| 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 | S | 35.7 | Very low | 33 | Very low | 149 Ų | 149 | 145.7 Ų | 145.7 | 100% | 1.042 | 83% | 0.833 | S | S | * | * | 0 | 67.1 | 0 | 51.9 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 2 | D | 31.4 | Very low | 32.9 | Very low | 152 Ų | 152 | 148.5 Ų | 148.5 | 81% | 0.813 | 83% | 0.833 | S | S | * | * | 77.1 | 103.9 | 57.4 | -53.6 | -41.1 | 0 | 0 | 0 | 112.5 | |||||
| 3 | S | 35 | Very low | 32.7 | Very low | 107 Ų | 107 | 154 Ų | 154 | 75% | 0.748 | 83% | 0.833 | S | S | * | * | trans | 169.7 | 84.5 | 137.4 | 55.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 4 | T | 33 | Very low | 32.6 | Very low | 125 Ų | 125 | 151.5 Ų | 151.5 | 77% | 0.767 | 83% | 0.833 | S | S | * | * | 54.7 | 96.4 | 89.7 | 65.4 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 5 | L | 33.1 | Very low | 32.5 | Very low | 177 Ų | 177 | 146.2 Ų | 146.2 | 93% | 0.927 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 133.5 | 153.3 | -79.7 | 161.9 | 0 | 0 | 0 | 108.8 | ||
| 6 | L | 33.1 | Very low | 32.3 | Very low | 155 Ų | 155 | 147.9 Ų | 147.9 | 81% | 0.812 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 143.9 | 171.4 | -78.9 | 81 | 0 | 0 | 0 | 110.6 | ||
| 7 | P | 32.3 | Very low | 31.9 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 123.6 | 150.6 | 32.9 | -26 | 0 | 0 | 0 | 109.3 | ||
| 8 | D | 30.4 | Very low | 31.6 | Very low | 150 Ų | 150 | 147.6 Ų | 147.6 | 80% | 0.802 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 126.3 | 173.1 | -154.7 | -12.1 | 0 | 0 | 0 | 109.7 | ||
| 9 | C | 30.5 | Very low | 31.5 | Very low | 115 Ų | 115 | 146.6 Ų | 146.6 | 78% | 0.777 | 83% | 0.826 | S | S | * | * | trans | -158.2 | 87.6 | -171.9 | -152.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 10 | N | 32.9 | Very low | 31.3 | Very low | 159 Ų | 159 | 145.2 Ų | 145.2 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | trans | -105.5 | 151.7 | 174.2 | -94.3 | -47.2 | 0 | 0 | 0 | 112.2 | ||||
| 11 | K | 35.6 | Very low | 31.2 | Very low | 195 Ų | 195 | 146.9 Ų | 146.9 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | trans | -150.1 | 134.7 | -139.8 | 170 | -167.7 | -178.4 | -179.1 | 0 | 111.5 | ||||
| 12 | E | 31.4 | Very low | 30.7 | Very low | 179 Ų | 179 | 146.7 Ų | 146.7 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | trans | -162.4 | 141.8 | 156 | -108.7 | 172.3 | -141.4 | 0 | 0 | 106.5 | ||||
| 13 | R | 30.6 | Very low | 30.6 | Very low | 220 Ų | 220 | 150 Ų | 150 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | cis | -160.7 | 152.2 | 18.1 | -174.2 | 173.7 | -178.3 | 173.5 | 0.8 | 109.8 | ||||
| 14 | S | 31.4 | Very low | 30.2 | Very low | 119 Ų | 119 | 151.9 Ų | 151.9 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | 56.6 | 127.4 | 177.6 | 44.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 15 | G | 30.6 | Very low | 29.9 | Very low | 72 Ų | 72 | 151.5 Ų | 151.5 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | cis | 100.4 | 102 | 32.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 16 | I | 29 | Very low | 29.6 | Very low | 173 Ų | 173 | 149.2 Ų | 149.2 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | -149.3 | 146.9 | 68.4 | -76 | 149.7 | 0 | 0 | 0 | 110.4 | |||||
| 17 | C | 26.7 | Very low | 29.3 | Very low | 122 Ų | 122 | 147.5 Ų | 147.5 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -97.8 | 148.8 | 171.4 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 18 | N | 25.6 | Very low | 29.2 | Very low | 169 Ų | 169 | 147.6 Ų | 147.6 | 90% | 0.904 | 81% | 0.806 | S | S | * | * | trans | -143.3 | 142.2 | 143.7 | -150.1 | -2.2 | 0 | 0 | 0 | 109.7 | ||||
| 19 | L | 30 | Very low | 29.1 | Very low | 129 Ų | 129 | 147.2 Ų | 147.2 | 68% | 0.675 | 80% | 0.804 | S | S | * | * | trans | -144.5 | 133.2 | -164.4 | -175 | 117.7 | 0 | 0 | 0 | 109.9 | Y21 | L19-Y21 HydrophobicContact CD2-CD2 3.84Å; L19-Y21 HydrophobicContact CD2-CE2 3.43Å; L19-Y21 VanDerWaalsContact CD2-CE2 3.43Å | ||
| 20 | S | 26.7 | Very low | 28.7 | Very low | 118 Ų | 118 | 152 Ų | 152 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -144.6 | 127.4 | 160.3 | 63.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 21 | Y | 29.6 | Very low | 28.4 | Very low | 181 Ų | 181 | 152 Ų | 152 | 71% | 0.71 | 80% | 0.802 | S | S | * | * | trans | -66.6 | 158.8 | 177.9 | -68.7 | -102.3 | 0 | 0 | 0 | 113.3 | L19 | L19-Y21 HydrophobicContact CD2-CD2 3.84Å; L19-Y21 HydrophobicContact CD2-CE2 3.43Å; L19-Y21 VanDerWaalsContact CD2-CE2 3.43Å | ||
| 22 | T | 26.5 | Very low | 28 | Very low | 145 Ų | 145 | 152 Ų | 152 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | -164.2 | 152 | 111.8 | 25 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 23 | W | 28.3 | Very low | 28.3 | Very low | 220 Ų | 220 | 149 Ų | 149 | 83% | 0.833 | 80% | 0.798 | S | S | * | * | trans | -91.7 | 158.3 | 179 | -68.8 | -17.6 | 0 | 0 | 0 | 112.8 | ||||
| 24 | D | 26 | Very low | 28.2 | Very low | 148 Ų | 148 | 144.3 Ų | 144.3 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | -174.8 | 117.4 | 120.5 | -88.8 | -22.7 | 0 | 0 | 0 | 108.4 | |||||
| 25 | V | 26.6 | Very low | 28 | Very low | 117 Ų | 117 | 146.8 Ų | 146.8 | 71% | 0.709 | 79% | 0.793 | S | S | * | * | 52.5 | 105.2 | 88.3 | -173 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 26 | T | 28 | Very low | 28 | Very low | 128 Ų | 128 | 151.1 Ų | 151.1 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | -159.4 | 142.9 | 79.5 | -56.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 27 | T | 27.5 | Very low | 28.1 | Very low | 120 Ų | 120 | 149.9 Ų | 149.9 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | -75.8 | 148.3 | 175.7 | 46.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 28 | S | 28.4 | Very low | 28.1 | Very low | 120 Ų | 120 | 149.7 Ų | 149.7 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | -152.4 | 127.9 | 137.2 | 155.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 29 | L | 28.3 | Very low | 28.4 | Very low | 143 Ų | 143 | 147.4 Ų | 147.4 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | -85.1 | 163.6 | 175.8 | -67 | 89 | 0 | 0 | 0 | 108.9 | ||||
| 30 | R | 23.9 | Very low | 28.2 | Very low | 215 Ų | 215 | 147.3 Ų | 147.3 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | 168.8 | 149 | 73.5 | -175.9 | 171.2 | -125.6 | -174.8 | 2 | 113.4 | |||||
| 31 | M | 25.7 | Very low | 28.3 | Very low | 160 Ų | 160 | 148.6 Ų | 148.6 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | trans | 74.7 | 112.3 | 158.2 | -101.1 | 54.6 | 173.7 | 0 | 0 | 122.2 | ||||
| 32 | K | 27.9 | Very low | 28.3 | Very low | 193 Ų | 193 | 149.5 Ų | 149.5 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -61.9 | 168.9 | 143.7 | -108.7 | 178.6 | 178.2 | 178.9 | 0 | 110.8 | ||||
| 33 | P | 36 | Very low | 28.3 | Very low | 116 Ų | 116 | 147 Ų | 147 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | cis | -147.5 | 178.3 | 44.2 | 40.9 | -18.9 | 0 | 0 | 0 | 119.3 | ||||
| 34 | T | 29.3 | Very low | 28.8 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | -20 | 140.1 | 171.5 | 39.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 35 | Q | 28.1 | Very low | 28.8 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | trans | -145.4 | 130.1 | 141.6 | -118.5 | 174 | 1.7 | 0 | 0 | 111.2 | ||||
| 36 | N | 30.1 | Very low | 29.1 | Very low | 163 Ų | 163 | 138.8 Ų | 138.8 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | trans | -84.2 | 124.8 | 166.7 | -70.9 | -12 | 0 | 0 | 0 | 108.2 | ||||
| 37 | I | 30.8 | Very low | 29.3 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | trans | -136.4 | 130.8 | 163.1 | -62.3 | -176.2 | 0 | 0 | 0 | 109.3 | ||||
| 38 | T | 27.4 | Very low | 29.5 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | trans | -74 | 152.9 | 178.2 | -8.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 39 | T | 30.4 | Very low | 29.9 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | trans | 50.3 | 112.2 | 156.3 | 54 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 40 | T | 26 | Very low | 30.3 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | -175.4 | 145.3 | 114.7 | 21 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 41 | N | 29.5 | Very low | 30.8 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 78% | 0.775 | 72% | 0.724 | S | S | * | * | trans | 57.6 | 75.1 | 152.2 | -52.7 | -11.8 | 0 | 0 | 0 | 117.8 | S43 | N41-S43 PolarHBondContact O-N 3.25Å; N41-S43 VanDerWaalsContact O-N 3.13Å | ||
| 42 | Q | 29.4 | Very low | 32 | Very low | 200 Ų | 200 | 126 Ų | 126 | 94% | 0.935 | 71% | 0.706 | S | S | * | * | trans | -66.5 | 102.8 | 141.8 | -90.6 | -178.6 | -24.9 | 0 | 0 | 107.7 | T44 | Q42-T44 PolarHBondContact O-N 3.5Š| ||
| 43 | S | 27.7 | Very low | 33.2 | Very low | 91 Ų | 91 | 119.1 Ų | 119.1 | 64% | 0.636 | 68% | 0.681 | S | S | * | * | trans | -65 | 131.8 | 171.4 | 43.4 | 0 | 0 | 0 | 0 | 110.1 | N41 N45 | N41-S43 PolarHBondContact O-N 3.25Å; N41-S43 VanDerWaalsContact O-N 3.13Å; S43-N45 PolarHBondContact O-N 3.15Å | ||
| 44 | T | 37.5 | Very low | 34.6 | Very low | 125 Ų | 125 | 114.3 Ų | 114.3 | 77% | 0.767 | 65% | 0.649 | S | S | * | * | trans | -61.6 | 88.3 | -178.5 | -38.8 | 0 | 0 | 0 | 0 | 111.2 | Q42 A46 | Q42-T44 PolarHBondContact O-N 3.5Å; T44-A46 PolarHBondContact O-N 3.48Å | ||
| 45 | N | 26.5 | Very low | 36.4 | Very low | 120 Ų | 120 | 109.2 Ų | 109.2 | 64% | 0.642 | 62% | 0.617 | S | S | * | * | trans | -77.4 | 73 | 172.1 | -81.1 | -54.2 | 0 | 0 | 0 | 110.1 | S43 F47 L48 | S43-N45 PolarHBondContact O-N 3.15Å; N45-F47 PolarHBondContact O-N 3.24Å; N45-L48 PolarHBondContact O-N 2.81Å | ||
| 46 | A | 32.1 | Very low | 38.7 | Very low | 68 Ų | 68 | 101.2 Ų | 101.2 | 56% | 0.562 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 15.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | T44 | T44-A46 PolarHBondContact O-N 3.48Š|
| 47 | F | 33.8 | Very low | 40.8 | Very low | 139 Ų | 139 | 95.2 Ų | 95.2 | 61% | 0.61 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.4 | 3.1 | -175.9 | -84.2 | -81.1 | 0 | 0 | 0 | 114.2 | N45 I49 | N45-F47 PolarHBondContact O-N 3.24Å; F47-I49 VanDerWaalsContact C-N 3.33Å; F47-I49 PolarHBondContact O-N 3.44Å |
| 48 | L | 29.9 | Very low | 43.1 | Very low | 149 Ų | 149 | 89.9 Ų | 89.9 | 78% | 0.78 | 52% | 0.522 | S | S | * | . | trans | -97.7 | 54.7 | 167.2 | -72.2 | 175.2 | 0 | 0 | 0 | 111 | N45 P50 | N45-L48 PolarHBondContact O-N 2.81Å; L48-P50 WeakPolarHBondContact O-CD 3.39Å | ||
| 49 | I | 38.4 | Very low | 45.4 | Very low | 95 Ų | 95 | 90.5 Ų | 90.5 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | trans | -86.2 | 109.3 | 161.7 | -58.3 | 175.9 | 0 | 0 | 0 | 106 | F47 A51 | F47-I49 VanDerWaalsContact C-N 3.33Å; F47-I49 PolarHBondContact O-N 3.44Å; I49-A51 PolarHBondContact O-N 3.42Å | ||
| 50 | P | 35.8 | Very low | 47.7 | Very low | 107 Ų | 107 | 86.7 Ų | 86.7 | 70% | 0.695 | 49% | 0.489 | S | S | * | . | trans | -57.7 | 131.5 | 165.4 | -13.7 | 28.7 | 0 | 0 | 0 | 106.5 | L48 T52 | L48-P50 WeakPolarHBondContact O-CD 3.39Å; P50-T52 VanDerWaalsContact C-N 3.31Å; P50-T52 PolarHBondContact O-N 3.21Å | ||
| 51 | A | 35.5 | Very low | 50.5 | Low | 63 Ų | 63 | 86.5 Ų | 86.5 | 52% | 0.521 | 48% | 0.483 | S | S | . | . | trans | -60.1 | 90 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I49 C213 | I49-A51 PolarHBondContact O-N 3.42Å; A51-C213 VanDerWaalsContact CB-SG 3.52Å | ||
| 52 | T | 49.3 | Very low | 53.2 | Low | 66 Ų | 66 | 83.3 Ų | 83.3 | 41% | 0.405 | 46% | 0.46 | S | S | . | . | trans | -70.4 | 135.4 | 177.8 | 43.9 | 0 | 0 | 0 | 0 | 107.9 | P50 M54 | P50-T52 VanDerWaalsContact C-N 3.31Å; P50-T52 PolarHBondContact O-N 3.21Å; T52-M54 PolarHBondContact O-N 3.39Å; T52-M54 PolarHBondContact OG1-O 3.1Å | ||
| 53 | P | 54.4 | Low | 55.9 | Low | 48 Ų | 48 | 80.2 Ų | 80.2 | 31% | 0.312 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -61.1 | -9.8 | 175 | 25.9 | -34.4 | 0 | 0 | 0 | 112.5 | L145 R221 | P53-L145 HydrophobicContact CB-CD1 4Å; P53-R221 PolarHBondContact O-NH2 3.42Å |
| 54 | M | 64.4 | Low | 58.7 | Low | 15 Ų | 15 | 79.1 Ų | 79.1 | 7% | 0.074 | 44% | 0.443 | C | S | . | . | trans | -104.6 | 113.9 | 175.6 | -54.9 | -178 | 70 | 0 | 0 | 109.8 | T52 V56 Y132 F148 W317 Q321 | T52-M54 PolarHBondContact O-N 3.39Å; T52-M54 PolarHBondContact OG1-O 3.1Å; M54-V56 PolarHBondContact O-N 3.47Å; M54-V56 VanDerWaalsContact O-N 3.15Å; M54-Y132 HydrophobicContact CE-CD1 3.37Å; M54-Y132 HydrophobicContact CE-CE1 3.84Å; M54-Y132 HydrophobicContact CE-CG 4.31Å; M54-Y132 HydrophobicContact SD-CD1 3.66Å; M54-Y132 HydrophobicContact SD-CG 4.28Å; M54-F148 HydrophobicContact CG-CE2 4.41Å; M54-W317 HydrophobicContact CE-CH2 4.2Å; M54-W317 HydrophobicContact CE-CZ2 3.37Å; M54-W317 HydrophobicContact SD-CZ2 4.03Å; M54-Q321 HydrophobicContact CE-CG 3.95Å | ||
| 55 | L | 67.3 | Low | 61.1 | Low | 16 Ų | 16 | 73.2 Ų | 73.2 | 8% | 0.084 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -60 | -13.2 | 170 | -93.3 | 65.5 | 0 | 0 | 0 | 114.1 | S217 L218 R221 A298 M299 A302 | L55-S217 WeakPolarHBondContact CD1-OG 3.31Å; L55-L218 HydrophobicContact CD2-CD2 4.15Å; L55-R221 HydrophobicContact CD1-CG 4.3Å; L55-R221 HydrophobicContact CD2-CB 4.43Å; L55-R221 HydrophobicContact CD2-CG 3.91Å; L55-A298 HydrophobicContact CB-CB 4.31Å; L55-M299 HydrophobicContact CD2-CG 3.92Å; L55-A302 HydrophobicContact CB-CB 4.02Å; L55-A302 HydrophobicContact CD2-CB 4.08Å; L55-A302 HydrophobicContact CG-CB 3.83Å |
| 56 | V | 76.2 | Confident | 64 | Low | 3 Ų | 3 | 69.5 Ų | 69.5 | 2% | 0.018 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -115.2 | 97.4 | 172.9 | -176.9 | 0 | 0 | 0 | 0 | 106.7 | M54 A298 F312 W317 F320 | M54-V56 PolarHBondContact O-N 3.47Å; M54-V56 VanDerWaalsContact O-N 3.15Å; V56-A298 HydrophobicContact CG2-CB 3.76Å; V56-F312 HydrophobicContact CG1-CD1 3.71Å; V56-F312 HydrophobicContact CG1-CD2 3.83Å; V56-F312 HydrophobicContact CG1-CE1 3.75Å; V56-F312 HydrophobicContact CG1-CE2 3.88Å; V56-F312 HydrophobicContact CG1-CG 3.73Å; V56-F312 HydrophobicContact CG1-CZ 3.83Å; V56-W317 PolarHBondContact O-NE1 3.49Å; V56-F320 HydrophobicContact CB-CE1 4.44Å; V56-F320 HydrophobicContact CG2-CD1 4.27Å; V56-F320 HydrophobicContact CG2-CE1 3.81Å; V56-F320 HydrophobicContact CG2-CZ 4.4Å |
| 57 | P | 75.3 | Confident | 66.7 | Low | 36 Ų | 36 | 70.3 Ų | 70.3 | 23% | 0.234 | 39% | 0.392 | C | S | . | . | trans | -67.9 | 154.2 | 175.3 | 29.5 | -33.7 | 0 | 0 | 0 | 110.3 | Y59 | P57-Y59 HydrophobicContact CG-CE2 3.82Š| ||
| 58 | L | 79.3 | Confident | 69.4 | Low | 35 Ų | 35 | 65.7 Ų | 65.7 | 18% | 0.183 | 38% | 0.38 | C | S | . | . | trans | -87.3 | 122.1 | 167 | -177.3 | 69.2 | 0 | 0 | 0 | 107.3 | T60 W62 A65 W69 W317 | L58-T60 VanDerWaalsContact C-N 3.3Å; L58-T60 WeakPolarHBondContact CD2-O 3.47Å; L58-T60 WeakPolarHBondContact CG-O 3.39Å; L58-W62 HydrophobicContact CD2-CD2 4Å; L58-W62 HydrophobicContact CD2-CE3 3.9Å; L58-W62 HydrophobicContact CD2-CZ3 4.17Å; L58-A65 HydrophobicContact CD2-CB 3.9Å; L58-W69 HydrophobicContact CD1-CH2 4.3Å; L58-W69 HydrophobicContact CD1-CZ2 4.27Å; L58-W69 HydrophobicContact CD2-CH2 4.17Å; L58-W317 HydrophobicContact CD1-CB 3.89Å; L58-W317 HydrophobicContact CD1-CD2 3.87Å; L58-W317 HydrophobicContact CD1-CE3 4.29Å; L58-W317 HydrophobicContact CD1-CG 3.68Å | ||
| 59 | Y | 74.6 | Confident | 72.4 | Confident | 131 Ų | 131 | 59 Ų | 59 | 51% | 0.514 | 34% | 0.344 | S | S | . | . | trans | -85.4 | -2.3 | -176.6 | -71.1 | -93.3 | 0 | 0 | 0 | 113.6 | P57 F312 | P57-Y59 HydrophobicContact CG-CE2 3.82Å; Y59-F312 HydrophobicContact CD2-CB 3.94Å; Y59-F312 HydrophobicContact CE2-CB 4.24Å; Y59-F312 HydrophobicContact CE2-CD2 4.5Å | ||
| 60 | T | 79.8 | Confident | 74.9 | Confident | 41 Ų | 41 | 56.2 Ų | 56.2 | 25% | 0.252 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -117.4 | 145.7 | -179.4 | 55.2 | 0 | 0 | 0 | 0 | 111 | L58 W62 P314 | L58-T60 VanDerWaalsContact C-N 3.3Å; L58-T60 WeakPolarHBondContact CD2-O 3.47Å; L58-T60 WeakPolarHBondContact CG-O 3.39Å; T60-W62 PolarHBondContact O-N 3.02Å; T60-P314 HydrophobicContact CG2-CG 4.02Å |
| 61 | D | 84.5 | Confident | 77.5 | Confident | 124 Ų | 124 | 58.4 Ų | 58.4 | 66% | 0.663 | 34% | 0.344 | S | S | * | . | trans | -52.9 | 138.6 | 173.9 | -64.1 | -39.1 | 0 | 0 | 0 | 112.2 | N63 S64 A65 | D61-N63 PolarHBondContact O-N 3.17Å; D61-S64 PolarHBondContact O-N 3.06Å; D61-A65 PolarHBondContact O-N 3.14Å | ||
| 62 | W | 84.7 | Confident | 80.3 | Confident | 77 Ų | 77 | 56.7 Ų | 56.7 | 29% | 0.292 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -53.7 | -39.5 | -179.8 | -78.8 | 110.5 | 0 | 0 | 0 | 112.9 | L58 T60 S64 A65 M66 W69 W73 H134 W317 | L58-W62 HydrophobicContact CD2-CD2 4Å; L58-W62 HydrophobicContact CD2-CE3 3.9Å; L58-W62 HydrophobicContact CD2-CZ3 4.17Å; T60-W62 PolarHBondContact O-N 3.02Å; W62-S64 PolarHBondContact O-N 2.95Å; W62-A65 PolarHBondContact O-N 3Å; W62-M66 VanDerWaalsContact O-CB 3.22Å; W62-M66 WeakPolarHBondContact O-CB 3.48Å; W62-M66 WeakPolarHBondContact O-CG 3.31Å; W62-M66 PolarHBondContact O-N 2.78Å; W62-W69 HydrophobicContact CE3-CZ3 4.3Å; W62-W69 HydrophobicContact CZ3-CH2 4.23Å; W62-W69 HydrophobicContact CZ3-CZ3 4.07Å; W62-W73 HydrophobicContact CH2-CH2 4.21Å; W62-W73 AromaticContact CZ3-CH2 3.75Å; W62-W73 HydrophobicContact CZ3-CH2 3.75Å; W62-W73 HydrophobicContact CZ3-CZ2 4.44Å; W62-W73 HydrophobicContact CZ3-CZ3 4.13Å; W62-H134 AromaticContact CD2-CD2 3.86Å; W62-H134 HydrophobicContact CE3-CB 4.49Å; W62-H134 AromaticContact CE3-CD2 3.49Å; W62-H134 VanDerWaalsContact CE3-CD2 3.49Å; W62-H134 HydrophobicContact CH2-CB 4.48Å; W62-H134 HydrophobicContact CZ3-CB 4.45Å; W62-W317 AromaticContact CH2-CH2 3.76Å; W62-W317 HydrophobicContact CH2-CH2 3.76Å; W62-W317 HydrophobicContact CH2-CZ2 4.12Å; W62-W317 HydrophobicContact CZ3-CH2 4.08Å |
| 63 | N | 87.2 | Confident | 82.3 | Confident | 135 Ų | 135 | 54.1 Ų | 54.1 | 72% | 0.722 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.9 | -43.3 | 177.5 | -64.9 | -32.3 | 0 | 0 | 0 | 112.1 | D61 A67 | D61-N63 PolarHBondContact O-N 3.17Å; N63-A67 WeakPolarHBondContact O-CB 3.36Å; N63-A67 PolarHBondContact O-N 3.41Å |
| 64 | S | 87.4 | Confident | 84 | Confident | 69 Ų | 69 | 55.2 Ų | 55.2 | 48% | 0.483 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -71.1 | -38.5 | 179 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | D61 W62 A68 | D61-S64 PolarHBondContact O-N 3.06Å; W62-S64 PolarHBondContact O-N 2.95Å; S64-A68 WeakPolarHBondContact O-CB 3.47Å; S64-A68 PolarHBondContact O-N 3Å |
| 65 | A | 87.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.5 | -43.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L58 D61 W62 A67 A68 W69 P314 | L58-A65 HydrophobicContact CD2-CB 3.9Å; D61-A65 PolarHBondContact O-N 3.14Å; W62-A65 PolarHBondContact O-N 3Å; A65-A67 PolarHBondContact O-N 3.34Å; A65-A68 WeakPolarHBondContact O-CB 3.29Å; A65-A68 PolarHBondContact O-N 3.22Å; A65-A68 VanDerWaalsContact O-N 3.13Å; A65-W69 HydrophobicContact CB-CE3 4.3Å; A65-W69 HydrophobicContact CB-CH2 3.65Å; A65-W69 HydrophobicContact CB-CZ2 3.87Å; A65-W69 HydrophobicContact CB-CZ3 3.88Å; A65-W69 VanDerWaalsContact O-CG 3.31Å; A65-W69 PolarHBondContact O-N 3.01Å; A65-P314 HydrophobicContact CB-CB 4.18Å; A65-P314 HydrophobicContact CB-CG 4.31Å |
| 66 | M | 87.4 | Confident | 86.6 | Confident | 42 Ų | 42 | 57 Ų | 57 | 21% | 0.207 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61 | -42 | 173.8 | -78.6 | -63 | -60.8 | 0 | 0 | 112.3 | W62 A68 W69 G70 W73 | W62-M66 VanDerWaalsContact O-CB 3.22Å; W62-M66 WeakPolarHBondContact O-CB 3.48Å; W62-M66 WeakPolarHBondContact O-CG 3.31Å; W62-M66 PolarHBondContact O-N 2.78Å; M66-A68 VanDerWaalsContact C-N 3.3Å; M66-A68 PolarHBondContact O-N 3.17Å; M66-W69 PolarHBondContact O-N 3.38Å; M66-W69 HydrophobicContact SD-CE3 4.11Å; M66-W69 HydrophobicContact SD-CZ3 4.42Å; M66-G70 PolarHBondContact O-N 3.44Å; M66-W73 HydrophobicContact CE-CB 4.21Å; M66-W73 VanDerWaalsContact CE-CD1 3.41Å; M66-W73 HydrophobicContact CE-CG 3.85Å; M66-W73 HydrophobicContact SD-CB 3.94Å; M66-W73 HydrophobicContact SD-CD2 3.69Å; M66-W73 HydrophobicContact SD-CG 3.4Å |
| 67 | A | 88.4 | Confident | 87.4 | Confident | 85 Ų | 85 | 57.2 Ų | 57.2 | 70% | 0.702 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.8 | -36.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N63 A65 | N63-A67 WeakPolarHBondContact O-CB 3.36Å; N63-A67 PolarHBondContact O-N 3.41Å; A65-A67 PolarHBondContact O-N 3.34Å |
| 68 | A | 90.6 | Very high | 88.3 | Confident | 42 Ų | 42 | 62.3 Ų | 62.3 | 35% | 0.347 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -73.1 | -35.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S64 A65 M66 P314 W315 | S64-A68 WeakPolarHBondContact O-CB 3.47Å; S64-A68 PolarHBondContact O-N 3Å; A65-A68 WeakPolarHBondContact O-CB 3.29Å; A65-A68 PolarHBondContact O-N 3.22Å; A65-A68 VanDerWaalsContact O-N 3.13Å; M66-A68 VanDerWaalsContact C-N 3.3Å; M66-A68 PolarHBondContact O-N 3.17Å; A68-P314 HydrophobicContact CB-CB 4.19Å; A68-P314 HydrophobicContact CB-CG 4.44Å; A68-W315 WeakPolarHBondContact O-CZ2 3.32Å |
| 69 | W | 92.3 | Very high | 89 | Confident | 9 Ų | 9 | 62.3 Ų | 62.3 | 3% | 0.034 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -83.5 | -36.9 | 178.9 | -58.9 | -38 | 0 | 0 | 0 | 113.4 | L58 W62 A65 M66 L71 A72 W73 P314 W317 W318 | L58-W69 HydrophobicContact CD1-CH2 4.3Å; L58-W69 HydrophobicContact CD1-CZ2 4.27Å; L58-W69 HydrophobicContact CD2-CH2 4.17Å; W62-W69 HydrophobicContact CE3-CZ3 4.3Å; W62-W69 HydrophobicContact CZ3-CH2 4.23Å; W62-W69 HydrophobicContact CZ3-CZ3 4.07Å; A65-W69 HydrophobicContact CB-CE3 4.3Å; A65-W69 HydrophobicContact CB-CH2 3.65Å; A65-W69 HydrophobicContact CB-CZ2 3.87Å; A65-W69 HydrophobicContact CB-CZ3 3.88Å; A65-W69 VanDerWaalsContact O-CG 3.31Å; A65-W69 PolarHBondContact O-N 3.01Å; M66-W69 PolarHBondContact O-N 3.38Å; M66-W69 HydrophobicContact SD-CE3 4.11Å; M66-W69 HydrophobicContact SD-CZ3 4.42Å; W69-L71 PolarHBondContact O-N 3.41Å; W69-A72 HydrophobicContact CB-CB 4.44Å; W69-A72 VanDerWaalsContact O-CB 3.28Å; W69-A72 WeakPolarHBondContact O-CB 3.42Å; W69-A72 PolarHBondContact O-N 3.38Å; W69-W73 HydrophobicContact CB-CB 4.11Å; W69-W73 HydrophobicContact CE3-CB 4.21Å; W69-W73 HydrophobicContact CE3-CD2 4.13Å; W69-W73 AromaticContact CE3-CE3 3.61Å; W69-W73 HydrophobicContact CE3-CE3 3.61Å; W69-W73 HydrophobicContact CE3-CG 4.42Å; W69-W73 HydrophobicContact CE3-CZ3 4.29Å; W69-W73 HydrophobicContact CH2-CE3 4.47Å; W69-W73 HydrophobicContact CH2-CZ3 4.39Å; W69-W73 HydrophobicContact CZ3-CD2 4.29Å; W69-W73 AromaticContact CZ3-CE3 3.55Å; W69-W73 HydrophobicContact CZ3-CE3 3.55Å; W69-W73 AromaticContact CZ3-CZ3 3.76Å; W69-W73 HydrophobicContact CZ3-CZ3 3.76Å; W69-P314 HydrophobicContact CZ2-CB 4.1Å; W69-P314 WeakPolarHBondContact CZ2-O 3.39Å; W69-P314 PolarHBondContact NE1-O 3.27Å; W69-W317 AromaticContact CH2-CE3 3.51Å; W69-W317 HydrophobicContact CH2-CE3 3.51Å; W69-W317 HydrophobicContact CH2-CH2 4.34Å; W69-W317 AromaticContact CH2-CZ3 3.41Å; W69-W317 HydrophobicContact CH2-CZ3 3.41Å; W69-W317 VanDerWaalsContact CH2-CZ3 3.41Å; W69-W317 AromaticContact CZ2-CE3 3.53Å; W69-W317 HydrophobicContact CZ2-CE3 3.53Å; W69-W317 AromaticContact CZ2-CZ3 3.89Å; W69-W317 HydrophobicContact CZ2-CZ3 3.89Å; W69-W317 HydrophobicContact CZ3-CZ3 4.19Å; W69-W318 HydrophobicContact CD2-CB 4.47Å; W69-W318 HydrophobicContact CZ2-CB 4.07Å |
| 70 | G | 90.4 | Very high | 89.9 | Confident | 37 Ų | 37 | 56.5 Ų | 56.5 | 38% | 0.381 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | -124.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112 | M66 A72 W73 | M66-G70 PolarHBondContact O-N 3.44Å; G70-A72 PolarHBondContact O-N 3.03Å; G70-A72 VanDerWaalsContact O-N 3.13Å; G70-W73 PolarHBondContact O-N 3.2Å |
| 71 | L | 91.5 | Very high | 90.6 | Very high | 153 Ų | 153 | 54.6 Ų | 54.6 | 80% | 0.801 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.9 | -21 | -179.9 | -60.7 | 177.9 | 0 | 0 | 0 | 114.4 | W69 W73 E74 A75 | W69-L71 PolarHBondContact O-N 3.41Å; L71-W73 VanDerWaalsContact C-N 3.26Å; L71-W73 PolarHBondContact O-N 3.1Å; L71-E74 PolarHBondContact O-N 3.02Å; L71-A75 VanDerWaalsContact O-CB 3.29Å; L71-A75 WeakPolarHBondContact O-CB 3.28Å; L71-A75 PolarHBondContact O-N 3.2Å |
| 72 | A | 92.8 | Very high | 91.1 | Very high | 26 Ų | 26 | 50.3 Ų | 50.3 | 22% | 0.215 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.8 | -26.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | W69 G70 H76 W315 W318 | W69-A72 HydrophobicContact CB-CB 4.44Å; W69-A72 VanDerWaalsContact O-CB 3.28Å; W69-A72 WeakPolarHBondContact O-CB 3.42Å; W69-A72 PolarHBondContact O-N 3.38Å; G70-A72 PolarHBondContact O-N 3.03Å; G70-A72 VanDerWaalsContact O-N 3.13Å; A72-H76 WeakPolarHBondContact O-CB 3.39Å; A72-H76 PolarHBondContact O-N 2.96Å; A72-H76 VanDerWaalsContact O-N 3.16Å; A72-W315 HydrophobicContact CB-CH2 4.03Å; A72-W315 HydrophobicContact CB-CZ3 4.19Å; A72-W318 HydrophobicContact CB-CZ2 4.22Å; A72-W318 PolarHBondContact O-NE1 3.5Å |
| 73 | W | 91.3 | Very high | 91.7 | Very high | 12 Ų | 12 | 50.5 Ų | 50.5 | 5% | 0.045 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.3 | -53.6 | 172.1 | 174.4 | -101.1 | 0 | 0 | 0 | 111.2 | W62 M66 W69 G70 L71 A75 H76 V77 A131 Y132 W317 | W62-W73 HydrophobicContact CH2-CH2 4.21Å; W62-W73 AromaticContact CZ3-CH2 3.75Å; W62-W73 HydrophobicContact CZ3-CH2 3.75Å; W62-W73 HydrophobicContact CZ3-CZ2 4.44Å; W62-W73 HydrophobicContact CZ3-CZ3 4.13Å; M66-W73 HydrophobicContact CE-CB 4.21Å; M66-W73 VanDerWaalsContact CE-CD1 3.41Å; M66-W73 HydrophobicContact CE-CG 3.85Å; M66-W73 HydrophobicContact SD-CB 3.94Å; M66-W73 HydrophobicContact SD-CD2 3.69Å; M66-W73 HydrophobicContact SD-CG 3.4Å; W69-W73 HydrophobicContact CB-CB 4.11Å; W69-W73 HydrophobicContact CE3-CB 4.21Å; W69-W73 HydrophobicContact CE3-CD2 4.13Å; W69-W73 AromaticContact CE3-CE3 3.61Å; W69-W73 HydrophobicContact CE3-CE3 3.61Å; W69-W73 HydrophobicContact CE3-CG 4.42Å; W69-W73 HydrophobicContact CE3-CZ3 4.29Å; W69-W73 HydrophobicContact CH2-CE3 4.47Å; W69-W73 HydrophobicContact CH2-CZ3 4.39Å; W69-W73 HydrophobicContact CZ3-CD2 4.29Å; W69-W73 AromaticContact CZ3-CE3 3.55Å; W69-W73 HydrophobicContact CZ3-CE3 3.55Å; W69-W73 AromaticContact CZ3-CZ3 3.76Å; W69-W73 HydrophobicContact CZ3-CZ3 3.76Å; G70-W73 PolarHBondContact O-N 3.2Å; L71-W73 VanDerWaalsContact C-N 3.26Å; L71-W73 PolarHBondContact O-N 3.1Å; W73-A75 VanDerWaalsContact C-N 3.31Å; W73-A75 PolarHBondContact O-N 2.95Å; W73-H76 WeakPolarHBondContact O-CB 3.22Å; W73-H76 PolarHBondContact O-N 3.01Å; W73-H76 VanDerWaalsContact O-N 3.07Å; W73-V77 HydrophobicContact CD2-CG2 3.91Å; W73-V77 HydrophobicContact CE3-CG2 4.33Å; W73-V77 HydrophobicContact CG-CG2 4.4Å; W73-V77 HydrophobicContact CH2-CG2 4.32Å; W73-V77 HydrophobicContact CZ2-CG2 3.86Å; W73-V77 WeakPolarHBondContact O-CG2 3.09Å; W73-V77 PolarHBondContact O-N 3.35Å; W73-A131 HydrophobicContact CH2-CB 4.26Å; W73-A131 HydrophobicContact CZ2-CB 3.78Å; W73-Y132 AromaticContact CH2-CD2 3.64Å; W73-Y132 HydrophobicContact CH2-CD2 3.64Å; W73-Y132 HydrophobicContact CH2-CE2 4.4Å; W73-Y132 HydrophobicContact CH2-CG 4.45Å; W73-Y132 HydrophobicContact CZ3-CD2 4.05Å; W73-Y132 HydrophobicContact CZ3-CE2 4.44Å; W73-W317 HydrophobicContact CZ3-CH2 4.22Å; W73-W317 AromaticContact CZ3-CZ3 3.97Å; W73-W317 HydrophobicContact CZ3-CZ3 3.97Å |
| 74 | E | 91.8 | Very high | 92.1 | Very high | 72 Ų | 72 | 44.2 Ų | 44.2 | 34% | 0.336 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.7 | -39.3 | -178.5 | -54.6 | -56.2 | 161.8 | 0 | 0 | 111.8 | L71 H76 V77 Y78 | L71-E74 PolarHBondContact O-N 3.02Å; E74-H76 VanDerWaalsContact C-N 3.33Å; E74-H76 PolarHBondContact O-N 3.38Å; E74-V77 PolarHBondContact O-N 3.04Å; E74-Y78 HydrophobicContact CB-CD2 4.19Å; E74-Y78 WeakPolarHBondContact O-CB 3.4Å; E74-Y78 PolarHBondContact O-N 3.21Å; E74-Y78 WeakPolarHBondContact OE2-CE2 3.41Å |
| 75 | A | 92.3 | Very high | 92.6 | Very high | 66 Ų | 66 | 42.4 Ų | 42.4 | 55% | 0.545 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.3 | -36.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L71 W73 G79 | L71-A75 VanDerWaalsContact O-CB 3.29Å; L71-A75 WeakPolarHBondContact O-CB 3.28Å; L71-A75 PolarHBondContact O-N 3.2Å; W73-A75 VanDerWaalsContact C-N 3.31Å; W73-A75 PolarHBondContact O-N 2.95Å; A75-G79 WeakPolarHBondContact O-CA 3.29Å; A75-G79 PolarHBondContact O-N 3.47Å |
| 76 | H | 92.6 | Very high | 93 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 1% | 0.014 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.8 | -53 | 173.4 | 169.9 | 54.8 | 0 | 0 | 0 | 111.5 | A72 W73 E74 A80 Y132 W318 F322 | A72-H76 WeakPolarHBondContact O-CB 3.39Å; A72-H76 PolarHBondContact O-N 2.96Å; A72-H76 VanDerWaalsContact O-N 3.16Å; W73-H76 WeakPolarHBondContact O-CB 3.22Å; W73-H76 PolarHBondContact O-N 3.01Å; W73-H76 VanDerWaalsContact O-N 3.07Å; E74-H76 VanDerWaalsContact C-N 3.33Å; E74-H76 PolarHBondContact O-N 3.38Å; H76-A80 WeakPolarHBondContact O-CB 3.17Å; H76-A80 PolarHBondContact O-N 3.04Å; H76-Y132 PolarHBondContact CE1-OH 2.97Å; H76-Y132 AromaticContact NE2-CE2 3.44Å; H76-Y132 WeakPolarHBondContact NE2-CE2 3.48Å; H76-Y132 AromaticContact NE2-CZ 3.57Å; H76-Y132 PolarHBondContact NE2-OH 2.8Å; H76-W318 HydrophobicContact CB-CZ2 4.06Å; H76-F322 AromaticContact ND1-CD2 3.49Å; H76-F322 WeakPolarHBondContact ND1-CD2 3.48Å |
| 77 | V | 92.8 | Very high | 93.5 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 4% | 0.036 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.6 | -56.4 | -174.5 | 173 | 0 | 0 | 0 | 0 | 111.6 | W73 E74 G81 L127 A131 | W73-V77 HydrophobicContact CD2-CG2 3.91Å; W73-V77 HydrophobicContact CE3-CG2 4.33Å; W73-V77 HydrophobicContact CG-CG2 4.4Å; W73-V77 HydrophobicContact CH2-CG2 4.32Å; W73-V77 HydrophobicContact CZ2-CG2 3.86Å; W73-V77 WeakPolarHBondContact O-CG2 3.09Å; W73-V77 PolarHBondContact O-N 3.35Å; E74-V77 PolarHBondContact O-N 3.04Å; V77-G81 WeakPolarHBondContact O-CA 3.49Å; V77-G81 PolarHBondContact O-N 3.2Å; V77-L127 VanDerWaalsContact CG1-O 3.28Å; V77-L127 WeakPolarHBondContact CG1-O 3.45Å; V77-A131 HydrophobicContact CB-CB 4.45Å; V77-A131 HydrophobicContact CG1-CB 3.8Å; V77-A131 HydrophobicContact CG2-CB 3.71Å |
| 78 | Y | 94.3 | Very high | 93.8 | Very high | 143 Ų | 143 | 40.8 Ų | 40.8 | 56% | 0.561 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -76.3 | -33.6 | -179.2 | -64.7 | -59.1 | 0 | 0 | 0 | 112.5 | E74 G82 L128 | E74-Y78 HydrophobicContact CB-CD2 4.19Å; E74-Y78 WeakPolarHBondContact O-CB 3.4Å; E74-Y78 PolarHBondContact O-N 3.21Å; E74-Y78 WeakPolarHBondContact OE2-CE2 3.41Å; Y78-G82 WeakPolarHBondContact O-CA 3.44Å; Y78-G82 PolarHBondContact O-N 3.38Å; Y78-L128 HydrophobicContact CD1-CD2 3.7Å; Y78-L128 HydrophobicContact CE1-CD2 4.29Å |
| 79 | G | 94.3 | Very high | 94.1 | Very high | 35 Ų | 35 | 44.4 Ų | 44.4 | 36% | 0.361 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66 | -56.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | A75 G82 V83 | A75-G79 WeakPolarHBondContact O-CA 3.29Å; A75-G79 PolarHBondContact O-N 3.47Å; G79-G82 PolarHBondContact O-N 3.48Å; G79-V83 WeakPolarHBondContact O-CG2 3.22Å; G79-V83 PolarHBondContact O-N 3.36Å |
| 80 | A | 93.1 | Very high | 94.2 | Very high | 10 Ų | 10 | 45.9 Ų | 45.9 | 8% | 0.083 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.2 | -42.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | H76 G82 V83 F84 L127 | H76-A80 WeakPolarHBondContact O-CB 3.17Å; H76-A80 PolarHBondContact O-N 3.04Å; A80-G82 VanDerWaalsContact C-N 3.31Å; A80-G82 PolarHBondContact O-N 2.84Å; A80-V83 PolarHBondContact O-N 3.34Å; A80-F84 WeakPolarHBondContact O-CD2 3.36Å; A80-F84 PolarHBondContact O-N 3.37Å; A80-L127 HydrophobicContact CB-CD1 4.04Å |
| 81 | G | 95 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.9 | -39.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V77 A85 S124 | V77-G81 WeakPolarHBondContact O-CA 3.49Å; V77-G81 PolarHBondContact O-N 3.2Å; G81-A85 WeakPolarHBondContact O-CB 3.35Å; G81-A85 PolarHBondContact O-N 3.49Å; G81-S124 PolarHBondContact O-OG 2.91Å |
| 82 | G | 96.1 | Very high | 94.6 | Very high | 35 Ų | 35 | 38.8 Ų | 38.8 | 36% | 0.361 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.9 | -40.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y78 G79 A80 A85 A86 | Y78-G82 WeakPolarHBondContact O-CA 3.44Å; Y78-G82 PolarHBondContact O-N 3.38Å; G79-G82 PolarHBondContact O-N 3.48Å; A80-G82 VanDerWaalsContact C-N 3.31Å; A80-G82 PolarHBondContact O-N 2.84Å; G82-A85 WeakPolarHBondContact O-CB 3.38Å; G82-A85 PolarHBondContact O-N 3.39Å; G82-A86 PolarHBondContact O-N 3.33Å |
| 83 | V | 96.6 | Very high | 94.5 | Very high | 81 Ų | 81 | 42.1 Ų | 42.1 | 49% | 0.491 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 173.6 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | G79 A80 A85 A86 L87 L329 | G79-V83 WeakPolarHBondContact O-CG2 3.22Å; G79-V83 PolarHBondContact O-N 3.36Å; A80-V83 PolarHBondContact O-N 3.34Å; V83-A85 VanDerWaalsContact C-N 3.32Å; V83-A85 PolarHBondContact O-N 3.4Å; V83-A86 PolarHBondContact O-N 3.38Å; V83-L87 WeakPolarHBondContact O-CB 3.4Å; V83-L87 PolarHBondContact O-N 3.19Å; V83-L329 HydrophobicContact CB-CD1 4.38Å; V83-L329 HydrophobicContact CB-CD2 4.3Å; V83-L329 HydrophobicContact CG1-CD1 4.19Å; V83-L329 HydrophobicContact CG1-CD2 3.75Å |
| 84 | F | 96.7 | Very high | 94.5 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 1% | 0.013 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.4 | -35.7 | 171.1 | -81.2 | -66.7 | 0 | 0 | 0 | 112.3 | A80 L87 T88 A120 R123 L127 R325 E328 L329 | A80-F84 WeakPolarHBondContact O-CD2 3.36Å; A80-F84 PolarHBondContact O-N 3.37Å; F84-L87 PolarHBondContact O-N 3.23Å; F84-T88 WeakPolarHBondContact O-CB 3.28Å; F84-T88 PolarHBondContact O-N 3.13Å; F84-T88 PolarHBondContact O-OG1 3.44Å; F84-A120 HydrophobicContact CD1-CB 4.3Å; F84-R123 HydrophobicContact CD1-CB 3.88Å; F84-R123 HydrophobicContact CD2-CB 3.94Å; F84-R123 HydrophobicContact CE1-CB 3.91Å; F84-R123 HydrophobicContact CE1-CG 4.12Å; F84-R123 HydrophobicContact CE2-CB 3.99Å; F84-R123 HydrophobicContact CE2-CG 4.4Å; F84-R123 HydrophobicContact CG-CB 3.9Å; F84-R123 HydrophobicContact CZ-CB 3.97Å; F84-R123 HydrophobicContact CZ-CG 4.03Å; F84-L127 HydrophobicContact CD2-CD1 3.97Å; F84-L127 HydrophobicContact CE2-CD1 4.23Å; F84-R325 HydrophobicContact CE2-CB 4.45Å; F84-E328 HydrophobicContact CZ-CB 4.16Å; F84-L329 HydrophobicContact CD1-CD2 3.54Å; F84-L329 HydrophobicContact CD1-CG 4.4Å; F84-L329 HydrophobicContact CD2-CD2 3.82Å; F84-L329 HydrophobicContact CD2-CG 4.18Å; F84-L329 HydrophobicContact CE1-CD2 3.52Å; F84-L329 HydrophobicContact CE1-CG 3.95Å; F84-L329 HydrophobicContact CE2-CD1 4.21Å; F84-L329 HydrophobicContact CE2-CD2 3.78Å; F84-L329 HydrophobicContact CE2-CG 3.69Å; F84-L329 HydrophobicContact CG-CD2 3.69Å; F84-L329 HydrophobicContact CZ-CD2 3.64Å; F84-L329 HydrophobicContact CZ-CG 3.57Å |
| 85 | A | 96.9 | Very high | 94.5 | Very high | 31 Ų | 31 | 41 Ų | 41 | 26% | 0.256 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.8 | -46.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | G81 G82 V83 L87 T88 L89 S124 | G81-A85 WeakPolarHBondContact O-CB 3.35Å; G81-A85 PolarHBondContact O-N 3.49Å; G82-A85 WeakPolarHBondContact O-CB 3.38Å; G82-A85 PolarHBondContact O-N 3.39Å; V83-A85 VanDerWaalsContact C-N 3.32Å; V83-A85 PolarHBondContact O-N 3.4Å; A85-L87 VanDerWaalsContact C-N 3.3Å; A85-L87 PolarHBondContact O-N 3.19Å; A85-T88 VanDerWaalsContact O-CB 3.31Å; A85-T88 WeakPolarHBondContact O-CB 3.45Å; A85-T88 PolarHBondContact O-N 3.49Å; A85-T88 VanDerWaalsContact O-N 3.13Å; A85-L89 PolarHBondContact O-N 2.94Å; A85-S124 WeakPolarHBondContact CB-OG 3.16Å; A85-S124 PolarHBondContact N-OG 2.95Å |
| 86 | A | 96.9 | Very high | 94.3 | Very high | 58 Ų | 58 | 43.7 Ų | 43.7 | 48% | 0.479 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.3 | -39.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | G82 V83 L89 A90 | G82-A86 PolarHBondContact O-N 3.33Å; V83-A86 PolarHBondContact O-N 3.38Å; A86-L89 PolarHBondContact O-N 3.13Å; A86-A90 WeakPolarHBondContact O-CB 3.17Å; A86-A90 PolarHBondContact O-N 3.02Å |
| 87 | L | 96.2 | Very high | 94 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 5% | 0.052 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69 | -34.1 | 174.7 | -172.9 | 67.3 | 0 | 0 | 0 | 113 | V83 F84 A85 A90 S91 A120 C332 L333 A336 | V83-L87 WeakPolarHBondContact O-CB 3.4Å; V83-L87 PolarHBondContact O-N 3.19Å; F84-L87 PolarHBondContact O-N 3.23Å; A85-L87 VanDerWaalsContact C-N 3.3Å; A85-L87 PolarHBondContact O-N 3.19Å; L87-A90 PolarHBondContact O-N 2.91Å; L87-S91 WeakPolarHBondContact O-CB 3.46Å; L87-S91 PolarHBondContact O-N 3.46Å; L87-S91 PolarHBondContact O-OG 2.97Å; L87-A120 HydrophobicContact CB-CB 4.4Å; L87-A120 HydrophobicContact CD2-CB 4.19Å; L87-A120 HydrophobicContact CG-CB 4.3Å; L87-C332 HydrophobicContact CD2-CB 3.36Å; L87-C332 WeakPolarHBondContact CD2-SG 3.33Å; L87-L333 HydrophobicContact CD1-CD1 4.49Å; L87-A336 HydrophobicContact CD1-CB 3.66Å |
| 88 | T | 96.4 | Very high | 93.5 | Very high | 24 Ų | 24 | 44.9 Ų | 44.9 | 15% | 0.147 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 172.7 | -57.3 | 0 | 0 | 0 | 0 | 109.7 | F84 A85 S91 A92 L117 A120 C121 | F84-T88 WeakPolarHBondContact O-CB 3.28Å; F84-T88 PolarHBondContact O-N 3.13Å; F84-T88 PolarHBondContact O-OG1 3.44Å; A85-T88 VanDerWaalsContact O-CB 3.31Å; A85-T88 WeakPolarHBondContact O-CB 3.45Å; A85-T88 PolarHBondContact O-N 3.49Å; A85-T88 VanDerWaalsContact O-N 3.13Å; T88-S91 PolarHBondContact O-N 2.99Å; T88-A92 WeakPolarHBondContact O-CB 3.45Å; T88-A92 PolarHBondContact O-N 3.37Å; T88-L117 HydrophobicContact CG2-CD1 3.59Å; T88-L117 VanDerWaalsContact O-CD1 3.23Å; T88-L117 WeakPolarHBondContact O-CD1 3.46Å; T88-A120 VanDerWaalsContact OG1-CB 3.29Å; T88-A120 WeakPolarHBondContact OG1-CB 3.41Å; T88-A120 PolarHBondContact OG1-O 3.45Å; T88-C121 HydrophobicContact CG2-CB 3.89Å; T88-C121 PolarHBondContact OG1-N 2.88Å |
| 89 | L | 96.3 | Very high | 92.7 | Very high | 119 Ų | 119 | 40.4 Ų | 40.4 | 62% | 0.623 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -60.8 | -46.8 | 174 | -67.5 | 169.7 | 0 | 0 | 0 | 111.9 | A85 A86 S91 A92 L93 | A85-L89 PolarHBondContact O-N 2.94Å; A86-L89 PolarHBondContact O-N 3.13Å; L89-S91 VanDerWaalsContact C-N 3.3Å; L89-S91 PolarHBondContact O-N 3.06Å; L89-A92 PolarHBondContact O-N 3.16Å; L89-L93 WeakPolarHBondContact O-CB 3.49Å; L89-L93 VanDerWaalsContact O-CG 3.32Å; L89-L93 WeakPolarHBondContact O-CG 3.28Å; L89-L93 PolarHBondContact O-N 3.4Å |
| 90 | A | 94.3 | Very high | 91.6 | Very high | 39 Ų | 39 | 43.7 Ų | 43.7 | 32% | 0.322 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.8 | -38 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A86 L87 L93 N94 | A86-A90 WeakPolarHBondContact O-CB 3.17Å; A86-A90 PolarHBondContact O-N 3.02Å; L87-A90 PolarHBondContact O-N 2.91Å; A90-L93 PolarHBondContact O-N 3.39Å; A90-N94 WeakPolarHBondContact O-CB 3.4Å; A90-N94 PolarHBondContact O-N 3.35Å; A90-N94 PolarHBondContact O-ND2 3.46Å |
| 91 | S | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.4 | -37.3 | 176.9 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | L87 T88 L89 L95 | L87-S91 WeakPolarHBondContact O-CB 3.46Å; L87-S91 PolarHBondContact O-N 3.46Å; L87-S91 PolarHBondContact O-OG 2.97Å; T88-S91 PolarHBondContact O-N 2.99Å; L89-S91 VanDerWaalsContact C-N 3.3Å; L89-S91 PolarHBondContact O-N 3.06Å; S91-L95 PolarHBondContact O-N 3.47Å |
| 92 | A | 95.1 | Very high | 89.3 | Confident | 41 Ų | 41 | 49.8 Ų | 49.8 | 34% | 0.339 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.8 | -41.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | T88 L89 L95 L96 L117 | T88-A92 WeakPolarHBondContact O-CB 3.45Å; T88-A92 PolarHBondContact O-N 3.37Å; L89-A92 PolarHBondContact O-N 3.16Å; A92-L95 PolarHBondContact O-N 3.02Å; A92-L96 WeakPolarHBondContact O-CB 3.33Å; A92-L96 PolarHBondContact O-N 2.99Å; A92-L117 HydrophobicContact CB-CD1 3.95Å |
| 93 | L | 92.1 | Very high | 88.1 | Confident | 97 Ų | 97 | 49.2 Ų | 49.2 | 51% | 0.508 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 174.1 | -71.4 | 171.4 | 0 | 0 | 0 | 111.5 | L89 A90 L95 L96 C97 | L89-L93 WeakPolarHBondContact O-CB 3.49Å; L89-L93 VanDerWaalsContact O-CG 3.32Å; L89-L93 WeakPolarHBondContact O-CG 3.28Å; L89-L93 PolarHBondContact O-N 3.4Å; A90-L93 PolarHBondContact O-N 3.39Å; L93-L95 VanDerWaalsContact C-N 3.31Å; L93-L95 PolarHBondContact O-N 3.07Å; L93-L96 PolarHBondContact O-N 2.81Å; L93-C97 WeakPolarHBondContact O-CB 3.13Å; L93-C97 PolarHBondContact O-N 3.2Å; L93-C97 PolarHBondContact O-SG 3.23Å |
| 94 | N | 90.6 | Very high | 86.7 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.027 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55 | -47.2 | 171.7 | -80.2 | -27.2 | 0 | 0 | 0 | 111.2 | A90 L96 C97 L98 A336 V339 F344 | A90-N94 WeakPolarHBondContact O-CB 3.4Å; A90-N94 PolarHBondContact O-N 3.35Å; A90-N94 PolarHBondContact O-ND2 3.46Å; N94-L96 PolarHBondContact O-N 2.86Å; N94-C97 PolarHBondContact O-N 2.95Å; N94-L98 VanDerWaalsContact O-CG 3.26Å; N94-L98 WeakPolarHBondContact O-CG 3.45Å; N94-L98 PolarHBondContact O-N 2.64Å; N94-A336 PolarHBondContact ND2-O 3.44Å; N94-V339 HydrophobicContact CB-CG1 4.35Å; N94-F344 WeakPolarHBondContact OD1-CE2 3.48Å |
| 95 | L | 90.9 | Very high | 85.7 | Confident | 56 Ų | 56 | 48.9 Ų | 48.9 | 29% | 0.293 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.3 | -37.3 | 179.3 | -171.1 | 63.6 | 0 | 0 | 0 | 113 | S91 A92 L93 P99 A110 | S91-L95 PolarHBondContact O-N 3.47Å; A92-L95 PolarHBondContact O-N 3.02Å; L93-L95 VanDerWaalsContact C-N 3.31Å; L93-L95 PolarHBondContact O-N 3.07Å; L95-P99 WeakPolarHBondContact O-CD 3.27Å; L95-A110 HydrophobicContact CD1-CB 3.87Å |
| 96 | L | 89.7 | Confident | 85 | Confident | 121 Ų | 121 | 49.3 Ų | 49.3 | 63% | 0.634 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -73.3 | -34.5 | 177.7 | -176.6 | 61.3 | 0 | 0 | 0 | 112.8 | A92 L93 N94 P99 | A92-L96 WeakPolarHBondContact O-CB 3.33Å; A92-L96 PolarHBondContact O-N 2.99Å; L93-L96 PolarHBondContact O-N 2.81Å; N94-L96 PolarHBondContact O-N 2.86Å; L96-P99 WeakPolarHBondContact O-CD 3.36Å |
| 97 | C | 85 | Confident | 84.5 | Confident | 33 Ų | 33 | 48.9 Ų | 48.9 | 22% | 0.223 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -81.7 | -23.2 | 179.8 | -68.2 | 0 | 0 | 0 | 0 | 113.5 | L93 N94 L100 R101 V343 | L93-C97 WeakPolarHBondContact O-CB 3.13Å; L93-C97 PolarHBondContact O-N 3.2Å; L93-C97 PolarHBondContact O-SG 3.23Å; N94-C97 PolarHBondContact O-N 2.95Å; C97-L100 WeakPolarHBondContact O-CB 3.22Å; C97-L100 PolarHBondContact O-N 2.94Å; C97-L100 VanDerWaalsContact O-N 3.14Å; C97-R101 PolarHBondContact O-N 3.36Å; C97-V343 HydrophobicContact CB-CG1 3.44Å; C97-V343 VanDerWaalsContact CB-CG1 3.44Å |
| 98 | L | 82.9 | Confident | 84.1 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.3 | -48.5 | 178.5 | -86.7 | 169.1 | 0 | 0 | 0 | 113.5 | N94 L100 R101 C102 P103 F109 A110 V343 | N94-L98 VanDerWaalsContact O-CG 3.26Å; N94-L98 WeakPolarHBondContact O-CG 3.45Å; N94-L98 PolarHBondContact O-N 2.64Å; L98-L100 VanDerWaalsContact C-N 3.28Å; L98-L100 PolarHBondContact O-N 2.86Å; L98-R101 PolarHBondContact O-N 3.05Å; L98-C102 PolarHBondContact O-N 2.85Å; L98-P103 HydrophobicContact CD2-CG 3.6Å; L98-F109 HydrophobicContact CD1-CB 3.84Å; L98-F109 HydrophobicContact CD2-CB 3.7Å; L98-F109 HydrophobicContact CD2-CG 4.4Å; L98-F109 HydrophobicContact CG-CB 4.45Å; L98-A110 HydrophobicContact CD1-CB 4.18Å; L98-V343 HydrophobicContact CD2-CG2 3.94Å; L98-V343 HydrophobicContact CG-CG2 4.19Å |
| 99 | P | 77.3 | Confident | 83.8 | Confident | 50 Ų | 50 | 51 Ų | 51 | 33% | 0.325 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.2 | -28.9 | 174.6 | -24.1 | 33.2 | 0 | 0 | 0 | 114.5 | L95 L96 C102 W356 | L95-P99 WeakPolarHBondContact O-CD 3.27Å; L96-P99 WeakPolarHBondContact O-CD 3.36Å; P99-C102 PolarHBondContact O-SG 3.22Å; P99-W356 VanDerWaalsContact O-CD1 3.23Å |
| 100 | L | 72.3 | Confident | 83.7 | Confident | 103 Ų | 103 | 46.7 Ų | 46.7 | 54% | 0.539 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -71.6 | -32.4 | -178.8 | -59.7 | 177.2 | 0 | 0 | 0 | 112.3 | C97 L98 | C97-L100 WeakPolarHBondContact O-CB 3.22Å; C97-L100 PolarHBondContact O-N 2.94Å; C97-L100 VanDerWaalsContact O-N 3.14Å; L98-L100 VanDerWaalsContact C-N 3.28Å; L98-L100 PolarHBondContact O-N 2.86Å |
| 101 | R | 71.5 | Confident | 83.6 | Confident | 80 Ų | 80 | 48.5 Ų | 48.5 | 30% | 0.302 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -107.6 | -13.3 | -174.3 | -149.6 | 165.3 | -166.4 | 172.3 | 2.1 | 114.7 | C97 L98 V343 S346 Q348 | C97-R101 PolarHBondContact O-N 3.36Å; L98-R101 PolarHBondContact O-N 3.05Å; R101-V343 VanDerWaalsContact CD-O 3.3Å; R101-V343 WeakPolarHBondContact CD-O 3.13Å; R101-V343 PolarHBondContact NH1-O 3.16Å; R101-S346 PolarHBondContact NH2-O 3.48Å; R101-Q348 PolarHBondContact NH2-O 3.06Å |
| 102 | C | 68.1 | Low | 83.7 | Confident | 58 Ų | 58 | 48.5 Ų | 48.5 | 39% | 0.392 | 29% | 0.291 | S | S | . | . | trans | 42.4 | 53.9 | 176.8 | -63.9 | 0 | 0 | 0 | 0 | 115.4 | L98 P99 | L98-C102 PolarHBondContact O-N 2.85Å; P99-C102 PolarHBondContact O-SG 3.22Å | ||
| 103 | P | 71 | Confident | 83.7 | Confident | 23 Ų | 23 | 46.6 Ų | 46.6 | 15% | 0.149 | 28% | 0.275 | C | S | . | . | trans | -62.7 | 151.5 | 178.7 | 28 | -34.8 | 0 | 0 | 0 | 112 | L98 G105 C106 F109 | L98-P103 HydrophobicContact CD2-CG 3.6Å; P103-G105 PolarHBondContact O-N 2.95Å; P103-C106 HydrophobicContact CG-CB 4.44Å; P103-C106 WeakPolarHBondContact O-CB 3.42Å; P103-C106 PolarHBondContact O-N 2.87Å; P103-F109 HydrophobicContact CG-CD2 4.44Å | ||
| 104 | S | 66.9 | Low | 83.8 | Confident | 46 Ų | 46 | 46.2 Ų | 46.2 | 32% | 0.322 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 124.4 | 171.6 | 47.1 | 0 | 0 | 0 | 0 | 110.2 | R265 C266 | S104-R265 WeakPolarHBondContact CB-O 3.44Å; S104-C266 VanDerWaalsContact OG-C 3.27Å; S104-C266 PolarHBondContact OG-O 3.05Å |
| 105 | G | 75.1 | Confident | 84.1 | Confident | 32 Ų | 32 | 47.8 Ų | 47.8 | 33% | 0.33 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 16.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | P103 G107 Y108 F109 | P103-G105 PolarHBondContact O-N 2.95Å; G105-G107 PolarHBondContact O-N 3.4Å; G105-Y108 PolarHBondContact O-N 2.99Å; G105-F109 PolarHBondContact O-N 3.49Å |
| 106 | C | 81.4 | Confident | 84.4 | Confident | 39 Ų | 39 | 45.2 Ų | 45.2 | 26% | 0.264 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -40.8 | -40.2 | 179.4 | -172.1 | 0 | 0 | 0 | 0 | 115.1 | P103 Y108 F109 A110 | P103-C106 HydrophobicContact CG-CB 4.44Å; P103-C106 WeakPolarHBondContact O-CB 3.42Å; P103-C106 PolarHBondContact O-N 2.87Å; C106-Y108 PolarHBondContact O-N 3.09Å; C106-F109 PolarHBondContact O-N 2.82Å; C106-A110 WeakPolarHBondContact O-CB 3.48Å; C106-A110 PolarHBondContact O-N 3.25Å |
| 107 | G | 86.4 | Confident | 84.7 | Confident | 49 Ų | 49 | 41.4 Ų | 41.4 | 51% | 0.505 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62 | -40 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G105 A110 L111 | G105-G107 PolarHBondContact O-N 3.4Å; G107-A110 PolarHBondContact O-N 3.48Å; G107-L111 WeakPolarHBondContact O-CG 3.5Å; G107-L111 PolarHBondContact O-N 2.9Å |
| 108 | Y | 88.6 | Confident | 85.2 | Confident | 76 Ų | 76 | 41.7 Ų | 41.7 | 30% | 0.298 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.1 | -41.3 | 176.7 | -66.6 | -68.5 | 0 | 0 | 0 | 111.6 | G105 C106 A110 L111 V112 L161 L164 L165 | G105-Y108 PolarHBondContact O-N 2.99Å; C106-Y108 PolarHBondContact O-N 3.09Å; Y108-A110 VanDerWaalsContact C-N 3.33Å; Y108-A110 PolarHBondContact O-N 3.11Å; Y108-L111 PolarHBondContact O-N 3.28Å; Y108-V112 WeakPolarHBondContact O-CG2 3.44Å; Y108-V112 PolarHBondContact O-N 2.9Å; Y108-L161 HydrophobicContact CD1-CD2 4.01Å; Y108-L164 HydrophobicContact CE1-CD2 4.36Å; Y108-L165 HydrophobicContact CD2-CD2 4.24Å; Y108-L165 HydrophobicContact CG-CD2 4.31Å |
| 109 | F | 90.8 | Very high | 85.8 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 1% | 0.013 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.7 | -41 | 173.8 | -70.5 | -69.4 | 0 | 0 | 0 | 111.8 | L98 P103 G105 C106 V112 S113 L165 P267 F268 V339 P342 | L98-F109 HydrophobicContact CD1-CB 3.84Å; L98-F109 HydrophobicContact CD2-CB 3.7Å; L98-F109 HydrophobicContact CD2-CG 4.4Å; L98-F109 HydrophobicContact CG-CB 4.45Å; P103-F109 HydrophobicContact CG-CD2 4.44Å; G105-F109 PolarHBondContact O-N 3.49Å; C106-F109 PolarHBondContact O-N 2.82Å; F109-V112 PolarHBondContact O-N 3.37Å; F109-S113 PolarHBondContact O-N 3.39Å; F109-S113 PolarHBondContact O-OG 3.38Å; F109-L165 HydrophobicContact CD1-CD1 3.91Å; F109-L165 HydrophobicContact CE1-CD1 3.79Å; F109-L165 HydrophobicContact CE2-CD1 4.45Å; F109-L165 HydrophobicContact CE2-CD2 4.37Å; F109-L165 HydrophobicContact CG-CD1 4.3Å; F109-L165 HydrophobicContact CZ-CD1 4.07Å; F109-L165 HydrophobicContact CZ-CD2 4.44Å; F109-P267 HydrophobicContact CE2-CB 4.02Å; F109-P267 HydrophobicContact CZ-CB 4.12Å; F109-F268 HydrophobicContact CE1-CE2 4.07Å; F109-F268 AromaticContact CE1-CZ 3.98Å; F109-F268 HydrophobicContact CE1-CZ 3.98Å; F109-F268 AromaticContact CZ-CE2 3.8Å; F109-F268 HydrophobicContact CZ-CE2 3.8Å; F109-F268 HydrophobicContact CZ-CZ 4.02Å; F109-V339 HydrophobicContact CB-CG1 4.24Å; F109-V339 HydrophobicContact CD1-CB 4.43Å; F109-V339 HydrophobicContact CD1-CG1 4.07Å; F109-V339 HydrophobicContact CD1-CG2 4.26Å; F109-P342 HydrophobicContact CD1-CG 4.48Å; F109-P342 HydrophobicContact CE1-CG 3.96Å; F109-P342 HydrophobicContact CE2-CG 4.49Å; F109-P342 HydrophobicContact CZ-CG 3.97Å |
| 110 | A | 92.5 | Very high | 86.8 | Confident | 28 Ų | 28 | 39.3 Ų | 39.3 | 23% | 0.231 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.6 | -40.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L95 L98 C106 G107 Y108 S113 L114 | L95-A110 HydrophobicContact CD1-CB 3.87Å; L98-A110 HydrophobicContact CD1-CB 4.18Å; C106-A110 WeakPolarHBondContact O-CB 3.48Å; C106-A110 PolarHBondContact O-N 3.25Å; G107-A110 PolarHBondContact O-N 3.48Å; Y108-A110 VanDerWaalsContact C-N 3.33Å; Y108-A110 PolarHBondContact O-N 3.11Å; A110-S113 PolarHBondContact O-N 3.13Å; A110-L114 VanDerWaalsContact O-CB 3.31Å; A110-L114 WeakPolarHBondContact O-CB 3.34Å; A110-L114 PolarHBondContact O-N 3.45Å |
| 111 | L | 94 | Very high | 87.9 | Confident | 77 Ų | 77 | 37.5 Ų | 37.5 | 40% | 0.403 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.5 | -42.1 | 173.7 | -72.4 | 171.7 | 0 | 0 | 0 | 112.2 | G107 Y108 L114 F115 L161 | G107-L111 WeakPolarHBondContact O-CG 3.5Å; G107-L111 PolarHBondContact O-N 2.9Å; Y108-L111 PolarHBondContact O-N 3.28Å; L111-L114 PolarHBondContact O-N 3.33Å; L111-F115 WeakPolarHBondContact O-CD2 3.44Å; L111-F115 PolarHBondContact O-N 3.36Å; L111-L161 HydrophobicContact CB-CD1 3.75Å |
| 112 | V | 95 | Very high | 88.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.8 | -49.1 | 174.2 | 176.4 | 0 | 0 | 0 | 0 | 110.4 | Y108 F109 L114 F115 L116 A158 L161 V162 V339 | Y108-V112 WeakPolarHBondContact O-CG2 3.44Å; Y108-V112 PolarHBondContact O-N 2.9Å; F109-V112 PolarHBondContact O-N 3.37Å; V112-L114 VanDerWaalsContact C-N 3.29Å; V112-L114 PolarHBondContact O-N 2.89Å; V112-F115 PolarHBondContact O-N 3.49Å; V112-L116 HydrophobicContact CG1-CD1 3.83Å; V112-L116 HydrophobicContact CG1-CG 4.27Å; V112-L116 WeakPolarHBondContact O-CB 3.21Å; V112-L116 VanDerWaalsContact O-CG 3.31Å; V112-L116 WeakPolarHBondContact O-CG 3.27Å; V112-L116 PolarHBondContact O-N 3.2Å; V112-A158 HydrophobicContact CG1-CB 4.27Å; V112-L161 HydrophobicContact CG2-CB 3.5Å; V112-L161 HydrophobicContact CG2-CD1 4.09Å; V112-L161 HydrophobicContact CG2-CG 4.47Å; V112-V162 HydrophobicContact CB-CG2 4.38Å; V112-V162 HydrophobicContact CG1-CG2 3.71Å; V112-V162 HydrophobicContact CG2-CG2 3.75Å; V112-V339 HydrophobicContact CB-CG2 4.01Å; V112-V339 HydrophobicContact CG1-CG2 3.48Å; V112-V339 VanDerWaalsContact CG1-CG2 3.48Å |
| 113 | S | 94.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.9 | -39.4 | 175.6 | -73.1 | 0 | 0 | 0 | 0 | 112.6 | F109 A110 L117 | F109-S113 PolarHBondContact O-N 3.39Å; F109-S113 PolarHBondContact O-OG 3.38Å; A110-S113 PolarHBondContact O-N 3.13Å; S113-L117 WeakPolarHBondContact O-CB 3.36Å; S113-L117 PolarHBondContact O-N 2.92Å |
| 114 | L | 96 | Very high | 91.3 | Very high | 89 Ų | 89 | 31.8 Ų | 31.8 | 47% | 0.466 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.7 | -43.7 | 178 | -177.9 | 63.2 | 0 | 0 | 0 | 112.1 | A110 L111 V112 L117 A118 | A110-L114 VanDerWaalsContact O-CB 3.31Å; A110-L114 WeakPolarHBondContact O-CB 3.34Å; A110-L114 PolarHBondContact O-N 3.45Å; L111-L114 PolarHBondContact O-N 3.33Å; V112-L114 VanDerWaalsContact C-N 3.29Å; V112-L114 PolarHBondContact O-N 2.89Å; L114-L117 PolarHBondContact O-N 2.92Å; L114-A118 WeakPolarHBondContact O-CB 3.45Å; L114-A118 PolarHBondContact O-N 2.92Å |
| 115 | F | 96.4 | Very high | 92.6 | Very high | 39 Ų | 39 | 34.1 Ų | 34.1 | 17% | 0.171 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.8 | -39.9 | 176.1 | -72.4 | -53.9 | 0 | 0 | 0 | 112.5 | L111 V112 A118 A119 C154 A157 A158 L161 V189 F193 | L111-F115 WeakPolarHBondContact O-CD2 3.44Å; L111-F115 PolarHBondContact O-N 3.36Å; V112-F115 PolarHBondContact O-N 3.49Å; F115-A118 PolarHBondContact O-N 3.42Å; F115-A119 WeakPolarHBondContact O-CB 3.36Å; F115-A119 PolarHBondContact O-N 3.46Å; F115-C154 HydrophobicContact CB-CB 4.35Å; F115-C154 HydrophobicContact CD1-CB 4.41Å; F115-A157 HydrophobicContact CD1-CB 4.29Å; F115-A157 HydrophobicContact CD2-CB 3.8Å; F115-A157 HydrophobicContact CE1-CB 4.25Å; F115-A157 HydrophobicContact CE2-CB 3.76Å; F115-A157 HydrophobicContact CG-CB 4.08Å; F115-A157 HydrophobicContact CZ-CB 3.99Å; F115-A158 HydrophobicContact CB-CB 4.09Å; F115-L161 HydrophobicContact CD2-CD1 3.81Å; F115-L161 HydrophobicContact CE2-CD1 3.72Å; F115-V189 HydrophobicContact CZ-CG1 4.46Å; F115-F193 HydrophobicContact CD1-CZ 4.28Å; F115-F193 AromaticContact CE1-CE2 3.92Å; F115-F193 HydrophobicContact CE1-CE2 3.92Å; F115-F193 AromaticContact CE1-CZ 3.82Å; F115-F193 HydrophobicContact CE1-CZ 3.82Å |
| 116 | L | 96.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.8 | -42.3 | 173.9 | -67.6 | 175 | 0 | 0 | 0 | 111.5 | V112 A119 A120 A158 L335 A336 | V112-L116 HydrophobicContact CG1-CD1 3.83Å; V112-L116 HydrophobicContact CG1-CG 4.27Å; V112-L116 WeakPolarHBondContact O-CB 3.21Å; V112-L116 VanDerWaalsContact O-CG 3.31Å; V112-L116 WeakPolarHBondContact O-CG 3.27Å; V112-L116 PolarHBondContact O-N 3.2Å; L116-A119 PolarHBondContact O-N 3.47Å; L116-A120 WeakPolarHBondContact O-CB 3.44Å; L116-A120 PolarHBondContact O-N 3.45Å; L116-A158 HydrophobicContact CD2-CB 3.98Å; L116-A158 HydrophobicContact CG-CB 4.14Å; L116-L335 HydrophobicContact CD1-CB 3.97Å; L116-L335 HydrophobicContact CD2-CB 4.04Å; L116-L335 HydrophobicContact CD2-CD1 4.21Å; L116-A336 HydrophobicContact CD1-CB 4.18Å |
| 117 | L | 96.8 | Very high | 93.8 | Very high | 41 Ų | 41 | 32 Ų | 32 | 22% | 0.215 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.4 | -46.8 | 174.3 | -176.5 | 72.5 | 0 | 0 | 0 | 111.1 | T88 A92 S113 L114 C121 | T88-L117 HydrophobicContact CG2-CD1 3.59Å; T88-L117 VanDerWaalsContact O-CD1 3.23Å; T88-L117 WeakPolarHBondContact O-CD1 3.46Å; A92-L117 HydrophobicContact CB-CD1 3.95Å; S113-L117 WeakPolarHBondContact O-CB 3.36Å; S113-L117 PolarHBondContact O-N 2.92Å; L114-L117 PolarHBondContact O-N 2.92Å; L117-C121 WeakPolarHBondContact O-CB 3.38Å; L117-C121 PolarHBondContact O-N 3.49Å |
| 118 | A | 95.9 | Very high | 94 | Very high | 39 Ų | 39 | 33.1 Ų | 33.1 | 32% | 0.322 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.1 | -46.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | L114 F115 T122 | L114-A118 WeakPolarHBondContact O-CB 3.45Å; L114-A118 PolarHBondContact O-N 2.92Å; F115-A118 PolarHBondContact O-N 3.42Å; A118-T122 WeakPolarHBondContact O-CB 3.44Å; A118-T122 WeakPolarHBondContact O-CG2 3.33Å; A118-T122 PolarHBondContact O-N 2.94Å; A118-T122 PolarHBondContact O-OG1 3.43Å |
| 119 | A | 95.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 2% | 0.017 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.1 | -45.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F115 L116 T122 R123 P151 C154 L155 | F115-A119 WeakPolarHBondContact O-CB 3.36Å; F115-A119 PolarHBondContact O-N 3.46Å; L116-A119 PolarHBondContact O-N 3.47Å; A119-T122 PolarHBondContact O-OG1 3.28Å; A119-T122 VanDerWaalsContact O-OG1 3.12Å; A119-R123 WeakPolarHBondContact O-CB 3.49Å; A119-R123 WeakPolarHBondContact O-CG 3.4Å; A119-R123 PolarHBondContact O-N 3.38Å; A119-R123 VanDerWaalsContact O-N 3.08Å; A119-P151 HydrophobicContact CB-CB 4.27Å; A119-C154 HydrophobicContact CB-CB 3.82Å; A119-L155 HydrophobicContact CB-CD2 4.46Å; A119-L155 HydrophobicContact CB-CG 4.34Å |
| 120 | A | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.6 | -40.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F84 L87 T88 L116 R123 S124 | F84-A120 HydrophobicContact CD1-CB 4.3Å; L87-A120 HydrophobicContact CB-CB 4.4Å; L87-A120 HydrophobicContact CD2-CB 4.19Å; L87-A120 HydrophobicContact CG-CB 4.3Å; T88-A120 VanDerWaalsContact OG1-CB 3.29Å; T88-A120 WeakPolarHBondContact OG1-CB 3.41Å; T88-A120 PolarHBondContact OG1-O 3.45Å; L116-A120 WeakPolarHBondContact O-CB 3.44Å; L116-A120 PolarHBondContact O-N 3.45Å; A120-R123 PolarHBondContact O-N 3.05Å; A120-S124 VanDerWaalsContact O-CB 3.25Å; A120-S124 WeakPolarHBondContact O-CB 3.47Å; A120-S124 PolarHBondContact O-N 3.01Å |
| 121 | C | 95.6 | Very high | 93.6 | Very high | 64 Ų | 64 | 34.2 Ų | 34.2 | 43% | 0.432 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.3 | -47.7 | 177.1 | -175.8 | 0 | 0 | 0 | 0 | 111.5 | T88 L117 R123 S124 F125 | T88-C121 HydrophobicContact CG2-CB 3.89Å; T88-C121 PolarHBondContact OG1-N 2.88Å; L117-C121 WeakPolarHBondContact O-CB 3.38Å; L117-C121 PolarHBondContact O-N 3.49Å; C121-R123 PolarHBondContact O-N 3.44Å; C121-S124 PolarHBondContact O-N 3.14Å; C121-F125 VanDerWaalsContact O-CB 3.29Å; C121-F125 WeakPolarHBondContact O-CB 3.26Å; C121-F125 PolarHBondContact O-N 2.91Å |
| 122 | T | 94.1 | Very high | 92.9 | Very high | 28 Ų | 28 | 31.9 Ų | 31.9 | 17% | 0.172 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.2 | -38.2 | 178.2 | 48 | 0 | 0 | 0 | 0 | 112.7 | A118 A119 S126 L147 A150 | A118-T122 WeakPolarHBondContact O-CB 3.44Å; A118-T122 WeakPolarHBondContact O-CG2 3.33Å; A118-T122 PolarHBondContact O-N 2.94Å; A118-T122 PolarHBondContact O-OG1 3.43Å; A119-T122 PolarHBondContact O-OG1 3.28Å; A119-T122 VanDerWaalsContact O-OG1 3.12Å; T122-S126 WeakPolarHBondContact O-CB 3.35Å; T122-S126 PolarHBondContact O-N 3.45Å; T122-S126 PolarHBondContact O-OG 2.98Å; T122-L147 HydrophobicContact CG2-CD2 4.18Å; T122-A150 HydrophobicContact CG2-CB 4.42Å |
| 123 | R | 93.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.3 | -42.8 | 172.3 | -76.7 | -61.1 | -169.4 | -127.5 | -5 | 113.1 | F84 A119 A120 C121 S126 L127 F148 P151 F152 R325 E328 | F84-R123 HydrophobicContact CD1-CB 3.88Å; F84-R123 HydrophobicContact CD2-CB 3.94Å; F84-R123 HydrophobicContact CE1-CB 3.91Å; F84-R123 HydrophobicContact CE1-CG 4.12Å; F84-R123 HydrophobicContact CE2-CB 3.99Å; F84-R123 HydrophobicContact CE2-CG 4.4Å; F84-R123 HydrophobicContact CG-CB 3.9Å; F84-R123 HydrophobicContact CZ-CB 3.97Å; F84-R123 HydrophobicContact CZ-CG 4.03Å; A119-R123 WeakPolarHBondContact O-CB 3.49Å; A119-R123 WeakPolarHBondContact O-CG 3.4Å; A119-R123 PolarHBondContact O-N 3.38Å; A119-R123 VanDerWaalsContact O-N 3.08Å; A120-R123 PolarHBondContact O-N 3.05Å; C121-R123 PolarHBondContact O-N 3.44Å; R123-S126 WeakPolarHBondContact CA-OG 3.29Å; R123-S126 PolarHBondContact O-OG 3.41Å; R123-L127 WeakPolarHBondContact O-CB 3.31Å; R123-L127 WeakPolarHBondContact O-CG 3.29Å; R123-L127 PolarHBondContact O-N 2.85Å; R123-F148 PolarHBondContact NH1-O 2.89Å; R123-F148 PolarHBondContact NH2-O 3.06Å; R123-P151 HydrophobicContact CG-CB 4.08Å; R123-P151 HydrophobicContact CG-CG 3.7Å; R123-F152 VanDerWaalsContact NH2-CZ 3.3Å; R123-R325 VanDerWaalsContact CZ-NH1 3.26Å; R123-R325 VanDerWaalsContact NE-NH1 3.18Å; R123-E328 IonicContact CZ-OE1 3.55Å; R123-E328 IonicContact CZ-OE2 2.95Å; R123-E328 IonicContact NE-OE1 3.52Å; R123-E328 IonicContact NE-OE2 2.77Å; R123-E328 PolarHBondContact NE-OE2 3.39Å; R123-E328 IonicContact NH2-OE1 3.18Å; R123-E328 PolarHBondContact NH2-OE1 3.03Å; R123-E328 IonicContact NH2-OE2 3.3Å |
| 124 | S | 95.3 | Very high | 91.3 | Very high | 12 Ų | 12 | 35.8 Ų | 35.8 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.9 | -47.1 | 177.9 | -171.2 | 0 | 0 | 0 | 0 | 111.1 | G81 A85 A120 C121 L127 L128 | G81-S124 PolarHBondContact O-OG 2.91Å; A85-S124 WeakPolarHBondContact CB-OG 3.16Å; A85-S124 PolarHBondContact N-OG 2.95Å; A120-S124 VanDerWaalsContact O-CB 3.25Å; A120-S124 WeakPolarHBondContact O-CB 3.47Å; A120-S124 PolarHBondContact O-N 3.01Å; C121-S124 PolarHBondContact O-N 3.14Å; S124-L127 PolarHBondContact O-N 3.12Å; S124-L128 WeakPolarHBondContact O-CB 3.36Å; S124-L128 VanDerWaalsContact O-CG 3.27Å; S124-L128 WeakPolarHBondContact O-CG 3.29Å; S124-L128 PolarHBondContact O-N 3.35Å; S124-L128 WeakPolarHBondContact OG-CD1 3.47Å |
| 125 | F | 93.7 | Very high | 90.3 | Very high | 94 Ų | 94 | 36.8 Ų | 36.8 | 41% | 0.412 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.2 | -49.4 | 176.2 | 179.7 | -99.8 | 0 | 0 | 0 | 112.3 | C121 L127 L128 Y129 L147 | C121-F125 VanDerWaalsContact O-CB 3.29Å; C121-F125 WeakPolarHBondContact O-CB 3.26Å; C121-F125 PolarHBondContact O-N 2.91Å; F125-L127 PolarHBondContact O-N 3.38Å; F125-L128 PolarHBondContact O-N 3.13Å; F125-Y129 HydrophobicContact CE1-CD1 4.46Å; F125-Y129 HydrophobicContact CE2-CD2 4.24Å; F125-Y129 HydrophobicContact CE2-CG 4.07Å; F125-Y129 HydrophobicContact CZ-CD1 4.06Å; F125-Y129 HydrophobicContact CZ-CD2 4.32Å; F125-Y129 AromaticContact CZ-CG 3.89Å; F125-Y129 HydrophobicContact CZ-CG 3.89Å; F125-Y129 WeakPolarHBondContact O-CB 3.36Å; F125-Y129 PolarHBondContact O-N 2.98Å; F125-L147 HydrophobicContact CD1-CD1 4.08Å; F125-L147 HydrophobicContact CD1-CD2 4.24Å; F125-L147 HydrophobicContact CE1-CD1 3.88Å |
| 126 | S | 90.2 | Very high | 89.3 | Confident | 21 Ų | 21 | 41.5 Ų | 41.5 | 15% | 0.147 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.7 | -36.4 | -179 | 50.3 | 0 | 0 | 0 | 0 | 113.3 | T122 R123 D130 A131 | T122-S126 WeakPolarHBondContact O-CB 3.35Å; T122-S126 PolarHBondContact O-N 3.45Å; T122-S126 PolarHBondContact O-OG 2.98Å; R123-S126 WeakPolarHBondContact CA-OG 3.29Å; R123-S126 PolarHBondContact O-OG 3.41Å; S126-D130 CarbonylContact O-C 3.22Å; S126-D130 PolarHBondContact O-N 3.25Å; S126-D130 VanDerWaalsContact O-O 3.12Å; S126-A131 PolarHBondContact O-N 2.94Å |
| 127 | L | 91.6 | Very high | 88.4 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.9 | -47.1 | 174.3 | -70.2 | 170.5 | 0 | 0 | 0 | 112.4 | V77 A80 F84 R123 S124 F125 A131 Y132 | V77-L127 VanDerWaalsContact CG1-O 3.28Å; V77-L127 WeakPolarHBondContact CG1-O 3.45Å; A80-L127 HydrophobicContact CB-CD1 4.04Å; F84-L127 HydrophobicContact CD2-CD1 3.97Å; F84-L127 HydrophobicContact CE2-CD1 4.23Å; R123-L127 WeakPolarHBondContact O-CB 3.31Å; R123-L127 WeakPolarHBondContact O-CG 3.29Å; R123-L127 PolarHBondContact O-N 2.85Å; S124-L127 PolarHBondContact O-N 3.12Å; F125-L127 PolarHBondContact O-N 3.38Å; L127-A131 WeakPolarHBondContact O-CB 3.25Å; L127-Y132 HydrophobicContact CD2-CE2 3.84Å |
| 128 | L | 91.3 | Very high | 87.5 | Confident | 74 Ų | 74 | 47.4 Ų | 47.4 | 39% | 0.387 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -79 | -25.9 | -172.7 | -63.7 | 174.3 | 0 | 0 | 0 | 114 | Y78 S124 F125 | Y78-L128 HydrophobicContact CD1-CD2 3.7Å; Y78-L128 HydrophobicContact CE1-CD2 4.29Å; S124-L128 WeakPolarHBondContact O-CB 3.36Å; S124-L128 VanDerWaalsContact O-CG 3.27Å; S124-L128 WeakPolarHBondContact O-CG 3.29Å; S124-L128 PolarHBondContact O-N 3.35Å; S124-L128 WeakPolarHBondContact OG-CD1 3.47Å; F125-L128 PolarHBondContact O-N 3.13Å |
| 129 | Y | 90.1 | Very high | 86.3 | Confident | 106 Ų | 106 | 51.7 Ų | 51.7 | 42% | 0.416 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -91.1 | -46.7 | -176.9 | -174.7 | -98.6 | 0 | 0 | 0 | 113.5 | F125 R137 I138 | F125-Y129 HydrophobicContact CE1-CD1 4.46Å; F125-Y129 HydrophobicContact CE2-CD2 4.24Å; F125-Y129 HydrophobicContact CE2-CG 4.07Å; F125-Y129 HydrophobicContact CZ-CD1 4.06Å; F125-Y129 HydrophobicContact CZ-CD2 4.32Å; F125-Y129 AromaticContact CZ-CG 3.89Å; F125-Y129 HydrophobicContact CZ-CG 3.89Å; F125-Y129 WeakPolarHBondContact O-CB 3.36Å; F125-Y129 PolarHBondContact O-N 2.98Å; Y129-R137 HydrophobicContact CE1-CB 3.84Å; Y129-R137 WeakPolarHBondContact O-CD 3.48Å; Y129-R137 PolarHBondContact O-NH1 2.98Å; Y129-I138 HydrophobicContact CD1-CD1 4.4Å; Y129-I138 HydrophobicContact CD1-CG1 4.1Å; Y129-I138 HydrophobicContact CE1-CG1 3.97Å |
| 130 | D | 87.1 | Confident | 85.5 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 6% | 0.059 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -154.1 | 73.2 | -176.6 | -166.8 | 1.8 | 0 | 0 | 0 | 110.6 | S126 Y132 G133 H134 Q135 R137 I138 | S126-D130 CarbonylContact O-C 3.22Å; S126-D130 PolarHBondContact O-N 3.25Å; S126-D130 VanDerWaalsContact O-O 3.12Å; D130-Y132 PolarHBondContact O-N 2.69Å; D130-G133 PolarHBondContact O-N 3.02Å; D130-G133 VanDerWaalsContact O-N 3.14Å; D130-G133 WeakPolarHBondContact OD1-CA 3.43Å; D130-H134 PolarHBondContact OD1-N 3.31Å; D130-Q135 PolarHBondContact OD1-N 2.92Å; D130-R137 HydrophobicContact CB-CB 4.31Å; D130-R137 PolarHBondContact OD2-N 3.39Å; D130-I138 HydrophobicContact CB-CD1 4.23Å; D130-I138 HydrophobicContact CB-CG1 4.23Å; D130-I138 PolarHBondContact OD2-N 2.9Å |
| 131 | A | 85.3 | Confident | 84.6 | Confident | 12 Ų | 12 | 57.2 Ų | 57.2 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -52.4 | 111.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | W73 V77 S126 L127 G133 H134 | W73-A131 HydrophobicContact CH2-CB 4.26Å; W73-A131 HydrophobicContact CZ2-CB 3.78Å; V77-A131 HydrophobicContact CB-CB 4.45Å; V77-A131 HydrophobicContact CG1-CB 3.8Å; V77-A131 HydrophobicContact CG2-CB 3.71Å; S126-A131 PolarHBondContact O-N 2.94Å; L127-A131 WeakPolarHBondContact O-CB 3.25Å; A131-G133 PolarHBondContact O-N 3.47Å; A131-H134 WeakPolarHBondContact O-CB 3.46Å; A131-H134 PolarHBondContact O-N 3.3Å; A131-H134 VanDerWaalsContact O-N 3.09Å |
| 132 | Y | 80.6 | Confident | 83.8 | Confident | 28 Ų | 28 | 56.7 Ų | 56.7 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | 58 | 16.2 | 177.9 | -58.3 | -84.1 | 0 | 0 | 0 | 115.2 | M54 W73 H76 L127 D130 H134 W317 Q321 | M54-Y132 HydrophobicContact CE-CD1 3.37Å; M54-Y132 HydrophobicContact CE-CE1 3.84Å; M54-Y132 HydrophobicContact CE-CG 4.31Å; M54-Y132 HydrophobicContact SD-CD1 3.66Å; M54-Y132 HydrophobicContact SD-CG 4.28Å; W73-Y132 AromaticContact CH2-CD2 3.64Å; W73-Y132 HydrophobicContact CH2-CD2 3.64Å; W73-Y132 HydrophobicContact CH2-CE2 4.4Å; W73-Y132 HydrophobicContact CH2-CG 4.45Å; W73-Y132 HydrophobicContact CZ3-CD2 4.05Å; W73-Y132 HydrophobicContact CZ3-CE2 4.44Å; H76-Y132 PolarHBondContact CE1-OH 2.97Å; H76-Y132 AromaticContact NE2-CE2 3.44Å; H76-Y132 WeakPolarHBondContact NE2-CE2 3.48Å; H76-Y132 AromaticContact NE2-CZ 3.57Å; H76-Y132 PolarHBondContact NE2-OH 2.8Å; L127-Y132 HydrophobicContact CD2-CE2 3.84Å; D130-Y132 PolarHBondContact O-N 2.69Å; Y132-H134 VanDerWaalsContact C-N 3.34Å; Y132-W317 HydrophobicContact CD1-CH2 4.43Å; Y132-W317 HydrophobicContact CD2-CH2 4.46Å; Y132-W317 HydrophobicContact CG-CH2 4.19Å; Y132-Q321 HydrophobicContact CE1-CB 4.18Å; Y132-Q321 HydrophobicContact CE1-CG 4.09Å |
| 133 | G | 77.2 | Confident | 83.3 | Confident | 29 Ų | 29 | 57.2 Ų | 57.2 | 30% | 0.299 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | 75.5 | 17 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D130 A131 Q135 D136 | D130-G133 PolarHBondContact O-N 3.02Å; D130-G133 VanDerWaalsContact O-N 3.14Å; D130-G133 WeakPolarHBondContact OD1-CA 3.43Å; A131-G133 PolarHBondContact O-N 3.47Å; G133-Q135 PolarHBondContact O-N 2.83Å; G133-Q135 VanDerWaalsContact O-N 3.16Å; G133-D136 PolarHBondContact O-N 2.97Å |
| 134 | H | 78.1 | Confident | 82.7 | Confident | 54 Ų | 54 | 58.8 Ų | 58.8 | 25% | 0.25 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -33.2 | 178.9 | 176.6 | -52.6 | 0 | 0 | 0 | 112.5 | W62 D130 A131 Y132 | W62-H134 AromaticContact CD2-CD2 3.86Å; W62-H134 HydrophobicContact CE3-CB 4.49Å; W62-H134 AromaticContact CE3-CD2 3.49Å; W62-H134 VanDerWaalsContact CE3-CD2 3.49Å; W62-H134 HydrophobicContact CH2-CB 4.48Å; W62-H134 HydrophobicContact CZ3-CB 4.45Å; D130-H134 PolarHBondContact OD1-N 3.31Å; A131-H134 WeakPolarHBondContact O-CB 3.46Å; A131-H134 PolarHBondContact O-N 3.3Å; A131-H134 VanDerWaalsContact O-N 3.09Å; Y132-H134 VanDerWaalsContact C-N 3.34Å |
| 135 | Q | 75.4 | Confident | 82 | Confident | 110 Ų | 110 | 59.5 Ų | 59.5 | 51% | 0.514 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 4.3 | -171.7 | -59.8 | -169.5 | 22.1 | 0 | 0 | 113.6 | D130 G133 R137 | D130-Q135 PolarHBondContact OD1-N 2.92Å; G133-Q135 PolarHBondContact O-N 2.83Å; G133-Q135 VanDerWaalsContact O-N 3.16Å; Q135-R137 HydrophobicContact CB-CG 3.84Å; Q135-R137 PolarHBondContact O-N 3.48Å |
| 136 | D | 76.4 | Confident | 81.6 | Confident | 139 Ų | 139 | 58.3 Ų | 58.3 | 74% | 0.743 | 32% | 0.318 | S | S | * | . | trans | 43.6 | 33 | -178.5 | -76.5 | -45.5 | 0 | 0 | 0 | 113.9 | G133 I138 | G133-D136 PolarHBondContact O-N 2.97Å; D136-I138 VanDerWaalsContact C-N 3.26Å; D136-I138 PolarHBondContact O-N 3.4Å | ||
| 137 | R | 77.5 | Confident | 81.5 | Confident | 129 Ų | 129 | 59.2 Ų | 59.2 | 49% | 0.487 | 32% | 0.321 | S | S | . | . | trans | -71.6 | -25.5 | -176.3 | -69.8 | 176.9 | 175.9 | -167.7 | -3 | 111.6 | Y129 D130 Q135 S139 | Y129-R137 HydrophobicContact CE1-CB 3.84Å; Y129-R137 WeakPolarHBondContact O-CD 3.48Å; Y129-R137 PolarHBondContact O-NH1 2.98Å; D130-R137 HydrophobicContact CB-CB 4.31Å; D130-R137 PolarHBondContact OD2-N 3.39Å; Q135-R137 HydrophobicContact CB-CG 3.84Å; Q135-R137 PolarHBondContact O-N 3.48Å; R137-S139 PolarHBondContact O-N 3.47Å | ||
| 138 | I | 76.3 | Confident | 81.2 | Confident | 37 Ų | 37 | 60 Ų | 60 | 19% | 0.19 | 33% | 0.325 | C | S | . | . | trans | -88.1 | 90.7 | 176.9 | -53.6 | 176.7 | 0 | 0 | 0 | 108.6 | Y129 D130 D136 S140 A143 L147 | Y129-I138 HydrophobicContact CD1-CD1 4.4Å; Y129-I138 HydrophobicContact CD1-CG1 4.1Å; Y129-I138 HydrophobicContact CE1-CG1 3.97Å; D130-I138 HydrophobicContact CB-CD1 4.23Å; D130-I138 HydrophobicContact CB-CG1 4.23Å; D130-I138 PolarHBondContact OD2-N 2.9Å; D136-I138 VanDerWaalsContact C-N 3.26Å; D136-I138 PolarHBondContact O-N 3.4Å; I138-S140 PolarHBondContact O-N 2.72Å; I138-A143 HydrophobicContact CG2-CB 4Å; I138-L147 HydrophobicContact CD1-CD1 4.06Å | ||
| 139 | S | 70.6 | Confident | 81.1 | Confident | 128 Ų | 128 | 56.7 Ų | 56.7 | 90% | 0.895 | 31% | 0.307 | S | S | * | . | trans | -60.6 | -12 | -176.8 | 60.3 | 0 | 0 | 0 | 0 | 115.7 | R137 | R137-S139 PolarHBondContact O-N 3.47Š| ||
| 140 | S | 80.1 | Confident | 81.1 | Confident | 46 Ų | 46 | 52.2 Ų | 52.2 | 32% | 0.322 | 29% | 0.292 | S | S | . | . | trans | -107.8 | 112.4 | 175.1 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | I138 E142 A143 S144 | I138-S140 PolarHBondContact O-N 2.72Å; S140-E142 PolarHBondContact O-N 3.24Å; S140-E142 PolarHBondContact OG-N 3.13Å; S140-A143 PolarHBondContact O-N 3.48Å; S140-A143 PolarHBondContact OG-N 2.88Å; S140-S144 PolarHBondContact O-N 2.94Å | ||
| 141 | T | 76.4 | Confident | 81.4 | Confident | 72 Ų | 72 | 51.7 Ų | 51.7 | 44% | 0.442 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.4 | -24.4 | 174 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | S144 L145 | T141-S144 PolarHBondContact O-OG 2.83Å; T141-L145 WeakPolarHBondContact O-CB 3.29Å; T141-L145 PolarHBondContact O-N 3.39Å |
| 142 | E | 79.7 | Confident | 81.8 | Confident | 53 Ų | 53 | 51.2 Ų | 51.2 | 25% | 0.248 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.7 | -43.1 | 174.5 | -74 | 156.2 | -147.7 | 0 | 0 | 110.7 | S140 L145 M146 V200 L203 K204 | S140-E142 PolarHBondContact O-N 3.24Å; S140-E142 PolarHBondContact OG-N 3.13Å; E142-L145 PolarHBondContact O-N 2.85Å; E142-M146 WeakPolarHBondContact O-CG 3.4Å; E142-M146 PolarHBondContact O-N 3.46Å; E142-V200 HydrophobicContact CB-CG1 4.22Å; E142-V200 HydrophobicContact CG-CG1 4.39Å; E142-L203 HydrophobicContact CG-CD2 3.95Å; E142-K204 WeakPolarHBondContact OE1-CE 3.48Å; E142-K204 WeakPolarHBondContact OE1-CG 3.33Å; E142-K204 IonicContact OE1-NZ 2.75Å; E142-K204 WeakPolarHBondContact OE2-CE 3.4Å; E142-K204 IonicContact OE2-NZ 3.65Å; E142-K204 PolarHBondContact OE2-NZ 3.41Å |
| 143 | A | 82.3 | Confident | 82.5 | Confident | 39 Ų | 39 | 49.9 Ų | 49.9 | 32% | 0.322 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.6 | -41.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I138 S140 M146 L147 | I138-A143 HydrophobicContact CG2-CB 4Å; S140-A143 PolarHBondContact O-N 3.48Å; S140-A143 PolarHBondContact OG-N 2.88Å; A143-M146 PolarHBondContact O-N 3.48Å; A143-L147 WeakPolarHBondContact O-CB 3.5Å; A143-L147 VanDerWaalsContact O-CG 3.29Å; A143-L147 WeakPolarHBondContact O-CG 3.35Å; A143-L147 PolarHBondContact O-N 3.24Å |
| 144 | S | 81.6 | Confident | 83.3 | Confident | 35 Ų | 35 | 48.9 Ų | 48.9 | 25% | 0.245 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.2 | -39.4 | 176.7 | 59.2 | 0 | 0 | 0 | 0 | 112.2 | S140 T141 L147 F148 | S140-S144 PolarHBondContact O-N 2.94Å; T141-S144 PolarHBondContact O-OG 2.83Å; S144-L147 PolarHBondContact O-N 3.17Å; S144-F148 PolarHBondContact O-N 3.32Å |
| 145 | L | 80.3 | Confident | 84.2 | Confident | 27 Ų | 27 | 46.8 Ų | 46.8 | 14% | 0.141 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.6 | -43.3 | 174.8 | -173.9 | 61.5 | 0 | 0 | 0 | 112.3 | P53 T141 E142 L147 F148 E149 V200 L203 | P53-L145 HydrophobicContact CB-CD1 4Å; T141-L145 WeakPolarHBondContact O-CB 3.29Å; T141-L145 PolarHBondContact O-N 3.39Å; E142-L145 PolarHBondContact O-N 2.85Å; L145-L147 PolarHBondContact O-N 3.28Å; L145-F148 PolarHBondContact O-N 3.2Å; L145-E149 HydrophobicContact CD1-CG 4.17Å; L145-E149 PolarHBondContact O-N 3.2Å; L145-V200 HydrophobicContact CB-CG1 4.45Å; L145-V200 HydrophobicContact CD2-CB 4.49Å; L145-V200 HydrophobicContact CD2-CG1 4.21Å; L145-V200 HydrophobicContact CD2-CG2 3.88Å; L145-V200 HydrophobicContact CG-CG2 3.94Å; L145-L203 HydrophobicContact CD2-CD2 4.21Å |
| 146 | M | 85.9 | Confident | 85.1 | Confident | 70 Ų | 70 | 41.9 Ų | 41.9 | 35% | 0.345 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.7 | -45.2 | 174 | -72.7 | -166 | -176.5 | 0 | 0 | 111.8 | E142 A143 F148 E149 A150 F197 V200 | E142-M146 WeakPolarHBondContact O-CG 3.4Å; E142-M146 PolarHBondContact O-N 3.46Å; A143-M146 PolarHBondContact O-N 3.48Å; M146-F148 VanDerWaalsContact C-N 3.29Å; M146-F148 PolarHBondContact O-N 3.01Å; M146-E149 PolarHBondContact O-N 3.08Å; M146-A150 WeakPolarHBondContact O-CB 3.23Å; M146-A150 PolarHBondContact O-N 2.71Å; M146-F197 HydrophobicContact CB-CE1 4.18Å; M146-F197 HydrophobicContact CG-CD1 4.14Å; M146-F197 HydrophobicContact CG-CE1 4.27Å; M146-F197 HydrophobicContact SD-CD1 4.44Å; M146-V200 HydrophobicContact CE-CB 4.11Å; M146-V200 HydrophobicContact CE-CG1 3.8Å; M146-V200 HydrophobicContact CG-CB 4.2Å; M146-V200 HydrophobicContact CG-CG1 3.72Å; M146-V200 HydrophobicContact CG-CG2 4.31Å |
| 147 | L | 87.3 | Confident | 86 | Confident | 39 Ų | 39 | 35.2 Ų | 35.2 | 20% | 0.204 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.7 | -32.1 | 178.3 | -72.7 | 167.7 | 0 | 0 | 0 | 112.8 | T122 F125 I138 A143 S144 L145 | T122-L147 HydrophobicContact CG2-CD2 4.18Å; F125-L147 HydrophobicContact CD1-CD1 4.08Å; F125-L147 HydrophobicContact CD1-CD2 4.24Å; F125-L147 HydrophobicContact CE1-CD1 3.88Å; I138-L147 HydrophobicContact CD1-CD1 4.06Å; A143-L147 WeakPolarHBondContact O-CB 3.5Å; A143-L147 VanDerWaalsContact O-CG 3.29Å; A143-L147 WeakPolarHBondContact O-CG 3.35Å; A143-L147 PolarHBondContact O-N 3.24Å; S144-L147 PolarHBondContact O-N 3.17Å; L145-L147 PolarHBondContact O-N 3.28Å |
| 148 | F | 84.9 | Confident | 86.9 | Confident | 23 Ų | 23 | 29.1 Ų | 29.1 | 10% | 0.101 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -74.8 | -40.2 | 178 | -166.5 | -83 | 0 | 0 | 0 | 112.9 | M54 R123 S144 L145 M146 P151 F152 R325 | M54-F148 HydrophobicContact CG-CE2 4.41Å; R123-F148 PolarHBondContact NH1-O 2.89Å; R123-F148 PolarHBondContact NH2-O 3.06Å; S144-F148 PolarHBondContact O-N 3.32Å; L145-F148 PolarHBondContact O-N 3.2Å; M146-F148 VanDerWaalsContact C-N 3.29Å; M146-F148 PolarHBondContact O-N 3.01Å; F148-P151 WeakPolarHBondContact O-CD 3.02Å; F148-F152 HydrophobicContact CD1-CE2 4.29Å; F148-F152 HydrophobicContact CE1-CE2 4.19Å; F148-F152 HydrophobicContact CE1-CZ 4.21Å; F148-R325 VanDerWaalsContact CE2-NH2 3.33Å |
| 149 | E | 89 | Confident | 87.9 | Confident | 3 Ų | 3 | 27.5 Ų | 27.5 | 1% | 0.014 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -87.8 | -26.2 | -175.7 | -64.4 | -75.2 | 123 | 0 | 0 | 113.1 | L145 M146 P151 F152 P153 S220 R221 | L145-E149 HydrophobicContact CD1-CG 4.17Å; L145-E149 PolarHBondContact O-N 3.2Å; M146-E149 PolarHBondContact O-N 3.08Å; E149-P151 VanDerWaalsContact O-N 3.16Å; E149-F152 HydrophobicContact CB-CD2 4.45Å; E149-F152 WeakPolarHBondContact O-CD2 3.5Å; E149-F152 PolarHBondContact O-N 3.05Å; E149-F152 VanDerWaalsContact O-N 3.15Å; E149-P153 WeakPolarHBondContact O-CD 3.39Å; E149-S220 WeakPolarHBondContact OE2-CB 3.32Å; E149-S220 PolarHBondContact OE2-OG 2.77Å; E149-R221 IonicContact OE1-CZ 3.46Å; E149-R221 IonicContact OE1-NE 3.85Å; E149-R221 PolarHBondContact OE1-NE 3.32Å; E149-R221 IonicContact OE1-NH2 2.82Å; E149-R221 PolarHBondContact OE1-NH2 2.76Å |
| 150 | A | 90.9 | Very high | 89 | Confident | 12 Ų | 12 | 21.5 Ų | 21.5 | 10% | 0.099 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -35 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | T122 M146 F152 P153 C154 F197 | T122-A150 HydrophobicContact CG2-CB 4.42Å; M146-A150 WeakPolarHBondContact O-CB 3.23Å; M146-A150 PolarHBondContact O-N 2.71Å; A150-F152 VanDerWaalsContact C-N 3.32Å; A150-F152 PolarHBondContact O-N 3.39Å; A150-P153 WeakPolarHBondContact O-CD 3.49Å; A150-P153 WeakPolarHBondContact O-CG 3.37Å; A150-C154 PolarHBondContact O-SG 2.95Å; A150-C154 VanDerWaalsContact O-SG 3.37Å; A150-F197 HydrophobicContact CB-CE1 4.2Å; A150-F197 HydrophobicContact CB-CZ 3.69Å |
| 151 | P | 93.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.9 | -29.8 | 179.2 | -27.5 | 39.6 | 0 | 0 | 0 | 114.3 | A119 R123 F148 E149 C154 L155 | A119-P151 HydrophobicContact CB-CB 4.27Å; R123-P151 HydrophobicContact CG-CB 4.08Å; R123-P151 HydrophobicContact CG-CG 3.7Å; F148-P151 WeakPolarHBondContact O-CD 3.02Å; E149-P151 VanDerWaalsContact O-N 3.16Å; P151-C154 PolarHBondContact O-N 3.48Å; P151-L155 WeakPolarHBondContact O-CB 3.14Å; P151-L155 VanDerWaalsContact O-CG 3.29Å; P151-L155 WeakPolarHBondContact O-CG 3.48Å; P151-L155 PolarHBondContact O-N 2.92Å |
| 152 | F | 93.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 16.7 Ų | 16.7 | 1% | 0.009 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.2 | -50.4 | -175.7 | -58.6 | -53.8 | 0 | 0 | 0 | 114 | R123 F148 E149 A150 C154 T156 H192 F224 Q295 E328 | R123-F152 VanDerWaalsContact NH2-CZ 3.3Å; F148-F152 HydrophobicContact CD1-CE2 4.29Å; F148-F152 HydrophobicContact CE1-CE2 4.19Å; F148-F152 HydrophobicContact CE1-CZ 4.21Å; E149-F152 HydrophobicContact CB-CD2 4.45Å; E149-F152 WeakPolarHBondContact O-CD2 3.5Å; E149-F152 PolarHBondContact O-N 3.05Å; E149-F152 VanDerWaalsContact O-N 3.15Å; A150-F152 VanDerWaalsContact C-N 3.32Å; A150-F152 PolarHBondContact O-N 3.39Å; F152-C154 VanDerWaalsContact C-N 3.34Å; F152-T156 PolarHBondContact O-N 2.96Å; F152-T156 PolarHBondContact O-OG1 3.17Å; F152-H192 PolarHBondContact O-CE1 2.9Å; F152-F224 HydrophobicContact CB-CB 4.13Å; F152-F224 HydrophobicContact CB-CD2 3.58Å; F152-F224 HydrophobicContact CB-CE2 4.2Å; F152-F224 HydrophobicContact CB-CG 3.92Å; F152-F224 HydrophobicContact CD1-CD1 4.12Å; F152-F224 AromaticContact CD1-CD2 3.96Å; F152-F224 HydrophobicContact CD1-CD2 3.96Å; F152-F224 HydrophobicContact CD1-CE1 4.13Å; F152-F224 AromaticContact CD1-CE2 3.96Å; F152-F224 HydrophobicContact CD1-CE2 3.96Å; F152-F224 HydrophobicContact CD1-CG 4.04Å; F152-F224 HydrophobicContact CD1-CZ 4.05Å; F152-F224 HydrophobicContact CG-CD2 4.12Å; F152-F224 HydrophobicContact CG-CG 4.15Å; F152-Q295 HydrophobicContact CE1-CG 4.45Å; F152-E328 WeakPolarHBondContact CE1-OE1 3.36Å |
| 153 | P | 94.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.1 | -33.6 | 174.4 | 27.3 | -35.4 | 0 | 0 | 0 | 112.6 | E149 A150 T156 A157 H192 F193 A196 F197 | E149-P153 WeakPolarHBondContact O-CD 3.39Å; A150-P153 WeakPolarHBondContact O-CD 3.49Å; A150-P153 WeakPolarHBondContact O-CG 3.37Å; P153-T156 WeakPolarHBondContact CA-OG1 3.13Å; P153-T156 PolarHBondContact O-OG1 2.86Å; P153-T156 VanDerWaalsContact O-OG1 3.08Å; P153-A157 WeakPolarHBondContact O-CB 3.33Å; P153-A157 PolarHBondContact O-N 2.68Å; P153-H192 WeakPolarHBondContact CA-ND1 2.75Å; P153-F193 HydrophobicContact CB-CD1 4.1Å; P153-F193 HydrophobicContact CB-CD2 3.73Å; P153-F193 HydrophobicContact CB-CE1 4.1Å; P153-F193 HydrophobicContact CB-CE2 3.74Å; P153-F193 HydrophobicContact CB-CG 3.9Å; P153-F193 HydrophobicContact CB-CZ 3.91Å; P153-F193 HydrophobicContact CG-CD1 4.12Å; P153-F193 HydrophobicContact CG-CE1 4Å; P153-F193 HydrophobicContact CG-CE2 4.5Å; P153-F193 HydrophobicContact CG-CG 4.39Å; P153-F193 HydrophobicContact CG-CZ 4.19Å; P153-A196 HydrophobicContact CG-CB 4.03Å; P153-F197 HydrophobicContact CG-CE2 4.17Å |
| 154 | C | 95.6 | Very high | 91.2 | Very high | 8 Ų | 8 | 13.4 Ų | 13.4 | 5% | 0.054 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.1 | -46.6 | 175.1 | -68.6 | 0 | 0 | 0 | 0 | 112.9 | F115 A119 A150 P151 F152 A157 A158 | F115-C154 HydrophobicContact CB-CB 4.35Å; F115-C154 HydrophobicContact CD1-CB 4.41Å; A119-C154 HydrophobicContact CB-CB 3.82Å; A150-C154 PolarHBondContact O-SG 2.95Å; A150-C154 VanDerWaalsContact O-SG 3.37Å; P151-C154 PolarHBondContact O-N 3.48Å; F152-C154 VanDerWaalsContact C-N 3.34Å; C154-A157 PolarHBondContact O-N 3.43Å; C154-A158 WeakPolarHBondContact O-CB 3.16Å; C154-A158 PolarHBondContact O-N 2.75Å |
| 155 | L | 95.1 | Very high | 91.5 | Very high | 10 Ų | 10 | 12 Ų | 12 | 5% | 0.052 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63.3 | -44.6 | 179.3 | -75 | 170.8 | 0 | 0 | 0 | 112.2 | A119 P151 A158 F159 E328 V331 C332 | A119-L155 HydrophobicContact CB-CD2 4.46Å; A119-L155 HydrophobicContact CB-CG 4.34Å; P151-L155 WeakPolarHBondContact O-CB 3.14Å; P151-L155 VanDerWaalsContact O-CG 3.29Å; P151-L155 WeakPolarHBondContact O-CG 3.48Å; P151-L155 PolarHBondContact O-N 2.92Å; L155-A158 PolarHBondContact O-N 2.96Å; L155-F159 WeakPolarHBondContact O-CB 3.21Å; L155-F159 PolarHBondContact O-N 2.93Å; L155-E328 HydrophobicContact CD1-CB 4.43Å; L155-E328 HydrophobicContact CD1-CG 4.09Å; L155-V331 HydrophobicContact CD2-CB 4.44Å; L155-V331 HydrophobicContact CD2-CG1 4.09Å; L155-C332 HydrophobicContact CD2-CB 4.09Å |
| 156 | T | 95.4 | Very high | 91.7 | Very high | 6 Ų | 6 | 10.7 Ų | 10.7 | 4% | 0.037 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -67.3 | -38.5 | 177.8 | 50.3 | 0 | 0 | 0 | 0 | 112.5 | F152 P153 G160 H192 F224 L227 A228 | F152-T156 PolarHBondContact O-N 2.96Å; F152-T156 PolarHBondContact O-OG1 3.17Å; P153-T156 WeakPolarHBondContact CA-OG1 3.13Å; P153-T156 PolarHBondContact O-OG1 2.86Å; P153-T156 VanDerWaalsContact O-OG1 3.08Å; T156-G160 PolarHBondContact O-N 3.15Å; T156-H192 PolarHBondContact OG1-CE1 3.35Å; T156-H192 PolarHBondContact OG1-ND1 3.06Å; T156-F224 HydrophobicContact CG2-CD2 3.7Å; T156-F224 HydrophobicContact CG2-CE2 3.8Å; T156-L227 HydrophobicContact CG2-CD2 4.21Å; T156-L227 HydrophobicContact CG2-CG 4.46Å; T156-A228 HydrophobicContact CG2-CB 4.19Å |
| 157 | A | 95.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -63.3 | -45.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F115 P153 C154 G160 L161 V189 | F115-A157 HydrophobicContact CD1-CB 4.29Å; F115-A157 HydrophobicContact CD2-CB 3.8Å; F115-A157 HydrophobicContact CE1-CB 4.25Å; F115-A157 HydrophobicContact CE2-CB 3.76Å; F115-A157 HydrophobicContact CG-CB 4.08Å; F115-A157 HydrophobicContact CZ-CB 3.99Å; P153-A157 WeakPolarHBondContact O-CB 3.33Å; P153-A157 PolarHBondContact O-N 2.68Å; C154-A157 PolarHBondContact O-N 3.43Å; A157-G160 PolarHBondContact O-N 3.32Å; A157-L161 WeakPolarHBondContact O-CB 3.36Å; A157-L161 VanDerWaalsContact O-CG 3.31Å; A157-L161 WeakPolarHBondContact O-CG 3.42Å; A157-L161 PolarHBondContact O-N 3.35Å; A157-V189 HydrophobicContact CB-CB 4.45Å; A157-V189 HydrophobicContact CB-CG1 3.84Å; A157-V189 HydrophobicContact CB-CG2 3.68Å |
| 158 | A | 96.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -60.3 | -47.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | V112 F115 L116 C154 L155 L161 V162 L335 | V112-A158 HydrophobicContact CG1-CB 4.27Å; F115-A158 HydrophobicContact CB-CB 4.09Å; L116-A158 HydrophobicContact CD2-CB 3.98Å; L116-A158 HydrophobicContact CG-CB 4.14Å; C154-A158 WeakPolarHBondContact O-CB 3.16Å; C154-A158 PolarHBondContact O-N 2.75Å; L155-A158 PolarHBondContact O-N 2.96Å; A158-L161 PolarHBondContact O-N 3.3Å; A158-V162 WeakPolarHBondContact O-CG2 3.21Å; A158-V162 PolarHBondContact O-N 2.91Å; A158-L335 HydrophobicContact CB-CD1 4.03Å |
| 159 | F | 95.8 | Very high | 90.1 | Very high | 3 Ų | 3 | 12 Ų | 12 | 1% | 0.013 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -61.2 | -46.3 | 176.9 | -176.9 | -83.9 | 0 | 0 | 0 | 111.7 | L155 L161 V162 F163 L231 Y235 V281 S284 A285 L335 | L155-F159 WeakPolarHBondContact O-CB 3.21Å; L155-F159 PolarHBondContact O-N 2.93Å; F159-L161 PolarHBondContact O-N 3.48Å; F159-V162 PolarHBondContact O-N 3.29Å; F159-F163 WeakPolarHBondContact O-CB 3.32Å; F159-F163 PolarHBondContact O-N 3.45Å; F159-L231 HydrophobicContact CD1-CB 3.83Å; F159-L231 HydrophobicContact CD1-CD2 4.16Å; F159-L231 HydrophobicContact CD1-CG 4.36Å; F159-L231 HydrophobicContact CE1-CB 3.85Å; F159-Y235 HydrophobicContact CZ-CG 4.12Å; F159-V281 HydrophobicContact CE2-CG1 4.1Å; F159-V281 HydrophobicContact CZ-CG1 4.36Å; F159-S284 WeakPolarHBondContact CD2-OG 3.35Å; F159-S284 WeakPolarHBondContact CE2-OG 3.42Å; F159-A285 HydrophobicContact CE2-CB 3.87Å; F159-A285 HydrophobicContact CZ-CB 3.79Å; F159-L335 HydrophobicContact CB-CD1 4.09Å; F159-L335 HydrophobicContact CD2-CD2 4.26Å |
| 160 | G | 93.8 | Very high | 88.7 | Confident | 2 Ų | 2 | 12.7 Ų | 12.7 | 2% | 0.021 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -63.1 | -37.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T156 A157 F163 L164 L185 | T156-G160 PolarHBondContact O-N 3.15Å; A157-G160 PolarHBondContact O-N 3.32Å; G160-F163 PolarHBondContact O-N 3.25Å; G160-L164 PolarHBondContact O-N 2.86Å; G160-L185 WeakPolarHBondContact O-CD2 3.19Å |
| 161 | L | 93.2 | Very high | 87 | Confident | 16 Ų | 16 | 22.4 Ų | 22.4 | 8% | 0.084 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -68.4 | -40.1 | 175 | -76.3 | 172.2 | 0 | 0 | 0 | 112.6 | Y108 L111 V112 F115 A157 A158 F159 L164 L165 L185 | Y108-L161 HydrophobicContact CD1-CD2 4.01Å; L111-L161 HydrophobicContact CB-CD1 3.75Å; V112-L161 HydrophobicContact CG2-CB 3.5Å; V112-L161 HydrophobicContact CG2-CD1 4.09Å; V112-L161 HydrophobicContact CG2-CG 4.47Å; F115-L161 HydrophobicContact CD2-CD1 3.81Å; F115-L161 HydrophobicContact CE2-CD1 3.72Å; A157-L161 WeakPolarHBondContact O-CB 3.36Å; A157-L161 VanDerWaalsContact O-CG 3.31Å; A157-L161 WeakPolarHBondContact O-CG 3.42Å; A157-L161 PolarHBondContact O-N 3.35Å; A158-L161 PolarHBondContact O-N 3.3Å; F159-L161 PolarHBondContact O-N 3.48Å; L161-L164 PolarHBondContact O-N 3.34Å; L161-L165 PolarHBondContact O-N 3.21Å; L161-L185 HydrophobicContact CD2-CD2 3.88Å; L161-L185 HydrophobicContact CG-CD2 4.22Å |
| 162 | V | 92.8 | Very high | 85 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66.2 | -40.2 | 174.2 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | V112 A158 F159 L164 L165 L166 V281 L335 V338 | V112-V162 HydrophobicContact CB-CG2 4.38Å; V112-V162 HydrophobicContact CG1-CG2 3.71Å; V112-V162 HydrophobicContact CG2-CG2 3.75Å; A158-V162 WeakPolarHBondContact O-CG2 3.21Å; A158-V162 PolarHBondContact O-N 2.91Å; F159-V162 PolarHBondContact O-N 3.29Å; V162-L164 PolarHBondContact O-N 2.89Å; V162-L165 WeakPolarHBondContact O-CB 3.26Å; V162-L165 PolarHBondContact O-N 3.47Å; V162-L166 HydrophobicContact CG1-CD1 3.96Å; V162-L166 VanDerWaalsContact O-CD1 3.3Å; V162-L166 WeakPolarHBondContact O-CD1 3.5Å; V162-L166 PolarHBondContact O-N 3.24Å; V162-V281 HydrophobicContact CG1-CG1 4.45Å; V162-V281 HydrophobicContact CG1-CG2 3.43Å; V162-V281 VanDerWaalsContact CG1-CG2 3.43Å; V162-L335 HydrophobicContact CB-CD2 3.99Å; V162-L335 HydrophobicContact CG1-CD2 4.07Å; V162-L335 HydrophobicContact CG2-CD2 3.99Å; V162-V338 HydrophobicContact CG1-CB 4.48Å; V162-V338 HydrophobicContact CG1-CG1 3.79Å |
| 163 | F | 91.1 | Very high | 82.7 | Confident | 20 Ų | 20 | 31.5 Ų | 31.5 | 9% | 0.088 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.5 | -44 | 172.5 | 175.7 | -146.9 | 0 | 0 | 0 | 111.9 | F159 G160 L165 L166 S167 A234 Y235 F238 | F159-F163 WeakPolarHBondContact O-CB 3.32Å; F159-F163 PolarHBondContact O-N 3.45Å; G160-F163 PolarHBondContact O-N 3.25Å; F163-L165 PolarHBondContact O-N 2.89Å; F163-L166 PolarHBondContact O-N 3.23Å; F163-S167 WeakPolarHBondContact O-CB 3.36Å; F163-S167 PolarHBondContact O-N 3.4Å; F163-S167 PolarHBondContact O-OG 2.93Å; F163-A234 HydrophobicContact CE1-CB 3.91Å; F163-A234 HydrophobicContact CZ-CB 4.22Å; F163-Y235 HydrophobicContact CB-CD2 4.49Å; F163-Y235 AromaticContact CD2-CD2 3.61Å; F163-Y235 HydrophobicContact CD2-CD2 3.61Å; F163-Y235 HydrophobicContact CD2-CE2 4.33Å; F163-Y235 HydrophobicContact CE2-CD2 4.09Å; F163-Y235 HydrophobicContact CG-CD2 4.2Å; F163-F238 HydrophobicContact CD2-CD1 4.39Å; F163-F238 HydrophobicContact CE2-CB 3.76Å; F163-F238 AromaticContact CE2-CD1 3.83Å; F163-F238 HydrophobicContact CE2-CD1 3.83Å; F163-F238 HydrophobicContact CE2-CD2 4.25Å; F163-F238 AromaticContact CE2-CG 3.69Å; F163-F238 HydrophobicContact CE2-CG 3.69Å; F163-F238 HydrophobicContact CZ-CB 4.13Å; F163-F238 HydrophobicContact CZ-CG 4.45Å |
| 164 | L | 88.9 | Confident | 80.3 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.2 | -50 | 172.9 | -171.9 | 154.4 | 0 | 0 | 0 | 110.8 | Y108 G160 L161 V162 L166 S167 M168 P182 L185 | Y108-L164 HydrophobicContact CE1-CD2 4.36Å; G160-L164 PolarHBondContact O-N 2.86Å; L161-L164 PolarHBondContact O-N 3.34Å; V162-L164 PolarHBondContact O-N 2.89Å; L164-L166 VanDerWaalsContact C-N 3.34Å; L164-L166 PolarHBondContact O-N 2.94Å; L164-S167 WeakPolarHBondContact CA-OG 3.46Å; L164-S167 PolarHBondContact O-N 3.37Å; L164-S167 VanDerWaalsContact O-N 3.13Å; L164-S167 PolarHBondContact O-OG 3.46Å; L164-M168 HydrophobicContact CD2-CG 3.72Å; L164-M168 HydrophobicContact CD2-SD 4.45Å; L164-M168 HydrophobicContact CG-CG 4.47Å; L164-M168 VanDerWaalsContact O-CG 3.26Å; L164-M168 WeakPolarHBondContact O-CG 3.4Å; L164-M168 PolarHBondContact O-N 2.87Å; L164-P182 HydrophobicContact CD1-CB 4.1Å; L164-L185 HydrophobicContact CB-CD2 4.08Å; L164-L185 HydrophobicContact CD1-CD2 3.78Å |
| 165 | L | 87.1 | Confident | 78 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.8 | -43.4 | 177.9 | -80.7 | 169 | 0 | 0 | 0 | 113.3 | Y108 F109 L161 V162 F163 P267 | Y108-L165 HydrophobicContact CD2-CD2 4.24Å; Y108-L165 HydrophobicContact CG-CD2 4.31Å; F109-L165 HydrophobicContact CD1-CD1 3.91Å; F109-L165 HydrophobicContact CE1-CD1 3.79Å; F109-L165 HydrophobicContact CE2-CD1 4.45Å; F109-L165 HydrophobicContact CE2-CD2 4.37Å; F109-L165 HydrophobicContact CG-CD1 4.3Å; F109-L165 HydrophobicContact CZ-CD1 4.07Å; F109-L165 HydrophobicContact CZ-CD2 4.44Å; L161-L165 PolarHBondContact O-N 3.21Å; V162-L165 WeakPolarHBondContact O-CB 3.26Å; V162-L165 PolarHBondContact O-N 3.47Å; F163-L165 PolarHBondContact O-N 2.89Å; L165-P267 HydrophobicContact CD2-CB 4.18Å; L165-P267 HydrophobicContact CD2-CG 3.84Å |
| 166 | L | 85.9 | Confident | 75.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.2 | -35.5 | 177.7 | -91.4 | 70.8 | 0 | 0 | 0 | 112.6 | V162 F163 L164 Y235 F238 F268 W274 A277 A278 V281 | V162-L166 HydrophobicContact CG1-CD1 3.96Å; V162-L166 VanDerWaalsContact O-CD1 3.3Å; V162-L166 WeakPolarHBondContact O-CD1 3.5Å; V162-L166 PolarHBondContact O-N 3.24Å; F163-L166 PolarHBondContact O-N 3.23Å; L164-L166 VanDerWaalsContact C-N 3.34Å; L164-L166 PolarHBondContact O-N 2.94Å; L166-Y235 HydrophobicContact CD2-CE2 4.12Å; L166-F238 HydrophobicContact CB-CE1 4.47Å; L166-F268 HydrophobicContact CD1-CD2 4.42Å; L166-F268 HydrophobicContact CD1-CE2 3.97Å; L166-F268 HydrophobicContact CD1-CZ 4.44Å; L166-W274 PolarHBondContact O-NE1 2.95Å; L166-W274 VanDerWaalsContact O-NE1 3.17Å; L166-A277 HydrophobicContact CD1-CB 4.47Å; L166-A278 HydrophobicContact CD2-CB 3.97Å; L166-V281 HydrophobicContact CD1-CG2 4.32Å; L166-V281 HydrophobicContact CD2-CB 4.22Å; L166-V281 HydrophobicContact CD2-CG2 3.95Å |
| 167 | S | 79.6 | Confident | 73.8 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 3% | 0.028 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -76.3 | -24.1 | 179.6 | 69.2 | 0 | 0 | 0 | 0 | 114.2 | F163 L164 R169 S170 | F163-S167 WeakPolarHBondContact O-CB 3.36Å; F163-S167 PolarHBondContact O-N 3.4Å; F163-S167 PolarHBondContact O-OG 2.93Å; L164-S167 WeakPolarHBondContact CA-OG 3.46Å; L164-S167 PolarHBondContact O-N 3.37Å; L164-S167 VanDerWaalsContact O-N 3.13Å; L164-S167 PolarHBondContact O-OG 3.46Å; S167-R169 VanDerWaalsContact C-N 3.28Å; S167-R169 PolarHBondContact O-N 3.45Å; S167-S170 PolarHBondContact O-N 3.42Å; S167-S170 PolarHBondContact O-OG 3.31Å |
| 168 | M | 75.3 | Confident | 71.9 | Confident | 97 Ų | 97 | 52.4 Ų | 52.4 | 48% | 0.478 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.9 | -24.1 | 175.8 | -72.2 | -71.6 | -76.6 | 0 | 0 | 113.4 | L164 | L164-M168 HydrophobicContact CD2-CG 3.72Å; L164-M168 HydrophobicContact CD2-SD 4.45Å; L164-M168 HydrophobicContact CG-CG 4.47Å; L164-M168 VanDerWaalsContact O-CG 3.26Å; L164-M168 WeakPolarHBondContact O-CG 3.4Å; L164-M168 PolarHBondContact O-N 2.87Å |
| 169 | R | 67.9 | Low | 70.2 | Confident | 59 Ų | 59 | 55.6 Ų | 55.6 | 22% | 0.223 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.1 | -45.3 | 173.8 | -174.5 | -154.8 | 167.8 | 120.2 | 4.1 | 111.3 | S167 R171 F268 A269 E270 | S167-R169 VanDerWaalsContact C-N 3.28Å; S167-R169 PolarHBondContact O-N 3.45Å; R169-R171 PolarHBondContact O-N 2.86Å; R169-F268 WeakPolarHBondContact CD-O 3.47Å; R169-F268 PolarHBondContact NH1-O 3.38Å; R169-A269 PolarHBondContact NH1-O 2.97Å; R169-A269 PolarHBondContact NH2-O 2.87Å; R169-E270 PolarHBondContact NH1-O 2.85Å |
| 170 | S | 60.2 | Low | 68.9 | Low | 18 Ų | 18 | 57.4 Ų | 57.4 | 13% | 0.126 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -80.7 | 113.9 | -176.3 | 54.8 | 0 | 0 | 0 | 0 | 110.3 | S167 M172 F238 | S167-S170 PolarHBondContact O-N 3.42Å; S167-S170 PolarHBondContact O-OG 3.31Å; S170-M172 WeakPolarHBondContact CB-SD 3.37Å; S170-M172 PolarHBondContact O-N 2.79Å; S170-F238 VanDerWaalsContact OG-CE2 3.31Å; S170-F238 WeakPolarHBondContact OG-CE2 2.96Å; S170-F238 WeakPolarHBondContact OG-CZ 3.38Å |
| 171 | R | 55.8 | Low | 68.2 | Low | 216 Ų | 216 | 64.2 Ų | 64.2 | 82% | 0.815 | 30% | 0.3 | S | S | * | . | trans | -72.1 | 46.4 | 175.2 | -65.2 | -176.7 | 172.1 | -137.9 | -4.2 | 112.4 | R169 Q173 | R169-R171 PolarHBondContact O-N 2.86Å; R171-Q173 PolarHBondContact O-N 2.94Å | ||
| 172 | M | 50.9 | Low | 67.7 | Low | 14 Ų | 14 | 66.6 Ų | 66.6 | 7% | 0.069 | 32% | 0.317 | C | S | . | . | trans | -84.4 | 115.8 | -171.1 | -75.7 | 163 | 77.8 | 0 | 0 | 111.3 | S170 L174 S175 F238 Y241 V242 | S170-M172 WeakPolarHBondContact CB-SD 3.37Å; S170-M172 PolarHBondContact O-N 2.79Å; M172-L174 PolarHBondContact O-N 2.9Å; M172-S175 PolarHBondContact O-N 2.68Å; M172-S175 PolarHBondContact O-OG 2.91Å; M172-F238 HydrophobicContact SD-CE2 4.07Å; M172-Y241 HydrophobicContact CE-CD1 3Å; M172-Y241 HydrophobicContact CE-CE1 3.28Å; M172-Y241 HydrophobicContact CE-CG 3.74Å; M172-V242 HydrophobicContact CE-CB 4.38Å; M172-V242 HydrophobicContact CE-CG2 3.71Å; M172-V242 HydrophobicContact SD-CB 4.32Å; M172-V242 HydrophobicContact SD-CG2 3.43Å; M172-V242 WeakPolarHBondContact SD-CG2 3.4Å | ||
| 173 | Q | 45.1 | Very low | 67.3 | Low | 179 Ų | 179 | 70.9 Ų | 70.9 | 84% | 0.836 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -61.2 | -24.1 | -177.9 | -67.1 | 169.7 | -28.4 | 0 | 0 | 113.2 | R171 S175 | R171-Q173 PolarHBondContact O-N 2.94Å; Q173-S175 VanDerWaalsContact C-N 3.26Å; Q173-S175 PolarHBondContact O-N 3.04Å |
| 174 | L | 45 | Very low | 67.1 | Low | 129 Ų | 129 | 73.5 Ų | 73.5 | 68% | 0.675 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -68.5 | -17.4 | -176.5 | -148.9 | 80.5 | 0 | 0 | 0 | 114.5 | M172 Y241 | M172-L174 PolarHBondContact O-N 2.9Å; L174-Y241 HydrophobicContact CB-CD1 4.26Å; L174-Y241 HydrophobicContact CB-CE1 3.55Å; L174-Y241 HydrophobicContact CD2-CD1 3.72Å; L174-Y241 HydrophobicContact CD2-CE1 3.63Å; L174-Y241 HydrophobicContact CD2-CG 4.43Å; L174-Y241 HydrophobicContact CG-CE1 4.11Å |
| 175 | S | 47.7 | Very low | 67.1 | Low | 28 Ų | 28 | 74.1 Ų | 74.1 | 20% | 0.196 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -109.7 | 11.1 | -176.7 | 62.1 | 0 | 0 | 0 | 0 | 115.1 | M172 Q173 S177 Q180 | M172-S175 PolarHBondContact O-N 2.68Å; M172-S175 PolarHBondContact O-OG 2.91Å; Q173-S175 VanDerWaalsContact C-N 3.26Å; Q173-S175 PolarHBondContact O-N 3.04Å; S175-S177 PolarHBondContact O-N 3.4Å; S175-S177 VanDerWaalsContact O-N 3.14Å; S175-Q180 VanDerWaalsContact OG-CD 3.23Å; S175-Q180 PolarHBondContact OG-NE2 3.45Å |
| 176 | Y | 47.4 | Very low | 67.2 | Low | 186 Ų | 186 | 76.3 Ų | 76.3 | 73% | 0.729 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -15 | -173.9 | -164.7 | -106.3 | 0 | 0 | 0 | 115.2 | ||
| 177 | S | 54.8 | Low | 67.5 | Low | 93 Ų | 93 | 79.6 Ų | 79.6 | 65% | 0.65 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -50 | -172.4 | -168.2 | 0 | 0 | 0 | 0 | 114.4 | S175 R181 | S175-S177 PolarHBondContact O-N 3.4Å; S175-S177 VanDerWaalsContact O-N 3.14Å; S177-R181 PolarHBondContact O-NE 3.45Å; S177-R181 PolarHBondContact O-NH2 3.41Å |
| 178 | A | 56.5 | Low | 68 | Low | 28 Ų | 28 | 81.4 Ų | 81.4 | 23% | 0.231 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -133 | -51.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115 | Q180 R181 F184 | A178-Q180 PolarHBondContact O-N 3.45Å; A178-R181 WeakPolarHBondContact O-CB 3.32Å; A178-R181 PolarHBondContact O-N 2.99Å; A178-R181 VanDerWaalsContact O-N 3.12Å; A178-F184 HydrophobicContact CB-CD1 4.41Å; A178-F184 HydrophobicContact CB-CG 4.49Å |
| 179 | F | 59.2 | Low | 68.8 | Low | 66 Ų | 66 | 77.7 Ų | 77.7 | 29% | 0.289 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -29 | -165.9 | -74 | -80.4 | 0 | 0 | 0 | 115.6 | R181 F184 F230 | F179-R181 PolarHBondContact O-N 3.12Å; F179-F184 HydrophobicContact CD1-CD1 4.45Å; F179-F184 HydrophobicContact CD1-CE1 4.23Å; F179-F184 HydrophobicContact CE1-CD1 4.17Å; F179-F184 AromaticContact CE1-CE1 3.53Å; F179-F184 HydrophobicContact CE1-CE1 3.53Å; F179-F184 HydrophobicContact CE2-CE1 4.31Å; F179-F184 HydrophobicContact CZ-CD1 4.39Å; F179-F184 AromaticContact CZ-CE1 3.51Å; F179-F184 HydrophobicContact CZ-CE1 3.51Å; F179-F184 HydrophobicContact CZ-CZ 4.17Å; F179-F230 AromaticContact CE1-CE1 3.61Å; F179-F230 HydrophobicContact CE1-CE1 3.61Å; F179-F230 AromaticContact CE1-CZ 4Å; F179-F230 HydrophobicContact CE1-CZ 4Å; F179-F230 HydrophobicContact CE2-CZ 4.14Å; F179-F230 AromaticContact CZ-CE1 3.4Å; F179-F230 HydrophobicContact CZ-CE1 3.4Å; F179-F230 AromaticContact CZ-CZ 3.35Å; F179-F230 HydrophobicContact CZ-CZ 3.35Å |
| 180 | Q | 69 | Low | 70.1 | Confident | 42 Ų | 42 | 79.5 Ų | 79.5 | 20% | 0.196 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -9.8 | 173.2 | -70.4 | 178.2 | -27 | 0 | 0 | 113 | S175 A178 P182 | S175-Q180 VanDerWaalsContact OG-CD 3.23Å; S175-Q180 PolarHBondContact OG-NE2 3.45Å; A178-Q180 PolarHBondContact O-N 3.45Å; Q180-P182 VanDerWaalsContact O-CD 3.28Å; Q180-P182 WeakPolarHBondContact O-CD 3.39Å |
| 181 | R | 79.4 | Confident | 71.6 | Confident | 145 Ų | 145 | 85 Ų | 85 | 55% | 0.547 | 44% | 0.436 | S | S | . | . | trans | -83.8 | 111.5 | 178.7 | -59.3 | -176 | -176.9 | 179.2 | 5.1 | 109 | S177 A178 F179 C183 F184 L185 | S177-R181 PolarHBondContact O-NE 3.45Å; S177-R181 PolarHBondContact O-NH2 3.41Å; A178-R181 WeakPolarHBondContact O-CB 3.32Å; A178-R181 PolarHBondContact O-N 2.99Å; A178-R181 VanDerWaalsContact O-N 3.12Å; F179-R181 PolarHBondContact O-N 3.12Å; R181-C183 PolarHBondContact O-N 2.94Å; R181-C183 VanDerWaalsContact O-N 3.12Å; R181-F184 HydrophobicContact CB-CB 4.29Å; R181-F184 PolarHBondContact O-N 3.46Å; R181-L185 PolarHBondContact O-N 2.94Å | ||
| 182 | P | 81.6 | Confident | 73.4 | Confident | 65 Ų | 65 | 75 Ų | 75 | 42% | 0.422 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.9 | -27.4 | -179.6 | 25 | -34.5 | 0 | 0 | 0 | 112.2 | L164 Q180 L185 A186 | L164-P182 HydrophobicContact CD1-CB 4.1Å; Q180-P182 VanDerWaalsContact O-CD 3.28Å; Q180-P182 WeakPolarHBondContact O-CD 3.39Å; P182-L185 PolarHBondContact O-N 3.42Å; P182-A186 WeakPolarHBondContact O-CB 3.27Å; P182-A186 PolarHBondContact O-N 3.41Å |
| 183 | C | 86.1 | Confident | 75.5 | Confident | 91 Ų | 91 | 77 Ų | 77 | 62% | 0.615 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -60 | -42.3 | 172.3 | -176 | 0 | 0 | 0 | 0 | 112.8 | R181 A186 C187 | R181-C183 PolarHBondContact O-N 2.94Å; R181-C183 VanDerWaalsContact O-N 3.12Å; C183-A186 PolarHBondContact O-N 3.22Å; C183-C187 PolarHBondContact O-N 3.45Å; C183-C187 PolarHBondContact O-SG 3.4Å |
| 184 | F | 86.5 | Confident | 77.7 | Confident | 75 Ų | 75 | 71.2 Ų | 71.2 | 33% | 0.329 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.3 | -43.3 | 179 | 178.3 | -99.5 | 0 | 0 | 0 | 111.6 | A178 F179 R181 C187 L188 | A178-F184 HydrophobicContact CB-CD1 4.41Å; A178-F184 HydrophobicContact CB-CG 4.49Å; F179-F184 HydrophobicContact CD1-CD1 4.45Å; F179-F184 HydrophobicContact CD1-CE1 4.23Å; F179-F184 HydrophobicContact CE1-CD1 4.17Å; F179-F184 AromaticContact CE1-CE1 3.53Å; F179-F184 HydrophobicContact CE1-CE1 3.53Å; F179-F184 HydrophobicContact CE2-CE1 4.31Å; F179-F184 HydrophobicContact CZ-CD1 4.39Å; F179-F184 AromaticContact CZ-CE1 3.51Å; F179-F184 HydrophobicContact CZ-CE1 3.51Å; F179-F184 HydrophobicContact CZ-CZ 4.17Å; R181-F184 HydrophobicContact CB-CB 4.29Å; R181-F184 PolarHBondContact O-N 3.46Å; F184-C187 PolarHBondContact O-N 3.08Å; F184-L188 HydrophobicContact CD1-CD1 4.11Å; F184-L188 HydrophobicContact CE1-CD1 3.45Å; F184-L188 VanDerWaalsContact CE1-CD1 3.45Å; F184-L188 HydrophobicContact CE1-CG 4.04Å; F184-L188 HydrophobicContact CZ-CD1 3.88Å; F184-L188 HydrophobicContact CZ-CD2 4.32Å; F184-L188 HydrophobicContact CZ-CG 4.12Å; F184-L188 PolarHBondContact O-N 3.47Å |
| 185 | L | 87.6 | Confident | 79.9 | Confident | 18 Ų | 18 | 66.1 Ų | 66.1 | 9% | 0.094 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 173.3 | 179 | 63.6 | 0 | 0 | 0 | 111.4 | G160 L161 L164 R181 P182 C187 L188 V189 | G160-L185 WeakPolarHBondContact O-CD2 3.19Å; L161-L185 HydrophobicContact CD2-CD2 3.88Å; L161-L185 HydrophobicContact CG-CD2 4.22Å; L164-L185 HydrophobicContact CB-CD2 4.08Å; L164-L185 HydrophobicContact CD1-CD2 3.78Å; R181-L185 PolarHBondContact O-N 2.94Å; P182-L185 PolarHBondContact O-N 3.42Å; L185-C187 VanDerWaalsContact C-N 3.34Å; L185-C187 PolarHBondContact O-N 2.99Å; L185-L188 PolarHBondContact O-N 3.04Å; L185-V189 HydrophobicContact CD1-CG2 4.43Å; L185-V189 WeakPolarHBondContact O-CG2 3.48Å; L185-V189 PolarHBondContact O-N 3.05Å |
| 186 | A | 89.9 | Confident | 81.9 | Confident | 50 Ų | 50 | 64.9 Ų | 64.9 | 41% | 0.413 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.2 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | P182 C183 V189 V190 | P182-A186 WeakPolarHBondContact O-CB 3.27Å; P182-A186 PolarHBondContact O-N 3.41Å; C183-A186 PolarHBondContact O-N 3.22Å; A186-V189 PolarHBondContact O-N 3.05Å; A186-V190 WeakPolarHBondContact O-CG2 3.36Å; A186-V190 PolarHBondContact O-N 3.47Å |
| 187 | C | 92.1 | Very high | 83.9 | Confident | 69 Ų | 69 | 58.5 Ų | 58.5 | 47% | 0.466 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 173.5 | -69.9 | 0 | 0 | 0 | 0 | 112.2 | C183 F184 L185 V189 V190 M191 | C183-C187 PolarHBondContact O-N 3.45Å; C183-C187 PolarHBondContact O-SG 3.4Å; F184-C187 PolarHBondContact O-N 3.08Å; L185-C187 VanDerWaalsContact C-N 3.34Å; L185-C187 PolarHBondContact O-N 2.99Å; C187-V189 VanDerWaalsContact C-N 3.33Å; C187-V189 PolarHBondContact O-N 2.64Å; C187-V190 PolarHBondContact O-N 2.82Å; C187-M191 WeakPolarHBondContact O-CB 3.46Å; C187-M191 VanDerWaalsContact O-CG 3.23Å; C187-M191 WeakPolarHBondContact O-CG 3.33Å; C187-M191 PolarHBondContact O-N 3.26Å |
| 188 | L | 91.1 | Very high | 85.4 | Confident | 42 Ų | 42 | 55 Ų | 55 | 22% | 0.22 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.7 | -42 | 175.5 | -72.8 | 179.6 | 0 | 0 | 0 | 112.1 | F184 L185 H192 L227 | F184-L188 HydrophobicContact CD1-CD1 4.11Å; F184-L188 HydrophobicContact CE1-CD1 3.45Å; F184-L188 VanDerWaalsContact CE1-CD1 3.45Å; F184-L188 HydrophobicContact CE1-CG 4.04Å; F184-L188 HydrophobicContact CZ-CD1 3.88Å; F184-L188 HydrophobicContact CZ-CD2 4.32Å; F184-L188 HydrophobicContact CZ-CG 4.12Å; F184-L188 PolarHBondContact O-N 3.47Å; L185-L188 PolarHBondContact O-N 3.04Å; L188-H192 WeakPolarHBondContact O-CB 3.2Å; L188-H192 PolarHBondContact O-N 2.96Å; L188-L227 HydrophobicContact CB-CD1 4.25Å; L188-L227 HydrophobicContact CD1-CD1 4.1Å; L188-L227 HydrophobicContact CD2-CD1 4.34Å; L188-L227 HydrophobicContact CG-CD1 4.48Å |
| 189 | V | 92.2 | Very high | 86.7 | Confident | 19 Ų | 19 | 54.7 Ų | 54.7 | 12% | 0.115 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.3 | -52.8 | 176 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | F115 A157 L185 A186 C187 M191 H192 F193 | F115-V189 HydrophobicContact CZ-CG1 4.46Å; A157-V189 HydrophobicContact CB-CB 4.45Å; A157-V189 HydrophobicContact CB-CG1 3.84Å; A157-V189 HydrophobicContact CB-CG2 3.68Å; L185-V189 HydrophobicContact CD1-CG2 4.43Å; L185-V189 WeakPolarHBondContact O-CG2 3.48Å; L185-V189 PolarHBondContact O-N 3.05Å; A186-V189 PolarHBondContact O-N 3.05Å; C187-V189 VanDerWaalsContact C-N 3.33Å; C187-V189 PolarHBondContact O-N 2.64Å; V189-M191 VanDerWaalsContact C-N 3.33Å; V189-M191 PolarHBondContact O-N 3.49Å; V189-H192 PolarHBondContact O-N 3.15Å; V189-H192 VanDerWaalsContact O-N 3.1Å; V189-F193 HydrophobicContact CG1-CD2 3.63Å; V189-F193 HydrophobicContact CG1-CE2 3.68Å; V189-F193 WeakPolarHBondContact O-CD2 3.4Å; V189-F193 PolarHBondContact O-N 2.73Å |
| 190 | V | 93.8 | Very high | 87.7 | Confident | 97 Ų | 97 | 51.7 Ų | 51.7 | 59% | 0.588 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -58.5 | -43.6 | 179 | 170.8 | 0 | 0 | 0 | 0 | 111.7 | A186 C187 H192 F193 A194 | A186-V190 WeakPolarHBondContact O-CG2 3.36Å; A186-V190 PolarHBondContact O-N 3.47Å; C187-V190 PolarHBondContact O-N 2.82Å; V190-H192 VanDerWaalsContact C-N 3.33Å; V190-H192 PolarHBondContact O-N 3.05Å; V190-F193 PolarHBondContact O-N 2.91Å; V190-A194 WeakPolarHBondContact O-CB 3.33Å; V190-A194 PolarHBondContact O-N 3.46Å |
| 191 | M | 92.4 | Very high | 88.2 | Confident | 133 Ų | 133 | 54.1 Ų | 54.1 | 66% | 0.655 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -62.2 | -38.4 | 176.1 | -74.6 | -62.5 | -60.6 | 0 | 0 | 112.4 | C187 V189 A194 A195 | C187-M191 WeakPolarHBondContact O-CB 3.46Å; C187-M191 VanDerWaalsContact O-CG 3.23Å; C187-M191 WeakPolarHBondContact O-CG 3.33Å; C187-M191 PolarHBondContact O-N 3.26Å; V189-M191 VanDerWaalsContact C-N 3.33Å; V189-M191 PolarHBondContact O-N 3.49Å; M191-A194 PolarHBondContact O-N 2.87Å; M191-A195 WeakPolarHBondContact O-CB 3.28Å; M191-A195 PolarHBondContact O-N 3.33Å |
| 192 | H | 94 | Very high | 88.1 | Confident | 6 Ų | 6 | 52.6 Ų | 52.6 | 3% | 0.028 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -73.2 | -39.3 | 177.4 | -173.1 | -158.5 | 0 | 0 | 0 | 112.3 | F152 P153 T156 L188 V189 V190 A194 A195 A196 F224 L227 | F152-H192 PolarHBondContact O-CE1 2.9Å; P153-H192 WeakPolarHBondContact CA-ND1 2.75Å; T156-H192 PolarHBondContact OG1-CE1 3.35Å; T156-H192 PolarHBondContact OG1-ND1 3.06Å; L188-H192 WeakPolarHBondContact O-CB 3.2Å; L188-H192 PolarHBondContact O-N 2.96Å; V189-H192 PolarHBondContact O-N 3.15Å; V189-H192 VanDerWaalsContact O-N 3.1Å; V190-H192 VanDerWaalsContact C-N 3.33Å; V190-H192 PolarHBondContact O-N 3.05Å; H192-A194 VanDerWaalsContact C-N 3.3Å; H192-A194 PolarHBondContact O-N 3.39Å; H192-A195 PolarHBondContact O-N 3.31Å; H192-A196 WeakPolarHBondContact O-CB 3.41Å; H192-A196 PolarHBondContact O-N 2.96Å; H192-F224 WeakPolarHBondContact NE2-CA 3.3Å; H192-F224 PolarHBondContact NE2-N 3.07Å; H192-L227 HydrophobicContact CB-CD2 3.88Å; H192-L227 WeakPolarHBondContact ND1-CD2 3.34Å |
| 193 | F | 94 | Very high | 87.8 | Confident | 55 Ų | 55 | 50.7 Ų | 50.7 | 24% | 0.241 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.8 | -42.5 | 169.6 | -89.6 | -88.2 | 0 | 0 | 0 | 111.2 | F115 P153 V189 V190 A196 F197 | F115-F193 HydrophobicContact CD1-CZ 4.28Å; F115-F193 AromaticContact CE1-CE2 3.92Å; F115-F193 HydrophobicContact CE1-CE2 3.92Å; F115-F193 AromaticContact CE1-CZ 3.82Å; F115-F193 HydrophobicContact CE1-CZ 3.82Å; P153-F193 HydrophobicContact CB-CD1 4.1Å; P153-F193 HydrophobicContact CB-CD2 3.73Å; P153-F193 HydrophobicContact CB-CE1 4.1Å; P153-F193 HydrophobicContact CB-CE2 3.74Å; P153-F193 HydrophobicContact CB-CG 3.9Å; P153-F193 HydrophobicContact CB-CZ 3.91Å; P153-F193 HydrophobicContact CG-CD1 4.12Å; P153-F193 HydrophobicContact CG-CE1 4Å; P153-F193 HydrophobicContact CG-CE2 4.5Å; P153-F193 HydrophobicContact CG-CG 4.39Å; P153-F193 HydrophobicContact CG-CZ 4.19Å; V189-F193 HydrophobicContact CG1-CD2 3.63Å; V189-F193 HydrophobicContact CG1-CE2 3.68Å; V189-F193 WeakPolarHBondContact O-CD2 3.4Å; V189-F193 PolarHBondContact O-N 2.73Å; V190-F193 PolarHBondContact O-N 2.91Å; F193-A196 PolarHBondContact O-N 3.36Å; F193-F197 AromaticContact CD1-CD2 3.91Å; F193-F197 HydrophobicContact CD1-CD2 3.91Å; F193-F197 AromaticContact CD1-CE2 3.57Å; F193-F197 HydrophobicContact CD1-CE2 3.57Å; F193-F197 AromaticContact CE1-CE2 3.92Å; F193-F197 HydrophobicContact CE1-CE2 3.92Å; F193-F197 WeakPolarHBondContact O-CD2 3.38Å; F193-F197 PolarHBondContact O-N 3.3Å |
| 194 | A | 92.4 | Very high | 87.2 | Confident | 58 Ų | 58 | 53.6 Ų | 53.6 | 48% | 0.479 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | V190 M191 H192 G198 | V190-A194 WeakPolarHBondContact O-CB 3.33Å; V190-A194 PolarHBondContact O-N 3.46Å; M191-A194 PolarHBondContact O-N 2.87Å; H192-A194 VanDerWaalsContact C-N 3.3Å; H192-A194 PolarHBondContact O-N 3.39Å; A194-G198 VanDerWaalsContact O-CA 3.27Å; A194-G198 WeakPolarHBondContact O-CA 3.42Å; A194-G198 PolarHBondContact O-N 3.35Å |
| 195 | A | 91 | Very high | 86.5 | Confident | 23 Ų | 23 | 57.6 Ų | 57.6 | 19% | 0.19 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.1 | -30.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | M191 H192 P199 S220 A223 | M191-A195 WeakPolarHBondContact O-CB 3.28Å; M191-A195 PolarHBondContact O-N 3.33Å; H192-A195 PolarHBondContact O-N 3.31Å; A195-P199 WeakPolarHBondContact O-CD 3.44Å; A195-P199 WeakPolarHBondContact O-CG 3.47Å; A195-S220 WeakPolarHBondContact O-CB 3.3Å; A195-A223 HydrophobicContact CB-CB 3.73Å |
| 196 | A | 89.6 | Confident | 85.6 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 2% | 0.017 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -78.9 | -48.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P153 H192 F193 | P153-A196 HydrophobicContact CG-CB 4.03Å; H192-A196 WeakPolarHBondContact O-CB 3.41Å; H192-A196 PolarHBondContact O-N 2.96Å; F193-A196 PolarHBondContact O-N 3.36Å |
| 197 | F | 89.2 | Confident | 84.5 | Confident | 52 Ų | 52 | 66.4 Ų | 66.4 | 23% | 0.228 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -91.6 | -24.9 | -174.4 | -68 | -72.9 | 0 | 0 | 0 | 114.1 | M146 A150 P153 F193 V200 T201 | M146-F197 HydrophobicContact CB-CE1 4.18Å; M146-F197 HydrophobicContact CG-CD1 4.14Å; M146-F197 HydrophobicContact CG-CE1 4.27Å; M146-F197 HydrophobicContact SD-CD1 4.44Å; A150-F197 HydrophobicContact CB-CE1 4.2Å; A150-F197 HydrophobicContact CB-CZ 3.69Å; P153-F197 HydrophobicContact CG-CE2 4.17Å; F193-F197 AromaticContact CD1-CD2 3.91Å; F193-F197 HydrophobicContact CD1-CD2 3.91Å; F193-F197 AromaticContact CD1-CE2 3.57Å; F193-F197 HydrophobicContact CD1-CE2 3.57Å; F193-F197 AromaticContact CE1-CE2 3.92Å; F193-F197 HydrophobicContact CE1-CE2 3.92Å; F193-F197 WeakPolarHBondContact O-CD2 3.38Å; F193-F197 PolarHBondContact O-N 3.3Å; F197-V200 WeakPolarHBondContact O-CB 3.41Å; F197-V200 PolarHBondContact O-N 3.24Å; F197-T201 PolarHBondContact O-N 3.36Å; F197-T201 VanDerWaalsContact O-N 3.14Å |
| 198 | G | 86.8 | Confident | 83.3 | Confident | 20 Ų | 20 | 71.7 Ų | 71.7 | 21% | 0.206 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -54.4 | -49.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A194 V200 T201 F202 | A194-G198 VanDerWaalsContact O-CA 3.27Å; A194-G198 WeakPolarHBondContact O-CA 3.42Å; A194-G198 PolarHBondContact O-N 3.35Å; G198-V200 PolarHBondContact O-N 2.96Å; G198-V200 VanDerWaalsContact O-N 3.15Å; G198-T201 PolarHBondContact O-N 3.44Å; G198-T201 VanDerWaalsContact O-N 3.15Å; G198-T201 PolarHBondContact O-OG1 2.93Å; G198-F202 WeakPolarHBondContact O-CD2 3.4Å; G198-F202 PolarHBondContact O-N 3.39Å |
| 199 | P | 83.1 | Confident | 82.4 | Confident | 20 Ų | 20 | 72.2 Ų | 72.2 | 13% | 0.13 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -48.8 | -38.9 | 171.4 | -34.6 | 40.7 | 0 | 0 | 0 | 114.6 | A195 L203 L216 | A195-P199 WeakPolarHBondContact O-CD 3.44Å; A195-P199 WeakPolarHBondContact O-CG 3.47Å; P199-L203 PolarHBondContact O-N 2.96Å; P199-L216 HydrophobicContact CB-CB 4.03Å; P199-L216 HydrophobicContact CB-CD2 4.29Å; P199-L216 HydrophobicContact CG-CB 4.22Å; P199-L216 HydrophobicContact CG-CD2 4.46Å; P199-L216 WeakPolarHBondContact CG-O 3.48Å |
| 200 | V | 80.1 | Confident | 81.4 | Confident | 3 Ų | 3 | 74.3 Ų | 74.3 | 2% | 0.018 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -74.1 | -38.4 | -177.7 | -162.4 | 0 | 0 | 0 | 0 | 111.6 | E142 L145 M146 F197 G198 F202 L203 | E142-V200 HydrophobicContact CB-CG1 4.22Å; E142-V200 HydrophobicContact CG-CG1 4.39Å; L145-V200 HydrophobicContact CB-CG1 4.45Å; L145-V200 HydrophobicContact CD2-CB 4.49Å; L145-V200 HydrophobicContact CD2-CG1 4.21Å; L145-V200 HydrophobicContact CD2-CG2 3.88Å; L145-V200 HydrophobicContact CG-CG2 3.94Å; M146-V200 HydrophobicContact CE-CB 4.11Å; M146-V200 HydrophobicContact CE-CG1 3.8Å; M146-V200 HydrophobicContact CG-CB 4.2Å; M146-V200 HydrophobicContact CG-CG1 3.72Å; M146-V200 HydrophobicContact CG-CG2 4.31Å; F197-V200 WeakPolarHBondContact O-CB 3.41Å; F197-V200 PolarHBondContact O-N 3.24Å; G198-V200 PolarHBondContact O-N 2.96Å; G198-V200 VanDerWaalsContact O-N 3.15Å; V200-F202 PolarHBondContact O-N 2.9Å; V200-L203 VanDerWaalsContact O-CB 3.3Å; V200-L203 WeakPolarHBondContact O-CB 3.39Å; V200-L203 PolarHBondContact O-N 3.28Å |
| 201 | T | 80.1 | Confident | 80.7 | Confident | 94 Ų | 94 | 73.2 Ų | 73.2 | 58% | 0.577 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.6 | -27.9 | 178.8 | 58.6 | 0 | 0 | 0 | 0 | 113.1 | F197 G198 | F197-T201 PolarHBondContact O-N 3.36Å; F197-T201 VanDerWaalsContact O-N 3.14Å; G198-T201 PolarHBondContact O-N 3.44Å; G198-T201 VanDerWaalsContact O-N 3.15Å; G198-T201 PolarHBondContact O-OG1 2.93Å |
| 202 | F | 77.4 | Confident | 79.9 | Confident | 113 Ų | 113 | 70.5 Ų | 70.5 | 50% | 0.496 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 3.4 | 178.6 | -59.9 | -71.4 | 0 | 0 | 0 | 114.2 | G198 V200 K204 F205 Y206 | G198-F202 WeakPolarHBondContact O-CD2 3.4Å; G198-F202 PolarHBondContact O-N 3.39Å; V200-F202 PolarHBondContact O-N 2.9Å; F202-K204 VanDerWaalsContact C-N 3.26Å; F202-K204 PolarHBondContact O-N 3.25Å; F202-K204 VanDerWaalsContact O-N 3.16Å; F202-F205 WeakPolarHBondContact O-CB 3.5Å; F202-F205 PolarHBondContact O-N 3.04Å; F202-Y206 HydrophobicContact CB-CD2 3.59Å; F202-Y206 HydrophobicContact CB-CE2 3.29Å; F202-Y206 HydrophobicContact CG-CE2 4.06Å; F202-Y206 WeakPolarHBondContact O-CD2 3.38Å; F202-Y206 PolarHBondContact O-N 3.28Å; F202-Y206 VanDerWaalsContact O-N 3.16Å |
| 203 | L | 73.9 | Confident | 79.1 | Confident | 24 Ų | 24 | 71.2 Ų | 71.2 | 13% | 0.126 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -54.9 | -38.9 | -174.8 | -171.8 | 67.6 | 0 | 0 | 0 | 112.9 | E142 L145 P199 V200 F205 Y206 R207 | E142-L203 HydrophobicContact CG-CD2 3.95Å; L145-L203 HydrophobicContact CD2-CD2 4.21Å; P199-L203 PolarHBondContact O-N 2.96Å; V200-L203 VanDerWaalsContact O-CB 3.3Å; V200-L203 WeakPolarHBondContact O-CB 3.39Å; V200-L203 PolarHBondContact O-N 3.28Å; L203-F205 VanDerWaalsContact C-N 3.28Å; L203-F205 PolarHBondContact O-N 2.93Å; L203-Y206 PolarHBondContact O-N 3.41Å; L203-R207 WeakPolarHBondContact O-CB 3.43Å; L203-R207 PolarHBondContact O-N 3.47Å |
| 204 | K | 73.6 | Confident | 78.4 | Confident | 153 Ų | 153 | 72 Ų | 72 | 67% | 0.665 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.8 | -35.2 | 176.9 | -63.1 | -176 | -173.6 | 174.5 | 0 | 113.3 | E142 F202 | E142-K204 WeakPolarHBondContact OE1-CE 3.48Å; E142-K204 WeakPolarHBondContact OE1-CG 3.33Å; E142-K204 IonicContact OE1-NZ 2.75Å; E142-K204 WeakPolarHBondContact OE2-CE 3.4Å; E142-K204 IonicContact OE2-NZ 3.65Å; E142-K204 PolarHBondContact OE2-NZ 3.41Å; F202-K204 VanDerWaalsContact C-N 3.26Å; F202-K204 PolarHBondContact O-N 3.25Å; F202-K204 VanDerWaalsContact O-N 3.16Å |
| 205 | F | 72.7 | Confident | 77.9 | Confident | 159 Ų | 159 | 75 Ų | 75 | 70% | 0.697 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -79.1 | -43.4 | -179.5 | -170.3 | -100.2 | 0 | 0 | 0 | 111 | F202 L203 R207 | F202-F205 WeakPolarHBondContact O-CB 3.5Å; F202-F205 PolarHBondContact O-N 3.04Å; L203-F205 VanDerWaalsContact C-N 3.28Å; L203-F205 PolarHBondContact O-N 2.93Å; F205-R207 PolarHBondContact O-N 3.45Å |
| 206 | Y | 67.2 | Low | 77.5 | Confident | 62 Ų | 62 | 75.4 Ų | 75.4 | 24% | 0.243 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -80.8 | -11.1 | -177.4 | -61.5 | -55.8 | 0 | 0 | 0 | 115.1 | F202 L203 Q208 T209 L212 L216 | F202-Y206 HydrophobicContact CB-CD2 3.59Å; F202-Y206 HydrophobicContact CB-CE2 3.29Å; F202-Y206 HydrophobicContact CG-CE2 4.06Å; F202-Y206 WeakPolarHBondContact O-CD2 3.38Å; F202-Y206 PolarHBondContact O-N 3.28Å; F202-Y206 VanDerWaalsContact O-N 3.16Å; L203-Y206 PolarHBondContact O-N 3.41Å; Y206-Q208 PolarHBondContact O-N 3.12Å; Y206-Q208 VanDerWaalsContact O-N 3.08Å; Y206-T209 CarbonylContact O-C 3.55Å; Y206-T209 PolarHBondContact O-N 2.85Å; Y206-T209 PolarHBondContact O-OG1 3.26Å; Y206-L212 HydrophobicContact CD1-CB 4.2Å; Y206-L212 HydrophobicContact CD1-CD1 3.97Å; Y206-L212 HydrophobicContact CE1-CD1 4.25Å; Y206-L216 HydrophobicContact CD2-CD1 4.24Å; Y206-L216 HydrophobicContact CD2-CD2 3.67Å; Y206-L216 HydrophobicContact CE2-CD1 4.25Å; Y206-L216 HydrophobicContact CE2-CD2 3.5Å |
| 207 | R | 67.3 | Low | 77.2 | Confident | 191 Ų | 191 | 76.4 Ų | 76.4 | 72% | 0.721 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -21.9 | 176.9 | -171.9 | 169.9 | -177.3 | 153.5 | 1.9 | 114.1 | L203 F205 T209 | L203-R207 WeakPolarHBondContact O-CB 3.43Å; L203-R207 PolarHBondContact O-N 3.47Å; F205-R207 PolarHBondContact O-N 3.45Å; R207-T209 VanDerWaalsContact C-N 3.26Å; R207-T209 PolarHBondContact O-N 2.93Å |
| 208 | Q | 68.2 | Low | 77.1 | Confident | 179 Ų | 179 | 75.6 Ų | 75.6 | 84% | 0.836 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -10.3 | 174.9 | -64.5 | -176.3 | -6 | 0 | 0 | 113.6 | Y206 | Y206-Q208 PolarHBondContact O-N 3.12Å; Y206-Q208 VanDerWaalsContact O-N 3.08Å |
| 209 | T | 72.1 | Confident | 77.1 | Confident | 54 Ų | 54 | 78.2 Ų | 78.2 | 33% | 0.331 | 38% | 0.384 | S | S | . | . | trans | -134.9 | 91.7 | -172.6 | 45 | 0 | 0 | 0 | 0 | 111.3 | Y206 R207 P211 L212 C213 | Y206-T209 CarbonylContact O-C 3.55Å; Y206-T209 PolarHBondContact O-N 2.85Å; Y206-T209 PolarHBondContact O-OG1 3.26Å; R207-T209 VanDerWaalsContact C-N 3.26Å; R207-T209 PolarHBondContact O-N 2.93Å; T209-P211 VanDerWaalsContact C-CD 3.47Å; T209-L212 PolarHBondContact O-N 2.97Å; T209-L212 VanDerWaalsContact O-N 3.15Å; T209-C213 PolarHBondContact O-N 3.06Å | ||
| 210 | P | 71.4 | Confident | 77.4 | Confident | 62 Ų | 62 | 77.5 Ų | 77.5 | 40% | 0.403 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -52.3 | -42.1 | -176.7 | 14.5 | -25.7 | 0 | 0 | 0 | 116 | L212 C213 L214 | P210-L212 VanDerWaalsContact C-N 3.32Å; P210-L212 PolarHBondContact O-N 2.95Å; P210-C213 PolarHBondContact O-N 3.48Å; P210-L214 PolarHBondContact O-N 3.33Å |
| 211 | P | 77.3 | Confident | 77.8 | Confident | 75 Ų | 75 | 77.7 Ų | 77.7 | 49% | 0.487 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.3 | -30 | -179.2 | 26.4 | -35.8 | 0 | 0 | 0 | 113.5 | T209 F215 | T209-P211 VanDerWaalsContact C-CD 3.47Å; P211-F215 WeakPolarHBondContact O-CB 3.42Å; P211-F215 PolarHBondContact O-N 2.83Å |
| 212 | L | 77.3 | Confident | 78.4 | Confident | 75 Ų | 75 | 74.2 Ų | 74.2 | 39% | 0.393 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -70.5 | -38.3 | 175.7 | -66.2 | -175.5 | 0 | 0 | 0 | 111.1 | Y206 T209 P210 L214 F215 L216 | Y206-L212 HydrophobicContact CD1-CB 4.2Å; Y206-L212 HydrophobicContact CD1-CD1 3.97Å; Y206-L212 HydrophobicContact CE1-CD1 4.25Å; T209-L212 PolarHBondContact O-N 2.97Å; T209-L212 VanDerWaalsContact O-N 3.15Å; P210-L212 VanDerWaalsContact C-N 3.32Å; P210-L212 PolarHBondContact O-N 2.95Å; L212-L214 VanDerWaalsContact C-N 3.33Å; L212-L214 PolarHBondContact O-N 3.43Å; L212-F215 PolarHBondContact O-N 3.03Å; L212-L216 HydrophobicContact CB-CD1 4.47Å; L212-L216 WeakPolarHBondContact O-CD1 3.26Å; L212-L216 PolarHBondContact O-N 2.69Å |
| 213 | C | 76.1 | Confident | 79.1 | Confident | 22 Ų | 22 | 70.1 Ų | 70.1 | 15% | 0.149 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61 | -42 | 176.2 | -165.3 | 0 | 0 | 0 | 0 | 112.1 | A51 T209 P210 S217 | A51-C213 VanDerWaalsContact CB-SG 3.52Å; T209-C213 PolarHBondContact O-N 3.06Å; P210-C213 PolarHBondContact O-N 3.48Å; C213-S217 PolarHBondContact O-N 3.39Å |
| 214 | L | 79.4 | Confident | 80.1 | Confident | 72 Ų | 72 | 69.3 Ų | 69.3 | 38% | 0.377 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.5 | -45.1 | 174.1 | -67.4 | 175.6 | 0 | 0 | 0 | 111.7 | P210 L212 L216 S217 L218 | P210-L214 PolarHBondContact O-N 3.33Å; L212-L214 VanDerWaalsContact C-N 3.33Å; L212-L214 PolarHBondContact O-N 3.43Å; L214-L216 PolarHBondContact O-N 2.8Å; L214-S217 PolarHBondContact O-N 3.46Å; L214-L218 WeakPolarHBondContact O-CG 3.48Å; L214-L218 PolarHBondContact O-N 3.32Å |
| 215 | F | 82.9 | Confident | 81.2 | Confident | 121 Ų | 121 | 62.8 Ų | 62.8 | 53% | 0.531 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 178.4 | 178.9 | -109.8 | 0 | 0 | 0 | 112.9 | P211 L212 S217 L218 I219 | P211-F215 WeakPolarHBondContact O-CB 3.42Å; P211-F215 PolarHBondContact O-N 2.83Å; L212-F215 PolarHBondContact O-N 3.03Å; F215-S217 VanDerWaalsContact C-N 3.33Å; F215-S217 PolarHBondContact O-N 3.02Å; F215-L218 PolarHBondContact O-N 2.9Å; F215-I219 HydrophobicContact CD1-CD1 3.9Å; F215-I219 HydrophobicContact CE1-CD1 3.45Å; F215-I219 VanDerWaalsContact CE1-CD1 3.45Å; F215-I219 HydrophobicContact CE2-CD1 4.36Å; F215-I219 HydrophobicContact CZ-CD1 3.72Å; F215-I219 HydrophobicContact CZ-CG1 4.44Å; F215-I219 WeakPolarHBondContact O-CG1 3.31Å; F215-I219 PolarHBondContact O-N 2.92Å |
| 216 | L | 82 | Confident | 82.3 | Confident | 30 Ų | 30 | 58 Ų | 58 | 16% | 0.157 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.1 | -32.9 | 177.6 | -83.7 | 86.7 | 0 | 0 | 0 | 112.6 | P199 Y206 L212 L214 I219 S220 | P199-L216 HydrophobicContact CB-CB 4.03Å; P199-L216 HydrophobicContact CB-CD2 4.29Å; P199-L216 HydrophobicContact CG-CB 4.22Å; P199-L216 HydrophobicContact CG-CD2 4.46Å; P199-L216 WeakPolarHBondContact CG-O 3.48Å; Y206-L216 HydrophobicContact CD2-CD1 4.24Å; Y206-L216 HydrophobicContact CD2-CD2 3.67Å; Y206-L216 HydrophobicContact CE2-CD1 4.25Å; Y206-L216 HydrophobicContact CE2-CD2 3.5Å; L212-L216 HydrophobicContact CB-CD1 4.47Å; L212-L216 WeakPolarHBondContact O-CD1 3.26Å; L212-L216 PolarHBondContact O-N 2.69Å; L214-L216 PolarHBondContact O-N 2.8Å; L216-I219 PolarHBondContact O-N 3.03Å; L216-S220 PolarHBondContact O-N 3.11Å |
| 217 | S | 82.3 | Confident | 83.6 | Confident | 24 Ų | 24 | 56 Ų | 56 | 17% | 0.168 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72.9 | -33 | 174.6 | -166.9 | 0 | 0 | 0 | 0 | 112.8 | L55 C213 L214 F215 I219 S220 R221 | L55-S217 WeakPolarHBondContact CD1-OG 3.31Å; C213-S217 PolarHBondContact O-N 3.39Å; L214-S217 PolarHBondContact O-N 3.46Å; F215-S217 VanDerWaalsContact C-N 3.33Å; F215-S217 PolarHBondContact O-N 3.02Å; S217-I219 VanDerWaalsContact C-N 3.31Å; S217-S220 PolarHBondContact O-N 3.33Å; S217-S220 PolarHBondContact O-OG 2.84Å; S217-S220 VanDerWaalsContact O-OG 3.11Å; S217-R221 WeakPolarHBondContact O-CG 3.3Å; S217-R221 PolarHBondContact O-N 3.45Å |
| 218 | L | 87.6 | Confident | 84.9 | Confident | 35 Ų | 35 | 46.9 Ų | 46.9 | 18% | 0.183 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.2 | -32.3 | 169.4 | -71 | 169.7 | 0 | 0 | 0 | 111.9 | L55 L214 F215 G222 M299 M303 | L55-L218 HydrophobicContact CD2-CD2 4.15Å; L214-L218 WeakPolarHBondContact O-CG 3.48Å; L214-L218 PolarHBondContact O-N 3.32Å; F215-L218 PolarHBondContact O-N 2.9Å; L218-G222 WeakPolarHBondContact O-CA 3.38Å; L218-G222 PolarHBondContact O-N 2.89Å; L218-M299 HydrophobicContact CB-CE 4.38Å; L218-M299 HydrophobicContact CD2-CB 3.91Å; L218-M299 HydrophobicContact CD2-CE 4.07Å; L218-M299 HydrophobicContact CD2-CG 3.96Å; L218-M299 VanDerWaalsContact O-CE 3.3Å; L218-M299 WeakPolarHBondContact O-CE 3.39Å; L218-M303 HydrophobicContact CD1-CG 3.86Å; L218-M303 HydrophobicContact CD1-SD 4.19Å; L218-M303 HydrophobicContact CD2-CG 4.23Å |
| 219 | I | 88 | Confident | 86.2 | Confident | 75 Ų | 75 | 40.9 Ų | 40.9 | 39% | 0.385 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66 | -45.5 | 174 | -72.5 | 167.8 | 0 | 0 | 0 | 111.6 | F215 L216 S217 G222 A223 | F215-I219 HydrophobicContact CD1-CD1 3.9Å; F215-I219 HydrophobicContact CE1-CD1 3.45Å; F215-I219 VanDerWaalsContact CE1-CD1 3.45Å; F215-I219 HydrophobicContact CE2-CD1 4.36Å; F215-I219 HydrophobicContact CZ-CD1 3.72Å; F215-I219 HydrophobicContact CZ-CG1 4.44Å; F215-I219 WeakPolarHBondContact O-CG1 3.31Å; F215-I219 PolarHBondContact O-N 2.92Å; L216-I219 PolarHBondContact O-N 3.03Å; S217-I219 VanDerWaalsContact C-N 3.31Å; I219-G222 PolarHBondContact O-N 3.28Å; I219-A223 WeakPolarHBondContact O-CB 3.4Å; I219-A223 PolarHBondContact O-N 2.98Å |
| 220 | S | 88.1 | Confident | 87.3 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 3% | 0.028 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63 | -49.5 | -179.4 | 71.4 | 0 | 0 | 0 | 0 | 111.6 | E149 A195 L216 S217 G222 A223 F224 | E149-S220 WeakPolarHBondContact OE2-CB 3.32Å; E149-S220 PolarHBondContact OE2-OG 2.77Å; A195-S220 WeakPolarHBondContact O-CB 3.3Å; L216-S220 PolarHBondContact O-N 3.11Å; S217-S220 PolarHBondContact O-N 3.33Å; S217-S220 PolarHBondContact O-OG 2.84Å; S217-S220 VanDerWaalsContact O-OG 3.11Å; S220-G222 PolarHBondContact O-N 3.49Å; S220-A223 PolarHBondContact O-N 3.36Å; S220-F224 PolarHBondContact O-N 3.48Å |
| 221 | R | 89.3 | Confident | 88.3 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 3% | 0.03 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.8 | -42.6 | 176.8 | -64.9 | -83.3 | 177.7 | 106.5 | 17.1 | 111.5 | P53 L55 E149 S217 A223 F224 V225 M299 | P53-R221 PolarHBondContact O-NH2 3.42Å; L55-R221 HydrophobicContact CD1-CG 4.3Å; L55-R221 HydrophobicContact CD2-CB 4.43Å; L55-R221 HydrophobicContact CD2-CG 3.91Å; E149-R221 IonicContact OE1-CZ 3.46Å; E149-R221 IonicContact OE1-NE 3.85Å; E149-R221 PolarHBondContact OE1-NE 3.32Å; E149-R221 IonicContact OE1-NH2 2.82Å; E149-R221 PolarHBondContact OE1-NH2 2.76Å; S217-R221 WeakPolarHBondContact O-CG 3.3Å; S217-R221 PolarHBondContact O-N 3.45Å; R221-A223 PolarHBondContact O-N 2.92Å; R221-F224 PolarHBondContact O-N 3.35Å; R221-V225 WeakPolarHBondContact O-CG2 3.43Å; R221-V225 PolarHBondContact O-N 3.37Å; R221-M299 HydrophobicContact CB-CG 3.9Å; R221-M299 HydrophobicContact CB-SD 3.75Å |
| 222 | G | 91.9 | Very high | 89.2 | Confident | 21 Ų | 21 | 36.6 Ų | 36.6 | 22% | 0.216 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.2 | -39 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | L218 I219 S220 V225 A226 | L218-G222 WeakPolarHBondContact O-CA 3.38Å; L218-G222 PolarHBondContact O-N 2.89Å; I219-G222 PolarHBondContact O-N 3.28Å; S220-G222 PolarHBondContact O-N 3.49Å; G222-V225 PolarHBondContact O-N 3.01Å; G222-A226 VanDerWaalsContact O-CB 3.26Å; G222-A226 WeakPolarHBondContact O-CB 3.31Å; G222-A226 PolarHBondContact O-N 3.14Å |
| 223 | A | 92.9 | Very high | 90 | Very high | 27 Ų | 27 | 35.5 Ų | 35.5 | 22% | 0.223 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A195 I219 S220 R221 L227 | A195-A223 HydrophobicContact CB-CB 3.73Å; I219-A223 WeakPolarHBondContact O-CB 3.4Å; I219-A223 PolarHBondContact O-N 2.98Å; S220-A223 PolarHBondContact O-N 3.36Å; R221-A223 PolarHBondContact O-N 2.92Å; A223-L227 VanDerWaalsContact O-CB 3.25Å; A223-L227 WeakPolarHBondContact O-CB 3.36Å; A223-L227 PolarHBondContact O-N 3.22Å |
| 224 | F | 94.4 | Very high | 90.7 | Very high | 7 Ų | 7 | 35.6 Ų | 35.6 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.1 | -50.2 | 173.3 | 171.3 | -102.6 | 0 | 0 | 0 | 111.7 | F152 T156 H192 S220 R221 A226 L227 A228 C291 Q295 | F152-F224 HydrophobicContact CB-CB 4.13Å; F152-F224 HydrophobicContact CB-CD2 3.58Å; F152-F224 HydrophobicContact CB-CE2 4.2Å; F152-F224 HydrophobicContact CB-CG 3.92Å; F152-F224 HydrophobicContact CD1-CD1 4.12Å; F152-F224 AromaticContact CD1-CD2 3.96Å; F152-F224 HydrophobicContact CD1-CD2 3.96Å; F152-F224 HydrophobicContact CD1-CE1 4.13Å; F152-F224 AromaticContact CD1-CE2 3.96Å; F152-F224 HydrophobicContact CD1-CE2 3.96Å; F152-F224 HydrophobicContact CD1-CG 4.04Å; F152-F224 HydrophobicContact CD1-CZ 4.05Å; F152-F224 HydrophobicContact CG-CD2 4.12Å; F152-F224 HydrophobicContact CG-CG 4.15Å; T156-F224 HydrophobicContact CG2-CD2 3.7Å; T156-F224 HydrophobicContact CG2-CE2 3.8Å; H192-F224 WeakPolarHBondContact NE2-CA 3.3Å; H192-F224 PolarHBondContact NE2-N 3.07Å; S220-F224 PolarHBondContact O-N 3.48Å; R221-F224 PolarHBondContact O-N 3.35Å; F224-A226 PolarHBondContact O-N 3.28Å; F224-L227 PolarHBondContact O-N 3.33Å; F224-A228 HydrophobicContact CD2-CB 4.5Å; F224-A228 HydrophobicContact CE2-CB 4.21Å; F224-A228 HydrophobicContact CZ-CB 4.23Å; F224-A228 WeakPolarHBondContact O-CB 3.21Å; F224-A228 PolarHBondContact O-N 3.11Å; F224-C291 HydrophobicContact CE1-CB 4.23Å; F224-C291 HydrophobicContact CZ-CB 4.03Å; F224-Q295 HydrophobicContact CD1-CB 4.34Å; F224-Q295 HydrophobicContact CD1-CG 4.05Å; F224-Q295 HydrophobicContact CE1-CB 4.47Å; F224-Q295 HydrophobicContact CE1-CG 3.92Å |
| 225 | V | 96.1 | Very high | 91.3 | Very high | 16 Ų | 16 | 32.1 Ų | 32.1 | 10% | 0.097 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.5 | -48.6 | -179.6 | 171 | 0 | 0 | 0 | 0 | 111 | R221 G222 T229 A292 Q295 F296 M299 | R221-V225 WeakPolarHBondContact O-CG2 3.43Å; R221-V225 PolarHBondContact O-N 3.37Å; G222-V225 PolarHBondContact O-N 3.01Å; V225-T229 HydrophobicContact CG1-CG2 4.47Å; V225-T229 WeakPolarHBondContact O-CB 3.29Å; V225-T229 VanDerWaalsContact O-CG2 3.27Å; V225-T229 WeakPolarHBondContact O-CG2 3.39Å; V225-T229 PolarHBondContact O-N 3.33Å; V225-T229 PolarHBondContact O-OG1 2.93Å; V225-A292 HydrophobicContact CG1-CB 4.45Å; V225-Q295 HydrophobicContact CG2-CB 3.77Å; V225-F296 HydrophobicContact CG1-CB 4.05Å; V225-F296 HydrophobicContact CG1-CD2 4.39Å; V225-F296 HydrophobicContact CG2-CB 4.3Å; V225-M299 HydrophobicContact CG2-SD 4.25Å |
| 226 | A | 95.7 | Very high | 91.8 | Very high | 59 Ų | 59 | 28.6 Ų | 28.6 | 49% | 0.488 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.6 | -45.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | G222 F224 T229 F230 | G222-A226 VanDerWaalsContact O-CB 3.26Å; G222-A226 WeakPolarHBondContact O-CB 3.31Å; G222-A226 PolarHBondContact O-N 3.14Å; F224-A226 PolarHBondContact O-N 3.28Å; A226-T229 PolarHBondContact O-OG1 3.37Å; A226-F230 WeakPolarHBondContact O-CB 3.37Å; A226-F230 PolarHBondContact O-N 3.15Å |
| 227 | L | 94.3 | Very high | 92.2 | Very high | 19 Ų | 19 | 31.8 Ų | 31.8 | 10% | 0.099 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.8 | -42.1 | -179.3 | -170.3 | 67.9 | 0 | 0 | 0 | 112.1 | T156 L188 H192 A223 F224 F230 L231 | T156-L227 HydrophobicContact CG2-CD2 4.21Å; T156-L227 HydrophobicContact CG2-CG 4.46Å; L188-L227 HydrophobicContact CB-CD1 4.25Å; L188-L227 HydrophobicContact CD1-CD1 4.1Å; L188-L227 HydrophobicContact CD2-CD1 4.34Å; L188-L227 HydrophobicContact CG-CD1 4.48Å; H192-L227 HydrophobicContact CB-CD2 3.88Å; H192-L227 WeakPolarHBondContact ND1-CD2 3.34Å; A223-L227 VanDerWaalsContact O-CB 3.25Å; A223-L227 WeakPolarHBondContact O-CB 3.36Å; A223-L227 PolarHBondContact O-N 3.22Å; F224-L227 PolarHBondContact O-N 3.33Å; L227-F230 PolarHBondContact O-N 2.96Å; L227-L231 HydrophobicContact CD1-CD1 3.62Å; L227-L231 HydrophobicContact CG-CD1 4.09Å; L227-L231 HydrophobicContact CG-CD2 4.38Å; L227-L231 WeakPolarHBondContact O-CB 3.33Å; L227-L231 PolarHBondContact O-N 3.16Å |
| 228 | A | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67 | -44.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T156 F224 S232 A292 | T156-A228 HydrophobicContact CG2-CB 4.19Å; F224-A228 HydrophobicContact CD2-CB 4.5Å; F224-A228 HydrophobicContact CE2-CB 4.21Å; F224-A228 HydrophobicContact CZ-CB 4.23Å; F224-A228 WeakPolarHBondContact O-CB 3.21Å; F224-A228 PolarHBondContact O-N 3.11Å; A228-S232 VanDerWaalsContact O-CB 3.27Å; A228-S232 WeakPolarHBondContact O-CB 3.45Å; A228-S232 PolarHBondContact O-N 3.18Å; A228-S232 PolarHBondContact O-OG 2.92Å; A228-A292 HydrophobicContact CB-CB 4.11Å |
| 229 | T | 96.1 | Very high | 92.4 | Very high | 52 Ų | 52 | 31.2 Ų | 31.2 | 32% | 0.319 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.5 | -45.8 | 173.2 | 51 | 0 | 0 | 0 | 0 | 111.2 | V225 A226 S232 A233 L289 A292 | V225-T229 HydrophobicContact CG1-CG2 4.47Å; V225-T229 WeakPolarHBondContact O-CB 3.29Å; V225-T229 VanDerWaalsContact O-CG2 3.27Å; V225-T229 WeakPolarHBondContact O-CG2 3.39Å; V225-T229 PolarHBondContact O-N 3.33Å; V225-T229 PolarHBondContact O-OG1 2.93Å; A226-T229 PolarHBondContact O-OG1 3.37Å; T229-S232 PolarHBondContact O-N 3.25Å; T229-A233 VanDerWaalsContact O-CB 3.31Å; T229-A233 WeakPolarHBondContact O-CB 3.43Å; T229-A233 PolarHBondContact O-N 3.42Å; T229-L289 HydrophobicContact CG2-CD1 3.98Å; T229-A292 HydrophobicContact CG2-CB 3.79Å |
| 230 | F | 93.9 | Very high | 92.4 | Very high | 95 Ų | 95 | 33.1 Ų | 33.1 | 42% | 0.417 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.8 | -49.3 | -179.7 | -179.7 | -115.1 | 0 | 0 | 0 | 113.3 | F179 A226 L227 S232 A233 A234 | F179-F230 AromaticContact CE1-CE1 3.61Å; F179-F230 HydrophobicContact CE1-CE1 3.61Å; F179-F230 AromaticContact CE1-CZ 4Å; F179-F230 HydrophobicContact CE1-CZ 4Å; F179-F230 HydrophobicContact CE2-CZ 4.14Å; F179-F230 AromaticContact CZ-CE1 3.4Å; F179-F230 HydrophobicContact CZ-CE1 3.4Å; F179-F230 AromaticContact CZ-CZ 3.35Å; F179-F230 HydrophobicContact CZ-CZ 3.35Å; A226-F230 WeakPolarHBondContact O-CB 3.37Å; A226-F230 PolarHBondContact O-N 3.15Å; L227-F230 PolarHBondContact O-N 2.96Å; F230-S232 VanDerWaalsContact C-N 3.33Å; F230-S232 PolarHBondContact O-N 3.17Å; F230-A233 PolarHBondContact O-N 3.4Å; F230-A234 VanDerWaalsContact O-CB 3.3Å; F230-A234 WeakPolarHBondContact O-CB 3.39Å; F230-A234 PolarHBondContact O-N 3.4Å |
| 231 | L | 93 | Very high | 92.1 | Very high | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.3 | -40.3 | 176.6 | -95.4 | 54.3 | 0 | 0 | 0 | 111.5 | F159 L227 Y235 | F159-L231 HydrophobicContact CD1-CB 3.83Å; F159-L231 HydrophobicContact CD1-CD2 4.16Å; F159-L231 HydrophobicContact CD1-CG 4.36Å; F159-L231 HydrophobicContact CE1-CB 3.85Å; L227-L231 HydrophobicContact CD1-CD1 3.62Å; L227-L231 HydrophobicContact CG-CD1 4.09Å; L227-L231 HydrophobicContact CG-CD2 4.38Å; L227-L231 WeakPolarHBondContact O-CB 3.33Å; L227-L231 PolarHBondContact O-N 3.16Å; L231-Y235 WeakPolarHBondContact O-CB 3.23Å; L231-Y235 PolarHBondContact O-N 3.36Å |
| 232 | S | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67 | -44.7 | 178.3 | -51.9 | 0 | 0 | 0 | 0 | 111.3 | A228 T229 F230 Y235 F236 S288 | A228-S232 VanDerWaalsContact O-CB 3.27Å; A228-S232 WeakPolarHBondContact O-CB 3.45Å; A228-S232 PolarHBondContact O-N 3.18Å; A228-S232 PolarHBondContact O-OG 2.92Å; T229-S232 PolarHBondContact O-N 3.25Å; F230-S232 VanDerWaalsContact C-N 3.33Å; F230-S232 PolarHBondContact O-N 3.17Å; S232-Y235 WeakPolarHBondContact O-CB 3.38Å; S232-Y235 PolarHBondContact O-N 3.26Å; S232-F236 WeakPolarHBondContact O-CD2 3.34Å; S232-F236 PolarHBondContact O-N 2.89Å; S232-S288 WeakPolarHBondContact OG-CB 3.48Å; S232-S288 PolarHBondContact OG-OG 2.97Å; S232-S288 VanDerWaalsContact OG-OG 3.07Å |
| 233 | A | 94.3 | Very high | 91.1 | Very high | 51 Ų | 51 | 41.7 Ų | 41.7 | 42% | 0.421 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T229 F230 Y235 F236 V237 | T229-A233 VanDerWaalsContact O-CB 3.31Å; T229-A233 WeakPolarHBondContact O-CB 3.43Å; T229-A233 PolarHBondContact O-N 3.42Å; F230-A233 PolarHBondContact O-N 3.4Å; A233-Y235 VanDerWaalsContact C-N 3.28Å; A233-Y235 PolarHBondContact O-N 3.15Å; A233-F236 PolarHBondContact O-N 3.15Å; A233-V237 WeakPolarHBondContact O-CG2 3.36Å; A233-V237 PolarHBondContact O-N 3.27Å |
| 234 | A | 91.6 | Very high | 90.4 | Very high | 24 Ų | 24 | 43.1 Ų | 43.1 | 20% | 0.198 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.3 | -39.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F163 F230 F238 | F163-A234 HydrophobicContact CE1-CB 3.91Å; F163-A234 HydrophobicContact CZ-CB 4.22Å; F230-A234 VanDerWaalsContact O-CB 3.3Å; F230-A234 WeakPolarHBondContact O-CB 3.39Å; F230-A234 PolarHBondContact O-N 3.4Å; A234-F238 VanDerWaalsContact O-CB 3.31Å; A234-F238 WeakPolarHBondContact O-CB 3.49Å; A234-F238 PolarHBondContact O-N 3.16Å |
| 235 | Y | 92.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.7 | -43.9 | 174.2 | -175.6 | -95.8 | 0 | 0 | 0 | 112.7 | F159 F163 L166 L231 S232 A233 F238 Y239 A278 V281 C282 A285 | F159-Y235 HydrophobicContact CZ-CG 4.12Å; F163-Y235 HydrophobicContact CB-CD2 4.49Å; F163-Y235 AromaticContact CD2-CD2 3.61Å; F163-Y235 HydrophobicContact CD2-CD2 3.61Å; F163-Y235 HydrophobicContact CD2-CE2 4.33Å; F163-Y235 HydrophobicContact CE2-CD2 4.09Å; F163-Y235 HydrophobicContact CG-CD2 4.2Å; L166-Y235 HydrophobicContact CD2-CE2 4.12Å; L231-Y235 WeakPolarHBondContact O-CB 3.23Å; L231-Y235 PolarHBondContact O-N 3.36Å; S232-Y235 WeakPolarHBondContact O-CB 3.38Å; S232-Y235 PolarHBondContact O-N 3.26Å; A233-Y235 VanDerWaalsContact C-N 3.28Å; A233-Y235 PolarHBondContact O-N 3.15Å; Y235-F238 HydrophobicContact CD2-CD1 4.38Å; Y235-F238 HydrophobicContact CE2-CD1 4.19Å; Y235-F238 WeakPolarHBondContact O-CB 3.04Å; Y235-F238 PolarHBondContact O-N 2.99Å; Y235-Y239 HydrophobicContact CE1-CD2 4.49Å; Y235-Y239 HydrophobicContact CE1-CG 4.49Å; Y235-Y239 VanDerWaalsContact O-CB 3.28Å; Y235-Y239 WeakPolarHBondContact O-CB 3.39Å; Y235-Y239 PolarHBondContact O-N 3.23Å; Y235-A278 VanDerWaalsContact OH-CA 3.22Å; Y235-A278 WeakPolarHBondContact OH-CA 3.37Å; Y235-A278 PolarHBondContact OH-O 2.89Å; Y235-V281 HydrophobicContact CD1-CG1 4.23Å; Y235-V281 HydrophobicContact CD2-CG1 3.76Å; Y235-V281 HydrophobicContact CE1-CB 4.24Å; Y235-V281 HydrophobicContact CE1-CG1 3.91Å; Y235-V281 HydrophobicContact CE2-CB 4.03Å; Y235-V281 HydrophobicContact CE2-CG1 3.41Å; Y235-V281 VanDerWaalsContact CE2-CG1 3.41Å; Y235-V281 HydrophobicContact CG-CG1 4.17Å; Y235-C282 HydrophobicContact CE1-CB 4.06Å; Y235-A285 HydrophobicContact CD1-CB 3.95Å |
| 236 | F | 92.9 | Very high | 87.7 | Confident | 47 Ų | 47 | 46.3 Ų | 46.3 | 21% | 0.206 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 177.4 | -71.3 | -59.8 | 0 | 0 | 0 | 112.4 | S232 A233 F238 Y239 I240 A285 L286 | S232-F236 WeakPolarHBondContact O-CD2 3.34Å; S232-F236 PolarHBondContact O-N 2.89Å; A233-F236 PolarHBondContact O-N 3.15Å; F236-F238 PolarHBondContact O-N 3.49Å; F236-Y239 PolarHBondContact O-N 2.95Å; F236-I240 WeakPolarHBondContact O-CB 3.3Å; F236-I240 VanDerWaalsContact O-CG1 3.29Å; F236-I240 WeakPolarHBondContact O-CG1 3.45Å; F236-I240 PolarHBondContact O-N 3.5Å; F236-A285 HydrophobicContact CE1-CB 4.16Å; F236-A285 HydrophobicContact CE2-CB 3.94Å; F236-A285 HydrophobicContact CZ-CB 3.63Å; F236-L286 HydrophobicContact CE1-CD2 4.29Å; F236-L286 HydrophobicContact CE1-CG 4.38Å; F236-L286 HydrophobicContact CZ-CD2 3.72Å; F236-L286 HydrophobicContact CZ-CG 3.94Å |
| 237 | V | 90.3 | Very high | 85.9 | Confident | 97 Ų | 97 | 51.5 Ų | 51.5 | 59% | 0.588 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -59.9 | -46.7 | 174.8 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | A233 Y241 | A233-V237 WeakPolarHBondContact O-CG2 3.36Å; A233-V237 PolarHBondContact O-N 3.27Å; V237-Y241 VanDerWaalsContact O-CB 3.26Å; V237-Y241 WeakPolarHBondContact O-CB 3.4Å; V237-Y241 PolarHBondContact O-N 3.39Å |
| 238 | F | 87.1 | Confident | 84.1 | Confident | 16 Ų | 16 | 56.9 Ų | 56.9 | 7% | 0.07 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.4 | -50.6 | 174.1 | 170.9 | -100.4 | 0 | 0 | 0 | 112 | F163 L166 S170 M172 A234 Y235 F236 I240 Y241 V242 W274 | F163-F238 HydrophobicContact CD2-CD1 4.39Å; F163-F238 HydrophobicContact CE2-CB 3.76Å; F163-F238 AromaticContact CE2-CD1 3.83Å; F163-F238 HydrophobicContact CE2-CD1 3.83Å; F163-F238 HydrophobicContact CE2-CD2 4.25Å; F163-F238 AromaticContact CE2-CG 3.69Å; F163-F238 HydrophobicContact CE2-CG 3.69Å; F163-F238 HydrophobicContact CZ-CB 4.13Å; F163-F238 HydrophobicContact CZ-CG 4.45Å; L166-F238 HydrophobicContact CB-CE1 4.47Å; S170-F238 VanDerWaalsContact OG-CE2 3.31Å; S170-F238 WeakPolarHBondContact OG-CE2 2.96Å; S170-F238 WeakPolarHBondContact OG-CZ 3.38Å; M172-F238 HydrophobicContact SD-CE2 4.07Å; A234-F238 VanDerWaalsContact O-CB 3.31Å; A234-F238 WeakPolarHBondContact O-CB 3.49Å; A234-F238 PolarHBondContact O-N 3.16Å; Y235-F238 HydrophobicContact CD2-CD1 4.38Å; Y235-F238 HydrophobicContact CE2-CD1 4.19Å; Y235-F238 WeakPolarHBondContact O-CB 3.04Å; Y235-F238 PolarHBondContact O-N 2.99Å; F236-F238 PolarHBondContact O-N 3.49Å; F238-I240 PolarHBondContact O-N 3.01Å; F238-Y241 PolarHBondContact O-N 2.76Å; F238-V242 HydrophobicContact CD1-CG2 4.22Å; F238-V242 HydrophobicContact CD2-CG2 4.05Å; F238-V242 HydrophobicContact CE1-CG2 3.88Å; F238-V242 HydrophobicContact CE2-CG2 3.68Å; F238-V242 HydrophobicContact CG-CG2 4.3Å; F238-V242 HydrophobicContact CZ-CG2 3.58Å; F238-V242 VanDerWaalsContact O-CG2 3.26Å; F238-V242 WeakPolarHBondContact O-CG2 3.26Å; F238-V242 PolarHBondContact O-N 3.05Å; F238-W274 HydrophobicContact CE1-CZ2 4.04Å; F238-W274 HydrophobicContact CZ-CZ2 4.21Å |
| 239 | Y | 87.9 | Confident | 82.1 | Confident | 31 Ų | 31 | 60.8 Ų | 60.8 | 12% | 0.122 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.8 | -43.2 | -178.1 | 176.8 | -103.1 | 0 | 0 | 0 | 113 | Y235 F236 R243 A278 | Y235-Y239 HydrophobicContact CE1-CD2 4.49Å; Y235-Y239 HydrophobicContact CE1-CG 4.49Å; Y235-Y239 VanDerWaalsContact O-CB 3.28Å; Y235-Y239 WeakPolarHBondContact O-CB 3.39Å; Y235-Y239 PolarHBondContact O-N 3.23Å; F236-Y239 PolarHBondContact O-N 2.95Å; Y239-R243 VanDerWaalsContact CZ-NE 3.32Å; Y239-R243 WeakPolarHBondContact O-CB 3.21Å; Y239-R243 WeakPolarHBondContact O-CG 3.44Å; Y239-R243 PolarHBondContact O-N 2.68Å; Y239-R243 VanDerWaalsContact O-N 3.11Å; Y239-R243 PolarHBondContact OH-NE 3.22Å; Y239-R243 PolarHBondContact OH-NH2 3.2Å; Y239-R243 VanDerWaalsContact OH-NH2 3.08Å; Y239-A278 HydrophobicContact CD2-CB 4.33Å; Y239-A278 HydrophobicContact CE2-CB 4.29Å |
| 240 | I | 87.4 | Confident | 79.9 | Confident | 114 Ų | 114 | 65.8 Ų | 65.8 | 59% | 0.585 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.2 | -45.3 | 174.6 | -68.2 | 166.3 | 0 | 0 | 0 | 110.1 | F236 F238 R243 A244 | F236-I240 WeakPolarHBondContact O-CB 3.3Å; F236-I240 VanDerWaalsContact O-CG1 3.29Å; F236-I240 WeakPolarHBondContact O-CG1 3.45Å; F236-I240 PolarHBondContact O-N 3.5Å; F238-I240 PolarHBondContact O-N 3.01Å; I240-R243 CarbonylContact O-C 3.6Å; I240-R243 PolarHBondContact O-N 3.11Å; I240-A244 PolarHBondContact O-N 3.21Å |
| 241 | Y | 82.2 | Confident | 77.7 | Confident | 86 Ų | 86 | 68.9 Ų | 68.9 | 34% | 0.337 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -70 | -40.5 | -176.7 | -177.7 | -132.5 | 0 | 0 | 0 | 112.7 | M172 L174 V237 F238 R243 A244 D245 | M172-Y241 HydrophobicContact CE-CD1 3Å; M172-Y241 HydrophobicContact CE-CE1 3.28Å; M172-Y241 HydrophobicContact CE-CG 3.74Å; L174-Y241 HydrophobicContact CB-CD1 4.26Å; L174-Y241 HydrophobicContact CB-CE1 3.55Å; L174-Y241 HydrophobicContact CD2-CD1 3.72Å; L174-Y241 HydrophobicContact CD2-CE1 3.63Å; L174-Y241 HydrophobicContact CD2-CG 4.43Å; L174-Y241 HydrophobicContact CG-CE1 4.11Å; V237-Y241 VanDerWaalsContact O-CB 3.26Å; V237-Y241 WeakPolarHBondContact O-CB 3.4Å; V237-Y241 PolarHBondContact O-N 3.39Å; F238-Y241 PolarHBondContact O-N 2.76Å; Y241-R243 VanDerWaalsContact C-N 3.29Å; Y241-R243 PolarHBondContact O-N 3.46Å; Y241-A244 PolarHBondContact O-N 3.45Å; Y241-D245 WeakPolarHBondContact O-CB 3.17Å; Y241-D245 PolarHBondContact O-N 3.2Å |
| 242 | V | 79.9 | Confident | 75.7 | Confident | 19 Ų | 19 | 73.8 Ų | 73.8 | 12% | 0.115 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59 | -42 | 170.3 | -179 | 0 | 0 | 0 | 0 | 110.6 | M172 F238 A244 D245 S246 W274 | M172-V242 HydrophobicContact CE-CB 4.38Å; M172-V242 HydrophobicContact CE-CG2 3.71Å; M172-V242 HydrophobicContact SD-CB 4.32Å; M172-V242 HydrophobicContact SD-CG2 3.43Å; M172-V242 WeakPolarHBondContact SD-CG2 3.4Å; F238-V242 HydrophobicContact CD1-CG2 4.22Å; F238-V242 HydrophobicContact CD2-CG2 4.05Å; F238-V242 HydrophobicContact CE1-CG2 3.88Å; F238-V242 HydrophobicContact CE2-CG2 3.68Å; F238-V242 HydrophobicContact CG-CG2 4.3Å; F238-V242 HydrophobicContact CZ-CG2 3.58Å; F238-V242 VanDerWaalsContact O-CG2 3.26Å; F238-V242 WeakPolarHBondContact O-CG2 3.26Å; F238-V242 PolarHBondContact O-N 3.05Å; V242-A244 VanDerWaalsContact C-N 3.34Å; V242-A244 PolarHBondContact O-N 3.35Å; V242-D245 PolarHBondContact O-N 3.49Å; V242-S246 WeakPolarHBondContact O-CB 3.12Å; V242-S246 PolarHBondContact O-N 3.44Å; V242-S246 PolarHBondContact O-OG 3.43Å; V242-W274 HydrophobicContact CB-CH2 3.98Å; V242-W274 HydrophobicContact CG1-CH2 3.4Å; V242-W274 VanDerWaalsContact CG1-CH2 3.4Å; V242-W274 HydrophobicContact CG1-CZ2 4Å; V242-W274 HydrophobicContact CG1-CZ3 3.99Å; V242-W274 HydrophobicContact CG2-CH2 4.14Å; V242-W274 HydrophobicContact CG2-CZ2 4.2Å |
| 243 | R | 80.1 | Confident | 73.5 | Confident | 109 Ų | 109 | 78.3 Ų | 78.3 | 41% | 0.411 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.7 | -31.5 | 177.5 | -79.7 | -174.8 | 163.7 | -145.7 | -5.6 | 113.1 | Y239 I240 Y241 S246 | Y239-R243 VanDerWaalsContact CZ-NE 3.32Å; Y239-R243 WeakPolarHBondContact O-CB 3.21Å; Y239-R243 WeakPolarHBondContact O-CG 3.44Å; Y239-R243 PolarHBondContact O-N 2.68Å; Y239-R243 VanDerWaalsContact O-N 3.11Å; Y239-R243 PolarHBondContact OH-NE 3.22Å; Y239-R243 PolarHBondContact OH-NH2 3.2Å; Y239-R243 VanDerWaalsContact OH-NH2 3.08Å; I240-R243 CarbonylContact O-C 3.6Å; I240-R243 PolarHBondContact O-N 3.11Å; Y241-R243 VanDerWaalsContact C-N 3.29Å; Y241-R243 PolarHBondContact O-N 3.46Å; R243-S246 PolarHBondContact O-OG 3.25Å |
| 244 | A | 77 | Confident | 71.2 | Confident | 56 Ų | 56 | 82.9 Ų | 82.9 | 46% | 0.463 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -70.3 | -50.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I240 Y241 V242 S246 K247 | I240-A244 PolarHBondContact O-N 3.21Å; Y241-A244 PolarHBondContact O-N 3.45Å; V242-A244 VanDerWaalsContact C-N 3.34Å; V242-A244 PolarHBondContact O-N 3.35Å; A244-S246 PolarHBondContact O-N 2.96Å; A244-K247 WeakPolarHBondContact O-CB 3.37Å; A244-K247 PolarHBondContact O-N 3.03Å |
| 245 | D | 68.3 | Low | 69 | Low | 51 Ų | 51 | 87.4 Ų | 87.4 | 27% | 0.273 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.5 | -39.8 | -177.9 | -172.9 | 41.2 | 0 | 0 | 0 | 112.4 | Y241 V242 K247 H248 I249 | Y241-D245 WeakPolarHBondContact O-CB 3.17Å; Y241-D245 PolarHBondContact O-N 3.2Å; V242-D245 PolarHBondContact O-N 3.49Å; D245-K247 PolarHBondContact O-N 3.15Å; D245-H248 WeakPolarHBondContact O-CA 3.49Å; D245-H248 WeakPolarHBondContact O-CB 3.49Å; D245-H248 PolarHBondContact O-N 2.91Å; D245-I249 PolarHBondContact O-N 3.33Å; D245-I249 VanDerWaalsContact OD2-CD1 3.26Å; D245-I249 WeakPolarHBondContact OD2-CD1 3.3Å |
| 246 | S | 65.4 | Low | 66.7 | Low | 39 Ų | 39 | 91 Ų | 91 | 27% | 0.273 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -54.8 | -37.9 | 175.4 | 64.4 | 0 | 0 | 0 | 0 | 113.3 | V242 R243 A244 H248 I249 Y250 | V242-S246 WeakPolarHBondContact O-CB 3.12Å; V242-S246 PolarHBondContact O-N 3.44Å; V242-S246 PolarHBondContact O-OG 3.43Å; R243-S246 PolarHBondContact O-OG 3.25Å; A244-S246 PolarHBondContact O-N 2.96Å; S246-H248 PolarHBondContact O-N 3.24Å; S246-I249 PolarHBondContact O-N 3.35Å; S246-Y250 WeakPolarHBondContact O-CD2 3.39Å; S246-Y250 PolarHBondContact O-N 3.09Å |
| 247 | K | 59.7 | Low | 64.5 | Low | 169 Ų | 169 | 94.1 Ų | 94.1 | 74% | 0.735 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.2 | -31.2 | 176.4 | -65.6 | 176.4 | -179.8 | -176.1 | 0 | 112.6 | A244 D245 | A244-K247 WeakPolarHBondContact O-CB 3.37Å; A244-K247 PolarHBondContact O-N 3.03Å; D245-K247 PolarHBondContact O-N 3.15Å |
| 248 | H | 54.8 | Low | 62.6 | Low | 131 Ų | 131 | 95.9 Ų | 95.9 | 61% | 0.606 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -81.3 | -39.9 | 177.9 | -159.1 | -98.3 | 0 | 0 | 0 | 111.4 | D245 S246 H251 | D245-H248 WeakPolarHBondContact O-CA 3.49Å; D245-H248 WeakPolarHBondContact O-CB 3.49Å; D245-H248 PolarHBondContact O-N 2.91Å; S246-H248 PolarHBondContact O-N 3.24Å; H248-H251 WeakPolarHBondContact O-CB 3.39Å; H248-H251 PolarHBondContact O-N 3.09Å |
| 249 | I | 55.2 | Low | 60.8 | Low | 82 Ų | 82 | 98.8 Ų | 98.8 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67 | -36.7 | 179.8 | -67.7 | 173 | 0 | 0 | 0 | 112.5 | D245 S246 H251 L252 N253 | D245-I249 PolarHBondContact O-N 3.33Å; D245-I249 VanDerWaalsContact OD2-CD1 3.26Å; D245-I249 WeakPolarHBondContact OD2-CD1 3.3Å; S246-I249 PolarHBondContact O-N 3.35Å; I249-H251 PolarHBondContact O-N 3.01Å; I249-H251 VanDerWaalsContact O-N 3.12Å; I249-L252 PolarHBondContact O-N 3.16Å; I249-N253 PolarHBondContact O-N 3.26Å |
| 250 | Y | 48.6 | Very low | 58.9 | Low | 157 Ų | 157 | 100.7 Ų | 100.7 | 62% | 0.616 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.4 | -20.3 | 176.6 | -74.7 | -59.7 | 0 | 0 | 0 | 113.8 | S246 | S246-Y250 WeakPolarHBondContact O-CD2 3.39Å; S246-Y250 PolarHBondContact O-N 3.09Å |
| 251 | H | 47.8 | Very low | 56.9 | Low | 161 Ų | 161 | 104 Ų | 104 | 75% | 0.745 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -80.1 | -22.9 | 175.4 | -161.7 | -85.9 | 0 | 0 | 0 | 113.1 | H248 I249 | H248-H251 WeakPolarHBondContact O-CB 3.39Å; H248-H251 PolarHBondContact O-N 3.09Å; I249-H251 PolarHBondContact O-N 3.01Å; I249-H251 VanDerWaalsContact O-N 3.12Å |
| 252 | L | 52.2 | Low | 55.1 | Low | 109 Ų | 109 | 109.7 Ų | 109.7 | 57% | 0.571 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -102.1 | -22.2 | -176.8 | -78.4 | 157 | 0 | 0 | 0 | 113.6 | I249 N254 T255 | I249-L252 PolarHBondContact O-N 3.16Å; L252-N254 PolarHBondContact O-N 3.43Å; L252-T255 PolarHBondContact O-OG1 3.41Å; L252-T255 VanDerWaalsContact O-OG1 3.1Å |
| 253 | N | 48.5 | Very low | 53.5 | Low | 95 Ų | 95 | 114 Ų | 114 | 51% | 0.508 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.6 | 3.1 | -176.7 | -159.7 | 63.2 | 0 | 0 | 0 | 114.1 | I249 T255 | I249-N253 PolarHBondContact O-N 3.26Å; N253-T255 VanDerWaalsContact C-N 3.3Å |
| 254 | N | 46.2 | Very low | 51.9 | Low | 148 Ų | 148 | 114.7 Ų | 114.7 | 79% | 0.791 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -4.9 | 173.1 | -71 | -26 | 0 | 0 | 0 | 113 | L252 | L252-N254 PolarHBondContact O-N 3.43Š|
| 255 | T | 45.8 | Very low | 50.8 | Low | 119 Ų | 119 | 122.8 Ų | 122.8 | 73% | 0.73 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -115.9 | 2.8 | -170.2 | 5.7 | 0 | 0 | 0 | 0 | 115.2 | L252 N253 | L252-T255 PolarHBondContact O-OG1 3.41Å; L252-T255 VanDerWaalsContact O-OG1 3.1Å; N253-T255 VanDerWaalsContact C-N 3.3Å |
| 256 | S | 43.5 | Very low | 50.3 | Low | 74 Ų | 74 | 122.6 Ų | 122.6 | 52% | 0.517 | 62% | 0.621 | S | S | . | * | trans | -138.5 | 119.5 | 176.9 | 55.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 257 | P | 47.6 | Very low | 50 | Low | 114 Ų | 114 | 121.6 Ų | 121.6 | 74% | 0.74 | 61% | 0.614 | S | S | * | * | trans | -78 | 157.2 | 164.6 | 33.2 | -32.4 | 0 | 0 | 0 | 110.8 | ||||
| 258 | T | 48.6 | Very low | 50.2 | Low | 133 Ų | 133 | 114.6 Ų | 114.6 | 82% | 0.816 | 58% | 0.584 | S | S | * | * | trans | 72.7 | 99.2 | 173.6 | 76.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 259 | P | 49.8 | Very low | 50.3 | Low | 77 Ų | 77 | 110 Ų | 110 | 50% | 0.5 | 57% | 0.569 | S | S | . | * | trans | -134.6 | 10.1 | 145.6 | 41 | -31.7 | 0 | 0 | 0 | 114.2 | E261 R262 Y263 | P259-E261 PolarHBondContact O-N 3.05Å; P259-R262 PolarHBondContact O-N 3.18Å; P259-Y263 HydrophobicContact CB-CD2 4.34Å; P259-Y263 HydrophobicContact CB-CE2 3.8Å; P259-Y263 HydrophobicContact CG-CD2 4.37Å; P259-Y263 HydrophobicContact CG-CE2 3.8Å; P259-Y263 WeakPolarHBondContact O-CD2 3.45Å | ||
| 260 | A | 48.6 | Very low | 50.9 | Low | 72 Ų | 72 | 110.2 Ų | 110.2 | 60% | 0.595 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -55 | -41.7 | -163.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R262 Y263 | A260-R262 PolarHBondContact O-N 2.94Å; A260-Y263 PolarHBondContact O-N 3.24Å |
| 261 | E | 44.8 | Very low | 51.9 | Low | 184 Ų | 184 | 106.1 Ų | 106.1 | 86% | 0.86 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -72 | -22.6 | -173 | -74.7 | 178.3 | 121.4 | 0 | 0 | 114.9 | P259 | P259-E261 PolarHBondContact O-N 3.05Å |
| 262 | R | 45 | Very low | 53.1 | Low | 205 Ų | 205 | 104.1 Ų | 104.1 | 77% | 0.774 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -81.2 | -16.6 | 177.3 | -79.6 | -170.6 | -177.6 | 170 | 1.2 | 114 | P259 A260 | P259-R262 PolarHBondContact O-N 3.18Å; A260-R262 PolarHBondContact O-N 2.94Å |
| 263 | Y | 46.2 | Very low | 54.3 | Low | 110 Ų | 110 | 101 Ų | 101 | 43% | 0.431 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -79.9 | -21.2 | -176.7 | -79.8 | -75 | 0 | 0 | 0 | 114.1 | P259 A260 R265 C266 | P259-Y263 HydrophobicContact CB-CD2 4.34Å; P259-Y263 HydrophobicContact CB-CE2 3.8Å; P259-Y263 HydrophobicContact CG-CD2 4.37Å; P259-Y263 HydrophobicContact CG-CE2 3.8Å; P259-Y263 WeakPolarHBondContact O-CD2 3.45Å; A260-Y263 PolarHBondContact O-N 3.24Å; Y263-R265 PolarHBondContact O-N 3.01Å; Y263-C266 PolarHBondContact O-N 3.36Å |
| 264 | N | 46.3 | Very low | 55.9 | Low | 122 Ų | 122 | 97.7 Ų | 97.7 | 65% | 0.652 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -2.8 | -174.7 | -74.5 | -17.1 | 0 | 0 | 0 | 115.8 | ||
| 265 | R | 53.1 | Low | 57.7 | Low | 227 Ų | 227 | 93.8 Ų | 93.8 | 86% | 0.857 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.2 | -1.1 | 178 | -77.7 | -177.9 | 173.6 | 141.1 | -0.6 | 115.2 | S104 Y263 | S104-R265 WeakPolarHBondContact CB-O 3.44Å; Y263-R265 PolarHBondContact O-N 3.01Å |
| 266 | C | 58 | Low | 59.7 | Low | 46 Ų | 46 | 94.7 Ų | 94.7 | 31% | 0.311 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -98.2 | 140.4 | 178.9 | -66.2 | 0 | 0 | 0 | 0 | 111.9 | S104 Y263 | S104-C266 VanDerWaalsContact OG-C 3.27Å; S104-C266 PolarHBondContact OG-O 3.05Å; Y263-C266 PolarHBondContact O-N 3.36Å |
| 267 | P | 59.7 | Low | 61.9 | Low | 19 Ų | 19 | 91.2 Ų | 91.2 | 12% | 0.123 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -61 | 142.6 | 166.3 | 25.7 | -32.5 | 0 | 0 | 0 | 109.9 | F109 L165 | F109-P267 HydrophobicContact CE2-CB 4.02Å; F109-P267 HydrophobicContact CZ-CB 4.12Å; L165-P267 HydrophobicContact CD2-CB 4.18Å; L165-P267 HydrophobicContact CD2-CG 3.84Å |
| 268 | F | 64.7 | Low | 64 | Low | 21 Ų | 21 | 85.8 Ų | 85.8 | 9% | 0.092 | 42% | 0.422 | C | S | . | . | S | Bend | trans | 51.4 | 66 | -173.3 | -50.7 | -82.2 | 0 | 0 | 0 | 112.5 | F109 L166 R169 W274 A277 V338 | F109-F268 HydrophobicContact CE1-CE2 4.07Å; F109-F268 AromaticContact CE1-CZ 3.98Å; F109-F268 HydrophobicContact CE1-CZ 3.98Å; F109-F268 AromaticContact CZ-CE2 3.8Å; F109-F268 HydrophobicContact CZ-CE2 3.8Å; F109-F268 HydrophobicContact CZ-CZ 4.02Å; L166-F268 HydrophobicContact CD1-CD2 4.42Å; L166-F268 HydrophobicContact CD1-CE2 3.97Å; L166-F268 HydrophobicContact CD1-CZ 4.44Å; R169-F268 WeakPolarHBondContact CD-O 3.47Å; R169-F268 PolarHBondContact NH1-O 3.38Å; F268-W274 HydrophobicContact CB-CB 4.03Å; F268-A277 HydrophobicContact CD1-CB 3.92Å; F268-A277 HydrophobicContact CE1-CB 3.62Å; F268-A277 HydrophobicContact CZ-CB 4.11Å; F268-V338 HydrophobicContact CZ-CG1 3.85Å |
| 269 | A | 56.8 | Low | 66 | Low | 35 Ų | 35 | 82.6 Ų | 82.6 | 29% | 0.289 | 40% | 0.399 | S | S | . | . | trans | -74.4 | -40.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R169 | R169-A269 PolarHBondContact NH1-O 2.97Å; R169-A269 PolarHBondContact NH2-O 2.87Å | ||
| 270 | E | 67.8 | Low | 68.1 | Low | 87 Ų | 87 | 80.4 Ų | 80.4 | 41% | 0.407 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -72.5 | 133.7 | 178.9 | -166.4 | 178.3 | 132.2 | 0 | 0 | 111.3 | R169 R272 D273 W274 | R169-E270 PolarHBondContact NH1-O 2.85Å; E270-R272 VanDerWaalsContact C-N 3.31Å; E270-R272 HydrophobicContact CG-CB 4.29Å; E270-R272 PolarHBondContact O-N 2.86Å; E270-R272 WeakPolarHBondContact OE1-CB 3.37Å; E270-R272 IonicContact OE1-CZ 3.51Å; E270-R272 IonicContact OE1-NE 2.73Å; E270-R272 PolarHBondContact OE1-NE 3.35Å; E270-R272 IonicContact OE1-NH2 3.55Å; E270-R272 PolarHBondContact OE1-NH2 3.49Å; E270-R272 IonicContact OE2-NH2 2.71Å; E270-D273 HydrophobicContact CB-CB 4.49Å; E270-D273 PolarHBondContact O-N 3.07Å; E270-W274 PolarHBondContact O-N 3.43Å |
| 271 | S | 69.1 | Low | 70.3 | Confident | 70 Ų | 70 | 77 Ų | 77 | 49% | 0.49 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.2 | -32.5 | -176.2 | 53.8 | 0 | 0 | 0 | 0 | 113.3 | N275 | S271-N275 WeakPolarHBondContact O-CB 3.24Å; S271-N275 PolarHBondContact O-N 3.41Å |
| 272 | R | 72.5 | Confident | 72.7 | Confident | 119 Ų | 119 | 69.1 Ų | 69.1 | 45% | 0.449 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 175.7 | -178.6 | 171.7 | 56.1 | 142.7 | 6.7 | 111.5 | E270 N275 R276 | E270-R272 VanDerWaalsContact C-N 3.31Å; E270-R272 HydrophobicContact CG-CB 4.29Å; E270-R272 PolarHBondContact O-N 2.86Å; E270-R272 WeakPolarHBondContact OE1-CB 3.37Å; E270-R272 IonicContact OE1-CZ 3.51Å; E270-R272 IonicContact OE1-NE 2.73Å; E270-R272 PolarHBondContact OE1-NE 3.35Å; E270-R272 IonicContact OE1-NH2 3.55Å; E270-R272 PolarHBondContact OE1-NH2 3.49Å; E270-R272 IonicContact OE2-NH2 2.71Å; R272-N275 PolarHBondContact O-N 3.46Å; R272-R276 WeakPolarHBondContact O-CG 3.3Å; R272-R276 PolarHBondContact O-N 3.49Å |
| 273 | D | 76.9 | Confident | 75.1 | Confident | 44 Ų | 44 | 63.1 Ų | 63.1 | 24% | 0.235 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71.1 | -40.9 | -178.3 | -62.6 | -23.5 | 0 | 0 | 0 | 112 | E270 N275 R276 A277 | E270-D273 HydrophobicContact CB-CB 4.49Å; E270-D273 PolarHBondContact O-N 3.07Å; D273-N275 VanDerWaalsContact C-N 3.33Å; D273-N275 PolarHBondContact O-N 2.95Å; D273-R276 PolarHBondContact O-N 3.33Å; D273-A277 WeakPolarHBondContact O-CB 3.25Å; D273-A277 PolarHBondContact O-N 3.02Å |
| 274 | W | 83.1 | Confident | 77.5 | Confident | 26 Ų | 26 | 57.9 Ų | 57.9 | 10% | 0.098 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 172.9 | -178 | 95 | 0 | 0 | 0 | 112 | L166 F238 V242 F268 E270 R276 A277 A278 | L166-W274 PolarHBondContact O-NE1 2.95Å; L166-W274 VanDerWaalsContact O-NE1 3.17Å; F238-W274 HydrophobicContact CE1-CZ2 4.04Å; F238-W274 HydrophobicContact CZ-CZ2 4.21Å; V242-W274 HydrophobicContact CB-CH2 3.98Å; V242-W274 HydrophobicContact CG1-CH2 3.4Å; V242-W274 VanDerWaalsContact CG1-CH2 3.4Å; V242-W274 HydrophobicContact CG1-CZ2 4Å; V242-W274 HydrophobicContact CG1-CZ3 3.99Å; V242-W274 HydrophobicContact CG2-CH2 4.14Å; V242-W274 HydrophobicContact CG2-CZ2 4.2Å; F268-W274 HydrophobicContact CB-CB 4.03Å; E270-W274 PolarHBondContact O-N 3.43Å; W274-R276 VanDerWaalsContact C-N 3.35Å; W274-R276 PolarHBondContact O-N 3.27Å; W274-A277 PolarHBondContact O-N 3.3Å; W274-A278 HydrophobicContact CD2-CB 4.37Å; W274-A278 HydrophobicContact CE3-CB 4.16Å; W274-A278 HydrophobicContact CH2-CB 3.85Å; W274-A278 HydrophobicContact CZ2-CB 4.13Å; W274-A278 HydrophobicContact CZ3-CB 3.89Å; W274-A278 WeakPolarHBondContact O-CB 3.23Å; W274-A278 PolarHBondContact O-N 3.39Å |
| 275 | N | 84.3 | Confident | 79.9 | Confident | 66 Ų | 66 | 52.1 Ų | 52.1 | 35% | 0.353 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.1 | -37.9 | 176.3 | -177 | 53.8 | 0 | 0 | 0 | 111.7 | S271 R272 D273 I279 | S271-N275 WeakPolarHBondContact O-CB 3.24Å; S271-N275 PolarHBondContact O-N 3.41Å; R272-N275 PolarHBondContact O-N 3.46Å; D273-N275 VanDerWaalsContact C-N 3.33Å; D273-N275 PolarHBondContact O-N 2.95Å; N275-I279 WeakPolarHBondContact O-CD1 3.12Å; N275-I279 VanDerWaalsContact O-CG1 3.24Å; N275-I279 WeakPolarHBondContact O-CG1 3.49Å; N275-I279 PolarHBondContact O-N 2.84Å |
| 276 | R | 87.4 | Confident | 82 | Confident | 138 Ų | 138 | 45.9 Ų | 45.9 | 52% | 0.521 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.1 | -51.6 | 172 | -73.2 | 172 | 171.8 | -165.2 | -5.4 | 111.2 | R272 D273 W274 A278 I279 T280 | R272-R276 WeakPolarHBondContact O-CG 3.3Å; R272-R276 PolarHBondContact O-N 3.49Å; D273-R276 PolarHBondContact O-N 3.33Å; W274-R276 VanDerWaalsContact C-N 3.35Å; W274-R276 PolarHBondContact O-N 3.27Å; R276-A278 VanDerWaalsContact C-N 3.35Å; R276-A278 PolarHBondContact O-N 3.49Å; R276-I279 PolarHBondContact O-N 3.27Å; R276-T280 PolarHBondContact O-N 3.01Å; R276-T280 PolarHBondContact O-OG1 3.09Å; R276-T280 VanDerWaalsContact O-OG1 3.05Å |
| 277 | A | 90.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55.6 | -47.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L166 F268 D273 W274 I279 T280 V281 V338 | L166-A277 HydrophobicContact CD1-CB 4.47Å; F268-A277 HydrophobicContact CD1-CB 3.92Å; F268-A277 HydrophobicContact CE1-CB 3.62Å; F268-A277 HydrophobicContact CZ-CB 4.11Å; D273-A277 WeakPolarHBondContact O-CB 3.25Å; D273-A277 PolarHBondContact O-N 3.02Å; W274-A277 PolarHBondContact O-N 3.3Å; A277-I279 VanDerWaalsContact C-N 3.35Å; A277-I279 PolarHBondContact O-N 3.03Å; A277-T280 VanDerWaalsContact CA-OG1 3.3Å; A277-T280 WeakPolarHBondContact CA-OG1 3.36Å; A277-T280 PolarHBondContact O-N 3.26Å; A277-T280 VanDerWaalsContact O-N 3.16Å; A277-T280 PolarHBondContact O-OG1 3.34Å; A277-V281 VanDerWaalsContact O-CG2 3.32Å; A277-V281 WeakPolarHBondContact O-CG2 3.37Å; A277-V281 PolarHBondContact O-N 2.94Å; A277-V338 HydrophobicContact CB-CG1 4.42Å |
| 278 | A | 90.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65 | -34.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L166 Y235 Y239 W274 R276 C282 | L166-A278 HydrophobicContact CD2-CB 3.97Å; Y235-A278 VanDerWaalsContact OH-CA 3.22Å; Y235-A278 WeakPolarHBondContact OH-CA 3.37Å; Y235-A278 PolarHBondContact OH-O 2.89Å; Y239-A278 HydrophobicContact CD2-CB 4.33Å; Y239-A278 HydrophobicContact CE2-CB 4.29Å; W274-A278 HydrophobicContact CD2-CB 4.37Å; W274-A278 HydrophobicContact CE3-CB 4.16Å; W274-A278 HydrophobicContact CH2-CB 3.85Å; W274-A278 HydrophobicContact CZ2-CB 4.13Å; W274-A278 HydrophobicContact CZ3-CB 3.89Å; W274-A278 WeakPolarHBondContact O-CB 3.23Å; W274-A278 PolarHBondContact O-N 3.39Å; R276-A278 VanDerWaalsContact C-N 3.35Å; R276-A278 PolarHBondContact O-N 3.49Å; A278-C282 WeakPolarHBondContact O-CB 3.31Å; A278-C282 PolarHBondContact O-N 2.87Å |
| 279 | I | 91.4 | Very high | 87.2 | Confident | 67 Ų | 67 | 49.4 Ų | 49.4 | 34% | 0.344 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.8 | -45.4 | 171.8 | -68.8 | 164.1 | 0 | 0 | 0 | 110.1 | N275 R276 A277 V281 C282 L283 | N275-I279 WeakPolarHBondContact O-CD1 3.12Å; N275-I279 VanDerWaalsContact O-CG1 3.24Å; N275-I279 WeakPolarHBondContact O-CG1 3.49Å; N275-I279 PolarHBondContact O-N 2.84Å; R276-I279 PolarHBondContact O-N 3.27Å; A277-I279 VanDerWaalsContact C-N 3.35Å; A277-I279 PolarHBondContact O-N 3.03Å; I279-V281 VanDerWaalsContact C-N 3.34Å; I279-V281 PolarHBondContact O-N 3.49Å; I279-C282 VanDerWaalsContact O-CB 3.26Å; I279-C282 WeakPolarHBondContact O-CB 3.38Å; I279-C282 PolarHBondContact O-N 3.13Å; I279-C282 VanDerWaalsContact O-N 3.09Å; I279-L283 HydrophobicContact CG2-CD1 4.14Å; I279-L283 VanDerWaalsContact O-CD1 3.28Å; I279-L283 WeakPolarHBondContact O-CD1 3.46Å; I279-L283 PolarHBondContact O-N 2.92Å; I279-L283 VanDerWaalsContact O-N 3.09Å |
| 280 | T | 94 | Very high | 89.1 | Confident | 30 Ų | 30 | 49.6 Ų | 49.6 | 18% | 0.184 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.8 | -35.7 | 177.3 | 41.7 | 0 | 0 | 0 | 0 | 113.4 | R276 A277 C282 L283 S284 V338 | R276-T280 PolarHBondContact O-N 3.01Å; R276-T280 PolarHBondContact O-OG1 3.09Å; R276-T280 VanDerWaalsContact O-OG1 3.05Å; A277-T280 VanDerWaalsContact CA-OG1 3.3Å; A277-T280 WeakPolarHBondContact CA-OG1 3.36Å; A277-T280 PolarHBondContact O-N 3.26Å; A277-T280 VanDerWaalsContact O-N 3.16Å; A277-T280 PolarHBondContact O-OG1 3.34Å; T280-C282 VanDerWaalsContact C-N 3.34Å; T280-L283 PolarHBondContact O-N 2.78Å; T280-S284 PolarHBondContact O-N 3.34Å; T280-V338 VanDerWaalsContact OG1-CG2 3.23Å; T280-V338 WeakPolarHBondContact OG1-CG2 3.36Å |
| 281 | V | 94.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -72.6 | -28.1 | 173.1 | -179 | 0 | 0 | 0 | 0 | 111.7 | F159 V162 L166 Y235 A277 I279 S284 A285 V338 | F159-V281 HydrophobicContact CE2-CG1 4.1Å; F159-V281 HydrophobicContact CZ-CG1 4.36Å; V162-V281 HydrophobicContact CG1-CG1 4.45Å; V162-V281 HydrophobicContact CG1-CG2 3.43Å; V162-V281 VanDerWaalsContact CG1-CG2 3.43Å; L166-V281 HydrophobicContact CD1-CG2 4.32Å; L166-V281 HydrophobicContact CD2-CB 4.22Å; L166-V281 HydrophobicContact CD2-CG2 3.95Å; Y235-V281 HydrophobicContact CD1-CG1 4.23Å; Y235-V281 HydrophobicContact CD2-CG1 3.76Å; Y235-V281 HydrophobicContact CE1-CB 4.24Å; Y235-V281 HydrophobicContact CE1-CG1 3.91Å; Y235-V281 HydrophobicContact CE2-CB 4.03Å; Y235-V281 HydrophobicContact CE2-CG1 3.41Å; Y235-V281 VanDerWaalsContact CE2-CG1 3.41Å; Y235-V281 HydrophobicContact CG-CG1 4.17Å; A277-V281 VanDerWaalsContact O-CG2 3.32Å; A277-V281 WeakPolarHBondContact O-CG2 3.37Å; A277-V281 PolarHBondContact O-N 2.94Å; I279-V281 VanDerWaalsContact C-N 3.34Å; I279-V281 PolarHBondContact O-N 3.49Å; V281-S284 WeakPolarHBondContact CA-OG 3.31Å; V281-S284 PolarHBondContact O-N 3.14Å; V281-S284 PolarHBondContact O-OG 3.13Å; V281-A285 WeakPolarHBondContact O-CB 3.12Å; V281-A285 PolarHBondContact O-N 3.41Å; V281-V338 HydrophobicContact CG2-CG1 4.34Å; V281-V338 HydrophobicContact CG2-CG2 3.69Å |
| 282 | C | 95.3 | Very high | 91.7 | Very high | 20 Ų | 20 | 42.5 Ų | 42.5 | 14% | 0.135 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.9 | -42.2 | 170.9 | -168 | 0 | 0 | 0 | 0 | 111.5 | Y235 A278 I279 T280 A285 L286 | Y235-C282 HydrophobicContact CE1-CB 4.06Å; A278-C282 WeakPolarHBondContact O-CB 3.31Å; A278-C282 PolarHBondContact O-N 2.87Å; I279-C282 VanDerWaalsContact O-CB 3.26Å; I279-C282 WeakPolarHBondContact O-CB 3.38Å; I279-C282 PolarHBondContact O-N 3.13Å; I279-C282 VanDerWaalsContact O-N 3.09Å; T280-C282 VanDerWaalsContact C-N 3.34Å; C282-A285 PolarHBondContact O-N 2.99Å; C282-L286 WeakPolarHBondContact O-CG 3.22Å; C282-L286 PolarHBondContact O-N 2.94Å; C282-L286 VanDerWaalsContact O-N 3.13Å |
| 283 | L | 96.1 | Very high | 92.8 | Very high | 79 Ų | 79 | 38.7 Ų | 38.7 | 41% | 0.414 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.7 | -42 | 170 | -82.6 | 92.2 | 0 | 0 | 0 | 112 | I279 T280 A285 L286 F287 T334 | I279-L283 HydrophobicContact CG2-CD1 4.14Å; I279-L283 VanDerWaalsContact O-CD1 3.28Å; I279-L283 WeakPolarHBondContact O-CD1 3.46Å; I279-L283 PolarHBondContact O-N 2.92Å; I279-L283 VanDerWaalsContact O-N 3.09Å; T280-L283 PolarHBondContact O-N 2.78Å; L283-A285 VanDerWaalsContact C-N 3.27Å; L283-A285 PolarHBondContact O-N 3.38Å; L283-L286 PolarHBondContact O-N 3.38Å; L283-F287 HydrophobicContact CB-CE2 4.49Å; L283-F287 WeakPolarHBondContact O-CD2 3.35Å; L283-F287 PolarHBondContact O-N 3.34Å; L283-T334 HydrophobicContact CB-CG2 4.11Å |
| 284 | S | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.2 | -34 | 177.9 | 83 | 0 | 0 | 0 | 0 | 112.4 | F159 T280 V281 F287 S288 T334 | F159-S284 WeakPolarHBondContact CD2-OG 3.35Å; F159-S284 WeakPolarHBondContact CE2-OG 3.42Å; T280-S284 PolarHBondContact O-N 3.34Å; V281-S284 WeakPolarHBondContact CA-OG 3.31Å; V281-S284 PolarHBondContact O-N 3.14Å; V281-S284 PolarHBondContact O-OG 3.13Å; S284-F287 PolarHBondContact O-N 3.2Å; S284-S288 WeakPolarHBondContact O-CB 3.29Å; S284-S288 PolarHBondContact O-N 3.33Å; S284-T334 WeakPolarHBondContact CA-OG1 3.44Å; S284-T334 WeakPolarHBondContact CB-OG1 3.36Å |
| 285 | A | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.5 | -38.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F159 Y235 F236 V281 C282 L283 S288 L289 | F159-A285 HydrophobicContact CE2-CB 3.87Å; F159-A285 HydrophobicContact CZ-CB 3.79Å; Y235-A285 HydrophobicContact CD1-CB 3.95Å; F236-A285 HydrophobicContact CE1-CB 4.16Å; F236-A285 HydrophobicContact CE2-CB 3.94Å; F236-A285 HydrophobicContact CZ-CB 3.63Å; V281-A285 WeakPolarHBondContact O-CB 3.12Å; V281-A285 PolarHBondContact O-N 3.41Å; C282-A285 PolarHBondContact O-N 2.99Å; L283-A285 VanDerWaalsContact C-N 3.27Å; L283-A285 PolarHBondContact O-N 3.38Å; A285-S288 PolarHBondContact O-N 3.47Å; A285-L289 WeakPolarHBondContact O-CB 3.41Å; A285-L289 PolarHBondContact O-N 2.85Å |
| 286 | L | 97.1 | Very high | 94.4 | Very high | 97 Ų | 97 | 39.5 Ų | 39.5 | 51% | 0.508 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.4 | -46.1 | 173.9 | -69.2 | 170 | 0 | 0 | 0 | 111.6 | F236 C282 L283 S288 L289 A290 | F236-L286 HydrophobicContact CE1-CD2 4.29Å; F236-L286 HydrophobicContact CE1-CG 4.38Å; F236-L286 HydrophobicContact CZ-CD2 3.72Å; F236-L286 HydrophobicContact CZ-CG 3.94Å; C282-L286 WeakPolarHBondContact O-CG 3.22Å; C282-L286 PolarHBondContact O-N 2.94Å; C282-L286 VanDerWaalsContact O-N 3.13Å; L283-L286 PolarHBondContact O-N 3.38Å; L286-S288 VanDerWaalsContact C-N 3.34Å; L286-S288 PolarHBondContact O-N 3.44Å; L286-L289 PolarHBondContact O-N 3.41Å; L286-A290 PolarHBondContact O-N 3.26Å |
| 287 | F | 97.3 | Very high | 94.6 | Very high | 72 Ų | 72 | 36.5 Ų | 36.5 | 32% | 0.316 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.2 | -36.6 | 175.3 | -72.1 | -61.8 | 0 | 0 | 0 | 112.4 | L283 S284 A290 C291 V331 T334 | L283-F287 HydrophobicContact CB-CE2 4.49Å; L283-F287 WeakPolarHBondContact O-CD2 3.35Å; L283-F287 PolarHBondContact O-N 3.34Å; S284-F287 PolarHBondContact O-N 3.2Å; F287-A290 PolarHBondContact O-N 3.49Å; F287-C291 PolarHBondContact O-N 2.87Å; F287-C291 PolarHBondContact O-SG 3.42Å; F287-V331 HydrophobicContact CB-CG2 3.64Å; F287-T334 HydrophobicContact CD2-CG2 4.44Å; F287-T334 HydrophobicContact CE2-CG2 4.42Å |
| 288 | S | 96.1 | Very high | 94.5 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 5% | 0.049 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 174.9 | 174.5 | 0 | 0 | 0 | 0 | 111.7 | S232 S284 A285 L286 C291 A292 V331 | S232-S288 WeakPolarHBondContact OG-CB 3.48Å; S232-S288 PolarHBondContact OG-OG 2.97Å; S232-S288 VanDerWaalsContact OG-OG 3.07Å; S284-S288 WeakPolarHBondContact O-CB 3.29Å; S284-S288 PolarHBondContact O-N 3.33Å; A285-S288 PolarHBondContact O-N 3.47Å; L286-S288 VanDerWaalsContact C-N 3.34Å; L286-S288 PolarHBondContact O-N 3.44Å; S288-C291 WeakPolarHBondContact O-CB 3.12Å; S288-C291 PolarHBondContact O-N 3.38Å; S288-A292 WeakPolarHBondContact O-CB 3.49Å; S288-A292 PolarHBondContact O-N 3.3Å; S288-V331 VanDerWaalsContact N-CG2 3.32Å |
| 289 | L | 96.4 | Very high | 94.4 | Very high | 80 Ų | 80 | 37.5 Ų | 37.5 | 42% | 0.419 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.5 | -39.1 | 174.5 | -173.2 | 62.9 | 0 | 0 | 0 | 111.9 | T229 A285 L286 A292 G293 | T229-L289 HydrophobicContact CG2-CD1 3.98Å; A285-L289 WeakPolarHBondContact O-CB 3.41Å; A285-L289 PolarHBondContact O-N 2.85Å; L286-L289 PolarHBondContact O-N 3.41Å; L289-A292 PolarHBondContact O-N 3.43Å; L289-G293 PolarHBondContact O-N 3.39Å |
| 290 | A | 97 | Very high | 94.2 | Very high | 40 Ų | 40 | 36 Ų | 36 | 33% | 0.331 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.3 | -44.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L286 F287 A292 G293 L294 C327 | L286-A290 PolarHBondContact O-N 3.26Å; F287-A290 PolarHBondContact O-N 3.49Å; A290-A292 VanDerWaalsContact C-N 3.33Å; A290-A292 PolarHBondContact O-N 2.95Å; A290-G293 PolarHBondContact O-N 3.29Å; A290-L294 WeakPolarHBondContact O-CG 3.38Å; A290-L294 PolarHBondContact O-N 3Å; A290-C327 HydrophobicContact CB-CB 4.44Å |
| 291 | C | 95 | Very high | 93.7 | Very high | 7 Ų | 7 | 35 Ų | 35 | 5% | 0.047 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -54.1 | -48.7 | 170.4 | -79.7 | 0 | 0 | 0 | 0 | 111.7 | F224 F287 S288 L294 Q295 C327 E328 | F224-C291 HydrophobicContact CE1-CB 4.23Å; F224-C291 HydrophobicContact CZ-CB 4.03Å; F287-C291 PolarHBondContact O-N 2.87Å; F287-C291 PolarHBondContact O-SG 3.42Å; S288-C291 WeakPolarHBondContact O-CB 3.12Å; S288-C291 PolarHBondContact O-N 3.38Å; C291-L294 PolarHBondContact O-N 3.05Å; C291-Q295 WeakPolarHBondContact O-CG 3.3Å; C291-Q295 PolarHBondContact O-N 3.31Å; C291-C327 HydrophobicContact CB-CB 4.46Å; C291-C327 WeakPolarHBondContact SG-CB 3.01Å; C291-E328 PolarHBondContact SG-N 2.99Å; C291-E328 VanDerWaalsContact SG-N 3.35Å |
| 292 | A | 96.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.3 | -40 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V225 A228 T229 S288 L289 A290 Q295 F296 | V225-A292 HydrophobicContact CG1-CB 4.45Å; A228-A292 HydrophobicContact CB-CB 4.11Å; T229-A292 HydrophobicContact CG2-CB 3.79Å; S288-A292 WeakPolarHBondContact O-CB 3.49Å; S288-A292 PolarHBondContact O-N 3.3Å; L289-A292 PolarHBondContact O-N 3.43Å; A290-A292 VanDerWaalsContact C-N 3.33Å; A290-A292 PolarHBondContact O-N 2.95Å; A292-Q295 PolarHBondContact O-N 3.37Å; A292-F296 VanDerWaalsContact O-CB 3.25Å; A292-F296 WeakPolarHBondContact O-CB 3.27Å; A292-F296 PolarHBondContact O-N 3.45Å |
| 293 | G | 95.7 | Very high | 92.5 | Very high | 39 Ų | 39 | 40.5 Ų | 40.5 | 40% | 0.402 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.7 | -44.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | L289 A290 F296 Y297 | L289-G293 PolarHBondContact O-N 3.39Å; A290-G293 PolarHBondContact O-N 3.29Å; G293-F296 PolarHBondContact O-N 2.98Å; G293-Y297 WeakPolarHBondContact O-CB 3.15Å; G293-Y297 PolarHBondContact O-N 3.08Å |
| 294 | L | 93.6 | Very high | 91.6 | Very high | 39 Ų | 39 | 39.3 Ų | 39.3 | 20% | 0.204 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.8 | -41.7 | 176.4 | -70.1 | 171 | 0 | 0 | 0 | 112.3 | A290 C291 Y297 A298 F320 | A290-L294 WeakPolarHBondContact O-CG 3.38Å; A290-L294 PolarHBondContact O-N 3Å; C291-L294 PolarHBondContact O-N 3.05Å; L294-Y297 PolarHBondContact O-N 2.96Å; L294-A298 PolarHBondContact O-N 2.88Å; L294-F320 HydrophobicContact CB-CE2 4.09Å; L294-F320 HydrophobicContact CD2-CD2 4.11Å; L294-F320 HydrophobicContact CD2-CE2 3.86Å; L294-F320 WeakPolarHBondContact O-CZ 3.37Å |
| 295 | Q | 92.6 | Very high | 90.8 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 3% | 0.033 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.5 | -36.6 | 175.8 | -66.4 | -58.3 | -24 | 0 | 0 | 112.3 | F152 F224 V225 C291 A292 A298 M299 | F152-Q295 HydrophobicContact CE1-CG 4.45Å; F224-Q295 HydrophobicContact CD1-CB 4.34Å; F224-Q295 HydrophobicContact CD1-CG 4.05Å; F224-Q295 HydrophobicContact CE1-CB 4.47Å; F224-Q295 HydrophobicContact CE1-CG 3.92Å; V225-Q295 HydrophobicContact CG2-CB 3.77Å; C291-Q295 WeakPolarHBondContact O-CG 3.3Å; C291-Q295 PolarHBondContact O-N 3.31Å; A292-Q295 PolarHBondContact O-N 3.37Å; Q295-A298 WeakPolarHBondContact O-CB 3.45Å; Q295-A298 PolarHBondContact O-N 2.89Å; Q295-M299 WeakPolarHBondContact O-CG 3.37Å; Q295-M299 PolarHBondContact O-N 2.89Å |
| 296 | F | 92.9 | Very high | 89.5 | Confident | 106 Ų | 106 | 47.7 Ų | 47.7 | 47% | 0.465 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 173.7 | -177.1 | -119.6 | 0 | 0 | 0 | 111.7 | V225 A292 G293 A298 M299 L300 | V225-F296 HydrophobicContact CG1-CB 4.05Å; V225-F296 HydrophobicContact CG1-CD2 4.39Å; V225-F296 HydrophobicContact CG2-CB 4.3Å; A292-F296 VanDerWaalsContact O-CB 3.25Å; A292-F296 WeakPolarHBondContact O-CB 3.27Å; A292-F296 PolarHBondContact O-N 3.45Å; G293-F296 PolarHBondContact O-N 2.98Å; F296-A298 PolarHBondContact O-N 3.27Å; F296-M299 WeakPolarHBondContact O-CB 3.32Å; F296-M299 PolarHBondContact O-N 3.43Å; F296-M299 VanDerWaalsContact O-N 3.12Å; F296-L300 HydrophobicContact CD1-CD1 3.99Å; F296-L300 HydrophobicContact CE1-CD1 3.59Å; F296-L300 HydrophobicContact CE1-CG 4.24Å; F296-L300 HydrophobicContact CE2-CD2 4.35Å; F296-L300 HydrophobicContact CE2-CG 4.35Å; F296-L300 HydrophobicContact CZ-CD1 3.91Å; F296-L300 HydrophobicContact CZ-CD2 4.1Å; F296-L300 HydrophobicContact CZ-CG 4.14Å; F296-L300 WeakPolarHBondContact O-CG 3.46Å; F296-L300 PolarHBondContact O-N 2.88Å |
| 297 | Y | 91.2 | Very high | 87.6 | Confident | 75 Ų | 75 | 44.5 Ų | 44.5 | 29% | 0.294 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.9 | -42.3 | 172.3 | 173.6 | -100.8 | 0 | 0 | 0 | 112.1 | G293 L294 M299 L300 N301 I306 F312 F320 | G293-Y297 WeakPolarHBondContact O-CB 3.15Å; G293-Y297 PolarHBondContact O-N 3.08Å; L294-Y297 PolarHBondContact O-N 2.96Å; Y297-M299 VanDerWaalsContact C-N 3.32Å; Y297-M299 PolarHBondContact O-N 3.38Å; Y297-L300 PolarHBondContact O-N 2.88Å; Y297-N301 WeakPolarHBondContact O-CB 3.43Å; Y297-N301 PolarHBondContact O-N 3.24Å; Y297-I306 HydrophobicContact CD2-CD1 4.43Å; Y297-I306 HydrophobicContact CD2-CG2 4.28Å; Y297-I306 HydrophobicContact CE2-CG2 3.65Å; Y297-F312 HydrophobicContact CE1-CE1 4.38Å; Y297-F312 AromaticContact CE1-CZ 3.71Å; Y297-F312 HydrophobicContact CE1-CZ 3.71Å; Y297-F312 AromaticContact CZ-CZ 3.99Å; Y297-F312 WeakPolarHBondContact OH-CZ 3.42Å; Y297-F320 HydrophobicContact CD1-CD2 4.05Å; Y297-F320 AromaticContact CD1-CE2 3.65Å; Y297-F320 HydrophobicContact CD1-CE2 3.65Å; Y297-F320 HydrophobicContact CD1-CZ 4.41Å; Y297-F320 HydrophobicContact CE1-CD2 4.12Å; Y297-F320 HydrophobicContact CE1-CE2 4.18Å |
| 298 | A | 88.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.5 | -36.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L55 V56 L294 Q295 F296 A302 F320 | L55-A298 HydrophobicContact CB-CB 4.31Å; V56-A298 HydrophobicContact CG2-CB 3.76Å; L294-A298 PolarHBondContact O-N 2.88Å; Q295-A298 WeakPolarHBondContact O-CB 3.45Å; Q295-A298 PolarHBondContact O-N 2.89Å; F296-A298 PolarHBondContact O-N 3.27Å; A298-A302 WeakPolarHBondContact O-CB 3.4Å; A298-A302 PolarHBondContact O-N 2.83Å; A298-F320 HydrophobicContact CB-CE1 4.34Å; A298-F320 HydrophobicContact CB-CZ 3.9Å |
| 299 | M | 89.1 | Confident | 83.9 | Confident | 21 Ų | 21 | 51.6 Ų | 51.6 | 10% | 0.103 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.4 | -44.7 | 173.7 | -67.1 | 174 | 66.3 | 0 | 0 | 112.1 | L55 L218 R221 V225 Q295 F296 Y297 N301 A302 M303 | L55-M299 HydrophobicContact CD2-CG 3.92Å; L218-M299 HydrophobicContact CB-CE 4.38Å; L218-M299 HydrophobicContact CD2-CB 3.91Å; L218-M299 HydrophobicContact CD2-CE 4.07Å; L218-M299 HydrophobicContact CD2-CG 3.96Å; L218-M299 VanDerWaalsContact O-CE 3.3Å; L218-M299 WeakPolarHBondContact O-CE 3.39Å; R221-M299 HydrophobicContact CB-CG 3.9Å; R221-M299 HydrophobicContact CB-SD 3.75Å; V225-M299 HydrophobicContact CG2-SD 4.25Å; Q295-M299 WeakPolarHBondContact O-CG 3.37Å; Q295-M299 PolarHBondContact O-N 2.89Å; F296-M299 WeakPolarHBondContact O-CB 3.32Å; F296-M299 PolarHBondContact O-N 3.43Å; F296-M299 VanDerWaalsContact O-N 3.12Å; Y297-M299 VanDerWaalsContact C-N 3.32Å; Y297-M299 PolarHBondContact O-N 3.38Å; M299-N301 VanDerWaalsContact C-N 3.29Å; M299-N301 PolarHBondContact O-N 3.01Å; M299-A302 PolarHBondContact O-N 3.39Å; M299-M303 WeakPolarHBondContact O-CG 3.38Å; M299-M303 PolarHBondContact O-N 2.82Å |
| 300 | L | 86.8 | Confident | 82.2 | Confident | 35 Ų | 35 | 54 Ų | 54 | 18% | 0.183 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.8 | -34.7 | 176.6 | -66.6 | 176.6 | 0 | 0 | 0 | 112.1 | F296 Y297 M303 G304 V305 I306 | F296-L300 HydrophobicContact CD1-CD1 3.99Å; F296-L300 HydrophobicContact CE1-CD1 3.59Å; F296-L300 HydrophobicContact CE1-CG 4.24Å; F296-L300 HydrophobicContact CE2-CD2 4.35Å; F296-L300 HydrophobicContact CE2-CG 4.35Å; F296-L300 HydrophobicContact CZ-CD1 3.91Å; F296-L300 HydrophobicContact CZ-CD2 4.1Å; F296-L300 HydrophobicContact CZ-CG 4.14Å; F296-L300 WeakPolarHBondContact O-CG 3.46Å; F296-L300 PolarHBondContact O-N 2.88Å; Y297-L300 PolarHBondContact O-N 2.88Å; L300-M303 HydrophobicContact CD2-CE 3.78Å; L300-G304 PolarHBondContact O-N 2.71Å; L300-V305 PolarHBondContact O-N 3.37Å; L300-I306 HydrophobicContact CB-CB 4.48Å; L300-I306 HydrophobicContact CB-CD1 3.72Å; L300-I306 HydrophobicContact CB-CG1 4.04Å; L300-I306 HydrophobicContact CD1-CD1 3.53Å; L300-I306 HydrophobicContact CG-CD1 4.26Å |
| 301 | N | 83.9 | Confident | 80.6 | Confident | 11 Ų | 11 | 54.8 Ų | 54.8 | 6% | 0.059 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.7 | -48.5 | 171.2 | -174.4 | 71.5 | 0 | 0 | 0 | 112 | Y297 M299 M303 G304 F312 | Y297-N301 WeakPolarHBondContact O-CB 3.43Å; Y297-N301 PolarHBondContact O-N 3.24Å; M299-N301 VanDerWaalsContact C-N 3.29Å; M299-N301 PolarHBondContact O-N 3.01Å; N301-M303 PolarHBondContact O-N 3.36Å; N301-G304 PolarHBondContact O-N 3.4Å; N301-F312 WeakPolarHBondContact OD1-CE2 3.35Å |
| 302 | A | 81.8 | Confident | 79.4 | Confident | 38 Ų | 38 | 54.7 Ų | 54.7 | 31% | 0.314 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.6 | -24.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L55 A298 M299 G304 | L55-A302 HydrophobicContact CB-CB 4.02Å; L55-A302 HydrophobicContact CD2-CB 4.08Å; L55-A302 HydrophobicContact CG-CB 3.83Å; A298-A302 WeakPolarHBondContact O-CB 3.4Å; A298-A302 PolarHBondContact O-N 2.83Å; M299-A302 PolarHBondContact O-N 3.39Å; A302-G304 VanDerWaalsContact C-N 3.35Å |
| 303 | M | 82.3 | Confident | 78.6 | Confident | 97 Ų | 97 | 60.4 Ų | 60.4 | 48% | 0.478 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 1.6 | 172.8 | -66.8 | -174.6 | -62 | 0 | 0 | 113.9 | L218 M299 L300 N301 V305 | L218-M303 HydrophobicContact CD1-CG 3.86Å; L218-M303 HydrophobicContact CD1-SD 4.19Å; L218-M303 HydrophobicContact CD2-CG 4.23Å; M299-M303 WeakPolarHBondContact O-CG 3.38Å; M299-M303 PolarHBondContact O-N 2.82Å; L300-M303 HydrophobicContact CD2-CE 3.78Å; N301-M303 PolarHBondContact O-N 3.36Å; M303-V305 VanDerWaalsContact C-N 3.25Å; M303-V305 HydrophobicContact CB-CG2 4.02Å; M303-V305 PolarHBondContact O-N 3.19Å |
| 304 | G | 78.2 | Confident | 78 | Confident | 54 Ų | 54 | 59.4 Ų | 59.4 | 56% | 0.557 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 13.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | L300 N301 A302 | L300-G304 PolarHBondContact O-N 2.71Å; N301-G304 PolarHBondContact O-N 3.4Å; A302-G304 VanDerWaalsContact C-N 3.35Å |
| 305 | V | 79.6 | Confident | 77.8 | Confident | 101 Ų | 101 | 63.7 Ų | 63.7 | 61% | 0.612 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -80.6 | -28.6 | -176 | -179.1 | 0 | 0 | 0 | 0 | 112.1 | L300 M303 | L300-V305 PolarHBondContact O-N 3.37Å; M303-V305 VanDerWaalsContact C-N 3.25Å; M303-V305 HydrophobicContact CB-CG2 4.02Å; M303-V305 PolarHBondContact O-N 3.19Å |
| 306 | I | 69.6 | Low | 77.6 | Confident | 75 Ų | 75 | 66.3 Ų | 66.3 | 39% | 0.385 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -119.4 | -13.6 | -173.1 | -71.2 | -171.4 | 0 | 0 | 0 | 113.1 | Y297 L300 | Y297-I306 HydrophobicContact CD2-CD1 4.43Å; Y297-I306 HydrophobicContact CD2-CG2 4.28Å; Y297-I306 HydrophobicContact CE2-CG2 3.65Å; L300-I306 HydrophobicContact CB-CB 4.48Å; L300-I306 HydrophobicContact CB-CD1 3.72Å; L300-I306 HydrophobicContact CB-CG1 4.04Å; L300-I306 HydrophobicContact CD1-CD1 3.53Å; L300-I306 HydrophobicContact CG-CD1 4.26Å |
| 307 | G | 57.5 | Low | 77.4 | Confident | 30 Ų | 30 | 61.3 Ų | 61.3 | 31% | 0.309 | 34% | 0.338 | S | S | . | . | trans | -96.8 | 107.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 308 | G | 57.3 | Low | 77.4 | Confident | 50 Ų | 50 | 59.9 Ų | 59.9 | 52% | 0.515 | 33% | 0.332 | S | S | . | . | trans | -69.8 | 168.5 | 150.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | E310 | G308-E310 PolarHBondContact O-N 3.25Š| ||
| 309 | E | 56.9 | Low | 77.5 | Confident | 177 Ų | 177 | 61.9 Ų | 61.9 | 83% | 0.827 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -12.8 | -165.4 | -68.1 | -172 | 131.9 | 0 | 0 | 116.3 | ||
| 310 | E | 61.9 | Low | 77.6 | Confident | 130 Ų | 130 | 61.7 Ų | 61.7 | 61% | 0.607 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.1 | 32.8 | -174.1 | -56.8 | -170 | 166.2 | 0 | 0 | 115.9 | G308 F312 Y313 | G308-E310 PolarHBondContact O-N 3.25Å; E310-F312 PolarHBondContact O-N 3.45Å; E310-Y313 HydrophobicContact CB-CE2 3.85Å; E310-Y313 WeakPolarHBondContact O-CD2 3.24Å; E310-Y313 WeakPolarHBondContact O-CE2 3.4Å; E310-Y313 PolarHBondContact OE2-OH 2.93Å |
| 311 | V | 63.3 | Low | 77.8 | Confident | 57 Ų | 57 | 60.5 Ų | 60.5 | 35% | 0.345 | 34% | 0.341 | S | S | . | . | trans | -70.6 | -29.8 | -175.7 | 178.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 312 | F | 68.6 | Low | 78.3 | Confident | 6 Ų | 6 | 63.6 Ų | 63.6 | 3% | 0.026 | 35% | 0.354 | C | S | . | . | trans | -109 | 68.4 | -173.5 | -69 | -81.8 | 0 | 0 | 0 | 113.9 | V56 Y59 Y297 N301 E310 P316 W317 F320 | V56-F312 HydrophobicContact CG1-CD1 3.71Å; V56-F312 HydrophobicContact CG1-CD2 3.83Å; V56-F312 HydrophobicContact CG1-CE1 3.75Å; V56-F312 HydrophobicContact CG1-CE2 3.88Å; V56-F312 HydrophobicContact CG1-CG 3.73Å; V56-F312 HydrophobicContact CG1-CZ 3.83Å; Y59-F312 HydrophobicContact CD2-CB 3.94Å; Y59-F312 HydrophobicContact CE2-CB 4.24Å; Y59-F312 HydrophobicContact CE2-CD2 4.5Å; Y297-F312 HydrophobicContact CE1-CE1 4.38Å; Y297-F312 AromaticContact CE1-CZ 3.71Å; Y297-F312 HydrophobicContact CE1-CZ 3.71Å; Y297-F312 AromaticContact CZ-CZ 3.99Å; Y297-F312 WeakPolarHBondContact OH-CZ 3.42Å; N301-F312 WeakPolarHBondContact OD1-CE2 3.35Å; E310-F312 PolarHBondContact O-N 3.45Å; F312-P316 HydrophobicContact CD1-CB 4.38Å; F312-W317 HydrophobicContact CB-CB 4.43Å; F312-W317 HydrophobicContact CD1-CB 4.35Å; F312-F320 HydrophobicContact CE1-CB 4.37Å | ||
| 313 | Y | 78.9 | Confident | 78.9 | Confident | 120 Ų | 120 | 64 Ų | 64 | 47% | 0.471 | 35% | 0.354 | S | S | . | . | trans | -58 | 165.5 | 156.8 | -76.3 | -82.6 | 0 | 0 | 0 | 111.7 | E310 W315 P316 W317 | E310-Y313 HydrophobicContact CB-CE2 3.85Å; E310-Y313 WeakPolarHBondContact O-CD2 3.24Å; E310-Y313 WeakPolarHBondContact O-CE2 3.4Å; E310-Y313 PolarHBondContact OE2-OH 2.93Å; Y313-W315 PolarHBondContact O-N 2.89Å; Y313-P316 VanDerWaalsContact O-CD 3.27Å; Y313-P316 WeakPolarHBondContact O-CD 3.19Å; Y313-W317 PolarHBondContact O-N 2.85Å; Y313-W317 VanDerWaalsContact O-N 3.11Å | ||
| 314 | P | 83.4 | Confident | 79.4 | Confident | 18 Ų | 18 | 59.5 Ų | 59.5 | 12% | 0.117 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -54.1 | -46 | -172.7 | -28.4 | 34.4 | 0 | 0 | 0 | 114 | T60 A65 A68 W69 W317 W318 | T60-P314 HydrophobicContact CG2-CG 4.02Å; A65-P314 HydrophobicContact CB-CB 4.18Å; A65-P314 HydrophobicContact CB-CG 4.31Å; A68-P314 HydrophobicContact CB-CB 4.19Å; A68-P314 HydrophobicContact CB-CG 4.44Å; W69-P314 HydrophobicContact CZ2-CB 4.1Å; W69-P314 WeakPolarHBondContact CZ2-O 3.39Å; W69-P314 PolarHBondContact NE1-O 3.27Å; P314-W317 PolarHBondContact O-N 3.43Å; P314-W318 WeakPolarHBondContact O-CB 3.33Å; P314-W318 PolarHBondContact O-N 3.03Å |
| 315 | W | 89.1 | Confident | 80.2 | Confident | 130 Ų | 130 | 57.2 Ų | 57.2 | 49% | 0.492 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.7 | -49.6 | -178 | -74.9 | 107.3 | 0 | 0 | 0 | 113.7 | A68 A72 Y313 W317 W318 A319 | A68-W315 WeakPolarHBondContact O-CZ2 3.32Å; A72-W315 HydrophobicContact CB-CH2 4.03Å; A72-W315 HydrophobicContact CB-CZ3 4.19Å; Y313-W315 PolarHBondContact O-N 2.89Å; W315-W317 VanDerWaalsContact C-N 3.31Å; W315-W317 PolarHBondContact O-N 3.2Å; W315-W318 HydrophobicContact CE3-CE3 4.45Å; W315-W318 HydrophobicContact CZ3-CE3 4.47Å; W315-W318 PolarHBondContact O-N 3Å; W315-A319 WeakPolarHBondContact O-CB 3.4Å; W315-A319 PolarHBondContact O-N 2.63Å |
| 316 | P | 89.2 | Confident | 81 | Confident | 61 Ų | 61 | 56.7 Ų | 56.7 | 40% | 0.396 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -53.1 | -43 | 170.6 | -30.3 | 34.6 | 0 | 0 | 0 | 114.3 | F312 Y313 A319 F320 | F312-P316 HydrophobicContact CD1-CB 4.38Å; Y313-P316 VanDerWaalsContact O-CD 3.27Å; Y313-P316 WeakPolarHBondContact O-CD 3.19Å; P316-A319 PolarHBondContact O-N 3.02Å; P316-F320 WeakPolarHBondContact O-CB 3.47Å; P316-F320 PolarHBondContact O-N 3.46Å |
| 317 | W | 88.5 | Confident | 82.2 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.008 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.2 | -47.3 | 177.9 | -176.5 | 100.3 | 0 | 0 | 0 | 111.6 | M54 V56 L58 W62 W69 W73 Y132 F312 Y313 P314 W315 A319 F320 Q321 | M54-W317 HydrophobicContact CE-CH2 4.2Å; M54-W317 HydrophobicContact CE-CZ2 3.37Å; M54-W317 HydrophobicContact SD-CZ2 4.03Å; V56-W317 PolarHBondContact O-NE1 3.49Å; L58-W317 HydrophobicContact CD1-CB 3.89Å; L58-W317 HydrophobicContact CD1-CD2 3.87Å; L58-W317 HydrophobicContact CD1-CE3 4.29Å; L58-W317 HydrophobicContact CD1-CG 3.68Å; W62-W317 AromaticContact CH2-CH2 3.76Å; W62-W317 HydrophobicContact CH2-CH2 3.76Å; W62-W317 HydrophobicContact CH2-CZ2 4.12Å; W62-W317 HydrophobicContact CZ3-CH2 4.08Å; W69-W317 AromaticContact CH2-CE3 3.51Å; W69-W317 HydrophobicContact CH2-CE3 3.51Å; W69-W317 HydrophobicContact CH2-CH2 4.34Å; W69-W317 AromaticContact CH2-CZ3 3.41Å; W69-W317 HydrophobicContact CH2-CZ3 3.41Å; W69-W317 VanDerWaalsContact CH2-CZ3 3.41Å; W69-W317 AromaticContact CZ2-CE3 3.53Å; W69-W317 HydrophobicContact CZ2-CE3 3.53Å; W69-W317 AromaticContact CZ2-CZ3 3.89Å; W69-W317 HydrophobicContact CZ2-CZ3 3.89Å; W69-W317 HydrophobicContact CZ3-CZ3 4.19Å; W73-W317 HydrophobicContact CZ3-CH2 4.22Å; W73-W317 AromaticContact CZ3-CZ3 3.97Å; W73-W317 HydrophobicContact CZ3-CZ3 3.97Å; Y132-W317 HydrophobicContact CD1-CH2 4.43Å; Y132-W317 HydrophobicContact CD2-CH2 4.46Å; Y132-W317 HydrophobicContact CG-CH2 4.19Å; F312-W317 HydrophobicContact CB-CB 4.43Å; F312-W317 HydrophobicContact CD1-CB 4.35Å; Y313-W317 PolarHBondContact O-N 2.85Å; Y313-W317 VanDerWaalsContact O-N 3.11Å; P314-W317 PolarHBondContact O-N 3.43Å; W315-W317 VanDerWaalsContact C-N 3.31Å; W315-W317 PolarHBondContact O-N 3.2Å; W317-A319 PolarHBondContact O-N 2.9Å; W317-F320 PolarHBondContact O-N 3.06Å; W317-Q321 HydrophobicContact CD2-CG 3.97Å; W317-Q321 HydrophobicContact CE3-CG 4.06Å; W317-Q321 HydrophobicContact CH2-CG 4.03Å; W317-Q321 HydrophobicContact CZ2-CG 3.96Å; W317-Q321 HydrophobicContact CZ3-CG 4.07Å; W317-Q321 WeakPolarHBondContact O-CG 3.27Å; W317-Q321 PolarHBondContact O-N 3.41Å |
| 318 | W | 90.6 | Very high | 84.1 | Confident | 44 Ų | 44 | 52.8 Ų | 52.8 | 17% | 0.167 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.7 | -46.1 | 177.4 | 178.5 | 100.2 | 0 | 0 | 0 | 111.3 | W69 A72 H76 P314 W315 F320 Q321 F322 | W69-W318 HydrophobicContact CD2-CB 4.47Å; W69-W318 HydrophobicContact CZ2-CB 4.07Å; A72-W318 HydrophobicContact CB-CZ2 4.22Å; A72-W318 PolarHBondContact O-NE1 3.5Å; H76-W318 HydrophobicContact CB-CZ2 4.06Å; P314-W318 WeakPolarHBondContact O-CB 3.33Å; P314-W318 PolarHBondContact O-N 3.03Å; W315-W318 HydrophobicContact CE3-CE3 4.45Å; W315-W318 HydrophobicContact CZ3-CE3 4.47Å; W315-W318 PolarHBondContact O-N 3Å; W318-F320 VanDerWaalsContact C-N 3.33Å; W318-F320 PolarHBondContact O-N 2.79Å; W318-Q321 PolarHBondContact O-N 3.41Å; W318-F322 HydrophobicContact CE3-CB 4.38Å; W318-F322 HydrophobicContact CH2-CB 4.3Å; W318-F322 HydrophobicContact CH2-CD1 4.47Å; W318-F322 HydrophobicContact CH2-CD2 4.1Å; W318-F322 HydrophobicContact CH2-CG 4.03Å; W318-F322 HydrophobicContact CZ2-CB 4.49Å; W318-F322 HydrophobicContact CZ2-CD2 4.18Å; W318-F322 HydrophobicContact CZ2-CG 4.41Å; W318-F322 HydrophobicContact CZ3-CB 4.25Å; W318-F322 HydrophobicContact CZ3-CG 4.31Å; W318-F322 VanDerWaalsContact O-CB 3.28Å; W318-F322 WeakPolarHBondContact O-CB 3.22Å; W318-F322 PolarHBondContact O-N 2.72Å |
| 319 | A | 91.6 | Very high | 85.9 | Confident | 42 Ų | 42 | 51.5 Ų | 51.5 | 35% | 0.347 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | W315 P316 W317 S323 | W315-A319 WeakPolarHBondContact O-CB 3.4Å; W315-A319 PolarHBondContact O-N 2.63Å; P316-A319 PolarHBondContact O-N 3.02Å; W317-A319 PolarHBondContact O-N 2.9Å; A319-S323 VanDerWaalsContact O-CB 3.26Å; A319-S323 WeakPolarHBondContact O-CB 3.25Å; A319-S323 PolarHBondContact O-N 3.48Å; A319-S323 PolarHBondContact O-OG 2.9Å |
| 320 | F | 91.4 | Very high | 87.8 | Confident | 18 Ų | 18 | 43.5 Ų | 43.5 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.1 | -46.8 | 174.7 | 178 | -101.5 | 0 | 0 | 0 | 112.2 | V56 L294 Y297 A298 F312 P316 W317 W318 S323 C324 | V56-F320 HydrophobicContact CB-CE1 4.44Å; V56-F320 HydrophobicContact CG2-CD1 4.27Å; V56-F320 HydrophobicContact CG2-CE1 3.81Å; V56-F320 HydrophobicContact CG2-CZ 4.4Å; L294-F320 HydrophobicContact CB-CE2 4.09Å; L294-F320 HydrophobicContact CD2-CD2 4.11Å; L294-F320 HydrophobicContact CD2-CE2 3.86Å; L294-F320 WeakPolarHBondContact O-CZ 3.37Å; Y297-F320 HydrophobicContact CD1-CD2 4.05Å; Y297-F320 AromaticContact CD1-CE2 3.65Å; Y297-F320 HydrophobicContact CD1-CE2 3.65Å; Y297-F320 HydrophobicContact CD1-CZ 4.41Å; Y297-F320 HydrophobicContact CE1-CD2 4.12Å; Y297-F320 HydrophobicContact CE1-CE2 4.18Å; A298-F320 HydrophobicContact CB-CE1 4.34Å; A298-F320 HydrophobicContact CB-CZ 3.9Å; F312-F320 HydrophobicContact CE1-CB 4.37Å; P316-F320 WeakPolarHBondContact O-CB 3.47Å; P316-F320 PolarHBondContact O-N 3.46Å; W317-F320 PolarHBondContact O-N 3.06Å; W318-F320 VanDerWaalsContact C-N 3.33Å; W318-F320 PolarHBondContact O-N 2.79Å; F320-S323 PolarHBondContact O-N 2.88Å; F320-C324 VanDerWaalsContact CZ-SG 3.59Å; F320-C324 PolarHBondContact O-N 3.38Å; F320-C324 PolarHBondContact O-SG 2.88Å |
| 321 | Q | 90.9 | Very high | 89.5 | Confident | 9 Ų | 9 | 37.5 Ų | 37.5 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.6 | -42.5 | 178.8 | -67.2 | -53.9 | -31.9 | 0 | 0 | 112.5 | M54 Y132 W317 W318 C324 R325 | M54-Q321 HydrophobicContact CE-CG 3.95Å; Y132-Q321 HydrophobicContact CE1-CB 4.18Å; Y132-Q321 HydrophobicContact CE1-CG 4.09Å; W317-Q321 HydrophobicContact CD2-CG 3.97Å; W317-Q321 HydrophobicContact CE3-CG 4.06Å; W317-Q321 HydrophobicContact CH2-CG 4.03Å; W317-Q321 HydrophobicContact CZ2-CG 3.96Å; W317-Q321 HydrophobicContact CZ3-CG 4.07Å; W317-Q321 WeakPolarHBondContact O-CG 3.27Å; W317-Q321 PolarHBondContact O-N 3.41Å; W318-Q321 PolarHBondContact O-N 3.41Å; Q321-C324 PolarHBondContact O-N 2.82Å; Q321-R325 WeakPolarHBondContact O-CG 3.09Å; Q321-R325 PolarHBondContact O-N 3.38Å; Q321-R325 VanDerWaalsContact O-N 3.13Å |
| 322 | F | 93.1 | Very high | 91.1 | Very high | 76 Ų | 76 | 34.9 Ų | 34.9 | 33% | 0.333 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.1 | -47.6 | 173.6 | 178.6 | -96 | 0 | 0 | 0 | 111 | H76 W318 C324 R325 L326 | H76-F322 AromaticContact ND1-CD2 3.49Å; H76-F322 WeakPolarHBondContact ND1-CD2 3.48Å; W318-F322 HydrophobicContact CE3-CB 4.38Å; W318-F322 HydrophobicContact CH2-CB 4.3Å; W318-F322 HydrophobicContact CH2-CD1 4.47Å; W318-F322 HydrophobicContact CH2-CD2 4.1Å; W318-F322 HydrophobicContact CH2-CG 4.03Å; W318-F322 HydrophobicContact CZ2-CB 4.49Å; W318-F322 HydrophobicContact CZ2-CD2 4.18Å; W318-F322 HydrophobicContact CZ2-CG 4.41Å; W318-F322 HydrophobicContact CZ3-CB 4.25Å; W318-F322 HydrophobicContact CZ3-CG 4.31Å; W318-F322 VanDerWaalsContact O-CB 3.28Å; W318-F322 WeakPolarHBondContact O-CB 3.22Å; W318-F322 PolarHBondContact O-N 2.72Å; F322-C324 VanDerWaalsContact C-N 3.33Å; F322-C324 PolarHBondContact O-N 2.94Å; F322-R325 PolarHBondContact O-N 3.03Å; F322-R325 VanDerWaalsContact O-N 3.12Å; F322-L326 HydrophobicContact CE1-CD2 4.06Å; F322-L326 WeakPolarHBondContact O-CB 3.26Å; F322-L326 PolarHBondContact O-N 3.05Å |
| 323 | S | 94.5 | Very high | 92.4 | Very high | 46 Ų | 46 | 39.2 Ų | 39.2 | 32% | 0.322 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.3 | -42.4 | 177.7 | -60.3 | 0 | 0 | 0 | 0 | 112.2 | A319 F320 R325 L326 C327 | A319-S323 VanDerWaalsContact O-CB 3.26Å; A319-S323 WeakPolarHBondContact O-CB 3.25Å; A319-S323 PolarHBondContact O-N 3.48Å; A319-S323 PolarHBondContact O-OG 2.9Å; F320-S323 PolarHBondContact O-N 2.88Å; S323-R325 PolarHBondContact O-N 3.08Å; S323-L326 PolarHBondContact O-N 3.24Å; S323-C327 PolarHBondContact O-N 2.87Å; S323-C327 PolarHBondContact O-SG 3.4Å; S323-C327 VanDerWaalsContact O-SG 3.35Å |
| 324 | C | 93.2 | Very high | 93.2 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.02 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.4 | -44.5 | 175 | -69.7 | 0 | 0 | 0 | 0 | 112 | F320 Q321 F322 E328 | F320-C324 VanDerWaalsContact CZ-SG 3.59Å; F320-C324 PolarHBondContact O-N 3.38Å; F320-C324 PolarHBondContact O-SG 2.88Å; Q321-C324 PolarHBondContact O-N 2.82Å; F322-C324 VanDerWaalsContact C-N 3.33Å; F322-C324 PolarHBondContact O-N 2.94Å; C324-E328 WeakPolarHBondContact O-CB 3.31Å; C324-E328 WeakPolarHBondContact O-CG 3.27Å; C324-E328 PolarHBondContact O-N 2.71Å |
| 325 | R | 94.8 | Very high | 93.8 | Very high | 6 Ų | 6 | 33.2 Ų | 33.2 | 2% | 0.023 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.2 | -37 | 177.9 | -61 | -62.4 | 161.3 | -115.7 | -5.8 | 112.2 | F84 R123 F148 Q321 F322 S323 E328 L329 | F84-R325 HydrophobicContact CE2-CB 4.45Å; R123-R325 VanDerWaalsContact CZ-NH1 3.26Å; R123-R325 VanDerWaalsContact NE-NH1 3.18Å; F148-R325 VanDerWaalsContact CE2-NH2 3.33Å; Q321-R325 WeakPolarHBondContact O-CG 3.09Å; Q321-R325 PolarHBondContact O-N 3.38Å; Q321-R325 VanDerWaalsContact O-N 3.13Å; F322-R325 PolarHBondContact O-N 3.03Å; F322-R325 VanDerWaalsContact O-N 3.12Å; S323-R325 PolarHBondContact O-N 3.08Å; R325-E328 IonicContact CZ-OE2 3.56Å; R325-E328 IonicContact NH1-OE1 3.77Å; R325-E328 PolarHBondContact NH1-OE1 2.94Å; R325-E328 IonicContact NH1-OE2 2.91Å; R325-E328 PolarHBondContact NH1-OE2 2.78Å; R325-E328 PolarHBondContact O-N 3.32Å; R325-L329 WeakPolarHBondContact O-CB 3.25Å; R325-L329 VanDerWaalsContact O-CG 3.29Å; R325-L329 WeakPolarHBondContact O-CG 3.11Å; R325-L329 PolarHBondContact O-N 2.69Å |
| 326 | L | 95.6 | Very high | 94.1 | Very high | 91 Ų | 91 | 27.3 Ų | 27.3 | 48% | 0.476 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -65.4 | -43.4 | 177.2 | -176.2 | 62.3 | 0 | 0 | 0 | 112.1 | F322 S323 L329 G330 | F322-L326 HydrophobicContact CE1-CD2 4.06Å; F322-L326 WeakPolarHBondContact O-CB 3.26Å; F322-L326 PolarHBondContact O-N 3.05Å; S323-L326 PolarHBondContact O-N 3.24Å; L326-L329 PolarHBondContact O-N 3.13Å; L326-G330 PolarHBondContact O-N 3.12Å |
| 327 | C | 96.1 | Very high | 94.3 | Very high | 18 Ų | 18 | 28.5 Ų | 28.5 | 12% | 0.122 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.5 | -41 | 175.5 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | A290 C291 S323 G330 V331 | A290-C327 HydrophobicContact CB-CB 4.44Å; C291-C327 HydrophobicContact CB-CB 4.46Å; C291-C327 WeakPolarHBondContact SG-CB 3.01Å; S323-C327 PolarHBondContact O-N 2.87Å; S323-C327 PolarHBondContact O-SG 3.4Å; S323-C327 VanDerWaalsContact O-SG 3.35Å; C327-G330 PolarHBondContact O-N 3.44Å; C327-V331 PolarHBondContact O-N 2.69Å |
| 328 | E | 96.1 | Very high | 94.5 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.019 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.4 | -48 | 173.7 | -77.4 | 175.4 | 178.4 | 0 | 0 | 111.4 | F84 R123 F152 L155 C291 C324 R325 G330 V331 C332 | F84-E328 HydrophobicContact CZ-CB 4.16Å; R123-E328 IonicContact CZ-OE1 3.55Å; R123-E328 IonicContact CZ-OE2 2.95Å; R123-E328 IonicContact NE-OE1 3.52Å; R123-E328 IonicContact NE-OE2 2.77Å; R123-E328 PolarHBondContact NE-OE2 3.39Å; R123-E328 IonicContact NH2-OE1 3.18Å; R123-E328 PolarHBondContact NH2-OE1 3.03Å; R123-E328 IonicContact NH2-OE2 3.3Å; F152-E328 WeakPolarHBondContact CE1-OE1 3.36Å; L155-E328 HydrophobicContact CD1-CB 4.43Å; L155-E328 HydrophobicContact CD1-CG 4.09Å; C291-E328 PolarHBondContact SG-N 2.99Å; C291-E328 VanDerWaalsContact SG-N 3.35Å; C324-E328 WeakPolarHBondContact O-CB 3.31Å; C324-E328 WeakPolarHBondContact O-CG 3.27Å; C324-E328 PolarHBondContact O-N 2.71Å; R325-E328 IonicContact CZ-OE2 3.56Å; R325-E328 IonicContact NH1-OE1 3.77Å; R325-E328 PolarHBondContact NH1-OE1 2.94Å; R325-E328 IonicContact NH1-OE2 2.91Å; R325-E328 PolarHBondContact NH1-OE2 2.78Å; R325-E328 PolarHBondContact O-N 3.32Å; E328-G330 VanDerWaalsContact C-N 3.29Å; E328-G330 PolarHBondContact O-N 3.27Å; E328-V331 PolarHBondContact O-N 3.13Å; E328-C332 VanDerWaalsContact O-CB 3.26Å; E328-C332 WeakPolarHBondContact O-CB 3.35Å; E328-C332 PolarHBondContact O-N 3.37Å |
| 329 | L | 96.6 | Very high | 94.5 | Very high | 23 Ų | 23 | 26.4 Ų | 26.4 | 12% | 0.12 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.4 | -42.4 | 173.1 | -79.8 | 172.3 | 0 | 0 | 0 | 111.8 | V83 F84 R325 L326 C332 L333 | V83-L329 HydrophobicContact CB-CD1 4.38Å; V83-L329 HydrophobicContact CB-CD2 4.3Å; V83-L329 HydrophobicContact CG1-CD1 4.19Å; V83-L329 HydrophobicContact CG1-CD2 3.75Å; F84-L329 HydrophobicContact CD1-CD2 3.54Å; F84-L329 HydrophobicContact CD1-CG 4.4Å; F84-L329 HydrophobicContact CD2-CD2 3.82Å; F84-L329 HydrophobicContact CD2-CG 4.18Å; F84-L329 HydrophobicContact CE1-CD2 3.52Å; F84-L329 HydrophobicContact CE1-CG 3.95Å; F84-L329 HydrophobicContact CE2-CD1 4.21Å; F84-L329 HydrophobicContact CE2-CD2 3.78Å; F84-L329 HydrophobicContact CE2-CG 3.69Å; F84-L329 HydrophobicContact CG-CD2 3.69Å; F84-L329 HydrophobicContact CZ-CD2 3.64Å; F84-L329 HydrophobicContact CZ-CG 3.57Å; R325-L329 WeakPolarHBondContact O-CB 3.25Å; R325-L329 VanDerWaalsContact O-CG 3.29Å; R325-L329 WeakPolarHBondContact O-CG 3.11Å; R325-L329 PolarHBondContact O-N 2.69Å; L326-L329 PolarHBondContact O-N 3.13Å; L329-C332 PolarHBondContact O-N 3.01Å; L329-L333 WeakPolarHBondContact O-CB 3.17Å; L329-L333 PolarHBondContact O-N 3.23Å |
| 330 | G | 96.4 | Very high | 94.4 | Very high | 10 Ų | 10 | 25.2 Ų | 25.2 | 10% | 0.103 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.7 | -48.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L326 C327 E328 T334 | L326-G330 PolarHBondContact O-N 3.12Å; C327-G330 PolarHBondContact O-N 3.44Å; E328-G330 VanDerWaalsContact C-N 3.29Å; E328-G330 PolarHBondContact O-N 3.27Å; G330-T334 WeakPolarHBondContact O-CB 3.36Å; G330-T334 WeakPolarHBondContact O-CG2 3.49Å; G330-T334 PolarHBondContact O-N 3.37Å; G330-T334 VanDerWaalsContact O-N 3.15Å; G330-T334 PolarHBondContact O-OG1 2.89Å |
| 331 | V | 97 | Very high | 94.1 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.024 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.2 | -48.3 | 173.9 | -180 | 0 | 0 | 0 | 0 | 110.7 | L155 F287 S288 C327 E328 T334 L335 | L155-V331 HydrophobicContact CD2-CB 4.44Å; L155-V331 HydrophobicContact CD2-CG1 4.09Å; F287-V331 HydrophobicContact CB-CG2 3.64Å; S288-V331 VanDerWaalsContact N-CG2 3.32Å; C327-V331 PolarHBondContact O-N 2.69Å; E328-V331 PolarHBondContact O-N 3.13Å; V331-T334 PolarHBondContact O-N 3.47Å; V331-T334 PolarHBondContact O-OG1 3.18Å; V331-T334 VanDerWaalsContact O-OG1 3.05Å; V331-L335 HydrophobicContact CG1-CD1 3.73Å; V331-L335 HydrophobicContact CG1-CG 4.36Å; V331-L335 WeakPolarHBondContact O-CB 3.33Å; V331-L335 VanDerWaalsContact O-CG 3.27Å; V331-L335 WeakPolarHBondContact O-CG 3.38Å; V331-L335 PolarHBondContact O-N 2.94Å |
| 332 | C | 96.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67 | -43.5 | -171.5 | -139 | 0 | 0 | 0 | 0 | 111.7 | L87 L155 E328 L329 A336 | L87-C332 HydrophobicContact CD2-CB 3.36Å; L87-C332 WeakPolarHBondContact CD2-SG 3.33Å; L155-C332 HydrophobicContact CD2-CB 4.09Å; E328-C332 VanDerWaalsContact O-CB 3.26Å; E328-C332 WeakPolarHBondContact O-CB 3.35Å; E328-C332 PolarHBondContact O-N 3.37Å; L329-C332 PolarHBondContact O-N 3.01Å; C332-A336 WeakPolarHBondContact O-CB 3.39Å; C332-A336 PolarHBondContact O-N 2.94Å |
| 333 | L | 96.6 | Very high | 92.6 | Very high | 97 Ų | 97 | 24.1 Ų | 24.1 | 51% | 0.508 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -65.5 | -47.5 | 175.8 | 178.1 | 63.4 | 0 | 0 | 0 | 112.3 | L87 L329 L335 A336 L337 | L87-L333 HydrophobicContact CD1-CD1 4.49Å; L329-L333 WeakPolarHBondContact O-CB 3.17Å; L329-L333 PolarHBondContact O-N 3.23Å; L333-L335 PolarHBondContact O-N 2.99Å; L333-A336 PolarHBondContact O-N 3.39Å; L333-L337 HydrophobicContact CG-CD1 4.39Å; L333-L337 WeakPolarHBondContact O-CG 3.39Å; L333-L337 PolarHBondContact O-N 2.93Å |
| 334 | T | 96.2 | Very high | 91.7 | Very high | 13 Ų | 13 | 27.5 Ų | 27.5 | 8% | 0.08 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.1 | -38.9 | -178.5 | 47.8 | 0 | 0 | 0 | 0 | 112.2 | L283 S284 F287 G330 V331 L337 V338 | L283-T334 HydrophobicContact CB-CG2 4.11Å; S284-T334 WeakPolarHBondContact CA-OG1 3.44Å; S284-T334 WeakPolarHBondContact CB-OG1 3.36Å; F287-T334 HydrophobicContact CD2-CG2 4.44Å; F287-T334 HydrophobicContact CE2-CG2 4.42Å; G330-T334 WeakPolarHBondContact O-CB 3.36Å; G330-T334 WeakPolarHBondContact O-CG2 3.49Å; G330-T334 PolarHBondContact O-N 3.37Å; G330-T334 VanDerWaalsContact O-N 3.15Å; G330-T334 PolarHBondContact O-OG1 2.89Å; V331-T334 PolarHBondContact O-N 3.47Å; V331-T334 PolarHBondContact O-OG1 3.18Å; V331-T334 VanDerWaalsContact O-OG1 3.05Å; T334-L337 PolarHBondContact O-N 3.32Å; T334-V338 WeakPolarHBondContact O-CG2 3.5Å; T334-V338 PolarHBondContact O-N 2.92Å |
| 335 | L | 95.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.1 | -39.5 | 173.2 | -65.7 | 175.7 | 0 | 0 | 0 | 112.2 | L116 A158 F159 V162 V331 L333 L337 V338 V339 | L116-L335 HydrophobicContact CD1-CB 3.97Å; L116-L335 HydrophobicContact CD2-CB 4.04Å; L116-L335 HydrophobicContact CD2-CD1 4.21Å; A158-L335 HydrophobicContact CB-CD1 4.03Å; F159-L335 HydrophobicContact CB-CD1 4.09Å; F159-L335 HydrophobicContact CD2-CD2 4.26Å; V162-L335 HydrophobicContact CB-CD2 3.99Å; V162-L335 HydrophobicContact CG1-CD2 4.07Å; V162-L335 HydrophobicContact CG2-CD2 3.99Å; V331-L335 HydrophobicContact CG1-CD1 3.73Å; V331-L335 HydrophobicContact CG1-CG 4.36Å; V331-L335 WeakPolarHBondContact O-CB 3.33Å; V331-L335 VanDerWaalsContact O-CG 3.27Å; V331-L335 WeakPolarHBondContact O-CG 3.38Å; V331-L335 PolarHBondContact O-N 2.94Å; L333-L335 PolarHBondContact O-N 2.99Å; L335-L337 VanDerWaalsContact C-N 3.3Å; L335-L337 PolarHBondContact O-N 3.05Å; L335-V338 PolarHBondContact O-N 3.31Å; L335-V339 PolarHBondContact O-N 2.93Å |
| 336 | A | 95.4 | Very high | 88.8 | Confident | 6 Ų | 6 | 32.5 Ų | 32.5 | 5% | 0.05 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.7 | -37.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L87 N94 L116 C332 L333 V339 A340 | L87-A336 HydrophobicContact CD1-CB 3.66Å; N94-A336 PolarHBondContact ND2-O 3.44Å; L116-A336 HydrophobicContact CD1-CB 4.18Å; C332-A336 WeakPolarHBondContact O-CB 3.39Å; C332-A336 PolarHBondContact O-N 2.94Å; L333-A336 PolarHBondContact O-N 3.39Å; A336-V339 PolarHBondContact O-N 3.35Å; A336-A340 VanDerWaalsContact O-CB 3.31Å; A336-A340 WeakPolarHBondContact O-CB 3.39Å; A336-A340 PolarHBondContact O-N 3.45Å |
| 337 | L | 93.4 | Very high | 86.7 | Confident | 86 Ų | 86 | 35 Ų | 35 | 45% | 0.45 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.9 | -36.6 | 174.2 | -70.8 | 171.9 | 0 | 0 | 0 | 112.7 | L333 T334 L335 A340 Q341 | L333-L337 HydrophobicContact CG-CD1 4.39Å; L333-L337 WeakPolarHBondContact O-CG 3.39Å; L333-L337 PolarHBondContact O-N 2.93Å; T334-L337 PolarHBondContact O-N 3.32Å; L335-L337 VanDerWaalsContact C-N 3.3Å; L335-L337 PolarHBondContact O-N 3.05Å; L337-A340 PolarHBondContact O-N 3.22Å; L337-Q341 WeakPolarHBondContact O-CG 3.28Å; L337-Q341 PolarHBondContact O-N 2.93Å; L337-Q341 VanDerWaalsContact O-N 3.11Å |
| 338 | V | 92.4 | Very high | 84.6 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.3 | -38.4 | 175.8 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | V162 F268 A277 T280 V281 T334 L335 P342 | V162-V338 HydrophobicContact CG1-CB 4.48Å; V162-V338 HydrophobicContact CG1-CG1 3.79Å; F268-V338 HydrophobicContact CZ-CG1 3.85Å; A277-V338 HydrophobicContact CB-CG1 4.42Å; T280-V338 VanDerWaalsContact OG1-CG2 3.23Å; T280-V338 WeakPolarHBondContact OG1-CG2 3.36Å; V281-V338 HydrophobicContact CG2-CG1 4.34Å; V281-V338 HydrophobicContact CG2-CG2 3.69Å; T334-V338 WeakPolarHBondContact O-CG2 3.5Å; T334-V338 PolarHBondContact O-N 2.92Å; L335-V338 PolarHBondContact O-N 3.31Å; V338-P342 WeakPolarHBondContact O-CD 3.28Å |
| 339 | V | 90.7 | Very high | 82.2 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -73.4 | -33.8 | 175.1 | -177.5 | 0 | 0 | 0 | 0 | 111.9 | N94 F109 V112 L335 A336 Q341 P342 | N94-V339 HydrophobicContact CB-CG1 4.35Å; F109-V339 HydrophobicContact CB-CG1 4.24Å; F109-V339 HydrophobicContact CD1-CB 4.43Å; F109-V339 HydrophobicContact CD1-CG1 4.07Å; F109-V339 HydrophobicContact CD1-CG2 4.26Å; V112-V339 HydrophobicContact CB-CG2 4.01Å; V112-V339 HydrophobicContact CG1-CG2 3.48Å; V112-V339 VanDerWaalsContact CG1-CG2 3.48Å; L335-V339 PolarHBondContact O-N 2.93Å; A336-V339 PolarHBondContact O-N 3.35Å; V339-Q341 PolarHBondContact O-N 3.44Å; V339-P342 VanDerWaalsContact O-CD 3.31Å; V339-P342 WeakPolarHBondContact O-CD 3.39Å; V339-P342 WeakPolarHBondContact O-CG 3.46Å |
| 340 | A | 89.3 | Confident | 79.8 | Confident | 18 Ų | 18 | 51 Ų | 51 | 15% | 0.149 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.8 | -32.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | A336 L337 V343 F344 | A336-A340 VanDerWaalsContact O-CB 3.31Å; A336-A340 WeakPolarHBondContact O-CB 3.39Å; A336-A340 PolarHBondContact O-N 3.45Å; L337-A340 PolarHBondContact O-N 3.22Å; A340-V343 PolarHBondContact O-N 3.4Å; A340-V343 VanDerWaalsContact O-N 3.11Å; A340-F344 HydrophobicContact CB-CD2 3.88Å; A340-F344 HydrophobicContact CB-CE2 4.14Å; A340-F344 WeakPolarHBondContact O-CD2 3.26Å; A340-F344 PolarHBondContact O-N 3.1Å |
| 341 | Q | 84.8 | Confident | 77.4 | Confident | 40 Ų | 40 | 54.4 Ų | 54.4 | 19% | 0.187 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -50.4 | -57.9 | -179 | -81.2 | 169.6 | 6.5 | 0 | 0 | 114.4 | L337 V339 V343 C345 | L337-Q341 WeakPolarHBondContact O-CG 3.28Å; L337-Q341 PolarHBondContact O-N 2.93Å; L337-Q341 VanDerWaalsContact O-N 3.11Å; V339-Q341 PolarHBondContact O-N 3.44Å; Q341-V343 VanDerWaalsContact C-N 3.26Å; Q341-V343 PolarHBondContact O-N 2.87Å; Q341-C345 WeakPolarHBondContact O-CA 3.31Å; Q341-C345 VanDerWaalsContact O-CB 3.3Å; Q341-C345 WeakPolarHBondContact O-CB 3.26Å; Q341-C345 PolarHBondContact O-N 3.37Å |
| 342 | P | 76.3 | Confident | 74.6 | Confident | 31 Ų | 31 | 59.6 Ų | 59.6 | 20% | 0.201 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.3 | -23.7 | 178.4 | 26.6 | -36.2 | 0 | 0 | 0 | 113.9 | F109 V338 V339 | F109-P342 HydrophobicContact CD1-CG 4.48Å; F109-P342 HydrophobicContact CE1-CG 3.96Å; F109-P342 HydrophobicContact CE2-CG 4.49Å; F109-P342 HydrophobicContact CZ-CG 3.97Å; V338-P342 WeakPolarHBondContact O-CD 3.28Å; V339-P342 VanDerWaalsContact O-CD 3.31Å; V339-P342 WeakPolarHBondContact O-CD 3.39Å; V339-P342 WeakPolarHBondContact O-CG 3.46Å |
| 343 | V | 76.1 | Confident | 72.4 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 5% | 0.048 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -77.6 | -46.8 | -178.3 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | C97 L98 R101 A340 Q341 | C97-V343 HydrophobicContact CB-CG1 3.44Å; C97-V343 VanDerWaalsContact CB-CG1 3.44Å; L98-V343 HydrophobicContact CD2-CG2 3.94Å; L98-V343 HydrophobicContact CG-CG2 4.19Å; R101-V343 VanDerWaalsContact CD-O 3.3Å; R101-V343 WeakPolarHBondContact CD-O 3.13Å; R101-V343 PolarHBondContact NH1-O 3.16Å; A340-V343 PolarHBondContact O-N 3.4Å; A340-V343 VanDerWaalsContact O-N 3.11Å; Q341-V343 VanDerWaalsContact C-N 3.26Å; Q341-V343 PolarHBondContact O-N 2.87Å |
| 344 | F | 75.5 | Confident | 70.3 | Confident | 117 Ų | 117 | 58.2 Ų | 58.2 | 51% | 0.513 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -103.8 | -34.9 | -173.5 | -59.7 | -72.6 | 0 | 0 | 0 | 114.1 | N94 A340 | N94-F344 WeakPolarHBondContact OD1-CE2 3.48Å; A340-F344 HydrophobicContact CB-CD2 3.88Å; A340-F344 HydrophobicContact CB-CE2 4.14Å; A340-F344 WeakPolarHBondContact O-CD2 3.26Å; A340-F344 PolarHBondContact O-N 3.1Å |
| 345 | C | 65.6 | Low | 68 | Low | 87 Ų | 87 | 61.4 Ų | 61.4 | 59% | 0.588 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -100.8 | 6.2 | -169.4 | -55.6 | 0 | 0 | 0 | 0 | 114.7 | Q341 D347 | Q341-C345 WeakPolarHBondContact O-CA 3.31Å; Q341-C345 VanDerWaalsContact O-CB 3.3Å; Q341-C345 WeakPolarHBondContact O-CB 3.26Å; Q341-C345 PolarHBondContact O-N 3.37Å; C345-D347 PolarHBondContact O-N 3.44Å |
| 346 | S | 62.8 | Low | 65.9 | Low | 27 Ų | 27 | 66.7 Ų | 66.7 | 19% | 0.189 | 40% | 0.4 | C | S | . | . | trans | -73.7 | 125.7 | 172.2 | -177.2 | 0 | 0 | 0 | 0 | 110.2 | R101 Q348 | R101-S346 PolarHBondContact NH2-O 3.48Å; S346-Q348 PolarHBondContact O-N 3.46Å; S346-Q348 WeakPolarHBondContact OG-CB 3.29Å; S346-Q348 PolarHBondContact OG-N 2.99Å; S346-Q348 PolarHBondContact OG-OE1 3.31Å | ||
| 347 | D | 50.3 | Low | 63.8 | Low | 145 Ų | 145 | 69.9 Ų | 69.9 | 78% | 0.775 | 42% | 0.418 | S | S | * | . | trans | -74.9 | -2.5 | 172 | -69.3 | -39.3 | 0 | 0 | 0 | 112.5 | C345 L349 | C345-D347 PolarHBondContact O-N 3.44Å; D347-L349 PolarHBondContact O-N 2.88Å; D347-L349 VanDerWaalsContact O-N 3.13Å | ||
| 348 | Q | 51.7 | Low | 61.9 | Low | 135 Ų | 135 | 72.3 Ų | 72.3 | 63% | 0.631 | 43% | 0.427 | S | S | * | . | trans | -73.4 | 106.8 | 176 | -63.8 | 166.3 | -24.9 | 0 | 0 | 109.5 | R101 S346 | R101-Q348 PolarHBondContact NH2-O 3.06Å; S346-Q348 PolarHBondContact O-N 3.46Å; S346-Q348 WeakPolarHBondContact OG-CB 3.29Å; S346-Q348 PolarHBondContact OG-N 2.99Å; S346-Q348 PolarHBondContact OG-OE1 3.31Å | ||
| 349 | L | 46.5 | Very low | 59.8 | Low | 155 Ų | 155 | 76.7 Ų | 76.7 | 81% | 0.812 | 45% | 0.45 | S | S | * | . | trans | -47.9 | 140.6 | 160.2 | -113.4 | 72 | 0 | 0 | 0 | 108.8 | D347 A351 | D347-L349 PolarHBondContact O-N 2.88Å; D347-L349 VanDerWaalsContact O-N 3.13Å; L349-A351 PolarHBondContact O-N 3.38Å | ||
| 350 | P | 45.8 | Very low | 57.8 | Low | 91 Ų | 91 | 82.8 Ų | 82.8 | 59% | 0.591 | 48% | 0.482 | S | S | * | . | trans | -59 | 115.7 | 173.2 | 25.3 | -32.7 | 0 | 0 | 0 | 108.7 | A352 | P350-A352 PolarHBondContact O-N 3.2Š| ||
| 351 | A | 45.8 | Very low | 55.9 | Low | 81 Ų | 81 | 84.8 Ų | 84.8 | 67% | 0.669 | 50% | 0.499 | S | S | * | . | trans | -58 | 133.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | L349 G353 S354 | L349-A351 PolarHBondContact O-N 3.38Å; A351-G353 PolarHBondContact O-N 2.77Å; A351-G353 VanDerWaalsContact O-N 3.13Å; A351-S354 PolarHBondContact O-N 2.89Å | ||
| 352 | A | 39.7 | Very low | 54 | Low | 112 Ų | 112 | 86.9 Ų | 86.9 | 93% | 0.926 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -57.1 | 120.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | P350 | P350-A352 PolarHBondContact O-N 3.2Š|
| 353 | G | 49.6 | Very low | 52.5 | Low | 48 Ų | 48 | 94.3 Ų | 94.3 | 50% | 0.495 | 55% | 0.547 | S | S | . | . | trans | 114.4 | 20.8 | -167 | 0 | 0 | 0 | 0 | 0 | 115.4 | A351 | A351-G353 PolarHBondContact O-N 2.77Å; A351-G353 VanDerWaalsContact O-N 3.13Å | ||
| 354 | S | 51.9 | Low | 50.5 | Low | 22 Ų | 22 | 98 Ų | 98 | 15% | 0.154 | 57% | 0.573 | C | S | . | * | trans | -65 | 142.1 | 162.8 | 69.6 | 0 | 0 | 0 | 0 | 109.5 | A351 W356 T357 | A351-S354 PolarHBondContact O-N 2.89Å; S354-W356 PolarHBondContact O-N 3.06Å; S354-T357 PolarHBondContact N-OG1 3.17Å; S354-T357 PolarHBondContact O-N 2.65Å; S354-T357 PolarHBondContact O-OG1 3.32Å; S354-T357 WeakPolarHBondContact OG-CG2 3.48Å | ||
| 355 | C | 49.3 | Very low | 48.8 | Very low | 79 Ų | 79 | 97.1 Ų | 97.1 | 53% | 0.534 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -49.3 | -33.8 | -168 | -175.8 | 0 | 0 | 0 | 0 | 114.6 | L359 | C355-L359 PolarHBondContact O-N 3Å; C355-L359 VanDerWaalsContact O-N 3.12Å |
| 356 | W | 50.4 | Low | 47.5 | Very low | 112 Ų | 112 | 100.2 Ų | 100.2 | 42% | 0.424 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -81.3 | -22.6 | 177.2 | -72.9 | 88.3 | 0 | 0 | 0 | 114.9 | P99 S354 L359 L360 | P99-W356 VanDerWaalsContact O-CD1 3.23Å; S354-W356 PolarHBondContact O-N 3.06Å; W356-L359 HydrophobicContact CD2-CD2 4.46Å; W356-L359 HydrophobicContact CE3-CB 4.43Å; W356-L359 HydrophobicContact CE3-CD2 3.72Å; W356-L359 HydrophobicContact CH2-CD2 4.01Å; W356-L359 HydrophobicContact CZ3-CD2 3.47Å; W356-L359 VanDerWaalsContact CZ3-CD2 3.47Å; W356-L359 PolarHBondContact O-N 3.33Å; W356-L360 VanDerWaalsContact O-CB 3.24Å; W356-L360 WeakPolarHBondContact O-CB 3.3Å; W356-L360 VanDerWaalsContact O-CG 3.23Å; W356-L360 WeakPolarHBondContact O-CG 3.4Å; W356-L360 PolarHBondContact O-N 3.48Å |
| 357 | T | 51.6 | Low | 46.1 | Very low | 72 Ų | 72 | 106.5 Ų | 106.5 | 44% | 0.442 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.8 | -40.9 | 171.2 | 57 | 0 | 0 | 0 | 0 | 111.1 | S354 A361 | S354-T357 PolarHBondContact N-OG1 3.17Å; S354-T357 PolarHBondContact O-N 2.65Å; S354-T357 PolarHBondContact O-OG1 3.32Å; S354-T357 WeakPolarHBondContact OG-CG2 3.48Å; T357-A361 WeakPolarHBondContact O-CB 3.46Å; T357-A361 PolarHBondContact O-N 3.23Å |
| 358 | E | 54.6 | Low | 45.4 | Very low | 137 Ų | 137 | 105.5 Ų | 105.5 | 64% | 0.64 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67 | -44.2 | 170.2 | -74.4 | -173 | 134.5 | 0 | 0 | 112 | L360 A361 S362 | E358-L360 PolarHBondContact O-N 3.26Å; E358-A361 PolarHBondContact O-N 2.97Å; E358-S362 VanDerWaalsContact O-CB 3.25Å; E358-S362 WeakPolarHBondContact O-CB 3.37Å; E358-S362 PolarHBondContact O-N 3.46Å |
| 359 | L | 46.9 | Very low | 44.7 | Very low | 94 Ų | 94 | 102 Ų | 102 | 49% | 0.492 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -64.2 | -38.9 | -179.5 | -156.5 | 87.2 | 0 | 0 | 0 | 112.6 | C355 W356 S362 | C355-L359 PolarHBondContact O-N 3Å; C355-L359 VanDerWaalsContact O-N 3.12Å; W356-L359 HydrophobicContact CD2-CD2 4.46Å; W356-L359 HydrophobicContact CE3-CB 4.43Å; W356-L359 HydrophobicContact CE3-CD2 3.72Å; W356-L359 HydrophobicContact CH2-CD2 4.01Å; W356-L359 HydrophobicContact CZ3-CD2 3.47Å; W356-L359 VanDerWaalsContact CZ3-CD2 3.47Å; W356-L359 PolarHBondContact O-N 3.33Å; L359-S362 PolarHBondContact O-OG 3.5Å |
| 360 | L | 49 | Very low | 44.3 | Very low | 127 Ų | 127 | 101 Ų | 101 | 67% | 0.665 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -75.8 | -35.8 | 176.7 | -67.4 | 170.2 | 0 | 0 | 0 | 112.1 | W356 E358 S362 | W356-L360 VanDerWaalsContact O-CB 3.24Å; W356-L360 WeakPolarHBondContact O-CB 3.3Å; W356-L360 VanDerWaalsContact O-CG 3.23Å; W356-L360 WeakPolarHBondContact O-CG 3.4Å; W356-L360 PolarHBondContact O-N 3.48Å; E358-L360 PolarHBondContact O-N 3.26Å; L360-S362 VanDerWaalsContact C-N 3.33Å |
| 361 | A | 49.3 | Very low | 43.5 | Very low | 60 Ų | 60 | 107.8 Ų | 107.8 | 50% | 0.496 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -68.9 | -29.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | T357 E358 K363 S364 | T357-A361 WeakPolarHBondContact O-CB 3.46Å; T357-A361 PolarHBondContact O-N 3.23Å; E358-A361 PolarHBondContact O-N 2.97Å; A361-K363 PolarHBondContact O-N 2.93Å; A361-S364 PolarHBondContact O-N 2.93Å; A361-S364 VanDerWaalsContact O-N 3.09Å; A361-S364 PolarHBondContact O-OG 3.22Å |
| 362 | S | 45.9 | Very low | 42.9 | Very low | 85 Ų | 85 | 112.3 Ų | 112.3 | 59% | 0.594 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -11.4 | -179.5 | 76.3 | 0 | 0 | 0 | 0 | 114.4 | E358 L359 L360 | E358-S362 VanDerWaalsContact O-CB 3.25Å; E358-S362 WeakPolarHBondContact O-CB 3.37Å; E358-S362 PolarHBondContact O-N 3.46Å; L359-S362 PolarHBondContact O-OG 3.5Å; L360-S362 VanDerWaalsContact C-N 3.33Å |
| 363 | K | 43.8 | Very low | 42.5 | Very low | 186 Ų | 186 | 118.2 Ų | 118.2 | 81% | 0.809 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | 7 | 176.6 | -73.8 | -161.9 | 171.2 | -171.2 | 0 | 115.1 | A361 | A361-K363 PolarHBondContact O-N 2.93Š|
| 364 | S | 33.6 | Very low | 41.7 | Very low | 85 Ų | 85 | 122.1 Ų | 122.1 | 59% | 0.594 | 66% | 0.657 | S | S | * | * | trans | -122.1 | 82.8 | 172.5 | 58.7 | 0 | 0 | 0 | 0 | 112.1 | A361 | A361-S364 PolarHBondContact O-N 2.93Å; A361-S364 VanDerWaalsContact O-N 3.09Å; A361-S364 PolarHBondContact O-OG 3.22Å | ||
| 365 | P | 41.6 | Very low | 40.7 | Very low | 100 Ų | 100 | 128 Ų | 128 | 65% | 0.649 | 69% | 0.686 | S | S | * | * | trans | -68.5 | 154 | 152.6 | 33.6 | -32.9 | 0 | 0 | 0 | 109 | ||||
| 366 | I | 37.1 | Very low | 40 | Very low | 152 Ų | 152 | 128.3 Ų | 128.3 | 78% | 0.779 | 69% | 0.689 | S | S | * | * | trans | 76.9 | 84.9 | 175.2 | -39 | 156.4 | 0 | 0 | 0 | 115.1 | ||||
| 367 | L | 33.2 | Very low | 39.3 | Very low | 158 Ų | 158 | 132.3 Ų | 132.3 | 83% | 0.827 | 71% | 0.713 | S | S | * | * | -164.3 | 124.5 | 103.6 | -131.3 | 104.3 | 0 | 0 | 0 | 110.9 | |||||
| 368 | P | 36.2 | Very low | 38.6 | Very low | 124 Ų | 124 | 138 Ų | 138 | 81% | 0.805 | 73% | 0.734 | S | S | * | * | trans | -87.4 | 133.8 | 167.6 | 33 | -29.8 | 0 | 0 | 0 | 111 | ||||
| 369 | G | 36.3 | Very low | 38 | Very low | 63 Ų | 63 | 138.6 Ų | 138.6 | 65% | 0.649 | 74% | 0.737 | S | S | * | * | trans | 110.5 | 141.4 | 159 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 370 | T | 39.1 | Very low | 37.4 | Very low | 132 Ų | 132 | 142.8 Ų | 142.8 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | trans | 80.9 | 60 | 159 | -33.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 371 | Y | 29.2 | Very low | 37 | Very low | 234 Ų | 234 | 145.1 Ų | 145.1 | 92% | 0.918 | 76% | 0.763 | S | S | * | * | trans | -139 | 89.3 | 141.7 | -79 | -70.7 | 0 | 0 | 0 | 111 | ||||
| 372 | Q | 31.8 | Very low | 36.5 | Very low | 176 Ų | 176 | 146.5 Ų | 146.5 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -110.6 | 80.5 | 172.9 | -173.6 | 172.7 | -3.2 | 0 | 0 | 110.2 | ||||
| 373 | W | 31.1 | Very low | 36.3 | Very low | 236 Ų | 236 | 149.8 Ų | 149.8 | 89% | 0.894 | 78% | 0.784 | S | S | * | * | trans | -140.3 | 121.2 | 163.8 | -70.5 | 74 | 0 | 0 | 0 | 104.4 | ||||
| 374 | T | 32.9 | Very low | 36 | Very low | 130 Ų | 130 | 147.5 Ų | 147.5 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | cis | -137.7 | 126.3 | 30.6 | 51.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 375 | L | 32.2 | Very low | 36.1 | Very low | 145 Ų | 145 | 150.4 Ų | 150.4 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | -127.9 | 141.5 | 156 | -157.8 | 75.6 | 0 | 0 | 0 | 108 | ||||
| 376 | S | 34.1 | Very low | 35.7 | Very low | 86 Ų | 86 | 152.1 Ų | 152.1 | 60% | 0.601 | 80% | 0.803 | S | S | * | * | trans | -63.7 | 146.4 | -170.5 | 46.6 | 0 | 0 | 0 | 0 | 112.6 | Q378 | S376-Q378 PolarHBondContact O-N 3.01Š| ||
| 377 | Q | 35.8 | Very low | 35.6 | Very low | 197 Ų | 197 | 152.3 Ų | 152.3 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 7.7 | -177.4 | -115.7 | -163.9 | -10.4 | 0 | 0 | 115 | ||
| 378 | Q | 38 | Very low | 35.5 | Very low | 191 Ų | 191 | 147.7 Ų | 147.7 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | 6.9 | -164.5 | -157.1 | 151.7 | -6.9 | 0 | 0 | 114.8 | S376 | S376-Q378 PolarHBondContact O-N 3.01Š|
| 379 | E | 40.3 | Very low | 35.3 | Very low | 149 Ų | 149 | 150.6 Ų | 150.6 | 70% | 0.696 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -115.9 | -3.4 | 174.9 | -149.7 | 163.7 | -152.6 | 0 | 0 | 113.2 | L381 | E379-L381 VanDerWaalsContact C-N 3.28Å; E379-L381 PolarHBondContact O-N 3.11Å; E379-L381 VanDerWaalsContact O-N 3.13Å |
| 380 | K | 34.3 | Very low | 34.9 | Very low | 182 Ų | 182 | 150.8 Ų | 150.8 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | 38.8 | -176.8 | -153.5 | -166.9 | 176.4 | -176.5 | 0 | 114.4 | ||
| 381 | L | 41 | Very low | 34.6 | Very low | 176 Ų | 176 | 153.6 Ų | 153.6 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.2 | 5.3 | 174.9 | -80.3 | 174.5 | 0 | 0 | 0 | 114.5 | E379 | E379-L381 VanDerWaalsContact C-N 3.28Å; E379-L381 PolarHBondContact O-N 3.11Å; E379-L381 VanDerWaalsContact O-N 3.13Å |
| 382 | A | 39.7 | Very low | 34.7 | Very low | 90 Ų | 90 | 147.5 Ų | 147.5 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -106.7 | -0.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 383 | I | 40.8 | Very low | 34.7 | Very low | 154 Ų | 154 | 147.3 Ų | 147.3 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -138.4 | 56.9 | -178.6 | -41 | 178.1 | 0 | 0 | 0 | 110.6 | ||
| 384 | V | 38.8 | Very low | 34.7 | Very low | 137 Ų | 137 | 141 Ų | 141 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | trans | -138.1 | 65.5 | 156.8 | -171.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 385 | D | 34.1 | Very low | 34.7 | Very low | 146 Ų | 146 | 142.3 Ų | 142.3 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -146.7 | 157.4 | 151.7 | -148 | -17.8 | 0 | 0 | 0 | 107.9 | ||
| 386 | T | 34.2 | Very low | 35 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | 71.5 | 54.1 | -170 | 71.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 387 | V | 34.5 | Very low | 34.8 | Very low | 157 Ų | 157 | 144.7 Ų | 144.7 | 95% | 0.952 | 81% | 0.807 | S | S | * | * | trans | -91.7 | 108.5 | 145 | 173.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 388 | G | 31.3 | Very low | 34.4 | Very low | 60 Ų | 60 | 144.9 Ų | 144.9 | 62% | 0.619 | 80% | 0.801 | S | S | * | * | trans | 173.2 | 115.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 389 | L | 31.6 | Very low | 34 | Very low | 186 Ų | 186 | 142 Ų | 142 | 97% | 0.974 | 80% | 0.796 | S | S | * | * | trans | 77.3 | 144.3 | 165.3 | -73.4 | 73.8 | 0 | 0 | 0 | 119.6 | ||||
| 390 | G | 28.5 | Very low | 33.5 | Very low | 66 Ų | 66 | 141.6 Ų | 141.6 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | trans | 93.9 | 119.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 391 | E | 32.1 | Very low | 33.3 | Very low | 191 Ų | 191 | 141.6 Ų | 141.6 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | cis | 54.2 | 125.1 | 41.3 | -58.1 | -175.5 | 167.9 | 0 | 0 | 111.9 | ||||
| 392 | T | 31.7 | Very low | 32.8 | Very low | 107 Ų | 107 | 139.4 Ų | 139.4 | 66% | 0.656 | 79% | 0.793 | S | S | * | * | cis | -157.9 | -179.3 | -1.5 | 25.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 393 | E | 31.4 | Very low | 32.2 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | 68.7 | 154 | 159.1 | -66.8 | 142.1 | -113.7 | 0 | 0 | 118.9 | ||||
| 394 | S | 30.9 | Very low | 31.7 | Very low | 103 Ų | 103 | 147.3 Ų | 147.3 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | cis | -167.3 | 135.7 | -28.7 | 55.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 395 | L | 34.6 | Very low | 31.2 | Very low | 158 Ų | 158 | 149.4 Ų | 149.4 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | -76.8 | 154.6 | 164.5 | -91.8 | 132.8 | 0 | 0 | 0 | 110.7 | ||||
| 396 | P | 38.2 | Very low | 30.8 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | -145.4 | 160.3 | 114.6 | 35.2 | -19.7 | 0 | 0 | 0 | 116.6 | |||||
| 397 | L | 29.7 | Very low | 30.4 | Very low | 156 Ų | 156 | 145.1 Ų | 145.1 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | trans | -118.1 | 125.3 | 170.8 | -98.1 | 162.8 | 0 | 0 | 0 | 109.5 | ||||
| 398 | Y | 26.5 | Very low | 30.1 | Very low | 202 Ų | 202 | 143.2 Ų | 143.2 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -178.4 | 153.4 | 148 | -121.9 | -119 | 0 | 0 | 0 | 106.8 | ||||
| 399 | T | 29.5 | Very low | 30 | Very low | 129 Ų | 129 | 147.6 Ų | 147.6 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | cis | -146.2 | 147.5 | 49.9 | 46.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 400 | L | 30 | Very low | 30 | Very low | 142 Ų | 142 | 146.3 Ų | 146.3 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | trans | -94.7 | 143.1 | 156.1 | -83.5 | 168.3 | 0 | 0 | 0 | 109.6 | ||||
| 401 | M | 30 | Very low | 30 | Very low | 182 Ų | 182 | 146.6 Ų | 146.6 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | trans | -142.9 | 138 | 154.1 | -97.8 | -78.8 | 86 | 0 | 0 | 109.2 | ||||
| 402 | D | 31 | Very low | 29.8 | Very low | 130 Ų | 130 | 145.7 Ų | 145.7 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | trans | -127.1 | 134.3 | 177.4 | 172.8 | 28.8 | 0 | 0 | 0 | 106.8 | ||||
| 403 | E | 27.8 | Very low | 29.6 | Very low | 192 Ų | 192 | 147.2 Ų | 147.2 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | trans | -154.6 | 128.6 | 148.9 | -132.2 | -177.5 | -168.8 | 0 | 0 | 112.3 | ||||
| 404 | R | 29 | Very low | 30 | Very low | 217 Ų | 217 | 146.6 Ų | 146.6 | 82% | 0.819 | 81% | 0.81 | S | S | * | * | trans | -85.8 | 136.7 | 169.9 | -68.8 | 172.2 | 166.3 | -169.6 | -3.7 | 110.3 | ||||
| 405 | L | 28.2 | Very low | 29.9 | Very low | 182 Ų | 182 | 148.7 Ų | 148.7 | 95% | 0.953 | 81% | 0.812 | S | S | * | * | trans | -167.7 | 155.7 | 130.9 | -132.6 | 67.8 | 0 | 0 | 0 | 112.7 | ||||
| 406 | G | 26.8 | Very low | 29.5 | Very low | 67 Ų | 67 | 150.7 Ų | 150.7 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | trans | 102.3 | 66.5 | 148.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 407 | S | 25.3 | Very low | 29 | Very low | 124 Ų | 124 | 153.3 Ų | 153.3 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | trans | -12.4 | 130.3 | 147.6 | 53.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 408 | S | 28 | Very low | 29 | Very low | 118 Ų | 118 | 149.8 Ų | 149.8 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | -162.8 | 150.3 | 129.6 | -166 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 409 | L | 30.1 | Very low | 29.1 | Very low | 151 Ų | 151 | 147.4 Ų | 147.4 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -69.1 | 140.1 | -178.8 | -79 | 63.7 | 0 | 0 | 0 | 112.6 | ||||
| 410 | N | 31.1 | Very low | 29.2 | Very low | 159 Ų | 159 | 153.1 Ų | 153.1 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | 179.5 | 149.9 | 101.3 | -105.9 | -16.6 | 0 | 0 | 0 | 113.8 | |||||
| 411 | G | 28.4 | Very low | 29.4 | Very low | 72 Ų | 72 | 150.4 Ų | 150.4 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | 97.7 | 112.5 | 153.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 412 | L | 28 | Very low | 29.6 | Very low | 173 Ų | 173 | 149.8 Ų | 149.8 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | -61.2 | 149.7 | 154.8 | -67.9 | 86.8 | 0 | 0 | 0 | 108.5 | ||||
| 413 | D | 28.1 | Very low | 29.7 | Very low | 139 Ų | 139 | 149.8 Ų | 149.8 | 74% | 0.743 | 81% | 0.809 | S | S | * | * | -161 | 159.3 | 74.1 | -159.4 | 6.4 | 0 | 0 | 0 | 113.4 | |||||
| 414 | L | 38.4 | Very low | 30 | Very low | 157 Ų | 157 | 152 Ų | 152 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -114.9 | 76.2 | -165.4 | -154.8 | 167.9 | 0 | 0 | 0 | 110.6 | ||||
| 415 | L | 29 | Very low | 30.3 | Very low | 147 Ų | 147 | 153.1 Ų | 153.1 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | trans | -129.1 | 99 | 175.8 | -74.1 | 178.3 | 0 | 0 | 0 | 113.3 | H417 | L415-H417 PolarHBondContact O-N 3.39Š| ||
| 416 | Y | 26.7 | Very low | 30.6 | Very low | 200 Ų | 200 | 152.3 Ų | 152.3 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | 11.4 | 108.4 | 130.5 | -171.5 | -91.6 | 0 | 0 | 0 | 116.4 | ||||
| 417 | H | 28.5 | Very low | 31 | Very low | 181 Ų | 181 | 157.4 Ų | 157.4 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | trans | -153.8 | 141.7 | 143.1 | -111.4 | 47.3 | 0 | 0 | 0 | 112.4 | L415 | L415-H417 PolarHBondContact O-N 3.39Š| ||
| 418 | S | 27.8 | Very low | 31.2 | Very low | 82 Ų | 82 | 159 Ų | 159 | 57% | 0.573 | 82% | 0.821 | S | S | * | * | trans | -95.6 | 175 | -177.1 | 46.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 419 | N | 29.2 | Very low | 31.5 | Very low | 151 Ų | 151 | 162 Ų | 162 | 81% | 0.807 | 83% | 0.827 | S | S | * | * | trans | 81.9 | 64.4 | 171.3 | -51.4 | -40.3 | 0 | 0 | 0 | 118.1 | ||||
| 420 | R | 31.7 | Very low | 31.5 | Very low | 250 Ų | 250 | 162 Ų | 162 | 94% | 0.943 | 83% | 0.828 | S | S | * | * | trans | -96.3 | 65.3 | 156.6 | -171.2 | -178 | 139.6 | 140.4 | -3.6 | 110.9 | ||||
| 421 | A | 33.6 | Very low | 31.4 | Very low | 85 Ų | 85 | 161.9 Ų | 161.9 | 70% | 0.702 | 83% | 0.826 | S | S | * | * | trans | -149.9 | 29.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 422 | L | 36 | Very low | 31.3 | Very low | 169 Ų | 169 | 161.6 Ų | 161.6 | 89% | 0.885 | 82% | 0.823 | S | S | * | * | trans | -142.4 | 13 | 172.1 | -80.4 | -176.2 | 0 | 0 | 0 | 115.2 | Y424 | L422-Y424 PolarHBondContact O-N 3.25Š| ||
| 423 | V | 33 | Very low | 31.4 | Very low | 129 Ų | 129 | 162.1 Ų | 162.1 | 78% | 0.782 | 83% | 0.826 | S | S | * | * | trans | -96.4 | 48.5 | -173.4 | -165.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 424 | Y | 33 | Very low | 31.5 | Very low | 238 Ų | 238 | 164 Ų | 164 | 93% | 0.933 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -148.2 | 41.8 | 170.8 | -99 | -69.7 | 0 | 0 | 0 | 112.7 | L422 | L422-Y424 PolarHBondContact O-N 3.25Š|
| 425 | R | 36.4 | Very low | 31 | Very low | 242 Ų | 242 | 160.2 Ų | 160.2 | 91% | 0.913 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -158 | 46.7 | 162.3 | -140.8 | 179.8 | -174.2 | 173.6 | 2.9 | 115.9 | ||
| 426 | D | 32.8 | Very low | 30.9 | Very low | 165 Ų | 165 | 158.8 Ų | 158.8 | 88% | 0.882 | 84% | 0.837 | S | S | * | * | trans | -150.5 | 64.6 | 169.9 | -141.4 | 11 | 0 | 0 | 0 | 111.5 | ||||
| 427 | L | 35.3 | Very low | 31 | Very low | 173 Ų | 173 | 159 Ų | 159 | 91% | 0.906 | 85% | 0.845 | S | S | * | * | trans | -148.3 | 62.8 | 172.7 | -155.3 | 89.2 | 0 | 0 | 0 | 111 | ||||
| 428 | D | 31.2 | Very low | 31 | Very low | 157 Ų | 157 | 159.4 Ų | 159.4 | 84% | 0.84 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -161.5 | 85.1 | 151.8 | -140.4 | 7.1 | 0 | 0 | 0 | 110.3 | ||
| 429 | L | 32.6 | Very low | 31.9 | Very low | 183 Ų | 183 | 159.6 Ų | 159.6 | 96% | 0.958 | 84% | 0.843 | S | S | * | * | trans | 167 | 81.4 | 159.2 | -95 | 156.5 | 0 | 0 | 0 | 109.1 | ||||
| 430 | D | 30.1 | Very low | 31.8 | Very low | 149 Ų | 149 | 161 Ų | 161 | 80% | 0.797 | 85% | 0.845 | S | S | * | * | trans | -114.7 | 160.8 | 164.5 | -164.9 | 12.8 | 0 | 0 | 0 | 110.2 | ||||
| 431 | L | 29.7 | Very low | 31.7 | Very low | 158 Ų | 158 | 156.9 Ų | 156.9 | 83% | 0.827 | 84% | 0.842 | S | S | * | * | trans | 78.1 | 92.1 | 164.8 | -114 | 66.8 | 0 | 0 | 0 | 119 | ||||
| 432 | G | 26.5 | Very low | 31.6 | Very low | 66 Ų | 66 | 156 Ų | 156 | 68% | 0.68 | 84% | 0.841 | S | S | * | * | 140.2 | 100.3 | 109.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 433 | L | 29.4 | Very low | 31.2 | Very low | 184 Ų | 184 | 151.9 Ų | 151.9 | 96% | 0.963 | 84% | 0.84 | S | S | * | * | 171.6 | 125.1 | 115.2 | -92.6 | 160.2 | 0 | 0 | 0 | 111.6 | |||||
| 434 | L | 29.8 | Very low | 31.1 | Very low | 177 Ų | 177 | 149.5 Ų | 149.5 | 93% | 0.927 | 84% | 0.841 | S | S | * | * | trans | -139.3 | 123.3 | 169.1 | -149.1 | 177.2 | 0 | 0 | 0 | 106.6 | ||||
| 435 | G | 29.5 | Very low | 31 | Very low | 79 Ų | 79 | 150 Ų | 150 | 81% | 0.814 | 84% | 0.841 | S | S | * | * | trans | 168.1 | 99.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 436 | S | 27.1 | Very low | 30.6 | Very low | 117 Ų | 117 | 146.7 Ų | 146.7 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | -125.9 | 110 | 176.9 | 157.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 437 | E | 27.5 | Very low | 31.2 | Very low | 204 Ų | 204 | 143.6 Ų | 143.6 | 95% | 0.953 | 83% | 0.825 | S | S | * | * | trans | -137.1 | 168.5 | 160.7 | -75.2 | -157.1 | 108 | 0 | 0 | 110.9 | ||||
| 438 | K | 29.1 | Very low | 31 | Very low | 189 Ų | 189 | 141.2 Ų | 141.2 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | trans | -121 | -164 | -153.6 | -158.7 | -151.8 | 170.1 | -168.1 | 0 | 110.8 | ||||
| 439 | P | 45.6 | Very low | 30.9 | Very low | 86 Ų | 86 | 137.5 Ų | 137.5 | 56% | 0.558 | 82% | 0.822 | S | S | * | * | -95 | 175.4 | -99.3 | 34.2 | -17.8 | 0 | 0 | 0 | 115.4 | |||||
| 440 | E | 29 | Very low | 30.8 | Very low | 181 Ų | 181 | 132.2 Ų | 132.2 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | 171.8 | 148.6 | 116.3 | -84.3 | -104 | 103.7 | 0 | 0 | 113.4 | |||||
| 441 | D | 29.7 | Very low | 30.9 | Very low | 164 Ų | 164 | 130.7 Ų | 130.7 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | trans | 61.4 | 159.6 | 153.6 | -152.8 | 22.4 | 0 | 0 | 0 | 122.9 | ||||
| 442 | G | 30.6 | Very low | 31 | Very low | 65 Ų | 65 | 127.9 Ų | 127.9 | 67% | 0.67 | 81% | 0.806 | S | S | * | * | trans | 112.4 | 62.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 443 | G | 28.3 | Very low | 31.4 | Very low | 84 Ų | 84 | 134.4 Ų | 134.4 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | trans | -65.4 | 173.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 444 | G | 29.8 | Very low | 31.5 | Very low | 78 Ų | 78 | 131.4 Ų | 131.4 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | 131 | 120.4 | 148.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 445 | R | 30.5 | Very low | 31.8 | Very low | 248 Ų | 248 | 128.1 Ų | 128.1 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | trans | 63.7 | 108.9 | 150 | -92.8 | 179.9 | 167.3 | 164.1 | -4.3 | 120.8 | ||||
| 446 | E | 29.3 | Very low | 32 | Very low | 173 Ų | 173 | 132 Ų | 132 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | -60.3 | 169.5 | 132 | -81.3 | -159.8 | -165.1 | 0 | 0 | 112 | ||||
| 447 | P | 45.5 | Very low | 32.4 | Very low | 101 Ų | 101 | 130.8 Ų | 130.8 | 66% | 0.656 | 80% | 0.796 | S | S | * | * | cis | -145.5 | 178.8 | 22.4 | 45.1 | -26.5 | 0 | 0 | 0 | 118.9 | ||||
| 448 | S | 30.9 | Very low | 32.9 | Very low | 122 Ų | 122 | 127.5 Ų | 127.5 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | 67 | 135.7 | 145.6 | -62.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 449 | G | 29.2 | Very low | 33.3 | Very low | 80 Ų | 80 | 123.7 Ų | 123.7 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | 147.6 | 117 | 134.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 450 | G | 29.7 | Very low | 33.3 | Very low | 71 Ų | 71 | 126.4 Ų | 126.4 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | 79.7 | 130.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 451 | S | 32 | Very low | 33.9 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | 64.4 | 130.8 | 61.5 | 75.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 452 | S | 32.1 | Very low | 34.6 | Very low | 100 Ų | 100 | 129.2 Ų | 129.2 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | cis | -174.2 | 158.2 | 8 | 39.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 453 | F | 34.6 | Very low | 35.2 | Very low | 203 Ų | 203 | 131.5 Ų | 131.5 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | trans | 27 | 124.8 | 149.3 | -76 | -90.7 | 0 | 0 | 0 | 121.1 | ||||
| 454 | S | 32 | Very low | 36.3 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | -166.2 | 146.8 | 106.3 | 49.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 455 | S | 36.8 | Very low | 37.1 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -114.7 | 140.1 | 173.1 | -58.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 456 | D | 32.3 | Very low | 37.9 | Very low | 161 Ų | 161 | 128.9 Ų | 128.9 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | 168.9 | 156.8 | 143.7 | -91.6 | -21.2 | 0 | 0 | 0 | 107.2 | ||||
| 457 | S | 37 | Very low | 39.4 | Very low | 91 Ų | 91 | 127.3 Ų | 127.3 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | cis | 170 | 169.6 | -19.5 | -174.1 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 458 | T | 38 | Very low | 40.2 | Very low | 135 Ų | 135 | 127.6 Ų | 127.6 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | trans | 71.5 | 94.6 | 171.5 | 71.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 459 | A | 36.8 | Very low | 41.5 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | trans | -166.2 | 59.8 | 147.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 460 | D | 45.3 | Very low | 43.1 | Very low | 142 Ų | 142 | 132.3 Ų | 132.3 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | trans | -125.3 | 105.2 | 173.1 | -166.1 | 7.9 | 0 | 0 | 0 | 111.1 | ||||
| 461 | L | 42.2 | Very low | 44.7 | Very low | 179 Ų | 179 | 136.7 Ų | 136.7 | 94% | 0.937 | 77% | 0.766 | S | S | * | * | trans | -146.2 | 68.4 | 172.8 | -74.6 | -179.3 | 0 | 0 | 0 | 109.3 | ||||
| 462 | R | 43.9 | Very low | 46.4 | Very low | 226 Ų | 226 | 134.1 Ų | 134.1 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -90 | 137.2 | 158.1 | -101.8 | -177.6 | 174.9 | 139.2 | -0.5 | 109.9 | ||
| 463 | P | 44 | Very low | 48.1 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 145.3 | 168.9 | 28.9 | -33.6 | 0 | 0 | 0 | 109.9 | ||
| 464 | P | 50.8 | Low | 49.3 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 81% | 0.805 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 150.8 | 176.1 | 27.6 | -34.4 | 0 | 0 | 0 | 111 | ||
| 465 | S | 45.8 | Very low | 50.8 | Low | 107 Ų | 107 | 128 Ų | 128 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 151.9 | 175 | 43.9 | 0 | 0 | 0 | 0 | 111.7 | I467 | S465-I467 PolarHBondContact O-N 2.92Š|
| 466 | P | 48.2 | Very low | 52 | Low | 124 Ų | 124 | 126.3 Ų | 126.3 | 81% | 0.805 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 136.7 | 179.9 | -23.4 | 33.7 | 0 | 0 | 0 | 112.3 | N468 | P466-N468 PolarHBondContact O-N 3.46Š|
| 467 | I | 61.3 | Low | 53 | Low | 140 Ų | 140 | 124.2 Ų | 124.2 | 72% | 0.718 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 120.3 | 176.6 | -72.9 | 172.4 | 0 | 0 | 0 | 109.6 | S465 L469 | S465-I467 PolarHBondContact O-N 2.92Å; I467-L469 VanDerWaalsContact C-N 3.33Å; I467-L469 HydrophobicContact CG2-CD2 4.01Å; I467-L469 HydrophobicContact CG2-CG 4.38Å; I467-L469 PolarHBondContact O-N 3.3Å |
| 468 | N | 61.2 | Low | 53.7 | Low | 107 Ų | 107 | 125 Ų | 125 | 57% | 0.572 | 68% | 0.676 | S | S | * | * | trans | -79.5 | 85.1 | 175.2 | -168.5 | -28.6 | 0 | 0 | 0 | 109.5 | P466 R470 R471 S472 | P466-N468 PolarHBondContact O-N 3.46Å; N468-R470 PolarHBondContact O-N 2.82Å; N468-R470 VanDerWaalsContact O-N 3.11Å; N468-R470 WeakPolarHBondContact OD1-CB 3.18Å; N468-R470 PolarHBondContact OD1-N 2.84Å; N468-R471 HydrophobicContact CB-CB 4.46Å; N468-R471 PolarHBondContact O-N 3.2Å; N468-S472 PolarHBondContact O-N 2.98Å | ||
| 469 | L | 58.8 | Low | 54.3 | Low | 114 Ų | 114 | 122.5 Ų | 122.5 | 60% | 0.597 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -52.4 | -33.1 | -178.5 | -68.9 | 171.3 | 0 | 0 | 0 | 112.7 | I467 R471 S472 I473 | I467-L469 VanDerWaalsContact C-N 3.33Å; I467-L469 HydrophobicContact CG2-CD2 4.01Å; I467-L469 HydrophobicContact CG2-CG 4.38Å; I467-L469 PolarHBondContact O-N 3.3Å; L469-R471 PolarHBondContact O-N 3.5Å; L469-S472 PolarHBondContact O-N 2.98Å; L469-I473 HydrophobicContact CB-CD1 4.42Å; L469-I473 WeakPolarHBondContact O-CB 3.32Å; L469-I473 WeakPolarHBondContact O-CD1 3.32Å; L469-I473 WeakPolarHBondContact O-CG1 3.23Å; L469-I473 PolarHBondContact O-N 3.22Å |
| 470 | R | 62.9 | Low | 55.2 | Low | 188 Ų | 188 | 127.1 Ų | 127.1 | 71% | 0.709 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -61 | -44.6 | 177.9 | -169.8 | 179 | -178.8 | -178.6 | 2.3 | 111.9 | N468 I473 D474 | N468-R470 PolarHBondContact O-N 2.82Å; N468-R470 VanDerWaalsContact O-N 3.11Å; N468-R470 WeakPolarHBondContact OD1-CB 3.18Å; N468-R470 PolarHBondContact OD1-N 2.84Å; R470-I473 PolarHBondContact O-N 3.39Å; R470-D474 PolarHBondContact O-N 3.37Å |
| 471 | R | 62.1 | Low | 55.6 | Low | 162 Ų | 162 | 123.9 Ų | 123.9 | 61% | 0.611 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -66.1 | -43.6 | 175.3 | -174.9 | 177.9 | -179.3 | 155.3 | 4.6 | 111.6 | N468 L469 I473 D474 E475 | N468-R471 HydrophobicContact CB-CB 4.46Å; N468-R471 PolarHBondContact O-N 3.2Å; L469-R471 PolarHBondContact O-N 3.5Å; R471-I473 VanDerWaalsContact C-N 3.28Å; R471-I473 PolarHBondContact O-N 2.89Å; R471-D474 PolarHBondContact O-N 2.97Å; R471-E475 IonicContact NE-OE1 3.45Å; R471-E475 PolarHBondContact NE-OE1 2.84Å; R471-E475 IonicContact NE-OE2 3.92Å; R471-E475 IonicContact NH2-OE1 3.75Å; R471-E475 WeakPolarHBondContact O-CB 3.48Å; R471-E475 PolarHBondContact O-N 3.35Å |
| 472 | S | 68.8 | Low | 55.9 | Low | 63 Ų | 63 | 122.8 Ų | 122.8 | 44% | 0.441 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -63.6 | -31.7 | 177.9 | -175 | 0 | 0 | 0 | 0 | 113.2 | N468 L469 A476 | N468-S472 PolarHBondContact O-N 2.98Å; L469-S472 PolarHBondContact O-N 2.98Å; S472-A476 WeakPolarHBondContact O-CB 3.26Å; S472-A476 PolarHBondContact O-N 2.98Å |
| 473 | I | 67.5 | Low | 55.9 | Low | 93 Ų | 93 | 119.9 Ų | 119.9 | 48% | 0.477 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -76.5 | -42.2 | 176.8 | -70 | 162.5 | 0 | 0 | 0 | 110.4 | L469 R470 R471 A476 L477 | L469-I473 HydrophobicContact CB-CD1 4.42Å; L469-I473 WeakPolarHBondContact O-CB 3.32Å; L469-I473 WeakPolarHBondContact O-CD1 3.32Å; L469-I473 WeakPolarHBondContact O-CG1 3.23Å; L469-I473 PolarHBondContact O-N 3.22Å; R470-I473 PolarHBondContact O-N 3.39Å; R471-I473 VanDerWaalsContact C-N 3.28Å; R471-I473 PolarHBondContact O-N 2.89Å; I473-A476 PolarHBondContact O-N 2.88Å; I473-L477 HydrophobicContact CG2-CD1 3.64Å; I473-L477 HydrophobicContact CG2-CG 4.27Å; I473-L477 WeakPolarHBondContact O-CB 3.31Å; I473-L477 VanDerWaalsContact O-CG 3.29Å; I473-L477 WeakPolarHBondContact O-CG 3.4Å; I473-L477 PolarHBondContact O-N 3.11Å |
| 474 | D | 60.3 | Low | 55.8 | Low | 89 Ų | 89 | 120.7 Ų | 120.7 | 48% | 0.476 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -62.8 | -41.4 | 174.1 | -75 | -23.8 | 0 | 0 | 0 | 111.7 | R470 R471 F478 | R470-D474 PolarHBondContact O-N 3.37Å; R471-D474 PolarHBondContact O-N 2.97Å; D474-F478 PolarHBondContact O-N 3.03Å |
| 475 | E | 63.3 | Low | 55.6 | Low | 113 Ų | 113 | 122.3 Ų | 122.3 | 53% | 0.528 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -67.3 | -36.9 | 174.2 | -88.4 | 161.3 | 174 | 0 | 0 | 112.3 | R471 S479 | R471-E475 IonicContact NE-OE1 3.45Å; R471-E475 PolarHBondContact NE-OE1 2.84Å; R471-E475 IonicContact NE-OE2 3.92Å; R471-E475 IonicContact NH2-OE1 3.75Å; R471-E475 WeakPolarHBondContact O-CB 3.48Å; R471-E475 PolarHBondContact O-N 3.35Å; E475-S479 VanDerWaalsContact O-CB 3.28Å; E475-S479 WeakPolarHBondContact O-CB 3.5Å; E475-S479 PolarHBondContact O-N 3.37Å; E475-S479 PolarHBondContact O-OG 3.43Å |
| 476 | A | 61 | Low | 55.5 | Low | 74 Ų | 74 | 121.2 Ų | 121.2 | 61% | 0.612 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -76.5 | -25.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S472 I473 | S472-A476 WeakPolarHBondContact O-CB 3.26Å; S472-A476 PolarHBondContact O-N 2.98Å; I473-A476 PolarHBondContact O-N 2.88Å |
| 477 | L | 53 | Low | 55.6 | Low | 117 Ų | 117 | 123.2 Ų | 123.2 | 61% | 0.613 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -86.9 | -20.3 | 178.7 | -72.7 | 173.2 | 0 | 0 | 0 | 113.5 | I473 | I473-L477 HydrophobicContact CG2-CD1 3.64Å; I473-L477 HydrophobicContact CG2-CG 4.27Å; I473-L477 WeakPolarHBondContact O-CB 3.31Å; I473-L477 VanDerWaalsContact O-CG 3.29Å; I473-L477 WeakPolarHBondContact O-CG 3.4Å; I473-L477 PolarHBondContact O-N 3.11Å |
| 478 | F | 53.7 | Low | 54.7 | Low | 107 Ų | 107 | 125.8 Ų | 125.8 | 47% | 0.469 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -131.9 | 18.2 | -172.5 | -64 | -77.6 | 0 | 0 | 0 | 115 | D474 E480 | D474-F478 PolarHBondContact O-N 3.03Å; F478-E480 PolarHBondContact O-N 3.19Å |
| 479 | S | 50.1 | Low | 53.6 | Low | 83 Ų | 83 | 125 Ų | 125 | 58% | 0.58 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -70.7 | 98.1 | 169.8 | 53 | 0 | 0 | 0 | 0 | 111.9 | E475 A481 | E475-S479 VanDerWaalsContact O-CB 3.28Å; E475-S479 WeakPolarHBondContact O-CB 3.5Å; E475-S479 PolarHBondContact O-N 3.37Å; E475-S479 PolarHBondContact O-OG 3.43Å; S479-A481 VanDerWaalsContact C-N 3.26Å; S479-A481 PolarHBondContact O-N 3.27Å |
| 480 | E | 54.3 | Low | 52.3 | Low | 205 Ų | 205 | 125.5 Ų | 125.5 | 96% | 0.958 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 49.2 | 24.1 | 156.9 | -65.7 | -168.4 | 135.7 | 0 | 0 | 119.1 | F478 | F478-E480 PolarHBondContact O-N 3.19Š|
| 481 | A | 54 | Low | 51 | Low | 74 Ų | 74 | 123.3 Ų | 123.3 | 61% | 0.612 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -146.4 | 122.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 113 | S479 | S479-A481 VanDerWaalsContact C-N 3.26Å; S479-A481 PolarHBondContact O-N 3.27Å |
| 482 | L | 49.8 | Very low | 49.8 | Very low | 157 Ų | 157 | 126.5 Ų | 126.5 | 82% | 0.822 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 92.7 | -23.3 | 157.1 | -53.3 | 174.4 | 0 | 0 | 0 | 121.7 | ||
| 483 | F | 42.6 | Very low | 48.1 | Very low | 165 Ų | 165 | 129.3 Ų | 129.3 | 72% | 0.724 | 70% | 0.702 | S | S | * | * | trans | -144.3 | 129.7 | 174 | -65.8 | -73.8 | 0 | 0 | 0 | 115.2 | ||||
| 484 | P | 42.6 | Very low | 46.4 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 83% | 0.831 | 72% | 0.72 | S | S | * | * | trans | -102.5 | 16.6 | -170.8 | 40 | -37.8 | 0 | 0 | 0 | 116.5 | ||||
| 485 | M | 46.5 | Very low | 44.9 | Very low | 159 Ų | 159 | 139.9 Ų | 139.9 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | trans | -136 | 130.2 | -178.6 | -69 | -160.5 | -65.8 | 0 | 0 | 114.2 | ||||
| 486 | S | 44.2 | Very low | 43.2 | Very low | 83 Ų | 83 | 140.4 Ų | 140.4 | 58% | 0.58 | 76% | 0.755 | S | S | * | * | trans | -85.3 | 131.4 | 169.8 | 177.2 | 0 | 0 | 0 | 0 | 111 | F488 | S486-F488 VanDerWaalsContact C-N 3.3Å; S486-F488 PolarHBondContact O-N 2.91Å | ||
| 487 | L | 49.5 | Very low | 41.8 | Very low | 166 Ų | 166 | 142 Ų | 142 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 0.2 | -176.1 | -78.2 | 167.5 | 0 | 0 | 0 | 115.1 | ||
| 488 | F | 43.1 | Very low | 40.7 | Very low | 194 Ų | 194 | 144.5 Ų | 144.5 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.4 | 27 | -173.8 | -67.8 | -69.7 | 0 | 0 | 0 | 114.7 | S486 | S486-F488 VanDerWaalsContact C-N 3.3Å; S486-F488 PolarHBondContact O-N 2.91Å |
| 489 | S | 38 | Very low | 39.6 | Very low | 91 Ų | 91 | 144.3 Ų | 144.3 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -129.9 | 131.9 | 174.1 | -161.8 | 0 | 0 | 0 | 0 | 111.8 | ||
| 490 | P | 32.3 | Very low | 38.7 | Very low | 124 Ų | 124 | 145.8 Ų | 145.8 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | trans | -71.2 | 140.8 | -178.9 | 28.6 | -33.7 | 0 | 0 | 0 | 112.3 | ||||
| 491 | V | 35.3 | Very low | 37.5 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -58.2 | 134.9 | -167.9 | 178.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 492 | R | 36 | Very low | 36.2 | Very low | 230 Ų | 230 | 145.9 Ų | 145.9 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | trans | -121 | 131.7 | 160.6 | -120.7 | 179.4 | -174.9 | 168.3 | 3.1 | 109.1 | ||||
| 493 | P | 33.8 | Very low | 35.3 | Very low | 121 Ų | 121 | 143.9 Ų | 143.9 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -69.8 | 150.4 | 178.6 | 28.3 | -33.8 | 0 | 0 | 0 | 112 | ||||
| 494 | I | 32 | Very low | 34.5 | Very low | 167 Ų | 167 | 142.7 Ų | 142.7 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | -69.5 | 139.8 | -165.1 | -64.9 | 160.1 | 0 | 0 | 0 | 112.2 | ||||
| 495 | R | 27.7 | Very low | 33.7 | Very low | 237 Ų | 237 | 146.5 Ų | 146.5 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | trans | -106.5 | 121.2 | 169.2 | -165.5 | -172.6 | -156.3 | -175 | 5.4 | 107 | S497 | R495-S497 PolarHBondContact O-N 3.46Š| ||
| 496 | C | 27.7 | Very low | 32.8 | Very low | 124 Ų | 124 | 145 Ų | 145 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62 | 137.5 | 169.9 | -71.2 | 0 | 0 | 0 | 0 | 109.7 | ||
| 497 | S | 31.1 | Very low | 32 | Very low | 109 Ų | 109 | 148.7 Ų | 148.7 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 122.7 | -177.4 | 49.7 | 0 | 0 | 0 | 0 | 111.4 | R495 | R495-S497 PolarHBondContact O-N 3.46Š|
| 498 | D | 30.1 | Very low | 31.4 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 130.9 | 156.3 | -66 | -50.9 | 0 | 0 | 0 | 109 | ||
| 499 | A | 31.1 | Very low | 30.7 | Very low | 103 Ų | 103 | 141.8 Ų | 141.8 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | -107.4 | 116.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 500 | S | 30.8 | Very low | 30.3 | Very low | 114 Ų | 114 | 144.9 Ų | 144.9 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -90.4 | 133.1 | -177.8 | 56.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 501 | V | 28.8 | Very low | 30.1 | Very low | 148 Ų | 148 | 142.7 Ų | 142.7 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | -134.1 | 93.7 | 155.6 | -175 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 502 | N | 28.2 | Very low | 30.7 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | 13.9 | 152.9 | 143.5 | -138.4 | 6.9 | 0 | 0 | 0 | 123.7 | ||||
| 503 | N | 29.3 | Very low | 30.3 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 62% | 0.62 | 80% | 0.799 | S | S | * | * | trans | 94.3 | 95.3 | 149.8 | -65.6 | -32.7 | 0 | 0 | 0 | 122.6 | ||||
| 504 | H | 26.4 | Very low | 29.9 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 64% | 0.644 | 80% | 0.802 | S | S | * | * | 80.9 | 130 | 112.5 | -102.7 | -76.1 | 0 | 0 | 0 | 123.9 | |||||
| 505 | W | 25.9 | Very low | 30.9 | Very low | 209 Ų | 209 | 137.1 Ų | 137.1 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | trans | 94.2 | 124.9 | 149.7 | -62.6 | 121.1 | 0 | 0 | 0 | 123.2 | ||||
| 506 | T | 27.5 | Very low | 30.9 | Very low | 127 Ų | 127 | 133.1 Ų | 133.1 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | 70.6 | 126 | 141.8 | 51.1 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 507 | L | 26.9 | Very low | 30.9 | Very low | 161 Ų | 161 | 131.3 Ų | 131.3 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | -53.8 | 156.6 | 153.6 | -152.8 | 54 | 0 | 0 | 0 | 110.3 | ||||
| 508 | P | 37.8 | Very low | 30.8 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | cis | -151.5 | -175.5 | 41.4 | 43.8 | -21.4 | 0 | 0 | 0 | 120.4 | ||||
| 509 | S | 28 | Very low | 30.8 | Very low | 94 Ų | 94 | 130.6 Ų | 130.6 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | trans | -60.6 | 139.5 | 176.9 | -179.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 510 | N | 29 | Very low | 30.6 | Very low | 156 Ų | 156 | 131.1 Ų | 131.1 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | 162.8 | 144.5 | 122.9 | -83.2 | -12 | 0 | 0 | 0 | 113 | |||||
| 511 | G | 28.2 | Very low | 30.6 | Very low | 77 Ų | 77 | 130 Ų | 130 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | 109.8 | 126.4 | 155.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 512 | P | 48.2 | Very low | 31.1 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | trans | -101.5 | 153.7 | 175.6 | 37.9 | -32.3 | 0 | 0 | 0 | 113.5 | ||||
| 513 | C | 28.1 | Very low | 31.2 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 93% | 0.926 | 76% | 0.761 | S | S | * | * | trans | -168.5 | 142.4 | 150.7 | -97.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 514 | E | 26.2 | Very low | 31.3 | Very low | 180 Ų | 180 | 139 Ų | 139 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | trans | -85.9 | -176.3 | 163.2 | -92.3 | -169.2 | 129.4 | 0 | 0 | 110.8 | ||||
| 515 | P | 52.8 | Low | 31.5 | Very low | 102 Ų | 102 | 139.3 Ų | 139.3 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | cis | -135.2 | -151.6 | -45.3 | 39.3 | -20.9 | 0 | 0 | 0 | 111.4 | ||||
| 516 | L | 26.7 | Very low | 31.7 | Very low | 152 Ų | 152 | 135 Ų | 135 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | 98.3 | 109 | 152.7 | -121.9 | 79.7 | 0 | 0 | 0 | 121.9 | ||||
| 517 | S | 27.8 | Very low | 32 | Very low | 87 Ų | 87 | 134.4 Ų | 134.4 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | 61.9 | 133.8 | 124.3 | 68.9 | 0 | 0 | 0 | 0 | 126.4 | |||||
| 518 | T | 29 | Very low | 32 | Very low | 111 Ų | 111 | 133 Ų | 133 | 68% | 0.681 | 79% | 0.785 | S | S | * | * | trans | 78.3 | 111.9 | 133 | 50.3 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 519 | D | 29.4 | Very low | 31.7 | Very low | 152 Ų | 152 | 134.7 Ų | 134.7 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | 80.1 | 151.8 | 120.2 | -63.4 | -13.6 | 0 | 0 | 0 | 125.1 | |||||
| 520 | S | 28.6 | Very low | 31.8 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | 88.9 | 134 | 155.5 | -142.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 521 | S | 29.8 | Very low | 31.7 | Very low | 90 Ų | 90 | 138.8 Ų | 138.8 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | cis | -169 | 146.8 | -13.8 | 50.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 522 | L | 39.4 | Very low | 31.6 | Very low | 135 Ų | 135 | 139 Ų | 139 | 71% | 0.707 | 79% | 0.787 | S | S | * | * | trans | 46.6 | 125.1 | 137.1 | -61 | 169.6 | 0 | 0 | 0 | 122.5 | ||||
| 523 | Y | 29.4 | Very low | 30.4 | Very low | 243 Ų | 243 | 138.9 Ų | 138.9 | 95% | 0.953 | 79% | 0.789 | S | S | * | * | -145 | 165.8 | 122 | -100.3 | -65.5 | 0 | 0 | 0 | 112 | |||||
| 524 | R | 32.3 | Very low | 30.3 | Very low | 208 Ų | 208 | 140.4 Ų | 140.4 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | -163.1 | 87.6 | -128.1 | -175.9 | -156 | 165.6 | 174.6 | -5.3 | 116.7 | |||||
| 525 | T | 30.3 | Very low | 30.1 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | trans | -154.6 | 145.2 | 166.4 | 41.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 526 | S | 31.3 | Very low | 28.8 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | cis | -161.4 | 158.6 | -9.6 | 45.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 527 | S | 32 | Very low | 28.7 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -103 | 165.3 | -168.3 | 52.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 528 | C | 28.2 | Very low | 28.6 | Very low | 131 Ų | 131 | 144.2 Ų | 144.2 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | trans | -150.4 | 150.4 | 146.5 | -95.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 529 | L | 31.3 | Very low | 28.5 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 82% | 0.817 | 80% | 0.798 | S | S | * | * | trans | -147.3 | 168 | -175.2 | -132.9 | 73.2 | 0 | 0 | 0 | 106.7 | ||||
| 530 | E | 30.1 | Very low | 28.4 | Very low | 146 Ų | 146 | 141.6 Ų | 141.6 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | cis | -157.4 | 154.7 | 5.5 | -169.1 | -177.4 | 141.8 | 0 | 0 | 108.7 | ||||
| 531 | M | 26.7 | Very low | 28.4 | Very low | 191 Ų | 191 | 145.3 Ų | 145.3 | 94% | 0.941 | 80% | 0.799 | S | S | * | * | trans | -161.1 | 145.8 | 139.5 | -122.3 | -177.3 | -74.5 | 0 | 0 | 114.2 | ||||
| 532 | A | 26 | Very low | 28.2 | Very low | 82 Ų | 82 | 146.8 Ų | 146.8 | 68% | 0.678 | 81% | 0.809 | S | S | * | * | trans | -111.2 | 164 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 533 | S | 23.8 | Very low | 27.7 | Very low | 121 Ų | 121 | 150.1 Ų | 150.1 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | -154.2 | 124.5 | 145.6 | 52.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 534 | Q | 25.2 | Very low | 27.5 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | -82.4 | 157.5 | 167.4 | -66.9 | 168.5 | -81.9 | 0 | 0 | 110.2 | ||||
| 535 | L | 22.4 | Very low | 27.3 | Very low | 155 Ų | 155 | 137.2 Ų | 137.2 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | trans | -155.7 | 118.9 | 133.9 | -115.1 | 155.2 | 0 | 0 | 0 | 110.9 | F537 | L535-F537 HydrophobicContact CD2-CD2 3.89Å; L535-F537 HydrophobicContact CD2-CE2 3.86Å | ||
| 536 | Q | 25.9 | Very low | 27.2 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | trans | -107.6 | 146.3 | 166.5 | -76.3 | 177.6 | -65.4 | 0 | 0 | 109.1 | ||||
| 537 | F | 24.2 | Very low | 27 | Very low | 188 Ų | 188 | 134.4 Ų | 134.4 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -152.2 | 145.2 | 149.5 | -88.8 | -88.3 | 0 | 0 | 0 | 107.6 | L535 | L535-F537 HydrophobicContact CD2-CD2 3.89Å; L535-F537 HydrophobicContact CD2-CE2 3.86Å | ||
| 538 | S | 25.9 | Very low | 26.9 | Very low | 94 Ų | 94 | 138.2 Ų | 138.2 | 66% | 0.657 | 81% | 0.809 | S | S | * | * | cis | -179.1 | 139.3 | -27.5 | 49.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 539 | A | 26.4 | Very low | 27 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | 56.7 | 162.7 | 149.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 540 | S | 27.3 | Very low | 27.2 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | cis | -150.6 | 129.3 | 2.5 | 46.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 541 | Q | 27.6 | Very low | 27.7 | Very low | 192 Ų | 192 | 132.1 Ų | 132.1 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | 37.6 | 124.7 | 90.9 | -81 | -167 | -3.6 | 0 | 0 | 118.1 | |||||
| 542 | S | 26.7 | Very low | 28.1 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | -164.5 | 157.2 | 111.4 | 68.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 543 | Q | 28.1 | Very low | 28.3 | Very low | 204 Ų | 204 | 131.2 Ų | 131.2 | 95% | 0.953 | 81% | 0.814 | S | S | * | * | trans | -117.8 | 166.9 | -178.3 | -67.7 | 173.2 | -30.8 | 0 | 0 | 111.6 | ||||
| 544 | G | 26.1 | Very low | 29.4 | Very low | 78 Ų | 78 | 130.7 Ų | 130.7 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | 149 | 141.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 545 | A | 27.9 | Very low | 29.6 | Very low | 103 Ų | 103 | 127.1 Ų | 127.1 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | cis | -157.3 | 178.4 | -9.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 546 | A | 27.1 | Very low | 30.1 | Very low | 90 Ų | 90 | 126.6 Ų | 126.6 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | trans | -41.6 | 165.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 547 | T | 28.7 | Very low | 30.2 | Very low | 115 Ų | 115 | 122 Ų | 122 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | cis | -167.3 | 158.6 | 43.8 | -47.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 548 | E | 29.2 | Very low | 30.6 | Very low | 194 Ų | 194 | 118.2 Ų | 118.2 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | trans | 72.8 | 138.1 | 153.9 | -98.8 | 162 | -147.9 | 0 | 0 | 122.6 | ||||
| 549 | G | 29.9 | Very low | 30.9 | Very low | 82 Ų | 82 | 119.2 Ų | 119.2 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | 125.7 | 69.1 | 159.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 550 | A | 35 | Very low | 31.2 | Very low | 90 Ų | 90 | 119.8 Ų | 119.8 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | trans | -107.1 | 158.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 551 | P | 42.4 | Very low | 31.5 | Very low | 133 Ų | 133 | 120.1 Ų | 120.1 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | -140.8 | 166.2 | 86.1 | 36.9 | -21.5 | 0 | 0 | 0 | 116.2 | |||||
| 552 | T | 33.2 | Very low | 31.5 | Very low | 129 Ų | 129 | 118.8 Ų | 118.8 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | -90.3 | 157.9 | -175.6 | 48.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 553 | S | 32 | Very low | 31.9 | Very low | 124 Ų | 124 | 117.7 Ų | 117.7 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | trans | -121.8 | 134.9 | 157.8 | -66.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 554 | P | 45.9 | Very low | 32 | Very low | 110 Ų | 110 | 114 Ų | 114 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | trans | -113.5 | 151.5 | -169.8 | 41.9 | -35.4 | 0 | 0 | 0 | 116.4 | ||||
| 555 | S | 29.9 | Very low | 32.4 | Very low | 95 Ų | 95 | 117.5 Ų | 117.5 | 66% | 0.664 | 79% | 0.79 | S | S | * | * | trans | 41.1 | 130.3 | 137.2 | 70.2 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 556 | T | 32.3 | Very low | 32.6 | Very low | 145 Ų | 145 | 121.7 Ų | 121.7 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | 60.1 | 142.1 | 137.8 | 46.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 557 | G | 28.2 | Very low | 32.8 | Very low | 68 Ų | 68 | 124.1 Ų | 124.1 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | 143 | 75.8 | 142.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 558 | S | 31.7 | Very low | 33 | Very low | 107 Ų | 107 | 124 Ų | 124 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | 25.6 | 130.3 | 138.3 | 58.4 | 0 | 0 | 0 | 0 | 124 | ||||
| 559 | S | 33.8 | Very low | 33 | Very low | 116 Ų | 116 | 124.4 Ų | 124.4 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | trans | 65.8 | 154.1 | 138.2 | 65.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 560 | S | 32.3 | Very low | 32.9 | Very low | 113 Ų | 113 | 128 Ų | 128 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | cis | -150.4 | 163.2 | 10.1 | 50.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 561 | S | 34.1 | Very low | 32.8 | Very low | 112 Ų | 112 | 131.5 Ų | 131.5 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | -59.1 | 168.9 | 173.1 | 50.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 562 | N | 26.2 | Very low | 33 | Very low | 165 Ų | 165 | 129.8 Ų | 129.8 | 88% | 0.882 | 76% | 0.76 | S | S | * | * | trans | -138 | 157.3 | 148.5 | -139.6 | -3.2 | 0 | 0 | 0 | 111.9 | ||||
| 563 | S | 35.4 | Very low | 32.8 | Very low | 99 Ų | 99 | 131 Ų | 131 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | trans | -131.6 | 170 | -153.5 | 56.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 564 | S | 30.4 | Very low | 32.6 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 88% | 0.881 | 76% | 0.755 | S | S | * | * | trans | -169.3 | 158.2 | 143.7 | -83.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 565 | E | 34.6 | Very low | 31.8 | Very low | 151 Ų | 151 | 132.1 Ų | 132.1 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | -124.2 | 160.1 | -163.5 | -74.9 | -163.7 | 104.7 | 0 | 0 | 115.5 | ||||
| 566 | R | 32.9 | Very low | 31.6 | Very low | 192 Ų | 192 | 132.2 Ų | 132.2 | 73% | 0.725 | 76% | 0.762 | S | S | * | * | trans | 53.8 | 160.2 | 139.8 | -69 | 176.5 | -160.8 | -140.8 | 1.7 | 120.3 | ||||
| 567 | H | 30.7 | Very low | 31.4 | Very low | 141 Ų | 141 | 132 Ų | 132 | 65% | 0.653 | 76% | 0.755 | S | S | * | * | cis | -160 | 153.1 | 17.2 | -138.7 | 14.4 | 0 | 0 | 0 | 113 | ||||
| 568 | T | 33.3 | Very low | 31.5 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | trans | 38.6 | 140.1 | 151.6 | 53.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 569 | R | 29.7 | Very low | 31.3 | Very low | 203 Ų | 203 | 134.6 Ų | 134.6 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | -179.9 | 156.6 | 61.9 | -154.8 | 177.7 | 173.7 | 123.7 | 0.8 | 113.2 | |||||
| 570 | E | 26.6 | Very low | 31 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 73% | 0.729 | 76% | 0.756 | S | S | * | * | trans | 70.5 | 146.1 | 154.2 | -87.2 | 149.6 | -152.5 | 0 | 0 | 124.3 | ||||
| 571 | L | 32.8 | Very low | 31 | Very low | 164 Ų | 164 | 137 Ų | 137 | 86% | 0.859 | 76% | 0.758 | S | S | * | * | trans | -115.8 | -179 | 174.3 | -127.5 | 95.6 | 0 | 0 | 0 | 107 | ||||
| 572 | P | 46.2 | Very low | 30.8 | Very low | 97 Ų | 97 | 138 Ų | 138 | 63% | 0.63 | 75% | 0.754 | S | S | * | * | cis | -142.9 | -177.4 | 11.9 | 43 | -22.7 | 0 | 0 | 0 | 117.8 | ||||
| 573 | Q | 29.6 | Very low | 31.5 | Very low | 155 Ų | 155 | 135.4 Ų | 135.4 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | trans | 93.4 | 139.9 | 134.5 | -151.1 | 165 | -33.1 | 0 | 0 | 123.4 | ||||
| 574 | E | 28.4 | Very low | 31.2 | Very low | 177 Ų | 177 | 138.7 Ų | 138.7 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | trans | 75.5 | 148.9 | 154.5 | -102.7 | 168 | 108.7 | 0 | 0 | 122.9 | ||||
| 575 | G | 28 | Very low | 31.1 | Very low | 80 Ų | 80 | 144.3 Ų | 144.3 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | 132.3 | 100.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 576 | S | 27 | Very low | 30.9 | Very low | 98 Ų | 98 | 144.9 Ų | 144.9 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | trans | -91.1 | 177.3 | 174.9 | 52.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 577 | N | 28 | Very low | 30.6 | Very low | 141 Ų | 141 | 145.4 Ų | 145.4 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | 94.8 | 118.1 | 164.3 | -50.8 | -40.7 | 0 | 0 | 0 | 115.6 | ||||
| 578 | V | 29.7 | Very low | 30.6 | Very low | 139 Ų | 139 | 147.2 Ų | 147.2 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | 97 | 141 | 54.5 | 162.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 579 | A | 27.9 | Very low | 30.7 | Very low | 89 Ų | 89 | 146.6 Ų | 146.6 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | 87.5 | 101.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 580 | S | 28.3 | Very low | 30.8 | Very low | 99 Ų | 99 | 145.6 Ų | 145.6 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | 18.1 | 125.3 | 119.4 | 167.3 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 581 | H | 30.5 | Very low | 31 | Very low | 182 Ų | 182 | 141.4 Ų | 141.4 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | -166.3 | 133.4 | 120.6 | -106.8 | -72.9 | 0 | 0 | 0 | 113 | |||||
| 582 | N | 31 | Very low | 31.4 | Very low | 132 Ų | 132 | 139 Ų | 139 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -88.2 | 144.4 | 157.9 | -170.4 | 10.5 | 0 | 0 | 0 | 107.4 | Q584 | N582-Q584 PolarHBondContact OD1-N 3.03Š| ||
| 583 | P | 39.8 | Very low | 30.7 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | -150 | 128.9 | 98.6 | 34.7 | -15.3 | 0 | 0 | 0 | 116.5 | |||||
| 584 | Q | 29.4 | Very low | 31.1 | Very low | 168 Ų | 168 | 135.7 Ų | 135.7 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | 42.1 | 110.3 | 121.6 | -160.5 | 171.1 | 5.6 | 0 | 0 | 119.2 | N582 | N582-Q584 PolarHBondContact OD1-N 3.03Š| |||
| 585 | R | 29.5 | Very low | 31.6 | Very low | 243 Ų | 243 | 135.3 Ų | 135.3 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | trans | -134.5 | 129.3 | 156.3 | -84.6 | -171.4 | 177.4 | 175.8 | 0.6 | 111.9 | ||||
| 586 | H | 29.2 | Very low | 32.2 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -69.9 | 155.8 | 156.2 | -100.3 | 34.8 | 0 | 0 | 0 | 110 | ||||
| 587 | Y | 27.9 | Very low | 32.8 | Very low | 204 Ų | 204 | 139.2 Ų | 139.2 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | -176.6 | 129.7 | 121.1 | -95.8 | -62.6 | 0 | 0 | 0 | 113.6 | |||||
| 588 | Q | 30.3 | Very low | 33.4 | Very low | 178 Ų | 178 | 137.6 Ų | 137.6 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | 57.4 | 142.5 | 142.9 | -85 | 161.6 | -30.9 | 0 | 0 | 123.9 | ||||
| 589 | A | 34 | Very low | 33.9 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -95.9 | 155.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 590 | L | 33.5 | Very low | 34.6 | Very low | 183 Ų | 183 | 138 Ų | 138 | 96% | 0.958 | 76% | 0.756 | S | S | * | * | trans | -134.6 | 141.6 | 166.7 | -102 | 147.9 | 0 | 0 | 0 | 107.4 | ||||
| 591 | G | 31 | Very low | 35.5 | Very low | 67 Ų | 67 | 135.6 Ų | 135.6 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | trans | -126.7 | -169.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 592 | A | 39.9 | Very low | 36.6 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 94% | 0.942 | 72% | 0.718 | S | S | * | * | trans | 63.8 | 60.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 593 | A | 32.9 | Very low | 37.7 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 84% | 0.835 | 72% | 0.717 | S | S | * | * | trans | -141.2 | 9.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 594 | S | 37.2 | Very low | 38.5 | Very low | 81 Ų | 81 | 129.1 Ų | 129.1 | 57% | 0.566 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -110.4 | -13.4 | -165.3 | -162.5 | 0 | 0 | 0 | 0 | 115.9 | ||
| 595 | Q | 38.3 | Very low | 40.1 | Very low | 170 Ų | 170 | 126.2 Ų | 126.2 | 79% | 0.794 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -85.2 | -19.2 | -171.8 | -82.8 | 177.5 | -28.1 | 0 | 0 | 114.9 | N599 | Q595-N599 PolarHBondContact O-ND2 3.25Š|
| 596 | E | 40.7 | Very low | 41.6 | Very low | 175 Ų | 175 | 122.9 Ų | 122.9 | 82% | 0.818 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -86.6 | -28.6 | -173.3 | -157 | 155 | -163.1 | 0 | 0 | 112.9 | ||
| 597 | S | 39.6 | Very low | 43.4 | Very low | 84 Ų | 84 | 118.5 Ų | 118.5 | 59% | 0.587 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -74.2 | -24.6 | 176 | 54.5 | 0 | 0 | 0 | 0 | 114.2 | ||
| 598 | L | 40.4 | Very low | 45.4 | Very low | 107 Ų | 107 | 113.1 Ų | 113.1 | 56% | 0.56 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -80.3 | -24.7 | 179.5 | -81 | 164.9 | 0 | 0 | 0 | 113.7 | S601 T602 | L598-S601 PolarHBondContact O-OG 3.44Å; L598-T602 WeakPolarHBondContact O-CG2 2.94Å |
| 599 | N | 40.5 | Very low | 47.2 | Very low | 110 Ų | 110 | 110.5 Ų | 110.5 | 59% | 0.588 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -75.5 | -41.1 | 178.9 | -71.6 | -31.6 | 0 | 0 | 0 | 111.3 | Q595 S601 T602 E603 | Q595-N599 PolarHBondContact O-ND2 3.25Å; N599-S601 PolarHBondContact O-N 3.3Å; N599-T602 PolarHBondContact O-N 3.32Å; N599-T602 PolarHBondContact O-OG1 3.45Å; N599-E603 PolarHBondContact O-N 3.37Å |
| 600 | L | 43.9 | Very low | 49.1 | Very low | 126 Ų | 126 | 112.4 Ų | 112.4 | 66% | 0.66 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64.4 | -36.1 | -176.9 | -162.5 | 70.7 | 0 | 0 | 0 | 113 | T604 | L600-T604 PolarHBondContact O-N 3.4Å; L600-T604 PolarHBondContact O-OG1 3.4Å |
| 601 | S | 45.8 | Very low | 51.1 | Low | 49 Ų | 49 | 110.2 Ų | 110.2 | 34% | 0.343 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -70.9 | -38.1 | 177.6 | 52.3 | 0 | 0 | 0 | 0 | 113.2 | L598 N599 E603 T604 D605 | L598-S601 PolarHBondContact O-OG 3.44Å; N599-S601 PolarHBondContact O-N 3.3Å; S601-E603 VanDerWaalsContact C-N 3.26Å; S601-E603 PolarHBondContact O-N 2.87Å; S601-T604 PolarHBondContact O-N 3.26Å; S601-T604 PolarHBondContact O-OG1 2.89Å; S601-D605 PolarHBondContact O-N 2.98Å |
| 602 | T | 53.6 | Low | 53.3 | Low | 67 Ų | 67 | 113.9 Ų | 113.9 | 41% | 0.411 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -70.6 | -20.4 | -179.9 | 61.2 | 0 | 0 | 0 | 0 | 114 | L598 N599 R606 | L598-T602 WeakPolarHBondContact O-CG2 2.94Å; N599-T602 PolarHBondContact O-N 3.32Å; N599-T602 PolarHBondContact O-OG1 3.45Å; T602-R606 WeakPolarHBondContact O-CG 3.34Å; T602-R606 PolarHBondContact O-N 2.91Å |
| 603 | E | 55.1 | Low | 55.2 | Low | 144 Ų | 144 | 112.1 Ų | 112.1 | 67% | 0.673 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -82.7 | -36 | 175.9 | -160.4 | 157.7 | -142.3 | 0 | 0 | 111.5 | N599 S601 R606 S607 | N599-E603 PolarHBondContact O-N 3.37Å; S601-E603 VanDerWaalsContact C-N 3.26Å; S601-E603 PolarHBondContact O-N 2.87Å; E603-R606 PolarHBondContact O-N 3.02Å; E603-S607 PolarHBondContact O-N 3.36Å |
| 604 | T | 56.9 | Low | 57.5 | Low | 78 Ų | 78 | 111.3 Ų | 111.3 | 48% | 0.479 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.1 | -38.4 | 171.3 | 46.2 | 0 | 0 | 0 | 0 | 113.5 | L600 S601 R606 S607 V608 | L600-T604 PolarHBondContact O-N 3.4Å; L600-T604 PolarHBondContact O-OG1 3.4Å; S601-T604 PolarHBondContact O-N 3.26Å; S601-T604 PolarHBondContact O-OG1 2.89Å; T604-R606 VanDerWaalsContact C-N 3.26Å; T604-R606 PolarHBondContact O-N 3.13Å; T604-S607 PolarHBondContact O-N 3.02Å; T604-S607 PolarHBondContact O-OG 3.07Å; T604-V608 WeakPolarHBondContact O-CG2 3.43Å; T604-V608 PolarHBondContact O-N 3.34Å |
| 605 | D | 61.1 | Low | 59.4 | Low | 108 Ų | 108 | 110.9 Ų | 110.9 | 58% | 0.578 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.9 | -34.4 | 176.4 | -76.4 | -14 | 0 | 0 | 0 | 111.5 | S601 Q609 | S601-D605 PolarHBondContact O-N 2.98Å; D605-Q609 VanDerWaalsContact O-CB 3.32Å; D605-Q609 WeakPolarHBondContact O-CB 3.43Å; D605-Q609 PolarHBondContact O-N 2.91Å |
| 606 | R | 62.7 | Low | 61 | Low | 173 Ų | 173 | 104.9 Ų | 104.9 | 65% | 0.653 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69.3 | -39.6 | 176.3 | -81.6 | 178.9 | 168.1 | 144.9 | 0.5 | 113.2 | T602 E603 T604 Q610 | T602-R606 WeakPolarHBondContact O-CG 3.34Å; T602-R606 PolarHBondContact O-N 2.91Å; E603-R606 PolarHBondContact O-N 3.02Å; T604-R606 VanDerWaalsContact C-N 3.26Å; T604-R606 PolarHBondContact O-N 3.13Å; R606-Q610 VanDerWaalsContact O-CB 3.31Å; R606-Q610 WeakPolarHBondContact O-CB 3.45Å; R606-Q610 PolarHBondContact O-N 3.48Å |
| 607 | S | 66.8 | Low | 62.6 | Low | 70 Ų | 70 | 105.1 Ų | 105.1 | 49% | 0.49 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.1 | -44.1 | 177.5 | 61.9 | 0 | 0 | 0 | 0 | 111.6 | E603 T604 Q609 Q610 E611 | E603-S607 PolarHBondContact O-N 3.36Å; T604-S607 PolarHBondContact O-N 3.02Å; T604-S607 PolarHBondContact O-OG 3.07Å; S607-Q609 PolarHBondContact O-N 3.47Å; S607-Q610 PolarHBondContact O-N 3.49Å; S607-E611 PolarHBondContact O-N 2.92Å |
| 608 | V | 69.3 | Low | 64.2 | Low | 92 Ų | 92 | 107 Ų | 107 | 56% | 0.558 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.3 | -43.6 | 176.1 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | T604 Q610 E611 F612 | T604-V608 WeakPolarHBondContact O-CG2 3.43Å; T604-V608 PolarHBondContact O-N 3.34Å; V608-Q610 VanDerWaalsContact C-N 3.28Å; V608-Q610 PolarHBondContact O-N 3.33Å; V608-E611 PolarHBondContact O-N 3.18Å; V608-F612 PolarHBondContact O-N 3.25Å |
| 609 | Q | 68.3 | Low | 65.4 | Low | 123 Ų | 123 | 108 Ų | 108 | 58% | 0.575 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.2 | -35.6 | 176.8 | -172 | 173.8 | 10.7 | 0 | 0 | 112.2 | D605 S607 I613 | D605-Q609 VanDerWaalsContact O-CB 3.32Å; D605-Q609 WeakPolarHBondContact O-CB 3.43Å; D605-Q609 PolarHBondContact O-N 2.91Å; S607-Q609 PolarHBondContact O-N 3.47Å; Q609-I613 HydrophobicContact CG-CD1 4.22Å; Q609-I613 WeakPolarHBondContact O-CD1 3.47Å; Q609-I613 VanDerWaalsContact O-CG1 3.29Å; Q609-I613 WeakPolarHBondContact O-CG1 3.42Å; Q609-I613 PolarHBondContact O-N 2.95Å; Q609-I613 VanDerWaalsContact O-N 3.1Å |
| 610 | Q | 73.8 | Confident | 66.7 | Low | 138 Ų | 138 | 107.9 Ų | 107.9 | 65% | 0.645 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -77.2 | -31.7 | -179.3 | -163.8 | 155.1 | -23.1 | 0 | 0 | 112.5 | R606 S607 V608 T614 | R606-Q610 VanDerWaalsContact O-CB 3.31Å; R606-Q610 WeakPolarHBondContact O-CB 3.45Å; R606-Q610 PolarHBondContact O-N 3.48Å; S607-Q610 PolarHBondContact O-N 3.49Å; V608-Q610 VanDerWaalsContact C-N 3.28Å; V608-Q610 PolarHBondContact O-N 3.33Å; Q610-T614 PolarHBondContact O-N 3.17Å; Q610-T614 PolarHBondContact O-OG1 3.38Å |
| 611 | E | 75.7 | Confident | 67.7 | Low | 137 Ų | 137 | 105.4 Ų | 105.4 | 64% | 0.64 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.8 | -46.5 | 168.9 | -168.8 | 168.7 | -157.6 | 0 | 0 | 111.1 | S607 V608 I613 T614 V615 | S607-E611 PolarHBondContact O-N 2.92Å; V608-E611 PolarHBondContact O-N 3.18Å; E611-I613 PolarHBondContact O-N 2.91Å; E611-T614 WeakPolarHBondContact O-CA 3.36Å; E611-T614 WeakPolarHBondContact O-CB 3.28Å; E611-T614 PolarHBondContact O-N 2.98Å; E611-V615 PolarHBondContact O-N 3.36Å |
| 612 | F | 77.4 | Confident | 68.3 | Low | 144 Ų | 144 | 109.1 Ų | 109.1 | 63% | 0.632 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -58 | -45.9 | 175.9 | -174.7 | -98 | 0 | 0 | 0 | 112.9 | V608 T614 V615 C616 | V608-F612 PolarHBondContact O-N 3.25Å; F612-T614 PolarHBondContact O-N 3.22Å; F612-V615 PolarHBondContact O-N 3.35Å; F612-C616 PolarHBondContact O-N 2.96Å; F612-C616 PolarHBondContact O-SG 3.44Å; F612-C616 VanDerWaalsContact O-SG 3.41Å |
| 613 | I | 80.4 | Confident | 68.1 | Low | 78 Ų | 78 | 110.3 Ų | 110.3 | 40% | 0.4 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.4 | -32.8 | 175.6 | -70.8 | 165.2 | 0 | 0 | 0 | 111.7 | Q609 E611 R617 | Q609-I613 HydrophobicContact CG-CD1 4.22Å; Q609-I613 WeakPolarHBondContact O-CD1 3.47Å; Q609-I613 VanDerWaalsContact O-CG1 3.29Å; Q609-I613 WeakPolarHBondContact O-CG1 3.42Å; Q609-I613 PolarHBondContact O-N 2.95Å; Q609-I613 VanDerWaalsContact O-N 3.1Å; E611-I613 PolarHBondContact O-N 2.91Å; I613-R617 PolarHBondContact O-N 3.03Å; I613-R617 VanDerWaalsContact O-N 3.17Å |
| 614 | T | 81.3 | Confident | 68 | Low | 83 Ų | 83 | 110.3 Ų | 110.3 | 51% | 0.509 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -72.1 | -41.7 | 178.3 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | Q610 E611 F612 R617 Q618 | Q610-T614 PolarHBondContact O-N 3.17Å; Q610-T614 PolarHBondContact O-OG1 3.38Å; E611-T614 WeakPolarHBondContact O-CA 3.36Å; E611-T614 WeakPolarHBondContact O-CB 3.28Å; E611-T614 PolarHBondContact O-N 2.98Å; F612-T614 PolarHBondContact O-N 3.22Å; T614-R617 PolarHBondContact O-N 3.12Å; T614-Q618 PolarHBondContact O-N 3.48Å |
| 615 | V | 75.8 | Confident | 67.7 | Low | 73 Ų | 73 | 112.3 Ų | 112.3 | 44% | 0.442 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.2 | -44.4 | 173.8 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | E611 F612 R617 Q618 M619 | E611-V615 PolarHBondContact O-N 3.36Å; F612-V615 PolarHBondContact O-N 3.35Å; V615-R617 PolarHBondContact O-N 3.44Å; V615-Q618 WeakPolarHBondContact O-CB 3.37Å; V615-Q618 PolarHBondContact O-N 2.77Å; V615-Q618 VanDerWaalsContact O-N 3.14Å; V615-M619 PolarHBondContact O-N 3.41Å |
| 616 | C | 72.3 | Confident | 67 | Low | 44 Ų | 44 | 112.2 Ų | 112.2 | 30% | 0.297 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -59.5 | -45.1 | 176.4 | -66.9 | 0 | 0 | 0 | 0 | 112.2 | F612 Q618 M619 D620 | F612-C616 PolarHBondContact O-N 2.96Å; F612-C616 PolarHBondContact O-SG 3.44Å; F612-C616 VanDerWaalsContact O-SG 3.41Å; C616-Q618 VanDerWaalsContact C-N 3.27Å; C616-Q618 PolarHBondContact O-N 3.12Å; C616-M619 PolarHBondContact O-N 3.41Å; C616-M619 VanDerWaalsContact O-N 3.17Å; C616-D620 PolarHBondContact O-N 3.24Å |
| 617 | R | 74.3 | Confident | 66.4 | Low | 180 Ų | 180 | 112.9 Ų | 112.9 | 68% | 0.679 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62 | -33.7 | 175.3 | -80.2 | -179.1 | 171.1 | 160.1 | -0.7 | 113.3 | I613 T614 V615 S621 | I613-R617 PolarHBondContact O-N 3.03Å; I613-R617 VanDerWaalsContact O-N 3.17Å; T614-R617 PolarHBondContact O-N 3.12Å; V615-R617 PolarHBondContact O-N 3.44Å; R617-S621 PolarHBondContact O-N 3.14Å; R617-S621 PolarHBondContact O-OG 3.1Å |
| 618 | Q | 73.6 | Confident | 65.3 | Low | 123 Ų | 123 | 115.8 Ų | 115.8 | 58% | 0.575 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.3 | -38.4 | 176.1 | -171.3 | 172.4 | -10.7 | 0 | 0 | 111.3 | T614 V615 C616 S621 L622 | T614-Q618 PolarHBondContact O-N 3.48Å; V615-Q618 WeakPolarHBondContact O-CB 3.37Å; V615-Q618 PolarHBondContact O-N 2.77Å; V615-Q618 VanDerWaalsContact O-N 3.14Å; C616-Q618 VanDerWaalsContact C-N 3.27Å; C616-Q618 PolarHBondContact O-N 3.12Å; Q618-S621 PolarHBondContact O-N 3.32Å; Q618-S621 PolarHBondContact O-OG 3.02Å; Q618-L622 WeakPolarHBondContact O-CG 3.26Å; Q618-L622 PolarHBondContact O-N 3.12Å |
| 619 | M | 66.1 | Low | 64.1 | Low | 129 Ų | 129 | 118.4 Ų | 118.4 | 64% | 0.635 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64.5 | -44.7 | 171.9 | -69 | 177.9 | 60 | 0 | 0 | 112.3 | V615 C616 S621 L622 S623 | V615-M619 PolarHBondContact O-N 3.41Å; C616-M619 PolarHBondContact O-N 3.41Å; C616-M619 VanDerWaalsContact O-N 3.17Å; M619-S621 VanDerWaalsContact C-N 3.31Å; M619-S621 PolarHBondContact O-N 3.04Å; M619-L622 PolarHBondContact O-N 3.27Å; M619-L622 VanDerWaalsContact O-N 3.15Å; M619-S623 PolarHBondContact O-N 3.19Å; M619-S623 VanDerWaalsContact O-N 3.1Å |
| 620 | D | 65.9 | Low | 62.9 | Low | 106 Ų | 106 | 119.9 Ų | 119.9 | 57% | 0.567 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -61.4 | -38.7 | 177.1 | -71.9 | -25.9 | 0 | 0 | 0 | 112.1 | C616 L622 S623 | C616-D620 PolarHBondContact O-N 3.24Å; D620-L622 VanDerWaalsContact C-N 3.31Å; D620-L622 PolarHBondContact O-N 3.18Å; D620-S623 WeakPolarHBondContact O-CB 3.49Å; D620-S623 PolarHBondContact O-N 3.32Å |
| 621 | S | 66.2 | Low | 61.2 | Low | 74 Ų | 74 | 124.5 Ų | 124.5 | 52% | 0.517 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -67.8 | -27.2 | 176.4 | 70.3 | 0 | 0 | 0 | 0 | 114.1 | R617 Q618 M619 | R617-S621 PolarHBondContact O-N 3.14Å; R617-S621 PolarHBondContact O-OG 3.1Å; Q618-S621 PolarHBondContact O-N 3.32Å; Q618-S621 PolarHBondContact O-OG 3.02Å; M619-S621 VanDerWaalsContact C-N 3.31Å; M619-S621 PolarHBondContact O-N 3.04Å |
| 622 | L | 57.1 | Low | 60.5 | Low | 128 Ų | 128 | 123.9 Ų | 123.9 | 67% | 0.67 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -81.1 | -21 | 174.4 | -69.8 | 168.4 | 0 | 0 | 0 | 112.4 | Q618 M619 D620 I624 | Q618-L622 WeakPolarHBondContact O-CG 3.26Å; Q618-L622 PolarHBondContact O-N 3.12Å; M619-L622 PolarHBondContact O-N 3.27Å; M619-L622 VanDerWaalsContact O-N 3.15Å; D620-L622 VanDerWaalsContact C-N 3.31Å; D620-L622 PolarHBondContact O-N 3.18Å; L622-I624 VanDerWaalsContact C-N 3.33Å; L622-I624 PolarHBondContact O-N 3.45Å |
| 623 | S | 51.3 | Low | 59.6 | Low | 91 Ų | 91 | 122.8 Ų | 122.8 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -74.7 | -18.5 | -178.8 | -161.8 | 0 | 0 | 0 | 0 | 113.9 | M619 D620 C625 | M619-S623 PolarHBondContact O-N 3.19Å; M619-S623 VanDerWaalsContact O-N 3.1Å; D620-S623 WeakPolarHBondContact O-CB 3.49Å; D620-S623 PolarHBondContact O-N 3.32Å; S623-C625 VanDerWaalsContact C-N 3.31Å; S623-C625 PolarHBondContact O-N 3.05Å |
| 624 | I | 51.5 | Low | 58.5 | Low | 145 Ų | 145 | 125.3 Ų | 125.3 | 74% | 0.744 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -9.6 | -174.6 | -67.5 | 171.4 | 0 | 0 | 0 | 112.9 | L622 S626 | L622-I624 VanDerWaalsContact C-N 3.33Å; L622-I624 PolarHBondContact O-N 3.45Å; I624-S626 PolarHBondContact O-N 3.48Å |
| 625 | C | 50.5 | Low | 57.1 | Low | 119 Ų | 119 | 127.8 Ų | 127.8 | 80% | 0.804 | 69% | 0.694 | S | S | * | * | trans | -101.5 | 66.5 | 176.9 | -66.7 | 0 | 0 | 0 | 0 | 112.1 | S623 | S623-C625 VanDerWaalsContact C-N 3.31Å; S623-C625 PolarHBondContact O-N 3.05Å | ||
| 626 | S | 46.2 | Very low | 56 | Low | 107 Ų | 107 | 131.3 Ų | 131.3 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | trans | -124.1 | 105.5 | 165.9 | -148.3 | 0 | 0 | 0 | 0 | 109.7 | I624 | I624-S626 PolarHBondContact O-N 3.48Š| ||
| 627 | E | 50.7 | Low | 54.9 | Low | 186 Ų | 186 | 137.1 Ų | 137.1 | 87% | 0.869 | 74% | 0.737 | S | S | * | * | trans | -71.6 | 126.3 | -171.7 | -161.9 | 165.8 | -159.8 | 0 | 0 | 110.6 | I629 | E627-I629 PolarHBondContact O-N 3.26Š| ||
| 628 | T | 43.7 | Very low | 53.5 | Low | 131 Ų | 131 | 134 Ų | 134 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | -72.9 | 113.5 | -175.3 | -24.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 629 | I | 43.6 | Very low | 51.9 | Low | 148 Ų | 148 | 134.8 Ų | 134.8 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | -89.2 | 108.3 | 169.9 | -62.5 | 175.9 | 0 | 0 | 0 | 108.1 | E627 | E627-I629 PolarHBondContact O-N 3.26Š| ||
| 630 | D | 43.8 | Very low | 50.8 | Low | 154 Ų | 154 | 135.3 Ų | 135.3 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | trans | -70.6 | 127.3 | 166.7 | -84.1 | -33.4 | 0 | 0 | 0 | 110.3 | ||||
| 631 | L | 38.5 | Very low | 49.4 | Very low | 235 Ų | 235 | 138 Ų | 138 | 100% | 1.23 | 78% | 0.782 | S | S | * | * | trans | -156 | 0 | 164.4 | -110.6 | 169.3 | 0 | 0 | 0 | 111.2 |
Retrieved 631 of 631 residues in 119.9 ms
(Link to these results)