | trans | -76.8 | 134 | 171.5 | -174.6 | 166.9 | 68.4 | 0 | 0 | 110.3 | V149 | M147-V149 HydrophobicContact CE-CG2 4.25Å; M147-V149 PolarHBondContact O-N 2.97Å | ||
| 148 | L | 81.4 | Confident | 68.5 | Low | 122 Ų | 122 | 112.2 Ų | 112.2 | 64% | 0.639 | 56% | 0.557 | S | S | * | * | trans | -75.1 | 115.9 | 170.4 | -177.3 | 68.5 | 0 | 0 | 0 | 109 | W150 L184 | L148-W150 WeakPolarHBondContact CD1-O 3.43Å; L148-L184 HydrophobicContact CD2-CD2 4.25Å; L148-L184 HydrophobicContact CG-CD2 3.97Å; L148-L184 WeakPolarHBondContact O-CD2 3.47Å | ||
| 149 | V | 78.6 | Confident | 70.6 | Confident | 54 Ų | 54 | 110.1 Ų | 110.1 | 33% | 0.327 | 56% | 0.559 | S | S | . | * | trans | -101.8 | -26.2 | -178.5 | -175.2 | 0 | 0 | 0 | 0 | 112.2 | M147 E177 L180 G181 L184 | M147-V149 HydrophobicContact CE-CG2 4.25Å; M147-V149 PolarHBondContact O-N 2.97Å; V149-E177 WeakPolarHBondContact CG1-O 3.44Å; V149-L180 CarbonylContact O-C 3.06Å; V149-G181 VanDerWaalsContact O-CA 3.28Å; V149-G181 WeakPolarHBondContact O-CA 3.29Å; V149-G181 PolarHBondContact O-N 3.02Å; V149-L184 VanDerWaalsContact C-CD2 3.48Å; V149-L184 WeakPolarHBondContact O-CD2 3.5Å | ||
| 150 | W | 88 | Confident | 72.5 | Confident | 68 Ų | 68 | 105.2 Ų | 105.2 | 26% | 0.258 | 55% | 0.545 | S | S | . | . | trans | -149.7 | 149.1 | 178 | -177.3 | -123 | 0 | 0 | 0 | 112.6 | L148 L161 L180 L183 L184 H188 | L148-W150 WeakPolarHBondContact CD1-O 3.43Å; W150-L161 HydrophobicContact CH2-CD1 3.65Å; W150-L161 HydrophobicContact CH2-CD2 4.16Å; W150-L161 HydrophobicContact CZ2-CD1 3.99Å; W150-L161 HydrophobicContact CZ2-CD2 3.65Å; W150-L161 HydrophobicContact CZ3-CD1 4.49Å; W150-L180 HydrophobicContact CB-CB 4.15Å; W150-L180 HydrophobicContact CB-CD1 4.41Å; W150-L180 HydrophobicContact CD2-CB 4.09Å; W150-L180 HydrophobicContact CD2-CD1 4.38Å; W150-L180 HydrophobicContact CD2-CD2 3.78Å; W150-L180 HydrophobicContact CD2-CG 4.3Å; W150-L180 HydrophobicContact CE3-CB 3.9Å; W150-L180 HydrophobicContact CE3-CD2 3.81Å; W150-L180 HydrophobicContact CE3-CG 4.39Å; W150-L180 HydrophobicContact CG-CB 4.22Å; W150-L180 HydrophobicContact CG-CD1 4.12Å; W150-L180 HydrophobicContact CG-CD2 4.38Å; W150-L180 HydrophobicContact CG-CG 4.48Å; W150-L180 HydrophobicContact CH2-CD2 4.03Å; W150-L180 HydrophobicContact CZ2-CD2 4.02Å; W150-L180 HydrophobicContact CZ3-CD2 3.93Å; W150-L183 HydrophobicContact CH2-CD2 3.85Å; W150-L183 HydrophobicContact CH2-CG 4.44Å; W150-L183 HydrophobicContact CZ3-CB 4.17Å; W150-L183 HydrophobicContact CZ3-CD2 3.84Å; W150-L183 HydrophobicContact CZ3-CG 4.03Å; W150-L184 HydrophobicContact CE3-CB 4.44Å; W150-H188 AromaticContact CH2-CD2 3.46Å; W150-H188 VanDerWaalsContact CH2-CD2 3.46Å; W150-H188 WeakPolarHBondContact CH2-CD2 3.38Å; W150-H188 AromaticContact CH2-NE2 3.72Å; W150-H188 AromaticContact CZ3-CD2 3.43Å; W150-H188 VanDerWaalsContact CZ3-CD2 3.43Å; W150-H188 WeakPolarHBondContact CZ3-CD2 3.24Å; W150-H188 AromaticContact CZ3-NE2 3.49Å; W150-H188 WeakPolarHBondContact CZ3-NE2 3.33Å | ||
| 151 | C | 85.1 | Confident | 74.6 | Confident | 47 Ų | 47 | 101.6 Ų | 101.6 | 32% | 0.318 | 53% | 0.525 | S | S | . | . | trans | -146.1 | 145.5 | 158.4 | 60.7 | 0 | 0 | 0 | 0 | 110.1 | H188 | C151-H188 PolarHBondContact O-NE2 3.24Š| ||
| 152 | P | 82.5 | Confident | 76.6 | Confident | 119 Ų | 119 | 102.5 Ų | 102.5 | 77% | 0.773 | 53% | 0.533 | S | S | * | . | trans | -64 | 144.5 | 175.9 | -22 | 33.8 | 0 | 0 | 0 | 112.5 | ||||
| 153 | N | 81 | Confident | 78.8 | Confident | 41 Ų | 41 | 101 Ų | 101 | 22% | 0.219 | 53% | 0.528 | C | S | . | . | trans | -129.8 | 129.9 | 178 | -175.3 | -21.8 | 0 | 0 | 0 | 110.1 | Q155 L156 H188 | N153-Q155 PolarHBondContact O-N 3.17Å; N153-Q155 VanDerWaalsContact O-N 3.11Å; N153-Q155 PolarHBondContact OD1-N 2.73Å; N153-L156 PolarHBondContact O-N 3.21Å; N153-H188 HydrophobicContact CB-CB 4.18Å; N153-H188 WeakPolarHBondContact ND2-CB 3.3Å; N153-H188 PolarHBondContact ND2-ND1 3.37Å | ||
| 154 | T | 76.6 | Confident | 80.7 | Confident | 134 Ų | 134 | 95.4 Ų | 95.4 | 82% | 0.822 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | 0 | -177.3 | 56.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 155 | Q | 74.9 | Confident | 82.5 | Confident | 161 Ų | 161 | 89.4 Ų | 89.4 | 75% | 0.752 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -7.9 | 176.5 | -68.4 | 176.6 | 101.2 | 0 | 0 | 113.6 | N153 | N153-Q155 PolarHBondContact O-N 3.17Å; N153-Q155 VanDerWaalsContact O-N 3.11Å; N153-Q155 PolarHBondContact OD1-N 2.73Å |
| 156 | L | 82.5 | Confident | 84.3 | Confident | 34 Ų | 34 | 84.3 Ų | 84.3 | 18% | 0.178 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -104.9 | 137.9 | 168 | -64.9 | -173.9 | 0 | 0 | 0 | 109.4 | N153 M160 L183 H188 V190 | N153-L156 PolarHBondContact O-N 3.21Å; L156-M160 HydrophobicContact CD2-CE 4.38Å; L156-L183 HydrophobicContact CD1-CD1 4.4Å; L156-L183 HydrophobicContact CD1-CD2 3.81Å; L156-L183 HydrophobicContact CD1-CG 4.34Å; L156-H188 HydrophobicContact CD1-CB 3.8Å; L156-H188 HydrophobicContact CG-CB 4.14Å; L156-V190 HydrophobicContact CD1-CG2 4.2Å; L156-V190 HydrophobicContact CD2-CG2 3.79Å |
| 157 | S | 87 | Confident | 85.4 | Confident | 58 Ų | 58 | 82.7 Ų | 82.7 | 41% | 0.406 | 44% | 0.442 | S | S | . | . | trans | -87.8 | 150.9 | 165.7 | 60.7 | 0 | 0 | 0 | 0 | 110 | N159 M160 L161 | S157-N159 PolarHBondContact O-N 3.15Å; S157-M160 PolarHBondContact O-N 3.48Å; S157-M160 VanDerWaalsContact O-N 3.1Å; S157-M160 WeakPolarHBondContact OG-CE 3.4Å; S157-M160 WeakPolarHBondContact OG-CG 3.2Å; S157-L161 PolarHBondContact O-N 3.32Å; S157-L161 VanDerWaalsContact O-N 3.11Å | ||
| 158 | D | 85.4 | Confident | 86.2 | Confident | 120 Ų | 120 | 74.9 Ų | 74.9 | 64% | 0.642 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -58 | -38.1 | -177.9 | -57.3 | -42.8 | 0 | 0 | 0 | 111.5 | M160 L161 D162 | D158-M160 PolarHBondContact O-N 3.25Å; D158-L161 WeakPolarHBondContact O-CB 3.17Å; D158-L161 PolarHBondContact O-N 3.17Å; D158-L161 VanDerWaalsContact O-N 3.14Å; D158-D162 PolarHBondContact O-N 3.4Å |
| 159 | N | 90.5 | Very high | 86.4 | Confident | 133 Ų | 133 | 75.2 Ų | 75.2 | 71% | 0.711 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -58.8 | -43.3 | 175.9 | -61.3 | 24 | 0 | 0 | 0 | 113.2 | S157 L161 E163 | S157-N159 PolarHBondContact O-N 3.15Å; N159-L161 VanDerWaalsContact C-N 3.32Å; N159-E163 PolarHBondContact O-N 2.77Å |
| 160 | M | 87.9 | Confident | 86.7 | Confident | 89 Ų | 89 | 79.2 Ų | 79.2 | 44% | 0.438 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -71.8 | -30.3 | 178.2 | -68 | -169.7 | -59.1 | 0 | 0 | 111.6 | L156 S157 D158 Y164 | L156-M160 HydrophobicContact CD2-CE 4.38Å; S157-M160 PolarHBondContact O-N 3.48Å; S157-M160 VanDerWaalsContact O-N 3.1Å; S157-M160 WeakPolarHBondContact OG-CE 3.4Å; S157-M160 WeakPolarHBondContact OG-CG 3.2Å; D158-M160 PolarHBondContact O-N 3.25Å; M160-Y164 WeakPolarHBondContact O-CB 3.44Å; M160-Y164 PolarHBondContact O-N 2.89Å; M160-Y164 VanDerWaalsContact O-N 3.09Å |
| 161 | L | 90.5 | Very high | 86.4 | Confident | 23 Ų | 23 | 83 Ų | 83 | 12% | 0.12 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -68.4 | -44.7 | 174.7 | -179.7 | 61.9 | 0 | 0 | 0 | 111.4 | W150 S157 D158 N159 Y164 I165 L180 L183 | W150-L161 HydrophobicContact CH2-CD1 3.65Å; W150-L161 HydrophobicContact CH2-CD2 4.16Å; W150-L161 HydrophobicContact CZ2-CD1 3.99Å; W150-L161 HydrophobicContact CZ2-CD2 3.65Å; W150-L161 HydrophobicContact CZ3-CD1 4.49Å; S157-L161 PolarHBondContact O-N 3.32Å; S157-L161 VanDerWaalsContact O-N 3.11Å; D158-L161 WeakPolarHBondContact O-CB 3.17Å; D158-L161 PolarHBondContact O-N 3.17Å; D158-L161 VanDerWaalsContact O-N 3.14Å; N159-L161 VanDerWaalsContact C-N 3.32Å; L161-Y164 PolarHBondContact O-N 2.73Å; L161-I165 HydrophobicContact CD1-CD1 4.19Å; L161-I165 HydrophobicContact CG-CD1 3.97Å; L161-I165 VanDerWaalsContact O-CG1 3.25Å; L161-I165 WeakPolarHBondContact O-CG1 3.35Å; L161-I165 PolarHBondContact O-N 3Å; L161-L180 HydrophobicContact CD1-CD2 3.83Å; L161-L183 HydrophobicContact CD1-CD2 3.37Å |
| 162 | D | 90.8 | Very high | 86.1 | Confident | 103 Ų | 103 | 83.2 Ų | 83.2 | 55% | 0.551 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65 | -41.6 | 176.8 | -78.8 | -23.3 | 0 | 0 | 0 | 112 | D158 Y164 I165 L166 | D158-D162 PolarHBondContact O-N 3.4Å; D162-Y164 PolarHBondContact O-N 2.7Å; D162-I165 PolarHBondContact O-N 2.86Å; D162-L166 WeakPolarHBondContact O-CB 3.37Å; D162-L166 PolarHBondContact O-N 3Å |
| 163 | E | 92.4 | Very high | 85.9 | Confident | 117 Ų | 117 | 80.3 Ų | 80.3 | 55% | 0.547 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 174.9 | -163.9 | -169.3 | 152.2 | 0 | 0 | 111.7 | N159 L166 M167 | N159-E163 PolarHBondContact O-N 2.77Å; E163-L166 PolarHBondContact O-N 2.87Å; E163-M167 HydrophobicContact CG-CE 4.23Å; E163-M167 PolarHBondContact O-N 2.77Å |
| 164 | Y | 92.7 | Very high | 86 | Confident | 1 Ų | 1 | 78.7 Ų | 78.7 | 0% | 0.004 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62 | -46.7 | 173.8 | 166.9 | -92.2 | 0 | 0 | 0 | 112.4 | M160 L161 D162 L166 M167 A168 A179 L183 V190 S193 L194 L197 | M160-Y164 WeakPolarHBondContact O-CB 3.44Å; M160-Y164 PolarHBondContact O-N 2.89Å; M160-Y164 VanDerWaalsContact O-N 3.09Å; L161-Y164 PolarHBondContact O-N 2.73Å; D162-Y164 PolarHBondContact O-N 2.7Å; Y164-L166 VanDerWaalsContact C-N 3.3Å; Y164-L166 PolarHBondContact O-N 3.37Å; Y164-M167 PolarHBondContact O-N 2.98Å; Y164-A168 WeakPolarHBondContact O-CB 3.45Å; Y164-A168 PolarHBondContact O-N 2.9Å; Y164-A179 HydrophobicContact CE1-CB 3.96Å; Y164-A179 WeakPolarHBondContact CE1-O 3.3Å; Y164-A179 PolarHBondContact OH-O 2.88Å; Y164-A179 VanDerWaalsContact OH-O 3.11Å; Y164-L183 HydrophobicContact CD1-CB 4.49Å; Y164-L183 HydrophobicContact CD1-CD2 3.81Å; Y164-L183 HydrophobicContact CE1-CB 3.78Å; Y164-L183 HydrophobicContact CE1-CD2 3.94Å; Y164-L183 HydrophobicContact CE1-CG 4.31Å; Y164-L183 HydrophobicContact CG-CD2 4.42Å; Y164-V190 HydrophobicContact CD2-CG1 3.95Å; Y164-V190 HydrophobicContact CG-CG1 4.43Å; Y164-S193 PolarHBondContact OH-OG 3.09Å; Y164-L194 HydrophobicContact CD2-CD2 3.64Å; Y164-L194 HydrophobicContact CD2-CG 3.82Å; Y164-L194 HydrophobicContact CE2-CD2 3.9Å; Y164-L194 HydrophobicContact CE2-CG 4.05Å; Y164-L197 HydrophobicContact CE2-CD1 4.41Å |
| 165 | I | 91.9 | Very high | 86.4 | Confident | 21 Ų | 21 | 76.4 Ų | 76.4 | 11% | 0.108 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 178.2 | -68.8 | 163.6 | 0 | 0 | 0 | 110.4 | L161 D162 A168 K169 M176 L180 | L161-I165 HydrophobicContact CD1-CD1 4.19Å; L161-I165 HydrophobicContact CG-CD1 3.97Å; L161-I165 VanDerWaalsContact O-CG1 3.25Å; L161-I165 WeakPolarHBondContact O-CG1 3.35Å; L161-I165 PolarHBondContact O-N 3Å; D162-I165 PolarHBondContact O-N 2.86Å; I165-A168 PolarHBondContact O-N 3.22Å; I165-K169 VanDerWaalsContact O-CB 3.26Å; I165-K169 WeakPolarHBondContact O-CB 3.4Å; I165-K169 PolarHBondContact O-N 3.47Å; I165-M176 HydrophobicContact CG2-CE 4.38Å; I165-M176 HydrophobicContact CG2-CG 4.37Å; I165-L180 HydrophobicContact CD1-CD2 3.94Å; I165-L180 HydrophobicContact CG1-CD2 4.34Å |
| 166 | L | 92.1 | Very high | 86.9 | Confident | 84 Ų | 84 | 74 Ų | 74 | 44% | 0.44 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.9 | -49.4 | 176.5 | -172.4 | 67.3 | 0 | 0 | 0 | 111.1 | D162 E163 Y164 A168 K169 E170 | D162-L166 WeakPolarHBondContact O-CB 3.37Å; D162-L166 PolarHBondContact O-N 3Å; E163-L166 PolarHBondContact O-N 2.87Å; Y164-L166 VanDerWaalsContact C-N 3.3Å; Y164-L166 PolarHBondContact O-N 3.37Å; L166-A168 PolarHBondContact O-N 3.46Å; L166-K169 PolarHBondContact O-N 3.37Å; L166-E170 HydrophobicContact CD1-CG 4.08Å; L166-E170 WeakPolarHBondContact CD1-OE1 3.44Å; L166-E170 HydrophobicContact CG-CG 4.47Å; L166-E170 WeakPolarHBondContact O-CB 3.16Å; L166-E170 WeakPolarHBondContact O-CG 3.4Å; L166-E170 PolarHBondContact O-N 3.06Å |
| 167 | M | 88.8 | Confident | 87.1 | Confident | 44 Ų | 44 | 78.8 Ų | 78.8 | 22% | 0.217 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 177 | -76.7 | -162.9 | -82.4 | 0 | 0 | 112.8 | E163 Y164 K169 K171 L194 | E163-M167 HydrophobicContact CG-CE 4.23Å; E163-M167 PolarHBondContact O-N 2.77Å; Y164-M167 PolarHBondContact O-N 2.98Å; M167-K169 VanDerWaalsContact C-N 3.33Å; M167-K169 PolarHBondContact O-N 2.98Å; M167-K171 WeakPolarHBondContact O-CB 3.4Å; M167-K171 PolarHBondContact O-N 2.88Å; M167-L194 HydrophobicContact CB-CD2 4.16Å; M167-L194 HydrophobicContact CE-CD1 3.85Å; M167-L194 HydrophobicContact CE-CD2 4.21Å |
| 168 | A | 88.9 | Confident | 87.1 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y164 I165 L166 H172 G173 Y174 A179 L197 | Y164-A168 WeakPolarHBondContact O-CB 3.45Å; Y164-A168 PolarHBondContact O-N 2.9Å; I165-A168 PolarHBondContact O-N 3.22Å; L166-A168 PolarHBondContact O-N 3.46Å; A168-H172 CarbonylContact O-C 3.44Å; A168-H172 WeakPolarHBondContact O-CB 3.42Å; A168-H172 PolarHBondContact O-N 3.31Å; A168-G173 PolarHBondContact O-N 3.29Å; A168-Y174 PolarHBondContact O-N 3.18Å; A168-Y174 VanDerWaalsContact O-N 3.09Å; A168-A179 HydrophobicContact CB-CB 3.73Å; A168-L197 HydrophobicContact CB-CD1 3.65Å; A168-L197 HydrophobicContact CB-CD2 4.07Å |
| 169 | K | 85.8 | Confident | 87.3 | Confident | 128 Ų | 128 | 74.3 Ų | 74.3 | 56% | 0.557 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -70.7 | -49.8 | 176.9 | -177.7 | -168.5 | 170.5 | -155 | 0 | 112.3 | I165 L166 M167 G173 Y174 | I165-K169 VanDerWaalsContact O-CB 3.26Å; I165-K169 WeakPolarHBondContact O-CB 3.4Å; I165-K169 PolarHBondContact O-N 3.47Å; L166-K169 PolarHBondContact O-N 3.37Å; M167-K169 VanDerWaalsContact C-N 3.33Å; M167-K169 PolarHBondContact O-N 2.98Å; K169-G173 VanDerWaalsContact O-CA 3.26Å; K169-G173 WeakPolarHBondContact O-CA 3.28Å; K169-G173 PolarHBondContact O-N 3.45Å; K169-Y174 WeakPolarHBondContact CA-O 3.4Å |
| 170 | E | 85.4 | Confident | 87.3 | Confident | 139 Ų | 139 | 69.1 Ų | 69.1 | 65% | 0.65 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -81.5 | -36.1 | -170.6 | -66.9 | -170.3 | 160.8 | 0 | 0 | 113.9 | L166 | L166-E170 HydrophobicContact CD1-CG 4.08Å; L166-E170 WeakPolarHBondContact CD1-OE1 3.44Å; L166-E170 HydrophobicContact CG-CG 4.47Å; L166-E170 WeakPolarHBondContact O-CB 3.16Å; L166-E170 WeakPolarHBondContact O-CG 3.4Å; L166-E170 PolarHBondContact O-N 3.06Å |
| 171 | K | 81.2 | Confident | 87.4 | Confident | 148 Ų | 148 | 66 Ų | 66 | 64% | 0.643 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -90.9 | -23.4 | -179.5 | -63.6 | 177.3 | 179.7 | 169.2 | 0 | 113.6 | M167 | M167-K171 WeakPolarHBondContact O-CB 3.4Å; M167-K171 PolarHBondContact O-N 2.88Å |
| 172 | H | 79.1 | Confident | 87.3 | Confident | 50 Ų | 50 | 66.1 Ų | 66.1 | 23% | 0.231 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -132.2 | 1.4 | -171.7 | -55.1 | -78 | 0 | 0 | 0 | 114.6 | A168 Y174 L197 | A168-H172 CarbonylContact O-C 3.44Å; A168-H172 WeakPolarHBondContact O-CB 3.42Å; A168-H172 PolarHBondContact O-N 3.31Å; H172-Y174 VanDerWaalsContact C-N 3.29Å; H172-Y174 HydrophobicContact CB-CD2 3.57Å; H172-Y174 HydrophobicContact CB-CE2 3.7Å; H172-Y174 WeakPolarHBondContact O-CD2 3.47Å; H172-Y174 PolarHBondContact O-N 3.26Å; H172-L197 HydrophobicContact CB-CB 4.39Å |
| 173 | G | 77.9 | Confident | 87.4 | Confident | 58 Ų | 58 | 61.2 Ų | 61.2 | 60% | 0.598 | 31% | 0.311 | S | S | * | . | trans | 71.5 | 14 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | A168 K169 | A168-G173 PolarHBondContact O-N 3.29Å; K169-G173 VanDerWaalsContact O-CA 3.26Å; K169-G173 WeakPolarHBondContact O-CA 3.28Å; K169-G173 PolarHBondContact O-N 3.45Å | ||
| 174 | Y | 83.4 | Confident | 87.3 | Confident | 8 Ų | 8 | 57.3 Ų | 57.3 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | trans | -70.5 | 136 | -176.6 | -80.1 | -119.2 | 0 | 0 | 0 | 111.9 | A168 K169 H172 Q178 M182 L197 F200 T201 | A168-Y174 PolarHBondContact O-N 3.18Å; A168-Y174 VanDerWaalsContact O-N 3.09Å; K169-Y174 WeakPolarHBondContact CA-O 3.4Å; H172-Y174 VanDerWaalsContact C-N 3.29Å; H172-Y174 HydrophobicContact CB-CD2 3.57Å; H172-Y174 HydrophobicContact CB-CE2 3.7Å; H172-Y174 WeakPolarHBondContact O-CD2 3.47Å; H172-Y174 PolarHBondContact O-N 3.26Å; Y174-Q178 HydrophobicContact CD1-CB 3.68Å; Y174-Q178 HydrophobicContact CE1-CB 4.45Å; Y174-Q178 HydrophobicContact CG-CB 4.46Å; Y174-M182 HydrophobicContact CE1-CE 3.98Å; Y174-L197 HydrophobicContact CD1-CD2 3.87Å; Y174-L197 HydrophobicContact CD2-CD2 4.03Å; Y174-L197 HydrophobicContact CE1-CD2 3.62Å; Y174-L197 HydrophobicContact CE2-CB 4.25Å; Y174-L197 HydrophobicContact CE2-CD2 3.78Å; Y174-L197 WeakPolarHBondContact CE2-O 3.4Å; Y174-L197 HydrophobicContact CG-CD2 4.07Å; Y174-L197 PolarHBondContact OH-O 2.94Å; Y174-F200 WeakPolarHBondContact OH-CB 3.36Å; Y174-F200 PolarHBondContact OH-O 3.31Å; Y174-T201 PolarHBondContact OH-N 3.48Å | ||
| 175 | N | 84.4 | Confident | 87.1 | Confident | 86 Ų | 86 | 66.9 Ų | 66.9 | 46% | 0.46 | 33% | 0.33 | S | S | . | . | trans | -65.6 | 151.7 | 161.6 | -176.8 | 26 | 0 | 0 | 0 | 110 | E177 Q178 A179 | N175-E177 VanDerWaalsContact C-N 3.28Å; N175-E177 PolarHBondContact O-N 2.84Å; N175-Q178 HydrophobicContact CB-CG 4.2Å; N175-Q178 WeakPolarHBondContact O-CA 3.49Å; N175-Q178 WeakPolarHBondContact O-CB 3.45Å; N175-Q178 PolarHBondContact O-N 2.8Å; N175-A179 PolarHBondContact O-N 2.87Å | ||
| 176 | M | 86 | Confident | 87 | Confident | 109 Ų | 109 | 67.2 Ų | 67.2 | 54% | 0.537 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -51.1 | -45 | 179.1 | 180 | -178.4 | -79.5 | 0 | 0 | 112.3 | I165 Q178 A179 L180 | I165-M176 HydrophobicContact CG2-CE 4.38Å; I165-M176 HydrophobicContact CG2-CG 4.37Å; M176-Q178 VanDerWaalsContact C-N 3.3Å; M176-Q178 PolarHBondContact O-N 3.08Å; M176-A179 PolarHBondContact O-N 3.5Å; M176-L180 HydrophobicContact CG-CD1 4.12Å; M176-L180 HydrophobicContact CG-CG 4.5Å; M176-L180 WeakPolarHBondContact O-CB 3.48Å; M176-L180 VanDerWaalsContact O-CG 3.29Å; M176-L180 WeakPolarHBondContact O-CG 3.41Å; M176-L180 PolarHBondContact O-N 3.45Å |
| 177 | E | 87.8 | Confident | 86.8 | Confident | 135 Ų | 135 | 71.8 Ų | 71.8 | 63% | 0.631 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.2 | -32.7 | 177.5 | -62.8 | -177.3 | 149 | 0 | 0 | 113 | V149 N175 G181 | V149-E177 WeakPolarHBondContact CG1-O 3.44Å; N175-E177 VanDerWaalsContact C-N 3.28Å; N175-E177 PolarHBondContact O-N 2.84Å; E177-G181 PolarHBondContact O-N 3.01Å |
| 178 | Q | 86.4 | Confident | 86.8 | Confident | 84 Ų | 84 | 70.7 Ų | 70.7 | 39% | 0.393 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -74.6 | -40.2 | 178.1 | -63.2 | 170.4 | -58.8 | 0 | 0 | 111.1 | Y174 N175 M176 G181 M182 | Y174-Q178 HydrophobicContact CD1-CB 3.68Å; Y174-Q178 HydrophobicContact CE1-CB 4.45Å; Y174-Q178 HydrophobicContact CG-CB 4.46Å; N175-Q178 HydrophobicContact CB-CG 4.2Å; N175-Q178 WeakPolarHBondContact O-CA 3.49Å; N175-Q178 WeakPolarHBondContact O-CB 3.45Å; N175-Q178 PolarHBondContact O-N 2.8Å; M176-Q178 VanDerWaalsContact C-N 3.3Å; M176-Q178 PolarHBondContact O-N 3.08Å; Q178-G181 PolarHBondContact O-N 3.34Å; Q178-M182 PolarHBondContact O-N 3.31Å |
| 179 | A | 90.1 | Very high | 86.8 | Confident | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.008 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.9 | -48.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y164 A168 N175 M176 G181 M182 L183 | Y164-A179 HydrophobicContact CE1-CB 3.96Å; Y164-A179 WeakPolarHBondContact CE1-O 3.3Å; Y164-A179 PolarHBondContact OH-O 2.88Å; Y164-A179 VanDerWaalsContact OH-O 3.11Å; A168-A179 HydrophobicContact CB-CB 3.73Å; N175-A179 PolarHBondContact O-N 2.87Å; M176-A179 PolarHBondContact O-N 3.5Å; A179-G181 VanDerWaalsContact C-N 3.31Å; A179-G181 PolarHBondContact O-N 3.37Å; A179-M182 PolarHBondContact O-N 3.42Å; A179-L183 WeakPolarHBondContact O-CB 3.42Å; A179-L183 PolarHBondContact O-N 2.84Å |
| 180 | L | 90.6 | Very high | 87 | Confident | 24 Ų | 24 | 68.5 Ų | 68.5 | 13% | 0.126 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.1 | -38.9 | 175.1 | -67.2 | 177.5 | 0 | 0 | 0 | 112.3 | V149 W150 L161 I165 M176 L183 L184 | V149-L180 CarbonylContact O-C 3.06Å; W150-L180 HydrophobicContact CB-CB 4.15Å; W150-L180 HydrophobicContact CB-CD1 4.41Å; W150-L180 HydrophobicContact CD2-CB 4.09Å; W150-L180 HydrophobicContact CD2-CD1 4.38Å; W150-L180 HydrophobicContact CD2-CD2 3.78Å; W150-L180 HydrophobicContact CD2-CG 4.3Å; W150-L180 HydrophobicContact CE3-CB 3.9Å; W150-L180 HydrophobicContact CE3-CD2 3.81Å; W150-L180 HydrophobicContact CE3-CG 4.39Å; W150-L180 HydrophobicContact CG-CB 4.22Å; W150-L180 HydrophobicContact CG-CD1 4.12Å; W150-L180 HydrophobicContact CG-CD2 4.38Å; W150-L180 HydrophobicContact CG-CG 4.48Å; W150-L180 HydrophobicContact CH2-CD2 4.03Å; W150-L180 HydrophobicContact CZ2-CD2 4.02Å; W150-L180 HydrophobicContact CZ3-CD2 3.93Å; L161-L180 HydrophobicContact CD1-CD2 3.83Å; I165-L180 HydrophobicContact CD1-CD2 3.94Å; I165-L180 HydrophobicContact CG1-CD2 4.34Å; M176-L180 HydrophobicContact CG-CD1 4.12Å; M176-L180 HydrophobicContact CG-CG 4.5Å; M176-L180 WeakPolarHBondContact O-CB 3.48Å; M176-L180 VanDerWaalsContact O-CG 3.29Å; M176-L180 WeakPolarHBondContact O-CG 3.41Å; M176-L180 PolarHBondContact O-N 3.45Å; L180-L183 PolarHBondContact O-N 3.49Å; L180-L184 WeakPolarHBondContact O-CB 3.39Å; L180-L184 PolarHBondContact O-N 3.34Å |
| 181 | G | 89.1 | Confident | 87.1 | Confident | 22 Ų | 22 | 69.7 Ų | 69.7 | 23% | 0.227 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61 | -43.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V149 E177 Q178 A179 W185 | V149-G181 VanDerWaalsContact O-CA 3.28Å; V149-G181 WeakPolarHBondContact O-CA 3.29Å; V149-G181 PolarHBondContact O-N 3.02Å; E177-G181 PolarHBondContact O-N 3.01Å; Q178-G181 PolarHBondContact O-N 3.34Å; A179-G181 VanDerWaalsContact C-N 3.31Å; A179-G181 PolarHBondContact O-N 3.37Å; G181-W185 WeakPolarHBondContact O-CB 3.21Å; G181-W185 PolarHBondContact O-N 2.85Å |
| 182 | M | 89.6 | Confident | 87.4 | Confident | 26 Ų | 26 | 70.6 Ų | 70.6 | 13% | 0.128 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.6 | -44.2 | 175.4 | -163.1 | 64.6 | 71 | 0 | 0 | 111 | Y174 Q178 A179 L184 W185 H186 S193 L197 F200 | Y174-M182 HydrophobicContact CE1-CE 3.98Å; Q178-M182 PolarHBondContact O-N 3.31Å; A179-M182 PolarHBondContact O-N 3.42Å; M182-L184 VanDerWaalsContact C-N 3.32Å; M182-L184 PolarHBondContact O-N 2.95Å; M182-W185 WeakPolarHBondContact O-CB 3.29Å; M182-W185 PolarHBondContact O-N 3.09Å; M182-W185 VanDerWaalsContact O-N 3.16Å; M182-H186 PolarHBondContact O-CD2 3.01Å; M182-H186 PolarHBondContact O-N 3.11Å; M182-S193 WeakPolarHBondContact CG-OG 3.26Å; M182-L197 HydrophobicContact CG-CD2 4.27Å; M182-F200 HydrophobicContact CE-CB 3.53Å; M182-F200 HydrophobicContact CE-CD2 3.89Å; M182-F200 HydrophobicContact CE-CG 3.91Å; M182-F200 HydrophobicContact SD-CD2 4.19Å |
| 183 | L | 91.3 | Very high | 88 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 177.9 | -172.4 | 58.5 | 0 | 0 | 0 | 112 | W150 L156 L161 Y164 A179 L180 H186 K187 H188 V190 S193 | W150-L183 HydrophobicContact CH2-CD2 3.85Å; W150-L183 HydrophobicContact CH2-CG 4.44Å; W150-L183 HydrophobicContact CZ3-CB 4.17Å; W150-L183 HydrophobicContact CZ3-CD2 3.84Å; W150-L183 HydrophobicContact CZ3-CG 4.03Å; L156-L183 HydrophobicContact CD1-CD1 4.4Å; L156-L183 HydrophobicContact CD1-CD2 3.81Å; L156-L183 HydrophobicContact CD1-CG 4.34Å; L161-L183 HydrophobicContact CD1-CD2 3.37Å; Y164-L183 HydrophobicContact CD1-CB 4.49Å; Y164-L183 HydrophobicContact CD1-CD2 3.81Å; Y164-L183 HydrophobicContact CE1-CB 3.78Å; Y164-L183 HydrophobicContact CE1-CD2 3.94Å; Y164-L183 HydrophobicContact CE1-CG 4.31Å; Y164-L183 HydrophobicContact CG-CD2 4.42Å; A179-L183 WeakPolarHBondContact O-CB 3.42Å; A179-L183 PolarHBondContact O-N 2.84Å; L180-L183 PolarHBondContact O-N 3.49Å; L183-H186 CarbonylContact O-C 3.59Å; L183-H186 PolarHBondContact O-N 3.22Å; L183-K187 PolarHBondContact O-N 2.92Å; L183-H188 WeakPolarHBondContact O-CA 3.37Å; L183-H188 PolarHBondContact O-N 3.35Å; L183-V190 HydrophobicContact CD1-CG2 3.97Å; L183-S193 PolarHBondContact N-OG 3Å |
| 184 | L | 89.9 | Confident | 88.4 | Confident | 36 Ų | 36 | 67.7 Ų | 67.7 | 19% | 0.188 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 172.6 | 179.8 | 63.1 | 0 | 0 | 0 | 112.2 | L148 V149 W150 L180 M182 H186 K187 | L148-L184 HydrophobicContact CD2-CD2 4.25Å; L148-L184 HydrophobicContact CG-CD2 3.97Å; L148-L184 WeakPolarHBondContact O-CD2 3.47Å; V149-L184 VanDerWaalsContact C-CD2 3.48Å; V149-L184 WeakPolarHBondContact O-CD2 3.5Å; W150-L184 HydrophobicContact CE3-CB 4.44Å; L180-L184 WeakPolarHBondContact O-CB 3.39Å; L180-L184 PolarHBondContact O-N 3.34Å; M182-L184 VanDerWaalsContact C-N 3.32Å; M182-L184 PolarHBondContact O-N 2.95Å; L184-H186 VanDerWaalsContact C-N 3.25Å; L184-H186 PolarHBondContact O-N 2.99Å; L184-K187 PolarHBondContact O-N 3.4Å |
| 185 | W | 88.8 | Confident | 88.6 | Confident | 201 Ų | 201 | 70.6 Ų | 70.6 | 76% | 0.761 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -58.4 | -39.2 | 176.2 | -174 | -83.4 | 0 | 0 | 0 | 111.8 | G181 M182 K187 | G181-W185 WeakPolarHBondContact O-CB 3.21Å; G181-W185 PolarHBondContact O-N 2.85Å; M182-W185 WeakPolarHBondContact O-CB 3.29Å; M182-W185 PolarHBondContact O-N 3.09Å; M182-W185 VanDerWaalsContact O-N 3.16Å; W185-K187 PolarHBondContact O-N 3.38Å |
| 186 | H | 89.9 | Confident | 88.6 | Confident | 29 Ų | 29 | 69 Ų | 69 | 13% | 0.134 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 11.9 | 175.2 | -71.5 | -104.2 | 0 | 0 | 0 | 113.8 | M182 L183 L184 H188 D189 R192 D196 | M182-H186 PolarHBondContact O-CD2 3.01Å; M182-H186 PolarHBondContact O-N 3.11Å; L183-H186 CarbonylContact O-C 3.59Å; L183-H186 PolarHBondContact O-N 3.22Å; L184-H186 VanDerWaalsContact C-N 3.25Å; L184-H186 PolarHBondContact O-N 2.99Å; H186-H188 VanDerWaalsContact C-N 3.26Å; H186-H188 PolarHBondContact O-N 3.05Å; H186-D189 HydrophobicContact CB-CB 4.5Å; H186-D189 VanDerWaalsContact O-CB 3.27Å; H186-D189 WeakPolarHBondContact O-CB 3.43Å; H186-D189 PolarHBondContact O-N 3.47Å; H186-D189 VanDerWaalsContact O-N 3.14Å; H186-R192 PolarHBondContact CE1-O 3.25Å; H186-R192 WeakPolarHBondContact ND1-CB 3.45Å; H186-R192 PolarHBondContact ND1-O 2.8Å; H186-D196 IonicContact CE1-OD2 3.12Å; H186-D196 PolarHBondContact CE1-OD2 2.87Å; H186-D196 VanDerWaalsContact CE1-OD2 3.28Å; H186-D196 IonicContact NE2-OD2 3.32Å |
| 187 | K | 87.9 | Confident | 88.5 | Confident | 180 Ų | 180 | 63.8 Ų | 63.8 | 78% | 0.783 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 36.8 | -179.1 | -52.8 | 177.4 | -178.8 | 175.3 | 0 | 113.6 | L183 L184 W185 D189 | L183-K187 PolarHBondContact O-N 2.92Å; L184-K187 PolarHBondContact O-N 3.4Å; W185-K187 PolarHBondContact O-N 3.38Å; K187-D189 VanDerWaalsContact C-N 3.28Å; K187-D189 PolarHBondContact O-N 2.97Å |
| 188 | H | 90 | Very high | 87.9 | Confident | 21 Ų | 21 | 60.1 Ų | 60.1 | 10% | 0.097 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 18.1 | -177.2 | -49.2 | 89.5 | 0 | 0 | 0 | 115 | W150 C151 N153 L156 L183 H186 V190 | W150-H188 AromaticContact CH2-CD2 3.46Å; W150-H188 VanDerWaalsContact CH2-CD2 3.46Å; W150-H188 WeakPolarHBondContact CH2-CD2 3.38Å; W150-H188 AromaticContact CH2-NE2 3.72Å; W150-H188 AromaticContact CZ3-CD2 3.43Å; W150-H188 VanDerWaalsContact CZ3-CD2 3.43Å; W150-H188 WeakPolarHBondContact CZ3-CD2 3.24Å; W150-H188 AromaticContact CZ3-NE2 3.49Å; W150-H188 WeakPolarHBondContact CZ3-NE2 3.33Å; C151-H188 PolarHBondContact O-NE2 3.24Å; N153-H188 HydrophobicContact CB-CB 4.18Å; N153-H188 WeakPolarHBondContact ND2-CB 3.3Å; N153-H188 PolarHBondContact ND2-ND1 3.37Å; L156-H188 HydrophobicContact CD1-CB 3.8Å; L156-H188 HydrophobicContact CG-CB 4.14Å; L183-H188 WeakPolarHBondContact O-CA 3.37Å; L183-H188 PolarHBondContact O-N 3.35Å; H186-H188 VanDerWaalsContact C-N 3.26Å; H186-H188 PolarHBondContact O-N 3.05Å; H188-V190 PolarHBondContact O-N 3.42Å |
| 189 | D | 88.2 | Confident | 87.4 | Confident | 49 Ų | 49 | 61.6 Ų | 61.6 | 26% | 0.262 | 31% | 0.309 | S | S | . | . | trans | -78.7 | 106.9 | 167.6 | -171.3 | -47.5 | 0 | 0 | 0 | 110 | H186 K187 E191 R192 S193 | H186-D189 HydrophobicContact CB-CB 4.5Å; H186-D189 VanDerWaalsContact O-CB 3.27Å; H186-D189 WeakPolarHBondContact O-CB 3.43Å; H186-D189 PolarHBondContact O-N 3.47Å; H186-D189 VanDerWaalsContact O-N 3.14Å; K187-D189 VanDerWaalsContact C-N 3.28Å; K187-D189 PolarHBondContact O-N 2.97Å; D189-E191 PolarHBondContact OD1-N 3.35Å; D189-R192 HydrophobicContact CB-CB 4.29Å; D189-R192 HydrophobicContact CB-CG 4.44Å; D189-R192 WeakPolarHBondContact OD1-CB 3.27Å; D189-R192 WeakPolarHBondContact OD1-CG 3.5Å; D189-R192 PolarHBondContact OD1-N 3.29Å; D189-R192 IonicContact OD1-NE 3.53Å; D189-R192 VanDerWaalsContact OD2-CD 3.3Å; D189-R192 WeakPolarHBondContact OD2-CD 3.2Å; D189-R192 IonicContact OD2-CZ 3.53Å; D189-R192 IonicContact OD2-NE 3.9Å; D189-R192 PolarHBondContact OD2-NE 3.38Å; D189-R192 IonicContact OD2-NH2 3.66Å; D189-S193 VanDerWaalsContact O-CB 3.27Å; D189-S193 WeakPolarHBondContact O-CB 3.35Å; D189-S193 PolarHBondContact O-N 2.93Å; D189-S193 VanDerWaalsContact O-N 3.13Å | ||
| 190 | V | 89.4 | Confident | 86.4 | Confident | 32 Ų | 32 | 67.1 Ų | 67.1 | 19% | 0.194 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67 | -46.2 | -175.7 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | L156 Y164 L183 H188 S193 L194 | L156-V190 HydrophobicContact CD1-CG2 4.2Å; L156-V190 HydrophobicContact CD2-CG2 3.79Å; Y164-V190 HydrophobicContact CD2-CG1 3.95Å; Y164-V190 HydrophobicContact CG-CG1 4.43Å; L183-V190 HydrophobicContact CD1-CG2 3.97Å; H188-V190 PolarHBondContact O-N 3.42Å; V190-S193 PolarHBondContact O-N 2.85Å; V190-L194 HydrophobicContact CG1-CD1 3.87Å; V190-L194 HydrophobicContact CG1-CG 4.3Å; V190-L194 WeakPolarHBondContact O-CG 3.33Å; V190-L194 PolarHBondContact O-N 2.91Å |
| 191 | E | 88.4 | Confident | 85 | Confident | 164 Ų | 164 | 69 Ų | 69 | 77% | 0.766 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.7 | -46.4 | -176.8 | -65.8 | -175.2 | 170.5 | 0 | 0 | 111.7 | D189 S193 L194 A195 | D189-E191 PolarHBondContact OD1-N 3.35Å; E191-S193 VanDerWaalsContact C-N 3.3Å; E191-S193 PolarHBondContact O-N 2.79Å; E191-L194 PolarHBondContact O-N 3Å; E191-A195 PolarHBondContact O-N 2.98Å; E191-A195 VanDerWaalsContact O-N 3.07Å |
| 192 | R | 87.4 | Confident | 83.4 | Confident | 167 Ų | 167 | 70.7 Ų | 70.7 | 63% | 0.63 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.4 | -36.2 | 176.6 | -64.7 | -179.1 | -149.4 | -141.4 | -2.5 | 111.9 | H186 D189 D196 | H186-R192 PolarHBondContact CE1-O 3.25Å; H186-R192 WeakPolarHBondContact ND1-CB 3.45Å; H186-R192 PolarHBondContact ND1-O 2.8Å; D189-R192 HydrophobicContact CB-CB 4.29Å; D189-R192 HydrophobicContact CB-CG 4.44Å; D189-R192 WeakPolarHBondContact OD1-CB 3.27Å; D189-R192 WeakPolarHBondContact OD1-CG 3.5Å; D189-R192 PolarHBondContact OD1-N 3.29Å; D189-R192 IonicContact OD1-NE 3.53Å; D189-R192 VanDerWaalsContact OD2-CD 3.3Å; D189-R192 WeakPolarHBondContact OD2-CD 3.2Å; D189-R192 IonicContact OD2-CZ 3.53Å; D189-R192 IonicContact OD2-NE 3.9Å; D189-R192 PolarHBondContact OD2-NE 3.38Å; D189-R192 IonicContact OD2-NH2 3.66Å; R192-D196 PolarHBondContact O-N 2.91Å |
| 193 | S | 90.8 | Very high | 81.4 | Confident | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67.2 | -45 | 177.9 | -166.2 | 0 | 0 | 0 | 0 | 111.3 | Y164 M182 L183 D189 V190 E191 A195 D196 L197 | Y164-S193 PolarHBondContact OH-OG 3.09Å; M182-S193 WeakPolarHBondContact CG-OG 3.26Å; L183-S193 PolarHBondContact N-OG 3Å; D189-S193 VanDerWaalsContact O-CB 3.27Å; D189-S193 WeakPolarHBondContact O-CB 3.35Å; D189-S193 PolarHBondContact O-N 2.93Å; D189-S193 VanDerWaalsContact O-N 3.13Å; V190-S193 PolarHBondContact O-N 2.85Å; E191-S193 VanDerWaalsContact C-N 3.3Å; E191-S193 PolarHBondContact O-N 2.79Å; S193-A195 VanDerWaalsContact C-N 3.32Å; S193-A195 PolarHBondContact O-N 2.81Å; S193-D196 PolarHBondContact O-N 2.97Å; S193-L197 WeakPolarHBondContact O-CG 3.39Å; S193-L197 PolarHBondContact O-N 3.4Å; S193-L197 VanDerWaalsContact O-N 3.12Å |
| 194 | L | 87.6 | Confident | 79.7 | Confident | 48 Ų | 48 | 83.4 Ų | 83.4 | 25% | 0.251 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.7 | -41.4 | 175.6 | -72.7 | 171.5 | 0 | 0 | 0 | 112.3 | Y164 M167 V190 E191 D196 L197 | Y164-L194 HydrophobicContact CD2-CD2 3.64Å; Y164-L194 HydrophobicContact CD2-CG 3.82Å; Y164-L194 HydrophobicContact CE2-CD2 3.9Å; Y164-L194 HydrophobicContact CE2-CG 4.05Å; M167-L194 HydrophobicContact CB-CD2 4.16Å; M167-L194 HydrophobicContact CE-CD1 3.85Å; M167-L194 HydrophobicContact CE-CD2 4.21Å; V190-L194 HydrophobicContact CG1-CD1 3.87Å; V190-L194 HydrophobicContact CG1-CG 4.3Å; V190-L194 WeakPolarHBondContact O-CG 3.33Å; V190-L194 PolarHBondContact O-N 2.91Å; E191-L194 PolarHBondContact O-N 3Å; L194-D196 VanDerWaalsContact C-N 3.3Å; L194-D196 PolarHBondContact O-N 3.27Å; L194-L197 HydrophobicContact CD2-CD1 3.82Å; L194-L197 PolarHBondContact O-N 3.29Å |
| 195 | A | 87.2 | Confident | 78.4 | Confident | 69 Ų | 69 | 87 Ų | 87 | 57% | 0.57 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.3 | -34.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E191 S193 | E191-A195 PolarHBondContact O-N 2.98Å; E191-A195 VanDerWaalsContact O-N 3.07Å; S193-A195 VanDerWaalsContact C-N 3.32Å; S193-A195 PolarHBondContact O-N 2.81Å |
| 196 | D | 84.7 | Confident | 77.5 | Confident | 52 Ų | 52 | 83.6 Ų | 83.6 | 28% | 0.278 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -92.7 | -10.5 | -179.1 | -92.4 | -40.9 | 0 | 0 | 0 | 114.4 | H186 R192 S193 L194 A198 N199 F200 | H186-D196 IonicContact CE1-OD2 3.12Å; H186-D196 PolarHBondContact CE1-OD2 2.87Å; H186-D196 VanDerWaalsContact CE1-OD2 3.28Å; H186-D196 IonicContact NE2-OD2 3.32Å; R192-D196 PolarHBondContact O-N 2.91Å; S193-D196 PolarHBondContact O-N 2.97Å; L194-D196 VanDerWaalsContact C-N 3.3Å; L194-D196 PolarHBondContact O-N 3.27Å; D196-A198 VanDerWaalsContact C-N 3.27Å; D196-A198 PolarHBondContact O-N 2.98Å; D196-N199 WeakPolarHBondContact O-CB 3.4Å; D196-N199 PolarHBondContact O-N 2.59Å; D196-N199 PolarHBondContact OD1-ND2 3.08Å; D196-F200 HydrophobicContact CB-CD2 4.12Å; D196-F200 HydrophobicContact CB-CE2 4.1Å; D196-F200 WeakPolarHBondContact O-CD2 3.32Å; D196-F200 PolarHBondContact O-N 3.01Å |
| 197 | L | 83.7 | Confident | 76.9 | Confident | 0 Ų | 0 | 83.9 Ų | 83.9 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -53.2 | -43.8 | 176.5 | -76.8 | 175.2 | 0 | 0 | 0 | 112.5 | Y164 A168 H172 Y174 M182 S193 L194 N199 F200 T201 | Y164-L197 HydrophobicContact CE2-CD1 4.41Å; A168-L197 HydrophobicContact CB-CD1 3.65Å; A168-L197 HydrophobicContact CB-CD2 4.07Å; H172-L197 HydrophobicContact CB-CB 4.39Å; Y174-L197 HydrophobicContact CD1-CD2 3.87Å; Y174-L197 HydrophobicContact CD2-CD2 4.03Å; Y174-L197 HydrophobicContact CE1-CD2 3.62Å; Y174-L197 HydrophobicContact CE2-CB 4.25Å; Y174-L197 HydrophobicContact CE2-CD2 3.78Å; Y174-L197 WeakPolarHBondContact CE2-O 3.4Å; Y174-L197 HydrophobicContact CG-CD2 4.07Å; Y174-L197 PolarHBondContact OH-O 2.94Å; M182-L197 HydrophobicContact CG-CD2 4.27Å; S193-L197 WeakPolarHBondContact O-CG 3.39Å; S193-L197 PolarHBondContact O-N 3.4Å; S193-L197 VanDerWaalsContact O-N 3.12Å; L194-L197 HydrophobicContact CD2-CD1 3.82Å; L194-L197 PolarHBondContact O-N 3.29Å; L197-N199 VanDerWaalsContact C-N 3.29Å; L197-N199 PolarHBondContact O-N 2.94Å; L197-F200 PolarHBondContact O-N 3.14Å; L197-T201 PolarHBondContact O-N 3Å; L197-T201 VanDerWaalsContact O-N 3.12Å; L197-T201 PolarHBondContact O-OG1 3Å; L197-T201 VanDerWaalsContact O-OG1 3.08Å |
| 198 | A | 75.4 | Confident | 76.5 | Confident | 57 Ų | 57 | 78.2 Ų | 78.2 | 47% | 0.471 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.1 | -36.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D196 F200 T201 | D196-A198 VanDerWaalsContact C-N 3.27Å; D196-A198 PolarHBondContact O-N 2.98Å; A198-F200 VanDerWaalsContact C-N 3.33Å; A198-F200 PolarHBondContact O-N 3.26Å; A198-T201 PolarHBondContact O-OG1 3.05Å |
| 199 | N | 74.8 | Confident | 76 | Confident | 116 Ų | 116 | 81.8 Ų | 81.8 | 62% | 0.62 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -73.5 | -23.1 | -176.5 | -63.5 | -32.1 | 0 | 0 | 0 | 113.3 | D196 L197 | D196-N199 WeakPolarHBondContact O-CB 3.4Å; D196-N199 PolarHBondContact O-N 2.59Å; D196-N199 PolarHBondContact OD1-ND2 3.08Å; L197-N199 VanDerWaalsContact C-N 3.29Å; L197-N199 PolarHBondContact O-N 2.94Å |
| 200 | F | 69.6 | Low | 75.7 | Confident | 116 Ų | 116 | 85.1 Ų | 85.1 | 51% | 0.509 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -115.1 | 6.8 | -177.8 | -65.4 | -70 | 0 | 0 | 0 | 114.6 | Y174 M182 D196 L197 A198 P202 | Y174-F200 WeakPolarHBondContact OH-CB 3.36Å; Y174-F200 PolarHBondContact OH-O 3.31Å; M182-F200 HydrophobicContact CE-CB 3.53Å; M182-F200 HydrophobicContact CE-CD2 3.89Å; M182-F200 HydrophobicContact CE-CG 3.91Å; M182-F200 HydrophobicContact SD-CD2 4.19Å; D196-F200 HydrophobicContact CB-CD2 4.12Å; D196-F200 HydrophobicContact CB-CE2 4.1Å; D196-F200 WeakPolarHBondContact O-CD2 3.32Å; D196-F200 PolarHBondContact O-N 3.01Å; L197-F200 PolarHBondContact O-N 3.14Å; A198-F200 VanDerWaalsContact C-N 3.33Å; A198-F200 PolarHBondContact O-N 3.26Å; F200-P202 WeakPolarHBondContact O-CD 3.38Å |
| 201 | T | 61.6 | Low | 75.7 | Confident | 64 Ų | 64 | 84.6 Ų | 84.6 | 39% | 0.393 | 44% | 0.442 | S | S | . | . | trans | -45.9 | 111.4 | 175.7 | -49.5 | 0 | 0 | 0 | 0 | 110.6 | Y174 L197 A198 | Y174-T201 PolarHBondContact OH-N 3.48Å; L197-T201 PolarHBondContact O-N 3Å; L197-T201 VanDerWaalsContact O-N 3.12Å; L197-T201 PolarHBondContact O-OG1 3Å; L197-T201 VanDerWaalsContact O-OG1 3.08Å; A198-T201 PolarHBondContact O-OG1 3.05Å | ||
| 202 | P | 54.9 | Low | 75.6 | Confident | 57 Ų | 57 | 80.4 Ų | 80.4 | 37% | 0.37 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 143.7 | 179.5 | -20.3 | 33 | 0 | 0 | 0 | 110.4 | F200 P204 | F200-P202 WeakPolarHBondContact O-CD 3.38Å; P202-P204 WeakPolarHBondContact O-CD 3.33Å |
| 203 | F | 47.6 | Very low | 75.7 | Confident | 210 Ų | 210 | 76.5 Ų | 76.5 | 92% | 0.921 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 123.5 | 163.8 | -115.4 | -91.3 | 0 | 0 | 0 | 107.9 | D205 | F203-D205 PolarHBondContact O-N 3.13Š|
| 204 | P | 56.9 | Low | 75.7 | Confident | 84 Ų | 84 | 79.5 Ų | 79.5 | 55% | 0.545 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 120.5 | -170.4 | 21.9 | -31.5 | 0 | 0 | 0 | 111.4 | P202 E206 | P202-P204 WeakPolarHBondContact O-CD 3.33Å; P204-E206 HydrophobicContact CB-CB 3.97Å; P204-E206 HydrophobicContact CB-CG 3.66Å; P204-E206 PolarHBondContact O-N 2.98Å |
| 205 | D | 61.1 | Low | 75.9 | Confident | 112 Ų | 112 | 77.2 Ų | 77.2 | 60% | 0.599 | 42% | 0.419 | S | S | * | . | trans | -72.4 | 39.8 | 165.4 | -174.5 | 42.6 | 0 | 0 | 0 | 110.2 | F203 K243 | F203-D205 PolarHBondContact O-N 3.13Å; D205-K243 IonicContact OD2-NZ 2.66Å; D205-K243 PolarHBondContact OD2-NZ 3.12Å | ||
| 206 | E | 70.1 | Confident | 76.1 | Confident | 129 Ų | 129 | 77.2 Ų | 77.2 | 60% | 0.603 | 41% | 0.408 | S | S | * | . | trans | -91.1 | 143.3 | -172.8 | -70 | -174 | 149.4 | 0 | 0 | 110.6 | P204 K236 | P204-E206 HydrophobicContact CB-CB 3.97Å; P204-E206 HydrophobicContact CB-CG 3.66Å; P204-E206 PolarHBondContact O-N 2.98Å; E206-K236 PolarHBondContact O-NZ 3.27Å | ||
| 207 | W | 77.9 | Confident | 76.4 | Confident | 34 Ų | 34 | 79.2 Ų | 79.2 | 13% | 0.129 | 42% | 0.415 | C | S | . | . | trans | -90.1 | 114 | 164 | -79.4 | 71.8 | 0 | 0 | 0 | 105.9 | D211 K212 F215 L233 K236 S240 L241 Y244 | W207-D211 HydrophobicContact CD2-CB 4.44Å; W207-D211 HydrophobicContact CE3-CB 3.65Å; W207-D211 HydrophobicContact CZ3-CB 4.13Å; W207-K212 HydrophobicContact CB-CG 4.18Å; W207-K212 HydrophobicContact CE3-CG 4.28Å; W207-K212 WeakPolarHBondContact O-CE 3.47Å; W207-K212 PolarHBondContact O-NZ 3.35Å; W207-F215 HydrophobicContact CH2-CB 4.19Å; W207-F215 AromaticContact CH2-CD2 3.83Å; W207-F215 HydrophobicContact CH2-CD2 3.83Å; W207-F215 HydrophobicContact CH2-CG 4.21Å; W207-F215 HydrophobicContact CZ3-CB 3.68Å; W207-F215 HydrophobicContact CZ3-CD2 4.18Å; W207-F215 HydrophobicContact CZ3-CG 4.09Å; W207-L233 HydrophobicContact CH2-CD1 4.22Å; W207-L233 HydrophobicContact CZ3-CD1 4.14Å; W207-K236 HydrophobicContact CH2-CG 4.39Å; W207-K236 HydrophobicContact CZ2-CG 4.38Å; W207-S240 PolarHBondContact NE1-OG 2.97Å; W207-L241 HydrophobicContact CH2-CD2 3.68Å; W207-L241 HydrophobicContact CZ2-CD2 4.1Å; W207-Y244 HydrophobicContact CB-CD2 4.49Å; W207-Y244 HydrophobicContact CB-CE2 4.48Å; W207-Y244 HydrophobicContact CD2-CD1 4.47Å; W207-Y244 AromaticContact CD2-CD2 3.5Å; W207-Y244 HydrophobicContact CD2-CD2 3.5Å; W207-Y244 HydrophobicContact CD2-CE2 4.04Å; W207-Y244 AromaticContact CD2-CG 3.77Å; W207-Y244 HydrophobicContact CD2-CG 3.77Å; W207-Y244 AromaticContact CE2-CD2 3.78Å; W207-Y244 AromaticContact CE2-CG 3.7Å; W207-Y244 HydrophobicContact CE3-CD1 4.13Å; W207-Y244 AromaticContact CE3-CD2 3.82Å; W207-Y244 HydrophobicContact CE3-CD2 3.82Å; W207-Y244 HydrophobicContact CE3-CE1 4.34Å; W207-Y244 HydrophobicContact CE3-CE2 4.05Å; W207-Y244 AromaticContact CE3-CG 3.89Å; W207-Y244 HydrophobicContact CE3-CG 3.89Å; W207-Y244 AromaticContact CG-CD2 3.8Å; W207-Y244 HydrophobicContact CG-CD2 3.8Å; W207-Y244 HydrophobicContact CG-CE2 4.23Å; W207-Y244 AromaticContact CH2-CD1 3.97Å; W207-Y244 HydrophobicContact CH2-CD1 3.97Å; W207-Y244 AromaticContact CH2-CG 3.87Å; W207-Y244 HydrophobicContact CH2-CG 3.87Å; W207-Y244 HydrophobicContact CZ2-CD1 4.32Å; W207-Y244 HydrophobicContact CZ2-CD2 4.31Å; W207-Y244 AromaticContact CZ2-CG 3.75Å; W207-Y244 HydrophobicContact CZ2-CG 3.75Å; W207-Y244 AromaticContact CZ3-CD1 3.89Å; W207-Y244 HydrophobicContact CZ3-CD1 3.89Å; W207-Y244 HydrophobicContact CZ3-CD2 4.36Å; W207-Y244 HydrophobicContact CZ3-CE1 4.29Å; W207-Y244 AromaticContact CZ3-CG 3.96Å; W207-Y244 HydrophobicContact CZ3-CG 3.96Å | ||
| 208 | T | 80.1 | Confident | 76.7 | Confident | 61 Ų | 61 | 79.2 Ų | 79.2 | 37% | 0.374 | 42% | 0.416 | S | S | . | . | trans | -68.9 | -174.6 | 175.3 | 78.4 | 0 | 0 | 0 | 0 | 110.5 | E210 D211 K212 | T208-E210 WeakPolarHBondContact CB-OE2 3.4Å; T208-E210 PolarHBondContact OG1-N 3.45Å; T208-E210 PolarHBondContact OG1-OE2 3.28Å; T208-D211 WeakPolarHBondContact CG2-OD2 3.38Å; T208-D211 PolarHBondContact N-OD2 3.37Å; T208-D211 PolarHBondContact OG1-N 2.84Å; T208-D211 VanDerWaalsContact OG1-N 3.1Å; T208-D211 PolarHBondContact OG1-OD2 2.84Å; T208-K212 WeakPolarHBondContact O-CD 3.18Å; T208-K212 WeakPolarHBondContact O-CE 3.47Å; T208-K212 WeakPolarHBondContact O-CG 3.39Å; T208-K212 PolarHBondContact O-NZ 3.06Å | ||
| 209 | V | 78.2 | Confident | 77.4 | Confident | 97 Ų | 97 | 78.5 Ų | 78.5 | 59% | 0.588 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -75.3 | -37.9 | 174.1 | 180 | 0 | 0 | 0 | 0 | 109.7 | K212 V213 | V209-K212 PolarHBondContact O-N 3.4Å; V209-V213 WeakPolarHBondContact O-CG2 3.28Å; V209-V213 PolarHBondContact O-N 2.84Å; V209-V213 VanDerWaalsContact O-N 3.13Å |
| 210 | E | 82.3 | Confident | 78 | Confident | 119 Ų | 119 | 77 Ų | 77 | 56% | 0.556 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.8 | -47.9 | 178.9 | -53.1 | 66.4 | -139.6 | 0 | 0 | 110.5 | T208 K212 V213 L214 | T208-E210 WeakPolarHBondContact CB-OE2 3.4Å; T208-E210 PolarHBondContact OG1-N 3.45Å; T208-E210 PolarHBondContact OG1-OE2 3.28Å; E210-K212 VanDerWaalsContact C-N 3.25Å; E210-K212 PolarHBondContact O-N 3.26Å; E210-V213 PolarHBondContact O-N 3.09Å; E210-L214 WeakPolarHBondContact O-CB 3.16Å; E210-L214 WeakPolarHBondContact O-CG 3.26Å; E210-L214 PolarHBondContact O-N 3.42Å |
| 211 | D | 89.3 | Confident | 78.8 | Confident | 20 Ų | 20 | 78.8 Ų | 78.8 | 11% | 0.107 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -53 | -42.4 | 174.4 | -74.6 | -44 | 0 | 0 | 0 | 112.6 | W207 T208 F215 K236 | W207-D211 HydrophobicContact CD2-CB 4.44Å; W207-D211 HydrophobicContact CE3-CB 3.65Å; W207-D211 HydrophobicContact CZ3-CB 4.13Å; T208-D211 WeakPolarHBondContact CG2-OD2 3.38Å; T208-D211 PolarHBondContact N-OD2 3.37Å; T208-D211 PolarHBondContact OG1-N 2.84Å; T208-D211 VanDerWaalsContact OG1-N 3.1Å; T208-D211 PolarHBondContact OG1-OD2 2.84Å; D211-F215 VanDerWaalsContact O-CB 3.31Å; D211-F215 WeakPolarHBondContact O-CB 3.25Å; D211-F215 PolarHBondContact O-N 3.31Å; D211-K236 WeakPolarHBondContact OD1-CE 3.25Å; D211-K236 IonicContact OD1-NZ 3.97Å; D211-K236 WeakPolarHBondContact OD2-CE 3.28Å; D211-K236 IonicContact OD2-NZ 2.68Å; D211-K236 PolarHBondContact OD2-NZ 3.47Å |
| 212 | K | 87.5 | Confident | 80.1 | Confident | 76 Ų | 76 | 78.7 Ų | 78.7 | 33% | 0.33 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -70.9 | -39.7 | -176.8 | -63.8 | 173.7 | -170.6 | 101.5 | 0 | 111.1 | W207 T208 V209 E210 E216 Y244 | W207-K212 HydrophobicContact CB-CG 4.18Å; W207-K212 HydrophobicContact CE3-CG 4.28Å; W207-K212 WeakPolarHBondContact O-CE 3.47Å; W207-K212 PolarHBondContact O-NZ 3.35Å; T208-K212 WeakPolarHBondContact O-CD 3.18Å; T208-K212 WeakPolarHBondContact O-CE 3.47Å; T208-K212 WeakPolarHBondContact O-CG 3.39Å; T208-K212 PolarHBondContact O-NZ 3.06Å; V209-K212 PolarHBondContact O-N 3.4Å; E210-K212 VanDerWaalsContact C-N 3.25Å; E210-K212 PolarHBondContact O-N 3.26Å; K212-E216 WeakPolarHBondContact O-CB 3.27Å; K212-E216 PolarHBondContact O-N 3.35Å; K212-Y244 HydrophobicContact CD-CE2 4.49Å; K212-Y244 HydrophobicContact CG-CE2 3.98Å; K212-Y244 WeakPolarHBondContact CG-OH 3.28Å |
| 213 | V | 89.3 | Confident | 81.6 | Confident | 85 Ų | 85 | 77.3 Ų | 77.3 | 52% | 0.515 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.8 | -46.6 | 175.4 | 174 | 0 | 0 | 0 | 0 | 110.5 | V209 E210 F215 E216 Q217 | V209-V213 WeakPolarHBondContact O-CG2 3.28Å; V209-V213 PolarHBondContact O-N 2.84Å; V209-V213 VanDerWaalsContact O-N 3.13Å; E210-V213 PolarHBondContact O-N 3.09Å; V213-F215 VanDerWaalsContact C-N 3.33Å; V213-F215 PolarHBondContact O-N 2.79Å; V213-E216 PolarHBondContact O-N 3.32Å; V213-Q217 WeakPolarHBondContact O-CB 3.29Å; V213-Q217 PolarHBondContact O-N 2.6Å |
| 214 | L | 90.4 | Very high | 83.6 | Confident | 63 Ų | 63 | 74.6 Ų | 74.6 | 33% | 0.33 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.9 | -41.2 | 175.4 | -74.8 | 170.8 | 0 | 0 | 0 | 112 | E210 A218 M232 L233 | E210-L214 WeakPolarHBondContact O-CB 3.16Å; E210-L214 WeakPolarHBondContact O-CG 3.26Å; E210-L214 PolarHBondContact O-N 3.42Å; L214-A218 WeakPolarHBondContact O-CB 3.44Å; L214-A218 PolarHBondContact O-N 2.87Å; L214-M232 HydrophobicContact CD2-CE 4.41Å; L214-L233 HydrophobicContact CB-CD1 4.47Å; L214-L233 HydrophobicContact CB-CD2 3.81Å; L214-L233 HydrophobicContact CB-CG 4.22Å; L214-L233 HydrophobicContact CD1-CD2 3.91Å |
| 215 | F | 91.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65 | -43.7 | 173.9 | 176.8 | -84.6 | 0 | 0 | 0 | 112.2 | W207 D211 V213 Q217 A218 F219 F226 I229 L233 L241 Y244 Y245 W248 | W207-F215 HydrophobicContact CH2-CB 4.19Å; W207-F215 AromaticContact CH2-CD2 3.83Å; W207-F215 HydrophobicContact CH2-CD2 3.83Å; W207-F215 HydrophobicContact CH2-CG 4.21Å; W207-F215 HydrophobicContact CZ3-CB 3.68Å; W207-F215 HydrophobicContact CZ3-CD2 4.18Å; W207-F215 HydrophobicContact CZ3-CG 4.09Å; D211-F215 VanDerWaalsContact O-CB 3.31Å; D211-F215 WeakPolarHBondContact O-CB 3.25Å; D211-F215 PolarHBondContact O-N 3.31Å; V213-F215 VanDerWaalsContact C-N 3.33Å; V213-F215 PolarHBondContact O-N 2.79Å; F215-Q217 VanDerWaalsContact C-N 3.34Å; F215-Q217 PolarHBondContact O-N 3.45Å; F215-A218 PolarHBondContact O-N 3.35Å; F215-F219 HydrophobicContact CE1-CB 4.24Å; F215-F219 HydrophobicContact CE1-CD2 4.4Å; F215-F219 HydrophobicContact CE1-CG 4.47Å; F215-F219 HydrophobicContact CZ-CD2 4.21Å; F215-F219 WeakPolarHBondContact O-CB 3.41Å; F215-F219 PolarHBondContact O-N 3.02Å; F215-F226 HydrophobicContact CE2-CE1 4.39Å; F215-F226 HydrophobicContact CZ-CE1 4.44Å; F215-I229 HydrophobicContact CD2-CG2 3.84Å; F215-I229 HydrophobicContact CE2-CD1 4.28Å; F215-I229 HydrophobicContact CE2-CG2 4.16Å; F215-L233 HydrophobicContact CB-CD1 3.81Å; F215-L233 HydrophobicContact CD2-CD1 4.46Å; F215-L241 HydrophobicContact CD2-CD2 4.19Å; F215-L241 HydrophobicContact CE2-CB 4.39Å; F215-Y244 HydrophobicContact CB-CE1 4.4Å; F215-Y244 AromaticContact CD1-CD1 3.6Å; F215-Y244 HydrophobicContact CD1-CD1 3.6Å; F215-Y244 AromaticContact CD1-CE1 3.5Å; F215-Y244 HydrophobicContact CD1-CE1 3.5Å; F215-Y244 HydrophobicContact CD2-CD1 4.12Å; F215-Y244 AromaticContact CE1-CD1 3.76Å; F215-Y244 HydrophobicContact CE1-CD1 3.76Å; F215-Y244 AromaticContact CE1-CE1 3.94Å; F215-Y244 HydrophobicContact CE1-CE1 3.94Å; F215-Y244 HydrophobicContact CE2-CD1 4.25Å; F215-Y244 AromaticContact CG-CD1 3.8Å; F215-Y244 HydrophobicContact CG-CD1 3.8Å; F215-Y244 AromaticContact CG-CE1 3.95Å; F215-Y244 HydrophobicContact CG-CE1 3.95Å; F215-Y244 HydrophobicContact CZ-CD1 4.1Å; F215-Y245 HydrophobicContact CZ-CD2 4.4Å; F215-W248 HydrophobicContact CE1-CD2 4.24Å; F215-W248 HydrophobicContact CE1-CE3 4.08Å; F215-W248 HydrophobicContact CE1-CZ3 4.32Å |
| 216 | E | 90.7 | Very high | 86.7 | Confident | 69 Ų | 69 | 69.6 Ų | 69.6 | 32% | 0.322 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 179 | 178.3 | 150.4 | 161 | 0 | 0 | 111.9 | K212 V213 F219 S220 W248 R252 | K212-E216 WeakPolarHBondContact O-CB 3.27Å; K212-E216 PolarHBondContact O-N 3.35Å; V213-E216 PolarHBondContact O-N 3.32Å; E216-F219 PolarHBondContact O-N 3Å; E216-S220 PolarHBondContact O-N 3.13Å; E216-W248 HydrophobicContact CB-CZ2 4.27Å; E216-W248 HydrophobicContact CG-CZ2 3.95Å; E216-W248 WeakPolarHBondContact OE2-CZ2 3.32Å; E216-W248 PolarHBondContact OE2-NE1 2.85Å; E216-R252 IonicContact OE1-CZ 2.79Å; E216-R252 IonicContact OE1-NH1 2.8Å; E216-R252 PolarHBondContact OE1-NH1 3.28Å; E216-R252 IonicContact OE1-NH2 2.86Å; E216-R252 PolarHBondContact OE1-NH2 2.9Å; E216-R252 IonicContact OE2-CZ 3.09Å; E216-R252 IonicContact OE2-NH1 3.14Å; E216-R252 PolarHBondContact OE2-NH1 3.03Å; E216-R252 IonicContact OE2-NH2 2.81Å |
| 217 | Q | 90.4 | Very high | 87.7 | Confident | 94 Ų | 94 | 69.6 Ų | 69.6 | 44% | 0.439 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -71.4 | -42.7 | 176.7 | -169.1 | 170.4 | 10.1 | 0 | 0 | 112.2 | V213 F215 F219 S220 F221 | V213-Q217 WeakPolarHBondContact O-CB 3.29Å; V213-Q217 PolarHBondContact O-N 2.6Å; F215-Q217 VanDerWaalsContact C-N 3.34Å; F215-Q217 PolarHBondContact O-N 3.45Å; Q217-F219 VanDerWaalsContact C-N 3.3Å; Q217-F219 PolarHBondContact O-N 3Å; Q217-S220 PolarHBondContact O-N 3.32Å; Q217-S220 PolarHBondContact O-OG 3.32Å; Q217-F221 HydrophobicContact CG-CD2 4.13Å; Q217-F221 HydrophobicContact CG-CE2 3.77Å; Q217-F221 WeakPolarHBondContact O-CD2 3.47Å; Q217-F221 PolarHBondContact O-N 3.18Å |
| 218 | A | 89.8 | Confident | 88.3 | Confident | 1 Ų | 1 | 73.7 Ų | 73.7 | 1% | 0.008 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.9 | -36.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L214 F215 H222 I229 M232 | L214-A218 WeakPolarHBondContact O-CB 3.44Å; L214-A218 PolarHBondContact O-N 2.87Å; F215-A218 PolarHBondContact O-N 3.35Å; A218-H222 VanDerWaalsContact O-CB 3.27Å; A218-H222 WeakPolarHBondContact O-CB 3.34Å; A218-H222 PolarHBondContact O-N 3.29Å; A218-I229 HydrophobicContact CB-CB 4.29Å; A218-I229 HydrophobicContact CB-CG1 4.03Å; A218-I229 HydrophobicContact CB-CG2 3.98Å; A218-M232 HydrophobicContact CB-CB 3.91Å; A218-M232 HydrophobicContact CB-CG 3.86Å |
| 219 | F | 91.9 | Very high | 88.9 | Confident | 42 Ų | 42 | 70.8 Ų | 70.8 | 18% | 0.184 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -70.6 | -33.5 | 175.9 | -172.9 | -85 | 0 | 0 | 0 | 112.5 | F215 E216 Q217 G223 K224 I229 Y245 W248 | F215-F219 HydrophobicContact CE1-CB 4.24Å; F215-F219 HydrophobicContact CE1-CD2 4.4Å; F215-F219 HydrophobicContact CE1-CG 4.47Å; F215-F219 HydrophobicContact CZ-CD2 4.21Å; F215-F219 WeakPolarHBondContact O-CB 3.41Å; F215-F219 PolarHBondContact O-N 3.02Å; E216-F219 PolarHBondContact O-N 3Å; Q217-F219 VanDerWaalsContact C-N 3.3Å; Q217-F219 PolarHBondContact O-N 3Å; F219-G223 WeakPolarHBondContact CD2-O 3.36Å; F219-G223 WeakPolarHBondContact CE2-O 3.41Å; F219-G223 VanDerWaalsContact O-CA 3.26Å; F219-G223 WeakPolarHBondContact O-CA 3.46Å; F219-G223 PolarHBondContact O-N 3.12Å; F219-K224 HydrophobicContact CE2-CG 4.45Å; F219-I229 HydrophobicContact CB-CD1 4.11Å; F219-I229 HydrophobicContact CD2-CD1 3.91Å; F219-I229 HydrophobicContact CG-CD1 4.49Å; F219-Y245 HydrophobicContact CD2-CD2 4.18Å; F219-Y245 HydrophobicContact CD2-CE2 4.34Å; F219-Y245 AromaticContact CE2-CD2 3.62Å; F219-Y245 HydrophobicContact CE2-CD2 3.62Å; F219-Y245 AromaticContact CE2-CE2 3.38Å; F219-Y245 HydrophobicContact CE2-CE2 3.38Å; F219-Y245 HydrophobicContact CZ-CD2 4.19Å; F219-Y245 AromaticContact CZ-CE2 3.53Å; F219-Y245 HydrophobicContact CZ-CE2 3.53Å; F219-W248 AromaticContact CD1-CH2 3.67Å; F219-W248 HydrophobicContact CD1-CH2 3.67Å; F219-W248 AromaticContact CD1-CZ3 3.95Å; F219-W248 HydrophobicContact CD1-CZ3 3.95Å; F219-W248 HydrophobicContact CE1-CH2 4.11Å; F219-W248 HydrophobicContact CE1-CZ3 4.08Å; F219-W248 HydrophobicContact CG-CH2 4.16Å; F219-W248 HydrophobicContact CG-CZ3 4.27Å; F219-W248 HydrophobicContact CZ-CZ3 4.49Å |
| 220 | S | 87.3 | Confident | 89.6 | Confident | 85 Ų | 85 | 68.5 Ų | 68.5 | 59% | 0.594 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -68.6 | -34.7 | 175.6 | 64.8 | 0 | 0 | 0 | 0 | 112.6 | E216 Q217 | E216-S220 PolarHBondContact O-N 3.13Å; Q217-S220 PolarHBondContact O-N 3.32Å; Q217-S220 PolarHBondContact O-OG 3.32Å |
| 221 | F | 86.6 | Confident | 90 | Very high | 153 Ų | 153 | 69.1 Ų | 69.1 | 67% | 0.671 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -85.1 | -27.3 | 176.2 | -67.9 | -62.2 | 0 | 0 | 0 | 114.9 | Q217 | Q217-F221 HydrophobicContact CG-CD2 4.13Å; Q217-F221 HydrophobicContact CG-CE2 3.77Å; Q217-F221 WeakPolarHBondContact O-CD2 3.47Å; Q217-F221 PolarHBondContact O-N 3.18Å |
| 222 | H | 88.1 | Confident | 89.8 | Confident | 61 Ų | 61 | 72.3 Ų | 72.3 | 28% | 0.282 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -126.2 | 2 | -169.1 | -55.5 | -39.2 | 0 | 0 | 0 | 114.7 | A218 K224 S225 R228 I229 | A218-H222 VanDerWaalsContact O-CB 3.27Å; A218-H222 WeakPolarHBondContact O-CB 3.34Å; A218-H222 PolarHBondContact O-N 3.29Å; H222-K224 PolarHBondContact O-N 3.06Å; H222-S225 VanDerWaalsContact O-CB 3.23Å; H222-S225 WeakPolarHBondContact O-CB 3.26Å; H222-S225 PolarHBondContact O-N 3.4Å; H222-R228 HydrophobicContact CB-CB 4.25Å; H222-R228 HydrophobicContact CB-CG 3.86Å; H222-R228 WeakPolarHBondContact CD2-CG 3.49Å; H222-R228 VanDerWaalsContact CG-CG 3.42Å; H222-R228 PolarHBondContact NE2-NE 3.24Å; H222-I229 HydrophobicContact CB-CG1 4.5Å |
| 223 | G | 87.1 | Confident | 89.8 | Confident | 28 Ų | 28 | 69 Ų | 69 | 29% | 0.289 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | -133 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F219 S225 I229 | F219-G223 WeakPolarHBondContact CD2-O 3.36Å; F219-G223 WeakPolarHBondContact CE2-O 3.41Å; F219-G223 VanDerWaalsContact O-CA 3.26Å; F219-G223 WeakPolarHBondContact O-CA 3.46Å; F219-G223 PolarHBondContact O-N 3.12Å; G223-S225 PolarHBondContact O-N 3.29Å; G223-I229 WeakPolarHBondContact O-CD1 3.26Å |
| 224 | K | 88.8 | Confident | 89.6 | Confident | 153 Ų | 153 | 69.2 Ų | 69.2 | 67% | 0.665 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 9.9 | 179 | -58 | 177.9 | -168.2 | 161.6 | 0 | 114.1 | F219 H222 F226 | F219-K224 HydrophobicContact CE2-CG 4.45Å; H222-K224 PolarHBondContact O-N 3.06Å; K224-F226 VanDerWaalsContact C-N 3.26Å; K224-F226 HydrophobicContact CB-CE2 4.35Å; K224-F226 WeakPolarHBondContact O-CD2 3.49Å; K224-F226 WeakPolarHBondContact O-CE2 3.45Å; K224-F226 PolarHBondContact O-N 3.36Å |
| 225 | S | 90.7 | Very high | 89.2 | Confident | 59 Ų | 59 | 73.3 Ų | 73.3 | 41% | 0.413 | 37% | 0.369 | S | S | . | . | trans | -76.4 | 77.7 | 179.5 | -169.1 | 0 | 0 | 0 | 0 | 110.8 | H222 G223 H227 R228 I229 | H222-S225 VanDerWaalsContact O-CB 3.23Å; H222-S225 WeakPolarHBondContact O-CB 3.26Å; H222-S225 PolarHBondContact O-N 3.4Å; G223-S225 PolarHBondContact O-N 3.29Å; S225-H227 VanDerWaalsContact C-N 3.25Å; S225-H227 PolarHBondContact O-N 3.46Å; S225-R228 CarbonylContact O-C 3.59Å; S225-R228 WeakPolarHBondContact O-CA 3.2Å; S225-R228 WeakPolarHBondContact O-CB 3.3Å; S225-R228 PolarHBondContact O-N 3.2Å; S225-R228 WeakPolarHBondContact OG-CB 3.26Å; S225-I229 PolarHBondContact O-N 2.67Å | ||
| 226 | F | 92 | Very high | 88.9 | Confident | 32 Ų | 32 | 75 Ų | 75 | 14% | 0.14 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.7 | -33.3 | -175.9 | -66.8 | -71.6 | 0 | 0 | 0 | 113.4 | F215 K224 R228 I229 Q230 I238 L241 V242 Y245 | F215-F226 HydrophobicContact CE2-CE1 4.39Å; F215-F226 HydrophobicContact CZ-CE1 4.44Å; K224-F226 VanDerWaalsContact C-N 3.26Å; K224-F226 HydrophobicContact CB-CE2 4.35Å; K224-F226 WeakPolarHBondContact O-CD2 3.49Å; K224-F226 WeakPolarHBondContact O-CE2 3.45Å; K224-F226 PolarHBondContact O-N 3.36Å; F226-R228 VanDerWaalsContact C-N 3.28Å; F226-R228 PolarHBondContact O-N 3.17Å; F226-I229 HydrophobicContact CD1-CD1 4.31Å; F226-I229 PolarHBondContact O-N 3.36Å; F226-Q230 WeakPolarHBondContact O-CB 3.37Å; F226-Q230 PolarHBondContact O-N 2.73Å; F226-I238 HydrophobicContact CB-CG2 4.09Å; F226-L241 HydrophobicContact CD1-CB 3.93Å; F226-L241 WeakPolarHBondContact O-CD1 3.43Å; F226-V242 HydrophobicContact CB-CG2 4.46Å; F226-V242 HydrophobicContact CD1-CG2 3.95Å; F226-V242 HydrophobicContact CD2-CG2 3.71Å; F226-V242 HydrophobicContact CE1-CG2 4.09Å; F226-V242 HydrophobicContact CE2-CG2 3.85Å; F226-V242 HydrophobicContact CG-CG2 3.76Å; F226-V242 HydrophobicContact CZ-CG2 4.04Å; F226-Y245 HydrophobicContact CE1-CG 4.12Å; F226-Y245 AromaticContact CZ-CD1 3.9Å; F226-Y245 HydrophobicContact CZ-CD1 3.9Å; F226-Y245 HydrophobicContact CZ-CD2 4.27Å; F226-Y245 AromaticContact CZ-CG 3.71Å; F226-Y245 HydrophobicContact CZ-CG 3.71Å |
| 227 | H | 92.3 | Very high | 88.8 | Confident | 129 Ų | 129 | 77.1 Ų | 77.1 | 60% | 0.597 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.3 | -33.1 | 172.3 | -63.2 | 105.2 | 0 | 0 | 0 | 112.8 | S225 I238 | S225-H227 VanDerWaalsContact C-N 3.25Å; S225-H227 PolarHBondContact O-N 3.46Å; H227-I238 VanDerWaalsContact CD2-CD1 3.46Å; H227-I238 WeakPolarHBondContact CD2-CD1 3.29Å |
| 228 | R | 90.2 | Very high | 88.8 | Confident | 120 Ų | 120 | 75.4 Ų | 75.4 | 45% | 0.453 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -82.3 | -34 | 176.2 | -177.2 | 57.9 | 174.1 | -157.9 | -8.3 | 112 | H222 S225 F226 Q230 Q231 | H222-R228 HydrophobicContact CB-CB 4.25Å; H222-R228 HydrophobicContact CB-CG 3.86Å; H222-R228 WeakPolarHBondContact CD2-CG 3.49Å; H222-R228 VanDerWaalsContact CG-CG 3.42Å; H222-R228 PolarHBondContact NE2-NE 3.24Å; S225-R228 CarbonylContact O-C 3.59Å; S225-R228 WeakPolarHBondContact O-CA 3.2Å; S225-R228 WeakPolarHBondContact O-CB 3.3Å; S225-R228 PolarHBondContact O-N 3.2Å; S225-R228 WeakPolarHBondContact OG-CB 3.26Å; F226-R228 VanDerWaalsContact C-N 3.28Å; F226-R228 PolarHBondContact O-N 3.17Å; R228-Q230 VanDerWaalsContact C-N 3.29Å; R228-Q230 PolarHBondContact O-N 3.22Å; R228-Q231 WeakPolarHBondContact O-CB 3.29Å; R228-Q231 PolarHBondContact O-N 3.17Å |
| 229 | I | 91.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.9 | -38.7 | 169 | -66.6 | 171.9 | 0 | 0 | 0 | 110.7 | F215 A218 F219 H222 G223 S225 F226 Q231 M232 L233 L241 | F215-I229 HydrophobicContact CD2-CG2 3.84Å; F215-I229 HydrophobicContact CE2-CD1 4.28Å; F215-I229 HydrophobicContact CE2-CG2 4.16Å; A218-I229 HydrophobicContact CB-CB 4.29Å; A218-I229 HydrophobicContact CB-CG1 4.03Å; A218-I229 HydrophobicContact CB-CG2 3.98Å; F219-I229 HydrophobicContact CB-CD1 4.11Å; F219-I229 HydrophobicContact CD2-CD1 3.91Å; F219-I229 HydrophobicContact CG-CD1 4.49Å; H222-I229 HydrophobicContact CB-CG1 4.5Å; G223-I229 WeakPolarHBondContact O-CD1 3.26Å; S225-I229 PolarHBondContact O-N 2.67Å; F226-I229 HydrophobicContact CD1-CD1 4.31Å; F226-I229 PolarHBondContact O-N 3.36Å; I229-Q231 PolarHBondContact O-N 2.9Å; I229-M232 WeakPolarHBondContact O-CA 3.29Å; I229-M232 WeakPolarHBondContact O-CB 3.42Å; I229-M232 PolarHBondContact O-N 3.31Å; I229-L233 HydrophobicContact CG2-CD1 4.45Å; I229-L233 PolarHBondContact O-N 3.23Å; I229-L241 HydrophobicContact CB-CD1 4.36Å; I229-L241 HydrophobicContact CG2-CD1 4.05Å; I229-L241 HydrophobicContact CG2-CD2 4.18Å |
| 230 | Q | 92.7 | Very high | 88.4 | Confident | 49 Ų | 49 | 77.9 Ų | 77.9 | 23% | 0.229 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.7 | -25.8 | 176.4 | -164.6 | 178.8 | 16.4 | 0 | 0 | 113 | F226 R228 M232 L233 P234 L241 | F226-Q230 WeakPolarHBondContact O-CB 3.37Å; F226-Q230 PolarHBondContact O-N 2.73Å; R228-Q230 VanDerWaalsContact C-N 3.29Å; R228-Q230 PolarHBondContact O-N 3.22Å; Q230-M232 PolarHBondContact O-N 3.14Å; Q230-L233 CarbonylContact O-C 3.44Å; Q230-L233 PolarHBondContact O-N 3.11Å; Q230-L233 VanDerWaalsContact O-N 3.11Å; Q230-P234 WeakPolarHBondContact O-CA 3.14Å; Q230-P234 VanDerWaalsContact O-N 3.11Å; Q230-L241 HydrophobicContact CB-CD1 3.77Å; Q230-L241 HydrophobicContact CG-CD1 4.32Å |
| 231 | Q | 91.9 | Very high | 88.6 | Confident | 132 Ų | 132 | 73.8 Ų | 73.8 | 62% | 0.617 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -18.5 | 174.4 | -64.6 | 171.6 | 2 | 0 | 0 | 112.6 | R228 I229 | R228-Q231 WeakPolarHBondContact O-CB 3.29Å; R228-Q231 PolarHBondContact O-N 3.17Å; I229-Q231 PolarHBondContact O-N 2.9Å |
| 232 | M | 84.9 | Confident | 88.8 | Confident | 87 Ų | 87 | 68.7 Ų | 68.7 | 43% | 0.429 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -15.1 | 170 | -65.8 | -73.3 | -63.5 | 0 | 0 | 113.1 | L214 A218 I229 Q230 | L214-M232 HydrophobicContact CD2-CE 4.41Å; A218-M232 HydrophobicContact CB-CB 3.91Å; A218-M232 HydrophobicContact CB-CG 3.86Å; I229-M232 WeakPolarHBondContact O-CA 3.29Å; I229-M232 WeakPolarHBondContact O-CB 3.42Å; I229-M232 PolarHBondContact O-N 3.31Å; Q230-M232 PolarHBondContact O-N 3.14Å |
| 233 | L | 87.9 | Confident | 88.7 | Confident | 7 Ų | 7 | 72.1 Ų | 72.1 | 4% | 0.037 | 37% | 0.372 | C | S | . | . | trans | -140.6 | 66.8 | -175 | -74.7 | 174.5 | 0 | 0 | 0 | 110 | W207 L214 F215 I229 Q230 D235 K236 L241 | W207-L233 HydrophobicContact CH2-CD1 4.22Å; W207-L233 HydrophobicContact CZ3-CD1 4.14Å; L214-L233 HydrophobicContact CB-CD1 4.47Å; L214-L233 HydrophobicContact CB-CD2 3.81Å; L214-L233 HydrophobicContact CB-CG 4.22Å; L214-L233 HydrophobicContact CD1-CD2 3.91Å; F215-L233 HydrophobicContact CB-CD1 3.81Å; F215-L233 HydrophobicContact CD2-CD1 4.46Å; I229-L233 HydrophobicContact CG2-CD1 4.45Å; I229-L233 PolarHBondContact O-N 3.23Å; Q230-L233 CarbonylContact O-C 3.44Å; Q230-L233 PolarHBondContact O-N 3.11Å; Q230-L233 VanDerWaalsContact O-N 3.11Å; L233-D235 VanDerWaalsContact C-N 3.26Å; L233-D235 PolarHBondContact O-N 2.86Å; L233-K236 HydrophobicContact CB-CB 4.26Å; L233-K236 HydrophobicContact CB-CG 4.22Å; L233-K236 PolarHBondContact O-N 3.49Å; L233-K236 VanDerWaalsContact O-N 3.12Å; L233-L241 HydrophobicContact CB-CD2 4.36Å; L233-L241 HydrophobicContact CD1-CD2 4.05Å | ||
| 234 | P | 84.5 | Confident | 88.7 | Confident | 89 Ų | 89 | 72.1 Ų | 72.1 | 58% | 0.578 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -35.5 | -171.4 | 24.2 | -34.3 | 0 | 0 | 0 | 112.7 | Q230 K236 | Q230-P234 WeakPolarHBondContact O-CA 3.14Å; Q230-P234 VanDerWaalsContact O-N 3.11Å; P234-K236 PolarHBondContact O-N 3.18Å |
| 235 | D | 81.9 | Confident | 88.8 | Confident | 149 Ų | 149 | 65.5 Ų | 65.5 | 80% | 0.797 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -9.5 | -178.6 | -54.3 | -53.6 | 0 | 0 | 0 | 113.6 | L233 | L233-D235 VanDerWaalsContact C-N 3.26Å; L233-D235 PolarHBondContact O-N 2.86Å |
| 236 | K | 84.9 | Confident | 88.5 | Confident | 35 Ų | 35 | 69.7 Ų | 69.7 | 15% | 0.152 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -101.9 | 111.5 | 176 | -54.6 | -53.2 | -175.5 | -171.5 | 0 | 110.2 | E206 W207 D211 L233 P234 L241 | E206-K236 PolarHBondContact O-NZ 3.27Å; W207-K236 HydrophobicContact CH2-CG 4.39Å; W207-K236 HydrophobicContact CZ2-CG 4.38Å; D211-K236 WeakPolarHBondContact OD1-CE 3.25Å; D211-K236 IonicContact OD1-NZ 3.97Å; D211-K236 WeakPolarHBondContact OD2-CE 3.28Å; D211-K236 IonicContact OD2-NZ 2.68Å; D211-K236 PolarHBondContact OD2-NZ 3.47Å; L233-K236 HydrophobicContact CB-CB 4.26Å; L233-K236 HydrophobicContact CB-CG 4.22Å; L233-K236 PolarHBondContact O-N 3.49Å; L233-K236 VanDerWaalsContact O-N 3.12Å; P234-K236 PolarHBondContact O-N 3.18Å; K236-L241 HydrophobicContact CB-CD2 3.62Å; K236-L241 HydrophobicContact CB-CG 4.29Å; K236-L241 HydrophobicContact CG-CD2 4.49Å |
| 237 | L | 89.9 | Confident | 87.8 | Confident | 114 Ų | 114 | 71.1 Ų | 71.1 | 60% | 0.597 | 36% | 0.356 | S | S | * | . | trans | -58.8 | 147.6 | 174.6 | -59.4 | -179.9 | 0 | 0 | 0 | 111.5 | S239 S240 L241 | L237-S239 PolarHBondContact O-N 2.66Å; L237-S239 VanDerWaalsContact O-N 3.07Å; L237-S240 WeakPolarHBondContact O-CA 3.49Å; L237-S240 WeakPolarHBondContact O-CB 3.45Å; L237-S240 PolarHBondContact O-N 2.91Å; L237-L241 PolarHBondContact O-N 3.06Å | ||
| 238 | I | 90 | Very high | 87.3 | Confident | 59 Ų | 59 | 66.5 Ų | 66.5 | 30% | 0.303 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -49.6 | -38.8 | 177.9 | -57.8 | 161.7 | 0 | 0 | 0 | 111.8 | F226 H227 S240 L241 V242 | F226-I238 HydrophobicContact CB-CG2 4.09Å; H227-I238 VanDerWaalsContact CD2-CD1 3.46Å; H227-I238 WeakPolarHBondContact CD2-CD1 3.29Å; I238-S240 PolarHBondContact O-N 3.31Å; I238-L241 PolarHBondContact O-N 2.8Å; I238-V242 HydrophobicContact CG2-CG2 4.34Å; I238-V242 WeakPolarHBondContact O-CB 2.84Å; I238-V242 VanDerWaalsContact O-CG2 3.28Å; I238-V242 WeakPolarHBondContact O-CG2 3.36Å; I238-V242 PolarHBondContact O-N 3.32Å |
| 239 | S | 85 | Confident | 86.6 | Confident | 83 Ų | 83 | 64.8 Ų | 64.8 | 58% | 0.58 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.7 | -39.5 | 174.7 | 49.6 | 0 | 0 | 0 | 0 | 113.2 | L237 K243 | L237-S239 PolarHBondContact O-N 2.66Å; L237-S239 VanDerWaalsContact O-N 3.07Å; S239-K243 WeakPolarHBondContact O-CB 3.49Å; S239-K243 PolarHBondContact O-N 3.34Å |
| 240 | S | 87.8 | Confident | 85.3 | Confident | 11 Ų | 11 | 72.5 Ų | 72.5 | 8% | 0.077 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -71.9 | -41.6 | 174.3 | -162 | 0 | 0 | 0 | 0 | 111.3 | W207 L237 I238 V242 K243 Y244 | W207-S240 PolarHBondContact NE1-OG 2.97Å; L237-S240 WeakPolarHBondContact O-CA 3.49Å; L237-S240 WeakPolarHBondContact O-CB 3.45Å; L237-S240 PolarHBondContact O-N 2.91Å; I238-S240 PolarHBondContact O-N 3.31Å; S240-V242 VanDerWaalsContact C-N 3.32Å; S240-V242 PolarHBondContact O-N 3.38Å; S240-K243 PolarHBondContact O-N 3.49Å; S240-Y244 WeakPolarHBondContact O-CB 3.36Å; S240-Y244 PolarHBondContact O-N 3.16Å |
| 241 | L | 90.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.8 | -42.8 | 174 | -58.2 | -178.9 | 0 | 0 | 0 | 112 | W207 F215 F226 I229 Q230 L233 K236 L237 I238 Y245 | W207-L241 HydrophobicContact CH2-CD2 3.68Å; W207-L241 HydrophobicContact CZ2-CD2 4.1Å; F215-L241 HydrophobicContact CD2-CD2 4.19Å; F215-L241 HydrophobicContact CE2-CB 4.39Å; F226-L241 HydrophobicContact CD1-CB 3.93Å; F226-L241 WeakPolarHBondContact O-CD1 3.43Å; I229-L241 HydrophobicContact CB-CD1 4.36Å; I229-L241 HydrophobicContact CG2-CD1 4.05Å; I229-L241 HydrophobicContact CG2-CD2 4.18Å; Q230-L241 HydrophobicContact CB-CD1 3.77Å; Q230-L241 HydrophobicContact CG-CD1 4.32Å; L233-L241 HydrophobicContact CB-CD2 4.36Å; L233-L241 HydrophobicContact CD1-CD2 4.05Å; K236-L241 HydrophobicContact CB-CD2 3.62Å; K236-L241 HydrophobicContact CB-CG 4.29Å; K236-L241 HydrophobicContact CG-CD2 4.49Å; L237-L241 PolarHBondContact O-N 3.06Å; I238-L241 PolarHBondContact O-N 2.8Å; L241-Y245 WeakPolarHBondContact O-CB 3.4Å; L241-Y245 PolarHBondContact O-N 3.44Å |
| 242 | V | 91.8 | Very high | 81.9 | Confident | 46 Ų | 46 | 74.7 Ų | 74.7 | 28% | 0.279 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -72 | -42 | 177.8 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | F226 I238 S240 Y244 Y245 Y246 | F226-V242 HydrophobicContact CB-CG2 4.46Å; F226-V242 HydrophobicContact CD1-CG2 3.95Å; F226-V242 HydrophobicContact CD2-CG2 3.71Å; F226-V242 HydrophobicContact CE1-CG2 4.09Å; F226-V242 HydrophobicContact CE2-CG2 3.85Å; F226-V242 HydrophobicContact CG-CG2 3.76Å; F226-V242 HydrophobicContact CZ-CG2 4.04Å; I238-V242 HydrophobicContact CG2-CG2 4.34Å; I238-V242 WeakPolarHBondContact O-CB 2.84Å; I238-V242 VanDerWaalsContact O-CG2 3.28Å; I238-V242 WeakPolarHBondContact O-CG2 3.36Å; I238-V242 PolarHBondContact O-N 3.32Å; S240-V242 VanDerWaalsContact C-N 3.32Å; S240-V242 PolarHBondContact O-N 3.38Å; V242-Y244 VanDerWaalsContact C-N 3.32Å; V242-Y244 PolarHBondContact O-N 3.32Å; V242-Y245 PolarHBondContact O-N 3.23Å; V242-Y246 HydrophobicContact CG1-CD2 3.94Å; V242-Y246 HydrophobicContact CG1-CE2 3.82Å; V242-Y246 VanDerWaalsContact O-CD2 3.29Å; V242-Y246 WeakPolarHBondContact O-CD2 3.36Å; V242-Y246 PolarHBondContact O-N 3.39Å |
| 243 | K | 86.4 | Confident | 80.4 | Confident | 132 Ų | 132 | 75.4 Ų | 75.4 | 57% | 0.574 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -56.6 | -45.5 | 172.8 | 176.9 | -173.2 | 172.7 | -166.7 | 0 | 110.7 | D205 S239 S240 S247 | D205-K243 IonicContact OD2-NZ 2.66Å; D205-K243 PolarHBondContact OD2-NZ 3.12Å; S239-K243 WeakPolarHBondContact O-CB 3.49Å; S239-K243 PolarHBondContact O-N 3.34Å; S240-K243 PolarHBondContact O-N 3.49Å; K243-S247 PolarHBondContact O-N 2.91Å |
| 244 | Y | 87.6 | Confident | 78.3 | Confident | 29 Ų | 29 | 85.8 Ų | 85.8 | 11% | 0.114 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -68.5 | -43 | 177.2 | -174.5 | -95.4 | 0 | 0 | 0 | 112.6 | W207 K212 F215 S240 V242 Y246 S247 W248 | W207-Y244 HydrophobicContact CB-CD2 4.49Å; W207-Y244 HydrophobicContact CB-CE2 4.48Å; W207-Y244 HydrophobicContact CD2-CD1 4.47Å; W207-Y244 AromaticContact CD2-CD2 3.5Å; W207-Y244 HydrophobicContact CD2-CD2 3.5Å; W207-Y244 HydrophobicContact CD2-CE2 4.04Å; W207-Y244 AromaticContact CD2-CG 3.77Å; W207-Y244 HydrophobicContact CD2-CG 3.77Å; W207-Y244 AromaticContact CE2-CD2 3.78Å; W207-Y244 AromaticContact CE2-CG 3.7Å; W207-Y244 HydrophobicContact CE3-CD1 4.13Å; W207-Y244 AromaticContact CE3-CD2 3.82Å; W207-Y244 HydrophobicContact CE3-CD2 3.82Å; W207-Y244 HydrophobicContact CE3-CE1 4.34Å; W207-Y244 HydrophobicContact CE3-CE2 4.05Å; W207-Y244 AromaticContact CE3-CG 3.89Å; W207-Y244 HydrophobicContact CE3-CG 3.89Å; W207-Y244 AromaticContact CG-CD2 3.8Å; W207-Y244 HydrophobicContact CG-CD2 3.8Å; W207-Y244 HydrophobicContact CG-CE2 4.23Å; W207-Y244 AromaticContact CH2-CD1 3.97Å; W207-Y244 HydrophobicContact CH2-CD1 3.97Å; W207-Y244 AromaticContact CH2-CG 3.87Å; W207-Y244 HydrophobicContact CH2-CG 3.87Å; W207-Y244 HydrophobicContact CZ2-CD1 4.32Å; W207-Y244 HydrophobicContact CZ2-CD2 4.31Å; W207-Y244 AromaticContact CZ2-CG 3.75Å; W207-Y244 HydrophobicContact CZ2-CG 3.75Å; W207-Y244 AromaticContact CZ3-CD1 3.89Å; W207-Y244 HydrophobicContact CZ3-CD1 3.89Å; W207-Y244 HydrophobicContact CZ3-CD2 4.36Å; W207-Y244 HydrophobicContact CZ3-CE1 4.29Å; W207-Y244 AromaticContact CZ3-CG 3.96Å; W207-Y244 HydrophobicContact CZ3-CG 3.96Å; K212-Y244 HydrophobicContact CD-CE2 4.49Å; K212-Y244 HydrophobicContact CG-CE2 3.98Å; K212-Y244 WeakPolarHBondContact CG-OH 3.28Å; F215-Y244 HydrophobicContact CB-CE1 4.4Å; F215-Y244 AromaticContact CD1-CD1 3.6Å; F215-Y244 HydrophobicContact CD1-CD1 3.6Å; F215-Y244 AromaticContact CD1-CE1 3.5Å; F215-Y244 HydrophobicContact CD1-CE1 3.5Å; F215-Y244 HydrophobicContact CD2-CD1 4.12Å; F215-Y244 AromaticContact CE1-CD1 3.76Å; F215-Y244 HydrophobicContact CE1-CD1 3.76Å; F215-Y244 AromaticContact CE1-CE1 3.94Å; F215-Y244 HydrophobicContact CE1-CE1 3.94Å; F215-Y244 HydrophobicContact CE2-CD1 4.25Å; F215-Y244 AromaticContact CG-CD1 3.8Å; F215-Y244 HydrophobicContact CG-CD1 3.8Å; F215-Y244 AromaticContact CG-CE1 3.95Å; F215-Y244 HydrophobicContact CG-CE1 3.95Å; F215-Y244 HydrophobicContact CZ-CD1 4.1Å; S240-Y244 WeakPolarHBondContact O-CB 3.36Å; S240-Y244 PolarHBondContact O-N 3.16Å; V242-Y244 VanDerWaalsContact C-N 3.32Å; V242-Y244 PolarHBondContact O-N 3.32Å; Y244-Y246 VanDerWaalsContact C-N 3.28Å; Y244-Y246 PolarHBondContact O-N 3.04Å; Y244-S247 PolarHBondContact O-N 3.37Å; Y244-S247 VanDerWaalsContact O-N 3.16Å; Y244-S247 PolarHBondContact O-OG 2.92Å; Y244-W248 HydrophobicContact CD1-CB 4.1Å; Y244-W248 HydrophobicContact CE1-CB 3.63Å; Y244-W248 AromaticContact CE1-CD1 3.88Å; Y244-W248 AromaticContact CE1-CG 3.83Å; Y244-W248 HydrophobicContact CE1-CG 3.83Å; Y244-W248 AromaticContact CZ-CD1 3.96Å; Y244-W248 VanDerWaalsContact O-CB 3.27Å; Y244-W248 WeakPolarHBondContact O-CB 3.35Å; Y244-W248 PolarHBondContact O-N 3.49Å |
| 245 | Y | 89.4 | Confident | 76.8 | Confident | 13 Ų | 13 | 86 Ų | 86 | 5% | 0.051 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -52.2 | -46.5 | 175 | 171.9 | -108.3 | 0 | 0 | 0 | 112.4 | F215 F219 F226 L241 V242 W248 K249 | F215-Y245 HydrophobicContact CZ-CD2 4.4Å; F219-Y245 HydrophobicContact CD2-CD2 4.18Å; F219-Y245 HydrophobicContact CD2-CE2 4.34Å; F219-Y245 AromaticContact CE2-CD2 3.62Å; F219-Y245 HydrophobicContact CE2-CD2 3.62Å; F219-Y245 AromaticContact CE2-CE2 3.38Å; F219-Y245 HydrophobicContact CE2-CE2 3.38Å; F219-Y245 HydrophobicContact CZ-CD2 4.19Å; F219-Y245 AromaticContact CZ-CE2 3.53Å; F219-Y245 HydrophobicContact CZ-CE2 3.53Å; F226-Y245 HydrophobicContact CE1-CG 4.12Å; F226-Y245 AromaticContact CZ-CD1 3.9Å; F226-Y245 HydrophobicContact CZ-CD1 3.9Å; F226-Y245 HydrophobicContact CZ-CD2 4.27Å; F226-Y245 AromaticContact CZ-CG 3.71Å; F226-Y245 HydrophobicContact CZ-CG 3.71Å; L241-Y245 WeakPolarHBondContact O-CB 3.4Å; L241-Y245 PolarHBondContact O-N 3.44Å; V242-Y245 PolarHBondContact O-N 3.23Å; Y245-W248 HydrophobicContact CD2-CE3 4.37Å; Y245-W248 HydrophobicContact CD2-CZ3 4.38Å; Y245-W248 HydrophobicContact CE2-CZ3 4.5Å; Y245-K249 HydrophobicContact CE1-CD 4Å; Y245-K249 HydrophobicContact CE2-CB 4.48Å; Y245-K249 HydrophobicContact CE2-CD 4.27Å; Y245-K249 WeakPolarHBondContact O-CB 3.5Å; Y245-K249 PolarHBondContact O-N 3.13Å; Y245-K249 PolarHBondContact OH-NZ 3.32Å |
| 246 | Y | 85.3 | Confident | 75.4 | Confident | 148 Ų | 148 | 81.6 Ų | 81.6 | 58% | 0.58 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -73.4 | -26 | -177.7 | -77.4 | -67 | 0 | 0 | 0 | 114 | V242 Y244 K250 | V242-Y246 HydrophobicContact CG1-CD2 3.94Å; V242-Y246 HydrophobicContact CG1-CE2 3.82Å; V242-Y246 VanDerWaalsContact O-CD2 3.29Å; V242-Y246 WeakPolarHBondContact O-CD2 3.36Å; V242-Y246 PolarHBondContact O-N 3.39Å; Y244-Y246 VanDerWaalsContact C-N 3.28Å; Y244-Y246 PolarHBondContact O-N 3.04Å; Y246-K250 WeakPolarHBondContact O-CB 3.26Å |
| 247 | S | 76.5 | Confident | 73.8 | Confident | 61 Ų | 61 | 85.4 Ų | 85.4 | 43% | 0.427 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -77.8 | -52.6 | 170.5 | 62.1 | 0 | 0 | 0 | 0 | 111.5 | K243 Y244 K249 K250 T251 | K243-S247 PolarHBondContact O-N 2.91Å; Y244-S247 PolarHBondContact O-N 3.37Å; Y244-S247 VanDerWaalsContact O-N 3.16Å; Y244-S247 PolarHBondContact O-OG 2.92Å; S247-K249 PolarHBondContact O-N 3.23Å; S247-K250 WeakPolarHBondContact O-CB 3.42Å; S247-K250 PolarHBondContact O-N 3.46Å; S247-T251 PolarHBondContact O-N 2.95Å; S247-T251 PolarHBondContact O-OG1 3.37Å |
| 248 | W | 82.4 | Confident | 72.4 | Confident | 32 Ų | 32 | 86.3 Ų | 86.3 | 12% | 0.121 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -56 | -47.4 | 178.5 | 172.2 | 90.3 | 0 | 0 | 0 | 112.4 | F215 E216 F219 Y244 Y245 K250 T251 R252 | F215-W248 HydrophobicContact CE1-CD2 4.24Å; F215-W248 HydrophobicContact CE1-CE3 4.08Å; F215-W248 HydrophobicContact CE1-CZ3 4.32Å; E216-W248 HydrophobicContact CB-CZ2 4.27Å; E216-W248 HydrophobicContact CG-CZ2 3.95Å; E216-W248 WeakPolarHBondContact OE2-CZ2 3.32Å; E216-W248 PolarHBondContact OE2-NE1 2.85Å; F219-W248 AromaticContact CD1-CH2 3.67Å; F219-W248 HydrophobicContact CD1-CH2 3.67Å; F219-W248 AromaticContact CD1-CZ3 3.95Å; F219-W248 HydrophobicContact CD1-CZ3 3.95Å; F219-W248 HydrophobicContact CE1-CH2 4.11Å; F219-W248 HydrophobicContact CE1-CZ3 4.08Å; F219-W248 HydrophobicContact CG-CH2 4.16Å; F219-W248 HydrophobicContact CG-CZ3 4.27Å; F219-W248 HydrophobicContact CZ-CZ3 4.49Å; Y244-W248 HydrophobicContact CD1-CB 4.1Å; Y244-W248 HydrophobicContact CE1-CB 3.63Å; Y244-W248 AromaticContact CE1-CD1 3.88Å; Y244-W248 AromaticContact CE1-CG 3.83Å; Y244-W248 HydrophobicContact CE1-CG 3.83Å; Y244-W248 AromaticContact CZ-CD1 3.96Å; Y244-W248 VanDerWaalsContact O-CB 3.27Å; Y244-W248 WeakPolarHBondContact O-CB 3.35Å; Y244-W248 PolarHBondContact O-N 3.49Å; Y245-W248 HydrophobicContact CD2-CE3 4.37Å; Y245-W248 HydrophobicContact CD2-CZ3 4.38Å; Y245-W248 HydrophobicContact CE2-CZ3 4.5Å; W248-K250 VanDerWaalsContact C-N 3.33Å; W248-K250 PolarHBondContact O-N 2.96Å; W248-T251 PolarHBondContact O-N 2.92Å; W248-R252 WeakPolarHBondContact O-CB 3.47Å; W248-R252 PolarHBondContact O-N 3.29Å |
| 249 | K | 75.7 | Confident | 71.2 | Confident | 84 Ų | 84 | 87 Ų | 87 | 37% | 0.365 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -57.6 | -43.9 | 177.2 | -179.1 | -172.9 | -171.1 | 170.6 | 0 | 112.2 | Y245 S247 T251 R252 T253 | Y245-K249 HydrophobicContact CE1-CD 4Å; Y245-K249 HydrophobicContact CE2-CB 4.48Å; Y245-K249 HydrophobicContact CE2-CD 4.27Å; Y245-K249 WeakPolarHBondContact O-CB 3.5Å; Y245-K249 PolarHBondContact O-N 3.13Å; Y245-K249 PolarHBondContact OH-NZ 3.32Å; S247-K249 PolarHBondContact O-N 3.23Å; K249-T251 PolarHBondContact O-N 2.93Å; K249-R252 PolarHBondContact O-N 2.8Å; K249-T253 HydrophobicContact CG-CG2 4.45Å; K249-T253 PolarHBondContact O-N 2.91Å; K249-T253 PolarHBondContact O-OG1 3.47Å; K249-T253 VanDerWaalsContact O-OG1 3.08Å |
| 250 | K | 63.1 | Low | 70.2 | Confident | 163 Ų | 163 | 91.5 Ų | 91.5 | 71% | 0.709 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63 | -29.8 | -177.8 | -172 | 176.8 | 179.8 | -178.3 | 0 | 111.9 | Y246 S247 W248 | Y246-K250 WeakPolarHBondContact O-CB 3.26Å; S247-K250 WeakPolarHBondContact O-CB 3.42Å; S247-K250 PolarHBondContact O-N 3.46Å; W248-K250 VanDerWaalsContact C-N 3.33Å; W248-K250 PolarHBondContact O-N 2.96Å |
| 251 | T | 56.5 | Low | 69.3 | Low | 106 Ų | 106 | 95.9 Ų | 95.9 | 65% | 0.65 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -82.6 | -44.8 | 172.6 | -38.4 | 0 | 0 | 0 | 0 | 111.8 | S247 W248 K249 T253 R254 | S247-T251 PolarHBondContact O-N 2.95Å; S247-T251 PolarHBondContact O-OG1 3.37Å; W248-T251 PolarHBondContact O-N 2.92Å; K249-T251 PolarHBondContact O-N 2.93Å; T251-T253 VanDerWaalsContact C-N 3.3Å; T251-T253 PolarHBondContact O-N 3.23Å; T251-R254 WeakPolarHBondContact O-CB 3.26Å; T251-R254 PolarHBondContact O-N 3.41Å |
| 252 | R | 57.3 | Low | 68.1 | Low | 120 Ų | 120 | 98.2 Ų | 98.2 | 45% | 0.453 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.8 | -33.8 | -176.8 | -163.4 | 178.7 | -169.3 | 85.5 | -7.9 | 113.4 | E216 W248 K249 R254 T255 | E216-R252 IonicContact OE1-CZ 2.79Å; E216-R252 IonicContact OE1-NH1 2.8Å; E216-R252 PolarHBondContact OE1-NH1 3.28Å; E216-R252 IonicContact OE1-NH2 2.86Å; E216-R252 PolarHBondContact OE1-NH2 2.9Å; E216-R252 IonicContact OE2-CZ 3.09Å; E216-R252 IonicContact OE2-NH1 3.14Å; E216-R252 PolarHBondContact OE2-NH1 3.03Å; E216-R252 IonicContact OE2-NH2 2.81Å; W248-R252 WeakPolarHBondContact O-CB 3.47Å; W248-R252 PolarHBondContact O-N 3.29Å; K249-R252 PolarHBondContact O-N 2.8Å; R252-R254 PolarHBondContact O-N 2.99Å; R252-T255 PolarHBondContact O-OG1 3.23Å; R252-T255 VanDerWaalsContact O-OG1 3.06Å |
| 253 | T | 53.4 | Low | 67 | Low | 103 Ų | 103 | 104.2 Ų | 104.2 | 63% | 0.632 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | 4.6 | 176.2 | 56.6 | 0 | 0 | 0 | 0 | 114.6 | K249 T251 | K249-T253 HydrophobicContact CG-CG2 4.45Å; K249-T253 PolarHBondContact O-N 2.91Å; K249-T253 PolarHBondContact O-OG1 3.47Å; K249-T253 VanDerWaalsContact O-OG1 3.08Å; T251-T253 VanDerWaalsContact C-N 3.3Å; T251-T253 PolarHBondContact O-N 3.23Å |
| 254 | R | 43.3 | Very low | 66.1 | Low | 224 Ų | 224 | 105.9 Ų | 105.9 | 85% | 0.845 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 11.4 | 172 | -91.7 | -170.3 | 165.2 | -144.8 | -2.8 | 114.2 | T251 R252 S256 | T251-R254 WeakPolarHBondContact O-CB 3.26Å; T251-R254 PolarHBondContact O-N 3.41Å; R252-R254 PolarHBondContact O-N 2.99Å; R254-S256 PolarHBondContact O-N 2.97Å |
| 255 | T | 53 | Low | 65 | Low | 94 Ų | 94 | 110.6 Ų | 110.6 | 58% | 0.577 | 53% | 0.526 | S | S | * | . | trans | -53.9 | 128.4 | 168 | 20.6 | 0 | 0 | 0 | 0 | 110.3 | R252 D259 | R252-T255 PolarHBondContact O-OG1 3.23Å; R252-T255 VanDerWaalsContact O-OG1 3.06Å; T255-D259 WeakPolarHBondContact CA-OD2 3.49Å; T255-D259 HydrophobicContact CG2-CB 4.26Å | ||
| 256 | S | 53.2 | Low | 64.1 | Low | 56 Ų | 56 | 114.3 Ų | 114.3 | 39% | 0.392 | 55% | 0.546 | S | S | . | . | trans | -65.5 | 155.8 | -176.8 | -179 | 0 | 0 | 0 | 0 | 111.4 | R254 M258 D259 R260 | R254-S256 PolarHBondContact O-N 2.97Å; S256-M258 PolarHBondContact O-N 2.96Å; S256-M258 PolarHBondContact OG-N 2.92Å; S256-M258 VanDerWaalsContact OG-N 3.15Å; S256-D259 WeakPolarHBondContact CB-OD2 3.49Å; S256-D259 PolarHBondContact N-OD2 3.08Å; S256-D259 PolarHBondContact O-N 3.43Å; S256-D259 VanDerWaalsContact O-N 3.14Å; S256-R260 PolarHBondContact O-N 3.34Å; S256-R260 VanDerWaalsContact O-N 3.15Å | ||
| 257 | V | 52.3 | Low | 63 | Low | 115 Ų | 115 | 112.4 Ų | 112.4 | 70% | 0.697 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -56.7 | -31.4 | 166.5 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | R260 Q261 | V257-R260 PolarHBondContact O-N 3.44Å; V257-Q261 PolarHBondContact O-N 3.31Å; V257-Q261 VanDerWaalsContact O-N 3.14Å |
| 258 | M | 59.6 | Low | 62.3 | Low | 133 Ų | 133 | 116.1 Ų | 116.1 | 66% | 0.655 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -71.5 | -40.5 | 175.4 | -59.3 | -162.7 | 76.9 | 0 | 0 | 112.9 | S256 R260 Q261 A262 | S256-M258 PolarHBondContact O-N 2.96Å; S256-M258 PolarHBondContact OG-N 2.92Å; S256-M258 VanDerWaalsContact OG-N 3.15Å; M258-R260 PolarHBondContact O-N 3.27Å; M258-Q261 CarbonylContact O-C 3.58Å; M258-Q261 WeakPolarHBondContact O-CA 3.5Å; M258-Q261 WeakPolarHBondContact O-CB 3.49Å; M258-Q261 PolarHBondContact O-N 2.99Å; M258-A262 PolarHBondContact O-N 3.47Å |
| 259 | D | 64.8 | Low | 61.4 | Low | 75 Ų | 75 | 124.4 Ų | 124.4 | 40% | 0.401 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -58.6 | -36.4 | 173.3 | -57.9 | -32.6 | 0 | 0 | 0 | 111 | T255 S256 Q261 R263 | T255-D259 WeakPolarHBondContact CA-OD2 3.49Å; T255-D259 HydrophobicContact CG2-CB 4.26Å; S256-D259 WeakPolarHBondContact CB-OD2 3.49Å; S256-D259 PolarHBondContact N-OD2 3.08Å; S256-D259 PolarHBondContact O-N 3.43Å; S256-D259 VanDerWaalsContact O-N 3.14Å; D259-Q261 VanDerWaalsContact C-N 3.31Å; D259-R263 WeakPolarHBondContact O-CG 3.42Å; D259-R263 PolarHBondContact O-N 3.32Å; D259-R263 VanDerWaalsContact O-N 3.11Å |
| 260 | R | 64.9 | Low | 60.5 | Low | 176 Ų | 176 | 125.9 Ų | 125.9 | 66% | 0.664 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -73.8 | -20 | 177.3 | -156.7 | 176.6 | -171.6 | -166 | 2.5 | 113.2 | S256 V257 M258 R264 | S256-R260 PolarHBondContact O-N 3.34Å; S256-R260 VanDerWaalsContact O-N 3.15Å; V257-R260 PolarHBondContact O-N 3.44Å; M258-R260 PolarHBondContact O-N 3.27Å; R260-R264 WeakPolarHBondContact O-CD 3.3Å; R260-R264 WeakPolarHBondContact O-CG 3.41Å |
| 261 | Q | 68.6 | Low | 60.2 | Low | 104 Ų | 104 | 126.2 Ų | 126.2 | 49% | 0.486 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -85.2 | -43.9 | 169.4 | -73.3 | 171.8 | -50.9 | 0 | 0 | 111.2 | V257 M258 D259 R263 R264 L265 | V257-Q261 PolarHBondContact O-N 3.31Å; V257-Q261 VanDerWaalsContact O-N 3.14Å; M258-Q261 CarbonylContact O-C 3.58Å; M258-Q261 WeakPolarHBondContact O-CA 3.5Å; M258-Q261 WeakPolarHBondContact O-CB 3.49Å; M258-Q261 PolarHBondContact O-N 2.99Å; D259-Q261 VanDerWaalsContact C-N 3.31Å; Q261-R263 PolarHBondContact O-N 2.98Å; Q261-R264 WeakPolarHBondContact O-CB 3.33Å; Q261-R264 PolarHBondContact O-N 3.33Å; Q261-L265 PolarHBondContact O-N 3.24Å |
| 262 | A | 65.6 | Low | 59.8 | Low | 48 Ų | 48 | 126.9 Ų | 126.9 | 40% | 0.397 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -55.1 | -48.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | M258 R264 L265 I266 | M258-A262 PolarHBondContact O-N 3.47Å; A262-R264 VanDerWaalsContact C-N 3.29Å; A262-R264 PolarHBondContact O-N 3.27Å; A262-L265 PolarHBondContact O-N 3.31Å; A262-L265 VanDerWaalsContact O-N 3.13Å; A262-I266 WeakPolarHBondContact O-CG1 3.41Å; A262-I266 PolarHBondContact O-N 3.41Å |
| 263 | R | 68.4 | Low | 59.1 | Low | 173 Ų | 173 | 128.6 Ų | 128.6 | 65% | 0.653 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61.6 | -33.1 | 176.2 | -70.5 | 177.1 | -179.5 | -95.7 | -1.2 | 113.4 | D259 Q261 I266 N267 | D259-R263 WeakPolarHBondContact O-CG 3.42Å; D259-R263 PolarHBondContact O-N 3.32Å; D259-R263 VanDerWaalsContact O-N 3.11Å; Q261-R263 PolarHBondContact O-N 2.98Å; R263-I266 PolarHBondContact O-N 3.44Å; R263-N267 WeakPolarHBondContact O-CB 3.31Å; R263-N267 PolarHBondContact O-N 3.12Å; R263-N267 PolarHBondContact O-OD1 3.01Å |
| 264 | R | 66.6 | Low | 58.9 | Low | 167 Ų | 167 | 128.5 Ų | 128.5 | 63% | 0.63 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.7 | -32.6 | 175.1 | -76.3 | 172.4 | 168.7 | 173.1 | -8.2 | 113.1 | R260 Q261 A262 K268 | R260-R264 WeakPolarHBondContact O-CD 3.3Å; R260-R264 WeakPolarHBondContact O-CG 3.41Å; Q261-R264 WeakPolarHBondContact O-CB 3.33Å; Q261-R264 PolarHBondContact O-N 3.33Å; A262-R264 VanDerWaalsContact C-N 3.29Å; A262-R264 PolarHBondContact O-N 3.27Å; R264-K268 WeakPolarHBondContact O-CB 3.47Å; R264-K268 PolarHBondContact O-N 2.96Å; R264-K268 VanDerWaalsContact O-N 3.08Å |
| 265 | L | 65.9 | Low | 58.9 | Low | 127 Ų | 127 | 124.8 Ų | 124.8 | 67% | 0.665 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73 | -38.4 | 175.1 | -66.4 | 172.2 | 0 | 0 | 0 | 110.9 | Q261 A262 K268 R269 | Q261-L265 PolarHBondContact O-N 3.24Å; A262-L265 PolarHBondContact O-N 3.31Å; A262-L265 VanDerWaalsContact O-N 3.13Å; L265-K268 PolarHBondContact O-N 3.26Å; L265-R269 PolarHBondContact O-N 3.43Å |
| 266 | I | 68.7 | Low | 58.1 | Low | 92 Ų | 92 | 128.1 Ų | 128.1 | 47% | 0.472 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -62.2 | -55.1 | 173.1 | -65.2 | 163.6 | 0 | 0 | 0 | 110.4 | A262 R263 K268 R269 E270 | A262-I266 WeakPolarHBondContact O-CG1 3.41Å; A262-I266 PolarHBondContact O-N 3.41Å; R263-I266 PolarHBondContact O-N 3.44Å; I266-K268 PolarHBondContact O-N 3.25Å; I266-K268 VanDerWaalsContact O-N 3.13Å; I266-R269 PolarHBondContact O-N 3.18Å; I266-E270 HydrophobicContact CG2-CG 4.31Å; I266-E270 WeakPolarHBondContact CG2-OE1 3.23Å; I266-E270 WeakPolarHBondContact O-CG 3.32Å; I266-E270 PolarHBondContact O-N 3.24Å |
| 267 | N | 62.7 | Low | 57.4 | Low | 107 Ų | 107 | 134.3 Ų | 134.3 | 57% | 0.572 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -66.1 | -13.6 | 177.7 | -72.6 | 131.5 | 0 | 0 | 0 | 114.6 | R263 E270 | R263-N267 WeakPolarHBondContact O-CB 3.31Å; R263-N267 PolarHBondContact O-N 3.12Å; R263-N267 PolarHBondContact O-OD1 3.01Å; N267-E270 WeakPolarHBondContact CA-OE2 3.26Å; N267-E270 PolarHBondContact ND2-OE2 3.13Å |
| 268 | K | 61.4 | Low | 56.9 | Low | 140 Ų | 140 | 136 Ų | 136 | 61% | 0.609 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -78.4 | -45.4 | 166.3 | -175 | 174.5 | 177.4 | -175.6 | 0 | 110.5 | R264 L265 I266 E270 K271 D272 | R264-K268 WeakPolarHBondContact O-CB 3.47Å; R264-K268 PolarHBondContact O-N 2.96Å; R264-K268 VanDerWaalsContact O-N 3.08Å; L265-K268 PolarHBondContact O-N 3.26Å; I266-K268 PolarHBondContact O-N 3.25Å; I266-K268 VanDerWaalsContact O-N 3.13Å; K268-E270 PolarHBondContact O-N 3.39Å; K268-K271 PolarHBondContact O-N 3.33Å; K268-K271 VanDerWaalsContact O-N 3.09Å; K268-D272 PolarHBondContact O-N 3.07Å |
| 269 | R | 64.1 | Low | 55.8 | Low | 206 Ų | 206 | 138.5 Ų | 138.5 | 78% | 0.777 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -63.9 | -41.6 | -179.4 | -156.3 | 177.4 | -167.2 | -153.5 | 0.2 | 112.4 | L265 I266 K271 D272 D273 | L265-R269 PolarHBondContact O-N 3.43Å; I266-R269 PolarHBondContact O-N 3.18Å; R269-K271 PolarHBondContact O-N 2.93Å; R269-K271 VanDerWaalsContact O-N 3.15Å; R269-D272 PolarHBondContact O-N 2.91Å; R269-D273 PolarHBondContact O-N 2.95Å |
| 270 | E | 57.5 | Low | 54.6 | Low | 115 Ų | 115 | 144.1 Ų | 144.1 | 54% | 0.537 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -63 | -14 | 173.8 | -66.8 | 168.2 | 160.4 | 0 | 0 | 114 | I266 N267 K268 | I266-E270 HydrophobicContact CG2-CG 4.31Å; I266-E270 WeakPolarHBondContact CG2-OE1 3.23Å; I266-E270 WeakPolarHBondContact O-CG 3.32Å; I266-E270 PolarHBondContact O-N 3.24Å; N267-E270 WeakPolarHBondContact CA-OE2 3.26Å; N267-E270 PolarHBondContact ND2-OE2 3.13Å; K268-E270 PolarHBondContact O-N 3.39Å |
| 271 | K | 55.4 | Low | 53 | Low | 170 Ų | 170 | 139.7 Ų | 139.7 | 74% | 0.739 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -102.1 | -19.2 | 179.8 | -175.3 | 159.3 | -178.7 | 166.3 | 0 | 113.8 | K268 R269 | K268-K271 PolarHBondContact O-N 3.33Å; K268-K271 VanDerWaalsContact O-N 3.09Å; R269-K271 PolarHBondContact O-N 2.93Å; R269-K271 VanDerWaalsContact O-N 3.15Å |
| 272 | D | 48 | Very low | 51.2 | Low | 119 Ų | 119 | 143.5 Ų | 143.5 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -75.7 | -36.7 | 167.4 | -76.7 | -156.1 | 0 | 0 | 0 | 110.3 | K268 R269 S274 | K268-D272 PolarHBondContact O-N 3.07Å; R269-D272 PolarHBondContact O-N 2.91Å; D272-S274 PolarHBondContact O-N 3.31Å; D272-S274 VanDerWaalsContact O-N 3.08Å |
| 273 | D | 44.4 | Very low | 50.5 | Low | 156 Ų | 156 | 146.4 Ų | 146.4 | 83% | 0.834 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 16.8 | -169.8 | -142.7 | 42.8 | 0 | 0 | 0 | 115.3 | R269 | R269-D273 PolarHBondContact O-N 2.95Š|
| 274 | S | 49 | Very low | 48.7 | Very low | 102 Ų | 102 | 141.7 Ų | 141.7 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140 | 17.7 | -167.4 | -175.5 | 0 | 0 | 0 | 0 | 114.5 | D272 | D272-S274 PolarHBondContact O-N 3.31Å; D272-S274 VanDerWaalsContact O-N 3.08Å |
| 275 | N | 41.9 | Very low | 47.3 | Very low | 146 Ų | 146 | 143 Ų | 143 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | trans | -144 | 74.2 | 178.7 | -169.3 | 105.7 | 0 | 0 | 0 | 110.8 | ||||
| 276 | D | 36.9 | Very low | 45.5 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 87% | 0.872 | 75% | 0.752 | S | S | * | * | trans | -143.8 | 94.4 | 175 | -147.8 | -13.6 | 0 | 0 | 0 | 109.6 | ||||
| 277 | E | 38.8 | Very low | 44 | Very low | 186 Ų | 186 | 143.8 Ų | 143.8 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | trans | -172.6 | 144.7 | 149.8 | -111.9 | 179.8 | 174.2 | 0 | 0 | 111.9 | ||||
| 278 | I | 41.1 | Very low | 42.5 | Very low | 152 Ų | 152 | 146 Ų | 146 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | trans | 90.9 | 96.4 | 158.9 | -126.9 | 154.8 | 0 | 0 | 0 | 121.1 | ||||
| 279 | E | 38 | Very low | 41.1 | Very low | 184 Ų | 184 | 147.7 Ų | 147.7 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | 88.1 | 159.3 | 127.5 | -150.5 | 156.9 | -150.2 | 0 | 0 | 121.7 | |||||
| 280 | E | 38 | Very low | 39.5 | Very low | 194 Ų | 194 | 145.8 Ų | 145.8 | 91% | 0.907 | 78% | 0.781 | S | S | * | * | trans | -97.4 | 164.3 | -154.2 | -54.9 | -176.6 | 131.4 | 0 | 0 | 115.8 | ||||
| 281 | G | 31.3 | Very low | 38.7 | Very low | 82 Ų | 82 | 146.1 Ų | 146.1 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | 166.6 | 119.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 282 | E | 32.4 | Very low | 37.5 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -117 | -175.8 | -176.1 | -142.6 | -141.2 | -175.1 | 0 | 0 | 112.1 | ||||
| 283 | P | 50.2 | Low | 37 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | -100.9 | -177.4 | -86.3 | 37.2 | -26.1 | 0 | 0 | 0 | 114.1 | |||||
| 284 | G | 30.7 | Very low | 36.7 | Very low | 74 Ų | 74 | 145.4 Ų | 145.4 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | trans | -158.4 | 135.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 285 | E | 37.8 | Very low | 35.9 | Very low | 195 Ų | 195 | 150.4 Ų | 150.4 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | -80.5 | 175.9 | 178 | -60.5 | 164.2 | 135.1 | 0 | 0 | 110.1 | ||||
| 286 | D | 27.9 | Very low | 35.4 | Very low | 139 Ų | 139 | 152 Ų | 152 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | cis | -166.1 | 155.7 | 30.2 | -177.6 | 18.6 | 0 | 0 | 0 | 111.8 | ||||
| 287 | S | 36.2 | Very low | 35 | Very low | 96 Ų | 96 | 149 Ų | 149 | 67% | 0.671 | 81% | 0.805 | S | S | * | * | trans | 54.3 | 158 | 154.8 | -72.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 288 | D | 31 | Very low | 34.8 | Very low | 153 Ų | 153 | 145.9 Ų | 145.9 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | cis | -140.5 | 169.3 | 12 | -156.3 | -4.6 | 0 | 0 | 0 | 113.2 | ||||
| 289 | F | 32.8 | Very low | 34.4 | Very low | 176 Ų | 176 | 147.9 Ų | 147.9 | 77% | 0.772 | 80% | 0.801 | S | S | * | * | trans | -76.8 | 178.3 | 177.7 | -136.6 | -147.7 | 0 | 0 | 0 | 110.9 | ||||
| 290 | E | 29.8 | Very low | 34 | Very low | 166 Ų | 166 | 148.6 Ų | 148.6 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | cis | -154.9 | 167 | 40.1 | -125.4 | -168.4 | 160.9 | 0 | 0 | 112.7 | ||||
| 291 | V | 40.8 | Very low | 33.4 | Very low | 122 Ų | 122 | 146.6 Ų | 146.6 | 74% | 0.739 | 80% | 0.8 | S | S | * | * | trans | -140 | 130.4 | 167 | 168.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 292 | D | 30.3 | Very low | 33.1 | Very low | 154 Ų | 154 | 147 Ų | 147 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | -150.6 | -175.7 | 151.6 | -158.6 | -107.7 | 0 | 0 | 0 | 112.3 | ||||
| 293 | A | 37.3 | Very low | 32.8 | Very low | 72 Ų | 72 | 144.1 Ų | 144.1 | 60% | 0.595 | 79% | 0.79 | S | S | * | * | trans | -151.7 | 165.4 | -141.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 294 | K | 38.3 | Very low | 31.6 | Very low | 204 Ų | 204 | 142.8 Ų | 142.8 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | 56 | 108.8 | 137.9 | -173.7 | -172.1 | -174.9 | -179.4 | 0 | 118.8 | ||||
| 295 | K | 31.6 | Very low | 31.4 | Very low | 207 Ų | 207 | 143 Ų | 143 | 90% | 0.9 | 80% | 0.799 | S | S | * | * | trans | -151.2 | 134.8 | 145.6 | -150.9 | 165.7 | -173.9 | 172.7 | 0 | 114.4 | ||||
| 296 | E | 32 | Very low | 31 | Very low | 180 Ų | 180 | 139.2 Ų | 139.2 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | trans | -99.9 | 153.9 | 161.9 | -73 | -167 | 123.7 | 0 | 0 | 110.7 | ||||
| 297 | A | 28.5 | Very low | 30.9 | Very low | 101 Ų | 101 | 139.8 Ų | 139.8 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -153 | 158.4 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 298 | V | 33.9 | Very low | 30.5 | Very low | 120 Ų | 120 | 140 Ų | 140 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -134.2 | 143.8 | -157 | 167.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 299 | K | 34.5 | Very low | 30.5 | Very low | 193 Ų | 193 | 139.5 Ų | 139.5 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | 63.7 | 132.6 | 165.8 | -81.3 | 172.5 | 178.2 | 176.6 | 0 | 118.4 | ||||
| 300 | Q | 29.3 | Very low | 30.4 | Very low | 199 Ų | 199 | 138.8 Ų | 138.8 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | -159.7 | -171.6 | 92.6 | -100.8 | -169.6 | 5.7 | 0 | 0 | 111.3 | |||||
| 301 | N | 24.3 | Very low | 30.4 | Very low | 153 Ų | 153 | 135.1 Ų | 135.1 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -134.1 | 168.5 | -152.6 | -174.7 | 33.9 | 0 | 0 | 0 | 113.9 | ||||
| 302 | S | 26.2 | Very low | 30.9 | Very low | 89 Ų | 89 | 135 Ų | 135 | 62% | 0.622 | 79% | 0.793 | S | S | * | * | trans | 103.6 | 113.8 | 142.7 | 74.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 303 | S | 25.7 | Very low | 31.4 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | 99.7 | 148.3 | 126.6 | 76.8 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 304 | G | 25.5 | Very low | 31 | Very low | 81 Ų | 81 | 135.7 Ų | 135.7 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | 90.1 | 121.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 305 | G | 26.4 | Very low | 30.7 | Very low | 80 Ų | 80 | 137.9 Ų | 137.9 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | cis | 103.6 | 124 | 13.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 306 | S | 28.9 | Very low | 30.6 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | cis | -163 | 142.4 | 5.7 | 57.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 307 | N | 25.3 | Very low | 30.4 | Very low | 151 Ų | 151 | 128.5 Ų | 128.5 | 81% | 0.807 | 80% | 0.796 | S | S | * | * | trans | 58.1 | 124 | 132 | -165 | 26.7 | 0 | 0 | 0 | 122.8 | ||||
| 308 | A | 29.2 | Very low | 31.2 | Very low | 101 Ų | 101 | 130 Ų | 130 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -159.6 | 158.2 | 149.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 309 | E | 29.8 | Very low | 31.1 | Very low | 143 Ų | 143 | 130.2 Ų | 130.2 | 67% | 0.668 | 80% | 0.799 | S | S | * | * | trans | -112.5 | 163.6 | -164 | -93.2 | -150.2 | 107.8 | 0 | 0 | 117.4 | ||||
| 310 | K | 30.8 | Very low | 31.2 | Very low | 160 Ų | 160 | 129.9 Ų | 129.9 | 70% | 0.696 | 80% | 0.798 | S | S | * | * | trans | 72.8 | 119.1 | 140.1 | -84.3 | 175.4 | 174.1 | 86 | 0 | 123.5 | ||||
| 311 | A | 29.7 | Very low | 32.2 | Very low | 89 Ų | 89 | 130.4 Ų | 130.4 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | 79.6 | 148.3 | 120.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 312 | P | 51.9 | Low | 32.6 | Very low | 119 Ų | 119 | 131 Ų | 131 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -91.2 | 170.8 | 179.4 | 39.1 | -37.2 | 0 | 0 | 0 | 113 | ||||
| 313 | P | 40.2 | Very low | 33.5 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 84% | 0.844 | 80% | 0.802 | S | S | * | * | -142.7 | 174.8 | 110.4 | 39.2 | -26.9 | 0 | 0 | 0 | 115.1 | |||||
| 314 | S | 30.1 | Very low | 34.2 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -94.9 | 154.5 | -179.3 | 52.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 315 | R | 30.9 | Very low | 34.7 | Very low | 251 Ų | 251 | 132.3 Ų | 132.3 | 95% | 0.947 | 79% | 0.786 | S | S | * | * | trans | -163.8 | 163.5 | 141.5 | -117.4 | 171.1 | 176.2 | 175.5 | -1.8 | 114.3 | ||||
| 316 | S | 29.5 | Very low | 35.5 | Very low | 121 Ų | 121 | 133 Ų | 133 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -98.8 | 152.7 | -169.9 | 47.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 317 | G | 28.3 | Very low | 36.2 | Very low | 68 Ų | 68 | 136 Ų | 136 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -173.8 | 123.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 318 | P | 45.3 | Very low | 37 | Very low | 133 Ų | 133 | 138.7 Ų | 138.7 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -103.2 | 123.1 | -174.2 | 35.4 | -29.9 | 0 | 0 | 0 | 113.4 | ||||
| 319 | V | 31.9 | Very low | 37.9 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -138.9 | 124.5 | 178 | -173 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 320 | K | 37.1 | Very low | 38.9 | Very low | 187 Ų | 187 | 146.4 Ų | 146.4 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | 47.5 | 103.2 | 157.7 | -64.2 | 172.1 | -175.3 | 176.6 | 0 | 119.4 | E322 | K320-E322 PolarHBondContact O-N 3.37Š| ||
| 321 | K | 48.8 | Very low | 39.6 | Very low | 209 Ų | 209 | 143.4 Ų | 143.4 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | -51.4 | 119.1 | 142.9 | 168.2 | -170.4 | 176.8 | -178.2 | 0 | 110.4 | ||||
| 322 | E | 34.3 | Very low | 41 | Very low | 166 Ų | 166 | 143.6 Ų | 143.6 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -125.3 | 134 | 165.2 | -173.6 | 144.2 | -145.4 | 0 | 0 | 110.7 | K320 I324 | K320-E322 PolarHBondContact O-N 3.37Å; E322-I324 HydrophobicContact CG-CG1 4.4Å; E322-I324 PolarHBondContact O-N 3.08Å | ||
| 323 | S | 44.1 | Very low | 41.1 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | trans | -100.5 | 65.3 | -164.6 | -178.1 | 0 | 0 | 0 | 0 | 111.9 | G325 | S323-G325 PolarHBondContact O-N 3.01Š| ||
| 324 | I | 41.2 | Very low | 41.8 | Very low | 154 Ų | 154 | 146.8 Ų | 146.8 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | -65.3 | 123.5 | -177.5 | -71.3 | 174.3 | 0 | 0 | 0 | 111.9 | E322 | E322-I324 HydrophobicContact CG-CG1 4.4Å; E322-I324 PolarHBondContact O-N 3.08Å | ||
| 325 | G | 35.8 | Very low | 42.9 | Very low | 55 Ų | 55 | 145.2 Ų | 145.2 | 57% | 0.567 | 76% | 0.758 | S | S | * | * | trans | -1.6 | 127.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 120 | S323 Q327 | S323-G325 PolarHBondContact O-N 3.01Å; G325-Q327 PolarHBondContact O-N 3.26Å | ||
| 326 | A | 43.2 | Very low | 44.2 | Very low | 94 Ų | 94 | 143.8 Ų | 143.8 | 78% | 0.777 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -72.5 | 39.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 327 | Q | 42.7 | Very low | 46.1 | Very low | 179 Ų | 179 | 148.2 Ų | 148.2 | 84% | 0.836 | 75% | 0.751 | S | S | * | * | trans | -120 | 47.8 | -175.2 | -71.4 | -167.6 | -32.5 | 0 | 0 | 113 | G325 | G325-Q327 PolarHBondContact O-N 3.26Š| ||
| 328 | Y | 41.8 | Very low | 48.5 | Very low | 207 Ų | 207 | 155.3 Ų | 155.3 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | trans | -139.8 | 26.7 | 165.1 | -115.8 | -78.1 | 0 | 0 | 0 | 113.6 | H330 | Y328-H330 VanDerWaalsContact C-N 3.29Å; Y328-H330 PolarHBondContact O-N 3.26Å | ||
| 329 | R | 49.1 | Very low | 50.5 | Low | 218 Ų | 218 | 151.8 Ų | 151.8 | 82% | 0.823 | 73% | 0.734 | S | S | * | * | trans | -78.6 | 74.6 | 171.3 | -71.3 | -173.5 | 179.5 | 175.9 | 2 | 110.7 | ||||
| 330 | H | 49.5 | Very low | 53.2 | Low | 188 Ų | 188 | 150.4 Ų | 150.4 | 87% | 0.87 | 73% | 0.727 | S | S | * | * | trans | 176.7 | 61.7 | 147.4 | -94.4 | -65.3 | 0 | 0 | 0 | 110.4 | Y328 P332 | Y328-H330 VanDerWaalsContact C-N 3.29Å; Y328-H330 PolarHBondContact O-N 3.26Å; H330-P332 WeakPolarHBondContact O-CD 3.5Å | ||
| 331 | H | 46.4 | Very low | 55.7 | Low | 96 Ų | 96 | 152.1 Ų | 152.1 | 44% | 0.444 | 74% | 0.735 | S | S | . | * | trans | -105.5 | 104.1 | 167.6 | -170.7 | 28.4 | 0 | 0 | 0 | 110.2 | L333 R334 | H331-L333 PolarHBondContact O-N 3.36Å; H331-L333 VanDerWaalsContact O-N 3.12Å; H331-R334 PolarHBondContact O-N 3.23Å; H331-R334 VanDerWaalsContact O-N 3.13Å | ||
| 332 | P | 58.1 | Low | 57.7 | Low | 93 Ų | 93 | 145.1 Ų | 145.1 | 60% | 0.604 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -57.6 | -31.5 | -171.1 | -28.2 | 36 | 0 | 0 | 0 | 114.5 | H330 R334 A335 R336 | H330-P332 WeakPolarHBondContact O-CD 3.5Å; P332-R334 VanDerWaalsContact C-N 3.27Å; P332-R334 PolarHBondContact O-N 3.06Å; P332-A335 PolarHBondContact O-N 3.28Å; P332-R336 PolarHBondContact O-N 3.13Å |
| 333 | L | 54.9 | Low | 60.4 | Low | 113 Ų | 113 | 142.2 Ų | 142.2 | 59% | 0.592 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -68.2 | -23.5 | -177.2 | -54.1 | -174.9 | 0 | 0 | 0 | 113.4 | H331 | H331-L333 PolarHBondContact O-N 3.36Å; H331-L333 VanDerWaalsContact O-N 3.12Å |
| 334 | R | 55 | Low | 62.6 | Low | 203 Ų | 203 | 144.8 Ų | 144.8 | 77% | 0.766 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -86.3 | -24.6 | 178.5 | -138.6 | 172.7 | -168.5 | 134.7 | 1.4 | 112.7 | H331 P332 R336 | H331-R334 PolarHBondContact O-N 3.23Å; H331-R334 VanDerWaalsContact O-N 3.13Å; P332-R334 VanDerWaalsContact C-N 3.27Å; P332-R334 PolarHBondContact O-N 3.06Å; R334-R336 VanDerWaalsContact C-N 3.33Å |
| 335 | A | 53.3 | Low | 65 | Low | 79 Ų | 79 | 142.7 Ų | 142.7 | 65% | 0.653 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -70 | -29.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P332 R337 | P332-A335 PolarHBondContact O-N 3.28Å; A335-R337 PolarHBondContact O-N 3.06Å |
| 336 | R | 56.9 | Low | 67.6 | Low | 220 Ų | 220 | 144.6 Ų | 144.6 | 83% | 0.83 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 0.8 | 177.2 | -76 | -176.8 | 167.2 | -104.6 | 1.9 | 115.5 | P332 R334 | P332-R336 PolarHBondContact O-N 3.13Å; R334-R336 VanDerWaalsContact C-N 3.33Å |
| 337 | R | 70.1 | Confident | 70 | Confident | 214 Ų | 214 | 146.4 Ų | 146.4 | 81% | 0.808 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | 21.6 | -177.7 | -66.4 | -173.7 | 177.3 | -101.6 | 3.7 | 114.4 | A335 | A335-R337 PolarHBondContact O-N 3.06Š|
| 338 | R | 79.4 | Confident | 72.5 | Confident | 217 Ų | 217 | 142.1 Ų | 142.1 | 82% | 0.819 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -135.5 | 148.1 | 174.8 | -70.6 | -173.1 | 173.9 | -172.5 | -4.1 | 110.2 | ||
| 339 | P | 86.2 | Confident | 74.9 | Confident | 59 Ų | 59 | 136.7 Ų | 136.7 | 38% | 0.383 | 66% | 0.66 | S | S | . | * | trans | -61.9 | 156.8 | 175.2 | 26.6 | -34.7 | 0 | 0 | 0 | 111.6 | M343 L345 | P339-M343 HydrophobicContact CB-CB 4.18Å; P339-M343 HydrophobicContact CB-CG 4.15Å; P339-L345 HydrophobicContact CB-CB 4.39Å; P339-L345 HydrophobicContact CB-CD1 4.18Å; P339-L345 HydrophobicContact CB-CG 4.31Å | ||
| 340 | P | 90.3 | Very high | 77 | Confident | 96 Ų | 96 | 129.8 Ų | 129.8 | 62% | 0.623 | 64% | 0.638 | S | S | * | * | trans | -53.8 | 154.4 | 175.5 | -27.5 | 35.6 | 0 | 0 | 0 | 113.4 | G342 M343 | P340-G342 PolarHBondContact O-N 2.88Å; P340-M343 HydrophobicContact CB-CB 4.24Å; P340-M343 WeakPolarHBondContact O-CB 3.49Å; P340-M343 PolarHBondContact O-N 2.98Å | ||
| 341 | K | 88.2 | Confident | 79.2 | Confident | 222 Ų | 222 | 124.4 Ų | 124.4 | 97% | 0.965 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | 114.6 | -179.4 | -177.2 | 65.9 | 174.7 | 179.6 | 0 | 110.8 | ||
| 342 | G | 90.4 | Very high | 81.4 | Confident | 62 Ų | 62 | 122.3 Ų | 122.3 | 64% | 0.639 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100 | -14.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | P340 H344 | P340-G342 PolarHBondContact O-N 2.88Å; G342-H344 PolarHBondContact O-ND1 3.19Å |
| 343 | M | 91.5 | Very high | 83.1 | Confident | 105 Ų | 105 | 121.9 Ų | 121.9 | 52% | 0.517 | 61% | 0.61 | S | S | . | * | trans | -84.6 | 130.3 | 168.8 | -173.8 | 64.2 | 73.8 | 0 | 0 | 109.3 | P339 P340 L345 | P339-M343 HydrophobicContact CB-CB 4.18Å; P339-M343 HydrophobicContact CB-CG 4.15Å; P340-M343 HydrophobicContact CB-CB 4.24Å; P340-M343 WeakPolarHBondContact O-CB 3.49Å; P340-M343 PolarHBondContact O-N 2.98Å; M343-L345 HydrophobicContact CG-CD1 4.27Å; M343-L345 HydrophobicContact CG-CG 4.01Å | ||
| 344 | H | 90.7 | Very high | 84.9 | Confident | 167 Ų | 167 | 120.8 Ų | 120.8 | 77% | 0.773 | 61% | 0.612 | S | S | * | * | trans | -114.6 | 122.9 | 175.7 | -59.1 | 87.4 | 0 | 0 | 0 | 107.6 | G342 | G342-H344 PolarHBondContact O-ND1 3.19Š| ||
| 345 | L | 91.4 | Very high | 86.7 | Confident | 110 Ų | 110 | 116.1 Ų | 116.1 | 58% | 0.576 | 61% | 0.606 | S | S | * | * | trans | -137.3 | 110.9 | 178.6 | -67.3 | 178.4 | 0 | 0 | 0 | 106.5 | P339 M343 I350 | P339-L345 HydrophobicContact CB-CB 4.39Å; P339-L345 HydrophobicContact CB-CD1 4.18Å; P339-L345 HydrophobicContact CB-CG 4.31Å; M343-L345 HydrophobicContact CG-CD1 4.27Å; M343-L345 HydrophobicContact CG-CG 4.01Å; L345-I350 HydrophobicContact CB-CD1 4.21Å; L345-I350 HydrophobicContact CD2-CD1 4.35Å | ||
| 346 | D | 90.8 | Very high | 88.6 | Confident | 95 Ų | 95 | 115.3 Ų | 115.3 | 51% | 0.508 | 60% | 0.596 | S | S | . | * | trans | -116.7 | 150.8 | 171.7 | -152.5 | -27.5 | 0 | 0 | 0 | 109.6 | T348 D349 I350 | D346-T348 VanDerWaalsContact C-N 3.29Å; D346-T348 PolarHBondContact O-N 3.02Å; D346-D349 PolarHBondContact O-N 3.26Å; D346-I350 VanDerWaalsContact O-CG1 3.29Å; D346-I350 WeakPolarHBondContact O-CG1 3.47Å; D346-I350 PolarHBondContact O-N 2.97Å | ||
| 347 | Q | 92.9 | Very high | 90.3 | Very high | 132 Ų | 132 | 113.8 Ų | 113.8 | 62% | 0.617 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.4 | -34.2 | -178.8 | -175.2 | 60.7 | 50.6 | 0 | 0 | 111.2 | T351 | Q347-T351 PolarHBondContact NE2-OG1 2.99Å; Q347-T351 VanDerWaalsContact O-CB 3.26Å; Q347-T351 WeakPolarHBondContact O-CB 3.49Å; Q347-T351 PolarHBondContact O-N 3.14Å; Q347-T351 PolarHBondContact O-OG1 3.05Å |
| 348 | T | 95.1 | Very high | 91.5 | Very high | 89 Ų | 89 | 108 Ų | 108 | 55% | 0.546 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -56.4 | -52.1 | 174.1 | 46.2 | 0 | 0 | 0 | 0 | 111 | D346 T351 A352 | D346-T348 VanDerWaalsContact C-N 3.29Å; D346-T348 PolarHBondContact O-N 3.02Å; T348-T351 PolarHBondContact O-N 3.1Å; T348-A352 WeakPolarHBondContact O-CB 3.21Å; T348-A352 PolarHBondContact O-N 2.96Å |
| 349 | D | 93.6 | Very high | 92.3 | Very high | 93 Ų | 93 | 98.1 Ų | 98.1 | 50% | 0.497 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -72.4 | -44.2 | -170.3 | -58.5 | 11.3 | 0 | 0 | 0 | 109.8 | D346 T351 A352 L353 | D346-D349 PolarHBondContact O-N 3.26Å; D349-T351 VanDerWaalsContact C-N 3.3Å; D349-T351 PolarHBondContact O-N 2.87Å; D349-A352 PolarHBondContact O-N 2.69Å; D349-L353 VanDerWaalsContact O-CB 3.29Å; D349-L353 WeakPolarHBondContact O-CB 3.19Å; D349-L353 WeakPolarHBondContact O-CD1 3.29Å; D349-L353 WeakPolarHBondContact O-CG 3.38Å; D349-L353 PolarHBondContact O-N 3.06Å |
| 350 | I | 93 | Very high | 92.6 | Very high | 72 Ų | 72 | 96.5 Ų | 96.5 | 37% | 0.369 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.4 | -43.7 | 173.5 | -67.9 | 166.8 | 0 | 0 | 0 | 110.7 | L345 D346 S354 | L345-I350 HydrophobicContact CB-CD1 4.21Å; L345-I350 HydrophobicContact CD2-CD1 4.35Å; D346-I350 VanDerWaalsContact O-CG1 3.29Å; D346-I350 WeakPolarHBondContact O-CG1 3.47Å; D346-I350 PolarHBondContact O-N 2.97Å; I350-S354 VanDerWaalsContact O-CB 3.29Å; I350-S354 WeakPolarHBondContact O-CB 3.39Å; I350-S354 PolarHBondContact O-N 2.68Å; I350-S354 VanDerWaalsContact O-N 3.17Å; I350-S354 PolarHBondContact O-OG 3.12Å |
| 351 | T | 94.8 | Very high | 92.9 | Very high | 76 Ų | 76 | 95.7 Ų | 95.7 | 47% | 0.466 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.9 | -46.6 | 179.9 | -51.9 | 0 | 0 | 0 | 0 | 110.9 | Q347 T348 D349 S354 T355 | Q347-T351 PolarHBondContact NE2-OG1 2.99Å; Q347-T351 VanDerWaalsContact O-CB 3.26Å; Q347-T351 WeakPolarHBondContact O-CB 3.49Å; Q347-T351 PolarHBondContact O-N 3.14Å; Q347-T351 PolarHBondContact O-OG1 3.05Å; T348-T351 PolarHBondContact O-N 3.1Å; D349-T351 VanDerWaalsContact C-N 3.3Å; D349-T351 PolarHBondContact O-N 2.87Å; T351-S354 PolarHBondContact O-N 3.49Å; T351-S354 VanDerWaalsContact O-N 3.17Å; T351-T355 WeakPolarHBondContact O-CG2 3.45Å; T351-T355 PolarHBondContact O-N 3.06Å |
| 352 | A | 92.8 | Very high | 93.2 | Very high | 51 Ų | 51 | 90.1 Ų | 90.1 | 42% | 0.421 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.8 | -47.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T348 D349 S354 T355 | T348-A352 WeakPolarHBondContact O-CB 3.21Å; T348-A352 PolarHBondContact O-N 2.96Å; D349-A352 PolarHBondContact O-N 2.69Å; A352-S354 PolarHBondContact O-N 3.04Å; A352-T355 WeakPolarHBondContact O-CB 3.32Å; A352-T355 WeakPolarHBondContact O-CG2 3.39Å; A352-T355 PolarHBondContact O-N 2.99Å; A352-T355 PolarHBondContact O-OG1 3.35Å |
| 353 | L | 93.3 | Very high | 93.5 | Very high | 84 Ų | 84 | 89.1 Ų | 89.1 | 44% | 0.44 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67 | -17 | 177.8 | -65.2 | 168 | 0 | 0 | 0 | 113.3 | D349 | D349-L353 VanDerWaalsContact O-CB 3.29Å; D349-L353 WeakPolarHBondContact O-CB 3.19Å; D349-L353 WeakPolarHBondContact O-CD1 3.29Å; D349-L353 WeakPolarHBondContact O-CG 3.38Å; D349-L353 PolarHBondContact O-N 3.06Å |
| 354 | S | 93.2 | Very high | 93.7 | Very high | 90 Ų | 90 | 88.2 Ų | 88.2 | 63% | 0.629 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 3.9 | 177.9 | -53.9 | 0 | 0 | 0 | 0 | 113.8 | I350 T351 A352 S356 | I350-S354 VanDerWaalsContact O-CB 3.29Å; I350-S354 WeakPolarHBondContact O-CB 3.39Å; I350-S354 PolarHBondContact O-N 2.68Å; I350-S354 VanDerWaalsContact O-N 3.17Å; I350-S354 PolarHBondContact O-OG 3.12Å; T351-S354 PolarHBondContact O-N 3.49Å; T351-S354 VanDerWaalsContact O-N 3.17Å; A352-S354 PolarHBondContact O-N 3.04Å; S354-S356 VanDerWaalsContact C-N 3.34Å; S354-S356 PolarHBondContact O-N 3.29Å |
| 355 | T | 93.6 | Very high | 94 | Very high | 105 Ų | 105 | 88.3 Ų | 88.3 | 64% | 0.644 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -69.2 | -27.8 | -177.2 | 51.7 | 0 | 0 | 0 | 0 | 113.9 | T351 A352 | T351-T355 WeakPolarHBondContact O-CG2 3.45Å; T351-T355 PolarHBondContact O-N 3.06Å; A352-T355 WeakPolarHBondContact O-CB 3.32Å; A352-T355 WeakPolarHBondContact O-CG2 3.39Å; A352-T355 PolarHBondContact O-N 2.99Å; A352-T355 PolarHBondContact O-OG1 3.35Å |
| 356 | S | 93.3 | Very high | 94.3 | Very high | 63 Ų | 63 | 88.4 Ų | 88.4 | 44% | 0.441 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -155.4 | 168.1 | 173.8 | 76.4 | 0 | 0 | 0 | 0 | 110.5 | S354 D358 A359 | S354-S356 VanDerWaalsContact C-N 3.34Å; S354-S356 PolarHBondContact O-N 3.29Å; S356-D358 VanDerWaalsContact C-N 3.28Å; S356-D358 PolarHBondContact O-N 2.99Å; S356-A359 WeakPolarHBondContact O-CB 3.42Å; S356-A359 PolarHBondContact O-N 3.18Å; S356-A359 PolarHBondContact OG-N 3.44Å |
| 357 | H | 92.6 | Very high | 94.6 | Very high | 187 Ų | 187 | 89.5 Ų | 89.5 | 87% | 0.866 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -40 | 178.9 | -171.4 | 71.4 | 0 | 0 | 0 | 112.7 | ||
| 358 | D | 95 | Very high | 94.8 | Very high | 93 Ų | 93 | 87.4 Ų | 87.4 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -5.6 | -176.3 | -63.3 | -35.4 | 0 | 0 | 0 | 113.9 | S356 G360 V361 L362 | S356-D358 VanDerWaalsContact C-N 3.28Å; S356-D358 PolarHBondContact O-N 2.99Å; D358-G360 VanDerWaalsContact C-N 3.26Å; D358-G360 PolarHBondContact O-N 3.15Å; D358-G360 VanDerWaalsContact O-N 3.16Å; D358-V361 WeakPolarHBondContact O-CA 3.38Å; D358-V361 WeakPolarHBondContact O-CB 3.39Å; D358-V361 PolarHBondContact O-N 2.66Å; D358-L362 HydrophobicContact CB-CD1 4.43Å; D358-L362 HydrophobicContact CB-CG 4.47Å; D358-L362 WeakPolarHBondContact O-CG 3.31Å; D358-L362 PolarHBondContact O-N 3.01Å |
| 359 | A | 94.8 | Very high | 95 | Very high | 9 Ų | 9 | 87.7 Ų | 87.7 | 7% | 0.074 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -51.8 | -43.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S356 V361 L362 S363 | S356-A359 WeakPolarHBondContact O-CB 3.42Å; S356-A359 PolarHBondContact O-N 3.18Å; S356-A359 PolarHBondContact OG-N 3.44Å; A359-V361 PolarHBondContact O-N 3.26Å; A359-L362 PolarHBondContact O-N 3.47Å; A359-S363 PolarHBondContact O-N 3.37Å; A359-S363 PolarHBondContact O-OG 2.89Å; A359-S363 VanDerWaalsContact O-OG 3.11Å |
| 360 | G | 93.4 | Very high | 95.2 | Very high | 26 Ų | 26 | 87.9 Ų | 87.9 | 27% | 0.268 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.3 | -37.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D358 V364 | D358-G360 VanDerWaalsContact C-N 3.26Å; D358-G360 PolarHBondContact O-N 3.15Å; D358-G360 VanDerWaalsContact O-N 3.16Å; G360-V364 WeakPolarHBondContact O-CG2 3.36Å; G360-V364 PolarHBondContact O-N 3.13Å; G360-V364 VanDerWaalsContact O-N 3.12Å |
| 361 | V | 95.6 | Very high | 95.5 | Very high | 78 Ų | 78 | 88.3 Ų | 88.3 | 47% | 0.473 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.9 | -40.5 | 176.9 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | D358 A359 V364 R365 | D358-V361 WeakPolarHBondContact O-CA 3.38Å; D358-V361 WeakPolarHBondContact O-CB 3.39Å; D358-V361 PolarHBondContact O-N 2.66Å; A359-V361 PolarHBondContact O-N 3.26Å; V361-V364 PolarHBondContact O-N 3.4Å; V361-R365 WeakPolarHBondContact O-CG 3.42Å; V361-R365 PolarHBondContact O-N 3.5Å |
| 362 | L | 95.8 | Very high | 95.7 | Very high | 105 Ų | 105 | 88.7 Ų | 88.7 | 55% | 0.55 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.8 | -45 | 176.7 | -64.7 | 174.3 | 0 | 0 | 0 | 111.7 | D358 A359 V364 R365 Q366 | D358-L362 HydrophobicContact CB-CD1 4.43Å; D358-L362 HydrophobicContact CB-CG 4.47Å; D358-L362 WeakPolarHBondContact O-CG 3.31Å; D358-L362 PolarHBondContact O-N 3.01Å; A359-L362 PolarHBondContact O-N 3.47Å; L362-V364 PolarHBondContact O-N 2.65Å; L362-R365 PolarHBondContact O-N 3.31Å; L362-Q366 PolarHBondContact O-N 3.24Å |
| 363 | S | 95.6 | Very high | 95.9 | Very high | 42 Ų | 42 | 88.7 Ų | 88.7 | 29% | 0.294 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 175.9 | -63.5 | 0 | 0 | 0 | 0 | 112.7 | A359 Q366 L367 | A359-S363 PolarHBondContact O-N 3.37Å; A359-S363 PolarHBondContact O-OG 2.89Å; A359-S363 VanDerWaalsContact O-OG 3.11Å; S363-Q366 PolarHBondContact O-N 3.02Å; S363-L367 WeakPolarHBondContact O-CG 3.46Å; S363-L367 PolarHBondContact O-N 3.19Å |
| 364 | V | 96.1 | Very high | 96.2 | Very high | 85 Ų | 85 | 89.4 Ų | 89.4 | 52% | 0.515 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.6 | -47.6 | 175.5 | 171.8 | 0 | 0 | 0 | 0 | 111 | G360 V361 L362 Q366 L367 D368 | G360-V364 WeakPolarHBondContact O-CG2 3.36Å; G360-V364 PolarHBondContact O-N 3.13Å; G360-V364 VanDerWaalsContact O-N 3.12Å; V361-V364 PolarHBondContact O-N 3.4Å; L362-V364 PolarHBondContact O-N 2.65Å; V364-Q366 VanDerWaalsContact C-N 3.28Å; V364-Q366 PolarHBondContact O-N 2.66Å; V364-L367 PolarHBondContact O-N 3.14Å; V364-L367 VanDerWaalsContact O-N 3.13Å; V364-D368 PolarHBondContact O-N 3.14Å |
| 365 | R | 97.1 | Very high | 96.4 | Very high | 169 Ų | 169 | 90.9 Ų | 90.9 | 64% | 0.638 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.3 | -35.2 | 176.9 | -73.7 | 179.1 | 177 | -164.9 | 0.6 | 113.2 | V361 L362 T369 | V361-R365 WeakPolarHBondContact O-CG 3.42Å; V361-R365 PolarHBondContact O-N 3.5Å; L362-R365 PolarHBondContact O-N 3.31Å; R365-T369 WeakPolarHBondContact O-CB 3.26Å; R365-T369 PolarHBondContact O-N 3.22Å; R365-T369 PolarHBondContact O-OG1 3.15Å |
| 366 | Q | 97.6 | Very high | 96.7 | Very high | 112 Ų | 112 | 93.2 Ų | 93.2 | 52% | 0.523 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.6 | -45.5 | 174.2 | -173.6 | 178.7 | 9.3 | 0 | 0 | 111.3 | L362 S363 V364 T369 H370 | L362-Q366 PolarHBondContact O-N 3.24Å; S363-Q366 PolarHBondContact O-N 3.02Å; V364-Q366 VanDerWaalsContact C-N 3.28Å; V364-Q366 PolarHBondContact O-N 2.66Å; Q366-T369 WeakPolarHBondContact O-CB 3.34Å; Q366-T369 PolarHBondContact O-N 3.31Å; Q366-H370 PolarHBondContact O-CD2 3.01Å; Q366-H370 PolarHBondContact O-N 3.06Å |
| 367 | L | 97.5 | Very high | 96.9 | Very high | 118 Ų | 118 | 95.6 Ų | 95.6 | 62% | 0.618 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.8 | -39.7 | 177.5 | -70.5 | 172 | 0 | 0 | 0 | 112.4 | S363 V364 H370 L371 | S363-L367 WeakPolarHBondContact O-CG 3.46Å; S363-L367 PolarHBondContact O-N 3.19Å; V364-L367 PolarHBondContact O-N 3.14Å; V364-L367 VanDerWaalsContact O-N 3.13Å; L367-H370 PolarHBondContact O-N 3.41Å; L367-L371 VanDerWaalsContact O-CB 3.28Å; L367-L371 WeakPolarHBondContact O-CB 3.48Å; L367-L371 PolarHBondContact O-N 3.15Å |
| 368 | D | 98.3 | Very high | 97.2 | Very high | 89 Ų | 89 | 90.3 Ų | 90.3 | 48% | 0.476 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 173.3 | -80.5 | -39.9 | 0 | 0 | 0 | 111.9 | V364 H370 L371 V372 | V364-D368 PolarHBondContact O-N 3.14Å; D368-H370 PolarHBondContact O-N 3.32Å; D368-L371 WeakPolarHBondContact O-CB 3.44Å; D368-L371 PolarHBondContact O-N 3.23Å; D368-V372 WeakPolarHBondContact O-CG2 3.43Å; D368-V372 PolarHBondContact O-N 3.44Å |
| 369 | T | 98.1 | Very high | 97.4 | Very high | 95 Ų | 95 | 91.3 Ų | 91.3 | 58% | 0.583 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -59.7 | -45.1 | 174.3 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | R365 Q366 V372 S373 | R365-T369 WeakPolarHBondContact O-CB 3.26Å; R365-T369 PolarHBondContact O-N 3.22Å; R365-T369 PolarHBondContact O-OG1 3.15Å; Q366-T369 WeakPolarHBondContact O-CB 3.34Å; Q366-T369 PolarHBondContact O-N 3.31Å; T369-V372 PolarHBondContact O-N 3.03Å; T369-S373 PolarHBondContact O-N 3.08Å |
| 370 | H | 98.4 | Very high | 97.5 | Very high | 97 Ų | 97 | 94 Ų | 94 | 45% | 0.449 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 175.5 | -72.7 | -158.7 | 0 | 0 | 0 | 111.3 | Q366 L367 D368 S373 L374 | Q366-H370 PolarHBondContact O-CD2 3.01Å; Q366-H370 PolarHBondContact O-N 3.06Å; L367-H370 PolarHBondContact O-N 3.41Å; D368-H370 PolarHBondContact O-N 3.32Å; H370-S373 WeakPolarHBondContact O-CB 3.49Å; H370-S373 PolarHBondContact O-N 3.43Å; H370-L374 WeakPolarHBondContact O-CG 3.12Å; H370-L374 PolarHBondContact O-N 3.4Å |
| 371 | L | 98.4 | Very high | 97.8 | Very high | 80 Ų | 80 | 96.8 Ų | 96.8 | 42% | 0.419 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 177.6 | 178.1 | 62.6 | 0 | 0 | 0 | 112.2 | L367 D368 K375 | L367-L371 VanDerWaalsContact O-CB 3.28Å; L367-L371 WeakPolarHBondContact O-CB 3.48Å; L367-L371 PolarHBondContact O-N 3.15Å; D368-L371 WeakPolarHBondContact O-CB 3.44Å; D368-L371 PolarHBondContact O-N 3.23Å; L371-K375 HydrophobicContact CD1-CD 4.49Å; L371-K375 HydrophobicContact CG-CD 4.25Å; L371-K375 WeakPolarHBondContact O-CB 3.4Å; L371-K375 WeakPolarHBondContact O-CD 3.28Å; L371-K375 WeakPolarHBondContact O-CG 3.49Å; L371-K375 PolarHBondContact O-N 2.9Å |
| 372 | V | 98.4 | Very high | 97.9 | Very high | 85 Ų | 85 | 98.9 Ų | 98.9 | 52% | 0.515 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 173.9 | 170.7 | 0 | 0 | 0 | 0 | 111 | D368 T369 K375 R376 | D368-V372 WeakPolarHBondContact O-CG2 3.43Å; D368-V372 PolarHBondContact O-N 3.44Å; T369-V372 PolarHBondContact O-N 3.03Å; V372-K375 PolarHBondContact O-N 3.41Å; V372-R376 PolarHBondContact O-N 3.2Å |
| 373 | S | 98.5 | Very high | 98 | Very high | 51 Ų | 51 | 101 Ų | 101 | 36% | 0.357 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -47.2 | 176.8 | -152.2 | 0 | 0 | 0 | 0 | 112.1 | T369 H370 R376 Q377 | T369-S373 PolarHBondContact O-N 3.08Å; H370-S373 WeakPolarHBondContact O-CB 3.49Å; H370-S373 PolarHBondContact O-N 3.43Å; S373-R376 WeakPolarHBondContact O-CB 3.42Å; S373-R376 PolarHBondContact O-N 3.33Å; S373-R376 PolarHBondContact OG-NH2 2.87Å; S373-Q377 PolarHBondContact O-N 3.43Å |
| 374 | L | 98.6 | Very high | 98.2 | Very high | 99 Ų | 99 | 102.7 Ų | 102.7 | 52% | 0.518 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | -39.9 | 175.8 | -70.6 | 170.3 | 0 | 0 | 0 | 112.3 | H370 R376 Q377 V378 | H370-L374 WeakPolarHBondContact O-CG 3.12Å; H370-L374 PolarHBondContact O-N 3.4Å; L374-R376 VanDerWaalsContact C-N 3.35Å; L374-R376 PolarHBondContact O-N 3.08Å; L374-Q377 PolarHBondContact O-N 3.31Å; L374-V378 WeakPolarHBondContact O-CG2 3.45Å; L374-V378 PolarHBondContact O-N 3.04Å |
| 375 | K | 98.5 | Very high | 98.3 | Very high | 120 Ų | 120 | 102.4 Ų | 102.4 | 52% | 0.522 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.3 | -45.3 | 172.7 | -78 | 166.9 | 178.8 | 171.9 | 0 | 111.3 | L371 V372 V378 Q379 | L371-K375 HydrophobicContact CD1-CD 4.49Å; L371-K375 HydrophobicContact CG-CD 4.25Å; L371-K375 WeakPolarHBondContact O-CB 3.4Å; L371-K375 WeakPolarHBondContact O-CD 3.28Å; L371-K375 WeakPolarHBondContact O-CG 3.49Å; L371-K375 PolarHBondContact O-N 2.9Å; V372-K375 PolarHBondContact O-N 3.41Å; K375-V378 PolarHBondContact O-N 3.3Å; K375-Q379 WeakPolarHBondContact O-CG 3.42Å; K375-Q379 PolarHBondContact O-N 3.03Å; K375-Q379 VanDerWaalsContact O-N 3.14Å |
| 376 | R | 98.6 | Very high | 98.3 | Very high | 155 Ų | 155 | 96.7 Ų | 96.7 | 59% | 0.585 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.4 | -44.8 | 176.8 | -174 | 175.5 | 64.9 | -100.1 | -7.2 | 111.7 | V372 S373 L374 V378 Q379 S380 | V372-R376 PolarHBondContact O-N 3.2Å; S373-R376 WeakPolarHBondContact O-CB 3.42Å; S373-R376 PolarHBondContact O-N 3.33Å; S373-R376 PolarHBondContact OG-NH2 2.87Å; L374-R376 VanDerWaalsContact C-N 3.35Å; L374-R376 PolarHBondContact O-N 3.08Å; R376-V378 VanDerWaalsContact C-N 3.34Å; R376-V378 PolarHBondContact O-N 2.95Å; R376-Q379 PolarHBondContact O-N 2.83Å; R376-S380 PolarHBondContact O-N 3.26Å |
| 377 | Q | 98.5 | Very high | 98.3 | Very high | 113 Ų | 113 | 95 Ų | 95 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.6 | -42.4 | 175.9 | -167.7 | -176.6 | 17.5 | 0 | 0 | 112 | S373 L374 Q379 S380 I381 | S373-Q377 PolarHBondContact O-N 3.43Å; L374-Q377 PolarHBondContact O-N 3.31Å; Q377-Q379 VanDerWaalsContact C-N 3.35Å; Q377-Q379 PolarHBondContact O-N 3.35Å; Q377-S380 PolarHBondContact O-N 3.34Å; Q377-I381 HydrophobicContact CG-CD1 3.98Å; Q377-I381 WeakPolarHBondContact O-CB 3.03Å; Q377-I381 WeakPolarHBondContact O-CG1 3.46Å; Q377-I381 PolarHBondContact O-N 3.46Å |
| 378 | V | 98.6 | Very high | 98.3 | Very high | 75 Ų | 75 | 93.7 Ų | 93.7 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.2 | -38.2 | 175.9 | 166.3 | 0 | 0 | 0 | 0 | 112.3 | L374 K375 R376 K382 | L374-V378 WeakPolarHBondContact O-CG2 3.45Å; L374-V378 PolarHBondContact O-N 3.04Å; K375-V378 PolarHBondContact O-N 3.3Å; R376-V378 VanDerWaalsContact C-N 3.34Å; R376-V378 PolarHBondContact O-N 2.95Å; V378-K382 HydrophobicContact CG1-CD 4.28Å; V378-K382 VanDerWaalsContact O-CG 3.29Å; V378-K382 WeakPolarHBondContact O-CG 3.47Å; V378-K382 PolarHBondContact O-N 3.13Å |
| 379 | Q | 98.4 | Very high | 98.2 | Very high | 114 Ų | 114 | 96.8 Ų | 96.8 | 53% | 0.533 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.3 | -40 | 176.3 | -58.3 | -69.3 | 49.2 | 0 | 0 | 111.8 | K375 R376 Q377 K382 Q383 | K375-Q379 WeakPolarHBondContact O-CG 3.42Å; K375-Q379 PolarHBondContact O-N 3.03Å; K375-Q379 VanDerWaalsContact O-N 3.14Å; R376-Q379 PolarHBondContact O-N 2.83Å; Q377-Q379 VanDerWaalsContact C-N 3.35Å; Q377-Q379 PolarHBondContact O-N 3.35Å; Q379-K382 WeakPolarHBondContact O-CB 3.43Å; Q379-K382 PolarHBondContact O-N 3.29Å; Q379-Q383 PolarHBondContact O-N 3.39Å |
| 380 | S | 98.4 | Very high | 98 | Very high | 66 Ų | 66 | 97.5 Ų | 97.5 | 46% | 0.462 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.8 | -49.2 | 172.3 | 172.6 | 0 | 0 | 0 | 0 | 111.7 | R376 Q377 K382 Q383 T384 | R376-S380 PolarHBondContact O-N 3.26Å; Q377-S380 PolarHBondContact O-N 3.34Å; S380-K382 VanDerWaalsContact C-N 3.29Å; S380-K382 PolarHBondContact O-N 2.97Å; S380-Q383 WeakPolarHBondContact O-CB 3.34Å; S380-Q383 PolarHBondContact O-N 3.24Å; S380-Q383 VanDerWaalsContact O-N 3.08Å; S380-T384 PolarHBondContact O-N 3.11Å; S380-T384 PolarHBondContact O-OG1 3.06Å |
| 381 | I | 98.5 | Very high | 97.8 | Very high | 85 Ų | 85 | 97.2 Ų | 97.2 | 44% | 0.436 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.4 | -37.6 | 176.9 | -70.2 | 168.3 | 0 | 0 | 0 | 111.6 | Q377 N385 | Q377-I381 HydrophobicContact CG-CD1 3.98Å; Q377-I381 WeakPolarHBondContact O-CB 3.03Å; Q377-I381 WeakPolarHBondContact O-CG1 3.46Å; Q377-I381 PolarHBondContact O-N 3.46Å; I381-N385 VanDerWaalsContact CG2-ND2 3.32Å; I381-N385 WeakPolarHBondContact CG2-ND2 3.29Å; I381-N385 VanDerWaalsContact O-CB 3.26Å; I381-N385 WeakPolarHBondContact O-CB 3.47Å; I381-N385 VanDerWaalsContact O-CG 3.29Å; I381-N385 PolarHBondContact O-N 3.3Å; I381-N385 PolarHBondContact O-ND2 3.17Å |
| 382 | K | 98.5 | Very high | 97.6 | Very high | 121 Ų | 121 | 99.6 Ų | 99.6 | 53% | 0.526 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 173.3 | -77.5 | 165 | 176.2 | -178.7 | 0 | 112.3 | V378 Q379 S380 N385 S386 | V378-K382 HydrophobicContact CG1-CD 4.28Å; V378-K382 VanDerWaalsContact O-CG 3.29Å; V378-K382 WeakPolarHBondContact O-CG 3.47Å; V378-K382 PolarHBondContact O-N 3.13Å; Q379-K382 WeakPolarHBondContact O-CB 3.43Å; Q379-K382 PolarHBondContact O-N 3.29Å; S380-K382 VanDerWaalsContact C-N 3.29Å; S380-K382 PolarHBondContact O-N 2.97Å; K382-N385 PolarHBondContact O-N 3.19Å; K382-S386 WeakPolarHBondContact O-CB 3.49Å; K382-S386 PolarHBondContact O-N 3.24Å |
| 383 | Q | 98.2 | Very high | 97.3 | Very high | 150 Ų | 150 | 99.4 Ų | 99.4 | 70% | 0.701 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.7 | -49.1 | 178.8 | -173.8 | 177.2 | -1.8 | 0 | 0 | 111.1 | Q379 S380 N385 S386 S387 | Q379-Q383 PolarHBondContact O-N 3.39Å; S380-Q383 WeakPolarHBondContact O-CB 3.34Å; S380-Q383 PolarHBondContact O-N 3.24Å; S380-Q383 VanDerWaalsContact O-N 3.08Å; Q383-N385 PolarHBondContact O-N 3.32Å; Q383-S386 WeakPolarHBondContact O-CB 3.41Å; Q383-S386 PolarHBondContact O-N 2.73Å; Q383-S386 VanDerWaalsContact O-N 3.1Å; Q383-S387 PolarHBondContact O-N 3.05Å |
| 384 | T | 98.2 | Very high | 96.7 | Very high | 77 Ų | 77 | 105.2 Ų | 105.2 | 47% | 0.472 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.3 | -46.9 | 175.5 | -54.5 | 0 | 0 | 0 | 0 | 111.6 | S380 S386 S387 L388 | S380-T384 PolarHBondContact O-N 3.11Å; S380-T384 PolarHBondContact O-OG1 3.06Å; T384-S386 VanDerWaalsContact C-N 3.25Å; T384-S386 PolarHBondContact O-N 3.23Å; T384-S387 PolarHBondContact O-N 2.86Å; T384-L388 HydrophobicContact CG2-CD1 4.17Å; T384-L388 WeakPolarHBondContact O-CG 3.46Å; T384-L388 PolarHBondContact O-N 2.82Å |
| 385 | N | 97.9 | Very high | 96.3 | Very high | 79 Ų | 79 | 102.4 Ų | 102.4 | 42% | 0.422 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.5 | -25.3 | 176.3 | -77.5 | -43.2 | 0 | 0 | 0 | 113.6 | I381 K382 Q383 K389 | I381-N385 VanDerWaalsContact CG2-ND2 3.32Å; I381-N385 WeakPolarHBondContact CG2-ND2 3.29Å; I381-N385 VanDerWaalsContact O-CB 3.26Å; I381-N385 WeakPolarHBondContact O-CB 3.47Å; I381-N385 VanDerWaalsContact O-CG 3.29Å; I381-N385 PolarHBondContact O-N 3.3Å; I381-N385 PolarHBondContact O-ND2 3.17Å; K382-N385 PolarHBondContact O-N 3.19Å; Q383-N385 PolarHBondContact O-N 3.32Å; N385-K389 WeakPolarHBondContact O-CB 3.41Å; N385-K389 WeakPolarHBondContact O-CD 3.26Å; N385-K389 WeakPolarHBondContact O-CG 3.23Å; N385-K389 PolarHBondContact O-N 3.36Å; N385-K389 VanDerWaalsContact O-N 3.08Å |
| 386 | S | 97.8 | Very high | 96 | Very high | 50 Ų | 50 | 101.3 Ų | 101.3 | 35% | 0.35 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.3 | -44.9 | 173.7 | -158.3 | 0 | 0 | 0 | 0 | 110.9 | K382 Q383 T384 K389 Q390 | K382-S386 WeakPolarHBondContact O-CB 3.49Å; K382-S386 PolarHBondContact O-N 3.24Å; Q383-S386 WeakPolarHBondContact O-CB 3.41Å; Q383-S386 PolarHBondContact O-N 2.73Å; Q383-S386 VanDerWaalsContact O-N 3.1Å; T384-S386 VanDerWaalsContact C-N 3.25Å; T384-S386 PolarHBondContact O-N 3.23Å; S386-K389 PolarHBondContact O-N 2.87Å; S386-Q390 PolarHBondContact O-N 3.38Å |
| 387 | S | 97.4 | Very high | 95.5 | Very high | 75 Ų | 75 | 98.7 Ų | 98.7 | 52% | 0.524 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60 | -48.4 | 174 | -177.3 | 0 | 0 | 0 | 0 | 112 | Q383 T384 K389 Q390 S391 | Q383-S387 PolarHBondContact O-N 3.05Å; T384-S387 PolarHBondContact O-N 2.86Å; S387-K389 VanDerWaalsContact C-N 3.29Å; S387-K389 PolarHBondContact O-N 3.25Å; S387-Q390 WeakPolarHBondContact O-CA 3.43Å; S387-Q390 VanDerWaalsContact O-CB 3.31Å; S387-Q390 WeakPolarHBondContact O-CB 3.36Å; S387-Q390 PolarHBondContact O-N 3.43Å; S387-S391 PolarHBondContact O-N 3.32Å |
| 388 | L | 97.1 | Very high | 95 | Very high | 92 Ų | 92 | 99.1 Ų | 99.1 | 48% | 0.482 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.8 | -30.8 | 177 | -67.3 | 174.1 | 0 | 0 | 0 | 113.2 | T384 S391 L392 | T384-L388 HydrophobicContact CG2-CD1 4.17Å; T384-L388 WeakPolarHBondContact O-CG 3.46Å; T384-L388 PolarHBondContact O-N 2.82Å; L388-S391 PolarHBondContact O-OG 2.92Å; L388-S391 VanDerWaalsContact O-OG 3.12Å; L388-L392 WeakPolarHBondContact O-CD1 3.2Å; L388-L392 VanDerWaalsContact O-CG 3.26Å; L388-L392 WeakPolarHBondContact O-CG 3.37Å; L388-L392 PolarHBondContact O-N 2.76Å |
| 389 | K | 96.5 | Very high | 94.6 | Very high | 153 Ų | 153 | 103.6 Ų | 103.6 | 67% | 0.665 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -69.8 | -37 | 170.3 | -78.6 | 171 | -179.5 | -176.7 | 0 | 111.8 | N385 S386 S387 L392 T393 | N385-K389 WeakPolarHBondContact O-CB 3.41Å; N385-K389 WeakPolarHBondContact O-CD 3.26Å; N385-K389 WeakPolarHBondContact O-CG 3.23Å; N385-K389 PolarHBondContact O-N 3.36Å; N385-K389 VanDerWaalsContact O-N 3.08Å; S386-K389 PolarHBondContact O-N 2.87Å; S387-K389 VanDerWaalsContact C-N 3.29Å; S387-K389 PolarHBondContact O-N 3.25Å; K389-L392 CarbonylContact O-C 3.58Å; K389-L392 PolarHBondContact O-N 3.07Å; K389-T393 PolarHBondContact O-N 3.25Å; K389-T393 PolarHBondContact O-OG1 2.9Å |
| 390 | Q | 95.5 | Very high | 94.2 | Very high | 111 Ų | 111 | 105.7 Ų | 105.7 | 52% | 0.519 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.5 | -46.8 | 178.5 | -160.2 | 170.8 | -7.1 | 0 | 0 | 111.5 | F57 S386 S387 L392 T393 | F57-Q390 HydrophobicContact CE2-CB 4.44Å; F57-Q390 HydrophobicContact CE2-CG 3.99Å; F57-Q390 HydrophobicContact CZ-CB 3.94Å; F57-Q390 HydrophobicContact CZ-CG 3.85Å; S386-Q390 PolarHBondContact O-N 3.38Å; S387-Q390 WeakPolarHBondContact O-CA 3.43Å; S387-Q390 VanDerWaalsContact O-CB 3.31Å; S387-Q390 WeakPolarHBondContact O-CB 3.36Å; S387-Q390 PolarHBondContact O-N 3.43Å; Q390-L392 PolarHBondContact O-N 2.9Å; Q390-T393 WeakPolarHBondContact CA-OG1 3.45Å; Q390-T393 WeakPolarHBondContact O-CB 3.04Å; Q390-T393 PolarHBondContact O-N 3.38Å; Q390-T393 VanDerWaalsContact O-N 3.13Å; Q390-T393 PolarHBondContact O-OG1 3.31Å |
| 391 | S | 94.1 | Very high | 93.6 | Very high | 90 Ų | 90 | 107.6 Ų | 107.6 | 63% | 0.629 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66 | -19 | 177 | 57.1 | 0 | 0 | 0 | 0 | 114 | S387 L388 | S387-S391 PolarHBondContact O-N 3.32Å; L388-S391 PolarHBondContact O-OG 2.92Å; L388-S391 VanDerWaalsContact O-OG 3.12Å |
| 392 | L | 93.7 | Very high | 92.9 | Very high | 130 Ų | 130 | 108.4 Ų | 108.4 | 68% | 0.681 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 6.3 | 175.6 | -64.5 | 173.6 | 0 | 0 | 0 | 113.7 | L388 K389 Q390 E394 G395 | L388-L392 WeakPolarHBondContact O-CD1 3.2Å; L388-L392 VanDerWaalsContact O-CG 3.26Å; L388-L392 WeakPolarHBondContact O-CG 3.37Å; L388-L392 PolarHBondContact O-N 2.76Å; K389-L392 CarbonylContact O-C 3.58Å; K389-L392 PolarHBondContact O-N 3.07Å; Q390-L392 PolarHBondContact O-N 2.9Å; L392-E394 VanDerWaalsContact C-N 3.28Å; L392-E394 PolarHBondContact O-N 3.47Å; L392-G395 PolarHBondContact O-N 3.07Å |
| 393 | T | 91.6 | Very high | 92.1 | Very high | 81 Ų | 81 | 111.2 Ų | 111.2 | 50% | 0.497 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.6 | -33.2 | -175.3 | -54.3 | 0 | 0 | 0 | 0 | 113.2 | T55 K389 Q390 G395 | T55-T393 HydrophobicContact CG2-CG2 4.03Å; K389-T393 PolarHBondContact O-N 3.25Å; K389-T393 PolarHBondContact O-OG1 2.9Å; Q390-T393 WeakPolarHBondContact CA-OG1 3.45Å; Q390-T393 WeakPolarHBondContact O-CB 3.04Å; Q390-T393 PolarHBondContact O-N 3.38Å; Q390-T393 VanDerWaalsContact O-N 3.13Å; Q390-T393 PolarHBondContact O-OG1 3.31Å; T393-G395 PolarHBondContact O-N 2.96Å |
| 394 | E | 86.4 | Confident | 91 | Very high | 173 Ų | 173 | 109.2 Ų | 109.2 | 81% | 0.808 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -9.3 | 179.8 | -58.1 | -172.1 | 168.1 | 0 | 0 | 112.9 | L392 | L392-E394 VanDerWaalsContact C-N 3.28Å; L392-E394 PolarHBondContact O-N 3.47Å |
| 395 | G | 89.4 | Confident | 89.9 | Confident | 40 Ų | 40 | 110.1 Ų | 110.1 | 41% | 0.412 | 62% | 0.622 | S | S | . | * | trans | 65.6 | -149.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L392 T393 | L392-G395 PolarHBondContact O-N 3.07Å; T393-G395 PolarHBondContact O-N 2.96Å | ||
| 396 | V | 92.8 | Very high | 89 | Confident | 98 Ų | 98 | 109.9 Ų | 109.9 | 59% | 0.594 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -127.2 | 4.6 | 176 | -62 | 0 | 0 | 0 | 0 | 113.1 | V398 F399 R400 | V396-V398 VanDerWaalsContact C-N 3.27Å; V396-V398 PolarHBondContact O-N 3.05Å; V396-F399 CarbonylContact O-C 3.59Å; V396-F399 WeakPolarHBondContact O-CA 3.46Å; V396-F399 PolarHBondContact O-N 3.5Å; V396-R400 PolarHBondContact O-N 3.34Å |
| 397 | D | 87.8 | Confident | 88.5 | Confident | 99 Ų | 99 | 116.5 Ų | 116.5 | 53% | 0.529 | 65% | 0.647 | S | S | . | * | G | 310 helix | trans | -67.1 | -27.9 | -175 | -61.8 | -70.3 | 0 | 0 | 0 | 112.7 | F399 R400 | D397-F399 PolarHBondContact O-N 3.13Å; D397-R400 PolarHBondContact O-N 2.95Å; D397-R400 IonicContact OD1-CZ 3.04Å; D397-R400 IonicContact OD1-NH1 3.29Å; D397-R400 PolarHBondContact OD1-NH1 2.95Å; D397-R400 IonicContact OD1-NH2 2.7Å; D397-R400 PolarHBondContact OD1-NH2 3.21Å |
| 398 | V | 88.8 | Confident | 88.3 | Confident | 123 Ų | 123 | 118 Ų | 118 | 75% | 0.745 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -64 | -28 | 171.1 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | V396 | V396-V398 VanDerWaalsContact C-N 3.27Å; V396-V398 PolarHBondContact O-N 3.05Å |
| 399 | F | 88.9 | Confident | 88 | Confident | 169 Ų | 169 | 116.9 Ų | 116.9 | 74% | 0.741 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -96.3 | -3 | 179.8 | -55.8 | -70.8 | 0 | 0 | 0 | 113.4 | V396 D397 P401 | V396-F399 CarbonylContact O-C 3.59Å; V396-F399 WeakPolarHBondContact O-CA 3.46Å; V396-F399 PolarHBondContact O-N 3.5Å; D397-F399 PolarHBondContact O-N 3.13Å; F399-P401 VanDerWaalsContact O-CD 3.28Å; F399-P401 WeakPolarHBondContact O-CD 3.12Å |
| 400 | R | 90.4 | Very high | 87.8 | Confident | 157 Ų | 157 | 113.9 Ų | 113.9 | 59% | 0.592 | 64% | 0.64 | S | S | * | * | trans | -75 | 118.6 | 177.5 | -172.4 | -178.8 | -63.2 | 109.7 | 9.8 | 109.9 | V396 D397 | V396-R400 PolarHBondContact O-N 3.34Å; D397-R400 PolarHBondContact O-N 2.95Å; D397-R400 IonicContact OD1-CZ 3.04Å; D397-R400 IonicContact OD1-NH1 3.29Å; D397-R400 PolarHBondContact OD1-NH1 2.95Å; D397-R400 IonicContact OD1-NH2 2.7Å; D397-R400 PolarHBondContact OD1-NH2 3.21Å | ||
| 401 | P | 87.1 | Confident | 87.8 | Confident | 107 Ų | 107 | 117.7 Ų | 117.7 | 70% | 0.695 | 65% | 0.649 | S | S | * | * | trans | -64.6 | 153 | 174 | -19.2 | 33.6 | 0 | 0 | 0 | 111.6 | F399 E403 | F399-P401 VanDerWaalsContact O-CD 3.28Å; F399-P401 WeakPolarHBondContact O-CD 3.12Å; P401-E403 PolarHBondContact O-N 3.5Å | ||
| 402 | A | 83.3 | Confident | 88 | Confident | 101 Ų | 101 | 115.6 Ų | 115.6 | 84% | 0.835 | 63% | 0.628 | S | S | * | * | trans | -71.1 | 110.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | P404 | A402-P404 VanDerWaalsContact O-CD 3.3Å; A402-P404 WeakPolarHBondContact O-CD 3.49Å | ||
| 403 | E | 80.8 | Confident | 88.1 | Confident | 180 Ų | 180 | 112 Ų | 112 | 84% | 0.841 | 61% | 0.611 | S | S | * | * | trans | -86.7 | 112.6 | -174.3 | -169.8 | 179.6 | -176.2 | 0 | 0 | 111.6 | P401 | P401-E403 PolarHBondContact O-N 3.5Š| ||
| 404 | P | 75.9 | Confident | 88.4 | Confident | 109 Ų | 109 | 113.1 Ų | 113.1 | 71% | 0.708 | 62% | 0.618 | S | S | * | * | trans | -82.9 | 121.1 | 177.6 | 32.5 | -31.6 | 0 | 0 | 0 | 110.4 | A402 P406 | A402-P404 VanDerWaalsContact O-CD 3.3Å; A402-P404 WeakPolarHBondContact O-CD 3.49Å; P404-P406 WeakPolarHBondContact O-CD 3.45Å | ||
| 405 | A | 75.3 | Confident | 88.9 | Confident | 95 Ų | 95 | 111.7 Ų | 111.7 | 79% | 0.785 | 61% | 0.611 | S | S | * | * | trans | -56.5 | 110.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 406 | P | 78.3 | Confident | 89.2 | Confident | 74 Ų | 74 | 110.5 Ų | 110.5 | 48% | 0.481 | 60% | 0.595 | S | S | . | * | trans | -79.9 | 134.2 | -167.8 | 30.1 | -33.9 | 0 | 0 | 0 | 112.1 | P404 M408 G439 | P404-P406 WeakPolarHBondContact O-CD 3.45Å; P406-M408 PolarHBondContact O-N 2.68Å; P406-G439 VanDerWaalsContact CB-O 3.26Å; P406-G439 WeakPolarHBondContact CB-O 3.44Å | ||
| 407 | K | 88.3 | Confident | 89.4 | Confident | 190 Ų | 190 | 107.1 Ų | 107.1 | 83% | 0.826 | 57% | 0.573 | S | S | * | * | trans | -83.3 | 101.2 | 174.3 | -69.1 | 178.4 | -177.6 | 172.7 | 0 | 109.6 | N409 | K407-N409 PolarHBondContact O-N 2.74Š| ||
| 408 | M | 92.1 | Very high | 89.9 | Confident | 105 Ų | 105 | 106.9 Ų | 106.9 | 52% | 0.517 | 57% | 0.571 | S | S | . | * | trans | -53.8 | 127.9 | 178.8 | -55.3 | -96.4 | 79 | 0 | 0 | 111.3 | P406 G439 T440 T442 | P406-M408 PolarHBondContact O-N 2.68Å; M408-G439 VanDerWaalsContact CE-O 3.26Å; M408-G439 WeakPolarHBondContact CE-O 3.44Å; M408-T440 WeakPolarHBondContact CA-O 3.41Å; M408-T442 HydrophobicContact CE-CG2 4.27Å; M408-T442 HydrophobicContact SD-CG2 3.36Å; M408-T442 WeakPolarHBondContact SD-CG2 3.42Å | ||
| 409 | N | 91.3 | Very high | 90.3 | Very high | 70 Ų | 70 | 104 Ų | 104 | 37% | 0.374 | 55% | 0.551 | S | S | . | * | trans | -134.9 | 124.1 | -175.9 | -178.4 | 2.5 | 0 | 0 | 0 | 111.1 | K407 R411 T440 K441 | K407-N409 PolarHBondContact O-N 2.74Å; N409-R411 PolarHBondContact OD1-N 2.81Å; N409-T440 PolarHBondContact N-O 3.46Å; N409-K441 WeakPolarHBondContact O-CD 3.38Å; N409-K441 VanDerWaalsContact O-CE 3.32Å; N409-K441 WeakPolarHBondContact O-CE 3.41Å; N409-K441 PolarHBondContact O-NZ 2.99Å | ||
| 410 | S | 92.8 | Very high | 90.7 | Very high | 90 Ų | 90 | 96 Ų | 96 | 63% | 0.629 | 52% | 0.516 | S | S | * | . | trans | -84 | -9.6 | -178.6 | -162.1 | 0 | 0 | 0 | 0 | 115.1 | Q445 | S410-Q445 PolarHBondContact OG-NE2 3.09Š| ||
| 411 | R | 95.2 | Very high | 91 | Very high | 190 Ų | 190 | 89.9 Ų | 89.9 | 72% | 0.717 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -78.4 | 139.7 | 169 | -179.5 | 174.5 | -70.3 | -87.9 | 1.5 | 108.9 | N409 K441 | N409-R411 PolarHBondContact OD1-N 2.81Å; R411-K441 WeakPolarHBondContact O-CE 3.21Å; R411-K441 PolarHBondContact O-NZ 2.79Å |
| 412 | W | 96.9 | Very high | 91.5 | Very high | 47 Ų | 47 | 90.6 Ų | 90.6 | 18% | 0.178 | 49% | 0.49 | C | S | . | . | trans | -97.8 | 115.5 | 171.7 | -74.8 | 92.7 | 0 | 0 | 0 | 110 | E416 Q417 A420 I438 K441 Q445 V446 F449 | W412-E416 VanDerWaalsContact CA-OE2 3.3Å; W412-E416 WeakPolarHBondContact CA-OE2 3.45Å; W412-E416 HydrophobicContact CE3-CB 3.87Å; W412-E416 HydrophobicContact CZ3-CB 4.22Å; W412-Q417 HydrophobicContact CB-CG 4.1Å; W412-Q417 HydrophobicContact CE3-CG 4.15Å; W412-Q417 PolarHBondContact O-NE2 2.95Å; W412-A420 HydrophobicContact CH2-CB 4.37Å; W412-A420 HydrophobicContact CZ3-CB 3.96Å; W412-I438 HydrophobicContact CH2-CD1 3.98Å; W412-I438 HydrophobicContact CZ3-CD1 4.03Å; W412-K441 HydrophobicContact CD2-CD 4.16Å; W412-K441 VanDerWaalsContact CD2-CE 3.47Å; W412-K441 HydrophobicContact CE3-CD 4.36Å; W412-K441 HydrophobicContact CH2-CB 4.29Å; W412-K441 HydrophobicContact CH2-CD 3.89Å; W412-K441 HydrophobicContact CH2-CG 3.66Å; W412-K441 HydrophobicContact CZ2-CB 4.49Å; W412-K441 HydrophobicContact CZ2-CD 3.63Å; W412-K441 HydrophobicContact CZ2-CG 3.91Å; W412-K441 HydrophobicContact CZ3-CD 4.24Å; W412-K441 HydrophobicContact CZ3-CG 3.98Å; W412-Q445 HydrophobicContact CZ2-CB 4.47Å; W412-V446 HydrophobicContact CH2-CG2 4.45Å; W412-F449 HydrophobicContact CD2-CD2 4.09Å; W412-F449 HydrophobicContact CE3-CD2 4.14Å; W412-F449 HydrophobicContact CH2-CB 3.88Å; W412-F449 HydrophobicContact CH2-CD1 4.4Å; W412-F449 HydrophobicContact CH2-CD2 4.31Å; W412-F449 AromaticContact CH2-CG 3.94Å; W412-F449 HydrophobicContact CH2-CG 3.94Å; W412-F449 HydrophobicContact CZ2-CB 3.44Å; W412-F449 VanDerWaalsContact CZ2-CB 3.44Å; W412-F449 HydrophobicContact CZ2-CD2 4.28Å; W412-F449 AromaticContact CZ2-CG 3.95Å; W412-F449 HydrophobicContact CZ2-CG 3.95Å; W412-F449 HydrophobicContact CZ3-CD2 4.25Å; W412-F449 HydrophobicContact CZ3-CG 4.27Å | ||
| 413 | T | 96.6 | Very high | 92.2 | Very high | 54 Ų | 54 | 86 Ų | 86 | 33% | 0.331 | 45% | 0.452 | S | S | . | . | trans | -78.1 | 166.3 | 168.3 | 74.4 | 0 | 0 | 0 | 0 | 110.4 | E415 E416 Q417 | T413-E415 VanDerWaalsContact C-N 3.3Å; T413-E416 PolarHBondContact N-OE2 2.9Å; T413-E416 PolarHBondContact O-N 2.97Å; T413-E416 VanDerWaalsContact OG1-CG 3.27Å; T413-E416 WeakPolarHBondContact OG1-CG 3.33Å; T413-E416 PolarHBondContact OG1-N 3.16Å; T413-E416 VanDerWaalsContact OG1-N 3.08Å; T413-Q417 WeakPolarHBondContact O-CG 3.19Å; T413-Q417 PolarHBondContact O-N 3.02Å; T413-Q417 PolarHBondContact O-NE2 3.21Å | ||
| 414 | T | 97.1 | Very high | 93 | Very high | 105 Ų | 105 | 77.4 Ų | 77.4 | 64% | 0.644 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.8 | -38.7 | 175.5 | -48.4 | 0 | 0 | 0 | 0 | 111.5 | Q417 L418 | T414-Q417 PolarHBondContact O-N 2.95Å; T414-L418 HydrophobicContact CG2-CD1 4.41Å; T414-L418 WeakPolarHBondContact O-CG 3.11Å; T414-L418 PolarHBondContact O-N 2.94Å |
| 415 | E | 97.1 | Very high | 93.9 | Very high | 142 Ų | 142 | 74.9 Ų | 74.9 | 66% | 0.664 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -59.5 | -50.9 | 174.9 | 177.8 | -180 | -150.6 | 0 | 0 | 111.9 | T413 Q417 L418 L419 | T413-E415 VanDerWaalsContact C-N 3.3Å; E415-Q417 PolarHBondContact O-N 3.28Å; E415-L418 PolarHBondContact O-N 3.38Å; E415-L418 VanDerWaalsContact O-N 3.11Å; E415-L419 HydrophobicContact CG-CD1 4.26Å; E415-L419 WeakPolarHBondContact O-CG 3.27Å; E415-L419 PolarHBondContact O-N 3.35Å |
| 416 | E | 96.8 | Very high | 94.9 | Very high | 15 Ų | 15 | 79 Ų | 79 | 7% | 0.07 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.7 | -33 | 177.3 | -68.9 | 170 | 152.8 | 0 | 0 | 112.4 | W412 T413 A420 I438 T440 K441 | W412-E416 VanDerWaalsContact CA-OE2 3.3Å; W412-E416 WeakPolarHBondContact CA-OE2 3.45Å; W412-E416 HydrophobicContact CE3-CB 3.87Å; W412-E416 HydrophobicContact CZ3-CB 4.22Å; T413-E416 PolarHBondContact N-OE2 2.9Å; T413-E416 PolarHBondContact O-N 2.97Å; T413-E416 VanDerWaalsContact OG1-CG 3.27Å; T413-E416 WeakPolarHBondContact OG1-CG 3.33Å; T413-E416 PolarHBondContact OG1-N 3.16Å; T413-E416 VanDerWaalsContact OG1-N 3.08Å; E416-A420 VanDerWaalsContact O-CB 3.29Å; E416-A420 WeakPolarHBondContact O-CB 3.29Å; E416-A420 PolarHBondContact O-N 2.84Å; E416-I438 HydrophobicContact CB-CG2 4.2Å; E416-I438 HydrophobicContact CG-CG2 4.1Å; E416-T440 PolarHBondContact OE1-OG1 2.82Å; E416-K441 IonicContact OE1-NZ 2.67Å; E416-K441 PolarHBondContact OE1-NZ 2.99Å; E416-K441 WeakPolarHBondContact OE2-CE 3.46Å; E416-K441 IonicContact OE2-NZ 2.98Å; E416-K441 PolarHBondContact OE2-NZ 3.19Å |
| 417 | Q | 97.1 | Very high | 95.8 | Very high | 27 Ų | 27 | 80.5 Ų | 80.5 | 13% | 0.126 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -70.5 | -41 | 175.5 | -67.5 | 167.2 | 69.4 | 0 | 0 | 111.6 | W412 T413 T414 E415 A420 V421 F449 Y453 F457 | W412-Q417 HydrophobicContact CB-CG 4.1Å; W412-Q417 HydrophobicContact CE3-CG 4.15Å; W412-Q417 PolarHBondContact O-NE2 2.95Å; T413-Q417 WeakPolarHBondContact O-CG 3.19Å; T413-Q417 PolarHBondContact O-N 3.02Å; T413-Q417 PolarHBondContact O-NE2 3.21Å; T414-Q417 PolarHBondContact O-N 2.95Å; E415-Q417 PolarHBondContact O-N 3.28Å; Q417-A420 PolarHBondContact O-N 3.39Å; Q417-V421 WeakPolarHBondContact O-CG2 3.48Å; Q417-V421 PolarHBondContact O-N 3.38Å; Q417-F449 HydrophobicContact CB-CE2 4.13Å; Q417-F449 HydrophobicContact CB-CZ 4.36Å; Q417-F449 HydrophobicContact CG-CE2 3.8Å; Q417-Y453 HydrophobicContact CG-CE1 4.49Å; Q417-F457 HydrophobicContact CB-CE2 4.06Å; Q417-F457 HydrophobicContact CB-CZ 4.16Å |
| 418 | L | 97.3 | Very high | 96.1 | Very high | 94 Ų | 94 | 71.4 Ų | 71.4 | 49% | 0.492 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -69 | -37.9 | 175.9 | -68.7 | 172.1 | 0 | 0 | 0 | 112 | T414 E415 V421 Q422 | T414-L418 HydrophobicContact CG2-CD1 4.41Å; T414-L418 WeakPolarHBondContact O-CG 3.11Å; T414-L418 PolarHBondContact O-N 2.94Å; E415-L418 PolarHBondContact O-N 3.38Å; E415-L418 VanDerWaalsContact O-N 3.11Å; L418-V421 PolarHBondContact O-N 2.9Å; L418-Q422 WeakPolarHBondContact O-CG 3.4Å; L418-Q422 PolarHBondContact O-N 2.9Å; L418-Q422 VanDerWaalsContact O-N 3.09Å; L418-Q422 PolarHBondContact O-NE2 2.95Å |
| 419 | L | 97.6 | Very high | 96.3 | Very high | 63 Ų | 63 | 72.4 Ų | 72.4 | 33% | 0.33 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 170.8 | -71.7 | 172.8 | 0 | 0 | 0 | 111 | E415 V421 Q422 A423 I438 | E415-L419 HydrophobicContact CG-CD1 4.26Å; E415-L419 WeakPolarHBondContact O-CG 3.27Å; E415-L419 PolarHBondContact O-N 3.35Å; L419-V421 PolarHBondContact O-N 3.39Å; L419-Q422 PolarHBondContact O-N 3.39Å; L419-A423 VanDerWaalsContact O-CB 3.26Å; L419-A423 WeakPolarHBondContact O-CB 3.28Å; L419-A423 PolarHBondContact O-N 3.25Å; L419-I438 HydrophobicContact CB-CG1 4.33Å |
| 420 | A | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | W412 E416 Q417 A423 I424 I438 F449 | W412-A420 HydrophobicContact CH2-CB 4.37Å; W412-A420 HydrophobicContact CZ3-CB 3.96Å; E416-A420 VanDerWaalsContact O-CB 3.29Å; E416-A420 WeakPolarHBondContact O-CB 3.29Å; E416-A420 PolarHBondContact O-N 2.84Å; Q417-A420 PolarHBondContact O-N 3.39Å; A420-A423 PolarHBondContact O-N 3.39Å; A420-I424 WeakPolarHBondContact O-CB 3.41Å; A420-I424 WeakPolarHBondContact O-CD1 3.43Å; A420-I424 WeakPolarHBondContact O-CG1 3.49Å; A420-I424 PolarHBondContact O-N 3.04Å; A420-I438 HydrophobicContact CB-CD1 3.74Å; A420-F449 HydrophobicContact CB-CD1 3.9Å; A420-F449 HydrophobicContact CB-CE1 3.43Å; A420-F449 VanDerWaalsContact CB-CE1 3.43Å; A420-F449 HydrophobicContact CB-CZ 3.91Å |
| 421 | V | 97.7 | Very high | 96.8 | Very high | 30 Ų | 30 | 71 Ų | 71 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 176.6 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | Q417 L418 L419 A423 I424 R425 F449 F457 L459 | Q417-V421 WeakPolarHBondContact O-CG2 3.48Å; Q417-V421 PolarHBondContact O-N 3.38Å; L418-V421 PolarHBondContact O-N 2.9Å; L419-V421 PolarHBondContact O-N 3.39Å; V421-A423 PolarHBondContact O-N 2.96Å; V421-I424 PolarHBondContact O-N 3.36Å; V421-R425 PolarHBondContact O-N 3.01Å; V421-F449 HydrophobicContact CG2-CZ 4.38Å; V421-F457 HydrophobicContact CG2-CB 3.7Å; V421-F457 HydrophobicContact CG2-CD1 4.33Å; V421-F457 HydrophobicContact CG2-CD2 3.53Å; V421-F457 HydrophobicContact CG2-CE2 4.2Å; V421-F457 HydrophobicContact CG2-CG 3.62Å; V421-L459 HydrophobicContact CG2-CD2 4.2Å |
| 422 | Q | 97 | Very high | 96.9 | Very high | 122 Ų | 122 | 65.5 Ų | 65.5 | 57% | 0.57 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.5 | -40.1 | 176.3 | -72.9 | 169.8 | 91.5 | 0 | 0 | 112.2 | L418 L419 R425 R426 | L418-Q422 WeakPolarHBondContact O-CG 3.4Å; L418-Q422 PolarHBondContact O-N 2.9Å; L418-Q422 VanDerWaalsContact O-N 3.09Å; L418-Q422 PolarHBondContact O-NE2 2.95Å; L419-Q422 PolarHBondContact O-N 3.39Å; Q422-R425 WeakPolarHBondContact O-CB 3.38Å; Q422-R425 PolarHBondContact O-N 2.91Å; Q422-R426 VanDerWaalsContact O-CG 3.3Å; Q422-R426 WeakPolarHBondContact O-CG 3.46Å; Q422-R426 PolarHBondContact O-N 2.88Å |
| 423 | A | 97.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 64 Ų | 64 | 3% | 0.025 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.4 | -41.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L419 A420 V421 R425 R426 Y427 I434 V437 | L419-A423 VanDerWaalsContact O-CB 3.26Å; L419-A423 WeakPolarHBondContact O-CB 3.28Å; L419-A423 PolarHBondContact O-N 3.25Å; A420-A423 PolarHBondContact O-N 3.39Å; V421-A423 PolarHBondContact O-N 2.96Å; A423-R425 PolarHBondContact O-N 3.1Å; A423-R426 PolarHBondContact O-N 3.29Å; A423-R426 VanDerWaalsContact O-N 3.08Å; A423-Y427 HydrophobicContact CB-CD2 4.2Å; A423-Y427 VanDerWaalsContact O-CD2 3.29Å; A423-Y427 WeakPolarHBondContact O-CD2 3.46Å; A423-Y427 PolarHBondContact O-N 3.11Å; A423-I434 HydrophobicContact CB-CB 4.13Å; A423-I434 HydrophobicContact CB-CG1 3.84Å; A423-I434 HydrophobicContact CB-CG2 3.83Å; A423-V437 HydrophobicContact CB-CB 4.36Å; A423-V437 HydrophobicContact CB-CG1 4.04Å |
| 424 | I | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.8 | -36.3 | 171.3 | -69.1 | 159.8 | 0 | 0 | 0 | 110.9 | A420 V421 R426 G428 I434 F449 F450 L459 V462 L463 | A420-I424 WeakPolarHBondContact O-CB 3.41Å; A420-I424 WeakPolarHBondContact O-CD1 3.43Å; A420-I424 WeakPolarHBondContact O-CG1 3.49Å; A420-I424 PolarHBondContact O-N 3.04Å; V421-I424 PolarHBondContact O-N 3.36Å; I424-R426 VanDerWaalsContact C-N 3.27Å; I424-R426 PolarHBondContact O-N 3.34Å; I424-G428 WeakPolarHBondContact O-CA 3.35Å; I424-G428 PolarHBondContact O-N 3.25Å; I424-I434 HydrophobicContact CG1-CD1 3.74Å; I424-F449 HydrophobicContact CD1-CD1 4.38Å; I424-F449 HydrophobicContact CD1-CE1 4.03Å; I424-F450 HydrophobicContact CD1-CD2 4.05Å; I424-F450 HydrophobicContact CG2-CE2 4.43Å; I424-L459 HydrophobicContact CD1-CD1 4.11Å; I424-L459 HydrophobicContact CD1-CD2 4.06Å; I424-V462 HydrophobicContact CB-CG1 4.42Å; I424-V462 HydrophobicContact CG2-CG1 3.87Å; I424-L463 HydrophobicContact CG2-CD2 3.97Å; I424-L463 HydrophobicContact CG2-CG 4.25Å |
| 425 | R | 96.3 | Very high | 96.9 | Very high | 56 Ų | 56 | 56.8 Ų | 56.8 | 21% | 0.211 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.6 | -19 | 177.3 | -170.8 | 49.1 | -175.3 | 72.7 | 2 | 114.5 | V421 Q422 A423 V462 E465 E469 | V421-R425 PolarHBondContact O-N 3.01Å; Q422-R425 WeakPolarHBondContact O-CB 3.38Å; Q422-R425 PolarHBondContact O-N 2.91Å; A423-R425 PolarHBondContact O-N 3.1Å; R425-V462 HydrophobicContact CB-CG1 3.6Å; R425-V462 WeakPolarHBondContact CD-O 2.96Å; R425-V462 HydrophobicContact CG-CG1 4.17Å; R425-E465 IonicContact CZ-OE2 3.89Å; R425-E465 VanDerWaalsContact CZ-OE2 3.29Å; R425-E465 IonicContact NE-OE2 3.35Å; R425-E465 PolarHBondContact NE-OE2 3.48Å; R425-E465 IonicContact NH2-OE2 2.68Å; R425-E465 PolarHBondContact NH2-OE2 2.88Å; R425-E469 IonicContact CZ-OE1 3.51Å; R425-E469 VanDerWaalsContact CZ-OE1 3.32Å; R425-E469 IonicContact CZ-OE2 2.74Å; R425-E469 IonicContact NH1-OE1 3.85Å; R425-E469 PolarHBondContact NH1-OE1 3.09Å; R425-E469 VanDerWaalsContact NH1-OE1 3.09Å; R425-E469 IonicContact NH1-OE2 2.95Å; R425-E469 PolarHBondContact NH1-OE2 3.46Å; R425-E469 IonicContact NH2-OE1 2.69Å; R425-E469 PolarHBondContact NH2-OE1 3.26Å; R425-E469 IonicContact NH2-OE2 2.81Å |
| 426 | R | 95.4 | Very high | 96.7 | Very high | 182 Ų | 182 | 56.7 Ų | 56.7 | 69% | 0.687 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -108.1 | -35.5 | -176.6 | -64.2 | -75.6 | -78.2 | -160.9 | -5.3 | 113.3 | Q422 A423 I424 W466 | Q422-R426 VanDerWaalsContact O-CG 3.3Å; Q422-R426 WeakPolarHBondContact O-CG 3.46Å; Q422-R426 PolarHBondContact O-N 2.88Å; A423-R426 PolarHBondContact O-N 3.29Å; A423-R426 VanDerWaalsContact O-N 3.08Å; I424-R426 VanDerWaalsContact C-N 3.27Å; I424-R426 PolarHBondContact O-N 3.34Å; R426-W466 PolarHBondContact O-NE1 2.82Å |
| 427 | Y | 96.4 | Very high | 96.6 | Very high | 105 Ų | 105 | 59.1 Ų | 59.1 | 41% | 0.412 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -116.4 | 2 | -174.7 | -53.2 | -77.8 | 0 | 0 | 0 | 113.2 | A423 K429 D430 A433 V437 | A423-Y427 HydrophobicContact CB-CD2 4.2Å; A423-Y427 VanDerWaalsContact O-CD2 3.29Å; A423-Y427 WeakPolarHBondContact O-CD2 3.46Å; A423-Y427 PolarHBondContact O-N 3.11Å; Y427-K429 PolarHBondContact O-N 2.95Å; Y427-D430 PolarHBondContact O-N 3.2Å; Y427-A433 HydrophobicContact CD1-CB 3.93Å; Y427-A433 HydrophobicContact CE1-CB 4.43Å; Y427-A433 HydrophobicContact CG-CB 4Å; Y427-V437 HydrophobicContact CE2-CG2 3.84Å |
| 428 | G | 95.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | -104.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I424 L463 | I424-G428 WeakPolarHBondContact O-CA 3.35Å; I424-G428 PolarHBondContact O-N 3.25Å; G428-L463 VanDerWaalsContact C-CD2 3.49Å; G428-L463 WeakPolarHBondContact O-CD2 3.48Å |
| 429 | K | 96.4 | Very high | 96.4 | Very high | 126 Ų | 126 | 55.1 Ų | 55.1 | 55% | 0.548 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | 14.1 | 179.2 | -64.3 | -174.1 | -176.2 | 174.9 | 0 | 113.7 | Y427 F431 L463 | Y427-K429 PolarHBondContact O-N 2.95Å; K429-F431 VanDerWaalsContact C-N 3.27Å; K429-F431 HydrophobicContact CB-CE1 4.48Å; K429-F431 HydrophobicContact CB-CZ 4.36Å; K429-F431 PolarHBondContact O-N 3.21Å; K429-L463 HydrophobicContact CD-CD1 4.38Å; K429-L463 HydrophobicContact CG-CD1 4.13Å; K429-L463 HydrophobicContact CG-CD2 3.94Å |
| 430 | D | 97 | Very high | 96.3 | Very high | 80 Ų | 80 | 54 Ų | 54 | 43% | 0.428 | 26% | 0.263 | S | S | . | . | trans | -72.3 | 86.4 | 170.5 | -166.4 | -28.5 | 0 | 0 | 0 | 110.3 | Y427 T432 A433 I434 | Y427-D430 PolarHBondContact O-N 3.2Å; D430-T432 PolarHBondContact O-N 3.08Å; D430-T432 VanDerWaalsContact O-N 3.14Å; D430-T432 WeakPolarHBondContact OD1-CA 3.17Å; D430-T432 VanDerWaalsContact OD1-CB 3.25Å; D430-T432 WeakPolarHBondContact OD1-CB 3.27Å; D430-T432 PolarHBondContact OD1-N 3.2Å; D430-A433 HydrophobicContact CB-CB 4.11Å; D430-A433 PolarHBondContact O-N 3.28Å; D430-A433 PolarHBondContact OD1-N 3.43Å; D430-I434 WeakPolarHBondContact O-CB 3.45Å; D430-I434 VanDerWaalsContact O-CD1 3.28Å; D430-I434 WeakPolarHBondContact O-CD1 3.49Å; D430-I434 WeakPolarHBondContact O-CG1 3.37Å; D430-I434 PolarHBondContact O-N 3.37Å | ||
| 431 | F | 97.6 | Very high | 96.2 | Very high | 50 Ų | 50 | 54.1 Ų | 54.1 | 22% | 0.219 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.6 | -10.7 | 178.5 | -54.3 | -46.2 | 0 | 0 | 0 | 113.3 | K429 I434 A435 P443 V446 F450 | K429-F431 VanDerWaalsContact C-N 3.27Å; K429-F431 HydrophobicContact CB-CE1 4.48Å; K429-F431 HydrophobicContact CB-CZ 4.36Å; K429-F431 PolarHBondContact O-N 3.21Å; F431-I434 HydrophobicContact CD1-CD1 4.34Å; F431-A435 WeakPolarHBondContact O-CB 3.46Å; F431-A435 PolarHBondContact O-N 2.88Å; F431-P443 HydrophobicContact CB-CB 4.05Å; F431-P443 WeakPolarHBondContact O-CA 3.42Å; F431-P443 WeakPolarHBondContact O-CB 3.26Å; F431-V446 HydrophobicContact CB-CB 4.39Å; F431-V446 HydrophobicContact CB-CG1 4.26Å; F431-V446 HydrophobicContact CD1-CG1 3.74Å; F431-V446 HydrophobicContact CG-CG1 4.39Å; F431-F450 HydrophobicContact CE1-CB 4.16Å; F431-F450 HydrophobicContact CE1-CG 4.28Å |
| 432 | T | 97.3 | Very high | 96.1 | Very high | 74 Ų | 74 | 54.8 Ų | 54.8 | 45% | 0.454 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -82 | -56.3 | 173.8 | -46.5 | 0 | 0 | 0 | 0 | 109.7 | D430 I434 A435 E436 | D430-T432 PolarHBondContact O-N 3.08Å; D430-T432 VanDerWaalsContact O-N 3.14Å; D430-T432 WeakPolarHBondContact OD1-CA 3.17Å; D430-T432 VanDerWaalsContact OD1-CB 3.25Å; D430-T432 WeakPolarHBondContact OD1-CB 3.27Å; D430-T432 PolarHBondContact OD1-N 3.2Å; T432-I434 VanDerWaalsContact C-N 3.27Å; T432-I434 PolarHBondContact O-N 3.35Å; T432-A435 WeakPolarHBondContact O-CA 3.4Å; T432-A435 WeakPolarHBondContact O-CB 3.16Å; T432-A435 PolarHBondContact O-N 3.3Å; T432-E436 WeakPolarHBondContact O-CG 3.49Å; T432-E436 PolarHBondContact O-N 3.32Å |
| 433 | A | 96.8 | Very high | 96.1 | Very high | 16 Ų | 16 | 51.3 Ų | 51.3 | 13% | 0.132 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.4 | -38.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y427 D430 E436 V437 | Y427-A433 HydrophobicContact CD1-CB 3.93Å; Y427-A433 HydrophobicContact CE1-CB 4.43Å; Y427-A433 HydrophobicContact CG-CB 4Å; D430-A433 HydrophobicContact CB-CB 4.11Å; D430-A433 PolarHBondContact O-N 3.28Å; D430-A433 PolarHBondContact OD1-N 3.43Å; A433-E436 PolarHBondContact O-N 3.42Å; A433-V437 VanDerWaalsContact O-CG2 3.29Å; A433-V437 WeakPolarHBondContact O-CG2 3.44Å; A433-V437 PolarHBondContact O-N 3.15Å |
| 434 | I | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66 | -37 | 174.8 | -63.4 | 160.1 | 0 | 0 | 0 | 111.5 | A423 I424 D430 F431 T432 I438 V446 | A423-I434 HydrophobicContact CB-CB 4.13Å; A423-I434 HydrophobicContact CB-CG1 3.84Å; A423-I434 HydrophobicContact CB-CG2 3.83Å; I424-I434 HydrophobicContact CG1-CD1 3.74Å; D430-I434 WeakPolarHBondContact O-CB 3.45Å; D430-I434 VanDerWaalsContact O-CD1 3.28Å; D430-I434 WeakPolarHBondContact O-CD1 3.49Å; D430-I434 WeakPolarHBondContact O-CG1 3.37Å; D430-I434 PolarHBondContact O-N 3.37Å; F431-I434 HydrophobicContact CD1-CD1 4.34Å; T432-I434 VanDerWaalsContact C-N 3.27Å; T432-I434 PolarHBondContact O-N 3.35Å; I434-I438 HydrophobicContact CG2-CD1 3.85Å; I434-I438 VanDerWaalsContact O-CD1 3.26Å; I434-I438 WeakPolarHBondContact O-CD1 3.37Å; I434-I438 VanDerWaalsContact O-CG1 3.25Å; I434-I438 WeakPolarHBondContact O-CG1 3.38Å; I434-I438 PolarHBondContact O-N 3.09Å; I434-V446 HydrophobicContact CB-CG1 3.92Å; I434-V446 HydrophobicContact CD1-CG1 4.45Å; I434-V446 HydrophobicContact CG2-CB 4.42Å; I434-V446 HydrophobicContact CG2-CG1 3.38Å; I434-V446 HydrophobicContact CG2-CG2 4.12Å |
| 435 | A | 95.8 | Very high | 96.1 | Very high | 7 Ų | 7 | 57.2 Ų | 57.2 | 6% | 0.058 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.5 | -41.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F431 T432 I438 G439 K441 P443 V446 | F431-A435 WeakPolarHBondContact O-CB 3.46Å; F431-A435 PolarHBondContact O-N 2.88Å; T432-A435 WeakPolarHBondContact O-CA 3.4Å; T432-A435 WeakPolarHBondContact O-CB 3.16Å; T432-A435 PolarHBondContact O-N 3.3Å; A435-I438 PolarHBondContact O-N 2.97Å; A435-G439 PolarHBondContact O-N 3.48Å; A435-K441 WeakPolarHBondContact CB-O 3.31Å; A435-P443 HydrophobicContact CB-CG 3.9Å; A435-V446 HydrophobicContact CB-CG2 4.02Å |
| 436 | E | 94.4 | Very high | 96.1 | Very high | 140 Ų | 140 | 54.5 Ų | 54.5 | 65% | 0.654 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -61.8 | -45.2 | 175.6 | -70.6 | 165.7 | -172.3 | 0 | 0 | 111.9 | T432 A433 I438 G439 | T432-E436 WeakPolarHBondContact O-CG 3.49Å; T432-E436 PolarHBondContact O-N 3.32Å; A433-E436 PolarHBondContact O-N 3.42Å; E436-I438 VanDerWaalsContact C-N 3.27Å; E436-I438 PolarHBondContact O-N 2.92Å; E436-G439 PolarHBondContact O-N 3.49Å; E436-G439 VanDerWaalsContact O-N 3.09Å |
| 437 | V | 94.7 | Very high | 96.2 | Very high | 66 Ų | 66 | 48 Ų | 48 | 40% | 0.4 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.6 | -30.3 | 177.1 | 168.6 | 0 | 0 | 0 | 0 | 113.1 | A423 Y427 A433 | A423-V437 HydrophobicContact CB-CB 4.36Å; A423-V437 HydrophobicContact CB-CG1 4.04Å; Y427-V437 HydrophobicContact CE2-CG2 3.84Å; A433-V437 VanDerWaalsContact O-CG2 3.29Å; A433-V437 WeakPolarHBondContact O-CG2 3.44Å; A433-V437 PolarHBondContact O-N 3.15Å |
| 438 | I | 95.2 | Very high | 96.3 | Very high | 14 Ų | 14 | 46.3 Ų | 46.3 | 7% | 0.072 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -85.7 | -27.8 | 174.8 | -57.7 | 158.9 | 0 | 0 | 0 | 111.1 | W412 E416 L419 A420 I434 A435 E436 T440 K441 V446 | W412-I438 HydrophobicContact CH2-CD1 3.98Å; W412-I438 HydrophobicContact CZ3-CD1 4.03Å; E416-I438 HydrophobicContact CB-CG2 4.2Å; E416-I438 HydrophobicContact CG-CG2 4.1Å; L419-I438 HydrophobicContact CB-CG1 4.33Å; A420-I438 HydrophobicContact CB-CD1 3.74Å; I434-I438 HydrophobicContact CG2-CD1 3.85Å; I434-I438 VanDerWaalsContact O-CD1 3.26Å; I434-I438 WeakPolarHBondContact O-CD1 3.37Å; I434-I438 VanDerWaalsContact O-CG1 3.25Å; I434-I438 WeakPolarHBondContact O-CG1 3.38Å; I434-I438 PolarHBondContact O-N 3.09Å; A435-I438 PolarHBondContact O-N 2.97Å; E436-I438 VanDerWaalsContact C-N 3.27Å; E436-I438 PolarHBondContact O-N 2.92Å; I438-T440 PolarHBondContact O-N 2.8Å; I438-K441 HydrophobicContact CB-CB 4.44Å; I438-K441 HydrophobicContact CB-CG 4.36Å; I438-K441 HydrophobicContact CG2-CB 4.13Å; I438-K441 HydrophobicContact CG2-CG 3.55Å; I438-V446 HydrophobicContact CD1-CG2 4.08Å |
| 439 | G | 93.4 | Very high | 96.4 | Very high | 24 Ų | 24 | 46.4 Ų | 46.4 | 25% | 0.247 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 68.7 | -47.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | P406 M408 A435 E436 K441 | P406-G439 VanDerWaalsContact CB-O 3.26Å; P406-G439 WeakPolarHBondContact CB-O 3.44Å; M408-G439 VanDerWaalsContact CE-O 3.26Å; M408-G439 WeakPolarHBondContact CE-O 3.44Å; A435-G439 PolarHBondContact O-N 3.48Å; E436-G439 PolarHBondContact O-N 3.49Å; E436-G439 VanDerWaalsContact O-N 3.09Å; G439-K441 VanDerWaalsContact C-N 3.31Å; G439-K441 PolarHBondContact O-N 2.83Å |
| 440 | T | 95.5 | Very high | 96.4 | Very high | 38 Ų | 38 | 41.2 Ų | 41.2 | 23% | 0.233 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -82.3 | -1.9 | -173.1 | 72.4 | 0 | 0 | 0 | 0 | 114.3 | M408 N409 E416 I438 | M408-T440 WeakPolarHBondContact CA-O 3.41Å; N409-T440 PolarHBondContact N-O 3.46Å; E416-T440 PolarHBondContact OE1-OG1 2.82Å; I438-T440 PolarHBondContact O-N 2.8Å |
| 441 | K | 96 | Very high | 96.4 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.017 | 25% | 0.253 | C | S | . | . | trans | -122.4 | 149.5 | -171.6 | -61.5 | -69.2 | 176.7 | -79.1 | 0 | 111.4 | N409 R411 W412 E416 A435 I438 G439 Q445 V446 | N409-K441 WeakPolarHBondContact O-CD 3.38Å; N409-K441 VanDerWaalsContact O-CE 3.32Å; N409-K441 WeakPolarHBondContact O-CE 3.41Å; N409-K441 PolarHBondContact O-NZ 2.99Å; R411-K441 WeakPolarHBondContact O-CE 3.21Å; R411-K441 PolarHBondContact O-NZ 2.79Å; W412-K441 HydrophobicContact CD2-CD 4.16Å; W412-K441 VanDerWaalsContact CD2-CE 3.47Å; W412-K441 HydrophobicContact CE3-CD 4.36Å; W412-K441 HydrophobicContact CH2-CB 4.29Å; W412-K441 HydrophobicContact CH2-CD 3.89Å; W412-K441 HydrophobicContact CH2-CG 3.66Å; W412-K441 HydrophobicContact CZ2-CB 4.49Å; W412-K441 HydrophobicContact CZ2-CD 3.63Å; W412-K441 HydrophobicContact CZ2-CG 3.91Å; W412-K441 HydrophobicContact CZ3-CD 4.24Å; W412-K441 HydrophobicContact CZ3-CG 3.98Å; E416-K441 IonicContact OE1-NZ 2.67Å; E416-K441 PolarHBondContact OE1-NZ 2.99Å; E416-K441 WeakPolarHBondContact OE2-CE 3.46Å; E416-K441 IonicContact OE2-NZ 2.98Å; E416-K441 PolarHBondContact OE2-NZ 3.19Å; A435-K441 WeakPolarHBondContact CB-O 3.31Å; I438-K441 HydrophobicContact CB-CB 4.44Å; I438-K441 HydrophobicContact CB-CG 4.36Å; I438-K441 HydrophobicContact CG2-CB 4.13Å; I438-K441 HydrophobicContact CG2-CG 3.55Å; G439-K441 VanDerWaalsContact C-N 3.31Å; G439-K441 PolarHBondContact O-N 2.83Å; K441-Q445 HydrophobicContact CD-CB 4.48Å; K441-V446 HydrophobicContact CB-CG2 4.22Å | ||
| 442 | T | 95.9 | Very high | 96.3 | Very high | 44 Ų | 44 | 43.2 Ų | 43.2 | 27% | 0.27 | 27% | 0.267 | S | S | . | . | trans | -93.5 | 156.4 | 172.7 | 59 | 0 | 0 | 0 | 0 | 111.6 | M408 P444 Q445 V446 | M408-T442 HydrophobicContact CE-CG2 4.27Å; M408-T442 HydrophobicContact SD-CG2 3.36Å; M408-T442 WeakPolarHBondContact SD-CG2 3.42Å; T442-P444 VanDerWaalsContact C-N 3.34Å; T442-Q445 WeakPolarHBondContact O-CA 3.47Å; T442-Q445 WeakPolarHBondContact O-CB 3.49Å; T442-Q445 PolarHBondContact O-N 3.22Å; T442-Q445 VanDerWaalsContact OG1-CD 3.29Å; T442-Q445 WeakPolarHBondContact OG1-CG 3.48Å; T442-Q445 PolarHBondContact OG1-OE1 3.42Å; T442-V446 PolarHBondContact O-N 3.4Å | ||
| 443 | P | 96.9 | Very high | 96.3 | Very high | 48 Ų | 48 | 41.5 Ų | 41.5 | 31% | 0.312 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -54.5 | -37.9 | 176.7 | -24.9 | 33.6 | 0 | 0 | 0 | 114.8 | F431 A435 Q445 V446 S447 | F431-P443 HydrophobicContact CB-CB 4.05Å; F431-P443 WeakPolarHBondContact O-CA 3.42Å; F431-P443 WeakPolarHBondContact O-CB 3.26Å; A435-P443 HydrophobicContact CB-CG 3.9Å; P443-Q445 PolarHBondContact O-N 2.88Å; P443-V446 PolarHBondContact O-N 3.19Å; P443-S447 WeakPolarHBondContact O-CB 3.47Å; P443-S447 PolarHBondContact O-N 2.98Å |
| 444 | P | 97.3 | Very high | 96.2 | Very high | 88 Ų | 88 | 45.2 Ų | 45.2 | 57% | 0.571 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -65.6 | -31.4 | 172.1 | -24.2 | 36.5 | 0 | 0 | 0 | 114.4 | T442 S448 | T442-P444 VanDerWaalsContact C-N 3.34Å; P444-S448 WeakPolarHBondContact O-CB 3.37Å; P444-S448 PolarHBondContact O-N 2.85Å; P444-S448 PolarHBondContact O-OG 3.21Å |
| 445 | Q | 96.6 | Very high | 96.2 | Very high | 39 Ų | 39 | 56.6 Ų | 56.6 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.8 | -39 | 173.2 | -73.7 | 165.3 | -43.3 | 0 | 0 | 111 | S410 W412 K441 T442 P443 S448 F449 | S410-Q445 PolarHBondContact OG-NE2 3.09Å; W412-Q445 HydrophobicContact CZ2-CB 4.47Å; K441-Q445 HydrophobicContact CD-CB 4.48Å; T442-Q445 WeakPolarHBondContact O-CA 3.47Å; T442-Q445 WeakPolarHBondContact O-CB 3.49Å; T442-Q445 PolarHBondContact O-N 3.22Å; T442-Q445 VanDerWaalsContact OG1-CD 3.29Å; T442-Q445 WeakPolarHBondContact OG1-CG 3.48Å; T442-Q445 PolarHBondContact OG1-OE1 3.42Å; P443-Q445 PolarHBondContact O-N 2.88Å; Q445-S448 WeakPolarHBondContact O-CB 3.48Å; Q445-S448 PolarHBondContact O-N 2.92Å; Q445-F449 WeakPolarHBondContact O-CB 3.4Å; Q445-F449 PolarHBondContact O-N 3.06Å |
| 446 | V | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 173.1 | 177 | 0 | 0 | 0 | 0 | 111.1 | W412 F431 I434 A435 I438 K441 T442 P443 S448 F449 F450 | W412-V446 HydrophobicContact CH2-CG2 4.45Å; F431-V446 HydrophobicContact CB-CB 4.39Å; F431-V446 HydrophobicContact CB-CG1 4.26Å; F431-V446 HydrophobicContact CD1-CG1 3.74Å; F431-V446 HydrophobicContact CG-CG1 4.39Å; I434-V446 HydrophobicContact CB-CG1 3.92Å; I434-V446 HydrophobicContact CD1-CG1 4.45Å; I434-V446 HydrophobicContact CG2-CB 4.42Å; I434-V446 HydrophobicContact CG2-CG1 3.38Å; I434-V446 HydrophobicContact CG2-CG2 4.12Å; A435-V446 HydrophobicContact CB-CG2 4.02Å; I438-V446 HydrophobicContact CD1-CG2 4.08Å; K441-V446 HydrophobicContact CB-CG2 4.22Å; T442-V446 PolarHBondContact O-N 3.4Å; P443-V446 PolarHBondContact O-N 3.19Å; V446-S448 PolarHBondContact O-N 3.39Å; V446-F449 WeakPolarHBondContact O-CB 3.27Å; V446-F449 PolarHBondContact O-N 3.16Å; V446-F450 PolarHBondContact O-N 3.01Å |
| 447 | S | 97.6 | Very high | 96.3 | Very high | 45 Ų | 45 | 59.7 Ų | 59.7 | 32% | 0.315 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 174.9 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | P443 F449 F450 V451 | P443-S447 WeakPolarHBondContact O-CB 3.47Å; P443-S447 PolarHBondContact O-N 2.98Å; S447-F449 VanDerWaalsContact C-N 3.34Å; S447-F449 PolarHBondContact O-N 3.11Å; S447-F450 PolarHBondContact O-N 2.89Å; S447-V451 PolarHBondContact O-N 3.2Å |
| 448 | S | 97.4 | Very high | 96.3 | Very high | 69 Ų | 69 | 61.8 Ų | 61.8 | 48% | 0.483 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.5 | -39.1 | 173.1 | -60.7 | 0 | 0 | 0 | 0 | 112.8 | P444 Q445 V446 S452 | P444-S448 WeakPolarHBondContact O-CB 3.37Å; P444-S448 PolarHBondContact O-N 2.85Å; P444-S448 PolarHBondContact O-OG 3.21Å; Q445-S448 WeakPolarHBondContact O-CB 3.48Å; Q445-S448 PolarHBondContact O-N 2.92Å; V446-S448 PolarHBondContact O-N 3.39Å; S448-S452 VanDerWaalsContact O-CB 3.24Å; S448-S452 WeakPolarHBondContact O-CB 3.25Å; S448-S452 PolarHBondContact O-N 2.89Å; S448-S452 PolarHBondContact O-OG 3.32Å |
| 449 | F | 97.2 | Very high | 96.4 | Very high | 3 Ų | 3 | 61.1 Ų | 61.1 | 1% | 0.013 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.3 | -47.1 | 173.5 | 167.6 | -94.6 | 0 | 0 | 0 | 111.4 | W412 Q417 A420 V421 I424 Q445 V446 S447 V451 S452 Y453 F457 | W412-F449 HydrophobicContact CD2-CD2 4.09Å; W412-F449 HydrophobicContact CE3-CD2 4.14Å; W412-F449 HydrophobicContact CH2-CB 3.88Å; W412-F449 HydrophobicContact CH2-CD1 4.4Å; W412-F449 HydrophobicContact CH2-CD2 4.31Å; W412-F449 AromaticContact CH2-CG 3.94Å; W412-F449 HydrophobicContact CH2-CG 3.94Å; W412-F449 HydrophobicContact CZ2-CB 3.44Å; W412-F449 VanDerWaalsContact CZ2-CB 3.44Å; W412-F449 HydrophobicContact CZ2-CD2 4.28Å; W412-F449 AromaticContact CZ2-CG 3.95Å; W412-F449 HydrophobicContact CZ2-CG 3.95Å; W412-F449 HydrophobicContact CZ3-CD2 4.25Å; W412-F449 HydrophobicContact CZ3-CG 4.27Å; Q417-F449 HydrophobicContact CB-CE2 4.13Å; Q417-F449 HydrophobicContact CB-CZ 4.36Å; Q417-F449 HydrophobicContact CG-CE2 3.8Å; A420-F449 HydrophobicContact CB-CD1 3.9Å; A420-F449 HydrophobicContact CB-CE1 3.43Å; A420-F449 VanDerWaalsContact CB-CE1 3.43Å; A420-F449 HydrophobicContact CB-CZ 3.91Å; V421-F449 HydrophobicContact CG2-CZ 4.38Å; I424-F449 HydrophobicContact CD1-CD1 4.38Å; I424-F449 HydrophobicContact CD1-CE1 4.03Å; Q445-F449 WeakPolarHBondContact O-CB 3.4Å; Q445-F449 PolarHBondContact O-N 3.06Å; V446-F449 WeakPolarHBondContact O-CB 3.27Å; V446-F449 PolarHBondContact O-N 3.16Å; S447-F449 VanDerWaalsContact C-N 3.34Å; S447-F449 PolarHBondContact O-N 3.11Å; F449-V451 VanDerWaalsContact C-N 3.26Å; F449-V451 PolarHBondContact O-N 3.32Å; F449-S452 PolarHBondContact O-N 3.46Å; F449-S452 VanDerWaalsContact O-N 3.08Å; F449-Y453 HydrophobicContact CD2-CD1 4.35Å; F449-Y453 AromaticContact CD2-CD2 3.19Å; F449-Y453 HydrophobicContact CD2-CD2 3.19Å; F449-Y453 AromaticContact CD2-CE2 3.53Å; F449-Y453 HydrophobicContact CD2-CE2 3.53Å; F449-Y453 AromaticContact CD2-CG 3.65Å; F449-Y453 HydrophobicContact CD2-CG 3.65Å; F449-Y453 AromaticContact CE2-CD1 3.73Å; F449-Y453 HydrophobicContact CE2-CD1 3.73Å; F449-Y453 AromaticContact CE2-CD2 3.44Å; F449-Y453 HydrophobicContact CE2-CD2 3.44Å; F449-Y453 VanDerWaalsContact CE2-CD2 3.44Å; F449-Y453 HydrophobicContact CE2-CE1 4.1Å; F449-Y453 AromaticContact CE2-CE2 3.86Å; F449-Y453 HydrophobicContact CE2-CE2 3.86Å; F449-Y453 AromaticContact CE2-CG 3.35Å; F449-Y453 HydrophobicContact CE2-CG 3.35Å; F449-Y453 HydrophobicContact CG-CD2 4.05Å; F449-Y453 HydrophobicContact CZ-CD1 4.5Å; F449-Y453 HydrophobicContact CZ-CD2 4.47Å; F449-Y453 HydrophobicContact CZ-CG 4.1Å; F449-Y453 WeakPolarHBondContact O-CB 3.36Å; F449-Y453 WeakPolarHBondContact O-CD2 3.47Å; F449-Y453 PolarHBondContact O-N 2.92Å; F449-F457 HydrophobicContact CE2-CD2 4.32Å; F449-F457 AromaticContact CE2-CE2 3.93Å; F449-F457 HydrophobicContact CE2-CE2 3.93Å; F449-F457 AromaticContact CZ-CD2 3.79Å; F449-F457 HydrophobicContact CZ-CD2 3.79Å; F449-F457 AromaticContact CZ-CE2 3.75Å; F449-F457 HydrophobicContact CZ-CE2 3.75Å |
| 450 | F | 96.9 | Very high | 96.5 | Very high | 16 Ų | 16 | 63.3 Ų | 63.3 | 7% | 0.07 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -54.3 | -42.2 | 178.6 | -179.5 | -88.1 | 0 | 0 | 0 | 112 | I424 F431 V446 S447 R454 L459 L463 | I424-F450 HydrophobicContact CD1-CD2 4.05Å; I424-F450 HydrophobicContact CG2-CE2 4.43Å; F431-F450 HydrophobicContact CE1-CB 4.16Å; F431-F450 HydrophobicContact CE1-CG 4.28Å; V446-F450 PolarHBondContact O-N 3.01Å; S447-F450 PolarHBondContact O-N 2.89Å; F450-R454 WeakPolarHBondContact O-CA 3.36Å; F450-R454 WeakPolarHBondContact O-CB 3.44Å; F450-R454 PolarHBondContact O-N 2.75Å; F450-L459 HydrophobicContact CD2-CB 4.36Å; F450-L459 HydrophobicContact CD2-CD1 3.78Å; F450-L459 HydrophobicContact CE2-CB 3.83Å; F450-L459 HydrophobicContact CE2-CD1 4.11Å; F450-L459 HydrophobicContact CG-CD1 4.33Å; F450-L459 HydrophobicContact CZ-CB 4.36Å; F450-L463 HydrophobicContact CE2-CD1 3.57Å; F450-L463 HydrophobicContact CE2-CG 4.15Å; F450-L463 HydrophobicContact CZ-CD1 3.43Å; F450-L463 VanDerWaalsContact CZ-CD1 3.43Å; F450-L463 HydrophobicContact CZ-CG 4.45Å |
| 451 | V | 96.9 | Very high | 96.6 | Very high | 99 Ų | 99 | 65.4 Ų | 65.4 | 60% | 0.6 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -70.4 | -48.8 | 173.9 | 179.5 | 0 | 0 | 0 | 0 | 111.6 | S447 F449 Y453 R454 | S447-V451 PolarHBondContact O-N 3.2Å; F449-V451 VanDerWaalsContact C-N 3.26Å; F449-V451 PolarHBondContact O-N 3.32Å; V451-Y453 VanDerWaalsContact C-N 3.29Å; V451-Y453 PolarHBondContact O-N 3.43Å; V451-R454 WeakPolarHBondContact O-CB 3.48Å; V451-R454 PolarHBondContact O-N 3.4Å |
| 452 | S | 96.6 | Very high | 96.6 | Very high | 74 Ų | 74 | 66 Ų | 66 | 52% | 0.517 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -71.6 | -18.7 | -172.1 | -55.5 | 0 | 0 | 0 | 0 | 114.5 | S448 F449 R456 | S448-S452 VanDerWaalsContact O-CB 3.24Å; S448-S452 WeakPolarHBondContact O-CB 3.25Å; S448-S452 PolarHBondContact O-N 2.89Å; S448-S452 PolarHBondContact O-OG 3.32Å; F449-S452 PolarHBondContact O-N 3.46Å; F449-S452 VanDerWaalsContact O-N 3.08Å; S452-R456 PolarHBondContact O-NH2 3.34Å |
| 453 | Y | 95.9 | Very high | 96.6 | Very high | 37 Ų | 37 | 64.9 Ų | 64.9 | 15% | 0.145 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -118.5 | 0.1 | -178.8 | -70.1 | -103.3 | 0 | 0 | 0 | 113.4 | Q417 F449 V451 R455 R456 F457 | Q417-Y453 HydrophobicContact CG-CE1 4.49Å; F449-Y453 HydrophobicContact CD2-CD1 4.35Å; F449-Y453 AromaticContact CD2-CD2 3.19Å; F449-Y453 HydrophobicContact CD2-CD2 3.19Å; F449-Y453 AromaticContact CD2-CE2 3.53Å; F449-Y453 HydrophobicContact CD2-CE2 3.53Å; F449-Y453 AromaticContact CD2-CG 3.65Å; F449-Y453 HydrophobicContact CD2-CG 3.65Å; F449-Y453 AromaticContact CE2-CD1 3.73Å; F449-Y453 HydrophobicContact CE2-CD1 3.73Å; F449-Y453 AromaticContact CE2-CD2 3.44Å; F449-Y453 HydrophobicContact CE2-CD2 3.44Å; F449-Y453 VanDerWaalsContact CE2-CD2 3.44Å; F449-Y453 HydrophobicContact CE2-CE1 4.1Å; F449-Y453 AromaticContact CE2-CE2 3.86Å; F449-Y453 HydrophobicContact CE2-CE2 3.86Å; F449-Y453 AromaticContact CE2-CG 3.35Å; F449-Y453 HydrophobicContact CE2-CG 3.35Å; F449-Y453 HydrophobicContact CG-CD2 4.05Å; F449-Y453 HydrophobicContact CZ-CD1 4.5Å; F449-Y453 HydrophobicContact CZ-CD2 4.47Å; F449-Y453 HydrophobicContact CZ-CG 4.1Å; F449-Y453 WeakPolarHBondContact O-CB 3.36Å; F449-Y453 WeakPolarHBondContact O-CD2 3.47Å; F449-Y453 PolarHBondContact O-N 2.92Å; V451-Y453 VanDerWaalsContact C-N 3.29Å; V451-Y453 PolarHBondContact O-N 3.43Å; Y453-R455 VanDerWaalsContact C-N 3.31Å; Y453-R455 PolarHBondContact O-N 3.5Å; Y453-R455 VanDerWaalsContact O-N 3.09Å; Y453-R456 VanDerWaalsContact CE1-NH2 3.31Å; Y453-R456 VanDerWaalsContact CZ-NH2 3.35Å; Y453-R456 PolarHBondContact O-N 3.14Å; Y453-F457 AromaticContact CD1-CD2 3.93Å; Y453-F457 HydrophobicContact CD1-CD2 3.93Å; Y453-F457 AromaticContact CD1-CE2 3.38Å; Y453-F457 HydrophobicContact CD1-CE2 3.38Å; Y453-F457 HydrophobicContact CD1-CZ 4.12Å; Y453-F457 HydrophobicContact CE1-CE2 4.07Å; Y453-F457 HydrophobicContact CG-CD2 4.29Å; Y453-F457 HydrophobicContact CG-CE2 4.09Å; Y453-F457 PolarHBondContact O-N 3.49Å; Y453-F457 VanDerWaalsContact O-N 3.12Å |
| 454 | R | 95.9 | Very high | 96.6 | Very high | 95 Ų | 95 | 69.1 Ų | 69.1 | 36% | 0.358 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -37 | -52.6 | 178.6 | -167.3 | 162.4 | 170.7 | 64.7 | 6.2 | 114.9 | F450 V451 N458 L459 D460 | F450-R454 WeakPolarHBondContact O-CA 3.36Å; F450-R454 WeakPolarHBondContact O-CB 3.44Å; F450-R454 PolarHBondContact O-N 2.75Å; V451-R454 WeakPolarHBondContact O-CB 3.48Å; V451-R454 PolarHBondContact O-N 3.4Å; R454-N458 PolarHBondContact O-N 2.82Å; R454-L459 PolarHBondContact O-N 3.35Å; R454-D460 IonicContact CZ-OD1 3.64Å; R454-D460 IonicContact CZ-OD2 3.64Å; R454-D460 IonicContact NE-OD2 2.66Å; R454-D460 PolarHBondContact NE-OD2 3.11Å; R454-D460 IonicContact NH1-OD1 3.17Å; R454-D460 PolarHBondContact NH1-OD1 2.86Å; R454-D460 IonicContact NH1-OD2 2.65Å; R454-D460 PolarHBondContact NH1-OD2 3.14Å; R454-D460 VanDerWaalsContact NH1-OD2 3.1Å; R454-D460 IonicContact NH2-OD1 2.93Å; R454-D460 PolarHBondContact NH2-OD1 3.39Å; R454-D460 IonicContact NH2-OD2 2.66Å; R454-D460 PolarHBondContact NH2-OD2 3.38Å |
| 455 | R | 96.9 | Very high | 96.4 | Very high | 239 Ų | 239 | 68.9 Ų | 68.9 | 90% | 0.902 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -16.3 | 180 | -64.3 | -172.6 | -176.6 | -178.9 | 1.2 | 114.9 | Y453 | Y453-R455 VanDerWaalsContact C-N 3.31Å; Y453-R455 PolarHBondContact O-N 3.5Å; Y453-R455 VanDerWaalsContact O-N 3.09Å |
| 456 | R | 95.1 | Very high | 96.4 | Very high | 150 Ų | 150 | 70.2 Ų | 70.2 | 57% | 0.566 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -26.9 | -175.4 | -74.7 | -173.5 | -76.9 | 163.3 | -3.7 | 113.3 | S452 Y453 | S452-R456 PolarHBondContact O-NH2 3.34Å; Y453-R456 VanDerWaalsContact CE1-NH2 3.31Å; Y453-R456 VanDerWaalsContact CZ-NH2 3.35Å; Y453-R456 PolarHBondContact O-N 3.14Å |
| 457 | F | 96.1 | Very high | 96.2 | Very high | 61 Ų | 61 | 72.3 Ų | 72.3 | 27% | 0.268 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | 23.3 | 174.9 | -58.7 | -50.3 | 0 | 0 | 0 | 112.2 | Q417 V421 F449 Y453 L459 | Q417-F457 HydrophobicContact CB-CE2 4.06Å; Q417-F457 HydrophobicContact CB-CZ 4.16Å; V421-F457 HydrophobicContact CG2-CB 3.7Å; V421-F457 HydrophobicContact CG2-CD1 4.33Å; V421-F457 HydrophobicContact CG2-CD2 3.53Å; V421-F457 HydrophobicContact CG2-CE2 4.2Å; V421-F457 HydrophobicContact CG2-CG 3.62Å; F449-F457 HydrophobicContact CE2-CD2 4.32Å; F449-F457 AromaticContact CE2-CE2 3.93Å; F449-F457 HydrophobicContact CE2-CE2 3.93Å; F449-F457 AromaticContact CZ-CD2 3.79Å; F449-F457 HydrophobicContact CZ-CD2 3.79Å; F449-F457 AromaticContact CZ-CE2 3.75Å; F449-F457 HydrophobicContact CZ-CE2 3.75Å; Y453-F457 AromaticContact CD1-CD2 3.93Å; Y453-F457 HydrophobicContact CD1-CD2 3.93Å; Y453-F457 AromaticContact CD1-CE2 3.38Å; Y453-F457 HydrophobicContact CD1-CE2 3.38Å; Y453-F457 HydrophobicContact CD1-CZ 4.12Å; Y453-F457 HydrophobicContact CE1-CE2 4.07Å; Y453-F457 HydrophobicContact CG-CD2 4.29Å; Y453-F457 HydrophobicContact CG-CE2 4.09Å; Y453-F457 PolarHBondContact O-N 3.49Å; Y453-F457 VanDerWaalsContact O-N 3.12Å; F457-L459 VanDerWaalsContact C-N 3.26Å; F457-L459 HydrophobicContact CB-CD2 3.82Å; F457-L459 HydrophobicContact CB-CG 4.25Å; F457-L459 PolarHBondContact O-N 3.09Å; F457-L459 VanDerWaalsContact O-N 3.07Å |
| 458 | N | 96.3 | Very high | 96 | Very high | 111 Ų | 111 | 73.1 Ų | 73.1 | 59% | 0.594 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.2 | 47.4 | 178.2 | -66.3 | 40.8 | 0 | 0 | 0 | 114 | R454 D460 E461 V462 | R454-N458 PolarHBondContact O-N 2.82Å; N458-D460 PolarHBondContact O-N 3.07Å; N458-E461 HydrophobicContact CB-CB 4.4Å; N458-E461 WeakPolarHBondContact O-CB 3.37Å; N458-E461 PolarHBondContact O-N 3.45Å; N458-V462 PolarHBondContact O-N 3.37Å |
| 459 | L | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.5 | -14.1 | -167.5 | -60.4 | -179.7 | 0 | 0 | 0 | 114.1 | V421 I424 F450 R454 F457 V462 L463 | V421-L459 HydrophobicContact CG2-CD2 4.2Å; I424-L459 HydrophobicContact CD1-CD1 4.11Å; I424-L459 HydrophobicContact CD1-CD2 4.06Å; F450-L459 HydrophobicContact CD2-CB 4.36Å; F450-L459 HydrophobicContact CD2-CD1 3.78Å; F450-L459 HydrophobicContact CE2-CB 3.83Å; F450-L459 HydrophobicContact CE2-CD1 4.11Å; F450-L459 HydrophobicContact CG-CD1 4.33Å; F450-L459 HydrophobicContact CZ-CB 4.36Å; R454-L459 PolarHBondContact O-N 3.35Å; F457-L459 VanDerWaalsContact C-N 3.26Å; F457-L459 HydrophobicContact CB-CD2 3.82Å; F457-L459 HydrophobicContact CB-CG 4.25Å; F457-L459 PolarHBondContact O-N 3.09Å; F457-L459 VanDerWaalsContact O-N 3.07Å; L459-V462 HydrophobicContact CD2-CG2 4.42Å; L459-L463 WeakPolarHBondContact O-CB 2.96Å; L459-L463 VanDerWaalsContact O-CG 3.28Å; L459-L463 WeakPolarHBondContact O-CG 3.38Å; L459-L463 PolarHBondContact O-N 3.32Å; L459-L463 VanDerWaalsContact O-N 3.12Å |
| 460 | D | 96.4 | Very high | 95.3 | Very high | 69 Ų | 69 | 78.2 Ų | 78.2 | 37% | 0.369 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -80.1 | -14.9 | 171.4 | -69.1 | -59.3 | 0 | 0 | 0 | 114.6 | R454 N458 R464 | R454-D460 IonicContact CZ-OD1 3.64Å; R454-D460 IonicContact CZ-OD2 3.64Å; R454-D460 IonicContact NE-OD2 2.66Å; R454-D460 PolarHBondContact NE-OD2 3.11Å; R454-D460 IonicContact NH1-OD1 3.17Å; R454-D460 PolarHBondContact NH1-OD1 2.86Å; R454-D460 IonicContact NH1-OD2 2.65Å; R454-D460 PolarHBondContact NH1-OD2 3.14Å; R454-D460 VanDerWaalsContact NH1-OD2 3.1Å; R454-D460 IonicContact NH2-OD1 2.93Å; R454-D460 PolarHBondContact NH2-OD1 3.39Å; R454-D460 IonicContact NH2-OD2 2.66Å; R454-D460 PolarHBondContact NH2-OD2 3.38Å; N458-D460 PolarHBondContact O-N 3.07Å; D460-R464 PolarHBondContact O-NH2 3.13Å |
| 461 | E | 96.6 | Very high | 94.9 | Very high | 83 Ų | 83 | 82.5 Ų | 82.5 | 39% | 0.388 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -81.9 | -52.9 | 167.3 | -157.4 | 62.7 | -135.1 | 0 | 0 | 109 | N458 L463 R464 E465 | N458-E461 HydrophobicContact CB-CB 4.4Å; N458-E461 WeakPolarHBondContact O-CB 3.37Å; N458-E461 PolarHBondContact O-N 3.45Å; E461-L463 VanDerWaalsContact C-N 3.26Å; E461-L463 PolarHBondContact O-N 3.11Å; E461-L463 VanDerWaalsContact O-N 3.17Å; E461-R464 VanDerWaalsContact CD-NH2 3.34Å; E461-R464 WeakPolarHBondContact O-CA 3.48Å; E461-R464 WeakPolarHBondContact O-CB 3.02Å; E461-R464 PolarHBondContact O-N 3.12Å; E461-R464 IonicContact OE1-CZ 2.72Å; E461-R464 IonicContact OE1-NH1 3.56Å; E461-R464 PolarHBondContact OE1-NH1 2.85Å; E461-R464 IonicContact OE1-NH2 3.1Å; E461-R464 IonicContact OE2-CZ 3.47Å; E461-R464 VanDerWaalsContact OE2-CZ 3.24Å; E461-R464 IonicContact OE2-NH1 2.69Å; E461-R464 PolarHBondContact OE2-NH1 3.2Å; E461-R464 IonicContact OE2-NH2 2.91Å; E461-R464 PolarHBondContact OE2-NH2 3.25Å; E461-E465 PolarHBondContact O-N 3.24Å |
| 462 | V | 96.2 | Very high | 94.4 | Very high | 17 Ų | 17 | 80.1 Ų | 80.1 | 10% | 0.103 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -50.4 | -43 | 177.7 | -176.6 | 0 | 0 | 0 | 0 | 112.3 | I424 R425 N458 L459 W466 | I424-V462 HydrophobicContact CB-CG1 4.42Å; I424-V462 HydrophobicContact CG2-CG1 3.87Å; R425-V462 HydrophobicContact CB-CG1 3.6Å; R425-V462 WeakPolarHBondContact CD-O 2.96Å; R425-V462 HydrophobicContact CG-CG1 4.17Å; N458-V462 PolarHBondContact O-N 3.37Å; L459-V462 HydrophobicContact CD2-CG2 4.42Å; V462-W466 PolarHBondContact O-N 2.69Å |
| 463 | L | 95.6 | Very high | 93.6 | Very high | 20 Ų | 20 | 79.5 Ų | 79.5 | 11% | 0.105 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -73.5 | -27.6 | 175.9 | -77.4 | -179.3 | 0 | 0 | 0 | 114.6 | I424 G428 K429 F450 L459 E461 A467 | I424-L463 HydrophobicContact CG2-CD2 3.97Å; I424-L463 HydrophobicContact CG2-CG 4.25Å; G428-L463 VanDerWaalsContact C-CD2 3.49Å; G428-L463 WeakPolarHBondContact O-CD2 3.48Å; K429-L463 HydrophobicContact CD-CD1 4.38Å; K429-L463 HydrophobicContact CG-CD1 4.13Å; K429-L463 HydrophobicContact CG-CD2 3.94Å; F450-L463 HydrophobicContact CE2-CD1 3.57Å; F450-L463 HydrophobicContact CE2-CG 4.15Å; F450-L463 HydrophobicContact CZ-CD1 3.43Å; F450-L463 VanDerWaalsContact CZ-CD1 3.43Å; F450-L463 HydrophobicContact CZ-CG 4.45Å; L459-L463 WeakPolarHBondContact O-CB 2.96Å; L459-L463 VanDerWaalsContact O-CG 3.28Å; L459-L463 WeakPolarHBondContact O-CG 3.38Å; L459-L463 PolarHBondContact O-N 3.32Å; L459-L463 VanDerWaalsContact O-N 3.12Å; E461-L463 VanDerWaalsContact C-N 3.26Å; E461-L463 PolarHBondContact O-N 3.11Å; E461-L463 VanDerWaalsContact O-N 3.17Å; L463-A467 WeakPolarHBondContact O-CB 3.42Å; L463-A467 PolarHBondContact O-N 3.33Å |
| 464 | R | 96.3 | Very high | 92.7 | Very high | 137 Ų | 137 | 80.3 Ų | 80.3 | 52% | 0.517 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -76.2 | -40.8 | 178.8 | -163 | -170.4 | -43.3 | 124.3 | 28.9 | 110.6 | D460 E461 A467 A468 | D460-R464 PolarHBondContact O-NH2 3.13Å; E461-R464 VanDerWaalsContact CD-NH2 3.34Å; E461-R464 WeakPolarHBondContact O-CA 3.48Å; E461-R464 WeakPolarHBondContact O-CB 3.02Å; E461-R464 PolarHBondContact O-N 3.12Å; E461-R464 IonicContact OE1-CZ 2.72Å; E461-R464 IonicContact OE1-NH1 3.56Å; E461-R464 PolarHBondContact OE1-NH1 2.85Å; E461-R464 IonicContact OE1-NH2 3.1Å; E461-R464 IonicContact OE2-CZ 3.47Å; E461-R464 VanDerWaalsContact OE2-CZ 3.24Å; E461-R464 IonicContact OE2-NH1 2.69Å; E461-R464 PolarHBondContact OE2-NH1 3.2Å; E461-R464 IonicContact OE2-NH2 2.91Å; E461-R464 PolarHBondContact OE2-NH2 3.25Å; R464-A467 PolarHBondContact O-N 3.27Å; R464-A468 PolarHBondContact O-N 2.62Å |
| 465 | E | 94.3 | Very high | 91.8 | Very high | 83 Ų | 83 | 84 Ų | 84 | 39% | 0.388 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59 | -49.1 | 170.2 | -67.1 | 178.4 | -142.3 | 0 | 0 | 111.2 | R425 E461 A467 A468 E469 | R425-E465 IonicContact CZ-OE2 3.89Å; R425-E465 VanDerWaalsContact CZ-OE2 3.29Å; R425-E465 IonicContact NE-OE2 3.35Å; R425-E465 PolarHBondContact NE-OE2 3.48Å; R425-E465 IonicContact NH2-OE2 2.68Å; R425-E465 PolarHBondContact NH2-OE2 2.88Å; E461-E465 PolarHBondContact O-N 3.24Å; E465-A467 VanDerWaalsContact C-N 3.33Å; E465-A467 PolarHBondContact O-N 2.61Å; E465-A468 WeakPolarHBondContact O-CB 3.35Å; E465-A468 PolarHBondContact O-N 3.31Å; E465-A468 VanDerWaalsContact O-N 3.14Å; E465-E469 PolarHBondContact O-N 3.1Å |
| 466 | W | 95.4 | Very high | 90.6 | Very high | 66 Ų | 66 | 77.5 Ų | 77.5 | 25% | 0.25 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -56.5 | -46 | 174.1 | 176.6 | 80 | 0 | 0 | 0 | 112 | R426 V462 A468 E469 Q470 | R426-W466 PolarHBondContact O-NE1 2.82Å; V462-W466 PolarHBondContact O-N 2.69Å; W466-A468 VanDerWaalsContact C-N 3.3Å; W466-A468 PolarHBondContact O-N 3.27Å; W466-E469 PolarHBondContact O-N 3.3Å; W466-Q470 HydrophobicContact CD2-CG 4.02Å; W466-Q470 HydrophobicContact CE3-CG 4.36Å; W466-Q470 HydrophobicContact CH2-CG 4.06Å; W466-Q470 HydrophobicContact CZ2-CG 3.67Å; W466-Q470 HydrophobicContact CZ3-CG 4.38Å; W466-Q470 WeakPolarHBondContact O-CG 3.46Å; W466-Q470 PolarHBondContact O-N 3.39Å |
| 467 | A | 94.3 | Very high | 89.3 | Confident | 45 Ų | 45 | 76 Ų | 76 | 37% | 0.372 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63 | -34.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L463 R464 E465 V471 | L463-A467 WeakPolarHBondContact O-CB 3.42Å; L463-A467 PolarHBondContact O-N 3.33Å; R464-A467 PolarHBondContact O-N 3.27Å; E465-A467 VanDerWaalsContact C-N 3.33Å; E465-A467 PolarHBondContact O-N 2.61Å; A467-V471 WeakPolarHBondContact O-CG2 3.26Å; A467-V471 PolarHBondContact O-N 2.82Å |
| 468 | A | 93.3 | Very high | 88 | Confident | 61 Ų | 61 | 79.4 Ų | 79.4 | 50% | 0.504 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68 | -42.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | R464 E465 W466 Q470 V471 A472 | R464-A468 PolarHBondContact O-N 2.62Å; E465-A468 WeakPolarHBondContact O-CB 3.35Å; E465-A468 PolarHBondContact O-N 3.31Å; E465-A468 VanDerWaalsContact O-N 3.14Å; W466-A468 VanDerWaalsContact C-N 3.3Å; W466-A468 PolarHBondContact O-N 3.27Å; A468-Q470 PolarHBondContact O-N 3.12Å; A468-V471 PolarHBondContact O-N 3.38Å; A468-V471 VanDerWaalsContact O-N 3.16Å; A468-A472 PolarHBondContact O-N 2.72Å |
| 469 | E | 91.4 | Very high | 86.5 | Confident | 84 Ų | 84 | 77.6 Ų | 77.6 | 39% | 0.393 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.2 | -37.5 | 174.9 | -75.6 | 176.7 | -174 | 0 | 0 | 112.6 | R425 E465 W466 V471 A472 T473 | R425-E469 IonicContact CZ-OE1 3.51Å; R425-E469 VanDerWaalsContact CZ-OE1 3.32Å; R425-E469 IonicContact CZ-OE2 2.74Å; R425-E469 IonicContact NH1-OE1 3.85Å; R425-E469 PolarHBondContact NH1-OE1 3.09Å; R425-E469 VanDerWaalsContact NH1-OE1 3.09Å; R425-E469 IonicContact NH1-OE2 2.95Å; R425-E469 PolarHBondContact NH1-OE2 3.46Å; R425-E469 IonicContact NH2-OE1 2.69Å; R425-E469 PolarHBondContact NH2-OE1 3.26Å; R425-E469 IonicContact NH2-OE2 2.81Å; E465-E469 PolarHBondContact O-N 3.1Å; W466-E469 PolarHBondContact O-N 3.3Å; E469-V471 VanDerWaalsContact C-N 3.27Å; E469-V471 PolarHBondContact O-N 3.31Å; E469-A472 PolarHBondContact O-N 3.36Å; E469-T473 WeakPolarHBondContact O-CB 3.19Å; E469-T473 WeakPolarHBondContact O-CG2 3.41Å; E469-T473 PolarHBondContact O-N 2.87Å; E469-T473 PolarHBondContact O-OG1 3.03Å |
| 470 | Q | 88.4 | Confident | 85 | Confident | 96 Ų | 96 | 80.6 Ų | 80.6 | 45% | 0.449 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.9 | -30 | 173.4 | -66.7 | -57.1 | 111.5 | 0 | 0 | 112.7 | W466 A468 S474 | W466-Q470 HydrophobicContact CD2-CG 4.02Å; W466-Q470 HydrophobicContact CE3-CG 4.36Å; W466-Q470 HydrophobicContact CH2-CG 4.06Å; W466-Q470 HydrophobicContact CZ2-CG 3.67Å; W466-Q470 HydrophobicContact CZ3-CG 4.38Å; W466-Q470 WeakPolarHBondContact O-CG 3.46Å; W466-Q470 PolarHBondContact O-N 3.39Å; A468-Q470 PolarHBondContact O-N 3.12Å; Q470-S474 WeakPolarHBondContact O-CB 3.37Å; Q470-S474 PolarHBondContact O-N 3.28Å |
| 471 | V | 88.6 | Confident | 83.4 | Confident | 106 Ų | 106 | 85.6 Ų | 85.6 | 64% | 0.642 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -74.8 | -42.4 | 173.6 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | A467 A468 E469 S474 R475 | A467-V471 WeakPolarHBondContact O-CG2 3.26Å; A467-V471 PolarHBondContact O-N 2.82Å; A468-V471 PolarHBondContact O-N 3.38Å; A468-V471 VanDerWaalsContact O-N 3.16Å; E469-V471 VanDerWaalsContact C-N 3.27Å; E469-V471 PolarHBondContact O-N 3.31Å; V471-S474 PolarHBondContact O-N 3.36Å; V471-R475 PolarHBondContact O-N 2.99Å; V471-R475 VanDerWaalsContact O-N 3.17Å |
| 472 | A | 85.6 | Confident | 81.8 | Confident | 49 Ų | 49 | 89.8 Ų | 89.8 | 41% | 0.405 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.7 | -56.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A468 E469 S474 R475 D476 | A468-A472 PolarHBondContact O-N 2.72Å; E469-A472 PolarHBondContact O-N 3.36Å; A472-S474 PolarHBondContact O-N 3.46Å; A472-S474 VanDerWaalsContact O-N 3.15Å; A472-R475 WeakPolarHBondContact O-CA 3.46Å; A472-R475 VanDerWaalsContact O-CB 3.28Å; A472-R475 WeakPolarHBondContact O-CB 3.41Å; A472-R475 PolarHBondContact O-N 2.91Å; A472-D476 PolarHBondContact O-N 2.89Å |
| 473 | T | 81.6 | Confident | 79.9 | Confident | 60 Ų | 60 | 91.9 Ų | 91.9 | 37% | 0.368 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.6 | -23.3 | -180 | 55 | 0 | 0 | 0 | 0 | 113.9 | E469 Q477 | E469-T473 WeakPolarHBondContact O-CB 3.19Å; E469-T473 WeakPolarHBondContact O-CG2 3.41Å; E469-T473 PolarHBondContact O-N 2.87Å; E469-T473 PolarHBondContact O-OG1 3.03Å; T473-Q477 WeakPolarHBondContact O-CB 3.44Å; T473-Q477 WeakPolarHBondContact O-CG 3.27Å; T473-Q477 PolarHBondContact O-N 3.41Å; T473-Q477 PolarHBondContact O-NE2 3.13Å |
| 474 | S | 77.1 | Confident | 78 | Confident | 54 Ų | 54 | 94.9 Ų | 94.9 | 38% | 0.378 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -77.5 | -25.2 | 171 | -174.7 | 0 | 0 | 0 | 0 | 113.2 | Q470 V471 A472 K478 | Q470-S474 WeakPolarHBondContact O-CB 3.37Å; Q470-S474 PolarHBondContact O-N 3.28Å; V471-S474 PolarHBondContact O-N 3.36Å; A472-S474 PolarHBondContact O-N 3.46Å; A472-S474 VanDerWaalsContact O-N 3.15Å; S474-K478 WeakPolarHBondContact O-CG 3.44Å |
| 475 | R | 75.6 | Confident | 76.1 | Confident | 174 Ų | 174 | 94.8 Ų | 94.8 | 66% | 0.657 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -76 | -50.3 | 172.3 | -178.5 | 176.1 | 179.6 | 166.8 | -0.1 | 110.6 | V471 A472 Q477 K478 D479 | V471-R475 PolarHBondContact O-N 2.99Å; V471-R475 VanDerWaalsContact O-N 3.17Å; A472-R475 WeakPolarHBondContact O-CA 3.46Å; A472-R475 VanDerWaalsContact O-CB 3.28Å; A472-R475 WeakPolarHBondContact O-CB 3.41Å; A472-R475 PolarHBondContact O-N 2.91Å; R475-Q477 VanDerWaalsContact C-N 3.25Å; R475-Q477 PolarHBondContact O-N 3.32Å; R475-K478 WeakPolarHBondContact O-CA 3.41Å; R475-K478 WeakPolarHBondContact O-CB 3.43Å; R475-K478 PolarHBondContact O-N 2.96Å; R475-D479 WeakPolarHBondContact CG-OD2 3.47Å; R475-D479 IonicContact NE-OD2 3.24Å; R475-D479 PolarHBondContact O-N 3.4Å |
| 476 | D | 71.5 | Confident | 74.2 | Confident | 101 Ų | 101 | 98 Ų | 98 | 54% | 0.54 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.5 | -39.9 | 179.4 | -55.8 | -36.9 | 0 | 0 | 0 | 111.7 | A472 K478 D479 A480 | A472-D476 PolarHBondContact O-N 2.89Å; D476-K478 VanDerWaalsContact C-N 3.29Å; D476-K478 PolarHBondContact O-N 3.44Å; D476-D479 PolarHBondContact O-N 3.25Å; D476-A480 WeakPolarHBondContact O-CB 3.3Å; D476-A480 PolarHBondContact O-N 3.41Å |
| 477 | Q | 69.1 | Low | 72.3 | Confident | 120 Ų | 120 | 101.8 Ų | 101.8 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.2 | -19.8 | 174.9 | -79.9 | 175.9 | 85.2 | 0 | 0 | 115.1 | T473 R475 R481 | T473-Q477 WeakPolarHBondContact O-CB 3.44Å; T473-Q477 WeakPolarHBondContact O-CG 3.27Å; T473-Q477 PolarHBondContact O-N 3.41Å; T473-Q477 PolarHBondContact O-NE2 3.13Å; R475-Q477 VanDerWaalsContact C-N 3.25Å; R475-Q477 PolarHBondContact O-N 3.32Å; Q477-R481 WeakPolarHBondContact O-CD 3.32Å; Q477-R481 VanDerWaalsContact O-CG 3.27Å; Q477-R481 WeakPolarHBondContact O-CG 3.36Å |
| 478 | K | 68.3 | Low | 70.3 | Confident | 131 Ų | 131 | 103.4 Ų | 103.4 | 57% | 0.57 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -85.5 | -42 | 173.2 | -73.1 | 171.1 | -178.8 | 173.9 | 0 | 111 | S474 R475 D476 R481 R482 | S474-K478 WeakPolarHBondContact O-CG 3.44Å; R475-K478 WeakPolarHBondContact O-CA 3.41Å; R475-K478 WeakPolarHBondContact O-CB 3.43Å; R475-K478 PolarHBondContact O-N 2.96Å; D476-K478 VanDerWaalsContact C-N 3.29Å; D476-K478 PolarHBondContact O-N 3.44Å; K478-R481 PolarHBondContact O-N 3.33Å; K478-R482 PolarHBondContact O-N 3.08Å |
| 479 | D | 64.5 | Low | 68.2 | Low | 74 Ų | 74 | 104.6 Ų | 104.6 | 40% | 0.396 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.7 | -35.8 | -179.9 | -64.2 | -30.3 | 0 | 0 | 0 | 110.7 | R475 D476 R481 R482 S483 | R475-D479 WeakPolarHBondContact CG-OD2 3.47Å; R475-D479 IonicContact NE-OD2 3.24Å; R475-D479 PolarHBondContact O-N 3.4Å; D476-D479 PolarHBondContact O-N 3.25Å; D479-R481 PolarHBondContact O-N 2.68Å; D479-R482 PolarHBondContact O-N 3.46Å; D479-S483 PolarHBondContact O-N 3.25Å |
| 480 | A | 65.8 | Low | 65.9 | Low | 62 Ų | 62 | 108.1 Ų | 108.1 | 51% | 0.512 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.7 | -33.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D476 S484 | D476-A480 WeakPolarHBondContact O-CB 3.3Å; D476-A480 PolarHBondContact O-N 3.41Å; A480-S484 PolarHBondContact O-N 2.94Å; A480-S484 VanDerWaalsContact O-N 3.13Å |
| 481 | R | 61.7 | Low | 63.6 | Low | 175 Ų | 175 | 107.4 Ų | 107.4 | 66% | 0.66 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.9 | -46.5 | 173.6 | -78.9 | 175.3 | -176.2 | -138.6 | -0.2 | 111.3 | Q477 K478 D479 S483 S484 E485 | Q477-R481 WeakPolarHBondContact O-CD 3.32Å; Q477-R481 VanDerWaalsContact O-CG 3.27Å; Q477-R481 WeakPolarHBondContact O-CG 3.36Å; K478-R481 PolarHBondContact O-N 3.33Å; D479-R481 PolarHBondContact O-N 2.68Å; R481-S483 VanDerWaalsContact C-N 3.34Å; R481-S483 PolarHBondContact O-N 2.98Å; R481-S484 CarbonylContact O-C 3.54Å; R481-S484 WeakPolarHBondContact O-CA 3.34Å; R481-S484 WeakPolarHBondContact O-CB 3.46Å; R481-S484 PolarHBondContact O-N 3Å; R481-E485 WeakPolarHBondContact O-CG 3.44Å; R481-E485 PolarHBondContact O-N 2.98Å |
| 482 | R | 62.7 | Low | 61.2 | Low | 171 Ų | 171 | 106 Ų | 106 | 65% | 0.645 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -56.6 | -45.5 | 174.8 | -77.9 | 177.4 | 156.5 | -169 | -11.7 | 112.7 | K478 D479 S484 E485 E486 | K478-R482 PolarHBondContact O-N 3.08Å; D479-R482 PolarHBondContact O-N 3.46Å; R482-S484 VanDerWaalsContact C-N 3.28Å; R482-S484 PolarHBondContact O-N 3.38Å; R482-E485 PolarHBondContact O-N 3.24Å; R482-E486 PolarHBondContact O-N 3.4Å |
| 483 | S | 57.8 | Low | 58.7 | Low | 61 Ų | 61 | 107.6 Ų | 107.6 | 43% | 0.427 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -61.3 | -36.1 | 175.8 | 179 | 0 | 0 | 0 | 0 | 112.4 | D479 R481 E485 L487 | D479-S483 PolarHBondContact O-N 3.25Å; R481-S483 VanDerWaalsContact C-N 3.34Å; R481-S483 PolarHBondContact O-N 2.98Å; S483-E485 VanDerWaalsContact C-N 3.3Å; S483-E485 PolarHBondContact O-N 2.76Å; S483-L487 WeakPolarHBondContact O-CG 3.44Å; S483-L487 PolarHBondContact O-N 3.41Å |
| 484 | S | 55.7 | Low | 56.3 | Low | 83 Ų | 83 | 108.6 Ų | 108.6 | 58% | 0.58 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -73.1 | -17.4 | 173.1 | -172.3 | 0 | 0 | 0 | 0 | 114.2 | A480 R481 R482 | A480-S484 PolarHBondContact O-N 2.94Å; A480-S484 VanDerWaalsContact O-N 3.13Å; R481-S484 CarbonylContact O-C 3.54Å; R481-S484 WeakPolarHBondContact O-CA 3.34Å; R481-S484 WeakPolarHBondContact O-CB 3.46Å; R481-S484 PolarHBondContact O-N 3Å; R482-S484 VanDerWaalsContact C-N 3.28Å; R482-S484 PolarHBondContact O-N 3.38Å |
| 485 | E | 55.6 | Low | 54.4 | Low | 134 Ų | 134 | 115.5 Ų | 115.5 | 63% | 0.626 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -88.6 | -36.6 | 176.2 | -71.3 | 171.2 | 118.5 | 0 | 0 | 111.2 | R481 R482 S483 A488 | R481-E485 WeakPolarHBondContact O-CG 3.44Å; R481-E485 PolarHBondContact O-N 2.98Å; R482-E485 PolarHBondContact O-N 3.24Å; S483-E485 VanDerWaalsContact C-N 3.3Å; S483-E485 PolarHBondContact O-N 2.76Å; E485-A488 PolarHBondContact O-N 3.12Å |
| 486 | E | 54.5 | Low | 52.4 | Low | 152 Ų | 152 | 116.5 Ų | 116.5 | 71% | 0.71 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -64.7 | -43.9 | 172.3 | -75.3 | -174.5 | 134 | 0 | 0 | 112.4 | R482 A488 A489 | R482-E486 PolarHBondContact O-N 3.4Å; E486-A488 PolarHBondContact O-N 3.38Å; E486-A489 WeakPolarHBondContact O-CB 3.36Å; E486-A489 PolarHBondContact O-N 3.24Å |
| 487 | L | 54.6 | Low | 50.6 | Low | 144 Ų | 144 | 120 Ų | 120 | 75% | 0.754 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -10.1 | 178.4 | -69 | 172.2 | 0 | 0 | 0 | 114 | S483 | S483-L487 WeakPolarHBondContact O-CG 3.44Å; S483-L487 PolarHBondContact O-N 3.41Å |
| 488 | A | 52.4 | Low | 48.7 | Very low | 80 Ų | 80 | 123.4 Ų | 123.4 | 66% | 0.661 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -10.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E485 E486 | E485-A488 PolarHBondContact O-N 3.12Å; E486-A488 PolarHBondContact O-N 3.38Å |
| 489 | A | 49.4 | Very low | 46.9 | Very low | 85 Ų | 85 | 122.8 Ų | 122.8 | 70% | 0.702 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -22.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | E486 G491 | E486-A489 WeakPolarHBondContact O-CB 3.36Å; E486-A489 PolarHBondContact O-N 3.24Å; A489-G491 VanDerWaalsContact C-N 3.3Å; A489-G491 PolarHBondContact O-N 3.37Å |
| 490 | D | 43.6 | Very low | 45.1 | Very low | 159 Ų | 159 | 127.5 Ų | 127.5 | 85% | 0.85 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -81.9 | -5.3 | -176.7 | -158.3 | 48.1 | 0 | 0 | 0 | 113.6 | G492 | D490-G492 PolarHBondContact O-N 3.07Š|
| 491 | G | 39.1 | Very low | 43.5 | Very low | 81 Ų | 81 | 131.7 Ų | 131.7 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -90.7 | 26.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | A489 | A489-G491 VanDerWaalsContact C-N 3.3Å; A489-G491 PolarHBondContact O-N 3.37Å |
| 492 | G | 40 | Very low | 41.9 | Very low | 75 Ų | 75 | 132 Ų | 132 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | -154.6 | 71.9 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | D490 | D490-G492 PolarHBondContact O-N 3.07Š| ||
| 493 | G | 32 | Very low | 40.2 | Very low | 84 Ų | 84 | 130.7 Ų | 130.7 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | trans | -152 | 123.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 494 | G | 30.5 | Very low | 38.8 | Very low | 80 Ų | 80 | 132.6 Ų | 132.6 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | 168.9 | 84.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 495 | E | 37.1 | Very low | 38.9 | Very low | 200 Ų | 200 | 133.8 Ų | 133.8 | 94% | 0.935 | 78% | 0.78 | S | S | * | * | trans | -121.5 | 126.8 | -179.3 | -64.6 | -175.5 | 151.3 | 0 | 0 | 110.7 | ||||
| 496 | E | 33.9 | Very low | 38.7 | Very low | 194 Ų | 194 | 132.7 Ų | 132.7 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | trans | -158 | 138.7 | 161.6 | 48.7 | -166.6 | 147 | 0 | 0 | 105.7 | ||||
| 497 | E | 34.5 | Very low | 37.4 | Very low | 174 Ų | 174 | 132.1 Ų | 132.1 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | cis | -153.6 | 135.9 | 15.3 | 175.8 | -162.6 | 156 | 0 | 0 | 109.9 | ||||
| 498 | E | 29 | Very low | 37 | Very low | 192 Ų | 192 | 130.4 Ų | 130.4 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | trans | -161.3 | 160 | 137.4 | -137.1 | -178.5 | 115.1 | 0 | 0 | 111.2 | ||||
| 499 | V | 31.3 | Very low | 35.7 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | trans | -113.2 | 157.9 | -167.7 | -75.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 500 | K | 27 | Very low | 34.9 | Very low | 172 Ų | 172 | 132.2 Ų | 132.2 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | 153.2 | 114.3 | 115.8 | -173 | 172.7 | -178.5 | 179.7 | 0 | 117.3 | |||||
| 501 | M | 31.3 | Very low | 34.3 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | 67.5 | 133.6 | 146.6 | -66.4 | 165.7 | 176.8 | 0 | 0 | 123.3 | ||||
| 502 | E | 28.1 | Very low | 33.9 | Very low | 182 Ų | 182 | 131.8 Ų | 131.8 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | 42.5 | 148.4 | 144 | -60.7 | -173.2 | 119.3 | 0 | 0 | 121.2 | ||||
| 503 | D | 26.2 | Very low | 33.4 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | cis | -146.9 | 175.8 | 30.1 | -178 | 28.2 | 0 | 0 | 0 | 112.6 | ||||
| 504 | S | 29.8 | Very low | 34.5 | Very low | 101 Ų | 101 | 135.1 Ų | 135.1 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -168.8 | 165.3 | -177.2 | -82.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 505 | P | 56.8 | Low | 35.5 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | cis | -115.6 | -92.6 | -13.6 | 29.3 | -7.1 | 0 | 0 | 0 | 111 | ||||
| 506 | P | 51.1 | Low | 35.3 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | cis | -116.7 | 138.6 | -25.1 | 37.6 | -22.5 | 0 | 0 | 0 | 115.8 | ||||
| 507 | D | 27.7 | Very low | 35.3 | Very low | 141 Ų | 141 | 130.4 Ų | 130.4 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | 25.5 | 154.1 | 116 | -88.2 | -45.4 | 0 | 0 | 0 | 122.8 | |||||
| 508 | P | 46.6 | Very low | 35.2 | Very low | 108 Ų | 108 | 126.5 Ų | 126.5 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | cis | -150.7 | 171.6 | 42.7 | 44.4 | -24.7 | 0 | 0 | 0 | 121.4 | ||||
| 509 | C | 25.6 | Very low | 36.2 | Very low | 109 Ų | 109 | 122.8 Ų | 122.8 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | trans | 77.7 | 145.5 | 150.8 | -72.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 510 | S | 32.1 | Very low | 36.2 | Very low | 94 Ų | 94 | 122.3 Ų | 122.3 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | cis | -172.8 | 153 | -16.3 | -103.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 511 | S | 30.9 | Very low | 36.4 | Very low | 115 Ų | 115 | 119.8 Ų | 119.8 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | 61.8 | 149.5 | 155.4 | 48.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 512 | S | 30.7 | Very low | 36.7 | Very low | 115 Ų | 115 | 120.4 Ų | 120.4 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | cis | -164.6 | 152.1 | -7.5 | 42.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 513 | S | 30.3 | Very low | 36.9 | Very low | 112 Ų | 112 | 116.9 Ų | 116.9 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | -96.9 | -160.4 | 174.3 | -29.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 514 | P | 53.4 | Low | 37.6 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | cis | -117 | -109.5 | -24.1 | 37.9 | -20 | 0 | 0 | 0 | 109.8 | ||||
| 515 | P | 52.8 | Low | 38.3 | Very low | 112 Ų | 112 | 120 Ų | 120 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | -87.9 | 175.1 | -74.5 | 28 | -8.3 | 0 | 0 | 0 | 113.3 | |||||
| 516 | S | 31.3 | Very low | 38 | Very low | 111 Ų | 111 | 120.8 Ų | 120.8 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | cis | 95.5 | 103.5 | 17 | -162.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 517 | V | 34.9 | Very low | 37.9 | Very low | 152 Ų | 152 | 121.8 Ų | 121.8 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | -168.2 | 155.2 | 148.7 | -98.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 518 | A | 31.4 | Very low | 38.5 | Very low | 92 Ų | 92 | 123 Ų | 123 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -156.6 | -176.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 519 | P | 50.9 | Low | 38.2 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | cis | -130.9 | -169.7 | -11.3 | 40.2 | -22.8 | 0 | 0 | 0 | 113.2 | ||||
| 520 | S | 31.2 | Very low | 39 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | trans | 144.4 | 150.2 | 131.8 | -65.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 521 | S | 31.3 | Very low | 39.6 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | trans | 86.5 | 167.2 | 153.4 | 81.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 522 | L | 36.9 | Very low | 39.9 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -125.9 | 155.7 | -156.6 | -67.5 | 127.6 | 0 | 0 | 0 | 114.1 | ||||
| 523 | S | 34.1 | Very low | 41.5 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | 120 | 144.4 | 139.3 | -51 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 524 | Q | 39.7 | Very low | 42.6 | Very low | 192 Ų | 192 | 132.6 Ų | 132.6 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | 76.1 | 148.4 | 161 | -66.6 | -173.9 | -1.1 | 0 | 0 | 120.9 | ||||
| 525 | P | 43.8 | Very low | 41.6 | Very low | 117 Ų | 117 | 133 Ų | 133 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | trans | -100.3 | 161.7 | -179 | 39.7 | -35.7 | 0 | 0 | 0 | 114.6 | ||||
| 526 | P | 51.8 | Low | 40.9 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | trans | -86.4 | 164.7 | -178.8 | 34.6 | -36.1 | 0 | 0 | 0 | 115.3 | ||||
| 527 | P | 49.2 | Very low | 42.4 | Very low | 131 Ų | 131 | 131.9 Ų | 131.9 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | -109.2 | 179.9 | -161.3 | 42.1 | -36.9 | 0 | 0 | 0 | 117.1 | ||||
| 528 | L | 39.8 | Very low | 43.2 | Very low | 167 Ų | 167 | 130.6 Ų | 130.6 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -79 | 147.7 | 178 | -65.1 | 164.3 | 0 | 0 | 0 | 114.2 | ||||
| 529 | L | 40.3 | Very low | 43.6 | Very low | 182 Ų | 182 | 131.3 Ų | 131.3 | 95% | 0.953 | 81% | 0.805 | S | S | * | * | trans | -145 | 160.2 | 157.5 | -83.8 | -174.4 | 0 | 0 | 0 | 112.7 | ||||
| 530 | R | 42.8 | Very low | 42.8 | Very low | 225 Ų | 225 | 134.2 Ų | 134.2 | 85% | 0.849 | 81% | 0.813 | S | S | * | * | trans | -154 | 145.4 | -170.1 | -176.1 | -170.4 | -165.1 | 172 | 8.8 | 111.4 | ||||
| 531 | P | 44.1 | Very low | 43.2 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | trans | -120.2 | 173.5 | 154.7 | 10.4 | 12.1 | 0 | 0 | 0 | 113.3 | ||||
| 532 | A | 36.8 | Very low | 43.4 | Very low | 89 Ų | 89 | 143 Ų | 143 | 74% | 0.736 | 82% | 0.823 | S | S | * | * | trans | -146.4 | -165.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 533 | P | 64 | Low | 43.6 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | trans | -104 | -170 | -130.1 | 42.3 | -29.3 | 0 | 0 | 0 | 115 | ||||
| 534 | P | 53.6 | Low | 44.9 | Very low | 117 Ų | 117 | 144 Ų | 144 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | -152.4 | 160.8 | 106.5 | 39.6 | -22.7 | 0 | 0 | 0 | 119.1 | |||||
| 535 | S | 33.8 | Very low | 45.1 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | trans | 72 | 147.6 | 143 | -67.1 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 536 | A | 37.5 | Very low | 45.5 | Very low | 90 Ų | 90 | 140.5 Ų | 140.5 | 74% | 0.744 | 82% | 0.816 | S | S | * | * | trans | -148.9 | -165.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 537 | P | 62.8 | Low | 45 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 71% | 0.714 | 82% | 0.817 | S | S | * | * | cis | -121.8 | -142.4 | -9.5 | 32.2 | -6.6 | 0 | 0 | 0 | 110.7 | ||||
| 538 | P | 51.3 | Low | 44.5 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | -138.9 | 174.8 | 62.7 | 36.5 | -16.5 | 0 | 0 | 0 | 115.9 | |||||
| 539 | S | 40.8 | Very low | 44.3 | Very low | 108 Ų | 108 | 143 Ų | 143 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | trans | -104 | 155.2 | -174.6 | -47.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 540 | L | 33.8 | Very low | 44.2 | Very low | 175 Ų | 175 | 144.1 Ų | 144.1 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | trans | -142.2 | 152.6 | 158.6 | -80.9 | -176.6 | 0 | 0 | 0 | 112.6 | ||||
| 541 | L | 39.2 | Very low | 44.3 | Very low | 165 Ų | 165 | 139.3 Ų | 139.3 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -90 | 145 | -178.1 | -62.2 | 73.6 | 0 | 0 | 0 | 112 | ||||
| 542 | R | 36.3 | Very low | 43.7 | Very low | 247 Ų | 247 | 139.7 Ų | 139.7 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | trans | -162.7 | 168.3 | 132.8 | -124.4 | 175.9 | 168 | 159.1 | -3.2 | 114.8 | ||||
| 543 | Q | 39.4 | Very low | 43.7 | Very low | 168 Ų | 168 | 144.5 Ų | 144.5 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -84.7 | 164 | -172.7 | -66.1 | 163.4 | -43.1 | 0 | 0 | 113.6 | ||||
| 544 | P | 61.2 | Low | 42.2 | Very low | 127 Ų | 127 | 145.9 Ų | 145.9 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -92.9 | 136 | 176.1 | 35.6 | -33.5 | 0 | 0 | 0 | 114.4 | ||||
| 545 | P | 45 | Very low | 41.2 | Very low | 114 Ų | 114 | 151.1 Ų | 151.1 | 74% | 0.74 | 81% | 0.812 | S | S | * | * | trans | -143.5 | 174.7 | 159.4 | 39.2 | -23.8 | 0 | 0 | 0 | 114 | ||||
| 546 | P | 52.5 | Low | 41.4 | Very low | 120 Ų | 120 | 149.1 Ų | 149.1 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | cis | -133.8 | -170.6 | -38.4 | 38.8 | -22.3 | 0 | 0 | 0 | 112.7 | ||||
| 547 | L | 39.8 | Very low | 41.9 | Very low | 159 Ų | 159 | 150.3 Ų | 150.3 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -100.8 | 166 | 166.6 | -74 | 166.5 | 0 | 0 | 0 | 111.7 | ||||
| 548 | Q | 40.5 | Very low | 40.6 | Very low | 180 Ų | 180 | 154.1 Ų | 154.1 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | trans | 72.7 | 155.2 | 171 | -51.8 | 178.2 | -1.8 | 0 | 0 | 114 | ||||
| 549 | T | 34.8 | Very low | 40 | Very low | 138 Ų | 138 | 154.4 Ų | 154.4 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | cis | -139.5 | -168.5 | 29.9 | 54.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 550 | R | 37.3 | Very low | 40 | Very low | 204 Ų | 204 | 158 Ų | 158 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | trans | -136.6 | 146.3 | -172 | -168 | -171 | -164.8 | 179.9 | 6.7 | 109.7 | ||||
| 551 | P | 44.8 | Very low | 40.8 | Very low | 124 Ų | 124 | 154.5 Ų | 154.5 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | -137.6 | 148 | 124.2 | 35 | -22.9 | 0 | 0 | 0 | 112 | |||||
| 552 | L | 33.4 | Very low | 41.3 | Very low | 133 Ų | 133 | 152.3 Ų | 152.3 | 70% | 0.696 | 79% | 0.793 | S | S | * | * | cis | 97 | 91.5 | 28.9 | -85.8 | 175.3 | 0 | 0 | 0 | 116 | ||||
| 553 | Q | 36.8 | Very low | 41.6 | Very low | 189 Ų | 189 | 146.4 Ų | 146.4 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | -176.2 | 143.8 | 145.4 | -101 | 166 | 3.6 | 0 | 0 | 107.7 | ||||
| 554 | N | 30.8 | Very low | 42.1 | Very low | 146 Ų | 146 | 143.9 Ų | 143.9 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | cis | -150.3 | 153.1 | -15 | -150.9 | 1.8 | 0 | 0 | 0 | 112.6 | ||||
| 555 | R | 32.4 | Very low | 41.1 | Very low | 227 Ų | 227 | 146.1 Ų | 146.1 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | trans | -23.5 | 157.3 | 167.1 | -171.2 | -177.5 | -165.6 | 102.1 | -0.1 | 119.3 | ||||
| 556 | A | 39.4 | Very low | 40.6 | Very low | 82 Ų | 82 | 148 Ų | 148 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | cis | -175.7 | -145.3 | -22.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 557 | P | 46.6 | Very low | 39.9 | Very low | 116 Ų | 116 | 153.2 Ų | 153.2 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | -123.1 | 171.2 | -87.6 | 37.2 | -21.7 | 0 | 0 | 0 | 116.3 | |||||
| 558 | H | 36.2 | Very low | 40.8 | Very low | 189 Ų | 189 | 151.6 Ų | 151.6 | 88% | 0.875 | 80% | 0.795 | S | S | * | * | trans | -144.8 | 154.2 | 148.9 | -152.7 | 52 | 0 | 0 | 0 | 111.5 | ||||
| 559 | N | 38 | Very low | 40.3 | Very low | 131 Ų | 131 | 147.7 Ų | 147.7 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | -108.9 | 148.4 | -171.9 | -71.6 | -53.9 | 0 | 0 | 0 | 112.2 | ||||
| 560 | H | 42.4 | Very low | 40.4 | Very low | 184 Ų | 184 | 147.3 Ų | 147.3 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | -175.4 | 163.3 | 121.1 | -110.2 | -109.9 | 0 | 0 | 0 | 111.3 | |||||
| 561 | P | 50.1 | Low | 40.1 | Very low | 101 Ų | 101 | 143.6 Ų | 143.6 | 66% | 0.656 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 168 | -165 | 38 | -35.3 | 0 | 0 | 0 | 115 | ||
| 562 | P | 49.6 | Very low | 39.4 | Very low | 119 Ų | 119 | 143 Ų | 143 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 151.4 | 178.7 | 33.9 | -36.1 | 0 | 0 | 0 | 114.1 | ||
| 563 | P | 42.9 | Very low | 39.3 | Very low | 124 Ų | 124 | 141.7 Ų | 141.7 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 159.9 | 172 | 33.7 | -34.4 | 0 | 0 | 0 | 113.4 | ||
| 564 | P | 49.4 | Very low | 39 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | trans | -109.5 | 171.3 | -157.2 | 41.1 | -36.2 | 0 | 0 | 0 | 117 | ||||
| 565 | L | 40.1 | Very low | 39 | Very low | 173 Ų | 173 | 136.9 Ų | 136.9 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | trans | -80.4 | 134.8 | 165.1 | -78.5 | 138 | 0 | 0 | 0 | 111.7 | ||||
| 566 | I | 35.6 | Very low | 38.8 | Very low | 154 Ų | 154 | 131.1 Ų | 131.1 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -137.8 | 144.5 | 165.2 | -64.9 | -176 | 0 | 0 | 0 | 109.5 | ||||
| 567 | R | 37.4 | Very low | 38.4 | Very low | 230 Ų | 230 | 134.9 Ų | 134.9 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | trans | -124.2 | -170 | 168.8 | -59.4 | 177.2 | 154.2 | 172.3 | -6.7 | 110.3 | ||||
| 568 | P | 57.5 | Low | 37.6 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | -87.5 | 171.2 | -126.8 | 39.3 | -23.1 | 0 | 0 | 0 | 114.8 | |||||
| 569 | A | 31.2 | Very low | 37.2 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -136.3 | 159.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 570 | V | 35.6 | Very low | 36.8 | Very low | 129 Ų | 129 | 134.6 Ų | 134.6 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | trans | -138.6 | -173.2 | -177.4 | -75.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 571 | T | 31.7 | Very low | 37.8 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | 78.8 | 124.6 | -179.8 | 79.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 572 | S | 30.2 | Very low | 38.1 | Very low | 112 Ų | 112 | 132 Ų | 132 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | 105.5 | 151.3 | 67.5 | -73.7 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 573 | S | 31.1 | Very low | 37.4 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | cis | -168.2 | -179.6 | 4.8 | 31 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 574 | S | 30.3 | Very low | 36.9 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | 79.8 | 154.8 | 167.1 | 86.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 575 | S | 30.5 | Very low | 36.1 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | cis | -144.6 | -178.5 | 2.8 | 62.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 576 | S | 29.9 | Very low | 35.9 | Very low | 106 Ų | 106 | 127.2 Ų | 127.2 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -122.8 | -179.3 | -166 | -51.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 577 | L | 30.8 | Very low | 36 | Very low | 161 Ų | 161 | 124.8 Ų | 124.8 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | 80 | 155.2 | 171.7 | -46.6 | 177 | 0 | 0 | 0 | 114.4 | ||||
| 578 | R | 28.9 | Very low | 36 | Very low | 237 Ų | 237 | 118.2 Ų | 118.2 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | cis | -154.6 | 165.6 | -2.8 | -126.1 | 173.6 | -171.6 | -147.3 | 4.9 | 105.4 | ||||
| 579 | G | 27.1 | Very low | 34.7 | Very low | 73 Ų | 73 | 116.9 Ų | 116.9 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | cis | 173.9 | -174.8 | 12.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 580 | S | 31.5 | Very low | 34.9 | Very low | 119 Ų | 119 | 120 Ų | 120 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -123.9 | -175.1 | -169.7 | -21.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 581 | P | 61.9 | Low | 35 | Very low | 121 Ų | 121 | 121.8 Ų | 121.8 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | cis | -114.5 | -110.5 | -10.4 | 34.3 | -12.2 | 0 | 0 | 0 | 111.1 | ||||
| 582 | P | 57.2 | Low | 36.1 | Very low | 110 Ų | 110 | 120.5 Ų | 120.5 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | cis | -128.2 | -169 | -0.9 | 45.4 | -27.5 | 0 | 0 | 0 | 116.2 | ||||
| 583 | S | 33.7 | Very low | 37.3 | Very low | 111 Ų | 111 | 119.9 Ų | 119.9 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | -3.2 | 153 | 150.9 | -57.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 584 | S | 33.5 | Very low | 37.5 | Very low | 100 Ų | 100 | 120.1 Ų | 120.1 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | cis | -172.2 | 171.9 | -4.1 | 46.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 585 | S | 33.4 | Very low | 37.7 | Very low | 113 Ų | 113 | 121.5 Ų | 121.5 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | 65.5 | 146.6 | 164 | 36.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 586 | S | 35.1 | Very low | 37.9 | Very low | 107 Ų | 107 | 122.2 Ų | 122.2 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | cis | -170.9 | 145.4 | -10.1 | 47.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 587 | A | 36.8 | Very low | 38 | Very low | 103 Ų | 103 | 119.8 Ų | 119.8 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | trans | 61.7 | 161.9 | 154.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 588 | A | 38.2 | Very low | 38.1 | Very low | 91 Ų | 91 | 120.4 Ų | 120.4 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | cis | -170.3 | 162.5 | -24.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 589 | C | 31.2 | Very low | 38.2 | Very low | 98 Ų | 98 | 117.4 Ų | 117.4 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | cis | -141 | 140.2 | -3.4 | -118.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 590 | Q | 34.5 | Very low | 38.5 | Very low | 164 Ų | 164 | 119.4 Ų | 119.4 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | 60.2 | 118 | 104.8 | -59.6 | -174.5 | 40 | 0 | 0 | 115.6 | |||||
| 591 | M | 37 | Very low | 38.4 | Very low | 166 Ų | 166 | 122.1 Ų | 122.1 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | cis | 78.7 | 157.7 | 48.9 | -66.4 | -82.3 | -75.7 | 0 | 0 | 113.1 | ||||
| 592 | P | 54.8 | Low | 37.3 | Very low | 98 Ų | 98 | 124.5 Ų | 124.5 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | cis | -141.1 | -130.8 | -39.7 | 41.8 | -22.3 | 0 | 0 | 0 | 109.2 | ||||
| 593 | P | 56.6 | Low | 37.2 | Very low | 99 Ų | 99 | 124 Ų | 124 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | cis | -129.2 | 161.7 | -38.8 | 36.7 | -21.7 | 0 | 0 | 0 | 115.3 | ||||
| 594 | S | 34.3 | Very low | 37.4 | Very low | 112 Ų | 112 | 125.4 Ų | 125.4 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | trans | 48.9 | 178 | 135.4 | -49.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 595 | L | 34.6 | Very low | 38 | Very low | 150 Ų | 150 | 125.2 Ų | 125.2 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | cis | -163.4 | 162.1 | 13.5 | -141.5 | 153 | 0 | 0 | 0 | 108.9 | ||||
| 596 | V | 35.9 | Very low | 38.5 | Very low | 127 Ų | 127 | 132.1 Ų | 132.1 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | 68.2 | 140.9 | 171 | -166 | 0 | 0 | 0 | 0 | 114 | ||||
| 597 | G | 30.3 | Very low | 38.7 | Very low | 56 Ų | 56 | 133.4 Ų | 133.4 | 58% | 0.577 | 76% | 0.764 | S | S | * | * | cis | 124.2 | 133.8 | 4.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 598 | L | 34.6 | Very low | 38.8 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | trans | 66 | 166.1 | 177.5 | -50.4 | 175.6 | 0 | 0 | 0 | 114.8 | ||||
| 599 | K | 29.8 | Very low | 38.8 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | cis | -175 | 129.4 | -36.6 | 170.4 | -173.5 | 171.3 | -170.4 | 0 | 107.4 | ||||
| 600 | V | 33.1 | Very low | 39.2 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | trans | 67.2 | 153.3 | 168.9 | 163 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 601 | E | 30.4 | Very low | 39.5 | Very low | 177 Ų | 177 | 138.2 Ų | 138.2 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | cis | -137.3 | -172.9 | 11.6 | -153.6 | 151.3 | 119.9 | 0 | 0 | 113 | ||||
| 602 | Q | 38.2 | Very low | 39.7 | Very low | 171 Ų | 171 | 136.3 Ų | 136.3 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | trans | -85.2 | -169 | 159.5 | -60.9 | -173.8 | -9.7 | 0 | 0 | 109.3 | ||||
| 603 | P | 55.9 | Low | 38.6 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 65% | 0.649 | 77% | 0.772 | S | S | * | * | cis | -137.9 | -163 | -1.4 | 44.6 | -25.5 | 0 | 0 | 0 | 115.4 | ||||
| 604 | N | 36.9 | Very low | 37.2 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | 76.1 | 116.5 | 155.1 | -77.5 | 10.5 | 0 | 0 | 0 | 121.6 | ||||
| 605 | S | 45.8 | Very low | 37.5 | Very low | 97 Ų | 97 | 144.7 Ų | 144.7 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | 57 | 110.3 | 119.2 | -46 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 606 | H | 44.5 | Very low | 37.8 | Very low | 257 Ų | 257 | 144.2 Ų | 144.2 | 100% | 1.19 | 78% | 0.781 | S | S | * | * | -147.9 | 0 | 95.2 | -128.6 | -60.1 | 0 | 0 | 0 | 113.4 |
Retrieved 606 of 606 residues in 370.3 ms
(Link to these results)