| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.3 | Very low | 43.9 | Very low | 240 Ų | 240 | 157.7 Ų | 157.7 | 100% | 1.182 | 83% | 0.827 | S | S | * | * | 0 | 109.7 | 0 | -82 | 173.2 | 145.5 | 0 | 0 | 107.7 | |||||
| 2 | Y | 38.8 | Very low | 44 | Very low | 240 Ų | 240 | 165.3 Ų | 165.3 | 94% | 0.941 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 126.5 | 178.3 | -93.8 | -95.7 | 0 | 0 | 0 | 109.7 | ||
| 3 | P | 48.7 | Very low | 44.1 | Very low | 122 Ų | 122 | 160.5 Ų | 160.5 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 125.9 | 162.4 | 7.4 | 11.4 | 0 | 0 | 0 | 110.1 | ||
| 4 | N | 38.6 | Very low | 44.3 | Very low | 157 Ų | 157 | 156.7 Ų | 156.7 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 146.5 | 178.1 | -150.4 | 13.9 | 0 | 0 | 0 | 110.8 | ||
| 5 | P | 54.5 | Low | 44.4 | Very low | 105 Ų | 105 | 161.3 Ų | 161.3 | 68% | 0.682 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -85 | 141.9 | -178.1 | 28.1 | -18.5 | 0 | 0 | 0 | 112.4 | I7 | P5-I7 PolarHBondContact O-N 3.13Š|
| 6 | L | 45.2 | Very low | 44.6 | Very low | 169 Ų | 169 | 158.9 Ų | 158.9 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 120.9 | 172.7 | -70.7 | 156.4 | 0 | 0 | 0 | 110.7 | Y8 | L6-Y8 PolarHBondContact O-N 2.68Š|
| 7 | I | 44.6 | Very low | 44.9 | Very low | 169 Ų | 169 | 158.2 Ų | 158.2 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | trans | -77.7 | 103.6 | 168.3 | -61.6 | 174.7 | 0 | 0 | 0 | 107.7 | P5 | P5-I7 PolarHBondContact O-N 3.13Š| ||
| 8 | Y | 42.6 | Very low | 45.2 | Very low | 214 Ų | 214 | 152.5 Ų | 152.5 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | -79 | 117 | 165.8 | -122.5 | -97 | 0 | 0 | 0 | 108.3 | L6 T10 | L6-Y8 PolarHBondContact O-N 2.68Å; Y8-T10 PolarHBondContact O-N 3.32Å | ||
| 9 | C | 41.4 | Very low | 45.3 | Very low | 85 Ų | 85 | 151.6 Ų | 151.6 | 57% | 0.574 | 79% | 0.79 | S | S | * | * | trans | -76.2 | 119.7 | 169.4 | -168.1 | 0 | 0 | 0 | 0 | 109.2 | C11 | C9-C11 WeakPolarHBondContact CB-SG 3.5Å; C9-C11 PolarHBondContact O-N 3.25Å; C9-C11 WeakPolarHBondContact SG-CB 3.2Å; C9-C11 CovalentContact SG-SG 2.07Å; C9-C11 PolarHBondContact SG-SG 3.36Å | ||
| 10 | T | 44.2 | Very low | 45.3 | Very low | 147 Ų | 147 | 155 Ų | 155 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 25.3 | 175.3 | 46.5 | 0 | 0 | 0 | 0 | 113.5 | Y8 | Y8-T10 PolarHBondContact O-N 3.32Š|
| 11 | C | 45.6 | Very low | 45.5 | Very low | 87 Ų | 87 | 157 Ų | 157 | 59% | 0.588 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | -5.3 | -169.1 | 56.3 | 0 | 0 | 0 | 0 | 115 | C9 | C9-C11 WeakPolarHBondContact CB-SG 3.5Å; C9-C11 PolarHBondContact O-N 3.25Å; C9-C11 WeakPolarHBondContact SG-CB 3.2Å; C9-C11 CovalentContact SG-SG 2.07Å; C9-C11 PolarHBondContact SG-SG 3.36Å |
| 12 | W | 45 | Very low | 45.8 | Very low | 248 Ų | 248 | 154 Ų | 154 | 94% | 0.939 | 78% | 0.783 | S | S | * | * | trans | -126.1 | 86.9 | 178 | -93.8 | 17 | 0 | 0 | 0 | 111.4 | ||||
| 13 | D | 46.1 | Very low | 45.9 | Very low | 104 Ų | 104 | 150.2 Ų | 150.2 | 56% | 0.556 | 78% | 0.777 | S | S | * | * | trans | -113.7 | 109 | 157.2 | -173.3 | 10.2 | 0 | 0 | 0 | 107.9 | W15 N16 | D13-W15 PolarHBondContact O-N 3.46Å; D13-W15 VanDerWaalsContact O-N 3.11Å; D13-N16 PolarHBondContact OD2-ND2 3.18Å | ||
| 14 | P | 46.1 | Very low | 45.6 | Very low | 107 Ų | 107 | 154 Ų | 154 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 2.3 | -170.6 | -16.7 | 30.3 | 0 | 0 | 0 | 115.8 | ||
| 15 | W | 46.1 | Very low | 45.8 | Very low | 226 Ų | 226 | 152.7 Ų | 152.7 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.7 | 9.7 | -167.5 | -64.3 | 100.3 | 0 | 0 | 0 | 116.4 | D13 | D13-W15 PolarHBondContact O-N 3.46Å; D13-W15 VanDerWaalsContact O-N 3.11Å |
| 16 | N | 47.1 | Very low | 45.2 | Very low | 122 Ų | 122 | 153.2 Ų | 153.2 | 65% | 0.652 | 78% | 0.783 | S | S | * | * | trans | -131 | 67.6 | -175.7 | -81.3 | -49.8 | 0 | 0 | 0 | 115.5 | D13 | D13-N16 PolarHBondContact OD2-ND2 3.18Š| ||
| 17 | L | 50.4 | Low | 44.9 | Very low | 148 Ų | 148 | 154.3 Ų | 154.3 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | -130.3 | 88.3 | 164.4 | -69 | 175.1 | 0 | 0 | 0 | 111.9 | ||||
| 18 | G | 50.6 | Low | 44.5 | Very low | 55 Ų | 55 | 154.2 Ų | 154.2 | 57% | 0.567 | 78% | 0.784 | S | S | * | * | trans | -66.6 | 171.1 | 158.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R20 | G18-R20 PolarHBondContact O-N 3.42Å; G18-R20 VanDerWaalsContact O-N 3.15Å | ||
| 19 | P | 46.3 | Very low | 44.4 | Very low | 136 Ų | 136 | 149.2 Ų | 149.2 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | -71 | 112.1 | -163 | 27.4 | -32.8 | 0 | 0 | 0 | 111.9 | ||||
| 20 | R | 46.4 | Very low | 44 | Very low | 219 Ų | 219 | 153.8 Ų | 153.8 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 131.4 | 175.9 | -73.7 | -173.3 | 177.7 | -126.7 | 1.2 | 111.5 | G18 | G18-R20 PolarHBondContact O-N 3.42Å; G18-R20 VanDerWaalsContact O-N 3.15Å |
| 21 | K | 49.4 | Very low | 43.6 | Very low | 196 Ų | 196 | 156.5 Ų | 156.5 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 139.5 | 177.3 | -61.1 | -177.4 | 178.2 | -178.1 | 0 | 111.2 | I23 | K21-I23 PolarHBondContact O-N 3.3Š|
| 22 | L | 43.7 | Very low | 43.2 | Very low | 178 Ų | 178 | 159.8 Ų | 159.8 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 124 | 177.3 | -68.8 | 162.4 | 0 | 0 | 0 | 111.3 | ||
| 23 | I | 41.4 | Very low | 42.6 | Very low | 160 Ų | 160 | 153.4 Ų | 153.4 | 82% | 0.821 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 124.2 | 170.7 | -61.7 | 174 | 0 | 0 | 0 | 107.9 | K21 | K21-I23 PolarHBondContact O-N 3.3Š|
| 24 | K | 42.3 | Very low | 42.2 | Very low | 201 Ų | 201 | 155.9 Ų | 155.9 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 131.4 | 175.2 | -74.7 | 177.5 | 173.7 | 179 | 0 | 110.8 | ||
| 25 | T | 42.8 | Very low | 41.5 | Very low | 130 Ų | 130 | 154 Ų | 154 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 142.6 | 170.7 | -27.2 | 0 | 0 | 0 | 0 | 110.7 | ||
| 26 | P | 42 | Very low | 41 | Very low | 117 Ų | 117 | 154.5 Ų | 154.5 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 135.8 | 174.9 | -3.6 | 21.3 | 0 | 0 | 0 | 111.4 | ||
| 27 | Q | 39.6 | Very low | 40.4 | Very low | 191 Ų | 191 | 153.9 Ų | 153.9 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 148.6 | 170.7 | -80.3 | -173.4 | -13.7 | 0 | 0 | 112.1 | ||
| 28 | L | 35.1 | Very low | 40.3 | Very low | 167 Ų | 167 | 155.4 Ų | 155.4 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -133.6 | 161.2 | 158.5 | -113.1 | 105.7 | 0 | 0 | 0 | 110.4 | ||||
| 29 | P | 40.1 | Very low | 39.6 | Very low | 109 Ų | 109 | 160.6 Ų | 160.6 | 71% | 0.708 | 84% | 0.835 | S | S | * | * | trans | -97.9 | 165.5 | -130.5 | 38.5 | -40 | 0 | 0 | 0 | 116 | ||||
| 30 | H | 34.4 | Very low | 39.3 | Very low | 182 Ų | 182 | 160.5 Ų | 160.5 | 84% | 0.843 | 83% | 0.832 | S | S | * | * | trans | -27.3 | 130.7 | 175.4 | -76.1 | -86.1 | 0 | 0 | 0 | 117.7 | ||||
| 31 | K | 35.9 | Very low | 38.9 | Very low | 203 Ų | 203 | 155.8 Ų | 155.8 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | trans | -129.5 | 132.6 | 148.7 | -85 | -176.9 | 176.5 | 177.8 | 0 | 109.8 | ||||
| 32 | N | 35.3 | Very low | 38.3 | Very low | 157 Ų | 157 | 154.8 Ų | 154.8 | 84% | 0.84 | 83% | 0.832 | S | S | * | * | trans | -66.7 | 134.5 | -176.4 | -59.6 | -33.9 | 0 | 0 | 0 | 111.6 | ||||
| 33 | S | 33.5 | Very low | 38.1 | Very low | 114 Ų | 114 | 154.1 Ų | 154.1 | 80% | 0.797 | 83% | 0.829 | S | S | * | * | trans | -140.3 | 109 | 154.8 | 73 | 0 | 0 | 0 | 0 | 110.7 | G35 | S33-G35 PolarHBondContact O-N 3.46Š| ||
| 34 | T | 38 | Very low | 37.9 | Very low | 155 Ų | 155 | 152 Ų | 152 | 95% | 0.951 | 83% | 0.826 | S | S | * | * | trans | -55.3 | 121.1 | 160.1 | -59.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 35 | G | 31.9 | Very low | 37.6 | Very low | 68 Ų | 68 | 147.1 Ų | 147.1 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | trans | -178 | 84.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | S33 S37 | S33-G35 PolarHBondContact O-N 3.46Å; G35-S37 PolarHBondContact O-N 3.39Å | ||
| 36 | R | 35.2 | Very low | 37.4 | Very low | 237 Ų | 237 | 147 Ų | 147 | 89% | 0.894 | 82% | 0.824 | S | S | * | * | trans | -68.2 | 120.4 | 176.1 | -167.6 | -175 | -168.4 | -170.8 | 5.7 | 109.6 | ||||
| 37 | S | 33.9 | Very low | 37.1 | Very low | 108 Ų | 108 | 150.9 Ų | 150.9 | 76% | 0.755 | 83% | 0.829 | S | S | * | * | trans | -140.3 | 122.8 | 162.9 | 174.8 | 0 | 0 | 0 | 0 | 109.2 | G35 | G35-S37 PolarHBondContact O-N 3.39Š| ||
| 38 | K | 47.9 | Very low | 36.9 | Very low | 180 Ų | 180 | 149.2 Ų | 149.2 | 78% | 0.783 | 83% | 0.826 | S | S | * | * | trans | -77.6 | 119 | 178.8 | -69.7 | 172.2 | 175 | 178.5 | 0 | 108.8 | ||||
| 39 | L | 36 | Very low | 36.8 | Very low | 165 Ų | 165 | 150.3 Ų | 150.3 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | trans | -144.9 | 120.5 | 154.5 | -74.5 | 177.8 | 0 | 0 | 0 | 109.9 | ||||
| 40 | T | 39.7 | Very low | 36.3 | Very low | 133 Ų | 133 | 152.5 Ų | 152.5 | 82% | 0.816 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 136.6 | 173 | -48 | 0 | 0 | 0 | 0 | 110.2 | L42 | T40-L42 PolarHBondContact O-N 3.36Š|
| 41 | P | 38.5 | Very low | 36.3 | Very low | 120 Ų | 120 | 154.1 Ų | 154.1 | 78% | 0.779 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 123.7 | 172 | -9.4 | 25.7 | 0 | 0 | 0 | 110.6 | ||
| 42 | L | 36.1 | Very low | 36.2 | Very low | 175 Ų | 175 | 152 Ų | 152 | 92% | 0.916 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 124.7 | 163.4 | -74.9 | 168 | 0 | 0 | 0 | 108.9 | T40 | T40-L42 PolarHBondContact O-N 3.36Š|
| 43 | L | 40.3 | Very low | 36.1 | Very low | 164 Ų | 164 | 153 Ų | 153 | 86% | 0.859 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 149.9 | 171.9 | -82.7 | 154.3 | 0 | 0 | 0 | 111.1 | ||
| 44 | P | 36.8 | Very low | 36.6 | Very low | 116 Ų | 116 | 152.8 Ų | 152.8 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 139.7 | 177.2 | 30.4 | -30.9 | 0 | 0 | 0 | 111.6 | ||
| 45 | A | 37.5 | Very low | 36.1 | Very low | 98 Ų | 98 | 152.3 Ų | 152.3 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 137.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 46 | P | 38 | Very low | 36.2 | Very low | 128 Ų | 128 | 158.4 Ų | 158.4 | 83% | 0.831 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 148.2 | 165.2 | 34 | -27.8 | 0 | 0 | 0 | 111.5 | ||
| 47 | K | 35.3 | Very low | 36.4 | Very low | 199 Ų | 199 | 152.9 Ų | 152.9 | 87% | 0.865 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 142 | -178.1 | -68.1 | 167.1 | 175.8 | 175.6 | 0 | 112.5 | ||
| 48 | N | 35.7 | Very low | 36.1 | Very low | 156 Ų | 156 | 154.2 Ų | 154.2 | 83% | 0.834 | 83% | 0.828 | S | S | * | * | trans | -10.6 | 125.2 | 158.9 | -59.3 | -29.1 | 0 | 0 | 0 | 116.6 | ||||
| 49 | H | 32.6 | Very low | 35.2 | Very low | 189 Ų | 189 | 151.5 Ų | 151.5 | 88% | 0.875 | 83% | 0.826 | S | S | * | * | trans | -130.9 | 148.7 | 151.7 | -99.9 | 29.1 | 0 | 0 | 0 | 111.8 | ||||
| 50 | N | 30.8 | Very low | 35.4 | Very low | 156 Ų | 156 | 148.3 Ų | 148.3 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | trans | -61.4 | 161.8 | -168.6 | -76.7 | -57.6 | 0 | 0 | 0 | 115.9 | ||||
| 51 | Y | 33.2 | Very low | 35.7 | Very low | 215 Ų | 215 | 147 Ų | 147 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | trans | -50.5 | 164.8 | 174.1 | -80.9 | -99.1 | 0 | 0 | 0 | 117.3 | ||||
| 52 | L | 33.9 | Very low | 35.2 | Very low | 159 Ų | 159 | 150.3 Ų | 150.3 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | 94.9 | 122.8 | 164.8 | -54 | 176.4 | 0 | 0 | 0 | 113.1 | ||||
| 53 | Q | 33.5 | Very low | 34.8 | Very low | 179 Ų | 179 | 152.2 Ų | 152.2 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | cis | -164.2 | -171.1 | 32.4 | -125.1 | -162.7 | 4.6 | 0 | 0 | 110.9 | ||||
| 54 | P | 43.3 | Very low | 34.5 | Very low | 108 Ų | 108 | 152.1 Ų | 152.1 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | -106.1 | 159.3 | -136.8 | 41.3 | -29 | 0 | 0 | 0 | 116 | ||||
| 55 | T | 28.6 | Very low | 34.3 | Very low | 146 Ų | 146 | 155 Ų | 155 | 90% | 0.896 | 81% | 0.814 | S | S | * | * | trans | -140.3 | 141.4 | 166.6 | -41.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 56 | K | 32.7 | Very low | 34 | Very low | 195 Ų | 195 | 157.4 Ų | 157.4 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | -62.4 | 166.2 | -168.6 | -65 | 171.2 | 178.2 | 176.8 | 0 | 116.6 | ||||
| 57 | P | 40.7 | Very low | 33.6 | Very low | 122 Ų | 122 | 155.9 Ų | 155.9 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | trans | -100.1 | 143.8 | 179.7 | 37.7 | -29.6 | 0 | 0 | 0 | 113.5 | ||||
| 58 | V | 26.6 | Very low | 33.3 | Very low | 136 Ų | 136 | 151 Ų | 151 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | -161.5 | 142.5 | 159.6 | -139.8 | 0 | 0 | 0 | 0 | 106 | ||||
| 59 | V | 29.5 | Very low | 33.4 | Very low | 123 Ų | 123 | 155.3 Ų | 155.3 | 75% | 0.745 | 81% | 0.808 | S | S | * | * | cis | -157.8 | 141.4 | 28.7 | -170.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 60 | S | 40.3 | Very low | 33.3 | Very low | 98 Ų | 98 | 154.5 Ų | 154.5 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | trans | -53.7 | 179.4 | 156.2 | 61.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 61 | P | 44.9 | Very low | 33.7 | Very low | 106 Ų | 106 | 155.7 Ų | 155.7 | 69% | 0.688 | 81% | 0.805 | S | S | * | * | -163.8 | 161 | 77 | 40.8 | -18 | 0 | 0 | 0 | 119.5 | |||||
| 62 | K | 29.4 | Very low | 33.6 | Very low | 188 Ų | 188 | 153.3 Ų | 153.3 | 82% | 0.817 | 80% | 0.802 | S | S | * | * | trans | 130.3 | 109.2 | 131.2 | -74.7 | 180 | -178.4 | 170.7 | 0 | 116 | ||||
| 63 | K | 27.3 | Very low | 33.8 | Very low | 216 Ų | 216 | 150.9 Ų | 150.9 | 94% | 0.939 | 80% | 0.798 | S | S | * | * | -154 | 138.5 | 102.4 | -104.7 | 176 | -178.2 | -179.9 | 0 | 109.9 | |||||
| 64 | K | 34.4 | Very low | 34.4 | Very low | 161 Ų | 161 | 150.5 Ų | 150.5 | 70% | 0.7 | 80% | 0.802 | S | S | * | * | trans | -97.5 | 149.1 | -175.5 | -69.4 | 171.7 | 164.4 | -177.6 | 0 | 109.2 | ||||
| 65 | I | 31.7 | Very low | 34.1 | Very low | 176 Ų | 176 | 153.8 Ų | 153.8 | 90% | 0.903 | 81% | 0.805 | S | S | * | * | -144.5 | 133.7 | 125.4 | -59.5 | -169.8 | 0 | 0 | 0 | 107.4 | |||||
| 66 | H | 31.2 | Very low | 34.8 | Very low | 149 Ų | 149 | 150.9 Ų | 150.9 | 69% | 0.69 | 79% | 0.791 | S | S | * | * | trans | -99.6 | 154.6 | -176.9 | -77.7 | -89.2 | 0 | 0 | 0 | 111.8 | ||||
| 67 | A | 29.5 | Very low | 35.3 | Very low | 96 Ų | 96 | 150.8 Ų | 150.8 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | 150.8 | 110.2 | 132.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 68 | A | 30.3 | Very low | 35.9 | Very low | 97 Ų | 97 | 152.2 Ų | 152.2 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | 72.9 | 108.8 | 60.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 69 | R | 36.1 | Very low | 37.5 | Very low | 247 Ų | 247 | 151.6 Ų | 151.6 | 93% | 0.932 | 77% | 0.769 | S | S | * | * | trans | 69.4 | 122.5 | 155.2 | -73 | -172.5 | 173.4 | -168.1 | -2.7 | 119.5 | ||||
| 70 | Q | 31.1 | Very low | 39.2 | Very low | 171 Ų | 171 | 149.4 Ų | 149.4 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | -164.5 | 134.4 | 101.3 | -140.4 | 168.6 | -23.4 | 0 | 0 | 111.1 | |||||
| 71 | E | 39.2 | Very low | 40.7 | Very low | 181 Ų | 181 | 147.9 Ų | 147.9 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | trans | -57.9 | 142.8 | 157.9 | -75.1 | 163.8 | 126.9 | 0 | 0 | 109.3 | ||||
| 72 | E | 32.2 | Very low | 41.9 | Very low | 165 Ų | 165 | 148.6 Ų | 148.6 | 77% | 0.771 | 74% | 0.738 | S | S | * | * | trans | -178.6 | 122.8 | 135.9 | -102.8 | 161.4 | -161.2 | 0 | 0 | 112.9 | ||||
| 73 | S | 36.4 | Very low | 44 | Very low | 108 Ų | 108 | 143.9 Ų | 143.9 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | trans | 74.4 | 119.3 | 144.1 | 77.3 | 0 | 0 | 0 | 0 | 120.5 | K75 | S73-K75 PolarHBondContact O-N 3Š| ||
| 74 | N | 46.7 | Very low | 45.7 | Very low | 171 Ų | 171 | 136.7 Ų | 136.7 | 91% | 0.914 | 70% | 0.701 | S | S | * | * | trans | -54.8 | 113 | 151.6 | -71.1 | -50.1 | 0 | 0 | 0 | 110.1 | ||||
| 75 | K | 38.2 | Very low | 47.4 | Very low | 178 Ų | 178 | 135 Ų | 135 | 77% | 0.774 | 71% | 0.707 | S | S | * | * | trans | -160 | 115.4 | 151 | -116.8 | 172 | -177.9 | 178.1 | 0 | 108.7 | S73 F77 | S73-K75 PolarHBondContact O-N 3Å; K75-F77 PolarHBondContact O-N 3.36Å; K75-F77 VanDerWaalsContact O-N 3.13Å | ||
| 76 | S | 42.1 | Very low | 49.1 | Very low | 84 Ų | 84 | 127.3 Ų | 127.3 | 59% | 0.587 | 67% | 0.671 | S | S | * | * | trans | -58.6 | 113.9 | 168.5 | 40.9 | 0 | 0 | 0 | 0 | 108.9 | Y78 | S76-Y78 PolarHBondContact O-N 2.99Å; S76-Y78 VanDerWaalsContact O-N 3.13Å | ||
| 77 | F | 42.7 | Very low | 51.2 | Low | 193 Ų | 193 | 125.2 Ų | 125.2 | 85% | 0.846 | 66% | 0.657 | S | S | * | * | trans | -72.3 | 102.2 | 171.4 | -76.6 | -87.8 | 0 | 0 | 0 | 108.3 | K75 | K75-F77 PolarHBondContact O-N 3.36Å; K75-F77 VanDerWaalsContact O-N 3.13Å | ||
| 78 | Y | 53.9 | Low | 53.4 | Low | 152 Ų | 152 | 125 Ų | 125 | 60% | 0.596 | 64% | 0.64 | S | S | * | * | trans | -79.1 | 109.7 | 160.6 | -71.2 | -87 | 0 | 0 | 0 | 107.3 | S76 V80 V90 | S76-Y78 PolarHBondContact O-N 2.99Å; S76-Y78 VanDerWaalsContact O-N 3.13Å; Y78-V80 PolarHBondContact O-N 3.44Å; Y78-V90 HydrophobicContact CD1-CG1 4.03Å | ||
| 79 | E | 59.5 | Low | 55.6 | Low | 123 Ų | 123 | 122 Ų | 122 | 58% | 0.575 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87 | 104.6 | 172.4 | -162 | 175.7 | -169.4 | 0 | 0 | 108.1 | I81 R91 | E79-I81 HydrophobicContact CG-CD1 4.33Å; E79-I81 HydrophobicContact CG-CG1 4.02Å; E79-R91 PolarHBondContact O-N 3.04Å |
| 80 | V | 66.4 | Low | 57.5 | Low | 77 Ų | 77 | 111.8 Ų | 111.8 | 47% | 0.467 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.1 | 109.6 | 174.8 | -175.5 | 0 | 0 | 0 | 0 | 107.6 | Y78 Q88 L89 V90 | Y78-V80 PolarHBondContact O-N 3.44Å; V80-Q88 HydrophobicContact CG1-CB 4.28Å; V80-Q88 HydrophobicContact CG1-CG 4.06Å; V80-L89 CarbonylContact C-O 3.56Å; V80-L89 WeakPolarHBondContact CA-O 3.47Å; V80-V90 HydrophobicContact CG1-CG2 4.31Å; V80-V90 HydrophobicContact CG2-CG1 4.41Å; V80-V90 HydrophobicContact CG2-CG2 4.07Å |
| 81 | I | 72.4 | Confident | 59.6 | Low | 66 Ų | 66 | 110.2 Ų | 110.2 | 34% | 0.338 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.7 | 119.2 | -178.9 | -56 | 173.3 | 0 | 0 | 0 | 108.1 | E79 V83 L89 | E79-I81 HydrophobicContact CG-CD1 4.33Å; E79-I81 HydrophobicContact CG-CG1 4.02Å; I81-V83 HydrophobicContact CG2-CG2 4.42Å; I81-V83 PolarHBondContact O-N 3.42Å; I81-L89 HydrophobicContact CB-CB 4.41Å; I81-L89 PolarHBondContact N-O 3.03Å; I81-L89 PolarHBondContact O-N 3.33Å |
| 82 | N | 68.9 | Low | 61.3 | Low | 121 Ų | 121 | 105.4 Ų | 105.4 | 65% | 0.647 | 54% | 0.543 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 103.1 | 168.3 | -86 | -26.8 | 0 | 0 | 0 | 108.5 | Q88 | N82-Q88 WeakPolarHBondContact OD1-CG 3.45Å |
| 83 | V | 73.5 | Confident | 63.2 | Low | 90 Ų | 90 | 109.1 Ų | 109.1 | 55% | 0.545 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | -36.5 | -179.2 | -166 | 0 | 0 | 0 | 0 | 110.2 | I81 L89 | I81-V83 HydrophobicContact CG2-CG2 4.42Å; I81-V83 PolarHBondContact O-N 3.42Å; V83-L89 HydrophobicContact CG2-CB 3.54Å; V83-L89 HydrophobicContact CG2-CD2 4.12Å; V83-L89 HydrophobicContact CG2-CG 4.48Å |
| 84 | S | 64.3 | Low | 64.8 | Low | 64 Ų | 64 | 112.6 Ų | 112.6 | 45% | 0.448 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -161.9 | 158.7 | -178.9 | -51.2 | 0 | 0 | 0 | 0 | 110.3 | G86 Y87 | S84-G86 PolarHBondContact O-N 3.27Å; S84-Y87 PolarHBondContact O-N 2.98Å |
| 85 | P | 69.8 | Low | 65.8 | Low | 127 Ų | 127 | 112.1 Ų | 112.1 | 83% | 0.825 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 127.7 | 175.8 | -23.9 | 33.7 | 0 | 0 | 0 | 111.3 | ||
| 86 | G | 66.7 | Low | 67.7 | Low | 13 Ų | 13 | 108.6 Ų | 108.6 | 13% | 0.134 | 54% | 0.535 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 1.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | S84 G101 | S84-G86 PolarHBondContact O-N 3.27Å; G86-G101 PolarHBondContact O-N 3.14Å |
| 87 | Y | 75.4 | Confident | 69.1 | Low | 105 Ų | 105 | 107.6 Ų | 107.6 | 41% | 0.412 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 120.4 | 174.9 | -68.3 | -96.8 | 0 | 0 | 0 | 112.3 | S84 V98 L100 M104 | S84-Y87 PolarHBondContact O-N 2.98Å; Y87-V98 HydrophobicContact CD1-CG1 4.02Å; Y87-L100 HydrophobicContact CD1-CD1 3.71Å; Y87-L100 HydrophobicContact CD2-CD1 4.2Å; Y87-L100 HydrophobicContact CE1-CD1 3.22Å; Y87-L100 HydrophobicContact CE2-CD1 3.76Å; Y87-L100 HydrophobicContact CG-CD1 4.17Å; Y87-M104 HydrophobicContact CD2-CE 4.33Å; Y87-M104 HydrophobicContact CE2-CE 3.49Å; Y87-M104 VanDerWaalsContact CE2-CE 3.49Å |
| 88 | Q | 74.6 | Confident | 70.9 | Confident | 93 Ų | 93 | 103 Ų | 103 | 44% | 0.435 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.3 | 172.5 | -86.9 | 177.8 | 11.8 | 0 | 0 | 111 | V80 N82 V98 T99 | V80-Q88 HydrophobicContact CG1-CB 4.28Å; V80-Q88 HydrophobicContact CG1-CG 4.06Å; N82-Q88 WeakPolarHBondContact OD1-CG 3.45Å; Q88-V98 WeakPolarHBondContact O-CA 3.38Å; Q88-T99 PolarHBondContact N-O 3.21Å; Q88-T99 PolarHBondContact O-N 3.02Å; Q88-T99 PolarHBondContact O-OG1 3.31Å |
| 89 | L | 77.9 | Confident | 71.8 | Confident | 33 Ų | 33 | 99.3 Ų | 99.3 | 17% | 0.173 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 120.1 | 171.9 | 173.1 | 62.5 | 0 | 0 | 0 | 109.3 | V80 I81 V83 I96 S97 V98 | V80-L89 CarbonylContact C-O 3.56Å; V80-L89 WeakPolarHBondContact CA-O 3.47Å; I81-L89 HydrophobicContact CB-CB 4.41Å; I81-L89 PolarHBondContact N-O 3.03Å; I81-L89 PolarHBondContact O-N 3.33Å; V83-L89 HydrophobicContact CG2-CB 3.54Å; V83-L89 HydrophobicContact CG2-CD2 4.12Å; V83-L89 HydrophobicContact CG2-CG 4.48Å; L89-I96 HydrophobicContact CD1-CG2 3.24Å; L89-I96 HydrophobicContact CG-CG2 4.41Å; L89-S97 WeakPolarHBondContact CD1-O 3.47Å; L89-V98 HydrophobicContact CD1-CG2 3.65Å |
| 90 | V | 75.7 | Confident | 72.5 | Confident | 33 Ų | 33 | 97.2 Ų | 97.2 | 20% | 0.2 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 119.1 | 172.7 | -172.3 | 0 | 0 | 0 | 0 | 108.3 | Y78 V80 S97 | Y78-V90 HydrophobicContact CD1-CG1 4.03Å; V80-V90 HydrophobicContact CG1-CG2 4.31Å; V80-V90 HydrophobicContact CG2-CG1 4.41Å; V80-V90 HydrophobicContact CG2-CG2 4.07Å; V90-S97 PolarHBondContact N-O 3.12Å; V90-S97 PolarHBondContact O-N 3.36Å |
| 91 | R | 75.5 | Confident | 72.6 | Confident | 137 Ų | 137 | 94.6 Ų | 94.6 | 52% | 0.517 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 130.2 | 179.9 | -178.6 | 168.9 | -170.1 | 164.4 | 3.1 | 111.1 | E79 I96 | E79-R91 PolarHBondContact O-N 3.04Å; R91-I96 HydrophobicContact CG-CG1 4.12Å |
| 92 | N | 74.1 | Confident | 72.3 | Confident | 81 Ų | 81 | 98.1 Ų | 98.1 | 43% | 0.433 | 51% | 0.509 | S | S | . | . | trans | -122.8 | 171.1 | 164.4 | -162.4 | -11.2 | 0 | 0 | 0 | 109.4 | E94 Q95 | N92-E94 PolarHBondContact O-N 3.25Å; N92-Q95 PolarHBondContact N-O 3.42Å | ||
| 93 | R | 72.3 | Confident | 72.2 | Confident | 243 Ų | 243 | 100.1 Ų | 100.1 | 92% | 0.917 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -56.5 | -22.2 | -178.3 | -106.3 | -176.5 | 175.1 | -172.5 | -1.1 | 114.2 | ||
| 94 | E | 69.7 | Low | 71.5 | Confident | 181 Ų | 181 | 100.5 Ų | 100.5 | 85% | 0.846 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -118.4 | -19.2 | -171.5 | -65.8 | 171.7 | -175.8 | 0 | 0 | 113.9 | N92 | N92-E94 PolarHBondContact O-N 3.25Š|
| 95 | Q | 67.6 | Low | 71.3 | Confident | 160 Ų | 160 | 104.7 Ų | 104.7 | 75% | 0.748 | 52% | 0.522 | S | S | * | . | trans | -147.1 | 148.8 | -176.8 | -66.6 | -177.2 | 5.1 | 0 | 0 | 111.9 | N92 | N92-Q95 PolarHBondContact N-O 3.42Š| ||
| 96 | I | 78.4 | Confident | 70.5 | Confident | 105 Ų | 105 | 106.3 Ų | 106.3 | 54% | 0.538 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 121.9 | 174 | -59.2 | -178.6 | 0 | 0 | 0 | 106.4 | L89 R91 | L89-I96 HydrophobicContact CD1-CG2 3.24Å; L89-I96 HydrophobicContact CG-CG2 4.41Å; R91-I96 HydrophobicContact CG-CG1 4.12Å |
| 97 | S | 72.7 | Confident | 69.9 | Low | 63 Ų | 63 | 108.5 Ų | 108.5 | 44% | 0.441 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 139.9 | 173.8 | 57.3 | 0 | 0 | 0 | 0 | 110.7 | L89 V90 | L89-S97 WeakPolarHBondContact CD1-O 3.47Å; V90-S97 PolarHBondContact N-O 3.12Å; V90-S97 PolarHBondContact O-N 3.36Å |
| 98 | V | 78.9 | Confident | 68.4 | Low | 95 Ų | 95 | 113.9 Ų | 113.9 | 58% | 0.576 | 57% | 0.572 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.8 | 119 | 174.6 | 178.9 | 0 | 0 | 0 | 0 | 107.4 | Y87 Q88 L89 | Y87-V98 HydrophobicContact CD1-CG1 4.02Å; Q88-V98 WeakPolarHBondContact O-CA 3.38Å; L89-V98 HydrophobicContact CD1-CG2 3.65Å |
| 99 | T | 72.4 | Confident | 67.3 | Low | 76 Ų | 76 | 117.5 Ų | 117.5 | 47% | 0.466 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.8 | 130.1 | 175.3 | 37.2 | 0 | 0 | 0 | 0 | 110.3 | Q88 | Q88-T99 PolarHBondContact N-O 3.21Å; Q88-T99 PolarHBondContact O-N 3.02Å; Q88-T99 PolarHBondContact O-OG1 3.31Å |
| 100 | L | 74.3 | Confident | 65.6 | Low | 78 Ų | 78 | 125.4 Ų | 125.4 | 41% | 0.408 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.5 | 127.1 | 172 | -168.4 | 70.6 | 0 | 0 | 0 | 108.9 | Y87 M104 F105 | Y87-L100 HydrophobicContact CD1-CD1 3.71Å; Y87-L100 HydrophobicContact CD2-CD1 4.2Å; Y87-L100 HydrophobicContact CE1-CD1 3.22Å; Y87-L100 HydrophobicContact CE2-CD1 3.76Å; Y87-L100 HydrophobicContact CG-CD1 4.17Å; L100-M104 HydrophobicContact CD1-CE 3.46Å; L100-M104 VanDerWaalsContact CD1-CE 3.46Å; L100-M104 HydrophobicContact CG-CE 4.38Å; L100-F105 HydrophobicContact CD2-CE2 3.87Å; L100-F105 HydrophobicContact CD2-CZ 4.25Å |
| 101 | G | 69.9 | Low | 64 | Low | 23 Ų | 23 | 133.5 Ų | 133.5 | 24% | 0.237 | 64% | 0.641 | C | S | . | * | trans | -73.2 | 140.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G86 E103 M104 | G86-G101 PolarHBondContact O-N 3.14Å; G101-E103 PolarHBondContact O-N 3.24Å; G101-M104 PolarHBondContact O-N 3.21Å | ||
| 102 | D | 65.3 | Low | 61.9 | Low | 140 Ų | 140 | 134 Ų | 134 | 75% | 0.749 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -60.5 | -13.8 | 179.9 | -107.7 | -12 | 0 | 0 | 0 | 114 | M104 F105 | D102-M104 PolarHBondContact O-N 3.46Å; D102-M104 VanDerWaalsContact O-N 3.11Å; D102-F105 PolarHBondContact O-N 3.39Å; D102-F105 VanDerWaalsContact O-N 3.09Å |
| 103 | E | 66.6 | Low | 60.5 | Low | 163 Ų | 163 | 134.3 Ų | 134.3 | 76% | 0.762 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -60.4 | -18.8 | 177.7 | -63.4 | 157.3 | 175.9 | 0 | 0 | 113.3 | G101 | G101-E103 PolarHBondContact O-N 3.24Š|
| 104 | M | 60.4 | Low | 58.7 | Low | 98 Ų | 98 | 131.9 Ų | 131.9 | 48% | 0.483 | 66% | 0.657 | S | S | . | * | G | 310 helix | trans | -86.1 | -3.9 | 178.5 | -60.5 | -122.7 | -87.5 | 0 | 0 | 113.8 | Y87 L100 G101 D102 | Y87-M104 HydrophobicContact CD2-CE 4.33Å; Y87-M104 HydrophobicContact CE2-CE 3.49Å; Y87-M104 VanDerWaalsContact CE2-CE 3.49Å; L100-M104 HydrophobicContact CD1-CE 3.46Å; L100-M104 VanDerWaalsContact CD1-CE 3.46Å; L100-M104 HydrophobicContact CG-CE 4.38Å; G101-M104 PolarHBondContact O-N 3.21Å; D102-M104 PolarHBondContact O-N 3.46Å; D102-M104 VanDerWaalsContact O-N 3.11Å |
| 105 | F | 59.3 | Low | 57.5 | Low | 151 Ų | 151 | 130.3 Ų | 130.3 | 66% | 0.662 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -111.2 | -4.7 | -179.4 | -66.9 | -80.4 | 0 | 0 | 0 | 114.8 | L100 D102 G107 | L100-F105 HydrophobicContact CD2-CE2 3.87Å; L100-F105 HydrophobicContact CD2-CZ 4.25Å; D102-F105 PolarHBondContact O-N 3.39Å; D102-F105 VanDerWaalsContact O-N 3.09Å; F105-G107 PolarHBondContact O-N 3.25Å; F105-G107 VanDerWaalsContact O-N 3.16Å |
| 106 | D | 52.6 | Low | 56.4 | Low | 161 Ų | 161 | 128.2 Ų | 128.2 | 86% | 0.861 | 65% | 0.653 | S | S | * | * | trans | -88.6 | 72.7 | 173 | -96 | -20.6 | 0 | 0 | 0 | 112 | ||||
| 107 | G | 53.3 | Low | 54.5 | Low | 59 Ų | 59 | 130.4 Ų | 130.4 | 61% | 0.608 | 67% | 0.666 | S | S | * | * | trans | -138.7 | 38.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | F105 K109 | F105-G107 PolarHBondContact O-N 3.25Å; F105-G107 VanDerWaalsContact O-N 3.16Å; G107-K109 VanDerWaalsContact C-N 3.3Å; G107-K109 PolarHBondContact O-N 3Å | ||
| 108 | K | 45.7 | Very low | 52.9 | Low | 219 Ų | 219 | 136.3 Ų | 136.3 | 95% | 0.952 | 68% | 0.683 | S | S | * | * | trans | -78.8 | 77.1 | 176.7 | -153.1 | 173.6 | -171 | 178.2 | 0 | 111 | ||||
| 109 | K | 51.4 | Low | 51.2 | Low | 169 Ų | 169 | 138.9 Ų | 138.9 | 74% | 0.735 | 69% | 0.694 | S | S | * | * | trans | -80.1 | 115.4 | 171.6 | -71.7 | -175.4 | 179.4 | 178 | 0 | 110.8 | G107 | G107-K109 VanDerWaalsContact C-N 3.3Å; G107-K109 PolarHBondContact O-N 3Å | ||
| 110 | R | 40.7 | Very low | 50.2 | Low | 199 Ų | 199 | 146.1 Ų | 146.1 | 75% | 0.751 | 71% | 0.713 | S | S | * | * | trans | -69.5 | 118.2 | 166.5 | -160.7 | -175.7 | -151.2 | -109.4 | 2.7 | 107.8 | E112 | R110-E112 IonicContact CZ-OE1 3.81Å; R110-E112 IonicContact NH1-OE1 2.98Å; R110-E112 PolarHBondContact NH1-OE1 3.39Å; R110-E112 IonicContact NH1-OE2 2.95Å; R110-E112 PolarHBondContact NH1-OE2 3.3Å | ||
| 111 | W | 42.4 | Very low | 48.5 | Very low | 203 Ų | 203 | 151.8 Ų | 151.8 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | -116.2 | 94.8 | 169.6 | -69.1 | 84.5 | 0 | 0 | 0 | 108.5 | ||||
| 112 | E | 32 | Very low | 47.8 | Very low | 146 Ų | 146 | 153.9 Ų | 153.9 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | trans | -80.2 | 124.6 | 151.9 | -86.2 | 156.6 | 170.6 | 0 | 0 | 106.5 | R110 | R110-E112 IonicContact CZ-OE1 3.81Å; R110-E112 IonicContact NH1-OE1 2.98Å; R110-E112 PolarHBondContact NH1-OE1 3.39Å; R110-E112 IonicContact NH1-OE2 2.95Å; R110-E112 PolarHBondContact NH1-OE2 3.3Å | ||
| 113 | S | 43.7 | Very low | 47.6 | Very low | 89 Ų | 89 | 157.3 Ų | 157.3 | 62% | 0.622 | 75% | 0.748 | S | S | * | * | trans | -150.8 | 92.5 | 166.2 | -68.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 114 | E | 36.4 | Very low | 47.6 | Very low | 191 Ų | 191 | 154.7 Ų | 154.7 | 89% | 0.893 | 74% | 0.743 | S | S | * | * | trans | -67.2 | 127.7 | 156.2 | -174.7 | 169.9 | -156.6 | 0 | 0 | 108.6 | ||||
| 115 | I | 43.9 | Very low | 48.2 | Very low | 148 Ų | 148 | 155.1 Ų | 155.1 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | trans | -134.2 | 114.2 | 172.6 | -56.5 | 176 | 0 | 0 | 0 | 108.4 | ||||
| 116 | P | 44.9 | Very low | 49 | Very low | 116 Ų | 116 | 152.9 Ų | 152.9 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | trans | -88.6 | 110.4 | 161.8 | 32.3 | -24.8 | 0 | 0 | 0 | 110.3 | ||||
| 117 | N | 36.8 | Very low | 50.3 | Low | 152 Ų | 152 | 149.5 Ų | 149.5 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | trans | 29 | 144.4 | 130.8 | -134 | -9.1 | 0 | 0 | 0 | 122.9 | ||||
| 118 | K | 40.8 | Very low | 51.7 | Low | 186 Ų | 186 | 150 Ų | 150 | 81% | 0.809 | 72% | 0.716 | S | S | * | * | trans | 85.9 | 122.1 | 173.1 | -66.6 | 177.7 | 172.6 | 177.6 | 0 | 114.3 | ||||
| 119 | D | 42.4 | Very low | 53.6 | Low | 150 Ų | 150 | 144 Ų | 144 | 80% | 0.802 | 70% | 0.695 | S | S | * | * | cis | -148.1 | 149.5 | 45.9 | -133.2 | -14 | 0 | 0 | 0 | 113.4 | F121 | D119-F121 PolarHBondContact O-N 2.97Š| ||
| 120 | R | 50.8 | Low | 55.3 | Low | 228 Ų | 228 | 140.2 Ų | 140.2 | 86% | 0.86 | 68% | 0.682 | S | S | * | * | trans | -88.2 | 98.6 | -169.4 | -75.8 | 177.1 | 173.4 | -171.5 | -2.3 | 112.1 | ||||
| 121 | F | 39.3 | Very low | 57.5 | Low | 197 Ų | 197 | 136.9 Ų | 136.9 | 86% | 0.864 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -142.7 | 121.1 | 150.3 | -76 | -76.3 | 0 | 0 | 0 | 111.2 | D119 | D119-F121 PolarHBondContact O-N 2.97Š|
| 122 | S | 54.4 | Low | 59.7 | Low | 67 Ų | 67 | 132.4 Ų | 132.4 | 47% | 0.469 | 66% | 0.663 | S | S | . | * | trans | 75.6 | 41.7 | 159.7 | -42.9 | 0 | 0 | 0 | 0 | 121.8 | T124 | S122-T124 VanDerWaalsContact C-N 3.31Å; S122-T124 PolarHBondContact O-N 3.44Å | ||
| 123 | R | 60.8 | Low | 62.6 | Low | 212 Ų | 212 | 130.3 Ų | 130.3 | 80% | 0.8 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66 | -27.9 | 170.7 | -156.7 | 177.4 | -172.2 | 173.8 | 2.3 | 113.7 | I127 | R123-I127 HydrophobicContact CG-CD1 4.19Å; R123-I127 WeakPolarHBondContact O-CD1 3.13Å; R123-I127 VanDerWaalsContact O-CG1 3.22Å; R123-I127 WeakPolarHBondContact O-CG1 3.37Å; R123-I127 PolarHBondContact O-N 3.26Å |
| 124 | T | 67.9 | Low | 64.8 | Low | 107 Ų | 107 | 131.1 Ų | 131.1 | 66% | 0.656 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -74.7 | -39.4 | -175.8 | 16 | 0 | 0 | 0 | 0 | 113.9 | S122 I126 I127 S128 | S122-T124 VanDerWaalsContact C-N 3.31Å; S122-T124 PolarHBondContact O-N 3.44Å; T124-I126 VanDerWaalsContact C-N 3.35Å; T124-I127 PolarHBondContact O-N 3.09Å; T124-S128 PolarHBondContact O-N 2.98Å |
| 125 | N | 72.1 | Confident | 67.5 | Low | 107 Ų | 107 | 125.3 Ų | 125.3 | 57% | 0.572 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.5 | -39.6 | 178.5 | -66.9 | -3.4 | 0 | 0 | 0 | 111.1 | I127 S128 D129 | N125-I127 VanDerWaalsContact C-N 3.34Å; N125-I127 PolarHBondContact O-N 3.25Å; N125-S128 PolarHBondContact O-N 2.93Å; N125-D129 PolarHBondContact O-N 3.38Å |
| 126 | I | 75.8 | Confident | 69.8 | Low | 105 Ų | 105 | 123.4 Ų | 123.4 | 54% | 0.538 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -64.1 | -39.6 | 176.3 | -59.6 | 169.6 | 0 | 0 | 0 | 111 | T124 L130 | T124-I126 VanDerWaalsContact C-N 3.35Å; I126-L130 HydrophobicContact CG2-CD1 4.07Å; I126-L130 WeakPolarHBondContact O-CB 3.45Å; I126-L130 VanDerWaalsContact O-CG 3.23Å; I126-L130 WeakPolarHBondContact O-CG 3.41Å; I126-L130 PolarHBondContact O-N 3.48Å |
| 127 | I | 80.1 | Confident | 72.2 | Confident | 89 Ų | 89 | 122.6 Ų | 122.6 | 46% | 0.456 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67 | -40.8 | 177.1 | -68.9 | 165.9 | 0 | 0 | 0 | 111.1 | R123 T124 N125 L130 Q131 | R123-I127 HydrophobicContact CG-CD1 4.19Å; R123-I127 WeakPolarHBondContact O-CD1 3.13Å; R123-I127 VanDerWaalsContact O-CG1 3.22Å; R123-I127 WeakPolarHBondContact O-CG1 3.37Å; R123-I127 PolarHBondContact O-N 3.26Å; T124-I127 PolarHBondContact O-N 3.09Å; N125-I127 VanDerWaalsContact C-N 3.34Å; N125-I127 PolarHBondContact O-N 3.25Å; I127-L130 PolarHBondContact O-N 3.48Å; I127-Q131 WeakPolarHBondContact O-CB 3.27Å; I127-Q131 PolarHBondContact O-N 3.39Å |
| 128 | S | 83.9 | Confident | 74.8 | Confident | 70 Ų | 70 | 118.5 Ų | 118.5 | 49% | 0.49 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.4 | -47.6 | 176.8 | -166.4 | 0 | 0 | 0 | 0 | 111.7 | T124 N125 L130 Q131 E132 | T124-S128 PolarHBondContact O-N 2.98Å; N125-S128 PolarHBondContact O-N 2.93Å; S128-L130 VanDerWaalsContact C-N 3.33Å; S128-L130 PolarHBondContact O-N 2.87Å; S128-Q131 PolarHBondContact O-N 2.74Å; S128-Q131 VanDerWaalsContact O-N 3.16Å; S128-E132 WeakPolarHBondContact O-CB 3.46Å; S128-E132 PolarHBondContact O-N 3.24Å |
| 129 | D | 85.7 | Confident | 77.3 | Confident | 94 Ų | 94 | 112.1 Ų | 112.1 | 50% | 0.503 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -58.7 | -43.4 | 175.5 | -86.8 | 15.9 | 0 | 0 | 0 | 111.5 | N125 Q131 E132 Q133 | N125-D129 PolarHBondContact O-N 3.38Å; D129-Q131 VanDerWaalsContact C-N 3.33Å; D129-Q131 PolarHBondContact O-N 3.47Å; D129-E132 PolarHBondContact O-N 3.21Å; D129-Q133 WeakPolarHBondContact O-CB 3.39Å; D129-Q133 VanDerWaalsContact O-CG 3.25Å; D129-Q133 WeakPolarHBondContact O-CG 3.47Å; D129-Q133 PolarHBondContact O-N 3.44Å |
| 130 | L | 87.3 | Confident | 79.8 | Confident | 89 Ų | 89 | 110 Ų | 110 | 47% | 0.466 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.4 | -36.7 | 177.2 | -74 | 171.9 | 0 | 0 | 0 | 112.1 | I126 I127 S128 I134 | I126-L130 HydrophobicContact CG2-CD1 4.07Å; I126-L130 WeakPolarHBondContact O-CB 3.45Å; I126-L130 VanDerWaalsContact O-CG 3.23Å; I126-L130 WeakPolarHBondContact O-CG 3.41Å; I126-L130 PolarHBondContact O-N 3.48Å; I127-L130 PolarHBondContact O-N 3.48Å; S128-L130 VanDerWaalsContact C-N 3.33Å; S128-L130 PolarHBondContact O-N 2.87Å; L130-I134 WeakPolarHBondContact O-CB 3.37Å; L130-I134 WeakPolarHBondContact O-CD1 3.39Å; L130-I134 WeakPolarHBondContact O-CG1 3.44Å; L130-I134 PolarHBondContact O-N 3.35Å |
| 131 | Q | 86.3 | Confident | 81.8 | Confident | 128 Ų | 128 | 103.3 Ų | 103.3 | 60% | 0.598 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.1 | -36.5 | 178.1 | -171.2 | 169 | -14.9 | 0 | 0 | 112 | I127 S128 D129 S135 | I127-Q131 WeakPolarHBondContact O-CB 3.27Å; I127-Q131 PolarHBondContact O-N 3.39Å; S128-Q131 PolarHBondContact O-N 2.74Å; S128-Q131 VanDerWaalsContact O-N 3.16Å; D129-Q131 VanDerWaalsContact C-N 3.33Å; D129-Q131 PolarHBondContact O-N 3.47Å; Q131-S135 WeakPolarHBondContact O-CB 3.5Å; Q131-S135 PolarHBondContact O-N 2.87Å; Q131-S135 PolarHBondContact O-OG 3.38Å |
| 132 | E | 89.1 | Confident | 84.5 | Confident | 109 Ų | 109 | 98.7 Ų | 98.7 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.8 | -48.3 | 170.8 | -176 | 167.6 | -158.1 | 0 | 0 | 110.7 | S128 D129 I134 S135 E136 | S128-E132 WeakPolarHBondContact O-CB 3.46Å; S128-E132 PolarHBondContact O-N 3.24Å; D129-E132 PolarHBondContact O-N 3.21Å; E132-I134 VanDerWaalsContact C-N 3.32Å; E132-I134 PolarHBondContact O-N 3.03Å; E132-S135 CarbonylContact O-C 3.57Å; E132-S135 WeakPolarHBondContact O-CA 3.41Å; E132-S135 WeakPolarHBondContact O-CB 3.05Å; E132-S135 PolarHBondContact O-N 3.4Å; E132-E136 HydrophobicContact CG-CG 4.46Å; E132-E136 WeakPolarHBondContact O-CG 3.43Å; E132-E136 PolarHBondContact O-N 3.03Å |
| 133 | Q | 92.4 | Very high | 86.4 | Confident | 103 Ų | 103 | 99.4 Ų | 99.4 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.4 | -42.5 | 174.4 | -76.2 | 176.1 | 17.7 | 0 | 0 | 112.3 | D129 S135 L137 | D129-Q133 WeakPolarHBondContact O-CB 3.39Å; D129-Q133 VanDerWaalsContact O-CG 3.25Å; D129-Q133 WeakPolarHBondContact O-CG 3.47Å; D129-Q133 PolarHBondContact O-N 3.44Å; Q133-S135 VanDerWaalsContact C-N 3.31Å; Q133-S135 PolarHBondContact O-N 3.01Å; Q133-L137 VanDerWaalsContact O-CB 3.23Å; Q133-L137 WeakPolarHBondContact O-CB 3.44Å; Q133-L137 WeakPolarHBondContact O-CG 3.43Å; Q133-L137 PolarHBondContact O-N 3.42Å |
| 134 | I | 90.4 | Very high | 88 | Confident | 105 Ų | 105 | 94.7 Ų | 94.7 | 54% | 0.538 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 174.9 | -71.9 | 164.1 | 0 | 0 | 0 | 110.6 | L130 E132 T138 | L130-I134 WeakPolarHBondContact O-CB 3.37Å; L130-I134 WeakPolarHBondContact O-CD1 3.39Å; L130-I134 WeakPolarHBondContact O-CG1 3.44Å; L130-I134 PolarHBondContact O-N 3.35Å; E132-I134 VanDerWaalsContact C-N 3.32Å; E132-I134 PolarHBondContact O-N 3.03Å; I134-T138 VanDerWaalsContact O-CB 3.29Å; I134-T138 WeakPolarHBondContact O-CB 3.49Å; I134-T138 PolarHBondContact O-N 3.17Å; I134-T138 PolarHBondContact O-OG1 3.11Å |
| 135 | S | 92.1 | Very high | 89.3 | Confident | 70 Ų | 70 | 93.5 Ų | 93.5 | 49% | 0.49 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.1 | -44.2 | 179.4 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | Q131 E132 Q133 T138 A139 | Q131-S135 WeakPolarHBondContact O-CB 3.5Å; Q131-S135 PolarHBondContact O-N 2.87Å; Q131-S135 PolarHBondContact O-OG 3.38Å; E132-S135 CarbonylContact O-C 3.57Å; E132-S135 WeakPolarHBondContact O-CA 3.41Å; E132-S135 WeakPolarHBondContact O-CB 3.05Å; E132-S135 PolarHBondContact O-N 3.4Å; Q133-S135 VanDerWaalsContact C-N 3.31Å; Q133-S135 PolarHBondContact O-N 3.01Å; S135-T138 PolarHBondContact O-N 2.72Å; S135-A139 WeakPolarHBondContact O-CB 3.48Å; S135-A139 PolarHBondContact O-N 2.78Å |
| 136 | E | 93.2 | Very high | 90.4 | Very high | 107 Ų | 107 | 94.2 Ų | 94.2 | 50% | 0.5 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 174.4 | -71.2 | -176.5 | 167.2 | 0 | 0 | 111.4 | E132 T138 A139 I140 | E132-E136 HydrophobicContact CG-CG 4.46Å; E132-E136 WeakPolarHBondContact O-CG 3.43Å; E132-E136 PolarHBondContact O-N 3.03Å; E136-T138 VanDerWaalsContact C-N 3.3Å; E136-T138 PolarHBondContact O-N 3.15Å; E136-A139 PolarHBondContact O-N 3Å; E136-I140 WeakPolarHBondContact O-CB 3.47Å; E136-I140 VanDerWaalsContact O-CG1 3.23Å; E136-I140 WeakPolarHBondContact O-CG1 3.47Å; E136-I140 PolarHBondContact O-N 3.42Å |
| 137 | L | 93.8 | Very high | 91.3 | Very high | 100 Ų | 100 | 93.4 Ų | 93.4 | 52% | 0.524 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.9 | -40.1 | 176.4 | -75.6 | 170.7 | 0 | 0 | 0 | 111.6 | Q133 I140 I141 | Q133-L137 VanDerWaalsContact O-CB 3.23Å; Q133-L137 WeakPolarHBondContact O-CB 3.44Å; Q133-L137 WeakPolarHBondContact O-CG 3.43Å; Q133-L137 PolarHBondContact O-N 3.42Å; L137-I140 PolarHBondContact O-N 3.44Å; L137-I141 WeakPolarHBondContact O-CB 3.48Å; L137-I141 VanDerWaalsContact O-CG1 3.23Å; L137-I141 WeakPolarHBondContact O-CG1 3.4Å; L137-I141 PolarHBondContact O-N 3.25Å |
| 138 | T | 92.1 | Very high | 92.1 | Very high | 65 Ų | 65 | 94.8 Ų | 94.8 | 40% | 0.399 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 176.3 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | I134 S135 E136 I140 I141 E142 | I134-T138 VanDerWaalsContact O-CB 3.29Å; I134-T138 WeakPolarHBondContact O-CB 3.49Å; I134-T138 PolarHBondContact O-N 3.17Å; I134-T138 PolarHBondContact O-OG1 3.11Å; S135-T138 PolarHBondContact O-N 2.72Å; E136-T138 VanDerWaalsContact C-N 3.3Å; E136-T138 PolarHBondContact O-N 3.15Å; T138-I140 VanDerWaalsContact C-N 3.33Å; T138-I140 PolarHBondContact O-N 2.89Å; T138-I141 PolarHBondContact O-N 3.1Å; T138-E142 WeakPolarHBondContact O-CG 3.43Å; T138-E142 PolarHBondContact O-N 2.72Å |
| 139 | A | 93.8 | Very high | 92.6 | Very high | 53 Ų | 53 | 97.5 Ų | 97.5 | 44% | 0.438 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62 | -40.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S135 E136 Q143 | S135-A139 WeakPolarHBondContact O-CB 3.48Å; S135-A139 PolarHBondContact O-N 2.78Å; E136-A139 PolarHBondContact O-N 3Å; A139-Q143 VanDerWaalsContact O-CB 3.26Å; A139-Q143 WeakPolarHBondContact O-CB 3.49Å; A139-Q143 PolarHBondContact O-N 3.38Å |
| 140 | I | 94.3 | Very high | 93.2 | Very high | 105 Ų | 105 | 96.2 Ų | 96.2 | 54% | 0.538 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 174.7 | -69 | 165.1 | 0 | 0 | 0 | 110.7 | E136 L137 T138 Q143 M144 | E136-I140 WeakPolarHBondContact O-CB 3.47Å; E136-I140 VanDerWaalsContact O-CG1 3.23Å; E136-I140 WeakPolarHBondContact O-CG1 3.47Å; E136-I140 PolarHBondContact O-N 3.42Å; L137-I140 PolarHBondContact O-N 3.44Å; T138-I140 VanDerWaalsContact C-N 3.33Å; T138-I140 PolarHBondContact O-N 2.89Å; I140-Q143 PolarHBondContact O-N 2.96Å; I140-M144 VanDerWaalsContact O-CB 3.29Å; I140-M144 WeakPolarHBondContact O-CB 3.49Å; I140-M144 PolarHBondContact O-N 3.46Å |
| 141 | I | 94.1 | Very high | 93.6 | Very high | 88 Ų | 88 | 94.6 Ų | 94.6 | 45% | 0.451 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 178.5 | -71.2 | 165.1 | 0 | 0 | 0 | 111 | L137 T138 M144 N145 | L137-I141 WeakPolarHBondContact O-CB 3.48Å; L137-I141 VanDerWaalsContact O-CG1 3.23Å; L137-I141 WeakPolarHBondContact O-CG1 3.4Å; L137-I141 PolarHBondContact O-N 3.25Å; T138-I141 PolarHBondContact O-N 3.1Å; I141-M144 PolarHBondContact O-N 3.4Å; I141-N145 WeakPolarHBondContact O-CB 3.48Å; I141-N145 VanDerWaalsContact O-CG 3.27Å; I141-N145 PolarHBondContact O-N 2.92Å; I141-N145 PolarHBondContact O-ND2 3.21Å |
| 142 | E | 94.2 | Very high | 94 | Very high | 100 Ų | 100 | 94.3 Ų | 94.3 | 47% | 0.467 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 177.3 | -72.8 | -178.1 | 180 | 0 | 0 | 112.4 | T138 N145 R146 | T138-E142 WeakPolarHBondContact O-CG 3.43Å; T138-E142 PolarHBondContact O-N 2.72Å; E142-N145 PolarHBondContact O-N 3.22Å; E142-R146 WeakPolarHBondContact O-CG 3.43Å; E142-R146 PolarHBondContact O-N 3.28Å; E142-R146 IonicContact OE2-NH1 2.84Å |
| 143 | Q | 94.3 | Very high | 94.3 | Very high | 81 Ų | 81 | 96 Ų | 96 | 38% | 0.379 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -47.3 | 174.8 | -175.6 | 57.2 | 36.8 | 0 | 0 | 110.9 | A139 I140 N145 R146 D147 | A139-Q143 VanDerWaalsContact O-CB 3.26Å; A139-Q143 WeakPolarHBondContact O-CB 3.49Å; A139-Q143 PolarHBondContact O-N 3.38Å; I140-Q143 PolarHBondContact O-N 2.96Å; Q143-N145 VanDerWaalsContact C-N 3.29Å; Q143-N145 PolarHBondContact O-N 3.23Å; Q143-R146 PolarHBondContact O-N 3.37Å; Q143-R146 VanDerWaalsContact O-N 3.16Å; Q143-D147 VanDerWaalsContact NE2-CG 3.28Å; Q143-D147 PolarHBondContact NE2-OD1 3.07Å; Q143-D147 PolarHBondContact NE2-OD2 2.97Å; Q143-D147 WeakPolarHBondContact O-CB 3.45Å; Q143-D147 VanDerWaalsContact O-CG 3.31Å; Q143-D147 PolarHBondContact O-N 2.99Å |
| 144 | M | 94.4 | Very high | 94.5 | Very high | 114 Ų | 114 | 96.5 Ų | 96.5 | 56% | 0.562 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.7 | -39.5 | 176.4 | -173.1 | -178.4 | 68.1 | 0 | 0 | 111.7 | I140 I141 D147 H148 | I140-M144 VanDerWaalsContact O-CB 3.29Å; I140-M144 WeakPolarHBondContact O-CB 3.49Å; I140-M144 PolarHBondContact O-N 3.46Å; I141-M144 PolarHBondContact O-N 3.4Å; M144-D147 PolarHBondContact O-N 3.16Å; M144-H148 VanDerWaalsContact O-CB 3.23Å; M144-H148 WeakPolarHBondContact O-CB 3.37Å; M144-H148 PolarHBondContact O-N 3.11Å |
| 145 | N | 95.8 | Very high | 94.8 | Very high | 82 Ų | 82 | 96.7 Ų | 96.7 | 44% | 0.439 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 175.6 | -76.7 | -27 | 0 | 0 | 0 | 112.1 | I141 E142 Q143 H148 Q149 | I141-N145 WeakPolarHBondContact O-CB 3.48Å; I141-N145 VanDerWaalsContact O-CG 3.27Å; I141-N145 PolarHBondContact O-N 2.92Å; I141-N145 PolarHBondContact O-ND2 3.21Å; E142-N145 PolarHBondContact O-N 3.22Å; Q143-N145 VanDerWaalsContact C-N 3.29Å; Q143-N145 PolarHBondContact O-N 3.23Å; N145-H148 PolarHBondContact O-N 2.96Å; N145-Q149 WeakPolarHBondContact O-CB 3.29Å; N145-Q149 VanDerWaalsContact O-CG 3.28Å; N145-Q149 WeakPolarHBondContact O-CG 3.23Å; N145-Q149 PolarHBondContact O-N 2.99Å |
| 146 | R | 95.1 | Very high | 95 | Very high | 122 Ų | 122 | 96.2 Ų | 96.2 | 46% | 0.46 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 174.8 | -74 | -173.7 | -66.3 | -94.3 | 2.3 | 111.6 | E142 Q143 Q149 S150 | E142-R146 WeakPolarHBondContact O-CG 3.43Å; E142-R146 PolarHBondContact O-N 3.28Å; E142-R146 IonicContact OE2-NH1 2.84Å; Q143-R146 PolarHBondContact O-N 3.37Å; Q143-R146 VanDerWaalsContact O-N 3.16Å; R146-Q149 PolarHBondContact O-N 3.17Å; R146-S150 WeakPolarHBondContact O-CB 3.36Å; R146-S150 PolarHBondContact O-N 2.92Å |
| 147 | D | 95.9 | Very high | 95.2 | Very high | 87 Ų | 87 | 95.2 Ų | 95.2 | 47% | 0.465 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.2 | -40.7 | 179.6 | -68.2 | -22.9 | 0 | 0 | 0 | 111.2 | Q143 M144 S150 A151 | Q143-D147 VanDerWaalsContact NE2-CG 3.28Å; Q143-D147 PolarHBondContact NE2-OD1 3.07Å; Q143-D147 PolarHBondContact NE2-OD2 2.97Å; Q143-D147 WeakPolarHBondContact O-CB 3.45Å; Q143-D147 VanDerWaalsContact O-CG 3.31Å; Q143-D147 PolarHBondContact O-N 2.99Å; M144-D147 PolarHBondContact O-N 3.16Å; D147-S150 PolarHBondContact O-N 3.49Å; D147-A151 VanDerWaalsContact O-CB 3.31Å; D147-A151 WeakPolarHBondContact O-CB 3.45Å; D147-A151 PolarHBondContact O-N 2.96Å |
| 148 | H | 95.5 | Very high | 95.3 | Very high | 119 Ų | 119 | 94.3 Ų | 94.3 | 55% | 0.551 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.6 | -46.9 | 174.6 | -176.4 | 68.1 | 0 | 0 | 0 | 111.9 | M144 N145 S150 A151 Q152 | M144-H148 VanDerWaalsContact O-CB 3.23Å; M144-H148 WeakPolarHBondContact O-CB 3.37Å; M144-H148 PolarHBondContact O-N 3.11Å; N145-H148 PolarHBondContact O-N 2.96Å; H148-S150 VanDerWaalsContact C-N 3.34Å; H148-S150 PolarHBondContact O-N 2.85Å; H148-A151 PolarHBondContact O-N 3.49Å; H148-Q152 VanDerWaalsContact O-CB 3.28Å; H148-Q152 WeakPolarHBondContact O-CB 3.36Å; H148-Q152 PolarHBondContact O-N 3.01Å |
| 149 | Q | 95.6 | Very high | 95.5 | Very high | 127 Ų | 127 | 95.8 Ų | 95.8 | 59% | 0.593 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.8 | -40.6 | 176.5 | -73.4 | 175.7 | 3.9 | 0 | 0 | 112.1 | N145 R146 Q152 K153 | N145-Q149 WeakPolarHBondContact O-CB 3.29Å; N145-Q149 VanDerWaalsContact O-CG 3.28Å; N145-Q149 WeakPolarHBondContact O-CG 3.23Å; N145-Q149 PolarHBondContact O-N 2.99Å; R146-Q149 PolarHBondContact O-N 3.17Å; Q149-Q152 PolarHBondContact O-N 3.14Å; Q149-K153 WeakPolarHBondContact O-CB 3.35Å; Q149-K153 PolarHBondContact O-N 3.32Å |
| 150 | S | 96.6 | Very high | 95.6 | Very high | 66 Ų | 66 | 98 Ų | 98 | 46% | 0.462 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.5 | -48.6 | 175.5 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | R146 D147 H148 Q152 K153 L154 | R146-S150 WeakPolarHBondContact O-CB 3.36Å; R146-S150 PolarHBondContact O-N 2.92Å; D147-S150 PolarHBondContact O-N 3.49Å; H148-S150 VanDerWaalsContact C-N 3.34Å; H148-S150 PolarHBondContact O-N 2.85Å; S150-Q152 PolarHBondContact O-N 2.85Å; S150-K153 PolarHBondContact O-N 3.07Å; S150-L154 WeakPolarHBondContact O-CG 3.41Å; S150-L154 PolarHBondContact O-N 3.46Å |
| 151 | A | 95.8 | Very high | 95.8 | Very high | 55 Ų | 55 | 97.2 Ų | 97.2 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D147 H148 K153 L154 L155 | D147-A151 VanDerWaalsContact O-CB 3.31Å; D147-A151 WeakPolarHBondContact O-CB 3.45Å; D147-A151 PolarHBondContact O-N 2.96Å; H148-A151 PolarHBondContact O-N 3.49Å; A151-K153 PolarHBondContact O-N 3.2Å; A151-L154 PolarHBondContact O-N 2.91Å; A151-L155 VanDerWaalsContact O-CB 3.31Å; A151-L155 WeakPolarHBondContact O-CB 3.31Å; A151-L155 PolarHBondContact O-N 3.44Å |
| 152 | Q | 95.3 | Very high | 95.9 | Very high | 122 Ų | 122 | 100 Ų | 100 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.4 | -43.6 | 175.4 | -174 | -177.5 | 12.5 | 0 | 0 | 111.4 | H148 Q149 S150 L155 S156 | H148-Q152 VanDerWaalsContact O-CB 3.28Å; H148-Q152 WeakPolarHBondContact O-CB 3.36Å; H148-Q152 PolarHBondContact O-N 3.01Å; Q149-Q152 PolarHBondContact O-N 3.14Å; S150-Q152 PolarHBondContact O-N 2.85Å; Q152-L155 PolarHBondContact O-N 3.5Å; Q152-S156 WeakPolarHBondContact O-CB 3.25Å; Q152-S156 PolarHBondContact O-N 3.5Å |
| 153 | K | 96.4 | Very high | 96 | Very high | 144 Ų | 144 | 98.5 Ų | 98.5 | 63% | 0.626 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.3 | -43.4 | 177.5 | -172.6 | 177.8 | -178.7 | -179.8 | 0 | 112 | Q149 S150 A151 L155 S156 N157 | Q149-K153 WeakPolarHBondContact O-CB 3.35Å; Q149-K153 PolarHBondContact O-N 3.32Å; S150-K153 PolarHBondContact O-N 3.07Å; A151-K153 PolarHBondContact O-N 3.2Å; K153-L155 VanDerWaalsContact C-N 3.34Å; K153-S156 PolarHBondContact O-N 3.02Å; K153-N157 VanDerWaalsContact O-CG 3.25Å; K153-N157 PolarHBondContact O-N 2.85Å; K153-N157 PolarHBondContact O-ND2 3.01Å |
| 154 | L | 96.6 | Very high | 96.1 | Very high | 115 Ų | 115 | 97.3 Ų | 97.3 | 60% | 0.602 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.2 | -45.1 | 174.6 | -76.2 | 174.2 | 0 | 0 | 0 | 111.3 | S150 A151 N157 E158 | S150-L154 WeakPolarHBondContact O-CG 3.41Å; S150-L154 PolarHBondContact O-N 3.46Å; A151-L154 PolarHBondContact O-N 2.91Å; L154-N157 PolarHBondContact O-N 3.44Å; L154-E158 PolarHBondContact O-N 3.41Å |
| 155 | L | 96 | Very high | 96.2 | Very high | 108 Ų | 108 | 96.3 Ų | 96.3 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.8 | -42.5 | 176.7 | -175 | 63.9 | 0 | 0 | 0 | 111.6 | A151 Q152 K153 E158 M159 | A151-L155 VanDerWaalsContact O-CB 3.31Å; A151-L155 WeakPolarHBondContact O-CB 3.31Å; A151-L155 PolarHBondContact O-N 3.44Å; Q152-L155 PolarHBondContact O-N 3.5Å; K153-L155 VanDerWaalsContact C-N 3.34Å; L155-E158 PolarHBondContact O-N 2.96Å; L155-M159 HydrophobicContact CD1-CE 4.24Å; L155-M159 VanDerWaalsContact O-CG 3.29Å; L155-M159 WeakPolarHBondContact O-CG 3.44Å; L155-M159 PolarHBondContact O-N 3.28Å |
| 156 | S | 96.3 | Very high | 96.3 | Very high | 61 Ų | 61 | 99.4 Ų | 99.4 | 43% | 0.427 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59 | -47.7 | 175.2 | -168.2 | 0 | 0 | 0 | 0 | 111.6 | Q152 K153 E158 M159 D160 | Q152-S156 WeakPolarHBondContact O-CB 3.25Å; Q152-S156 PolarHBondContact O-N 3.5Å; K153-S156 PolarHBondContact O-N 3.02Å; S156-E158 PolarHBondContact O-N 3.33Å; S156-M159 PolarHBondContact O-N 2.91Å; S156-D160 PolarHBondContact O-N 2.91Å |
| 157 | N | 96.7 | Very high | 96.3 | Very high | 86 Ų | 86 | 100.2 Ų | 100.2 | 46% | 0.46 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 179.5 | -68.7 | -16 | 0 | 0 | 0 | 112.3 | K153 L154 D160 L161 | K153-N157 VanDerWaalsContact O-CG 3.25Å; K153-N157 PolarHBondContact O-N 2.85Å; K153-N157 PolarHBondContact O-ND2 3.01Å; L154-N157 PolarHBondContact O-N 3.44Å; N157-D160 PolarHBondContact O-N 3.05Å; N157-L161 WeakPolarHBondContact O-CB 3.42Å; N157-L161 PolarHBondContact O-N 3.18Å |
| 158 | E | 96.9 | Very high | 96.4 | Very high | 81 Ų | 81 | 101.6 Ų | 101.6 | 38% | 0.379 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 174.8 | 177.7 | 62.2 | -157.4 | 0 | 0 | 111.1 | L154 L155 S156 D160 L161 R162 | L154-E158 PolarHBondContact O-N 3.41Å; L155-E158 PolarHBondContact O-N 2.96Å; S156-E158 PolarHBondContact O-N 3.33Å; E158-D160 PolarHBondContact O-N 3.39Å; E158-L161 PolarHBondContact O-N 2.87Å; E158-R162 WeakPolarHBondContact O-CB 3.48Å; E158-R162 VanDerWaalsContact O-CG 3.25Å; E158-R162 WeakPolarHBondContact O-CG 3.43Å; E158-R162 PolarHBondContact O-N 3.33Å; E158-R162 IonicContact OE1-CZ 3.07Å; E158-R162 IonicContact OE1-NE 3.69Å; E158-R162 PolarHBondContact OE1-NE 3.37Å; E158-R162 VanDerWaalsContact OE1-NE 3.07Å |
| 159 | M | 95.9 | Very high | 96.5 | Very high | 96 Ų | 96 | 99.7 Ų | 99.7 | 47% | 0.473 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 175.6 | -70.7 | -57.4 | 100.8 | 0 | 0 | 112 | L155 S156 R162 C163 | L155-M159 HydrophobicContact CD1-CE 4.24Å; L155-M159 VanDerWaalsContact O-CG 3.29Å; L155-M159 WeakPolarHBondContact O-CG 3.44Å; L155-M159 PolarHBondContact O-N 3.28Å; S156-M159 PolarHBondContact O-N 2.91Å; M159-R162 PolarHBondContact O-N 2.9Å; M159-C163 WeakPolarHBondContact O-CB 3.34Å; M159-C163 PolarHBondContact O-N 2.88Å; M159-C163 PolarHBondContact O-SG 2.74Å |
| 160 | D | 96.8 | Very high | 96.6 | Very high | 100 Ų | 100 | 100.7 Ų | 100.7 | 54% | 0.535 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 176.1 | -72.1 | -32.3 | 0 | 0 | 0 | 111.6 | S156 N157 E158 C163 A164 | S156-D160 PolarHBondContact O-N 2.91Å; N157-D160 PolarHBondContact O-N 3.05Å; E158-D160 PolarHBondContact O-N 3.39Å; D160-C163 PolarHBondContact O-N 3.43Å; D160-A164 WeakPolarHBondContact O-CB 3.46Å; D160-A164 PolarHBondContact O-N 2.85Å |
| 161 | L | 97.1 | Very high | 96.6 | Very high | 88 Ų | 88 | 103 Ų | 103 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.7 | -49 | 175.1 | -175.2 | 68.9 | 0 | 0 | 0 | 110.9 | N157 E158 C163 A164 E165 | N157-L161 WeakPolarHBondContact O-CB 3.42Å; N157-L161 PolarHBondContact O-N 3.18Å; E158-L161 PolarHBondContact O-N 2.87Å; L161-C163 VanDerWaalsContact C-N 3.29Å; L161-C163 PolarHBondContact O-N 3.5Å; L161-A164 PolarHBondContact O-N 2.95Å; L161-A164 VanDerWaalsContact O-N 3.12Å; L161-E165 WeakPolarHBondContact O-CG 3.37Å; L161-E165 PolarHBondContact O-N 2.88Å |
| 162 | R | 96.6 | Very high | 96.7 | Very high | 145 Ų | 145 | 103 Ų | 103 | 55% | 0.547 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.4 | -40 | 176.1 | -72.1 | -66.8 | -170.9 | 160.1 | 6 | 112.3 | E158 M159 M166 | E158-R162 WeakPolarHBondContact O-CB 3.48Å; E158-R162 VanDerWaalsContact O-CG 3.25Å; E158-R162 WeakPolarHBondContact O-CG 3.43Å; E158-R162 PolarHBondContact O-N 3.33Å; E158-R162 IonicContact OE1-CZ 3.07Å; E158-R162 IonicContact OE1-NE 3.69Å; E158-R162 PolarHBondContact OE1-NE 3.37Å; E158-R162 VanDerWaalsContact OE1-NE 3.07Å; M159-R162 PolarHBondContact O-N 2.9Å; R162-M166 WeakPolarHBondContact O-CB 3.36Å; R162-M166 PolarHBondContact O-N 3.49Å |
| 163 | C | 96 | Very high | 96.8 | Very high | 69 Ų | 69 | 103.1 Ų | 103.1 | 47% | 0.466 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 175.3 | -72.4 | 0 | 0 | 0 | 0 | 111.9 | M159 D160 L161 K167 | M159-C163 WeakPolarHBondContact O-CB 3.34Å; M159-C163 PolarHBondContact O-N 2.88Å; M159-C163 PolarHBondContact O-SG 2.74Å; D160-C163 PolarHBondContact O-N 3.43Å; L161-C163 VanDerWaalsContact C-N 3.29Å; L161-C163 PolarHBondContact O-N 3.5Å; C163-K167 WeakPolarHBondContact O-CB 3.42Å; C163-K167 VanDerWaalsContact O-CG 3.28Å; C163-K167 WeakPolarHBondContact O-CG 3.34Å; C163-K167 PolarHBondContact O-N 2.85Å; C163-K167 VanDerWaalsContact O-N 3.08Å |
| 164 | A | 96.9 | Very high | 96.8 | Very high | 56 Ų | 56 | 99.3 Ų | 99.3 | 46% | 0.463 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.7 | -46.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D160 L161 M166 K167 Q168 | D160-A164 WeakPolarHBondContact O-CB 3.46Å; D160-A164 PolarHBondContact O-N 2.85Å; L161-A164 PolarHBondContact O-N 2.95Å; L161-A164 VanDerWaalsContact O-N 3.12Å; A164-M166 PolarHBondContact O-N 3.41Å; A164-K167 PolarHBondContact O-N 2.92Å; A164-Q168 WeakPolarHBondContact O-CB 3.46Å; A164-Q168 PolarHBondContact O-N 3.37Å |
| 165 | E | 96.8 | Very high | 96.9 | Very high | 94 Ų | 94 | 100.3 Ų | 100.3 | 44% | 0.439 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.9 | -44.9 | 175.6 | -74.7 | -178.7 | 173.1 | 0 | 0 | 111.8 | L161 Q168 N169 | L161-E165 WeakPolarHBondContact O-CG 3.37Å; L161-E165 PolarHBondContact O-N 2.88Å; E165-Q168 PolarHBondContact O-N 3.28Å; E165-N169 VanDerWaalsContact O-CB 3.31Å; E165-N169 WeakPolarHBondContact O-CB 3.44Å; E165-N169 PolarHBondContact O-N 3.39Å |
| 166 | M | 96.8 | Very high | 96.9 | Very high | 146 Ų | 146 | 101 Ų | 101 | 72% | 0.719 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.4 | -42.2 | 179.2 | -174.9 | 175 | -72.6 | 0 | 0 | 111.8 | R162 A164 N169 F170 | R162-M166 WeakPolarHBondContact O-CB 3.36Å; R162-M166 PolarHBondContact O-N 3.49Å; A164-M166 PolarHBondContact O-N 3.41Å; M166-N169 PolarHBondContact O-N 2.93Å; M166-F170 PolarHBondContact O-N 2.86Å |
| 167 | K | 96.8 | Very high | 97 | Very high | 140 Ų | 140 | 102.6 Ų | 102.6 | 61% | 0.609 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.4 | -48.3 | 174.8 | -75.5 | 173 | -177 | 177.1 | 0 | 111.3 | C163 A164 N169 F170 E171 | C163-K167 WeakPolarHBondContact O-CB 3.42Å; C163-K167 VanDerWaalsContact O-CG 3.28Å; C163-K167 WeakPolarHBondContact O-CG 3.34Å; C163-K167 PolarHBondContact O-N 2.85Å; C163-K167 VanDerWaalsContact O-N 3.08Å; A164-K167 PolarHBondContact O-N 2.92Å; K167-N169 VanDerWaalsContact C-N 3.33Å; K167-N169 PolarHBondContact O-N 3.48Å; K167-F170 PolarHBondContact O-N 3.44Å; K167-E171 WeakPolarHBondContact O-CG 3.48Å; K167-E171 PolarHBondContact O-N 3.41Å |
| 168 | Q | 97.1 | Very high | 97 | Very high | 116 Ų | 116 | 104.6 Ų | 104.6 | 54% | 0.542 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 178.7 | -170.8 | -178 | 15.9 | 0 | 0 | 111.9 | A164 E165 E171 N172 | A164-Q168 WeakPolarHBondContact O-CB 3.46Å; A164-Q168 PolarHBondContact O-N 3.37Å; E165-Q168 PolarHBondContact O-N 3.28Å; Q168-E171 PolarHBondContact O-N 3.35Å; Q168-N172 WeakPolarHBondContact O-CB 3.47Å; Q168-N172 PolarHBondContact O-N 2.91Å |
| 169 | N | 97.4 | Very high | 97 | Very high | 78 Ų | 78 | 106.1 Ų | 106.1 | 42% | 0.417 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 176.3 | -170 | -47.3 | 0 | 0 | 0 | 111.5 | E165 M166 K167 N172 K173 | E165-N169 VanDerWaalsContact O-CB 3.31Å; E165-N169 WeakPolarHBondContact O-CB 3.44Å; E165-N169 PolarHBondContact O-N 3.39Å; M166-N169 PolarHBondContact O-N 2.93Å; K167-N169 VanDerWaalsContact C-N 3.33Å; K167-N169 PolarHBondContact O-N 3.48Å; N169-N172 PolarHBondContact O-N 2.69Å; N169-K173 WeakPolarHBondContact O-CB 3.46Å; N169-K173 WeakPolarHBondContact O-CG 3.49Å; N169-K173 PolarHBondContact O-N 3.29Å; N169-K173 VanDerWaalsContact OD1-CD 3.28Å; N169-K173 WeakPolarHBondContact OD1-CD 3.43Å; N169-K173 WeakPolarHBondContact OD1-CE 3.39Å; N169-K173 PolarHBondContact OD1-NZ 3.36Å |
| 170 | F | 96.8 | Very high | 97.1 | Very high | 148 Ų | 148 | 103.7 Ų | 103.7 | 65% | 0.649 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.2 | -44.8 | 175.8 | -178.5 | -95.4 | 0 | 0 | 0 | 111.8 | M166 K167 K173 N174 | M166-F170 PolarHBondContact O-N 2.86Å; K167-F170 PolarHBondContact O-N 3.44Å; F170-K173 PolarHBondContact O-N 2.97Å; F170-N174 VanDerWaalsContact O-CB 3.25Å; F170-N174 WeakPolarHBondContact O-CB 2.84Å; F170-N174 PolarHBondContact O-N 2.89Å |
| 171 | E | 97.6 | Very high | 97.1 | Very high | 115 Ų | 115 | 103.8 Ų | 103.8 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -43.8 | 176.8 | -73.9 | 175.3 | -173.9 | 0 | 0 | 112.3 | K167 Q168 N174 R175 | K167-E171 WeakPolarHBondContact O-CG 3.48Å; K167-E171 PolarHBondContact O-N 3.41Å; Q168-E171 PolarHBondContact O-N 3.35Å; E171-N174 PolarHBondContact O-N 3.29Å; E171-R175 WeakPolarHBondContact O-CB 3.42Å; E171-R175 PolarHBondContact O-N 2.87Å |
| 172 | N | 97.4 | Very high | 97.2 | Very high | 55 Ų | 55 | 106.3 Ų | 106.3 | 29% | 0.294 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63 | -49.5 | 177.2 | -72.3 | -12.5 | 0 | 0 | 0 | 111.2 | Q168 N169 N174 R175 E176 | Q168-N172 WeakPolarHBondContact O-CB 3.47Å; Q168-N172 PolarHBondContact O-N 2.91Å; N169-N172 PolarHBondContact O-N 2.69Å; N172-N174 VanDerWaalsContact C-N 3.3Å; N172-N174 PolarHBondContact O-N 3.21Å; N172-R175 WeakPolarHBondContact O-CB 3.33Å; N172-R175 PolarHBondContact O-N 2.94Å; N172-R175 VanDerWaalsContact O-N 3.08Å; N172-E176 WeakPolarHBondContact O-CG 3.43Å; N172-E176 PolarHBondContact O-N 2.85Å |
| 173 | K | 97.4 | Very high | 97.2 | Very high | 125 Ų | 125 | 102.3 Ų | 102.3 | 54% | 0.543 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60 | -39.9 | 176.6 | -77.4 | 176.6 | 175.5 | 154.3 | 0 | 112.6 | N169 F170 R175 L177 | N169-K173 WeakPolarHBondContact O-CB 3.46Å; N169-K173 WeakPolarHBondContact O-CG 3.49Å; N169-K173 PolarHBondContact O-N 3.29Å; N169-K173 VanDerWaalsContact OD1-CD 3.28Å; N169-K173 WeakPolarHBondContact OD1-CD 3.43Å; N169-K173 WeakPolarHBondContact OD1-CE 3.39Å; N169-K173 PolarHBondContact OD1-NZ 3.36Å; F170-K173 PolarHBondContact O-N 2.97Å; K173-R175 VanDerWaalsContact C-N 3.31Å; K173-L177 VanDerWaalsContact O-CB 3.27Å; K173-L177 WeakPolarHBondContact O-CB 3.38Å; K173-L177 PolarHBondContact O-N 3.49Å |
| 174 | N | 97.1 | Very high | 97.3 | Very high | 64 Ų | 64 | 105.1 Ų | 105.1 | 34% | 0.342 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.9 | -34.6 | 177.1 | -172.5 | 46 | 0 | 0 | 0 | 111.7 | F170 E171 N172 K178 | F170-N174 VanDerWaalsContact O-CB 3.25Å; F170-N174 WeakPolarHBondContact O-CB 2.84Å; F170-N174 PolarHBondContact O-N 2.89Å; E171-N174 PolarHBondContact O-N 3.29Å; N172-N174 VanDerWaalsContact C-N 3.3Å; N172-N174 PolarHBondContact O-N 3.21Å; N174-K178 VanDerWaalsContact O-CG 3.27Å; N174-K178 WeakPolarHBondContact O-CG 3.5Å; N174-K178 PolarHBondContact O-N 3.49Å |
| 175 | R | 97.7 | Very high | 97.3 | Very high | 135 Ų | 135 | 108.1 Ų | 108.1 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68 | -52.2 | 173.9 | -171.3 | -171.7 | -52.4 | 157.5 | 9.1 | 111.3 | E171 N172 K173 L177 K178 E179 | E171-R175 WeakPolarHBondContact O-CB 3.42Å; E171-R175 PolarHBondContact O-N 2.87Å; N172-R175 WeakPolarHBondContact O-CB 3.33Å; N172-R175 PolarHBondContact O-N 2.94Å; N172-R175 VanDerWaalsContact O-N 3.08Å; K173-R175 VanDerWaalsContact C-N 3.31Å; R175-L177 VanDerWaalsContact C-N 3.27Å; R175-L177 PolarHBondContact O-N 3.21Å; R175-K178 PolarHBondContact O-N 2.85Å; R175-K178 VanDerWaalsContact O-N 3.07Å; R175-E179 WeakPolarHBondContact CD-OE1 3.45Å; R175-E179 HydrophobicContact CG-CG 4.44Å; R175-E179 VanDerWaalsContact CG-OE1 3.29Å; R175-E179 WeakPolarHBondContact CG-OE1 3.22Å; R175-E179 WeakPolarHBondContact O-CG 3.44Å; R175-E179 PolarHBondContact O-N 3.32Å |
| 176 | E | 97.3 | Very high | 97.3 | Very high | 124 Ų | 124 | 106.4 Ų | 106.4 | 58% | 0.579 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -55.3 | -43.5 | 177.9 | -72.6 | 171 | -170 | 0 | 0 | 111.4 | N172 K178 E179 A180 | N172-E176 WeakPolarHBondContact O-CG 3.43Å; N172-E176 PolarHBondContact O-N 2.85Å; E176-K178 PolarHBondContact O-N 3.37Å; E176-E179 PolarHBondContact O-N 3.32Å; E176-A180 WeakPolarHBondContact O-CB 3.19Å; E176-A180 PolarHBondContact O-N 2.97Å |
| 177 | L | 97.1 | Very high | 97.4 | Very high | 93 Ų | 93 | 105.3 Ų | 105.3 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 177.4 | -174.3 | 65.6 | 0 | 0 | 0 | 112.2 | K173 R175 H181 | K173-L177 VanDerWaalsContact O-CB 3.27Å; K173-L177 WeakPolarHBondContact O-CB 3.38Å; K173-L177 PolarHBondContact O-N 3.49Å; R175-L177 VanDerWaalsContact C-N 3.27Å; R175-L177 PolarHBondContact O-N 3.21Å; L177-H181 VanDerWaalsContact CD1-NE2 3.35Å; L177-H181 WeakPolarHBondContact CD1-NE2 3.47Å; L177-H181 WeakPolarHBondContact O-CB 3.32Å; L177-H181 PolarHBondContact O-CD2 3.47Å; L177-H181 PolarHBondContact O-N 2.85Å |
| 178 | K | 97.3 | Very high | 97.4 | Very high | 129 Ų | 129 | 102.8 Ų | 102.8 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66 | -43.7 | 177.4 | -75.7 | 174.6 | -179.1 | -176.3 | 0 | 111.9 | N174 R175 E176 H181 E182 | N174-K178 VanDerWaalsContact O-CG 3.27Å; N174-K178 WeakPolarHBondContact O-CG 3.5Å; N174-K178 PolarHBondContact O-N 3.49Å; R175-K178 PolarHBondContact O-N 2.85Å; R175-K178 VanDerWaalsContact O-N 3.07Å; E176-K178 PolarHBondContact O-N 3.37Å; K178-H181 PolarHBondContact O-N 3.29Å; K178-E182 WeakPolarHBondContact O-CB 3.39Å; K178-E182 PolarHBondContact O-N 2.88Å |
| 179 | E | 97.6 | Very high | 97.4 | Very high | 113 Ų | 113 | 103.5 Ų | 103.5 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 177.4 | -71.9 | 173.6 | -172.3 | 0 | 0 | 111.3 | R175 E176 E182 A183 | R175-E179 WeakPolarHBondContact CD-OE1 3.45Å; R175-E179 HydrophobicContact CG-CG 4.44Å; R175-E179 VanDerWaalsContact CG-OE1 3.29Å; R175-E179 WeakPolarHBondContact CG-OE1 3.22Å; R175-E179 WeakPolarHBondContact O-CG 3.44Å; R175-E179 PolarHBondContact O-N 3.32Å; E176-E179 PolarHBondContact O-N 3.32Å; E179-E182 PolarHBondContact O-N 2.85Å; E179-A183 WeakPolarHBondContact O-CB 3.5Å; E179-A183 PolarHBondContact O-N 3.49Å |
| 180 | A | 97.5 | Very high | 97.4 | Very high | 45 Ų | 45 | 103.7 Ų | 103.7 | 37% | 0.372 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E176 E182 A183 E184 | E176-A180 WeakPolarHBondContact O-CB 3.19Å; E176-A180 PolarHBondContact O-N 2.97Å; A180-E182 VanDerWaalsContact C-N 3.35Å; A180-E182 PolarHBondContact O-N 3.45Å; A180-A183 PolarHBondContact O-N 2.87Å; A180-E184 WeakPolarHBondContact O-CG 3.41Å; A180-E184 PolarHBondContact O-N 3.49Å |
| 181 | H | 97.2 | Very high | 97.5 | Very high | 101 Ų | 101 | 100.5 Ų | 100.5 | 47% | 0.468 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 176.4 | -78.9 | -147.9 | 0 | 0 | 0 | 112.1 | L177 K178 L185 | L177-H181 VanDerWaalsContact CD1-NE2 3.35Å; L177-H181 WeakPolarHBondContact CD1-NE2 3.47Å; L177-H181 WeakPolarHBondContact O-CB 3.32Å; L177-H181 PolarHBondContact O-CD2 3.47Å; L177-H181 PolarHBondContact O-N 2.85Å; K178-H181 PolarHBondContact O-N 3.29Å; H181-L185 WeakPolarHBondContact O-CB 3.4Å; H181-L185 VanDerWaalsContact O-CG 3.27Å; H181-L185 WeakPolarHBondContact O-CG 3.48Å; H181-L185 PolarHBondContact O-N 2.91Å |
| 182 | E | 97.9 | Very high | 97.5 | Very high | 142 Ų | 142 | 102.8 Ų | 102.8 | 66% | 0.664 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.9 | -41.2 | 176.6 | -174.9 | 172 | -174.4 | 0 | 0 | 111.5 | K178 E179 A180 L185 S186 | K178-E182 WeakPolarHBondContact O-CB 3.39Å; K178-E182 PolarHBondContact O-N 2.88Å; E179-E182 PolarHBondContact O-N 2.85Å; A180-E182 VanDerWaalsContact C-N 3.35Å; A180-E182 PolarHBondContact O-N 3.45Å; E182-L185 PolarHBondContact O-N 3.19Å; E182-S186 WeakPolarHBondContact O-CB 3.44Å; E182-S186 PolarHBondContact O-N 3.28Å |
| 183 | A | 97.6 | Very high | 97.5 | Very high | 60 Ų | 60 | 105.6 Ų | 105.6 | 50% | 0.496 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.2 | -46.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E179 A180 L185 S186 E187 | E179-A183 WeakPolarHBondContact O-CB 3.5Å; E179-A183 PolarHBondContact O-N 3.49Å; A180-A183 PolarHBondContact O-N 2.87Å; A183-L185 PolarHBondContact O-N 2.96Å; A183-S186 PolarHBondContact O-N 3.28Å; A183-E187 WeakPolarHBondContact O-CB 3.33Å; A183-E187 PolarHBondContact O-N 2.92Å |
| 184 | E | 97.2 | Very high | 97.6 | Very high | 128 Ų | 128 | 103.7 Ų | 103.7 | 60% | 0.598 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.4 | -42 | 176.9 | -75.3 | -179.7 | -174.9 | 0 | 0 | 111.9 | A180 E187 L188 | A180-E184 WeakPolarHBondContact O-CG 3.41Å; A180-E184 PolarHBondContact O-N 3.49Å; E184-E187 PolarHBondContact O-N 3.43Å; E184-L188 VanDerWaalsContact O-CB 3.22Å; E184-L188 WeakPolarHBondContact O-CB 3.37Å; E184-L188 PolarHBondContact O-N 3.44Å |
| 185 | L | 97.4 | Very high | 97.6 | Very high | 119 Ų | 119 | 103.3 Ų | 103.3 | 62% | 0.623 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.7 | -42 | 176 | -74.4 | 174.3 | 0 | 0 | 0 | 111.7 | H181 E182 A183 L188 E189 | H181-L185 WeakPolarHBondContact O-CB 3.4Å; H181-L185 VanDerWaalsContact O-CG 3.27Å; H181-L185 WeakPolarHBondContact O-CG 3.48Å; H181-L185 PolarHBondContact O-N 2.91Å; E182-L185 PolarHBondContact O-N 3.19Å; A183-L185 PolarHBondContact O-N 2.96Å; L185-L188 PolarHBondContact O-N 3Å; L185-E189 WeakPolarHBondContact O-CB 3.35Å; L185-E189 PolarHBondContact O-N 2.95Å |
| 186 | S | 97.3 | Very high | 97.6 | Very high | 58 Ų | 58 | 101 Ų | 101 | 41% | 0.406 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.2 | -42.4 | 177.1 | -168.9 | 0 | 0 | 0 | 0 | 111.9 | E182 A183 E189 N190 | E182-S186 WeakPolarHBondContact O-CB 3.44Å; E182-S186 PolarHBondContact O-N 3.28Å; A183-S186 PolarHBondContact O-N 3.28Å; S186-E189 PolarHBondContact O-N 3.39Å; S186-N190 WeakPolarHBondContact O-CB 3.31Å; S186-N190 VanDerWaalsContact O-CG 3.27Å; S186-N190 PolarHBondContact O-N 2.92Å; S186-N190 PolarHBondContact O-ND2 3.02Å |
| 187 | E | 97.8 | Very high | 97.6 | Very high | 123 Ų | 123 | 101.1 Ų | 101.1 | 58% | 0.575 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63 | -46.3 | 175.6 | -171.5 | -177 | 167.8 | 0 | 0 | 111 | A183 E184 E189 N190 N191 | A183-E187 WeakPolarHBondContact O-CB 3.33Å; A183-E187 PolarHBondContact O-N 2.92Å; E184-E187 PolarHBondContact O-N 3.43Å; E187-E189 PolarHBondContact O-N 3.33Å; E187-N190 PolarHBondContact O-N 3.13Å; E187-N191 WeakPolarHBondContact O-CB 3.47Å; E187-N191 VanDerWaalsContact O-CG 3.26Å; E187-N191 PolarHBondContact O-N 2.85Å; E187-N191 PolarHBondContact O-ND2 2.85Å |
| 188 | L | 97.6 | Very high | 97.7 | Very high | 87 Ų | 87 | 99.6 Ų | 99.6 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 178.7 | -174 | 61.8 | 0 | 0 | 0 | 111.7 | E184 L185 N190 N191 Y192 | E184-L188 VanDerWaalsContact O-CB 3.22Å; E184-L188 WeakPolarHBondContact O-CB 3.37Å; E184-L188 PolarHBondContact O-N 3.44Å; L185-L188 PolarHBondContact O-N 3Å; L188-N190 VanDerWaalsContact C-N 3.34Å; L188-N190 PolarHBondContact O-N 3.05Å; L188-N191 PolarHBondContact O-N 3.37Å; L188-Y192 HydrophobicContact CD1-CD2 3.92Å; L188-Y192 HydrophobicContact CD1-CE2 3.44Å; L188-Y192 VanDerWaalsContact CD1-CE2 3.44Å; L188-Y192 HydrophobicContact CD2-CE2 4.12Å; L188-Y192 HydrophobicContact CG-CD2 3.84Å; L188-Y192 HydrophobicContact CG-CE2 3.57Å; L188-Y192 WeakPolarHBondContact O-CD2 3.35Å; L188-Y192 PolarHBondContact O-N 3.46Å |
| 189 | E | 97.8 | Very high | 97.7 | Very high | 132 Ų | 132 | 100.1 Ų | 100.1 | 62% | 0.617 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.6 | -45.3 | 175 | -174.3 | -176.5 | 173 | 0 | 0 | 111.2 | L185 S186 E187 N191 Y192 K193 | L185-E189 WeakPolarHBondContact O-CB 3.35Å; L185-E189 PolarHBondContact O-N 2.95Å; S186-E189 PolarHBondContact O-N 3.39Å; E187-E189 PolarHBondContact O-N 3.33Å; E189-N191 PolarHBondContact O-N 3.41Å; E189-Y192 PolarHBondContact O-N 3.32Å; E189-K193 VanDerWaalsContact O-CB 3.31Å; E189-K193 WeakPolarHBondContact O-CB 3.31Å; E189-K193 PolarHBondContact O-N 2.91Å |
| 190 | N | 97.8 | Very high | 97.7 | Very high | 82 Ų | 82 | 101.1 Ų | 101.1 | 44% | 0.439 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 177.7 | -76.5 | -41.2 | 0 | 0 | 0 | 111.8 | S186 E187 L188 K193 T194 | S186-N190 WeakPolarHBondContact O-CB 3.31Å; S186-N190 VanDerWaalsContact O-CG 3.27Å; S186-N190 PolarHBondContact O-N 2.92Å; S186-N190 PolarHBondContact O-ND2 3.02Å; E187-N190 PolarHBondContact O-N 3.13Å; L188-N190 VanDerWaalsContact C-N 3.34Å; L188-N190 PolarHBondContact O-N 3.05Å; N190-K193 PolarHBondContact O-N 3.02Å; N190-T194 WeakPolarHBondContact O-CG2 3.33Å; N190-T194 PolarHBondContact O-N 3.35Å; N190-T194 PolarHBondContact O-OG1 2.87Å |
| 191 | N | 97.8 | Very high | 97.7 | Very high | 81 Ų | 81 | 104.4 Ų | 104.4 | 43% | 0.433 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63 | -43 | 176.4 | -74 | -25.4 | 0 | 0 | 0 | 112.2 | E187 L188 E189 K193 T194 A195 | E187-N191 WeakPolarHBondContact O-CB 3.47Å; E187-N191 VanDerWaalsContact O-CG 3.26Å; E187-N191 PolarHBondContact O-N 2.85Å; E187-N191 PolarHBondContact O-ND2 2.85Å; L188-N191 PolarHBondContact O-N 3.37Å; E189-N191 PolarHBondContact O-N 3.41Å; N191-K193 VanDerWaalsContact C-N 3.33Å; N191-K193 PolarHBondContact O-N 3.41Å; N191-T194 WeakPolarHBondContact CA-OG1 3.37Å; N191-T194 PolarHBondContact O-N 2.91Å; N191-T194 PolarHBondContact O-OG1 3.35Å; N191-A195 VanDerWaalsContact O-CB 3.31Å; N191-A195 WeakPolarHBondContact O-CB 3.45Å; N191-A195 PolarHBondContact O-N 2.95Å |
| 192 | Y | 97.8 | Very high | 97.8 | Very high | 162 Ų | 162 | 102.3 Ų | 102.3 | 64% | 0.635 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.3 | -39.2 | 173.5 | -81.7 | -64.3 | 0 | 0 | 0 | 112 | L188 E189 L196 | L188-Y192 HydrophobicContact CD1-CD2 3.92Å; L188-Y192 HydrophobicContact CD1-CE2 3.44Å; L188-Y192 VanDerWaalsContact CD1-CE2 3.44Å; L188-Y192 HydrophobicContact CD2-CE2 4.12Å; L188-Y192 HydrophobicContact CG-CD2 3.84Å; L188-Y192 HydrophobicContact CG-CE2 3.57Å; L188-Y192 WeakPolarHBondContact O-CD2 3.35Å; L188-Y192 PolarHBondContact O-N 3.46Å; E189-Y192 PolarHBondContact O-N 3.32Å; Y192-L196 WeakPolarHBondContact O-CB 3.49Å; Y192-L196 PolarHBondContact O-N 3.11Å |
| 193 | K | 98.3 | Very high | 97.8 | Very high | 114 Ų | 114 | 98.4 Ų | 98.4 | 50% | 0.496 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.7 | -38.6 | 179.1 | -171 | 176.2 | -175.2 | 174.6 | 0 | 112.2 | E189 N190 N191 K197 | E189-K193 VanDerWaalsContact O-CB 3.31Å; E189-K193 WeakPolarHBondContact O-CB 3.31Å; E189-K193 PolarHBondContact O-N 2.91Å; N190-K193 PolarHBondContact O-N 3.02Å; N191-K193 VanDerWaalsContact C-N 3.33Å; N191-K193 PolarHBondContact O-N 3.41Å; K193-K197 VanDerWaalsContact O-CG 3.29Å; K193-K197 WeakPolarHBondContact O-CG 3.23Å; K193-K197 PolarHBondContact O-N 3.42Å |
| 194 | T | 97.9 | Very high | 97.8 | Very high | 85 Ų | 85 | 101.7 Ų | 101.7 | 52% | 0.521 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.6 | -45.5 | 175.7 | 54.2 | 0 | 0 | 0 | 0 | 111.1 | N190 N191 L196 K197 A198 | N190-T194 WeakPolarHBondContact O-CG2 3.33Å; N190-T194 PolarHBondContact O-N 3.35Å; N190-T194 PolarHBondContact O-OG1 2.87Å; N191-T194 WeakPolarHBondContact CA-OG1 3.37Å; N191-T194 PolarHBondContact O-N 2.91Å; N191-T194 PolarHBondContact O-OG1 3.35Å; T194-L196 PolarHBondContact O-N 2.71Å; T194-K197 PolarHBondContact O-N 3.38Å; T194-A198 PolarHBondContact O-N 3.07Å |
| 195 | A | 97.9 | Very high | 97.9 | Very high | 56 Ų | 56 | 102.2 Ų | 102.2 | 46% | 0.463 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.4 | -45.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N191 K197 A198 E199 | N191-A195 VanDerWaalsContact O-CB 3.31Å; N191-A195 WeakPolarHBondContact O-CB 3.45Å; N191-A195 PolarHBondContact O-N 2.95Å; A195-K197 VanDerWaalsContact C-N 3.32Å; A195-K197 PolarHBondContact O-N 2.84Å; A195-A198 PolarHBondContact O-N 3.33Å; A195-E199 WeakPolarHBondContact O-CB 3.4Å; A195-E199 PolarHBondContact O-N 3Å |
| 196 | L | 97.6 | Very high | 97.9 | Very high | 88 Ų | 88 | 103.2 Ų | 103.2 | 46% | 0.461 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.4 | -38.2 | 177.7 | -178.1 | 64.4 | 0 | 0 | 0 | 112.4 | Y192 T194 K200 | Y192-L196 WeakPolarHBondContact O-CB 3.49Å; Y192-L196 PolarHBondContact O-N 3.11Å; T194-L196 PolarHBondContact O-N 2.71Å; L196-K200 HydrophobicContact CG-CD 4.39Å; L196-K200 WeakPolarHBondContact O-CB 3.4Å; L196-K200 VanDerWaalsContact O-CG 3.25Å; L196-K200 WeakPolarHBondContact O-CG 3.48Å; L196-K200 PolarHBondContact O-N 3.38Å |
| 197 | K | 98.1 | Very high | 97.9 | Very high | 126 Ų | 126 | 106.5 Ų | 106.5 | 55% | 0.548 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 175.3 | -76.5 | 174.7 | 179.4 | -176.1 | 0 | 111.4 | K193 T194 A195 K200 L201 | K193-K197 VanDerWaalsContact O-CG 3.29Å; K193-K197 WeakPolarHBondContact O-CG 3.23Å; K193-K197 PolarHBondContact O-N 3.42Å; T194-K197 PolarHBondContact O-N 3.38Å; A195-K197 VanDerWaalsContact C-N 3.32Å; A195-K197 PolarHBondContact O-N 2.84Å; K197-K200 PolarHBondContact O-N 3.11Å; K197-L201 WeakPolarHBondContact O-CG 3.39Å; K197-L201 PolarHBondContact O-N 3Å |
| 198 | A | 98.1 | Very high | 97.9 | Very high | 61 Ų | 61 | 105.8 Ų | 105.8 | 50% | 0.504 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T194 A195 K200 L201 A202 | T194-A198 PolarHBondContact O-N 3.07Å; A195-A198 PolarHBondContact O-N 3.33Å; A198-K200 PolarHBondContact O-N 3.33Å; A198-L201 PolarHBondContact O-N 2.95Å; A198-A202 WeakPolarHBondContact O-CB 3.39Å; A198-A202 PolarHBondContact O-N 3.45Å |
| 199 | E | 97.5 | Very high | 98 | Very high | 140 Ų | 140 | 107 Ų | 107 | 65% | 0.654 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.7 | -40.4 | 177.9 | -171.4 | 174.9 | -175.2 | 0 | 0 | 112.1 | A195 L201 A202 A203 | A195-E199 WeakPolarHBondContact O-CB 3.4Å; A195-E199 PolarHBondContact O-N 3Å; E199-L201 PolarHBondContact O-N 3.2Å; E199-A202 PolarHBondContact O-N 3.36Å; E199-A203 WeakPolarHBondContact O-CB 3.39Å; E199-A203 PolarHBondContact O-N 2.92Å |
| 200 | K | 98.1 | Very high | 98 | Very high | 133 Ų | 133 | 105.8 Ų | 105.8 | 58% | 0.578 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.4 | -43.4 | 173.5 | -78.6 | 177.8 | 178.8 | -177 | 0 | 112.3 | L196 K197 A198 A203 Q204 | L196-K200 HydrophobicContact CG-CD 4.39Å; L196-K200 WeakPolarHBondContact O-CB 3.4Å; L196-K200 VanDerWaalsContact O-CG 3.25Å; L196-K200 WeakPolarHBondContact O-CG 3.48Å; L196-K200 PolarHBondContact O-N 3.38Å; K197-K200 PolarHBondContact O-N 3.11Å; A198-K200 PolarHBondContact O-N 3.33Å; K200-A203 PolarHBondContact O-N 3.17Å; K200-Q204 WeakPolarHBondContact O-CB 3.45Å; K200-Q204 PolarHBondContact O-N 2.79Å |
| 201 | L | 98.1 | Very high | 98 | Very high | 115 Ų | 115 | 103.8 Ų | 103.8 | 60% | 0.602 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65 | -45.7 | 177.2 | -73.2 | 171.9 | 0 | 0 | 0 | 111.3 | K197 A198 E199 A203 Q204 E205 | K197-L201 WeakPolarHBondContact O-CG 3.39Å; K197-L201 PolarHBondContact O-N 3Å; A198-L201 PolarHBondContact O-N 2.95Å; E199-L201 PolarHBondContact O-N 3.2Å; L201-A203 VanDerWaalsContact C-N 3.34Å; L201-A203 PolarHBondContact O-N 3.32Å; L201-Q204 PolarHBondContact O-N 3.38Å; L201-E205 WeakPolarHBondContact O-CB 3.48Å; L201-E205 PolarHBondContact O-N 2.99Å |
| 202 | A | 98.3 | Very high | 98 | Very high | 56 Ų | 56 | 106 Ų | 106 | 46% | 0.463 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A198 E199 K206 | A198-A202 WeakPolarHBondContact O-CB 3.39Å; A198-A202 PolarHBondContact O-N 3.45Å; E199-A202 PolarHBondContact O-N 3.36Å; A202-K206 WeakPolarHBondContact O-CB 3.4Å; A202-K206 PolarHBondContact O-N 3.07Å |
| 203 | A | 97.8 | Very high | 98 | Very high | 60 Ų | 60 | 103.5 Ų | 103.5 | 50% | 0.496 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E199 K200 L201 L207 | E199-A203 WeakPolarHBondContact O-CB 3.39Å; E199-A203 PolarHBondContact O-N 2.92Å; K200-A203 PolarHBondContact O-N 3.17Å; L201-A203 VanDerWaalsContact C-N 3.34Å; L201-A203 PolarHBondContact O-N 3.32Å; A203-L207 WeakPolarHBondContact O-CB 3.47Å; A203-L207 PolarHBondContact O-N 2.85Å |
| 204 | Q | 98.1 | Very high | 98 | Very high | 130 Ų | 130 | 105.4 Ų | 105.4 | 61% | 0.607 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.8 | -43.1 | 177 | -177.4 | 169.7 | -4.6 | 0 | 0 | 112.1 | K200 L201 L207 E208 | K200-Q204 WeakPolarHBondContact O-CB 3.45Å; K200-Q204 PolarHBondContact O-N 2.79Å; L201-Q204 PolarHBondContact O-N 3.38Å; Q204-L207 WeakPolarHBondContact O-CB 3.22Å; Q204-L207 PolarHBondContact O-N 2.84Å; Q204-E208 PolarHBondContact O-N 2.94Å |
| 205 | E | 98.1 | Very high | 98 | Very high | 139 Ų | 139 | 108 Ų | 108 | 65% | 0.65 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -58.7 | -47.6 | 174.6 | -178.7 | 177 | -167.2 | 0 | 0 | 111.1 | L201 L207 E208 E209 | L201-E205 WeakPolarHBondContact O-CB 3.48Å; L201-E205 PolarHBondContact O-N 2.99Å; E205-L207 VanDerWaalsContact C-N 3.3Å; E205-L207 PolarHBondContact O-N 2.98Å; E205-E208 WeakPolarHBondContact O-CB 3.3Å; E205-E208 PolarHBondContact O-N 3.45Å; E205-E208 VanDerWaalsContact O-N 3.11Å; E205-E209 PolarHBondContact O-N 2.94Å |
| 206 | K | 97.9 | Very high | 98.1 | Very high | 139 Ų | 139 | 112.7 Ų | 112.7 | 60% | 0.604 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.7 | -38.3 | 176.1 | -172.7 | 172.8 | -176 | 173.2 | 0 | 112.5 | A202 E208 E209 M210 | A202-K206 WeakPolarHBondContact O-CB 3.4Å; A202-K206 PolarHBondContact O-N 3.07Å; K206-E208 VanDerWaalsContact C-N 3.34Å; K206-E209 PolarHBondContact O-N 3.27Å; K206-M210 WeakPolarHBondContact O-CB 3.48Å; K206-M210 WeakPolarHBondContact O-CG 3.3Å; K206-M210 PolarHBondContact O-N 3.42Å |
| 207 | L | 97.9 | Very high | 98.1 | Very high | 128 Ų | 128 | 112.9 Ų | 112.9 | 67% | 0.67 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.5 | -41 | 175.6 | -173.6 | 152.8 | 0 | 0 | 0 | 111.3 | A203 Q204 E205 G211 | A203-L207 WeakPolarHBondContact O-CB 3.47Å; A203-L207 PolarHBondContact O-N 2.85Å; Q204-L207 WeakPolarHBondContact O-CB 3.22Å; Q204-L207 PolarHBondContact O-N 2.84Å; E205-L207 VanDerWaalsContact C-N 3.3Å; E205-L207 PolarHBondContact O-N 2.98Å; L207-G211 PolarHBondContact O-N 2.84Å |
| 208 | E | 98.2 | Very high | 98.1 | Very high | 108 Ų | 108 | 111.9 Ų | 111.9 | 51% | 0.505 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.1 | -42.7 | 176.7 | -164.7 | -170.3 | 145.2 | 0 | 0 | 111.8 | Q204 E205 K206 G211 K212 | Q204-E208 PolarHBondContact O-N 2.94Å; E205-E208 WeakPolarHBondContact O-CB 3.3Å; E205-E208 PolarHBondContact O-N 3.45Å; E205-E208 VanDerWaalsContact O-N 3.11Å; K206-E208 VanDerWaalsContact C-N 3.34Å; E208-G211 PolarHBondContact O-N 3.4Å; E208-K212 WeakPolarHBondContact O-CG 3.5Å; E208-K212 PolarHBondContact O-N 3.41Å; E208-K212 WeakPolarHBondContact OE1-CE 3.45Å; E208-K212 IonicContact OE1-NZ 3.93Å; E208-K212 PolarHBondContact OE1-NZ 3.32Å |
| 209 | E | 98.3 | Very high | 98.1 | Very high | 113 Ų | 113 | 113.1 Ų | 113.1 | 53% | 0.528 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.1 | -52.2 | 174.7 | -175 | 176.1 | -155.8 | 0 | 0 | 111.5 | E205 K206 G211 K212 E213 | E205-E209 PolarHBondContact O-N 2.94Å; K206-E209 PolarHBondContact O-N 3.27Å; E209-G211 PolarHBondContact O-N 2.83Å; E209-K212 WeakPolarHBondContact O-CA 3.38Å; E209-K212 WeakPolarHBondContact O-CB 3.49Å; E209-K212 PolarHBondContact O-N 2.95Å; E209-E213 PolarHBondContact O-N 2.8Å |
| 210 | M | 98 | Very high | 98.2 | Very high | 106 Ų | 106 | 110.7 Ų | 110.7 | 52% | 0.522 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.5 | -35.2 | 174.9 | -68.6 | -64.2 | -57.1 | 0 | 0 | 111.9 | K206 E213 Y214 | K206-M210 WeakPolarHBondContact O-CB 3.48Å; K206-M210 WeakPolarHBondContact O-CG 3.3Å; K206-M210 PolarHBondContact O-N 3.42Å; M210-E213 PolarHBondContact O-N 3.49Å; M210-Y214 VanDerWaalsContact O-CB 3.32Å; M210-Y214 WeakPolarHBondContact O-CB 3.47Å; M210-Y214 PolarHBondContact O-N 2.89Å |
| 211 | G | 98 | Very high | 98.2 | Very high | 39 Ų | 39 | 110 Ų | 110 | 40% | 0.402 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | L207 E208 E209 K215 | L207-G211 PolarHBondContact O-N 2.84Å; E208-G211 PolarHBondContact O-N 3.4Å; E209-G211 PolarHBondContact O-N 2.83Å; G211-K215 WeakPolarHBondContact O-CB 3.49Å; G211-K215 PolarHBondContact O-N 2.89Å |
| 212 | K | 98.2 | Very high | 98.2 | Very high | 129 Ų | 129 | 111.1 Ų | 111.1 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.2 | -45.8 | 174.5 | -69.9 | 166.9 | -175.4 | 161.8 | 0 | 111 | E208 E209 K215 Y216 | E208-K212 WeakPolarHBondContact O-CG 3.5Å; E208-K212 PolarHBondContact O-N 3.41Å; E208-K212 WeakPolarHBondContact OE1-CE 3.45Å; E208-K212 IonicContact OE1-NZ 3.93Å; E208-K212 PolarHBondContact OE1-NZ 3.32Å; E209-K212 WeakPolarHBondContact O-CA 3.38Å; E209-K212 WeakPolarHBondContact O-CB 3.49Å; E209-K212 PolarHBondContact O-N 2.95Å; K212-K215 PolarHBondContact O-N 3.17Å; K212-Y216 WeakPolarHBondContact O-CB 3.3Å; K212-Y216 PolarHBondContact O-N 3.49Å |
| 213 | E | 97.9 | Very high | 98.1 | Very high | 109 Ų | 109 | 112.1 Ų | 112.1 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 176 | -69.4 | -171.2 | 163.7 | 0 | 0 | 112 | E209 M210 K215 Y216 L217 | E209-E213 PolarHBondContact O-N 2.8Å; M210-E213 PolarHBondContact O-N 3.49Å; E213-K215 VanDerWaalsContact C-N 3.34Å; E213-K215 PolarHBondContact O-N 3.21Å; E213-Y216 WeakPolarHBondContact O-CB 3.28Å; E213-Y216 PolarHBondContact O-N 3.45Å; E213-L217 WeakPolarHBondContact O-CB 3.05Å; E213-L217 PolarHBondContact O-N 3.37Å |
| 214 | Y | 98.4 | Very high | 98.1 | Very high | 154 Ų | 154 | 116.3 Ų | 116.3 | 60% | 0.604 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.5 | -44.6 | 175.6 | 173.5 | -98.4 | 0 | 0 | 0 | 111.6 | M210 L217 K218 | M210-Y214 VanDerWaalsContact O-CB 3.32Å; M210-Y214 WeakPolarHBondContact O-CB 3.47Å; M210-Y214 PolarHBondContact O-N 2.89Å; Y214-L217 PolarHBondContact O-N 2.91Å; Y214-K218 HydrophobicContact CE1-CD 4.14Å; Y214-K218 VanDerWaalsContact O-CB 3.24Å; Y214-K218 WeakPolarHBondContact O-CB 3.32Å; Y214-K218 PolarHBondContact O-N 3.39Å |
| 215 | K | 98.4 | Very high | 98.2 | Very high | 138 Ų | 138 | 113.8 Ų | 113.8 | 60% | 0.6 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.7 | -42.2 | 177.1 | -173.6 | 178.7 | 179.6 | -178.3 | 0 | 111.6 | G211 K212 E213 K218 N219 | G211-K215 WeakPolarHBondContact O-CB 3.49Å; G211-K215 PolarHBondContact O-N 2.89Å; K212-K215 PolarHBondContact O-N 3.17Å; E213-K215 VanDerWaalsContact C-N 3.34Å; E213-K215 PolarHBondContact O-N 3.21Å; K215-K218 PolarHBondContact O-N 3.31Å; K215-N219 WeakPolarHBondContact O-CB 3.47Å; K215-N219 VanDerWaalsContact O-CG 3.25Å; K215-N219 PolarHBondContact O-N 2.91Å; K215-N219 PolarHBondContact O-OD1 3.42Å |
| 216 | Y | 98.3 | Very high | 98.2 | Very high | 156 Ų | 156 | 111.4 Ų | 111.4 | 61% | 0.612 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.3 | -50.7 | 175 | 171.8 | -99.1 | 0 | 0 | 0 | 111.3 | K212 E213 K218 N219 M220 | K212-Y216 WeakPolarHBondContact O-CB 3.3Å; K212-Y216 PolarHBondContact O-N 3.49Å; E213-Y216 WeakPolarHBondContact O-CB 3.28Å; E213-Y216 PolarHBondContact O-N 3.45Å; Y216-K218 PolarHBondContact O-N 3.35Å; Y216-N219 WeakPolarHBondContact O-CB 3.38Å; Y216-N219 PolarHBondContact O-N 2.9Å; Y216-N219 VanDerWaalsContact O-N 3.15Å; Y216-M220 HydrophobicContact CE1-CE 4.41Å; Y216-M220 HydrophobicContact CE2-CE 4.01Å; Y216-M220 PolarHBondContact O-N 2.79Å; Y216-M220 WeakPolarHBondContact OH-CE 3.38Å |
| 217 | L | 98.4 | Very high | 98.2 | Very high | 92 Ų | 92 | 108 Ų | 108 | 48% | 0.482 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 179.7 | -175.4 | 60.8 | 0 | 0 | 0 | 111.4 | E213 Y214 N219 M220 F221 | E213-L217 WeakPolarHBondContact O-CB 3.05Å; E213-L217 PolarHBondContact O-N 3.37Å; Y214-L217 PolarHBondContact O-N 2.91Å; L217-N219 VanDerWaalsContact C-N 3.3Å; L217-N219 PolarHBondContact O-N 2.87Å; L217-M220 PolarHBondContact O-N 3.48Å; L217-F221 HydrophobicContact CD1-CD2 3.97Å; L217-F221 HydrophobicContact CD1-CE2 3.57Å; L217-F221 HydrophobicContact CD1-CZ 4.44Å; L217-F221 HydrophobicContact CD2-CE2 4.04Å; L217-F221 HydrophobicContact CG-CD2 3.81Å; L217-F221 HydrophobicContact CG-CE2 3.56Å; L217-F221 WeakPolarHBondContact O-CD2 3.2Å; L217-F221 PolarHBondContact O-N 3.49Å |
| 218 | K | 98.5 | Very high | 98.2 | Very high | 104 Ų | 104 | 105.1 Ų | 105.1 | 45% | 0.452 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.4 | -43 | 174.2 | -176.7 | 177 | -179.5 | 177.4 | 0 | 111.7 | Y214 K215 Y216 F221 R222 | Y214-K218 HydrophobicContact CE1-CD 4.14Å; Y214-K218 VanDerWaalsContact O-CB 3.24Å; Y214-K218 WeakPolarHBondContact O-CB 3.32Å; Y214-K218 PolarHBondContact O-N 3.39Å; K215-K218 PolarHBondContact O-N 3.31Å; Y216-K218 PolarHBondContact O-N 3.35Å; K218-F221 PolarHBondContact O-N 2.86Å; K218-R222 WeakPolarHBondContact O-CG 3.34Å; K218-R222 PolarHBondContact O-N 3.22Å; K218-R222 VanDerWaalsContact O-N 3.08Å |
| 219 | N | 98.4 | Very high | 98.2 | Very high | 88 Ų | 88 | 108 Ų | 108 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 176 | -72.6 | -4.1 | 0 | 0 | 0 | 111.6 | K215 Y216 L217 F221 R222 T223 | K215-N219 WeakPolarHBondContact O-CB 3.47Å; K215-N219 VanDerWaalsContact O-CG 3.25Å; K215-N219 PolarHBondContact O-N 2.91Å; K215-N219 PolarHBondContact O-OD1 3.42Å; Y216-N219 WeakPolarHBondContact O-CB 3.38Å; Y216-N219 PolarHBondContact O-N 2.9Å; Y216-N219 VanDerWaalsContact O-N 3.15Å; L217-N219 VanDerWaalsContact C-N 3.3Å; L217-N219 PolarHBondContact O-N 2.87Å; N219-F221 VanDerWaalsContact C-N 3.31Å; N219-F221 PolarHBondContact O-N 2.82Å; N219-R222 WeakPolarHBondContact O-CB 3.4Å; N219-R222 PolarHBondContact O-N 2.88Å; N219-R222 VanDerWaalsContact O-N 3.11Å; N219-T223 PolarHBondContact O-N 3.42Å; N219-T223 PolarHBondContact O-OG1 2.86Å |
| 220 | M | 98.1 | Very high | 98.1 | Very high | 88 Ų | 88 | 108 Ų | 108 | 43% | 0.433 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.2 | -39.3 | 177 | -167.1 | 60.2 | 62 | 0 | 0 | 112.3 | Y216 L217 T223 Y224 | Y216-M220 HydrophobicContact CE1-CE 4.41Å; Y216-M220 HydrophobicContact CE2-CE 4.01Å; Y216-M220 PolarHBondContact O-N 2.79Å; Y216-M220 WeakPolarHBondContact OH-CE 3.38Å; L217-M220 PolarHBondContact O-N 3.48Å; M220-T223 WeakPolarHBondContact CA-OG1 3.28Å; M220-T223 PolarHBondContact O-N 3.19Å; M220-T223 PolarHBondContact O-OG1 2.81Å; M220-Y224 WeakPolarHBondContact O-CB 3.27Å; M220-Y224 PolarHBondContact O-N 3.46Å |
| 221 | F | 98.1 | Very high | 98.2 | Very high | 119 Ų | 119 | 107.4 Ų | 107.4 | 52% | 0.522 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 173.2 | -84.6 | -67.6 | 0 | 0 | 0 | 112.4 | L217 K218 N219 Y224 Q225 | L217-F221 HydrophobicContact CD1-CD2 3.97Å; L217-F221 HydrophobicContact CD1-CE2 3.57Å; L217-F221 HydrophobicContact CD1-CZ 4.44Å; L217-F221 HydrophobicContact CD2-CE2 4.04Å; L217-F221 HydrophobicContact CG-CD2 3.81Å; L217-F221 HydrophobicContact CG-CE2 3.56Å; L217-F221 WeakPolarHBondContact O-CD2 3.2Å; L217-F221 PolarHBondContact O-N 3.49Å; K218-F221 PolarHBondContact O-N 2.86Å; N219-F221 VanDerWaalsContact C-N 3.31Å; N219-F221 PolarHBondContact O-N 2.82Å; F221-Y224 PolarHBondContact O-N 2.89Å; F221-Q225 WeakPolarHBondContact O-CB 3.43Å; F221-Q225 VanDerWaalsContact O-CG 3.28Å; F221-Q225 WeakPolarHBondContact O-CG 3.44Å; F221-Q225 PolarHBondContact O-N 3.41Å |
| 222 | R | 98.1 | Very high | 98.1 | Very high | 138 Ų | 138 | 111.2 Ų | 111.2 | 52% | 0.521 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.8 | -48.1 | 174.8 | -72.1 | -61.2 | -169.7 | -143.4 | 4.3 | 111.5 | K218 N219 Y224 Q225 D226 | K218-R222 WeakPolarHBondContact O-CG 3.34Å; K218-R222 PolarHBondContact O-N 3.22Å; K218-R222 VanDerWaalsContact O-N 3.08Å; N219-R222 WeakPolarHBondContact O-CB 3.4Å; N219-R222 PolarHBondContact O-N 2.88Å; N219-R222 VanDerWaalsContact O-N 3.11Å; R222-Y224 VanDerWaalsContact C-N 3.27Å; R222-Y224 PolarHBondContact O-N 2.99Å; R222-Q225 WeakPolarHBondContact O-CB 3.46Å; R222-Q225 PolarHBondContact O-N 2.85Å; R222-Q225 VanDerWaalsContact O-N 3.09Å; R222-D226 PolarHBondContact O-N 3.08Å |
| 223 | T | 97.4 | Very high | 98.1 | Very high | 78 Ų | 78 | 110.4 Ų | 110.4 | 48% | 0.479 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61 | -37.1 | 177.5 | 50.7 | 0 | 0 | 0 | 0 | 112.4 | N219 M220 S227 | N219-T223 PolarHBondContact O-N 3.42Å; N219-T223 PolarHBondContact O-OG1 2.86Å; M220-T223 WeakPolarHBondContact CA-OG1 3.28Å; M220-T223 PolarHBondContact O-N 3.19Å; M220-T223 PolarHBondContact O-OG1 2.81Å; T223-S227 VanDerWaalsContact O-CB 3.29Å; T223-S227 WeakPolarHBondContact O-CB 3.49Å; T223-S227 PolarHBondContact O-N 3.08Å |
| 224 | Y | 98.4 | Very high | 98.1 | Very high | 147 Ų | 147 | 110.1 Ų | 110.1 | 58% | 0.576 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.2 | -42.3 | 174.3 | -179.3 | -105.1 | 0 | 0 | 0 | 112.2 | M220 F221 R222 S227 I228 | M220-Y224 WeakPolarHBondContact O-CB 3.27Å; M220-Y224 PolarHBondContact O-N 3.46Å; F221-Y224 PolarHBondContact O-N 2.89Å; R222-Y224 VanDerWaalsContact C-N 3.27Å; R222-Y224 PolarHBondContact O-N 2.99Å; Y224-S227 PolarHBondContact O-N 3.33Å; Y224-I228 HydrophobicContact CD1-CD1 3.8Å; Y224-I228 HydrophobicContact CE1-CD1 3.21Å; Y224-I228 HydrophobicContact CE1-CG1 4.24Å; Y224-I228 HydrophobicContact CE2-CD1 4.18Å; Y224-I228 HydrophobicContact CE2-CG1 4.47Å; Y224-I228 HydrophobicContact CG-CD1 4.5Å; Y224-I228 VanDerWaalsContact CZ-CD1 3.44Å; Y224-I228 WeakPolarHBondContact O-CG1 3.49Å; Y224-I228 PolarHBondContact O-N 3.5Å |
| 225 | Q | 98.3 | Very high | 98.1 | Very high | 78 Ų | 78 | 108 Ų | 108 | 36% | 0.364 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.8 | -51 | 173.9 | -76.3 | 176.1 | -24.3 | 0 | 0 | 110.9 | F221 R222 S227 I228 Y229 | F221-Q225 WeakPolarHBondContact O-CB 3.43Å; F221-Q225 VanDerWaalsContact O-CG 3.28Å; F221-Q225 WeakPolarHBondContact O-CG 3.44Å; F221-Q225 PolarHBondContact O-N 3.41Å; R222-Q225 WeakPolarHBondContact O-CB 3.46Å; R222-Q225 PolarHBondContact O-N 2.85Å; R222-Q225 VanDerWaalsContact O-N 3.09Å; Q225-S227 VanDerWaalsContact C-N 3.33Å; Q225-S227 PolarHBondContact O-N 3.22Å; Q225-I228 PolarHBondContact O-N 2.85Å; Q225-I228 VanDerWaalsContact O-N 3.14Å; Q225-Y229 HydrophobicContact CB-CE2 4.44Å; Q225-Y229 WeakPolarHBondContact O-CD2 3.34Å; Q225-Y229 PolarHBondContact O-N 2.87Å |
| 226 | D | 98.1 | Very high | 98.1 | Very high | 88 Ų | 88 | 108.5 Ų | 108.5 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 180 | -62.2 | -20.2 | 0 | 0 | 0 | 110.8 | R222 I228 Y229 D230 | R222-D226 PolarHBondContact O-N 3.08Å; D226-I228 VanDerWaalsContact C-N 3.33Å; D226-I228 PolarHBondContact O-N 3.31Å; D226-Y229 PolarHBondContact O-N 2.98Å; D226-Y229 VanDerWaalsContact O-N 3.13Å; D226-D230 PolarHBondContact O-N 3.46Å |
| 227 | S | 98.3 | Very high | 98.1 | Very high | 69 Ų | 69 | 103.8 Ų | 103.8 | 48% | 0.483 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59 | -40.4 | 175 | -178.4 | 0 | 0 | 0 | 0 | 113 | T223 Y224 Q225 E231 | T223-S227 VanDerWaalsContact O-CB 3.29Å; T223-S227 WeakPolarHBondContact O-CB 3.49Å; T223-S227 PolarHBondContact O-N 3.08Å; Y224-S227 PolarHBondContact O-N 3.33Å; Q225-S227 VanDerWaalsContact C-N 3.33Å; Q225-S227 PolarHBondContact O-N 3.22Å; S227-E231 WeakPolarHBondContact O-CB 3.42Å; S227-E231 PolarHBondContact O-N 2.8Å |
| 228 | I | 97.9 | Very high | 98.1 | Very high | 67 Ų | 67 | 105.1 Ų | 105.1 | 34% | 0.344 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.1 | -44.7 | 175.3 | -73.6 | 173.5 | 0 | 0 | 0 | 110.4 | Y224 Q225 D226 D230 E231 M232 | Y224-I228 HydrophobicContact CD1-CD1 3.8Å; Y224-I228 HydrophobicContact CE1-CD1 3.21Å; Y224-I228 HydrophobicContact CE1-CG1 4.24Å; Y224-I228 HydrophobicContact CE2-CD1 4.18Å; Y224-I228 HydrophobicContact CE2-CG1 4.47Å; Y224-I228 HydrophobicContact CG-CD1 4.5Å; Y224-I228 VanDerWaalsContact CZ-CD1 3.44Å; Y224-I228 WeakPolarHBondContact O-CG1 3.49Å; Y224-I228 PolarHBondContact O-N 3.5Å; Q225-I228 PolarHBondContact O-N 2.85Å; Q225-I228 VanDerWaalsContact O-N 3.14Å; D226-I228 VanDerWaalsContact C-N 3.33Å; D226-I228 PolarHBondContact O-N 3.31Å; I228-D230 VanDerWaalsContact C-N 3.35Å; I228-E231 PolarHBondContact O-N 2.86Å; I228-M232 HydrophobicContact CG2-CG 4.2Å; I228-M232 WeakPolarHBondContact O-CB 3.44Å; I228-M232 VanDerWaalsContact O-CG 3.22Å; I228-M232 WeakPolarHBondContact O-CG 3.35Å; I228-M232 PolarHBondContact O-N 2.95Å |
| 229 | Y | 97.9 | Very high | 98.1 | Very high | 167 Ų | 167 | 103.7 Ų | 103.7 | 66% | 0.655 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.8 | -47.1 | 179.3 | -81.2 | -67.7 | 0 | 0 | 0 | 111.1 | Q225 D226 M232 E233 | Q225-Y229 HydrophobicContact CB-CE2 4.44Å; Q225-Y229 WeakPolarHBondContact O-CD2 3.34Å; Q225-Y229 PolarHBondContact O-N 2.87Å; D226-Y229 PolarHBondContact O-N 2.98Å; D226-Y229 VanDerWaalsContact O-N 3.13Å; Y229-M232 PolarHBondContact O-N 3.08Å; Y229-E233 WeakPolarHBondContact O-CB 3.48Å; Y229-E233 PolarHBondContact O-N 3.24Å |
| 230 | D | 97.8 | Very high | 98 | Very high | 115 Ų | 115 | 105 Ų | 105 | 62% | 0.615 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.2 | -43.8 | 178.3 | -71 | -17.7 | 0 | 0 | 0 | 111.8 | D226 I228 M232 E233 E234 | D226-D230 PolarHBondContact O-N 3.46Å; I228-D230 VanDerWaalsContact C-N 3.35Å; D230-M232 PolarHBondContact O-N 3.28Å; D230-E233 PolarHBondContact O-N 3.47Å; D230-E234 WeakPolarHBondContact O-CB 3.45Å; D230-E234 PolarHBondContact O-N 3.23Å |
| 231 | E | 98.3 | Very high | 98.1 | Very high | 92 Ų | 92 | 103 Ų | 103 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 177.2 | -171.2 | -171.2 | 161.6 | 0 | 0 | 111.7 | S227 I228 K235 | S227-E231 WeakPolarHBondContact O-CB 3.42Å; S227-E231 PolarHBondContact O-N 2.8Å; I228-E231 PolarHBondContact O-N 2.86Å; E231-K235 HydrophobicContact CG-CD 4.28Å; E231-K235 WeakPolarHBondContact O-CB 3.44Å; E231-K235 VanDerWaalsContact O-CG 3.29Å; E231-K235 WeakPolarHBondContact O-CG 3.41Å; E231-K235 PolarHBondContact O-N 2.9Å; E231-K235 VanDerWaalsContact OE1-CE 3.29Å; E231-K235 WeakPolarHBondContact OE1-CE 3.42Å; E231-K235 IonicContact OE1-NZ 3.37Å; E231-K235 PolarHBondContact OE1-NZ 3.42Å |
| 232 | M | 97.5 | Very high | 98.1 | Very high | 119 Ų | 119 | 103 Ų | 103 | 59% | 0.586 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.3 | -42.1 | 178 | -72.6 | -64.5 | -66.2 | 0 | 0 | 111.8 | I228 Y229 D230 K235 W236 | I228-M232 HydrophobicContact CG2-CG 4.2Å; I228-M232 WeakPolarHBondContact O-CB 3.44Å; I228-M232 VanDerWaalsContact O-CG 3.22Å; I228-M232 WeakPolarHBondContact O-CG 3.35Å; I228-M232 PolarHBondContact O-N 2.95Å; Y229-M232 PolarHBondContact O-N 3.08Å; D230-M232 PolarHBondContact O-N 3.28Å; M232-K235 PolarHBondContact O-N 2.82Å; M232-W236 VanDerWaalsContact O-CB 3.28Å; M232-W236 WeakPolarHBondContact O-CB 3.34Å; M232-W236 PolarHBondContact O-N 2.91Å |
| 233 | E | 98.1 | Very high | 98 | Very high | 112 Ų | 112 | 103.1 Ų | 103.1 | 52% | 0.523 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 177 | -172.9 | 57.3 | -138.2 | 0 | 0 | 111.4 | Y229 D230 W236 S237 | Y229-E233 WeakPolarHBondContact O-CB 3.48Å; Y229-E233 PolarHBondContact O-N 3.24Å; D230-E233 PolarHBondContact O-N 3.47Å; E233-W236 PolarHBondContact O-N 2.87Å; E233-S237 VanDerWaalsContact O-CB 3.24Å; E233-S237 WeakPolarHBondContact O-CB 3.32Å; E233-S237 PolarHBondContact O-N 3.06Å; E233-S237 PolarHBondContact O-OG 3.22Å; E233-S237 VanDerWaalsContact O-OG 3.07Å |
| 234 | E | 98.1 | Very high | 98.1 | Very high | 103 Ų | 103 | 105.8 Ų | 105.8 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64 | -46 | 175.8 | -162.6 | -155.6 | -171 | 0 | 0 | 111.1 | D230 W236 S237 K238 | D230-E234 WeakPolarHBondContact O-CB 3.45Å; D230-E234 PolarHBondContact O-N 3.23Å; E234-W236 PolarHBondContact O-N 2.99Å; E234-S237 PolarHBondContact O-N 3.38Å; E234-K238 VanDerWaalsContact CD-CE 3.47Å; E234-K238 HydrophobicContact CG-CD 4.37Å; E234-K238 WeakPolarHBondContact O-CB 3.34Å; E234-K238 VanDerWaalsContact O-CG 3.31Å; E234-K238 WeakPolarHBondContact O-CG 3.47Å; E234-K238 PolarHBondContact O-N 3.34Å; E234-K238 WeakPolarHBondContact OE1-CE 3.37Å; E234-K238 IonicContact OE1-NZ 2.61Å; E234-K238 PolarHBondContact OE1-NZ 3.47Å; E234-K238 IonicContact OE2-NZ 3.1Å; E234-K238 PolarHBondContact OE2-NZ 3.47Å |
| 235 | K | 98.1 | Very high | 98.1 | Very high | 110 Ų | 110 | 106 Ų | 106 | 48% | 0.478 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60 | -44.8 | 175.1 | -79.1 | 173.7 | 171.7 | 170.6 | 0 | 111.6 | E231 M232 K238 Q239 | E231-K235 HydrophobicContact CG-CD 4.28Å; E231-K235 WeakPolarHBondContact O-CB 3.44Å; E231-K235 VanDerWaalsContact O-CG 3.29Å; E231-K235 WeakPolarHBondContact O-CG 3.41Å; E231-K235 PolarHBondContact O-N 2.9Å; E231-K235 VanDerWaalsContact OE1-CE 3.29Å; E231-K235 WeakPolarHBondContact OE1-CE 3.42Å; E231-K235 IonicContact OE1-NZ 3.37Å; E231-K235 PolarHBondContact OE1-NZ 3.42Å; M232-K235 PolarHBondContact O-N 2.82Å; K235-K238 PolarHBondContact O-N 3.49Å; K235-Q239 WeakPolarHBondContact O-CB 3.48Å; K235-Q239 PolarHBondContact O-N 2.91Å |
| 236 | W | 98.1 | Very high | 98 | Very high | 148 Ų | 148 | 106.1 Ų | 106.1 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.8 | -45.3 | 177.6 | -174.3 | -111.8 | 0 | 0 | 0 | 111.7 | M232 E233 E234 Q239 K240 | M232-W236 VanDerWaalsContact O-CB 3.28Å; M232-W236 WeakPolarHBondContact O-CB 3.34Å; M232-W236 PolarHBondContact O-N 2.91Å; E233-W236 PolarHBondContact O-N 2.87Å; E234-W236 PolarHBondContact O-N 2.99Å; W236-Q239 PolarHBondContact O-N 3.46Å; W236-K240 WeakPolarHBondContact O-CB 3.49Å; W236-K240 PolarHBondContact O-N 2.84Å |
| 237 | S | 98.1 | Very high | 98 | Very high | 58 Ų | 58 | 106.5 Ų | 106.5 | 41% | 0.406 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 176.4 | -74.5 | 0 | 0 | 0 | 0 | 112.4 | E233 E234 K240 A241 | E233-S237 VanDerWaalsContact O-CB 3.24Å; E233-S237 WeakPolarHBondContact O-CB 3.32Å; E233-S237 PolarHBondContact O-N 3.06Å; E233-S237 PolarHBondContact O-OG 3.22Å; E233-S237 VanDerWaalsContact O-OG 3.07Å; E234-S237 PolarHBondContact O-N 3.38Å; S237-K240 PolarHBondContact O-N 3.18Å; S237-A241 WeakPolarHBondContact O-CB 3.39Å; S237-A241 PolarHBondContact O-N 3.36Å |
| 238 | K | 98.1 | Very high | 98 | Very high | 119 Ų | 119 | 110.2 Ų | 110.2 | 52% | 0.517 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.1 | -47.1 | 174.3 | -77 | 170.9 | -179.8 | 164.7 | 0 | 111.5 | E234 K235 A241 K242 | E234-K238 VanDerWaalsContact CD-CE 3.47Å; E234-K238 HydrophobicContact CG-CD 4.37Å; E234-K238 WeakPolarHBondContact O-CB 3.34Å; E234-K238 VanDerWaalsContact O-CG 3.31Å; E234-K238 WeakPolarHBondContact O-CG 3.47Å; E234-K238 PolarHBondContact O-N 3.34Å; E234-K238 WeakPolarHBondContact OE1-CE 3.37Å; E234-K238 IonicContact OE1-NZ 2.61Å; E234-K238 PolarHBondContact OE1-NZ 3.47Å; E234-K238 IonicContact OE2-NZ 3.1Å; E234-K238 PolarHBondContact OE2-NZ 3.47Å; K235-K238 PolarHBondContact O-N 3.49Å; K238-A241 PolarHBondContact O-N 3.42Å; K238-K242 PolarHBondContact O-N 2.84Å |
| 239 | Q | 98.1 | Very high | 98 | Very high | 75 Ų | 75 | 112.2 Ų | 112.2 | 35% | 0.35 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 179.4 | -174 | 64.7 | 9.7 | 0 | 0 | 111.7 | K235 W236 A241 K242 W243 | K235-Q239 WeakPolarHBondContact O-CB 3.48Å; K235-Q239 PolarHBondContact O-N 2.91Å; W236-Q239 PolarHBondContact O-N 3.46Å; Q239-A241 VanDerWaalsContact C-N 3.34Å; Q239-A241 PolarHBondContact O-N 2.92Å; Q239-K242 WeakPolarHBondContact O-CB 3.42Å; Q239-K242 PolarHBondContact O-N 3.22Å; Q239-W243 HydrophobicContact CG-CD2 4.21Å; Q239-W243 HydrophobicContact CG-CE3 4.43Å; Q239-W243 HydrophobicContact CG-CH2 4.14Å; Q239-W243 HydrophobicContact CG-CZ2 3.9Å; Q239-W243 HydrophobicContact CG-CZ3 4.4Å; Q239-W243 VanDerWaalsContact NE2-CE2 3.26Å; Q239-W243 PolarHBondContact O-N 3.02Å |
| 240 | K | 98.2 | Very high | 97.9 | Very high | 114 Ų | 114 | 108.9 Ų | 108.9 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 175.8 | -173.1 | 175.8 | -175.1 | 176.5 | 0 | 112 | W236 S237 K244 | W236-K240 WeakPolarHBondContact O-CB 3.49Å; W236-K240 PolarHBondContact O-N 2.84Å; S237-K240 PolarHBondContact O-N 3.18Å; K240-K244 WeakPolarHBondContact O-CG 3.45Å; K240-K244 PolarHBondContact O-N 3.25Å; K240-K244 VanDerWaalsContact O-N 3.09Å |
| 241 | A | 98.2 | Very high | 97.9 | Very high | 48 Ų | 48 | 110.6 Ų | 110.6 | 40% | 0.397 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | S237 K238 Q239 K244 K245 | S237-A241 WeakPolarHBondContact O-CB 3.39Å; S237-A241 PolarHBondContact O-N 3.36Å; K238-A241 PolarHBondContact O-N 3.42Å; Q239-A241 VanDerWaalsContact C-N 3.34Å; Q239-A241 PolarHBondContact O-N 2.92Å; A241-K244 PolarHBondContact O-N 3.01Å; A241-K245 WeakPolarHBondContact O-CG 3.4Å; A241-K245 PolarHBondContact O-N 3.46Å; A241-K245 VanDerWaalsContact O-N 3.08Å |
| 242 | K | 98.1 | Very high | 97.9 | Very high | 117 Ų | 117 | 112.4 Ų | 112.4 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.7 | -51.4 | 174.7 | -173.8 | -179.6 | 177.4 | -178.1 | 0 | 111.2 | K238 Q239 K244 K245 D246 | K238-K242 PolarHBondContact O-N 2.84Å; Q239-K242 WeakPolarHBondContact O-CB 3.42Å; Q239-K242 PolarHBondContact O-N 3.22Å; K242-K244 VanDerWaalsContact C-N 3.31Å; K242-K244 PolarHBondContact O-N 3.48Å; K242-K245 WeakPolarHBondContact O-CB 3.45Å; K242-K245 PolarHBondContact O-N 3.31Å; K242-D246 PolarHBondContact O-N 3.07Å |
| 243 | W | 97.9 | Very high | 98 | Very high | 141 Ų | 141 | 110.6 Ų | 110.6 | 53% | 0.534 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.9 | -40.8 | 177 | -72.5 | -25.1 | 0 | 0 | 0 | 113.3 | Q239 K245 D246 E247 | Q239-W243 HydrophobicContact CG-CD2 4.21Å; Q239-W243 HydrophobicContact CG-CE3 4.43Å; Q239-W243 HydrophobicContact CG-CH2 4.14Å; Q239-W243 HydrophobicContact CG-CZ2 3.9Å; Q239-W243 HydrophobicContact CG-CZ3 4.4Å; Q239-W243 VanDerWaalsContact NE2-CE2 3.26Å; Q239-W243 PolarHBondContact O-N 3.02Å; W243-K245 VanDerWaalsContact C-N 3.32Å; W243-K245 PolarHBondContact O-N 2.84Å; W243-D246 PolarHBondContact O-N 2.98Å; W243-E247 VanDerWaalsContact O-CB 3.28Å; W243-E247 WeakPolarHBondContact O-CB 3.37Å; W243-E247 PolarHBondContact O-N 3.44Å |
| 244 | K | 98 | Very high | 98 | Very high | 134 Ų | 134 | 108.7 Ų | 108.7 | 58% | 0.583 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.1 | -38.6 | 174.9 | -76.8 | -177.6 | 175.5 | -172.3 | 0 | 112.8 | K240 A241 K242 K248 | K240-K244 WeakPolarHBondContact O-CG 3.45Å; K240-K244 PolarHBondContact O-N 3.25Å; K240-K244 VanDerWaalsContact O-N 3.09Å; A241-K244 PolarHBondContact O-N 3.01Å; K242-K244 VanDerWaalsContact C-N 3.31Å; K242-K244 PolarHBondContact O-N 3.48Å; K244-K248 WeakPolarHBondContact O-CB 3.32Å; K244-K248 PolarHBondContact O-N 3.42Å; K244-K248 VanDerWaalsContact O-N 3.12Å |
| 245 | K | 98.1 | Very high | 98 | Very high | 153 Ų | 153 | 109 Ų | 109 | 67% | 0.665 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.8 | -46.1 | 176 | -73.1 | 179.5 | -179.6 | -178.2 | 0 | 110.9 | A241 K242 W243 K248 L249 | A241-K245 WeakPolarHBondContact O-CG 3.4Å; A241-K245 PolarHBondContact O-N 3.46Å; A241-K245 VanDerWaalsContact O-N 3.08Å; K242-K245 WeakPolarHBondContact O-CB 3.45Å; K242-K245 PolarHBondContact O-N 3.31Å; W243-K245 VanDerWaalsContact C-N 3.32Å; W243-K245 PolarHBondContact O-N 2.84Å; K245-K248 PolarHBondContact O-N 3.24Å; K245-L249 WeakPolarHBondContact O-CB 3.43Å; K245-L249 PolarHBondContact O-N 3.28Å |
| 246 | D | 97.5 | Very high | 98 | Very high | 80 Ų | 80 | 107.7 Ų | 107.7 | 43% | 0.428 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -44 | 179.9 | -64.4 | -14.9 | 0 | 0 | 0 | 111 | K242 W243 K248 L249 E250 | K242-D246 PolarHBondContact O-N 3.07Å; W243-D246 PolarHBondContact O-N 2.98Å; D246-K248 VanDerWaalsContact C-N 3.35Å; D246-K248 PolarHBondContact O-N 2.95Å; D246-L249 PolarHBondContact O-N 2.85Å; D246-E250 WeakPolarHBondContact O-CB 3.43Å; D246-E250 PolarHBondContact O-N 3.37Å |
| 247 | E | 97.5 | Very high | 98 | Very high | 95 Ų | 95 | 105.4 Ų | 105.4 | 44% | 0.444 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 174.8 | -177 | -172.8 | -173.3 | 0 | 0 | 111.9 | W243 R251 | W243-E247 VanDerWaalsContact O-CB 3.28Å; W243-E247 WeakPolarHBondContact O-CB 3.37Å; W243-E247 PolarHBondContact O-N 3.44Å; E247-R251 WeakPolarHBondContact O-CB 3.42Å; E247-R251 WeakPolarHBondContact O-CG 3.28Å; E247-R251 PolarHBondContact O-N 2.87Å; E247-R251 IonicContact OE1-CZ 2.78Å; E247-R251 IonicContact OE1-NE 2.85Å; E247-R251 IonicContact OE1-NH1 2.8Å; E247-R251 PolarHBondContact OE1-NH1 3.38Å; E247-R251 IonicContact OE1-NH2 3.45Å; E247-R251 PolarHBondContact OE1-NH2 3.29Å |
| 248 | K | 97.8 | Very high | 98 | Very high | 147 Ų | 147 | 107.9 Ų | 107.9 | 64% | 0.639 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.4 | -44.1 | 176.3 | -174.5 | -177.9 | 176.8 | -173.6 | 0 | 111.2 | K244 K245 D246 R251 E252 | K244-K248 WeakPolarHBondContact O-CB 3.32Å; K244-K248 PolarHBondContact O-N 3.42Å; K244-K248 VanDerWaalsContact O-N 3.12Å; K245-K248 PolarHBondContact O-N 3.24Å; D246-K248 VanDerWaalsContact C-N 3.35Å; D246-K248 PolarHBondContact O-N 2.95Å; K248-R251 PolarHBondContact O-N 2.87Å; K248-E252 WeakPolarHBondContact O-CB 3.24Å; K248-E252 PolarHBondContact O-N 3.44Å |
| 249 | L | 97.8 | Very high | 98 | Very high | 110 Ų | 110 | 109 Ų | 109 | 58% | 0.576 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.1 | -43.1 | 178.9 | -171.6 | 153.7 | 0 | 0 | 0 | 111.1 | K245 D246 E252 N253 | K245-L249 WeakPolarHBondContact O-CB 3.43Å; K245-L249 PolarHBondContact O-N 3.28Å; D246-L249 PolarHBondContact O-N 2.85Å; L249-E252 PolarHBondContact O-N 3.03Å; L249-N253 WeakPolarHBondContact O-CB 3.32Å; L249-N253 PolarHBondContact O-N 3.12Å |
| 250 | E | 97.4 | Very high | 97.9 | Very high | 96 Ų | 96 | 112 Ų | 112 | 45% | 0.449 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 177.7 | -171.5 | 56.7 | -147.1 | 0 | 0 | 111.5 | D246 E252 N253 I254 | D246-E250 WeakPolarHBondContact O-CB 3.43Å; D246-E250 PolarHBondContact O-N 3.37Å; E250-E252 VanDerWaalsContact C-N 3.34Å; E250-E252 PolarHBondContact O-N 3.08Å; E250-N253 PolarHBondContact O-N 3.31Å; E250-I254 HydrophobicContact CG-CD1 4.15Å; E250-I254 WeakPolarHBondContact O-CG1 3.38Å; E250-I254 PolarHBondContact O-N 3.09Å |
| 251 | R | 98 | Very high | 97.9 | Very high | 151 Ų | 151 | 112.4 Ų | 112.4 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -57.9 | -45.6 | 172.6 | -76.9 | 176.2 | 175 | 151.9 | 4.7 | 112.1 | E247 K248 I254 L255 | E247-R251 WeakPolarHBondContact O-CB 3.42Å; E247-R251 WeakPolarHBondContact O-CG 3.28Å; E247-R251 PolarHBondContact O-N 2.87Å; E247-R251 IonicContact OE1-CZ 2.78Å; E247-R251 IonicContact OE1-NE 2.85Å; E247-R251 IonicContact OE1-NH1 2.8Å; E247-R251 PolarHBondContact OE1-NH1 3.38Å; E247-R251 IonicContact OE1-NH2 3.45Å; E247-R251 PolarHBondContact OE1-NH2 3.29Å; K248-R251 PolarHBondContact O-N 2.87Å; R251-I254 PolarHBondContact O-N 2.61Å; R251-L255 WeakPolarHBondContact O-CB 3.23Å; R251-L255 WeakPolarHBondContact O-CG 3.12Å; R251-L255 PolarHBondContact O-N 3.37Å |
| 252 | E | 97.9 | Very high | 97.9 | Very high | 130 Ų | 130 | 116.1 Ų | 116.1 | 61% | 0.607 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.6 | -40.6 | 178.4 | -173.1 | 173.3 | 179.9 | 0 | 0 | 111.8 | K248 L249 E250 L255 L256 | K248-E252 WeakPolarHBondContact O-CB 3.24Å; K248-E252 PolarHBondContact O-N 3.44Å; L249-E252 PolarHBondContact O-N 3.03Å; E250-E252 VanDerWaalsContact C-N 3.34Å; E250-E252 PolarHBondContact O-N 3.08Å; E252-L255 PolarHBondContact O-N 3.27Å; E252-L256 VanDerWaalsContact O-CB 3.32Å; E252-L256 WeakPolarHBondContact O-CB 3.35Å; E252-L256 PolarHBondContact O-N 3.02Å |
| 253 | N | 98.4 | Very high | 97.9 | Very high | 81 Ų | 81 | 113.4 Ų | 113.4 | 43% | 0.433 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 176.9 | -172.4 | 34.5 | 0 | 0 | 0 | 111.9 | L249 E250 L256 Q257 | L249-N253 WeakPolarHBondContact O-CB 3.32Å; L249-N253 PolarHBondContact O-N 3.12Å; E250-N253 PolarHBondContact O-N 3.31Å; N253-L256 PolarHBondContact O-N 2.86Å; N253-Q257 WeakPolarHBondContact O-CB 3.33Å; N253-Q257 PolarHBondContact O-N 3.42Å |
| 254 | I | 98.1 | Very high | 97.9 | Very high | 72 Ų | 72 | 113.9 Ų | 113.9 | 37% | 0.369 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 176 | -67.1 | 166.7 | 0 | 0 | 0 | 110.7 | E250 R251 L256 Q257 Q258 | E250-I254 HydrophobicContact CG-CD1 4.15Å; E250-I254 WeakPolarHBondContact O-CG1 3.38Å; E250-I254 PolarHBondContact O-N 3.09Å; R251-I254 PolarHBondContact O-N 2.61Å; I254-L256 VanDerWaalsContact C-N 3.34Å; I254-L256 PolarHBondContact O-N 3.47Å; I254-Q257 PolarHBondContact O-N 3.35Å; I254-Q258 WeakPolarHBondContact O-CG 3.44Å; I254-Q258 PolarHBondContact O-N 2.85Å |
| 255 | L | 98.3 | Very high | 97.8 | Very high | 110 Ų | 110 | 114.4 Ų | 114.4 | 58% | 0.576 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.3 | -42.6 | 176.8 | -76 | 172.7 | 0 | 0 | 0 | 111.6 | R251 E252 Q257 Q258 K259 | R251-L255 WeakPolarHBondContact O-CB 3.23Å; R251-L255 WeakPolarHBondContact O-CG 3.12Å; R251-L255 PolarHBondContact O-N 3.37Å; E252-L255 PolarHBondContact O-N 3.27Å; L255-Q257 VanDerWaalsContact C-N 3.34Å; L255-Q257 PolarHBondContact O-N 2.89Å; L255-Q258 PolarHBondContact O-N 3.45Å; L255-K259 WeakPolarHBondContact O-CB 3.19Å; L255-K259 PolarHBondContact O-N 3.26Å |
| 256 | L | 98.1 | Very high | 97.8 | Very high | 82 Ų | 82 | 114 Ų | 114 | 43% | 0.429 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 176.5 | -175.6 | 65.3 | 0 | 0 | 0 | 111.3 | E252 N253 I254 K259 K260 | E252-L256 VanDerWaalsContact O-CB 3.32Å; E252-L256 WeakPolarHBondContact O-CB 3.35Å; E252-L256 PolarHBondContact O-N 3.02Å; N253-L256 PolarHBondContact O-N 2.86Å; I254-L256 VanDerWaalsContact C-N 3.34Å; I254-L256 PolarHBondContact O-N 3.47Å; L256-K259 PolarHBondContact O-N 2.83Å; L256-K260 HydrophobicContact CG-CD 4.49Å; L256-K260 WeakPolarHBondContact O-CB 3.41Å; L256-K260 WeakPolarHBondContact O-CG 3.28Å; L256-K260 PolarHBondContact O-N 3.42Å |
| 257 | Q | 97.9 | Very high | 97.7 | Very high | 101 Ų | 101 | 116 Ų | 116 | 47% | 0.472 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 176.5 | -166.4 | -173.1 | 15.8 | 0 | 0 | 111.5 | N253 I254 L255 K260 K261 | N253-Q257 WeakPolarHBondContact O-CB 3.33Å; N253-Q257 PolarHBondContact O-N 3.42Å; I254-Q257 PolarHBondContact O-N 3.35Å; L255-Q257 VanDerWaalsContact C-N 3.34Å; L255-Q257 PolarHBondContact O-N 2.89Å; Q257-K260 PolarHBondContact O-N 2.89Å; Q257-K261 WeakPolarHBondContact O-CG 3.31Å; Q257-K261 PolarHBondContact O-N 3.42Å |
| 258 | Q | 97.8 | Very high | 97.7 | Very high | 109 Ų | 109 | 116.5 Ų | 116.5 | 51% | 0.509 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 174.4 | -74.4 | -179.2 | -9.4 | 0 | 0 | 111.4 | I254 L255 K260 K261 M262 | I254-Q258 WeakPolarHBondContact O-CG 3.44Å; I254-Q258 PolarHBondContact O-N 2.85Å; L255-Q258 PolarHBondContact O-N 3.45Å; Q258-K260 PolarHBondContact O-N 2.92Å; Q258-K261 PolarHBondContact O-N 3.07Å; Q258-M262 WeakPolarHBondContact O-CG 3.46Å; Q258-M262 PolarHBondContact O-N 3.36Å |
| 259 | K | 98.3 | Very high | 97.6 | Very high | 143 Ų | 143 | 115.7 Ų | 115.7 | 62% | 0.622 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -56.4 | -50.6 | 175.3 | -177.4 | -179.9 | 178.1 | 180 | 0 | 111 | L255 L256 K261 M262 T263 | L255-K259 WeakPolarHBondContact O-CB 3.19Å; L255-K259 PolarHBondContact O-N 3.26Å; L256-K259 PolarHBondContact O-N 2.83Å; K259-K261 VanDerWaalsContact C-N 3.32Å; K259-K261 PolarHBondContact O-N 3.31Å; K259-M262 PolarHBondContact O-N 2.94Å; K259-T263 WeakPolarHBondContact O-CB 3.29Å; K259-T263 PolarHBondContact O-N 3.46Å; K259-T263 PolarHBondContact O-OG1 2.07Å; K259-T263 VanDerWaalsContact O-OG1 3.06Å |
| 260 | K | 97.8 | Very high | 97.5 | Very high | 137 Ų | 137 | 113.3 Ų | 113.3 | 60% | 0.596 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -57.7 | -42.5 | 177.3 | -75.7 | 177 | 179.1 | 179.4 | 0 | 112.3 | L256 Q257 Q258 K264 | L256-K260 HydrophobicContact CG-CD 4.49Å; L256-K260 WeakPolarHBondContact O-CB 3.41Å; L256-K260 WeakPolarHBondContact O-CG 3.28Å; L256-K260 PolarHBondContact O-N 3.42Å; Q257-K260 PolarHBondContact O-N 2.89Å; Q258-K260 PolarHBondContact O-N 2.92Å; K260-K264 WeakPolarHBondContact O-CB 3.38Å; K260-K264 PolarHBondContact O-N 3.01Å |
| 261 | K | 98.1 | Very high | 97.4 | Very high | 124 Ų | 124 | 109.9 Ų | 109.9 | 54% | 0.539 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 176.4 | -75.2 | 175.5 | 179.8 | 177 | 0 | 111.9 | Q257 Q258 K259 K265 | Q257-K261 WeakPolarHBondContact O-CG 3.31Å; Q257-K261 PolarHBondContact O-N 3.42Å; Q258-K261 PolarHBondContact O-N 3.07Å; K259-K261 VanDerWaalsContact C-N 3.32Å; K259-K261 PolarHBondContact O-N 3.31Å; K261-K265 WeakPolarHBondContact O-CG 3.43Å; K261-K265 PolarHBondContact O-N 2.87Å |
| 262 | M | 97.3 | Very high | 97.3 | Very high | 126 Ų | 126 | 107.4 Ų | 107.4 | 62% | 0.621 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.1 | -46 | 177.7 | -74.4 | -60.9 | -61.4 | 0 | 0 | 111.8 | Q258 K259 K264 K265 F266 | Q258-M262 WeakPolarHBondContact O-CG 3.46Å; Q258-M262 PolarHBondContact O-N 3.36Å; K259-M262 PolarHBondContact O-N 2.94Å; M262-K264 PolarHBondContact O-N 2.84Å; M262-K265 PolarHBondContact O-N 3.32Å; M262-F266 WeakPolarHBondContact O-CB 3.22Å; M262-F266 PolarHBondContact O-N 2.94Å |
| 263 | T | 97.3 | Very high | 97.1 | Very high | 59 Ų | 59 | 105.5 Ų | 105.5 | 36% | 0.362 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.7 | -47.1 | 176.3 | -60.1 | 0 | 0 | 0 | 0 | 111.2 | K259 K265 F266 E267 | K259-T263 WeakPolarHBondContact O-CB 3.29Å; K259-T263 PolarHBondContact O-N 3.46Å; K259-T263 PolarHBondContact O-OG1 2.07Å; K259-T263 VanDerWaalsContact O-OG1 3.06Å; T263-K265 VanDerWaalsContact C-N 3.33Å; T263-K265 PolarHBondContact O-N 2.89Å; T263-F266 PolarHBondContact O-N 3.21Å; T263-E267 HydrophobicContact CG2-CG 4.38Å; T263-E267 WeakPolarHBondContact CG2-OE1 3.4Å; T263-E267 WeakPolarHBondContact O-CB 3.35Å; T263-E267 WeakPolarHBondContact O-CG 3.29Å; T263-E267 PolarHBondContact O-N 3.38Å |
| 264 | K | 98.1 | Very high | 97 | Very high | 152 Ų | 152 | 107.2 Ų | 107.2 | 66% | 0.661 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.2 | -38.2 | 177.6 | -173.2 | 175.8 | -178.8 | 178.7 | 0 | 112.9 | K260 M262 L268 | K260-K264 WeakPolarHBondContact O-CB 3.38Å; K260-K264 PolarHBondContact O-N 3.01Å; M262-K264 PolarHBondContact O-N 2.84Å; K264-L268 WeakPolarHBondContact O-CB 3.35Å; K264-L268 PolarHBondContact O-N 2.89Å; K264-L268 VanDerWaalsContact O-N 3.08Å |
| 265 | K | 97.4 | Very high | 97 | Very high | 145 Ų | 145 | 110.1 Ų | 110.1 | 63% | 0.63 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.7 | -46.1 | 174.9 | -78.5 | -174.6 | 175.6 | -167.9 | 0 | 111.3 | K261 M262 T263 L268 E269 | K261-K265 WeakPolarHBondContact O-CG 3.43Å; K261-K265 PolarHBondContact O-N 2.87Å; M262-K265 PolarHBondContact O-N 3.32Å; T263-K265 VanDerWaalsContact C-N 3.33Å; T263-K265 PolarHBondContact O-N 2.89Å; K265-L268 PolarHBondContact O-N 3.46Å; K265-E269 WeakPolarHBondContact O-CB 3.37Å; K265-E269 PolarHBondContact O-N 2.66Å |
| 266 | F | 97 | Very high | 96.9 | Very high | 144 Ų | 144 | 110.1 Ų | 110.1 | 63% | 0.632 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.2 | -43.8 | 178.3 | 178.4 | -96.8 | 0 | 0 | 0 | 111.9 | M262 T263 L268 E269 S270 | M262-F266 WeakPolarHBondContact O-CB 3.22Å; M262-F266 PolarHBondContact O-N 2.94Å; T263-F266 PolarHBondContact O-N 3.21Å; F266-L268 VanDerWaalsContact C-N 3.33Å; F266-L268 PolarHBondContact O-N 3.34Å; F266-E269 PolarHBondContact O-N 2.87Å; F266-S270 WeakPolarHBondContact O-CB 3.43Å; F266-S270 PolarHBondContact O-N 2.88Å |
| 267 | E | 96.8 | Very high | 96.7 | Very high | 121 Ų | 121 | 110.7 Ų | 110.7 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.4 | -41.1 | 175.3 | -73.7 | 168.6 | 178.7 | 0 | 0 | 111.9 | T263 G271 | T263-E267 HydrophobicContact CG2-CG 4.38Å; T263-E267 WeakPolarHBondContact CG2-OE1 3.4Å; T263-E267 WeakPolarHBondContact O-CB 3.35Å; T263-E267 WeakPolarHBondContact O-CG 3.29Å; T263-E267 PolarHBondContact O-N 3.38Å; E267-G271 PolarHBondContact O-N 2.97Å |
| 268 | L | 96.9 | Very high | 96.6 | Very high | 107 Ų | 107 | 110.7 Ų | 110.7 | 56% | 0.56 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.7 | -49.3 | 176.6 | -171.1 | 110.4 | 0 | 0 | 0 | 111.5 | K264 K265 F266 G271 E272 | K264-L268 WeakPolarHBondContact O-CB 3.35Å; K264-L268 PolarHBondContact O-N 2.89Å; K264-L268 VanDerWaalsContact O-N 3.08Å; K265-L268 PolarHBondContact O-N 3.46Å; F266-L268 VanDerWaalsContact C-N 3.33Å; F266-L268 PolarHBondContact O-N 3.34Å; L268-G271 PolarHBondContact O-N 2.95Å; L268-E272 WeakPolarHBondContact CD2-OE1 3.08Å; L268-E272 WeakPolarHBondContact O-CG 3.29Å; L268-E272 PolarHBondContact O-N 3.04Å |
| 269 | E | 96.1 | Very high | 96.5 | Very high | 130 Ų | 130 | 111.7 Ų | 111.7 | 61% | 0.607 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.2 | -42.5 | 178.8 | -174.9 | 173.4 | -165.7 | 0 | 0 | 111.5 | K265 F266 G271 E272 E273 | K265-E269 WeakPolarHBondContact O-CB 3.37Å; K265-E269 PolarHBondContact O-N 2.66Å; F266-E269 PolarHBondContact O-N 2.87Å; E269-G271 VanDerWaalsContact C-N 3.35Å; E269-G271 PolarHBondContact O-N 3.11Å; E269-E272 PolarHBondContact O-N 3.49Å; E269-E273 WeakPolarHBondContact O-CB 3.43Å; E269-E273 PolarHBondContact O-N 3.38Å |
| 270 | S | 94.9 | Very high | 96.4 | Very high | 60 Ų | 60 | 108 Ų | 108 | 42% | 0.42 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 174.2 | -174.7 | 0 | 0 | 0 | 0 | 111.7 | F266 E273 E274 | F266-S270 WeakPolarHBondContact O-CB 3.43Å; F266-S270 PolarHBondContact O-N 2.88Å; S270-E273 PolarHBondContact O-N 2.87Å; S270-E274 WeakPolarHBondContact O-CB 3.47Å; S270-E274 PolarHBondContact O-N 3.44Å |
| 271 | G | 96.3 | Very high | 96.3 | Very high | 24 Ų | 24 | 104.1 Ų | 104.1 | 25% | 0.247 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -70.3 | -33.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E267 L268 E269 K275 | E267-G271 PolarHBondContact O-N 2.97Å; L268-G271 PolarHBondContact O-N 2.95Å; E269-G271 VanDerWaalsContact C-N 3.35Å; E269-G271 PolarHBondContact O-N 3.11Å; G271-K275 VanDerWaalsContact O-CG 3.27Å; G271-K275 WeakPolarHBondContact O-CG 3.32Å; G271-K275 PolarHBondContact O-N 3.09Å; G271-K275 VanDerWaalsContact O-N 3.08Å |
| 272 | E | 95.3 | Very high | 96.2 | Very high | 99 Ų | 99 | 99.6 Ų | 99.6 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.2 | -41.2 | 171.9 | -75.9 | 177.1 | -174 | 0 | 0 | 111.6 | L268 E269 K275 K276 | L268-E272 WeakPolarHBondContact CD2-OE1 3.08Å; L268-E272 WeakPolarHBondContact O-CG 3.29Å; L268-E272 PolarHBondContact O-N 3.04Å; E269-E272 PolarHBondContact O-N 3.49Å; E272-K275 WeakPolarHBondContact O-CB 3.47Å; E272-K275 PolarHBondContact O-N 3.3Å; E272-K276 WeakPolarHBondContact O-CG 3.42Å; E272-K276 PolarHBondContact O-N 2.94Å |
| 273 | E | 93.9 | Very high | 96.1 | Very high | 90 Ų | 90 | 97.1 Ų | 97.1 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.2 | -40.2 | 177.5 | -160.7 | 62.3 | -162.6 | 0 | 0 | 111.6 | E269 S270 K275 K276 I277 | E269-E273 WeakPolarHBondContact O-CB 3.43Å; E269-E273 PolarHBondContact O-N 3.38Å; S270-E273 PolarHBondContact O-N 2.87Å; E273-K275 VanDerWaalsContact C-N 3.3Å; E273-K275 PolarHBondContact O-N 3.13Å; E273-K276 PolarHBondContact O-N 2.84Å; E273-K276 IonicContact OE2-NZ 3.96Å; E273-K276 PolarHBondContact OE2-NZ 2.92Å; E273-I277 HydrophobicContact CG-CD1 4.3Å; E273-I277 WeakPolarHBondContact O-CB 3.24Å; E273-I277 VanDerWaalsContact O-CG1 3.3Å; E273-I277 WeakPolarHBondContact O-CG1 3.28Å; E273-I277 PolarHBondContact O-N 3.35Å |
| 274 | E | 96.6 | Very high | 96 | Very high | 117 Ų | 117 | 98.9 Ų | 98.9 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.2 | -41 | 171.9 | -173.6 | -180 | 179.8 | 0 | 0 | 111.6 | S270 I277 N278 | S270-E274 WeakPolarHBondContact O-CB 3.47Å; S270-E274 PolarHBondContact O-N 3.44Å; E274-I277 PolarHBondContact O-N 3Å; E274-N278 WeakPolarHBondContact O-CB 3.47Å; E274-N278 PolarHBondContact O-N 3.44Å |
| 275 | K | 96.4 | Very high | 95.9 | Very high | 133 Ų | 133 | 97.7 Ų | 97.7 | 58% | 0.578 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.2 | -47.4 | 173.3 | -76.2 | 172.8 | -176.2 | -179.6 | 0 | 112.1 | G271 E272 E273 I277 N278 E279 | G271-K275 VanDerWaalsContact O-CG 3.27Å; G271-K275 WeakPolarHBondContact O-CG 3.32Å; G271-K275 PolarHBondContact O-N 3.09Å; G271-K275 VanDerWaalsContact O-N 3.08Å; E272-K275 WeakPolarHBondContact O-CB 3.47Å; E272-K275 PolarHBondContact O-N 3.3Å; E273-K275 VanDerWaalsContact C-N 3.3Å; E273-K275 PolarHBondContact O-N 3.13Å; K275-I277 VanDerWaalsContact C-N 3.32Å; K275-I277 PolarHBondContact O-N 3.14Å; K275-N278 PolarHBondContact O-N 3.43Å; K275-E279 WeakPolarHBondContact O-CB 3.13Å; K275-E279 VanDerWaalsContact O-CG 3.28Å; K275-E279 WeakPolarHBondContact O-CG 3.34Å; K275-E279 PolarHBondContact O-N 3.4Å |
| 276 | K | 96.1 | Very high | 95.8 | Very high | 110 Ų | 110 | 97.2 Ų | 97.2 | 48% | 0.478 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 176.7 | -70.5 | -179 | -152.9 | 150.1 | 0 | 112.2 | E272 E273 E279 S280 | E272-K276 WeakPolarHBondContact O-CG 3.42Å; E272-K276 PolarHBondContact O-N 2.94Å; E273-K276 PolarHBondContact O-N 2.84Å; E273-K276 IonicContact OE2-NZ 3.96Å; E273-K276 PolarHBondContact OE2-NZ 2.92Å; K276-E279 PolarHBondContact O-N 3.44Å; K276-S280 VanDerWaalsContact O-CB 3.28Å; K276-S280 WeakPolarHBondContact O-CB 3.42Å; K276-S280 PolarHBondContact O-N 2.94Å; K276-S280 PolarHBondContact O-OG 3.4Å |
| 277 | I | 95.3 | Very high | 95.8 | Very high | 94 Ų | 94 | 94.6 Ų | 94.6 | 48% | 0.482 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 176.5 | -69.4 | 167.5 | 0 | 0 | 0 | 109.7 | E273 E274 K275 S280 C281 | E273-I277 HydrophobicContact CG-CD1 4.3Å; E273-I277 WeakPolarHBondContact O-CB 3.24Å; E273-I277 VanDerWaalsContact O-CG1 3.3Å; E273-I277 WeakPolarHBondContact O-CG1 3.28Å; E273-I277 PolarHBondContact O-N 3.35Å; E274-I277 PolarHBondContact O-N 3Å; K275-I277 VanDerWaalsContact C-N 3.32Å; K275-I277 PolarHBondContact O-N 3.14Å; I277-S280 WeakPolarHBondContact CA-OG 3.43Å; I277-S280 PolarHBondContact O-N 3.11Å; I277-S280 PolarHBondContact O-OG 3.01Å; I277-C281 WeakPolarHBondContact O-CB 3.46Å; I277-C281 PolarHBondContact O-N 2.91Å |
| 278 | N | 95.8 | Very high | 95.7 | Very high | 100 Ų | 100 | 94.6 Ų | 94.6 | 54% | 0.535 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 177.7 | -80.3 | -20.1 | 0 | 0 | 0 | 112.7 | E274 K275 G282 | E274-N278 WeakPolarHBondContact O-CB 3.47Å; E274-N278 PolarHBondContact O-N 3.44Å; K275-N278 PolarHBondContact O-N 3.43Å; N278-G282 PolarHBondContact O-N 2.93Å |
| 279 | E | 96.1 | Very high | 95.6 | Very high | 131 Ų | 131 | 94.3 Ų | 94.3 | 61% | 0.612 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.1 | -50 | 175.9 | -74.5 | 168.3 | -169.1 | 0 | 0 | 111 | K275 K276 C281 G282 T283 | K275-E279 WeakPolarHBondContact O-CB 3.13Å; K275-E279 VanDerWaalsContact O-CG 3.28Å; K275-E279 WeakPolarHBondContact O-CG 3.34Å; K275-E279 PolarHBondContact O-N 3.4Å; K276-E279 PolarHBondContact O-N 3.44Å; E279-C281 PolarHBondContact O-N 3.47Å; E279-G282 WeakPolarHBondContact O-CA 3.4Å; E279-G282 PolarHBondContact O-N 3.18Å; E279-T283 PolarHBondContact O-N 2.89Å; E279-T283 PolarHBondContact O-OG1 3.45Å; E279-T283 VanDerWaalsContact O-OG1 3.08Å |
| 280 | S | 95.8 | Very high | 95.7 | Very high | 66 Ų | 66 | 93.2 Ų | 93.2 | 46% | 0.462 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 177.4 | 60.4 | 0 | 0 | 0 | 0 | 112.5 | K276 I277 G282 T283 V284 | K276-S280 VanDerWaalsContact O-CB 3.28Å; K276-S280 WeakPolarHBondContact O-CB 3.42Å; K276-S280 PolarHBondContact O-N 2.94Å; K276-S280 PolarHBondContact O-OG 3.4Å; I277-S280 WeakPolarHBondContact CA-OG 3.43Å; I277-S280 PolarHBondContact O-N 3.11Å; I277-S280 PolarHBondContact O-OG 3.01Å; S280-G282 VanDerWaalsContact C-N 3.34Å; S280-T283 PolarHBondContact O-N 3.08Å; S280-V284 VanDerWaalsContact O-CG2 3.3Å; S280-V284 WeakPolarHBondContact O-CG2 3.41Å; S280-V284 PolarHBondContact O-N 3.15Å |
| 281 | C | 95 | Very high | 95.6 | Very high | 55 Ų | 55 | 95.8 Ų | 95.8 | 37% | 0.372 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 173 | -170.2 | 0 | 0 | 0 | 0 | 110.6 | I277 E279 V284 F285 | I277-C281 WeakPolarHBondContact O-CB 3.46Å; I277-C281 PolarHBondContact O-N 2.91Å; E279-C281 PolarHBondContact O-N 3.47Å; C281-V284 PolarHBondContact O-N 2.91Å; C281-F285 WeakPolarHBondContact O-CB 3.2Å; C281-F285 WeakPolarHBondContact O-CD2 3.32Å; C281-F285 PolarHBondContact O-N 3.42Å; C281-F285 WeakPolarHBondContact SG-CE2 3.47Å |
| 282 | G | 95.8 | Very high | 95.7 | Very high | 29 Ų | 29 | 101.3 Ų | 101.3 | 30% | 0.299 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.1 | -49.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N278 E279 S280 V284 F285 E286 | N278-G282 PolarHBondContact O-N 2.93Å; E279-G282 WeakPolarHBondContact O-CA 3.4Å; E279-G282 PolarHBondContact O-N 3.18Å; S280-G282 VanDerWaalsContact C-N 3.34Å; G282-V284 PolarHBondContact O-N 2.98Å; G282-F285 PolarHBondContact O-N 2.81Å; G282-E286 WeakPolarHBondContact O-CG 3.49Å; G282-E286 PolarHBondContact O-N 3.15Å |
| 283 | T | 95.8 | Very high | 95.7 | Very high | 73 Ų | 73 | 101.2 Ų | 101.2 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 176.3 | -54.5 | 0 | 0 | 0 | 0 | 112.3 | E279 S280 F285 E286 N287 | E279-T283 PolarHBondContact O-N 2.89Å; E279-T283 PolarHBondContact O-OG1 3.45Å; E279-T283 VanDerWaalsContact O-OG1 3.08Å; S280-T283 PolarHBondContact O-N 3.08Å; T283-F285 VanDerWaalsContact C-N 3.33Å; T283-F285 PolarHBondContact O-N 3.49Å; T283-E286 PolarHBondContact O-N 3.26Å; T283-N287 WeakPolarHBondContact O-CB 3.48Å; T283-N287 PolarHBondContact O-N 2.91Å; T283-N287 PolarHBondContact O-ND2 3.39Å |
| 284 | V | 95.4 | Very high | 95.8 | Very high | 97 Ų | 97 | 102 Ų | 102 | 59% | 0.588 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.8 | -40.8 | 176.7 | 170.7 | 0 | 0 | 0 | 0 | 111 | S280 C281 G282 F288 | S280-V284 VanDerWaalsContact O-CG2 3.3Å; S280-V284 WeakPolarHBondContact O-CG2 3.41Å; S280-V284 PolarHBondContact O-N 3.15Å; C281-V284 PolarHBondContact O-N 2.91Å; G282-V284 PolarHBondContact O-N 2.98Å; V284-F288 WeakPolarHBondContact O-CB 3.37Å; V284-F288 PolarHBondContact O-N 2.95Å |
| 285 | F | 95.3 | Very high | 95.8 | Very high | 127 Ų | 127 | 101.7 Ų | 101.7 | 56% | 0.557 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.2 | -44.7 | 175.4 | -89.8 | -64.7 | 0 | 0 | 0 | 112.4 | C281 G282 T283 F288 I289 | C281-F285 WeakPolarHBondContact O-CB 3.2Å; C281-F285 WeakPolarHBondContact O-CD2 3.32Å; C281-F285 PolarHBondContact O-N 3.42Å; C281-F285 WeakPolarHBondContact SG-CE2 3.47Å; G282-F285 PolarHBondContact O-N 2.81Å; T283-F285 VanDerWaalsContact C-N 3.33Å; T283-F285 PolarHBondContact O-N 3.49Å; F285-F288 PolarHBondContact O-N 2.6Å; F285-I289 VanDerWaalsContact O-CG1 3.3Å; F285-I289 WeakPolarHBondContact O-CG1 3.22Å; F285-I289 PolarHBondContact O-N 3.26Å |
| 286 | E | 96 | Very high | 95.8 | Very high | 134 Ų | 134 | 99.9 Ų | 99.9 | 63% | 0.626 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62 | -45.7 | 176.2 | -74.4 | 179.7 | 175.6 | 0 | 0 | 111.6 | G282 T283 F288 I289 Q290 | G282-E286 WeakPolarHBondContact O-CG 3.49Å; G282-E286 PolarHBondContact O-N 3.15Å; T283-E286 PolarHBondContact O-N 3.26Å; E286-F288 VanDerWaalsContact C-N 3.32Å; E286-F288 PolarHBondContact O-N 3.49Å; E286-I289 PolarHBondContact O-N 3Å; E286-I289 VanDerWaalsContact O-N 3.17Å; E286-Q290 PolarHBondContact O-N 2.72Å |
| 287 | N | 96.1 | Very high | 95.8 | Very high | 89 Ų | 89 | 100.1 Ų | 100.1 | 48% | 0.476 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.8 | -43.7 | 175.1 | -72.3 | -16.8 | 0 | 0 | 0 | 111.7 | T283 I289 Q290 E291 | T283-N287 WeakPolarHBondContact O-CB 3.48Å; T283-N287 PolarHBondContact O-N 2.91Å; T283-N287 PolarHBondContact O-ND2 3.39Å; N287-I289 VanDerWaalsContact C-N 3.34Å; N287-I289 PolarHBondContact O-N 3.02Å; N287-Q290 PolarHBondContact O-N 3.2Å; N287-E291 WeakPolarHBondContact O-CB 3.47Å; N287-E291 PolarHBondContact O-N 2.93Å |
| 288 | F | 95.2 | Very high | 95.8 | Very high | 122 Ų | 122 | 100.5 Ų | 100.5 | 54% | 0.535 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 176.5 | 174.3 | -101 | 0 | 0 | 0 | 112.2 | V284 F285 E286 Q290 K292 | V284-F288 WeakPolarHBondContact O-CB 3.37Å; V284-F288 PolarHBondContact O-N 2.95Å; F285-F288 PolarHBondContact O-N 2.6Å; E286-F288 VanDerWaalsContact C-N 3.32Å; E286-F288 PolarHBondContact O-N 3.49Å; F288-Q290 VanDerWaalsContact C-N 3.34Å; F288-K292 VanDerWaalsContact O-CB 3.23Å; F288-K292 WeakPolarHBondContact O-CB 3.49Å; F288-K292 PolarHBondContact O-N 2.87Å |
| 289 | I | 95.8 | Very high | 95.8 | Very high | 100 Ų | 100 | 101.3 Ų | 101.3 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 175.3 | -69.8 | 166.5 | 0 | 0 | 0 | 110 | F285 E286 N287 K292 E293 | F285-I289 VanDerWaalsContact O-CG1 3.3Å; F285-I289 WeakPolarHBondContact O-CG1 3.22Å; F285-I289 PolarHBondContact O-N 3.26Å; E286-I289 PolarHBondContact O-N 3Å; E286-I289 VanDerWaalsContact O-N 3.17Å; N287-I289 VanDerWaalsContact C-N 3.34Å; N287-I289 PolarHBondContact O-N 3.02Å; I289-K292 PolarHBondContact O-N 3.41Å; I289-E293 WeakPolarHBondContact O-CB 3.49Å; I289-E293 PolarHBondContact O-N 3.43Å |
| 290 | Q | 96.3 | Very high | 95.7 | Very high | 108 Ų | 108 | 100.2 Ų | 100.2 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -49 | 178.6 | -175.2 | 178.7 | -14.6 | 0 | 0 | 111.9 | E286 N287 F288 K292 E293 E294 | E286-Q290 PolarHBondContact O-N 2.72Å; N287-Q290 PolarHBondContact O-N 3.2Å; F288-Q290 VanDerWaalsContact C-N 3.34Å; Q290-K292 VanDerWaalsContact C-N 3.31Å; Q290-K292 PolarHBondContact O-N 3.26Å; Q290-E293 PolarHBondContact O-N 2.9Å; Q290-E294 HydrophobicContact CG-CG 4.5Å; Q290-E294 WeakPolarHBondContact CG-OE1 3.33Å; Q290-E294 PolarHBondContact NE2-OE1 3.18Å; Q290-E294 WeakPolarHBondContact O-CG 3.46Å; Q290-E294 PolarHBondContact O-N 3.44Å |
| 291 | E | 94.4 | Very high | 95.8 | Very high | 114 Ų | 114 | 99.5 Ų | 99.5 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59 | -43.3 | 177.7 | -176.1 | -177.7 | -174.3 | 0 | 0 | 111.2 | N287 E293 E294 L295 | N287-E291 WeakPolarHBondContact O-CB 3.47Å; N287-E291 PolarHBondContact O-N 2.93Å; E291-E293 VanDerWaalsContact C-N 3.31Å; E291-E293 PolarHBondContact O-N 2.91Å; E291-E294 PolarHBondContact O-N 2.86Å; E291-L295 HydrophobicContact CG-CD1 4.22Å; E291-L295 WeakPolarHBondContact O-CB 3.46Å; E291-L295 WeakPolarHBondContact O-CG 3.29Å; E291-L295 PolarHBondContact O-N 2.86Å |
| 292 | K | 96.6 | Very high | 95.8 | Very high | 139 Ų | 139 | 99.8 Ų | 99.8 | 60% | 0.604 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.7 | -42.3 | 174.2 | 179.4 | -172.4 | 170.7 | -174.6 | 0 | 111.6 | F288 I289 Q290 L296 | F288-K292 VanDerWaalsContact O-CB 3.23Å; F288-K292 WeakPolarHBondContact O-CB 3.49Å; F288-K292 PolarHBondContact O-N 2.87Å; I289-K292 PolarHBondContact O-N 3.41Å; Q290-K292 VanDerWaalsContact C-N 3.31Å; Q290-K292 PolarHBondContact O-N 3.26Å; K292-L296 WeakPolarHBondContact O-CB 3.25Å; K292-L296 PolarHBondContact O-N 3.06Å |
| 293 | E | 96.6 | Very high | 95.8 | Very high | 98 Ų | 98 | 101.5 Ų | 101.5 | 46% | 0.458 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.1 | -39 | 179.6 | -160.9 | -176.8 | 143 | 0 | 0 | 112 | I289 Q290 E291 L296 K297 | I289-E293 WeakPolarHBondContact O-CB 3.49Å; I289-E293 PolarHBondContact O-N 3.43Å; Q290-E293 PolarHBondContact O-N 2.9Å; E291-E293 VanDerWaalsContact C-N 3.31Å; E291-E293 PolarHBondContact O-N 2.91Å; E293-L296 PolarHBondContact O-N 3.22Å; E293-K297 WeakPolarHBondContact O-CG 3.48Å; E293-K297 PolarHBondContact O-N 3.46Å; E293-K297 WeakPolarHBondContact OE1-CE 3.38Å; E293-K297 IonicContact OE1-NZ 2.72Å; E293-K297 PolarHBondContact OE1-NZ 3.43Å |
| 294 | E | 95.9 | Very high | 95.8 | Very high | 106 Ų | 106 | 103.1 Ų | 103.1 | 50% | 0.495 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.6 | -46 | 173.4 | -74.7 | 175.7 | -169 | 0 | 0 | 111.6 | Q290 E291 L296 K297 Q298 | Q290-E294 HydrophobicContact CG-CG 4.5Å; Q290-E294 WeakPolarHBondContact CG-OE1 3.33Å; Q290-E294 PolarHBondContact NE2-OE1 3.18Å; Q290-E294 WeakPolarHBondContact O-CG 3.46Å; Q290-E294 PolarHBondContact O-N 3.44Å; E291-E294 PolarHBondContact O-N 2.86Å; E294-L296 VanDerWaalsContact C-N 3.28Å; E294-L296 PolarHBondContact O-N 2.98Å; E294-K297 PolarHBondContact O-N 2.92Å; E294-Q298 WeakPolarHBondContact O-CB 3.33Å; E294-Q298 PolarHBondContact O-N 3.11Å |
| 295 | L | 95.8 | Very high | 95.8 | Very high | 111 Ų | 111 | 103.5 Ų | 103.5 | 58% | 0.581 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.9 | -38.5 | 173.5 | -79.7 | 170.2 | 0 | 0 | 0 | 112.1 | E291 Q298 H299 | E291-L295 HydrophobicContact CG-CD1 4.22Å; E291-L295 WeakPolarHBondContact O-CB 3.46Å; E291-L295 WeakPolarHBondContact O-CG 3.29Å; E291-L295 PolarHBondContact O-N 2.86Å; L295-Q298 PolarHBondContact O-N 2.88Å; L295-H299 VanDerWaalsContact O-CB 3.31Å; L295-H299 WeakPolarHBondContact O-CB 3.39Å; L295-H299 PolarHBondContact O-N 2.98Å |
| 296 | L | 96.3 | Very high | 95.7 | Very high | 94 Ų | 94 | 102.5 Ų | 102.5 | 49% | 0.492 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 176 | -173.2 | 68.2 | 0 | 0 | 0 | 111.5 | K292 E293 E294 H299 Q300 | K292-L296 WeakPolarHBondContact O-CB 3.25Å; K292-L296 PolarHBondContact O-N 3.06Å; E293-L296 PolarHBondContact O-N 3.22Å; E294-L296 VanDerWaalsContact C-N 3.28Å; E294-L296 PolarHBondContact O-N 2.98Å; L296-H299 PolarHBondContact O-N 3.35Å; L296-Q300 WeakPolarHBondContact O-CG 3.31Å; L296-Q300 PolarHBondContact O-N 3.23Å |
| 297 | K | 96.4 | Very high | 95.6 | Very high | 115 Ų | 115 | 100.3 Ų | 100.3 | 50% | 0.5 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 175 | -74.1 | 169.2 | -174.9 | 158.4 | 0 | 111.3 | E293 E294 Q300 S301 | E293-K297 WeakPolarHBondContact O-CG 3.48Å; E293-K297 PolarHBondContact O-N 3.46Å; E293-K297 WeakPolarHBondContact OE1-CE 3.38Å; E293-K297 IonicContact OE1-NZ 2.72Å; E293-K297 PolarHBondContact OE1-NZ 3.43Å; E294-K297 PolarHBondContact O-N 2.92Å; K297-Q300 PolarHBondContact O-N 3.49Å; K297-S301 PolarHBondContact O-N 3.44Å |
| 298 | Q | 95.3 | Very high | 95.5 | Very high | 103 Ų | 103 | 102 Ų | 102 | 48% | 0.481 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.1 | -48.6 | 175.7 | -173.5 | 62.4 | 41.6 | 0 | 0 | 110.9 | E294 L295 Q300 S301 D302 | E294-Q298 WeakPolarHBondContact O-CB 3.33Å; E294-Q298 PolarHBondContact O-N 3.11Å; L295-Q298 PolarHBondContact O-N 2.88Å; Q298-Q300 VanDerWaalsContact C-N 3.3Å; Q298-Q300 PolarHBondContact O-N 2.96Å; Q298-S301 WeakPolarHBondContact O-CB 3.49Å; Q298-S301 PolarHBondContact O-N 2.96Å; Q298-S301 VanDerWaalsContact O-N 3.11Å; Q298-D302 PolarHBondContact NE2-OD1 2.92Å; Q298-D302 VanDerWaalsContact O-CG 3.3Å; Q298-D302 PolarHBondContact O-N 3.21Å |
| 299 | H | 95.4 | Very high | 95.4 | Very high | 116 Ų | 116 | 101.5 Ų | 101.5 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.9 | -40.4 | 178.5 | -178.7 | 56.7 | 0 | 0 | 0 | 112.6 | L295 L296 T303 | L295-H299 VanDerWaalsContact O-CB 3.31Å; L295-H299 WeakPolarHBondContact O-CB 3.39Å; L295-H299 PolarHBondContact O-N 2.98Å; L296-H299 PolarHBondContact O-N 3.35Å; H299-T303 WeakPolarHBondContact O-CB 3.21Å; H299-T303 PolarHBondContact O-N 3.38Å; H299-T303 PolarHBondContact O-OG1 2.88Å |
| 300 | Q | 95.9 | Very high | 95.4 | Very high | 109 Ų | 109 | 104.9 Ų | 104.9 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 174.7 | -72.9 | 172.6 | -3.3 | 0 | 0 | 111.8 | L296 K297 Q298 T303 L304 | L296-Q300 WeakPolarHBondContact O-CG 3.31Å; L296-Q300 PolarHBondContact O-N 3.23Å; K297-Q300 PolarHBondContact O-N 3.49Å; Q298-Q300 VanDerWaalsContact C-N 3.3Å; Q298-Q300 PolarHBondContact O-N 2.96Å; Q300-T303 PolarHBondContact O-N 3.27Å; Q300-L304 WeakPolarHBondContact O-CG 3.37Å; Q300-L304 PolarHBondContact O-N 3.02Å; Q300-L304 VanDerWaalsContact O-N 3.07Å |
| 301 | S | 96 | Very high | 95.3 | Very high | 50 Ų | 50 | 105.4 Ų | 105.4 | 35% | 0.35 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -47.3 | 175.9 | -177.5 | 0 | 0 | 0 | 0 | 112 | K297 Q298 T303 L304 Q305 | K297-S301 PolarHBondContact O-N 3.44Å; Q298-S301 WeakPolarHBondContact O-CB 3.49Å; Q298-S301 PolarHBondContact O-N 2.96Å; Q298-S301 VanDerWaalsContact O-N 3.11Å; S301-T303 VanDerWaalsContact C-N 3.27Å; S301-T303 PolarHBondContact O-N 3.47Å; S301-L304 WeakPolarHBondContact O-CB 3.31Å; S301-L304 PolarHBondContact O-N 3.5Å; S301-Q305 PolarHBondContact O-N 3.38Å |
| 302 | D | 94.9 | Very high | 95.2 | Very high | 61 Ų | 61 | 103.5 Ų | 103.5 | 33% | 0.326 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.5 | -37.3 | 178.3 | -66.9 | -13.2 | 0 | 0 | 0 | 111.3 | Q298 Q305 L306 | Q298-D302 PolarHBondContact NE2-OD1 2.92Å; Q298-D302 VanDerWaalsContact O-CG 3.3Å; Q298-D302 PolarHBondContact O-N 3.21Å; D302-Q305 PolarHBondContact O-N 3.42Å; D302-L306 WeakPolarHBondContact O-CB 3.34Å; D302-L306 VanDerWaalsContact O-CG 3.31Å; D302-L306 WeakPolarHBondContact O-CG 3.46Å; D302-L306 PolarHBondContact O-N 3.02Å |
| 303 | T | 95.8 | Very high | 95.1 | Very high | 66 Ų | 66 | 102.3 Ų | 102.3 | 41% | 0.405 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 175.3 | -59.6 | 0 | 0 | 0 | 0 | 111.3 | H299 Q300 S301 L306 E307 | H299-T303 WeakPolarHBondContact O-CB 3.21Å; H299-T303 PolarHBondContact O-N 3.38Å; H299-T303 PolarHBondContact O-OG1 2.88Å; Q300-T303 PolarHBondContact O-N 3.27Å; S301-T303 VanDerWaalsContact C-N 3.27Å; S301-T303 PolarHBondContact O-N 3.47Å; T303-L306 PolarHBondContact O-N 2.87Å; T303-E307 PolarHBondContact O-N 3.2Å |
| 304 | L | 95.9 | Very high | 94.9 | Very high | 107 Ų | 107 | 103 Ų | 103 | 56% | 0.56 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.4 | -46 | 175.4 | -70.7 | 172.2 | 0 | 0 | 0 | 111.7 | Q300 S301 L306 E307 E308 | Q300-L304 WeakPolarHBondContact O-CG 3.37Å; Q300-L304 PolarHBondContact O-N 3.02Å; Q300-L304 VanDerWaalsContact O-N 3.07Å; S301-L304 WeakPolarHBondContact O-CB 3.31Å; S301-L304 PolarHBondContact O-N 3.5Å; L304-L306 VanDerWaalsContact C-N 3.31Å; L304-L306 PolarHBondContact O-N 2.9Å; L304-E307 WeakPolarHBondContact O-CB 3.42Å; L304-E307 PolarHBondContact O-N 2.97Å; L304-E307 VanDerWaalsContact O-N 3.11Å; L304-E308 PolarHBondContact O-N 3.18Å |
| 305 | Q | 95.6 | Very high | 94.8 | Very high | 104 Ų | 104 | 101.3 Ų | 101.3 | 49% | 0.486 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 176 | -75.1 | -174.6 | -8.4 | 0 | 0 | 112.1 | S301 D302 E307 E308 L309 | S301-Q305 PolarHBondContact O-N 3.38Å; D302-Q305 PolarHBondContact O-N 3.42Å; Q305-E307 VanDerWaalsContact C-N 3.3Å; Q305-E307 PolarHBondContact O-N 3.44Å; Q305-E308 PolarHBondContact O-N 3.01Å; Q305-L309 WeakPolarHBondContact O-CB 3.38Å; Q305-L309 WeakPolarHBondContact O-CG 3.5Å; Q305-L309 PolarHBondContact O-N 2.97Å |
| 306 | L | 93.4 | Very high | 94.6 | Very high | 106 Ų | 106 | 101.6 Ų | 101.6 | 56% | 0.555 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.5 | -36.5 | 174.7 | -81.1 | 171.1 | 0 | 0 | 0 | 112.2 | D302 T303 L304 R310 | D302-L306 WeakPolarHBondContact O-CB 3.34Å; D302-L306 VanDerWaalsContact O-CG 3.31Å; D302-L306 WeakPolarHBondContact O-CG 3.46Å; D302-L306 PolarHBondContact O-N 3.02Å; T303-L306 PolarHBondContact O-N 2.87Å; L304-L306 VanDerWaalsContact C-N 3.31Å; L304-L306 PolarHBondContact O-N 2.9Å; L306-R310 VanDerWaalsContact O-CB 3.32Å; L306-R310 WeakPolarHBondContact O-CB 3.22Å; L306-R310 PolarHBondContact O-N 2.97Å |
| 307 | E | 94.3 | Very high | 94.4 | Very high | 89 Ų | 89 | 102.1 Ų | 102.1 | 42% | 0.416 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.8 | -40 | 175.9 | -167.3 | 171.5 | 176 | 0 | 0 | 111.9 | T303 L304 Q305 R310 K311 | T303-E307 PolarHBondContact O-N 3.2Å; L304-E307 WeakPolarHBondContact O-CB 3.42Å; L304-E307 PolarHBondContact O-N 2.97Å; L304-E307 VanDerWaalsContact O-N 3.11Å; Q305-E307 VanDerWaalsContact C-N 3.3Å; Q305-E307 PolarHBondContact O-N 3.44Å; E307-R310 WeakPolarHBondContact O-CB 3.19Å; E307-R310 PolarHBondContact O-N 3.49Å; E307-K311 WeakPolarHBondContact O-CG 3.42Å; E307-K311 PolarHBondContact O-N 2.86Å |
| 308 | E | 93.9 | Very high | 94.2 | Very high | 125 Ų | 125 | 102.7 Ų | 102.7 | 58% | 0.584 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.4 | -48.3 | 172 | -72 | 179 | 173.3 | 0 | 0 | 111.9 | L304 Q305 R310 K311 T312 | L304-E308 PolarHBondContact O-N 3.18Å; Q305-E308 PolarHBondContact O-N 3.01Å; E308-R310 PolarHBondContact O-N 3.31Å; E308-K311 WeakPolarHBondContact O-CB 3.41Å; E308-K311 PolarHBondContact O-N 3.48Å; E308-K311 VanDerWaalsContact O-N 3.13Å; E308-T312 PolarHBondContact O-N 3.26Å; E308-T312 PolarHBondContact O-OG1 3.2Å |
| 309 | L | 93.6 | Very high | 93.9 | Very high | 111 Ų | 111 | 103.2 Ų | 103.2 | 58% | 0.581 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.6 | -33.8 | 175.5 | -75.6 | 173.9 | 0 | 0 | 0 | 112.3 | Q305 T312 K313 | Q305-L309 WeakPolarHBondContact O-CB 3.38Å; Q305-L309 WeakPolarHBondContact O-CG 3.5Å; Q305-L309 PolarHBondContact O-N 2.97Å; L309-T312 WeakPolarHBondContact CA-OG1 3.39Å; L309-T312 PolarHBondContact O-OG1 3.49Å; L309-K313 WeakPolarHBondContact O-CB 3.29Å; L309-K313 PolarHBondContact O-N 2.91Å |
| 310 | R | 94.6 | Very high | 93.8 | Very high | 171 Ų | 171 | 103.2 Ų | 103.2 | 65% | 0.645 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.1 | -44.2 | 174.4 | -170.8 | -174.3 | -56 | 165.2 | 5.5 | 111.3 | L306 E307 E308 K313 E314 | L306-R310 VanDerWaalsContact O-CB 3.32Å; L306-R310 WeakPolarHBondContact O-CB 3.22Å; L306-R310 PolarHBondContact O-N 2.97Å; E307-R310 WeakPolarHBondContact O-CB 3.19Å; E307-R310 PolarHBondContact O-N 3.49Å; E308-R310 PolarHBondContact O-N 3.31Å; R310-K313 PolarHBondContact O-N 3.37Å; R310-E314 PolarHBondContact O-N 2.89Å |
| 311 | K | 94.8 | Very high | 93.6 | Very high | 119 Ų | 119 | 103.7 Ų | 103.7 | 52% | 0.517 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 176.3 | -71.2 | 172.5 | -176.2 | 169.5 | 0 | 111.7 | E307 E308 K313 E314 V315 | E307-K311 WeakPolarHBondContact O-CG 3.42Å; E307-K311 PolarHBondContact O-N 2.86Å; E308-K311 WeakPolarHBondContact O-CB 3.41Å; E308-K311 PolarHBondContact O-N 3.48Å; E308-K311 VanDerWaalsContact O-N 3.13Å; K311-K313 VanDerWaalsContact C-N 3.34Å; K311-E314 PolarHBondContact O-N 3.47Å; K311-V315 WeakPolarHBondContact O-CG2 3.33Å; K311-V315 PolarHBondContact O-N 3.32Å |
| 312 | T | 92.8 | Very high | 93.4 | Very high | 73 Ų | 73 | 103.7 Ų | 103.7 | 45% | 0.448 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.9 | -37.3 | 177.3 | 56.6 | 0 | 0 | 0 | 0 | 112 | E308 L309 V315 M316 | E308-T312 PolarHBondContact O-N 3.26Å; E308-T312 PolarHBondContact O-OG1 3.2Å; L309-T312 WeakPolarHBondContact CA-OG1 3.39Å; L309-T312 PolarHBondContact O-OG1 3.49Å; T312-V315 PolarHBondContact O-N 3.29Å; T312-M316 WeakPolarHBondContact O-CG 3.42Å; T312-M316 PolarHBondContact O-N 2.91Å |
| 313 | K | 93.9 | Very high | 93.2 | Very high | 114 Ų | 114 | 106.5 Ų | 106.5 | 50% | 0.496 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.7 | -47.3 | 171.4 | -179.1 | -172.5 | 166.7 | -171.2 | 0 | 111.3 | L309 R310 K311 M316 E317 | L309-K313 WeakPolarHBondContact O-CB 3.29Å; L309-K313 PolarHBondContact O-N 2.91Å; R310-K313 PolarHBondContact O-N 3.37Å; K311-K313 VanDerWaalsContact C-N 3.34Å; K313-M316 PolarHBondContact O-N 3.46Å; K313-E317 WeakPolarHBondContact CE-OE1 3.48Å; K313-E317 IonicContact NZ-OE1 2.6Å; K313-E317 PolarHBondContact NZ-OE1 2.92Å; K313-E317 WeakPolarHBondContact O-CG 3.43Å; K313-E317 PolarHBondContact O-N 2.86Å |
| 314 | E | 93.6 | Very high | 93 | Very high | 112 Ų | 112 | 105.7 Ų | 105.7 | 52% | 0.523 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.4 | -47 | 178.1 | -173.4 | 171.5 | -156.5 | 0 | 0 | 111.4 | R310 K311 M316 E317 E318 | R310-E314 PolarHBondContact O-N 2.89Å; K311-E314 PolarHBondContact O-N 3.47Å; E314-M316 PolarHBondContact O-N 3.22Å; E314-E317 PolarHBondContact O-N 2.88Å; E314-E318 WeakPolarHBondContact O-CG 3.27Å; E314-E318 PolarHBondContact O-N 2.94Å |
| 315 | V | 92.7 | Very high | 92.9 | Very high | 72 Ų | 72 | 104.9 Ų | 104.9 | 44% | 0.436 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 174.9 | 172.7 | 0 | 0 | 0 | 0 | 112 | K311 T312 E317 E318 E319 | K311-V315 WeakPolarHBondContact O-CG2 3.33Å; K311-V315 PolarHBondContact O-N 3.32Å; T312-V315 PolarHBondContact O-N 3.29Å; V315-E317 VanDerWaalsContact C-N 3.34Å; V315-E317 PolarHBondContact O-N 3.25Å; V315-E318 PolarHBondContact O-N 3.46Å; V315-E319 HydrophobicContact CG1-CG 4.49Å; V315-E319 WeakPolarHBondContact O-CG 3.47Å; V315-E319 PolarHBondContact O-N 3.44Å |
| 316 | M | 91.4 | Very high | 92.7 | Very high | 117 Ų | 117 | 104 Ų | 104 | 58% | 0.576 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.9 | -36.7 | 176.9 | -75.5 | -169.1 | -59.1 | 0 | 0 | 112.3 | T312 K313 E314 E319 L320 | T312-M316 WeakPolarHBondContact O-CG 3.42Å; T312-M316 PolarHBondContact O-N 2.91Å; K313-M316 PolarHBondContact O-N 3.46Å; E314-M316 PolarHBondContact O-N 3.22Å; M316-E319 PolarHBondContact O-N 3.45Å; M316-L320 WeakPolarHBondContact O-CB 3.44Å; M316-L320 PolarHBondContact O-N 2.99Å |
| 317 | E | 92.4 | Very high | 92.5 | Very high | 105 Ų | 105 | 104.7 Ų | 104.7 | 49% | 0.491 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 174.6 | -76.6 | 178.4 | 166.3 | 0 | 0 | 111.2 | K313 E314 V315 L320 H321 | K313-E317 WeakPolarHBondContact CE-OE1 3.48Å; K313-E317 IonicContact NZ-OE1 2.6Å; K313-E317 PolarHBondContact NZ-OE1 2.92Å; K313-E317 WeakPolarHBondContact O-CG 3.43Å; K313-E317 PolarHBondContact O-N 2.86Å; E314-E317 PolarHBondContact O-N 2.88Å; V315-E317 VanDerWaalsContact C-N 3.34Å; V315-E317 PolarHBondContact O-N 3.25Å; E317-L320 PolarHBondContact O-N 2.89Å; E317-H321 WeakPolarHBondContact O-CB 3.42Å; E317-H321 PolarHBondContact O-N 3.43Å |
| 318 | E | 92.4 | Very high | 92.4 | Very high | 126 Ų | 126 | 106.9 Ų | 106.9 | 59% | 0.589 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.9 | -46.5 | 172.6 | -72.2 | -178.8 | 170.1 | 0 | 0 | 112.2 | E314 V315 H321 A322 | E314-E318 WeakPolarHBondContact O-CG 3.27Å; E314-E318 PolarHBondContact O-N 2.94Å; V315-E318 PolarHBondContact O-N 3.46Å; E318-H321 PolarHBondContact O-N 3.41Å; E318-A322 WeakPolarHBondContact O-CB 3.37Å; E318-A322 PolarHBondContact O-N 3.48Å |
| 319 | E | 89.4 | Confident | 92.2 | Very high | 115 Ų | 115 | 103.8 Ų | 103.8 | 54% | 0.537 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 176.3 | -76.3 | -176.6 | 175.8 | 0 | 0 | 111.8 | V315 M316 H321 A322 Q323 | V315-E319 HydrophobicContact CG1-CG 4.49Å; V315-E319 WeakPolarHBondContact O-CG 3.47Å; V315-E319 PolarHBondContact O-N 3.44Å; M316-E319 PolarHBondContact O-N 3.45Å; E319-H321 VanDerWaalsContact C-N 3.34Å; E319-A322 PolarHBondContact O-N 2.89Å; E319-Q323 WeakPolarHBondContact O-CB 3.4Å; E319-Q323 WeakPolarHBondContact O-CG 3.27Å; E319-Q323 PolarHBondContact O-N 2.97Å |
| 320 | L | 92.3 | Very high | 92 | Very high | 116 Ų | 116 | 103.4 Ų | 103.4 | 61% | 0.607 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.5 | -42.6 | 175.6 | -174.9 | 73.5 | 0 | 0 | 0 | 110.9 | M316 E317 Q323 A324 | M316-L320 WeakPolarHBondContact O-CB 3.44Å; M316-L320 PolarHBondContact O-N 2.99Å; E317-L320 PolarHBondContact O-N 2.89Å; L320-Q323 PolarHBondContact O-N 3.49Å; L320-A324 WeakPolarHBondContact O-CB 3.27Å; L320-A324 PolarHBondContact O-N 2.87Å |
| 321 | H | 92.6 | Very high | 91.9 | Very high | 119 Ų | 119 | 100.7 Ų | 100.7 | 55% | 0.551 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.8 | -43.3 | 175.7 | -174 | 60 | 0 | 0 | 0 | 111.6 | E317 E318 E319 Q323 A324 L325 | E317-H321 WeakPolarHBondContact O-CB 3.42Å; E317-H321 PolarHBondContact O-N 3.43Å; E318-H321 PolarHBondContact O-N 3.41Å; E319-H321 VanDerWaalsContact C-N 3.34Å; H321-Q323 PolarHBondContact O-N 3.38Å; H321-A324 WeakPolarHBondContact O-CB 3.35Å; H321-A324 PolarHBondContact O-N 3.46Å; H321-L325 WeakPolarHBondContact O-CG 3.44Å; H321-L325 PolarHBondContact O-N 2.9Å |
| 322 | A | 90.9 | Very high | 91.6 | Very high | 49 Ų | 49 | 97.8 Ų | 97.8 | 41% | 0.405 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61 | -43.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E318 E319 A324 L325 V326 | E318-A322 WeakPolarHBondContact O-CB 3.37Å; E318-A322 PolarHBondContact O-N 3.48Å; E319-A322 PolarHBondContact O-N 2.89Å; A322-A324 VanDerWaalsContact C-N 3.35Å; A322-A324 PolarHBondContact O-N 2.9Å; A322-L325 PolarHBondContact O-N 3.07Å; A322-V326 WeakPolarHBondContact O-CG2 3.44Å; A322-V326 PolarHBondContact O-N 3.19Å |
| 323 | Q | 91.8 | Very high | 91.5 | Very high | 120 Ų | 120 | 99.2 Ų | 99.2 | 56% | 0.561 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.7 | -39.8 | 174 | -75 | -178.1 | 13 | 0 | 0 | 112.2 | E319 L320 H321 V326 L327 | E319-Q323 WeakPolarHBondContact O-CB 3.4Å; E319-Q323 WeakPolarHBondContact O-CG 3.27Å; E319-Q323 PolarHBondContact O-N 2.97Å; L320-Q323 PolarHBondContact O-N 3.49Å; H321-Q323 PolarHBondContact O-N 3.38Å; Q323-V326 PolarHBondContact O-N 2.9Å; Q323-L327 WeakPolarHBondContact O-CB 3.4Å; Q323-L327 WeakPolarHBondContact O-CG 3.25Å; Q323-L327 PolarHBondContact O-N 3.44Å |
| 324 | A | 90.9 | Very high | 91.3 | Very high | 50 Ų | 50 | 98.3 Ų | 98.3 | 41% | 0.413 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L320 H321 A322 L327 E328 | L320-A324 WeakPolarHBondContact O-CB 3.27Å; L320-A324 PolarHBondContact O-N 2.87Å; H321-A324 WeakPolarHBondContact O-CB 3.35Å; H321-A324 PolarHBondContact O-N 3.46Å; A322-A324 VanDerWaalsContact C-N 3.35Å; A322-A324 PolarHBondContact O-N 2.9Å; A324-L327 PolarHBondContact O-N 3.36Å; A324-E328 WeakPolarHBondContact O-CB 3.05Å; A324-E328 PolarHBondContact O-N 3.49Å |
| 325 | L | 92.9 | Very high | 91.1 | Very high | 90 Ų | 90 | 101 Ų | 101 | 47% | 0.471 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 174.4 | -71.1 | 172.9 | 0 | 0 | 0 | 112.3 | H321 A322 E328 S329 | H321-L325 WeakPolarHBondContact O-CG 3.44Å; H321-L325 PolarHBondContact O-N 2.9Å; A322-L325 PolarHBondContact O-N 3.07Å; L325-E328 PolarHBondContact O-N 2.94Å; L325-S329 WeakPolarHBondContact O-CB 3.28Å; L325-S329 PolarHBondContact O-N 3.08Å |
| 326 | V | 91.2 | Very high | 90.9 | Very high | 84 Ų | 84 | 104.2 Ų | 104.2 | 51% | 0.509 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.4 | -48.2 | 174.9 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | A322 Q323 E328 S329 L330 | A322-V326 WeakPolarHBondContact O-CG2 3.44Å; A322-V326 PolarHBondContact O-N 3.19Å; Q323-V326 PolarHBondContact O-N 2.9Å; V326-E328 VanDerWaalsContact C-N 3.33Å; V326-E328 PolarHBondContact O-N 3.48Å; V326-S329 PolarHBondContact O-N 3.35Å; V326-S329 PolarHBondContact O-OG 3.31Å; V326-L330 HydrophobicContact CG1-CD1 4.37Å; V326-L330 WeakPolarHBondContact O-CB 3.31Å; V326-L330 PolarHBondContact O-N 3.34Å |
| 327 | L | 90.9 | Very high | 90.6 | Very high | 121 Ų | 121 | 102.3 Ų | 102.3 | 63% | 0.634 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -58.1 | -44.8 | 176.6 | -82.8 | 168.8 | 0 | 0 | 0 | 111.7 | Q323 A324 S329 L330 N331 | Q323-L327 WeakPolarHBondContact O-CB 3.4Å; Q323-L327 WeakPolarHBondContact O-CG 3.25Å; Q323-L327 PolarHBondContact O-N 3.44Å; A324-L327 PolarHBondContact O-N 3.36Å; L327-S329 VanDerWaalsContact C-N 3.35Å; L327-S329 PolarHBondContact O-N 3.43Å; L327-L330 PolarHBondContact O-N 2.91Å; L327-N331 WeakPolarHBondContact O-CB 3.48Å; L327-N331 PolarHBondContact O-N 2.94Å |
| 328 | E | 90.6 | Very high | 90.5 | Very high | 136 Ų | 136 | 102.6 Ų | 102.6 | 64% | 0.636 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.6 | -43.7 | 176.7 | -169.5 | 170.1 | -161.1 | 0 | 0 | 111.4 | A324 L325 V326 L330 N331 A332 | A324-E328 WeakPolarHBondContact O-CB 3.05Å; A324-E328 PolarHBondContact O-N 3.49Å; L325-E328 PolarHBondContact O-N 2.94Å; V326-E328 VanDerWaalsContact C-N 3.33Å; V326-E328 PolarHBondContact O-N 3.48Å; E328-L330 PolarHBondContact O-N 2.86Å; E328-N331 PolarHBondContact O-N 3.4Å; E328-A332 WeakPolarHBondContact O-CB 3.28Å; E328-A332 PolarHBondContact O-N 3.42Å |
| 329 | S | 90.8 | Very high | 90.3 | Very high | 60 Ų | 60 | 100.3 Ų | 100.3 | 42% | 0.42 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.7 | -40 | 175.6 | 79.4 | 0 | 0 | 0 | 0 | 113.1 | L325 V326 L327 A332 N333 | L325-S329 WeakPolarHBondContact O-CB 3.28Å; L325-S329 PolarHBondContact O-N 3.08Å; V326-S329 PolarHBondContact O-N 3.35Å; V326-S329 PolarHBondContact O-OG 3.31Å; L327-S329 VanDerWaalsContact C-N 3.35Å; L327-S329 PolarHBondContact O-N 3.43Å; S329-A332 PolarHBondContact O-N 3.1Å; S329-N333 WeakPolarHBondContact O-CB 3.44Å; S329-N333 PolarHBondContact O-N 2.88Å; S329-N333 PolarHBondContact O-ND2 2.94Å |
| 330 | L | 89.8 | Confident | 90.1 | Very high | 102 Ų | 102 | 99.1 Ų | 99.1 | 53% | 0.534 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 178.1 | -123.5 | 149.6 | 0 | 0 | 0 | 110.7 | V326 L327 E328 N333 L334 | V326-L330 HydrophobicContact CG1-CD1 4.37Å; V326-L330 WeakPolarHBondContact O-CB 3.31Å; V326-L330 PolarHBondContact O-N 3.34Å; L327-L330 PolarHBondContact O-N 2.91Å; E328-L330 PolarHBondContact O-N 2.86Å; L330-N333 PolarHBondContact O-N 2.88Å; L330-L334 WeakPolarHBondContact O-CB 3.42Å; L330-L334 PolarHBondContact O-N 3.45Å |
| 331 | N | 91.1 | Very high | 89.8 | Confident | 115 Ų | 115 | 99.3 Ų | 99.3 | 62% | 0.615 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.7 | -39.7 | 177 | -145.9 | 23.5 | 0 | 0 | 0 | 111.2 | L327 E328 L334 Y335 | L327-N331 WeakPolarHBondContact O-CB 3.48Å; L327-N331 PolarHBondContact O-N 2.94Å; E328-N331 PolarHBondContact O-N 3.4Å; N331-L334 PolarHBondContact O-N 2.92Å; N331-Y335 WeakPolarHBondContact O-CB 3.41Å; N331-Y335 PolarHBondContact O-N 2.91Å |
| 332 | A | 89.6 | Confident | 89.5 | Confident | 58 Ų | 58 | 99 Ų | 99 | 48% | 0.479 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E328 S329 Y335 Y336 | E328-A332 WeakPolarHBondContact O-CB 3.28Å; E328-A332 PolarHBondContact O-N 3.42Å; S329-A332 PolarHBondContact O-N 3.1Å; A332-Y335 PolarHBondContact O-N 3.31Å; A332-Y336 WeakPolarHBondContact O-CB 3.25Å; A332-Y336 PolarHBondContact O-N 2.9Å |
| 333 | N | 89.3 | Confident | 89.4 | Confident | 102 Ų | 102 | 103.3 Ų | 103.3 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 175.3 | -76.2 | -23.4 | 0 | 0 | 0 | 112.4 | S329 L330 Y336 T337 | S329-N333 WeakPolarHBondContact O-CB 3.44Å; S329-N333 PolarHBondContact O-N 2.88Å; S329-N333 PolarHBondContact O-ND2 2.94Å; L330-N333 PolarHBondContact O-N 2.88Å; N333-Y336 PolarHBondContact O-N 3.08Å; N333-T337 WeakPolarHBondContact O-CB 3.5Å; N333-T337 WeakPolarHBondContact O-CG2 3.46Å; N333-T337 PolarHBondContact O-N 3.43Å; N333-T337 PolarHBondContact O-OG1 2.86Å |
| 334 | L | 90.7 | Very high | 88.9 | Confident | 96 Ų | 96 | 102.6 Ų | 102.6 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 175.6 | -174.6 | 128.4 | 0 | 0 | 0 | 111 | L330 N331 T337 Q338 | L330-L334 WeakPolarHBondContact O-CB 3.42Å; L330-L334 PolarHBondContact O-N 3.45Å; N331-L334 PolarHBondContact O-N 2.92Å; L334-T337 WeakPolarHBondContact CA-OG1 3.43Å; L334-T337 PolarHBondContact O-N 2.87Å; L334-T337 PolarHBondContact O-OG1 3.37Å; L334-Q338 VanDerWaalsContact O-CB 3.25Å; L334-Q338 WeakPolarHBondContact O-CB 3.33Å; L334-Q338 PolarHBondContact O-N 3.5Å |
| 335 | Y | 90.1 | Very high | 88.8 | Confident | 167 Ų | 167 | 107.1 Ų | 107.1 | 66% | 0.655 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.1 | -46.2 | 173.7 | -174 | -97.4 | 0 | 0 | 0 | 111.9 | N331 A332 Q338 V339 | N331-Y335 WeakPolarHBondContact O-CB 3.41Å; N331-Y335 PolarHBondContact O-N 2.91Å; A332-Y335 PolarHBondContact O-N 3.31Å; Y335-Q338 PolarHBondContact O-N 3.12Å; Y335-V339 HydrophobicContact CD1-CG2 4.32Å; Y335-V339 HydrophobicContact CE1-CG2 3.98Å; Y335-V339 WeakPolarHBondContact O-CG2 3.43Å; Y335-V339 PolarHBondContact O-N 3.39Å |
| 336 | Y | 88.1 | Confident | 88.3 | Confident | 140 Ų | 140 | 105.4 Ų | 105.4 | 55% | 0.549 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.2 | -50.3 | 177.2 | -179.9 | -90.6 | 0 | 0 | 0 | 112.1 | A332 N333 Q338 V339 E340 | A332-Y336 WeakPolarHBondContact O-CB 3.25Å; A332-Y336 PolarHBondContact O-N 2.9Å; N333-Y336 PolarHBondContact O-N 3.08Å; Y336-Q338 VanDerWaalsContact C-N 3.32Å; Y336-Q338 PolarHBondContact O-N 3.23Å; Y336-V339 PolarHBondContact O-N 2.97Å; Y336-E340 VanDerWaalsContact CE1-CD 3.41Å; Y336-E340 HydrophobicContact CE1-CG 4.28Å; Y336-E340 VanDerWaalsContact CE1-OE1 3.31Å; Y336-E340 WeakPolarHBondContact CE1-OE1 3.38Å; Y336-E340 WeakPolarHBondContact CE1-OE2 3.29Å; Y336-E340 PolarHBondContact O-N 3.02Å; Y336-E340 PolarHBondContact OH-OE1 3.41Å |
| 337 | T | 84.9 | Confident | 88.2 | Confident | 78 Ų | 78 | 104.7 Ų | 104.7 | 48% | 0.479 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.4 | -36.2 | 178 | 48.1 | 0 | 0 | 0 | 0 | 112.4 | N333 L334 E340 L341 | N333-T337 WeakPolarHBondContact O-CB 3.5Å; N333-T337 WeakPolarHBondContact O-CG2 3.46Å; N333-T337 PolarHBondContact O-N 3.43Å; N333-T337 PolarHBondContact O-OG1 2.86Å; L334-T337 WeakPolarHBondContact CA-OG1 3.43Å; L334-T337 PolarHBondContact O-N 2.87Å; L334-T337 PolarHBondContact O-OG1 3.37Å; T337-E340 PolarHBondContact O-N 3.38Å; T337-L341 WeakPolarHBondContact O-CB 3.47Å; T337-L341 PolarHBondContact O-N 3.44Å |
| 338 | Q | 89.3 | Confident | 87.8 | Confident | 111 Ų | 111 | 102.9 Ų | 102.9 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.9 | -37.9 | 175 | -173.4 | 154.8 | -9.5 | 0 | 0 | 112.2 | L334 Y335 Y336 Q342 | L334-Q338 VanDerWaalsContact O-CB 3.25Å; L334-Q338 WeakPolarHBondContact O-CB 3.33Å; L334-Q338 PolarHBondContact O-N 3.5Å; Y335-Q338 PolarHBondContact O-N 3.12Å; Y336-Q338 VanDerWaalsContact C-N 3.32Å; Y336-Q338 PolarHBondContact O-N 3.23Å; Q338-Q342 VanDerWaalsContact O-CG 3.29Å; Q338-Q342 WeakPolarHBondContact O-CG 3.41Å; Q338-Q342 PolarHBondContact O-N 2.9Å |
| 339 | V | 89.2 | Confident | 87.4 | Confident | 78 Ų | 78 | 97.6 Ų | 97.6 | 47% | 0.473 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.4 | -43.8 | 173.4 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | Y335 Y336 L341 Q342 K343 | Y335-V339 HydrophobicContact CD1-CG2 4.32Å; Y335-V339 HydrophobicContact CE1-CG2 3.98Å; Y335-V339 WeakPolarHBondContact O-CG2 3.43Å; Y335-V339 PolarHBondContact O-N 3.39Å; Y336-V339 PolarHBondContact O-N 2.97Å; V339-L341 PolarHBondContact O-N 3.47Å; V339-Q342 PolarHBondContact O-N 2.93Å; V339-K343 PolarHBondContact O-N 3.37Å |
| 340 | E | 84.8 | Confident | 87.1 | Confident | 89 Ų | 89 | 99.7 Ų | 99.7 | 42% | 0.416 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 175.3 | -113.4 | 175.4 | -169.4 | 0 | 0 | 112 | Y336 T337 Q342 K343 E344 | Y336-E340 VanDerWaalsContact CE1-CD 3.41Å; Y336-E340 HydrophobicContact CE1-CG 4.28Å; Y336-E340 VanDerWaalsContact CE1-OE1 3.31Å; Y336-E340 WeakPolarHBondContact CE1-OE1 3.38Å; Y336-E340 WeakPolarHBondContact CE1-OE2 3.29Å; Y336-E340 PolarHBondContact O-N 3.02Å; Y336-E340 PolarHBondContact OH-OE1 3.41Å; T337-E340 PolarHBondContact O-N 3.38Å; E340-Q342 VanDerWaalsContact C-N 3.35Å; E340-Q342 PolarHBondContact O-N 3.33Å; E340-K343 WeakPolarHBondContact O-CB 3.37Å; E340-K343 PolarHBondContact O-N 3.36Å; E340-K343 VanDerWaalsContact O-N 3.14Å; E340-E344 PolarHBondContact O-N 2.96Å |
| 341 | L | 86.8 | Confident | 86.8 | Confident | 120 Ų | 120 | 99.2 Ų | 99.2 | 63% | 0.628 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.9 | -41.1 | 176.2 | -176.3 | 67.6 | 0 | 0 | 0 | 112 | T337 V339 K343 E344 K345 | T337-L341 WeakPolarHBondContact O-CB 3.47Å; T337-L341 PolarHBondContact O-N 3.44Å; V339-L341 PolarHBondContact O-N 3.47Å; L341-K343 VanDerWaalsContact C-N 3.29Å; L341-K343 PolarHBondContact O-N 3.29Å; L341-E344 PolarHBondContact O-N 2.91Å; L341-K345 VanDerWaalsContact O-CB 3.23Å; L341-K345 WeakPolarHBondContact O-CB 3.31Å; L341-K345 PolarHBondContact O-N 2.98Å |
| 342 | Q | 86.5 | Confident | 86.2 | Confident | 113 Ų | 113 | 99.9 Ų | 99.9 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 174.7 | -73.4 | -70 | -21.3 | 0 | 0 | 111.8 | Q338 V339 E340 K345 A346 | Q338-Q342 VanDerWaalsContact O-CG 3.29Å; Q338-Q342 WeakPolarHBondContact O-CG 3.41Å; Q338-Q342 PolarHBondContact O-N 2.9Å; V339-Q342 PolarHBondContact O-N 2.93Å; E340-Q342 VanDerWaalsContact C-N 3.35Å; E340-Q342 PolarHBondContact O-N 3.33Å; Q342-K345 PolarHBondContact O-N 3.07Å; Q342-A346 WeakPolarHBondContact O-CB 3.31Å; Q342-A346 PolarHBondContact O-N 3.4Å |
| 343 | K | 87.3 | Confident | 85.9 | Confident | 139 Ų | 139 | 103.7 Ų | 103.7 | 60% | 0.604 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.2 | -48.5 | 175.9 | -173.5 | -174.8 | 175.6 | -170.5 | 0 | 111.7 | V339 E340 L341 K345 A346 I347 | V339-K343 PolarHBondContact O-N 3.37Å; E340-K343 WeakPolarHBondContact O-CB 3.37Å; E340-K343 PolarHBondContact O-N 3.36Å; E340-K343 VanDerWaalsContact O-N 3.14Å; L341-K343 VanDerWaalsContact C-N 3.29Å; L341-K343 PolarHBondContact O-N 3.29Å; K343-K345 VanDerWaalsContact C-N 3.35Å; K343-K345 PolarHBondContact O-N 3.5Å; K343-A346 WeakPolarHBondContact O-CB 3.28Å; K343-A346 PolarHBondContact O-N 2.92Å; K343-I347 HydrophobicContact CG-CD1 4.38Å; K343-I347 WeakPolarHBondContact O-CG1 3.28Å; K343-I347 PolarHBondContact O-N 3.17Å |
| 344 | E | 82.5 | Confident | 85.6 | Confident | 106 Ų | 106 | 104.3 Ų | 104.3 | 50% | 0.495 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 175.3 | -76.5 | -58.8 | 149.5 | 0 | 0 | 111.8 | E340 L341 A346 I347 V348 | E340-E344 PolarHBondContact O-N 2.96Å; L341-E344 PolarHBondContact O-N 2.91Å; E344-A346 VanDerWaalsContact C-N 3.28Å; E344-A346 PolarHBondContact O-N 3.31Å; E344-I347 WeakPolarHBondContact O-CB 3.46Å; E344-I347 PolarHBondContact O-N 3.47Å; E344-I347 VanDerWaalsContact O-N 3.07Å; E344-V348 WeakPolarHBondContact O-CG2 3.26Å; E344-V348 PolarHBondContact O-N 3.24Å |
| 345 | K | 87.6 | Confident | 85.2 | Confident | 144 Ų | 144 | 105.3 Ų | 105.3 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.1 | -38.8 | 174.4 | -169.2 | 176.5 | -176.1 | 177.5 | 0 | 112.1 | L341 Q342 K343 G349 | L341-K345 VanDerWaalsContact O-CB 3.23Å; L341-K345 WeakPolarHBondContact O-CB 3.31Å; L341-K345 PolarHBondContact O-N 2.98Å; Q342-K345 PolarHBondContact O-N 3.07Å; K343-K345 VanDerWaalsContact C-N 3.35Å; K343-K345 PolarHBondContact O-N 3.5Å; K345-G349 PolarHBondContact O-N 2.88Å |
| 346 | A | 84.4 | Confident | 84.9 | Confident | 54 Ų | 54 | 103.8 Ų | 103.8 | 45% | 0.446 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.7 | -38.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q342 K343 E344 N350 | Q342-A346 WeakPolarHBondContact O-CB 3.31Å; Q342-A346 PolarHBondContact O-N 3.4Å; K343-A346 WeakPolarHBondContact O-CB 3.28Å; K343-A346 PolarHBondContact O-N 2.92Å; E344-A346 VanDerWaalsContact C-N 3.28Å; E344-A346 PolarHBondContact O-N 3.31Å; A346-N350 WeakPolarHBondContact O-CB 3.29Å; A346-N350 PolarHBondContact O-N 3.42Å; A346-N350 PolarHBondContact O-ND2 3Å |
| 347 | I | 87.1 | Confident | 84.6 | Confident | 70 Ų | 70 | 101.3 Ų | 101.3 | 36% | 0.359 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.3 | -49.7 | 175.7 | -67 | 165.5 | 0 | 0 | 0 | 110.6 | K343 E344 G349 N350 L351 | K343-I347 HydrophobicContact CG-CD1 4.38Å; K343-I347 WeakPolarHBondContact O-CG1 3.28Å; K343-I347 PolarHBondContact O-N 3.17Å; E344-I347 WeakPolarHBondContact O-CB 3.46Å; E344-I347 PolarHBondContact O-N 3.47Å; E344-I347 VanDerWaalsContact O-N 3.07Å; I347-G349 PolarHBondContact O-N 2.93Å; I347-N350 WeakPolarHBondContact O-CB 3.49Å; I347-N350 PolarHBondContact O-N 3.21Å; I347-L351 HydrophobicContact CG2-CD1 4.23Å; I347-L351 PolarHBondContact O-N 2.96Å |
| 348 | V | 83.4 | Confident | 84.4 | Confident | 83 Ų | 83 | 103.3 Ų | 103.3 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 176.9 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | E344 N350 L351 E352 | E344-V348 WeakPolarHBondContact O-CG2 3.26Å; E344-V348 PolarHBondContact O-N 3.24Å; V348-N350 VanDerWaalsContact C-N 3.25Å; V348-N350 PolarHBondContact O-N 2.95Å; V348-L351 WeakPolarHBondContact O-CB 3.23Å; V348-L351 PolarHBondContact O-N 2.87Å; V348-L351 VanDerWaalsContact O-N 3.11Å; V348-E352 WeakPolarHBondContact O-CB 3.45Å; V348-E352 PolarHBondContact O-N 2.89Å |
| 349 | G | 83.3 | Confident | 84 | Confident | 25 Ų | 25 | 101.2 Ų | 101.2 | 26% | 0.258 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61 | -32.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K345 I347 K353 | K345-G349 PolarHBondContact O-N 2.88Å; I347-G349 PolarHBondContact O-N 2.93Å; G349-K353 WeakPolarHBondContact O-CG 3.41Å; G349-K353 PolarHBondContact O-N 2.88Å; G349-K353 VanDerWaalsContact O-N 3.16Å |
| 350 | N | 83 | Confident | 83.6 | Confident | 104 Ų | 104 | 100 Ų | 100 | 56% | 0.556 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -72 | -40.2 | 173.5 | -73.4 | -24.1 | 0 | 0 | 0 | 112.3 | A346 I347 V348 M354 | A346-N350 WeakPolarHBondContact O-CB 3.29Å; A346-N350 PolarHBondContact O-N 3.42Å; A346-N350 PolarHBondContact O-ND2 3Å; I347-N350 WeakPolarHBondContact O-CB 3.49Å; I347-N350 PolarHBondContact O-N 3.21Å; V348-N350 VanDerWaalsContact C-N 3.25Å; V348-N350 PolarHBondContact O-N 2.95Å; N350-M354 WeakPolarHBondContact O-CB 3.23Å; N350-M354 PolarHBondContact O-N 3.47Å |
| 351 | L | 83.3 | Confident | 83.3 | Confident | 92 Ų | 92 | 100.2 Ų | 100.2 | 48% | 0.482 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 174.3 | -74.1 | 169.3 | 0 | 0 | 0 | 111.6 | I347 V348 M354 L355 | I347-L351 HydrophobicContact CG2-CD1 4.23Å; I347-L351 PolarHBondContact O-N 2.96Å; V348-L351 WeakPolarHBondContact O-CB 3.23Å; V348-L351 PolarHBondContact O-N 2.87Å; V348-L351 VanDerWaalsContact O-N 3.11Å; L351-M354 HydrophobicContact CD2-CE 3.87Å; L351-M354 WeakPolarHBondContact O-CB 3.48Å; L351-M354 PolarHBondContact O-N 2.84Å; L351-L355 PolarHBondContact O-N 3.47Å |
| 352 | E | 79.8 | Confident | 82.9 | Confident | 129 Ų | 129 | 97.6 Ų | 97.6 | 60% | 0.603 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.6 | -47.1 | 177.8 | -166 | 174.4 | -164 | 0 | 0 | 111.2 | V348 M354 L355 Q356 | V348-E352 WeakPolarHBondContact O-CB 3.45Å; V348-E352 PolarHBondContact O-N 2.89Å; E352-M354 VanDerWaalsContact C-N 3.32Å; E352-M354 PolarHBondContact O-N 3.49Å; E352-L355 WeakPolarHBondContact O-CB 3.4Å; E352-L355 PolarHBondContact O-N 2.84Å; E352-Q356 WeakPolarHBondContact O-CB 3.29Å; E352-Q356 PolarHBondContact O-N 3.48Å |
| 353 | K | 82.7 | Confident | 82.5 | Confident | 138 Ų | 138 | 98.3 Ų | 98.3 | 60% | 0.6 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.7 | -40.7 | 173.5 | -78.8 | 179.8 | -179.8 | 177.1 | 0 | 113 | G349 Q356 T357 | G349-K353 WeakPolarHBondContact O-CG 3.41Å; G349-K353 PolarHBondContact O-N 2.88Å; G349-K353 VanDerWaalsContact O-N 3.16Å; K353-Q356 PolarHBondContact O-N 3.34Å; K353-T357 WeakPolarHBondContact O-CB 3.47Å; K353-T357 PolarHBondContact O-N 2.9Å; K353-T357 PolarHBondContact O-OG1 2.98Å |
| 354 | M | 83.7 | Confident | 82.2 | Confident | 114 Ų | 114 | 97.2 Ų | 97.2 | 56% | 0.562 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.3 | -44.6 | 177.7 | -171.8 | -161.7 | -44.5 | 0 | 0 | 111.3 | N350 L351 E352 T357 K358 | N350-M354 WeakPolarHBondContact O-CB 3.23Å; N350-M354 PolarHBondContact O-N 3.47Å; L351-M354 HydrophobicContact CD2-CE 3.87Å; L351-M354 WeakPolarHBondContact O-CB 3.48Å; L351-M354 PolarHBondContact O-N 2.84Å; E352-M354 VanDerWaalsContact C-N 3.32Å; E352-M354 PolarHBondContact O-N 3.49Å; M354-T357 PolarHBondContact O-N 2.84Å; M354-K358 PolarHBondContact O-N 3.39Å |
| 355 | L | 82.3 | Confident | 82.2 | Confident | 117 Ų | 117 | 99.1 Ų | 99.1 | 61% | 0.613 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61 | -47.3 | 176.2 | -114.2 | 154.7 | 0 | 0 | 0 | 111.4 | L351 E352 T357 K358 C359 | L351-L355 PolarHBondContact O-N 3.47Å; E352-L355 WeakPolarHBondContact O-CB 3.4Å; E352-L355 PolarHBondContact O-N 2.84Å; L355-T357 VanDerWaalsContact C-N 3.31Å; L355-T357 PolarHBondContact O-N 3.37Å; L355-K358 WeakPolarHBondContact O-CB 3.44Å; L355-K358 PolarHBondContact O-N 2.91Å; L355-K358 VanDerWaalsContact O-N 3.15Å; L355-C359 PolarHBondContact O-N 2.85Å |
| 356 | Q | 83 | Confident | 81.9 | Confident | 136 Ų | 136 | 100 Ų | 100 | 64% | 0.636 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.4 | -40.7 | 178.7 | -138.5 | 165.7 | 14.7 | 0 | 0 | 111.8 | E352 K353 C359 A360 | E352-Q356 WeakPolarHBondContact O-CB 3.29Å; E352-Q356 PolarHBondContact O-N 3.48Å; K353-Q356 PolarHBondContact O-N 3.34Å; Q356-C359 PolarHBondContact O-N 3.49Å; Q356-A360 PolarHBondContact O-N 3.37Å |
| 357 | T | 81.2 | Confident | 81.7 | Confident | 87 Ų | 87 | 103.7 Ų | 103.7 | 53% | 0.534 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 174.9 | -51.6 | 0 | 0 | 0 | 0 | 111.4 | K353 M354 L355 A360 E361 | K353-T357 WeakPolarHBondContact O-CB 3.47Å; K353-T357 PolarHBondContact O-N 2.9Å; K353-T357 PolarHBondContact O-OG1 2.98Å; M354-T357 PolarHBondContact O-N 2.84Å; L355-T357 VanDerWaalsContact C-N 3.31Å; L355-T357 PolarHBondContact O-N 3.37Å; T357-A360 PolarHBondContact O-N 3.35Å; T357-E361 PolarHBondContact O-N 2.96Å |
| 358 | K | 82 | Confident | 81.3 | Confident | 121 Ų | 121 | 107.8 Ų | 107.8 | 53% | 0.526 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 176.5 | -94.4 | -74.4 | 169.4 | -142.4 | 0 | 112.7 | M354 L355 E361 T362 | M354-K358 PolarHBondContact O-N 3.39Å; L355-K358 WeakPolarHBondContact O-CB 3.44Å; L355-K358 PolarHBondContact O-N 2.91Å; L355-K358 VanDerWaalsContact O-N 3.15Å; K358-E361 IonicContact NZ-OE2 2.66Å; K358-E361 PolarHBondContact NZ-OE2 2.87Å; K358-E361 PolarHBondContact O-N 3.31Å; K358-T362 WeakPolarHBondContact O-CG2 3.23Å; K358-T362 PolarHBondContact O-N 2.8Å; K358-T362 VanDerWaalsContact O-N 3.1Å; K358-T362 PolarHBondContact O-OG1 3.38Å |
| 359 | C | 80.9 | Confident | 81.1 | Confident | 66 Ų | 66 | 107.3 Ų | 107.3 | 45% | 0.446 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.1 | -46.8 | 174.5 | -76.4 | 0 | 0 | 0 | 0 | 111.4 | L355 Q356 E361 T362 E363 | L355-C359 PolarHBondContact O-N 2.85Å; Q356-C359 PolarHBondContact O-N 3.49Å; C359-E361 PolarHBondContact O-N 3.37Å; C359-T362 WeakPolarHBondContact CA-OG1 3.48Å; C359-T362 PolarHBondContact O-N 2.92Å; C359-T362 VanDerWaalsContact O-N 3.11Å; C359-T362 PolarHBondContact O-OG1 3.36Å; C359-E363 PolarHBondContact O-N 2.86Å |
| 360 | A | 79.2 | Confident | 80.9 | Confident | 52 Ų | 52 | 111.3 Ų | 111.3 | 43% | 0.43 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q356 T357 T362 E363 E364 | Q356-A360 PolarHBondContact O-N 3.37Å; T357-A360 PolarHBondContact O-N 3.35Å; A360-T362 VanDerWaalsContact C-N 3.3Å; A360-T362 PolarHBondContact O-N 3.16Å; A360-E363 PolarHBondContact O-N 2.9Å; A360-E364 PolarHBondContact O-N 3.25Å |
| 361 | E | 80.1 | Confident | 80.6 | Confident | 95 Ų | 95 | 111.2 Ų | 111.2 | 44% | 0.444 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59 | -40.1 | 173.4 | -80.8 | -174.5 | 160.7 | 0 | 0 | 112.5 | T357 K358 C359 K365 | T357-E361 PolarHBondContact O-N 2.96Å; K358-E361 IonicContact NZ-OE2 2.66Å; K358-E361 PolarHBondContact NZ-OE2 2.87Å; K358-E361 PolarHBondContact O-N 3.31Å; C359-E361 PolarHBondContact O-N 3.37Å; E361-K365 WeakPolarHBondContact O-CG 3.45Å; E361-K365 PolarHBondContact O-N 2.76Å |
| 362 | T | 78.7 | Confident | 80.4 | Confident | 64 Ų | 64 | 110 Ų | 110 | 39% | 0.393 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -73.4 | -40.4 | 179.2 | 51.7 | 0 | 0 | 0 | 0 | 112.5 | K358 C359 A360 E364 K365 Y366 | K358-T362 WeakPolarHBondContact O-CG2 3.23Å; K358-T362 PolarHBondContact O-N 2.8Å; K358-T362 VanDerWaalsContact O-N 3.1Å; K358-T362 PolarHBondContact O-OG1 3.38Å; C359-T362 WeakPolarHBondContact CA-OG1 3.48Å; C359-T362 PolarHBondContact O-N 2.92Å; C359-T362 VanDerWaalsContact O-N 3.11Å; C359-T362 PolarHBondContact O-OG1 3.36Å; A360-T362 VanDerWaalsContact C-N 3.3Å; A360-T362 PolarHBondContact O-N 3.16Å; T362-E364 VanDerWaalsContact C-N 3.31Å; T362-E364 PolarHBondContact O-N 3.44Å; T362-K365 PolarHBondContact O-N 2.66Å; T362-Y366 WeakPolarHBondContact O-CD2 3.4Å; T362-Y366 PolarHBondContact O-N 2.89Å |
| 363 | E | 78 | Confident | 80.2 | Confident | 129 Ų | 129 | 108.7 Ų | 108.7 | 60% | 0.603 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59 | -43.8 | 174.4 | -84.7 | -173.7 | 148.5 | 0 | 0 | 111.4 | C359 A360 K365 Y366 K367 | C359-E363 PolarHBondContact O-N 2.86Å; A360-E363 PolarHBondContact O-N 2.9Å; E363-K365 PolarHBondContact O-N 3.48Å; E363-Y366 PolarHBondContact O-N 3.38Å; E363-K367 PolarHBondContact O-N 2.89Å |
| 364 | E | 81 | Confident | 79.9 | Confident | 115 Ų | 115 | 107.3 Ų | 107.3 | 54% | 0.537 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.3 | -34.2 | -178.1 | -151.2 | 63.3 | -178.3 | 0 | 0 | 112.3 | A360 T362 K367 Y368 | A360-E364 PolarHBondContact O-N 3.25Å; T362-E364 VanDerWaalsContact C-N 3.31Å; T362-E364 PolarHBondContact O-N 3.44Å; E364-K367 PolarHBondContact O-N 3.23Å; E364-K367 WeakPolarHBondContact OE2-CD 3.4Å; E364-K367 IonicContact OE2-NZ 3.73Å; E364-Y368 WeakPolarHBondContact O-CB 3.44Å; E364-Y368 PolarHBondContact O-N 3.4Å |
| 365 | K | 81.4 | Confident | 79.6 | Confident | 146 Ų | 146 | 107.3 Ų | 107.3 | 64% | 0.635 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.4 | -42.8 | 169.1 | -79.7 | -179.9 | 178.4 | -179 | 0 | 112.3 | E361 T362 E363 T369 | E361-K365 WeakPolarHBondContact O-CG 3.45Å; E361-K365 PolarHBondContact O-N 2.76Å; T362-K365 PolarHBondContact O-N 2.66Å; E363-K365 PolarHBondContact O-N 3.48Å; K365-T369 PolarHBondContact O-N 2.87Å; K365-T369 VanDerWaalsContact O-N 3.09Å; K365-T369 PolarHBondContact O-OG1 2.98Å |
| 366 | Y | 81.8 | Confident | 79.3 | Confident | 163 Ų | 163 | 107 Ų | 107 | 64% | 0.639 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.4 | -42.6 | 177.6 | -73.8 | -56.6 | 0 | 0 | 0 | 111.7 | T362 E363 Y368 T369 I370 | T362-Y366 WeakPolarHBondContact O-CD2 3.4Å; T362-Y366 PolarHBondContact O-N 2.89Å; E363-Y366 PolarHBondContact O-N 3.38Å; Y366-Y368 PolarHBondContact O-N 3.04Å; Y366-T369 PolarHBondContact O-N 3.16Å; Y366-I370 VanDerWaalsContact O-CG1 3.27Å; Y366-I370 WeakPolarHBondContact O-CG1 3.34Å; Y366-I370 PolarHBondContact O-N 2.98Å |
| 367 | K | 79.8 | Confident | 79 | Confident | 131 Ų | 131 | 104.4 Ų | 104.4 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -56.8 | -49 | 173.3 | -91.2 | 178 | 177.2 | 171.3 | 0 | 112.7 | E363 E364 T369 I370 Q371 | E363-K367 PolarHBondContact O-N 2.89Å; E364-K367 PolarHBondContact O-N 3.23Å; E364-K367 WeakPolarHBondContact OE2-CD 3.4Å; E364-K367 IonicContact OE2-NZ 3.73Å; K367-T369 VanDerWaalsContact C-N 3.29Å; K367-T369 PolarHBondContact O-N 2.86Å; K367-I370 PolarHBondContact O-N 2.93Å; K367-Q371 PolarHBondContact O-N 2.97Å |
| 368 | Y | 78.8 | Confident | 78.9 | Confident | 156 Ų | 156 | 104.4 Ų | 104.4 | 61% | 0.612 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60 | -40.6 | 178.8 | -175 | -102.6 | 0 | 0 | 0 | 112 | E364 Y366 Q371 I372 | E364-Y368 WeakPolarHBondContact O-CB 3.44Å; E364-Y368 PolarHBondContact O-N 3.4Å; Y366-Y368 PolarHBondContact O-N 3.04Å; Y368-Q371 PolarHBondContact O-N 3.42Å; Y368-I372 HydrophobicContact CD1-CD1 3.81Å; Y368-I372 HydrophobicContact CE1-CD1 3.37Å; Y368-I372 HydrophobicContact CE1-CG1 4.42Å; Y368-I372 WeakPolarHBondContact O-CG1 3.42Å; Y368-I372 PolarHBondContact O-N 3.06Å |
| 369 | T | 78.9 | Confident | 78.7 | Confident | 73 Ų | 73 | 104.8 Ų | 104.8 | 45% | 0.448 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 177.4 | -52.1 | 0 | 0 | 0 | 0 | 112 | K365 Y366 K367 Q371 I372 L373 | K365-T369 PolarHBondContact O-N 2.87Å; K365-T369 VanDerWaalsContact O-N 3.09Å; K365-T369 PolarHBondContact O-OG1 2.98Å; Y366-T369 PolarHBondContact O-N 3.16Å; K367-T369 VanDerWaalsContact C-N 3.29Å; K367-T369 PolarHBondContact O-N 2.86Å; T369-Q371 VanDerWaalsContact C-N 3.31Å; T369-Q371 PolarHBondContact O-N 2.84Å; T369-I372 PolarHBondContact O-N 3.3Å; T369-L373 HydrophobicContact CG2-CD1 4.36Å; T369-L373 WeakPolarHBondContact O-CG 3.16Å; T369-L373 PolarHBondContact O-N 3.33Å |
| 370 | I | 79.6 | Confident | 78.5 | Confident | 109 Ų | 109 | 107.1 Ų | 107.1 | 56% | 0.559 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.6 | -41.9 | 176.4 | -70 | 165 | 0 | 0 | 0 | 110.5 | Y366 K367 L373 M374 | Y366-I370 VanDerWaalsContact O-CG1 3.27Å; Y366-I370 WeakPolarHBondContact O-CG1 3.34Å; Y366-I370 PolarHBondContact O-N 2.98Å; K367-I370 PolarHBondContact O-N 2.93Å; I370-L373 PolarHBondContact O-N 2.91Å; I370-M374 WeakPolarHBondContact O-CB 3.23Å; I370-M374 PolarHBondContact O-N 2.89Å |
| 371 | Q | 77.5 | Confident | 78.2 | Confident | 102 Ų | 102 | 111 Ų | 111 | 48% | 0.477 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | -179.3 | -169.9 | 170.8 | 3.5 | 0 | 0 | 112.6 | K367 Y368 T369 M374 E375 | K367-Q371 PolarHBondContact O-N 2.97Å; Y368-Q371 PolarHBondContact O-N 3.42Å; T369-Q371 VanDerWaalsContact C-N 3.31Å; T369-Q371 PolarHBondContact O-N 2.84Å; Q371-M374 WeakPolarHBondContact O-CB 3.32Å; Q371-M374 PolarHBondContact O-N 3.06Å; Q371-E375 PolarHBondContact O-N 3.41Å |
| 372 | I | 77.4 | Confident | 77.8 | Confident | 66 Ų | 66 | 112.6 Ų | 112.6 | 34% | 0.338 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60 | -49.1 | 176 | -70.1 | 168.9 | 0 | 0 | 0 | 111.2 | Y368 T369 M374 E375 E376 | Y368-I372 HydrophobicContact CD1-CD1 3.81Å; Y368-I372 HydrophobicContact CE1-CD1 3.37Å; Y368-I372 HydrophobicContact CE1-CG1 4.42Å; Y368-I372 WeakPolarHBondContact O-CG1 3.42Å; Y368-I372 PolarHBondContact O-N 3.06Å; T369-I372 PolarHBondContact O-N 3.3Å; I372-M374 PolarHBondContact O-N 3.46Å; I372-E375 PolarHBondContact O-N 3.47Å; I372-E376 WeakPolarHBondContact O-CG 3.25Å; I372-E376 PolarHBondContact O-N 3.41Å |
| 373 | L | 76.9 | Confident | 77.5 | Confident | 102 Ų | 102 | 116.1 Ų | 116.1 | 53% | 0.534 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.9 | -32.3 | 179.6 | -70.6 | 169.7 | 0 | 0 | 0 | 112.1 | T369 I370 N377 | T369-L373 HydrophobicContact CG2-CD1 4.36Å; T369-L373 WeakPolarHBondContact O-CG 3.16Å; T369-L373 PolarHBondContact O-N 3.33Å; I370-L373 PolarHBondContact O-N 2.91Å; L373-N377 WeakPolarHBondContact O-CB 3.19Å; L373-N377 PolarHBondContact O-N 3.32Å; L373-N377 VanDerWaalsContact O-N 3.12Å |
| 374 | M | 76.1 | Confident | 76.8 | Confident | 109 Ų | 109 | 114.4 Ų | 114.4 | 54% | 0.537 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.8 | -42.7 | 177.3 | -166.4 | 173.5 | 56.1 | 0 | 0 | 111.7 | I370 Q371 I372 N377 I378 | I370-M374 WeakPolarHBondContact O-CB 3.23Å; I370-M374 PolarHBondContact O-N 2.89Å; Q371-M374 WeakPolarHBondContact O-CB 3.32Å; Q371-M374 PolarHBondContact O-N 3.06Å; I372-M374 PolarHBondContact O-N 3.46Å; M374-N377 PolarHBondContact O-N 3.31Å; M374-I378 WeakPolarHBondContact O-CG1 3.49Å; M374-I378 PolarHBondContact O-N 2.98Å; M374-I378 VanDerWaalsContact O-N 3.14Å |
| 375 | E | 78.1 | Confident | 75.9 | Confident | 115 Ų | 115 | 114.5 Ų | 114.5 | 54% | 0.537 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 175.4 | -76.1 | 173.3 | -176 | 0 | 0 | 112.2 | Q371 I372 N377 I378 H379 | Q371-E375 PolarHBondContact O-N 3.41Å; I372-E375 PolarHBondContact O-N 3.47Å; E375-N377 VanDerWaalsContact C-N 3.32Å; E375-N377 PolarHBondContact O-N 3.02Å; E375-I378 PolarHBondContact O-N 3.01Å; E375-H379 WeakPolarHBondContact O-CB 3.41Å; E375-H379 PolarHBondContact O-N 2.92Å |
| 376 | E | 76.2 | Confident | 74.9 | Confident | 111 Ų | 111 | 111 Ų | 111 | 52% | 0.519 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 174.3 | -73.7 | -179.2 | 161.4 | 0 | 0 | 112.2 | I372 H379 L380 | I372-E376 WeakPolarHBondContact O-CG 3.25Å; I372-E376 PolarHBondContact O-N 3.41Å; E376-H379 PolarHBondContact O-N 2.78Å; E376-L380 WeakPolarHBondContact O-CG 3.22Å; E376-L380 PolarHBondContact O-N 3.24Å |
| 377 | N | 76.6 | Confident | 73.8 | Confident | 80 Ų | 80 | 111 Ų | 111 | 43% | 0.428 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 178 | -159.5 | -77.8 | 0 | 0 | 0 | 112.1 | L373 M374 E375 L380 K381 | L373-N377 WeakPolarHBondContact O-CB 3.19Å; L373-N377 PolarHBondContact O-N 3.32Å; L373-N377 VanDerWaalsContact O-N 3.12Å; M374-N377 PolarHBondContact O-N 3.31Å; E375-N377 VanDerWaalsContact C-N 3.32Å; E375-N377 PolarHBondContact O-N 3.02Å; N377-L380 PolarHBondContact O-N 3.44Å; N377-K381 WeakPolarHBondContact O-CG 3.37Å; N377-K381 PolarHBondContact O-N 3.13Å; N377-K381 WeakPolarHBondContact OD1-CE 3.23Å; N377-K381 PolarHBondContact OD1-NZ 3.24Å |
| 378 | I | 77.9 | Confident | 72.7 | Confident | 88 Ų | 88 | 110.7 Ų | 110.7 | 45% | 0.451 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 175.8 | -69.1 | 167.3 | 0 | 0 | 0 | 110.3 | M374 E375 L380 K381 Q382 | M374-I378 WeakPolarHBondContact O-CG1 3.49Å; M374-I378 PolarHBondContact O-N 2.98Å; M374-I378 VanDerWaalsContact O-N 3.14Å; E375-I378 PolarHBondContact O-N 3.01Å; I378-L380 VanDerWaalsContact C-N 3.32Å; I378-L380 PolarHBondContact O-N 3.13Å; I378-K381 PolarHBondContact O-N 2.96Å; I378-Q382 PolarHBondContact O-N 3.43Å |
| 379 | H | 78.2 | Confident | 71.7 | Confident | 129 Ų | 129 | 110.7 Ų | 110.7 | 60% | 0.597 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.6 | -35.3 | -179.7 | -159.3 | -45.9 | 0 | 0 | 0 | 112.4 | E375 E376 K383 | E375-H379 WeakPolarHBondContact O-CB 3.41Å; E375-H379 PolarHBondContact O-N 2.92Å; E376-H379 PolarHBondContact O-N 2.78Å; H379-K383 WeakPolarHBondContact O-CB 3.44Å; H379-K383 PolarHBondContact O-N 2.87Å |
| 380 | L | 77.3 | Confident | 70.5 | Confident | 115 Ų | 115 | 115.6 Ų | 115.6 | 60% | 0.602 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.2 | -43 | 173 | -76.6 | 166.4 | 0 | 0 | 0 | 111.8 | E376 N377 I378 K383 V384 | E376-L380 WeakPolarHBondContact O-CG 3.22Å; E376-L380 PolarHBondContact O-N 3.24Å; N377-L380 PolarHBondContact O-N 3.44Å; I378-L380 VanDerWaalsContact C-N 3.32Å; I378-L380 PolarHBondContact O-N 3.13Å; L380-K383 PolarHBondContact O-N 3.27Å; L380-V384 WeakPolarHBondContact O-CG2 3.34Å; L380-V384 PolarHBondContact O-N 3.38Å |
| 381 | K | 72.9 | Confident | 68.8 | Low | 134 Ų | 134 | 118 Ų | 118 | 58% | 0.583 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.6 | -43.5 | 177.2 | -76.9 | 173.9 | 175 | 169.3 | 0 | 112.5 | N377 I378 K383 V384 L385 | N377-K381 WeakPolarHBondContact O-CG 3.37Å; N377-K381 PolarHBondContact O-N 3.13Å; N377-K381 WeakPolarHBondContact OD1-CE 3.23Å; N377-K381 PolarHBondContact OD1-NZ 3.24Å; I378-K381 PolarHBondContact O-N 2.96Å; K381-K383 PolarHBondContact O-N 3.09Å; K381-V384 PolarHBondContact O-N 3.11Å; K381-L385 PolarHBondContact O-N 3.22Å |
| 382 | Q | 71.1 | Confident | 67 | Low | 127 Ų | 127 | 123.3 Ų | 123.3 | 59% | 0.593 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.2 | -37.5 | 177.8 | -78.1 | 176.4 | -23.2 | 0 | 0 | 112.9 | I378 V384 L385 S386 | I378-Q382 PolarHBondContact O-N 3.43Å; Q382-V384 VanDerWaalsContact C-N 3.34Å; Q382-V384 PolarHBondContact O-N 3.05Å; Q382-L385 PolarHBondContact O-N 3.02Å; Q382-S386 PolarHBondContact O-N 3.44Å; Q382-S386 PolarHBondContact O-OG 2.95Å |
| 383 | K | 72.6 | Confident | 65.2 | Low | 139 Ų | 139 | 126.6 Ų | 126.6 | 60% | 0.604 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.2 | -27.8 | -179.4 | -163.6 | 174 | -171 | 174.7 | 0 | 113.7 | H379 L380 K381 S386 | H379-K383 WeakPolarHBondContact O-CB 3.44Å; H379-K383 PolarHBondContact O-N 2.87Å; L380-K383 PolarHBondContact O-N 3.27Å; K381-K383 PolarHBondContact O-N 3.09Å; K383-S386 PolarHBondContact O-OG 3.16Å |
| 384 | V | 63.7 | Low | 63.5 | Low | 93 Ų | 93 | 130.9 Ų | 130.9 | 56% | 0.564 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -75.1 | -38.9 | 174.7 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | L380 K381 Q382 | L380-V384 WeakPolarHBondContact O-CG2 3.34Å; L380-V384 PolarHBondContact O-N 3.38Å; K381-V384 PolarHBondContact O-N 3.11Å; Q382-V384 VanDerWaalsContact C-N 3.34Å; Q382-V384 PolarHBondContact O-N 3.05Å |
| 385 | L | 61.8 | Low | 61.2 | Low | 116 Ų | 116 | 136 Ų | 136 | 61% | 0.607 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -64 | -48.9 | 177.8 | -98.7 | 146 | 0 | 0 | 0 | 112.4 | K381 Q382 K387 N388 | K381-L385 PolarHBondContact O-N 3.22Å; Q382-L385 PolarHBondContact O-N 3.02Å; L385-K387 PolarHBondContact O-N 2.98Å; L385-K387 VanDerWaalsContact O-N 3.13Å; L385-N388 PolarHBondContact O-N 2.81Å |
| 386 | S | 59.3 | Low | 59 | Low | 72 Ų | 72 | 134.9 Ų | 134.9 | 50% | 0.503 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -63.3 | -22.8 | -177.7 | 56.3 | 0 | 0 | 0 | 0 | 114.5 | Q382 K383 | Q382-S386 PolarHBondContact O-N 3.44Å; Q382-S386 PolarHBondContact O-OG 2.95Å; K383-S386 PolarHBondContact O-OG 3.16Å |
| 387 | K | 60.1 | Low | 56.9 | Low | 164 Ų | 164 | 132.3 Ų | 132.3 | 71% | 0.713 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -91.1 | -19.4 | -175.7 | -132.8 | 177.9 | -175.8 | -177.6 | 0 | 113.8 | L385 | L385-K387 PolarHBondContact O-N 2.98Å; L385-K387 VanDerWaalsContact O-N 3.13Å |
| 388 | N | 56.7 | Low | 54.9 | Low | 124 Ų | 124 | 139.3 Ų | 139.3 | 66% | 0.663 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -87.8 | -17.4 | 178.5 | -77.9 | -13 | 0 | 0 | 0 | 112.7 | L385 | L385-N388 PolarHBondContact O-N 2.81Å |
| 389 | E | 56.8 | Low | 52.8 | Low | 157 Ų | 157 | 141.8 Ų | 141.8 | 73% | 0.734 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -93.3 | -10.3 | -173.6 | -143.9 | 148.5 | -157.4 | 0 | 0 | 113.8 | ||
| 390 | E | 53.6 | Low | 50.4 | Low | 175 Ų | 175 | 139.7 Ų | 139.7 | 82% | 0.818 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -0.7 | 176.3 | -83.4 | -177 | 164.5 | 0 | 0 | 115 | ||
| 391 | M | 43.6 | Very low | 48.2 | Very low | 161 Ų | 161 | 139.1 Ų | 139.1 | 79% | 0.793 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | 20.7 | -176 | -84.6 | -128.2 | -48.6 | 0 | 0 | 116.1 | ||
| 392 | Y | 40.9 | Very low | 46.4 | Very low | 212 Ų | 212 | 140.1 Ų | 140.1 | 83% | 0.831 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -141.2 | 89.3 | 167.8 | -85.6 | -86.5 | 0 | 0 | 0 | 109.3 | ||
| 393 | E | 40.1 | Very low | 44.3 | Very low | 135 Ų | 135 | 139.9 Ų | 139.9 | 63% | 0.631 | 71% | 0.714 | S | S | * | * | trans | 169.1 | 66.4 | 151.9 | -90.4 | -62.4 | 168.3 | 0 | 0 | 114.2 | S396 | E393-S396 WeakPolarHBondContact OE2-CA 3.14Å; E393-S396 PolarHBondContact OE2-N 2.95Å | ||
| 394 | E | 39.8 | Very low | 42.4 | Very low | 193 Ų | 193 | 139.1 Ų | 139.1 | 90% | 0.902 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -124.5 | 106.7 | 142.7 | -178.2 | -175.2 | -147 | 0 | 0 | 103.9 | ||
| 395 | Y | 28.5 | Very low | 40.9 | Very low | 215 Ų | 215 | 139 Ų | 139 | 84% | 0.843 | 72% | 0.724 | S | S | * | * | S | Bend | cis | -142.6 | 115.5 | -10 | -129.6 | -94 | 0 | 0 | 0 | 108.6 | ||
| 396 | S | 32.3 | Very low | 39.5 | Very low | 92 Ų | 92 | 142.3 Ų | 142.3 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | trans | 60.2 | 107.4 | 147.5 | -151.7 | 0 | 0 | 0 | 0 | 120 | E393 | E393-S396 WeakPolarHBondContact OE2-CA 3.14Å; E393-S396 PolarHBondContact OE2-N 2.95Å | ||
| 397 | G | 31.9 | Very low | 38.4 | Very low | 57 Ų | 57 | 145.2 Ų | 145.2 | 59% | 0.588 | 74% | 0.744 | S | S | * | * | 111.1 | 118.6 | 113.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 398 | R | 35.1 | Very low | 37.3 | Very low | 228 Ų | 228 | 143.9 Ų | 143.9 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | 155.3 | 119.1 | 111 | -171.7 | 168.9 | -135.6 | -107 | 2.1 | 113 | |||||
| 399 | L | 33.6 | Very low | 36.4 | Very low | 139 Ų | 139 | 142.6 Ų | 142.6 | 73% | 0.728 | 75% | 0.745 | S | S | * | * | trans | 77.7 | 112.6 | 155.5 | -62 | 163.1 | 0 | 0 | 0 | 117.9 | ||||
| 400 | A | 28 | Very low | 35.6 | Very low | 85 Ų | 85 | 142.5 Ų | 142.5 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | 70.6 | 135.6 | 67.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 401 | S | 30.9 | Very low | 34.8 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | cis | -179.7 | 158.6 | -0.8 | -77.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 402 | I | 34 | Very low | 34.7 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | 164.1 | 103.8 | 147.4 | -89.7 | 161.3 | 0 | 0 | 0 | 111.6 | ||||
| 403 | T | 27.4 | Very low | 34.4 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | 65.5 | 143.5 | 112.6 | 67.3 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 404 | V | 31.8 | Very low | 34.3 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | cis | -169.5 | 155.9 | 24 | 109.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 405 | S | 32.8 | Very low | 34.1 | Very low | 90 Ų | 90 | 132.9 Ų | 132.9 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | trans | -24.7 | 164 | 159.5 | 54.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 406 | K | 32.8 | Very low | 34.7 | Very low | 186 Ų | 186 | 127.5 Ų | 127.5 | 81% | 0.809 | 74% | 0.74 | S | S | * | * | cis | -178.9 | 124 | 49.5 | -160 | 159.9 | -178.4 | 173.8 | 0 | 113 | ||||
| 407 | D | 36.3 | Very low | 35.3 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | 33.5 | 138.8 | 126.1 | -75.9 | -14.9 | 0 | 0 | 0 | 125 | |||||
| 408 | D | 35.7 | Very low | 35.7 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | 92 | 99.2 | 130.4 | -69.2 | -15.8 | 0 | 0 | 0 | 122.8 | ||||
| 409 | S | 39.8 | Very low | 36 | Very low | 97 Ų | 97 | 136.6 Ų | 136.6 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | 66.6 | 101.3 | 118.7 | 73.2 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 410 | D | 38.5 | Very low | 36.4 | Very low | 155 Ų | 155 | 136.3 Ų | 136.3 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | 28.2 | 125 | 113.5 | -69.2 | -21.8 | 0 | 0 | 0 | 119.6 | |||||
| 411 | T | 36.9 | Very low | 37.1 | Very low | 136 Ų | 136 | 140 Ų | 140 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | -161.7 | 123.2 | 126.1 | 11.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 412 | V | 41.8 | Very low | 37.6 | Very low | 135 Ų | 135 | 144.5 Ų | 144.5 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | 66.4 | 96.3 | 147.2 | -163.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 413 | E | 35.3 | Very low | 37.8 | Very low | 195 Ų | 195 | 144 Ų | 144 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | trans | -118.9 | 133.6 | 135.3 | -88.3 | -153.3 | 157.7 | 0 | 0 | 107.9 | ||||
| 414 | D | 36.8 | Very low | 38.3 | Very low | 162 Ų | 162 | 145.2 Ų | 145.2 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | trans | -141.1 | 130.7 | 134.3 | -161.9 | 14.4 | 0 | 0 | 0 | 110.2 | ||||
| 415 | G | 37.2 | Very low | 38.7 | Very low | 45 Ų | 45 | 146.3 Ų | 146.3 | 46% | 0.464 | 78% | 0.784 | S | S | . | * | trans | -119.1 | 143.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 416 | S | 40.1 | Very low | 39 | Very low | 103 Ų | 103 | 149.6 Ų | 149.6 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | 87.2 | 117.8 | 136.7 | -62.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 417 | K | 44.6 | Very low | 39.4 | Very low | 192 Ų | 192 | 147.4 Ų | 147.4 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | 75.6 | 137.2 | 133.2 | -66.5 | 170.9 | -178.1 | 168.6 | 0 | 114.9 | ||||
| 418 | K | 40.3 | Very low | 39.6 | Very low | 175 Ų | 175 | 148.3 Ų | 148.3 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | cis | -177.3 | 145.8 | 48.5 | -144 | 177.2 | -176.1 | 178.2 | 0 | 109.4 | ||||
| 419 | R | 41.4 | Very low | 39.9 | Very low | 201 Ų | 201 | 149.2 Ų | 149.2 | 76% | 0.758 | 80% | 0.803 | S | S | * | * | trans | 44.3 | 130.1 | 138.3 | -84.3 | -178.4 | 170.4 | -168.9 | -0.2 | 123.2 | ||||
| 420 | Q | 41.4 | Very low | 39.9 | Very low | 132 Ų | 132 | 153.2 Ų | 153.2 | 62% | 0.617 | 81% | 0.812 | S | S | * | * | 88 | 127.7 | 128.4 | -89.7 | 174.7 | -80.3 | 0 | 0 | 121.4 | |||||
| 421 | E | 43.8 | Very low | 40 | Very low | 164 Ų | 164 | 153.1 Ų | 153.1 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | trans | 71.8 | 118.3 | 151 | -66.9 | 160.9 | -155.9 | 0 | 0 | 115.8 | ||||
| 422 | S | 40.6 | Very low | 40.3 | Very low | 197 Ų | 197 | 154.6 Ų | 154.6 | 100% | 1.378 | 81% | 0.809 | S | S | * | * | cis | -130.7 | 0 | 15.2 | -69 | 0 | 0 | 0 | 0 | 113 |
Retrieved 422 of 422 residues in 1349.1 ms
(Link to these results)