| 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 | 37.1 | Very low | 40.1 | Very low | 249 Ų | 249 | 148.5 Ų | 148.5 | 100% | 1.227 | 87% | 0.871 | S | S | * | * | 0 | 129.5 | 0 | -74.1 | 157.6 | 177.5 | 0 | 0 | 106.1 | |||||
| 2 | D | 40.3 | Very low | 39.8 | Very low | 141 Ų | 141 | 142.4 Ų | 142.4 | 75% | 0.754 | 86% | 0.863 | S | S | * | * | trans | -85.3 | 142.7 | -163.6 | -172.9 | -87.2 | 0 | 0 | 0 | 112.5 | ||||
| 3 | Q | 41.3 | Very low | 39.4 | Very low | 191 Ų | 191 | 144.3 Ų | 144.3 | 89% | 0.893 | 87% | 0.866 | S | S | * | * | trans | -174.2 | 111 | 146.3 | -104.3 | 144.7 | 102.6 | 0 | 0 | 109.4 | ||||
| 4 | G | 37.8 | Very low | 38.8 | Very low | 72 Ų | 72 | 139.1 Ų | 139.1 | 74% | 0.742 | 86% | 0.856 | S | S | * | * | trans | -75.7 | 157.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 5 | A | 41 | Very low | 38.8 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 89% | 0.893 | 87% | 0.865 | S | S | * | * | trans | -109.2 | 126.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 6 | E | 42.8 | Very low | 38.3 | Very low | 179 Ų | 179 | 135.8 Ų | 135.8 | 84% | 0.836 | 87% | 0.865 | S | S | * | * | trans | -147.2 | 125.4 | 172.3 | 58.6 | -177.1 | 94 | 0 | 0 | 110.4 | ||||
| 7 | N | 41.3 | Very low | 37.9 | Very low | 159 Ų | 159 | 133.9 Ų | 133.9 | 85% | 0.85 | 86% | 0.857 | S | S | * | * | trans | -178.6 | 108.3 | 144.6 | -113.1 | -97.9 | 0 | 0 | 0 | 110.2 | ||||
| 8 | D | 36.5 | Very low | 37.9 | Very low | 155 Ų | 155 | 134.9 Ų | 134.9 | 83% | 0.829 | 85% | 0.853 | S | S | * | * | trans | -119.7 | 129 | 166.3 | -91.9 | -78.1 | 0 | 0 | 0 | 108.3 | ||||
| 9 | L | 41 | Very low | 37.6 | Very low | 173 Ų | 173 | 133.5 Ų | 133.5 | 91% | 0.906 | 85% | 0.848 | S | S | * | * | trans | 163.4 | 105.7 | 148.1 | -92.1 | 178.9 | 0 | 0 | 0 | 110.7 | ||||
| 10 | P | 47.4 | Very low | 37.5 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 81% | 0.812 | 85% | 0.845 | S | S | * | * | trans | -100.4 | 148.7 | 163.9 | 35.4 | -29.6 | 0 | 0 | 0 | 112 | ||||
| 11 | G | 34.5 | Very low | 37.5 | Very low | 82 Ų | 82 | 135.8 Ų | 135.8 | 85% | 0.845 | 85% | 0.847 | S | S | * | * | trans | -108.9 | 118.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 12 | G | 36.9 | Very low | 37.7 | Very low | 75 Ų | 75 | 129.6 Ų | 129.6 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | 82.7 | 116.2 | 117.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 13 | D | 33.8 | Very low | 37.6 | Very low | 167 Ų | 167 | 128 Ų | 128 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | -159 | 145.4 | 154 | 48.8 | -66.2 | 0 | 0 | 0 | 114.1 | ||||
| 14 | G | 31.5 | Very low | 37.8 | Very low | 71 Ų | 71 | 128.7 Ų | 128.7 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | 92.5 | 101.7 | 139 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 15 | S | 38.6 | Very low | 38.3 | Very low | 142 Ų | 142 | 135.5 Ų | 135.5 | 99% | 0.993 | 81% | 0.811 | S | S | * | * | trans | 67.4 | 140.9 | 140.8 | -90 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 16 | G | 30.5 | Very low | 38.7 | Very low | 83 Ų | 83 | 141 Ų | 141 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | 164.2 | 115.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 17 | S | 32.4 | Very low | 39.1 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -98.1 | 138.2 | -169.3 | 166.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 18 | L | 37.5 | Very low | 39 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | 56 | 131.3 | 143.7 | -65.3 | 172.7 | 0 | 0 | 0 | 124.1 | ||||
| 19 | S | 33.3 | Very low | 39.5 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | 86.5 | 140.1 | 128.5 | 62.3 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 20 | D | 33.8 | Very low | 39.8 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | 81.2 | 108 | 155.3 | -123.7 | -87.4 | 0 | 0 | 0 | 121.4 | ||||
| 21 | L | 38.8 | Very low | 39.7 | Very low | 167 Ų | 167 | 139.1 Ų | 139.1 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -159.2 | 105 | 150.2 | -116.5 | 159 | 0 | 0 | 0 | 110.5 | V23 | L21-V23 PolarHBondContact O-N 3.49Š| ||
| 22 | D | 41.3 | Very low | 40 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 64% | 0.642 | 79% | 0.793 | S | S | * | * | trans | -61.5 | 121.7 | 179.9 | -169.1 | -33.4 | 0 | 0 | 0 | 112.6 | R24 | D22-R24 WeakPolarHBondContact OD1-CB 3.06Å; D22-R24 PolarHBondContact OD1-N 3.45Å | ||
| 23 | V | 37 | Very low | 40.1 | Very low | 107 Ų | 107 | 144.9 Ų | 144.9 | 65% | 0.648 | 79% | 0.794 | S | S | * | * | trans | -135.8 | 79.2 | 155.9 | -168.1 | 0 | 0 | 0 | 0 | 110.6 | L21 R25 | L21-V23 PolarHBondContact O-N 3.49Å; V23-R25 HydrophobicContact CG1-CG 3.74Å; V23-R25 PolarHBondContact O-N 3.01Å | ||
| 24 | R | 46.8 | Very low | 40.8 | Very low | 206 Ų | 206 | 146.2 Ų | 146.2 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | -59.4 | 71.1 | 166.2 | -165.2 | 175.9 | -176 | -161.1 | 3.9 | 113 | D22 R26 | D22-R24 WeakPolarHBondContact OD1-CB 3.06Å; D22-R24 PolarHBondContact OD1-N 3.45Å; R24-R26 PolarHBondContact O-N 3.46Å | ||
| 25 | R | 48.8 | Very low | 41.3 | Very low | 214 Ų | 214 | 148 Ų | 148 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | trans | -65.9 | 103.7 | 174.9 | -69.5 | -160.4 | -173.9 | 115.2 | 4.6 | 110.8 | V23 I27 | V23-R25 HydrophobicContact CG1-CG 3.74Å; V23-R25 PolarHBondContact O-N 3.01Å; R25-I27 PolarHBondContact O-N 3.44Å | ||
| 26 | R | 48.2 | Very low | 41.3 | Very low | 223 Ų | 223 | 147 Ų | 147 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | trans | -62.9 | 117.2 | 173.8 | -55.8 | 178.3 | -169.9 | -143 | 2.8 | 109.3 | R24 P28 | R24-R26 PolarHBondContact O-N 3.46Å; R26-P28 WeakPolarHBondContact O-CD 3.39Å | ||
| 27 | I | 50.7 | Low | 41.7 | Very low | 150 Ų | 150 | 150.9 Ų | 150.9 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -79 | 117.9 | 171.2 | -57 | 171.7 | 0 | 0 | 0 | 107.7 | R25 I29 | R25-I27 PolarHBondContact O-N 3.44Å; I27-I29 PolarHBondContact O-N 3.38Å; I27-I29 VanDerWaalsContact O-N 3.14Å | ||
| 28 | P | 40.1 | Very low | 42.3 | Very low | 107 Ų | 107 | 156.9 Ų | 156.9 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | trans | -75 | 103.9 | 174.1 | 29.6 | -32.2 | 0 | 0 | 0 | 110 | R26 K30 | R26-P28 WeakPolarHBondContact O-CD 3.39Å; P28-K30 PolarHBondContact O-N 2.92Å | ||
| 29 | I | 46.3 | Very low | 42.3 | Very low | 149 Ų | 149 | 154.3 Ų | 154.3 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | -69.2 | 101.5 | 171.4 | -61.1 | 169.3 | 0 | 0 | 0 | 108.2 | I27 L31 | I27-I29 PolarHBondContact O-N 3.38Å; I27-I29 VanDerWaalsContact O-N 3.14Å; I29-L31 PolarHBondContact O-N 3.27Å | ||
| 30 | K | 47.7 | Very low | 42.7 | Very low | 182 Ų | 182 | 158.2 Ų | 158.2 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -73.8 | 109.8 | 168.3 | -71.6 | -177.4 | 176.8 | 179.9 | 0 | 108.8 | P28 L32 | P28-K30 PolarHBondContact O-N 2.92Å; K30-L32 PolarHBondContact O-N 3.37Å | ||
| 31 | L | 45.7 | Very low | 43.1 | Very low | 164 Ų | 164 | 156.6 Ų | 156.6 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | -61.3 | 114.2 | 168.5 | -79.4 | 159.3 | 0 | 0 | 0 | 109.4 | I29 S33 | I29-L31 PolarHBondContact O-N 3.27Å; L31-S33 PolarHBondContact O-N 3.06Å | ||
| 32 | L | 40.9 | Very low | 43.4 | Very low | 166 Ų | 166 | 154.3 Ų | 154.3 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | trans | -72 | 111 | 168.4 | -110.2 | 67 | 0 | 0 | 0 | 109.1 | K30 | K30-L32 PolarHBondContact O-N 3.37Š| ||
| 33 | S | 38.9 | Very low | 43 | Very low | 112 Ų | 112 | 155 Ų | 155 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 138.4 | 169.3 | 40.1 | 0 | 0 | 0 | 0 | 110.5 | L31 | L31-S33 PolarHBondContact O-N 3.06Š|
| 34 | K | 49.1 | Very low | 42.9 | Very low | 196 Ų | 196 | 161.2 Ų | 161.2 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 131 | 177.8 | -69.7 | 143 | 175.6 | 172.5 | 0 | 109.8 | ||
| 35 | P | 40.6 | Very low | 42.4 | Very low | 108 Ų | 108 | 159.4 Ų | 159.4 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 140.4 | 171.5 | 29.6 | -33.3 | 0 | 0 | 0 | 110.7 | L37 | P35-L37 PolarHBondContact O-N 2.94Š|
| 36 | P | 38.9 | Very low | 41.8 | Very low | 122 Ų | 122 | 158.1 Ų | 158.1 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | trans | -79.6 | 104.9 | 177.1 | 30.9 | -32.6 | 0 | 0 | 0 | 110.8 | R38 | P36-R38 VanDerWaalsContact C-N 3.35Å; P36-R38 PolarHBondContact O-N 2.77Å | ||
| 37 | L | 39 | Very low | 41.2 | Very low | 163 Ų | 163 | 158.9 Ų | 158.9 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -72.9 | 87.5 | 173 | -77.6 | 173.8 | 0 | 0 | 0 | 111.4 | P35 S39 | P35-L37 PolarHBondContact O-N 2.94Å; L37-S39 PolarHBondContact O-N 2.93Å | ||
| 38 | R | 44.8 | Very low | 40.4 | Very low | 231 Ų | 231 | 157.3 Ų | 157.3 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | trans | -84.1 | 92.3 | 166.4 | 176.6 | -179.8 | 158.2 | 135.6 | -9.2 | 109.7 | P36 | P36-R38 VanDerWaalsContact C-N 3.35Å; P36-R38 PolarHBondContact O-N 2.77Å | ||
| 39 | S | 37.7 | Very low | 40.1 | Very low | 97 Ų | 97 | 156 Ų | 156 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | trans | -144 | 111.1 | 167.8 | 46.1 | 0 | 0 | 0 | 0 | 110.2 | L37 | L37-S39 PolarHBondContact O-N 2.93Š| ||
| 40 | K | 41.8 | Very low | 39.4 | Very low | 191 Ų | 191 | 157.2 Ų | 157.2 | 83% | 0.83 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 132.8 | -179.4 | -63.9 | 173.1 | 174.6 | -178.7 | 0 | 110.2 | ||
| 41 | P | 41.8 | Very low | 38.9 | Very low | 114 Ų | 114 | 159.4 Ų | 159.4 | 74% | 0.74 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 152.9 | 161 | 31.6 | -32.6 | 0 | 0 | 0 | 110.7 | ||
| 42 | P | 44.6 | Very low | 38.3 | Very low | 119 Ų | 119 | 157.6 Ų | 157.6 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -71 | 151.6 | 177.2 | 29.8 | -34.7 | 0 | 0 | 0 | 111.9 | R44 | P42-R44 PolarHBondContact O-N 2.98Š|
| 43 | P | 34.4 | Very low | 37.7 | Very low | 133 Ų | 133 | 155.7 Ų | 155.7 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -73 | 126.4 | -175.9 | 29.5 | -34.1 | 0 | 0 | 0 | 111.7 | ||
| 44 | R | 34.8 | Very low | 37.6 | Very low | 238 Ų | 238 | 159.3 Ų | 159.3 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 140.9 | 169.1 | -154.7 | 172.1 | -165.4 | 150.4 | 3.7 | 110 | P42 | P42-R44 PolarHBondContact O-N 2.98Š|
| 45 | I | 35.9 | Very low | 36.6 | Very low | 168 Ų | 168 | 155.6 Ų | 155.6 | 86% | 0.862 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 134.8 | -171 | -66.5 | 155.1 | 0 | 0 | 0 | 112.4 | ||
| 46 | Q | 36.9 | Very low | 36.2 | Very low | 187 Ų | 187 | 158.2 Ų | 158.2 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 142.3 | 171.5 | -69.5 | -175.1 | 66.4 | 0 | 0 | 111.7 | ||
| 47 | R | 33.6 | Very low | 36.2 | Very low | 240 Ų | 240 | 158.4 Ų | 158.4 | 91% | 0.906 | 82% | 0.824 | S | S | * | * | trans | -161.7 | 158.2 | 155.4 | -128.1 | -170.3 | -173 | -172.6 | 3.4 | 110.1 | ||||
| 48 | P | 35.6 | Very low | 35.8 | Very low | 116 Ų | 116 | 154 Ų | 154 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | -108.8 | 155.1 | -80 | 35.4 | -27.6 | 0 | 0 | 0 | 111.8 | |||||
| 49 | G | 32.3 | Very low | 35.4 | Very low | 79 Ų | 79 | 151.1 Ų | 151.1 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | trans | -84.1 | 175.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 50 | I | 33 | Very low | 35.1 | Very low | 175 Ų | 175 | 153.5 Ų | 153.5 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | trans | -113 | 144.2 | 163.7 | -62.5 | 178.7 | 0 | 0 | 0 | 107.8 | ||||
| 51 | R | 36.4 | Very low | 35 | Very low | 229 Ų | 229 | 150.8 Ų | 150.8 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 153.7 | -167.7 | -75.3 | 175 | -77.5 | -145.3 | -4.5 | 113.7 | ||
| 52 | P | 33 | Very low | 34.9 | Very low | 126 Ų | 126 | 153.6 Ų | 153.6 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 147.3 | 171.6 | 33.6 | -34.4 | 0 | 0 | 0 | 111.9 | ||
| 53 | C | 28.9 | Very low | 34.1 | Very low | 125 Ų | 125 | 157.8 Ų | 157.8 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 136.5 | 165.7 | -72.2 | 0 | 0 | 0 | 0 | 110.2 | ||
| 54 | K | 36.8 | Very low | 34 | Very low | 188 Ų | 188 | 158.1 Ų | 158.1 | 82% | 0.817 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 152.6 | 167.4 | -95.7 | -168.2 | 164 | -162.7 | 0 | 110.7 | ||
| 55 | P | 28.6 | Very low | 33.9 | Very low | 119 Ų | 119 | 156.7 Ų | 156.7 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | -141.5 | 162.6 | 103.5 | 37.7 | -24.5 | 0 | 0 | 0 | 115 | |||||
| 56 | E | 31.3 | Very low | 33.7 | Very low | 162 Ų | 162 | 157.7 Ų | 157.7 | 76% | 0.757 | 82% | 0.815 | S | S | * | * | trans | -139.5 | 161.8 | 163.2 | -70.6 | -86.2 | 133.4 | 0 | 0 | 105.6 | ||||
| 57 | P | 39.9 | Very low | 33.4 | Very low | 126 Ų | 126 | 157.1 Ų | 157.1 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | -111.9 | 169.8 | -53.9 | 37.4 | -26.1 | 0 | 0 | 0 | 110.3 | |||||
| 58 | G | 30.6 | Very low | 33.3 | Very low | 70 Ų | 70 | 151.7 Ų | 151.7 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | -170.2 | 140 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 59 | E | 35.4 | Very low | 33.1 | Very low | 172 Ų | 172 | 155 Ų | 155 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -81.9 | 173.8 | -168.7 | 57 | -118.6 | 61.9 | 0 | 0 | 117.3 | ||||
| 60 | D | 32.3 | Very low | 33.2 | Very low | 146 Ų | 146 | 158.1 Ų | 158.1 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | 69.7 | 121.3 | 159.1 | 87 | -92.6 | 0 | 0 | 0 | 124.2 | ||||
| 61 | D | 38.7 | Very low | 33.1 | Very low | 135 Ų | 135 | 159.3 Ų | 159.3 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | 42.3 | 140 | 147.5 | -138.9 | -119.7 | 0 | 0 | 0 | 124.3 | ||||
| 62 | K | 39.4 | Very low | 33 | Very low | 173 Ų | 173 | 153.5 Ų | 153.5 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | 67.8 | 98.1 | 167.4 | -77.3 | 160.3 | -179.4 | 170.7 | 0 | 120.5 | ||||
| 63 | F | 27.3 | Very low | 33 | Very low | 206 Ų | 206 | 153.8 Ų | 153.8 | 90% | 0.904 | 78% | 0.778 | S | S | * | * | trans | -125 | 123 | 137.8 | -85.9 | -104.2 | 0 | 0 | 0 | 106.4 | ||||
| 64 | N | 32.4 | Very low | 33.3 | Very low | 141 Ų | 141 | 152.1 Ų | 152.1 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | cis | 57.4 | 76.7 | 37.3 | -149 | -43.9 | 0 | 0 | 0 | 112.9 | ||||
| 65 | F | 32.8 | Very low | 33.5 | Very low | 207 Ų | 207 | 149.5 Ų | 149.5 | 91% | 0.908 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 124 | 170.9 | -147.2 | -88.4 | 0 | 0 | 0 | 110 | Q67 | F65-Q67 PolarHBondContact O-N 2.77Š|
| 66 | K | 32.7 | Very low | 34.2 | Very low | 190 Ų | 190 | 153.2 Ų | 153.2 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 124.3 | -166.9 | -151.7 | -176.1 | -178.8 | -169.5 | 0 | 111.6 | ||
| 67 | Q | 31.2 | Very low | 34.2 | Very low | 174 Ų | 174 | 149.5 Ų | 149.5 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 158.6 | 163.6 | -178.4 | 174.3 | -4.5 | 0 | 0 | 110.1 | F65 | F65-Q67 PolarHBondContact O-N 2.77Š|
| 68 | E | 30.2 | Very low | 34.2 | Very low | 127 Ų | 127 | 147.2 Ų | 147.2 | 59% | 0.593 | 77% | 0.767 | S | S | * | * | trans | 84.2 | 91.5 | 167.5 | -156.3 | 165.3 | 135.6 | 0 | 0 | 117.1 | R70 | E68-R70 HydrophobicContact CG-CB 3.77Å; E68-R70 HydrophobicContact CG-CG 4.36Å; E68-R70 WeakPolarHBondContact OE1-CD 3.36Å; E68-R70 IonicContact OE1-CZ 3.94Å; E68-R70 IonicContact OE1-NE 3.4Å; E68-R70 IonicContact OE1-NH1 3.6Å; E68-R70 PolarHBondContact OE1-NH1 2.86Å; E68-R70 IonicContact OE2-NH1 2.86Å | ||
| 69 | E | 32.6 | Very low | 34.5 | Very low | 185 Ų | 185 | 151.4 Ų | 151.4 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | -107.8 | 140.8 | 122.5 | -169 | 172 | 121.8 | 0 | 0 | 107.8 | |||||
| 70 | R | 34.1 | Very low | 35 | Very low | 144 Ų | 144 | 149 Ų | 149 | 54% | 0.543 | 77% | 0.769 | S | S | . | * | trans | -124.8 | 106.4 | -149.6 | -177.8 | -171.5 | -176.5 | 131 | -8.8 | 109.9 | E68 D72 | E68-R70 HydrophobicContact CG-CB 3.77Å; E68-R70 HydrophobicContact CG-CG 4.36Å; E68-R70 WeakPolarHBondContact OE1-CD 3.36Å; E68-R70 IonicContact OE1-CZ 3.94Å; E68-R70 IonicContact OE1-NE 3.4Å; E68-R70 IonicContact OE1-NH1 3.6Å; E68-R70 PolarHBondContact OE1-NH1 2.86Å; E68-R70 IonicContact OE2-NH1 2.86Å; R70-D72 WeakPolarHBondContact CD-OD2 3.36Å; R70-D72 WeakPolarHBondContact CG-OD2 3.36Å; R70-D72 IonicContact CZ-OD1 2.61Å; R70-D72 IonicContact CZ-OD2 2.98Å; R70-D72 IonicContact NE-OD1 3.91Å; R70-D72 PolarHBondContact NE-OD1 2.87Å; R70-D72 IonicContact NE-OD2 3.14Å; R70-D72 PolarHBondContact NE-OD2 2.78Å; R70-D72 IonicContact NH2-OD1 3.28Å; R70-D72 PolarHBondContact NH2-OD1 3.2Å; R70-D72 PolarHBondContact O-N 3.4Å | ||
| 71 | F | 30.5 | Very low | 35.3 | Very low | 201 Ų | 201 | 152.1 Ų | 152.1 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | trans | -83.1 | 88.4 | 163.5 | -78.6 | -81.1 | 0 | 0 | 0 | 109.1 | C73 | F71-C73 PolarHBondContact O-N 3.41Š| ||
| 72 | D | 33.6 | Very low | 35.1 | Very low | 106 Ų | 106 | 149.2 Ų | 149.2 | 57% | 0.567 | 78% | 0.778 | S | S | * | * | trans | -64.6 | 99.4 | 169.2 | -77.2 | -67 | 0 | 0 | 0 | 110.1 | R70 | R70-D72 WeakPolarHBondContact CD-OD2 3.36Å; R70-D72 WeakPolarHBondContact CG-OD2 3.36Å; R70-D72 IonicContact CZ-OD1 2.61Å; R70-D72 IonicContact CZ-OD2 2.98Å; R70-D72 IonicContact NE-OD1 3.91Å; R70-D72 PolarHBondContact NE-OD1 2.87Å; R70-D72 IonicContact NE-OD2 3.14Å; R70-D72 PolarHBondContact NE-OD2 2.78Å; R70-D72 IonicContact NH2-OD1 3.28Å; R70-D72 PolarHBondContact NH2-OD1 3.2Å; R70-D72 PolarHBondContact O-N 3.4Å | ||
| 73 | C | 34.2 | Very low | 35.3 | Very low | 132 Ų | 132 | 146.9 Ų | 146.9 | 89% | 0.892 | 78% | 0.784 | S | S | * | * | trans | -104.9 | 66 | 156.6 | -172.1 | 0 | 0 | 0 | 0 | 109.1 | F71 | F71-C73 PolarHBondContact O-N 3.41Š| ||
| 74 | C | 35.1 | Very low | 35.8 | Very low | 90 Ų | 90 | 146 Ų | 146 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | trans | -100.7 | 107.8 | 169.9 | -169.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 75 | T | 40.2 | Very low | 36.7 | Very low | 134 Ų | 134 | 150.4 Ų | 150.4 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -136.3 | 91 | 137.5 | -56.4 | 0 | 0 | 0 | 0 | 107.2 | A77 | T75-A77 PolarHBondContact O-N 3.15Š| ||
| 76 | K | 43.4 | Very low | 37.3 | Very low | 197 Ų | 197 | 152 Ų | 152 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | trans | -75.4 | 108.3 | 164 | -71.6 | -164.8 | 176.3 | -172 | 0 | 108.2 | ||||
| 77 | A | 32.3 | Very low | 37.4 | Very low | 84 Ų | 84 | 151.7 Ų | 151.7 | 69% | 0.694 | 79% | 0.787 | S | S | * | * | trans | -113.5 | 104.9 | 151.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | T75 D79 | T75-A77 PolarHBondContact O-N 3.15Å; A77-D79 PolarHBondContact O-N 3.04Å | ||
| 78 | G | 38.8 | Very low | 38.1 | Very low | 77 Ų | 77 | 149.2 Ų | 149.2 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | -84.4 | 104 | 168.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 79 | D | 37.4 | Very low | 38.5 | Very low | 159 Ų | 159 | 151.4 Ų | 151.4 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | -131.8 | 147.8 | 167.7 | -102.4 | -56.8 | 0 | 0 | 0 | 111.1 | A77 | A77-D79 PolarHBondContact O-N 3.04Š| ||
| 80 | V | 45.6 | Very low | 39.3 | Very low | 120 Ų | 120 | 147.9 Ų | 147.9 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -113.6 | 124.9 | -155.5 | 166.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 81 | F | 39.8 | Very low | 40.1 | Very low | 212 Ų | 212 | 146.9 Ų | 146.9 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | trans | 68.9 | 139.7 | 179 | -78.7 | -118.9 | 0 | 0 | 0 | 117.2 | ||||
| 82 | G | 33 | Very low | 40.4 | Very low | 74 Ų | 74 | 145.4 Ų | 145.4 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | 157.8 | 71 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q84 | G82-Q84 PolarHBondContact O-N 3.02Å; G82-Q84 VanDerWaalsContact O-N 3.1Å | ||
| 83 | S | 45.2 | Very low | 41 | Very low | 124 Ų | 124 | 148.7 Ų | 148.7 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -64.2 | 109.4 | 174.5 | -177 | 0 | 0 | 0 | 0 | 111 | ||||
| 84 | Q | 37 | Very low | 41.5 | Very low | 188 Ų | 188 | 149 Ų | 149 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | -161.6 | 133.7 | 149.9 | -114.8 | 178.9 | 101.1 | 0 | 0 | 112 | G82 R86 | G82-Q84 PolarHBondContact O-N 3.02Å; G82-Q84 VanDerWaalsContact O-N 3.1Å; Q84-R86 PolarHBondContact O-N 3.41Å | ||
| 85 | R | 51.1 | Low | 41.7 | Very low | 233 Ų | 233 | 151 Ų | 151 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | -72.1 | 109.4 | 177.6 | -58.8 | -180 | -169.8 | -118.7 | 6.9 | 109.8 | ||||
| 86 | R | 44.8 | Very low | 42.2 | Very low | 241 Ų | 241 | 153.3 Ų | 153.3 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -84 | 122.5 | 150 | -77.7 | -171.5 | -175.5 | 163.1 | 4.2 | 108.2 | Q84 | Q84-R86 PolarHBondContact O-N 3.41Š|
| 87 | F | 34.9 | Very low | 42.4 | Very low | 183 Ų | 183 | 148.5 Ų | 148.5 | 80% | 0.803 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 146.6 | 164 | -73.9 | -101 | 0 | 0 | 0 | 109 | Q89 | F87-Q89 PolarHBondContact O-N 3.47Š|
| 88 | P | 47.3 | Very low | 43.4 | Very low | 123 Ų | 123 | 150.1 Ų | 150.1 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 125.5 | 167.5 | -14.3 | 27.5 | 0 | 0 | 0 | 108.2 | ||
| 89 | Q | 38.6 | Very low | 44.1 | Very low | 172 Ų | 172 | 153.9 Ų | 153.9 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 142.2 | 169.5 | -98.3 | -176.1 | -21.7 | 0 | 0 | 109.1 | F87 L91 | F87-Q89 PolarHBondContact O-N 3.47Å; Q89-L91 PolarHBondContact O-N 3.25Å |
| 90 | P | 47.7 | Very low | 45.4 | Very low | 111 Ų | 111 | 153.9 Ų | 153.9 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | trans | -62.3 | 106.6 | 169.1 | -16.1 | 29.7 | 0 | 0 | 0 | 108.5 | F92 | P90-F92 PolarHBondContact O-N 3.48Å; P90-F92 VanDerWaalsContact O-N 3.15Å | ||
| 91 | L | 51.3 | Low | 45.7 | Very low | 123 Ų | 123 | 151.3 Ų | 151.3 | 64% | 0.644 | 76% | 0.757 | S | S | * | * | trans | -64.8 | 113.5 | 167.2 | -65.1 | 174.9 | 0 | 0 | 0 | 106.8 | Q89 W93 | Q89-L91 PolarHBondContact O-N 3.25Å; L91-W93 HydrophobicContact CD1-CZ2 4.11Å; L91-W93 PolarHBondContact O-N 2.95Å | ||
| 92 | F | 37.6 | Very low | 46.7 | Very low | 170 Ų | 170 | 150.1 Ų | 150.1 | 75% | 0.746 | 75% | 0.754 | S | S | * | * | trans | -67.5 | 102.3 | 173.4 | -100.2 | -105.5 | 0 | 0 | 0 | 108.4 | P90 D94 | P90-F92 PolarHBondContact O-N 3.48Å; P90-F92 VanDerWaalsContact O-N 3.15Å; F92-D94 PolarHBondContact O-N 3.33Å | ||
| 93 | W | 45.6 | Very low | 47.8 | Very low | 176 Ų | 176 | 157.8 Ų | 157.8 | 67% | 0.667 | 76% | 0.76 | S | S | * | * | trans | -84.6 | 58.7 | -178.9 | -70.4 | 107 | 0 | 0 | 0 | 111 | L91 Y95 | L91-W93 HydrophobicContact CD1-CZ2 4.11Å; L91-W93 PolarHBondContact O-N 2.95Å; W93-Y95 HydrophobicContact CB-CD1 4.04Å; W93-Y95 HydrophobicContact CB-CE1 3.96Å; W93-Y95 AromaticContact CD2-CE1 3.97Å; W93-Y95 HydrophobicContact CD2-CE1 3.97Å; W93-Y95 AromaticContact CE3-CD1 3.81Å; W93-Y95 HydrophobicContact CE3-CD1 3.81Å; W93-Y95 AromaticContact CE3-CE1 3.32Å; W93-Y95 HydrophobicContact CE3-CE1 3.32Å; W93-Y95 HydrophobicContact CG-CE1 4.28Å; W93-Y95 HydrophobicContact CZ3-CE1 4.07Å; W93-Y95 PolarHBondContact O-N 3.22Å | ||
| 94 | D | 44 | Very low | 48.6 | Very low | 137 Ų | 137 | 156.7 Ų | 156.7 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | trans | -76.7 | 21.1 | -176.8 | -59.9 | -26.5 | 0 | 0 | 0 | 113.5 | F92 | F92-D94 PolarHBondContact O-N 3.33Š| ||
| 95 | Y | 40.8 | Very low | 50.1 | Low | 133 Ų | 133 | 151.6 Ų | 151.6 | 52% | 0.522 | 74% | 0.742 | S | S | . | * | S | Bend | trans | -85.4 | 121.5 | 168.8 | 79.2 | -58.2 | 0 | 0 | 0 | 109.4 | W93 L97 | W93-Y95 HydrophobicContact CB-CD1 4.04Å; W93-Y95 HydrophobicContact CB-CE1 3.96Å; W93-Y95 AromaticContact CD2-CE1 3.97Å; W93-Y95 HydrophobicContact CD2-CE1 3.97Å; W93-Y95 AromaticContact CE3-CD1 3.81Å; W93-Y95 HydrophobicContact CE3-CD1 3.81Å; W93-Y95 AromaticContact CE3-CE1 3.32Å; W93-Y95 HydrophobicContact CE3-CE1 3.32Å; W93-Y95 HydrophobicContact CG-CE1 4.28Å; W93-Y95 HydrophobicContact CZ3-CE1 4.07Å; W93-Y95 PolarHBondContact O-N 3.22Å; Y95-L97 VanDerWaalsContact C-N 3.27Å; Y95-L97 HydrophobicContact CD2-CD2 4.11Å; Y95-L97 HydrophobicContact CD2-CG 4.06Å; Y95-L97 HydrophobicContact CE1-CD1 4.07Å; Y95-L97 HydrophobicContact CE1-CG 3.99Å; Y95-L97 HydrophobicContact CE2-CD1 4.25Å; Y95-L97 HydrophobicContact CE2-CD2 3.32Å; Y95-L97 HydrophobicContact CE2-CG 3.52Å; Y95-L97 VanDerWaalsContact CZ-CG 3.49Å; Y95-L97 PolarHBondContact O-N 2.9Å |
| 96 | K | 48.9 | Very low | 51.3 | Low | 183 Ų | 183 | 142.9 Ų | 142.9 | 80% | 0.796 | 72% | 0.715 | S | S | * | * | trans | -67.8 | 86.3 | 176.6 | -174.2 | 178.7 | 176.1 | 178.5 | 0 | 110.1 | N98 | K96-N98 PolarHBondContact O-N 2.98Š| ||
| 97 | L | 49.2 | Very low | 53.1 | Low | 96 Ų | 96 | 135.5 Ų | 135.5 | 50% | 0.503 | 70% | 0.698 | S | S | . | * | trans | -58 | 102.4 | 167.5 | -85 | 173.5 | 0 | 0 | 0 | 109.5 | Y95 L99 | Y95-L97 VanDerWaalsContact C-N 3.27Å; Y95-L97 HydrophobicContact CD2-CD2 4.11Å; Y95-L97 HydrophobicContact CD2-CG 4.06Å; Y95-L97 HydrophobicContact CE1-CD1 4.07Å; Y95-L97 HydrophobicContact CE1-CG 3.99Å; Y95-L97 HydrophobicContact CE2-CD1 4.25Å; Y95-L97 HydrophobicContact CE2-CD2 3.32Å; Y95-L97 HydrophobicContact CE2-CG 3.52Å; Y95-L97 VanDerWaalsContact CZ-CG 3.49Å; Y95-L97 PolarHBondContact O-N 2.9Å; L97-L99 HydrophobicContact CB-CG 4.35Å; L97-L99 PolarHBondContact O-N 3.14Å | ||
| 98 | N | 51.9 | Low | 55.5 | Low | 117 Ų | 117 | 131.4 Ų | 131.4 | 63% | 0.626 | 68% | 0.684 | S | S | * | * | trans | -71.6 | 87.6 | 161.3 | -63.7 | -47.4 | 0 | 0 | 0 | 107.3 | K96 I100 | K96-N98 PolarHBondContact O-N 2.98Å; N98-I100 HydrophobicContact CB-CD1 4.09Å; N98-I100 HydrophobicContact CB-CG1 4.21Å; N98-I100 PolarHBondContact O-N 3.21Å | ||
| 99 | L | 54.5 | Low | 57.5 | Low | 157 Ų | 157 | 127.6 Ų | 127.6 | 82% | 0.822 | 66% | 0.655 | S | S | * | * | trans | -67.5 | 69.9 | 172.2 | -77.4 | 163.2 | 0 | 0 | 0 | 110 | L97 G101 | L97-L99 HydrophobicContact CB-CG 4.35Å; L97-L99 PolarHBondContact O-N 3.14Å; L99-G101 PolarHBondContact O-N 3.28Å | ||
| 100 | I | 63.8 | Low | 60 | Low | 159 Ų | 159 | 125.6 Ų | 125.6 | 82% | 0.815 | 64% | 0.644 | S | S | * | * | trans | -90 | 98.4 | 171.9 | -59.1 | 167.3 | 0 | 0 | 0 | 106.4 | N98 | N98-I100 HydrophobicContact CB-CD1 4.09Å; N98-I100 HydrophobicContact CB-CG1 4.21Å; N98-I100 PolarHBondContact O-N 3.21Å | ||
| 101 | G | 52.1 | Low | 62.1 | Low | 65 Ų | 65 | 120.3 Ų | 120.3 | 67% | 0.67 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -175.5 | 126.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110 | L99 R103 | L99-G101 PolarHBondContact O-N 3.28Å; G101-R103 PolarHBondContact O-N 3.23Å |
| 102 | E | 61.1 | Low | 64 | Low | 188 Ų | 188 | 116.7 Ų | 116.7 | 88% | 0.879 | 59% | 0.591 | S | S | * | * | trans | -53.7 | 133 | 163.4 | -174.4 | 177.1 | 162.9 | 0 | 0 | 108.3 | D104 | E102-D104 PolarHBondContact O-N 3.45Š| ||
| 103 | R | 57.2 | Low | 66.5 | Low | 235 Ų | 235 | 113.3 Ų | 113.3 | 89% | 0.887 | 58% | 0.576 | S | S | * | * | trans | -70.6 | 98.1 | 176.3 | -178.6 | -169.3 | -71.7 | -156.8 | -1.1 | 107.8 | G101 G105 | G101-R103 PolarHBondContact O-N 3.23Å; R103-G105 PolarHBondContact O-N 3.42Å | ||
| 104 | D | 60.4 | Low | 68.8 | Low | 101 Ų | 101 | 107.7 Ų | 107.7 | 54% | 0.54 | 56% | 0.563 | S | S | . | * | trans | -40.3 | 109.9 | 165 | -90.2 | -10.5 | 0 | 0 | 0 | 109.2 | E102 V106 R167 | E102-D104 PolarHBondContact O-N 3.45Å; D104-V106 PolarHBondContact O-N 3.5Å; D104-V106 VanDerWaalsContact O-N 3.1Å; D104-R167 IonicContact OD2-CZ 3.48Å; D104-R167 IonicContact OD2-NH1 3.42Å; D104-R167 PolarHBondContact OD2-NH1 3.1Å; D104-R167 VanDerWaalsContact OD2-NH1 3.14Å; D104-R167 IonicContact OD2-NH2 2.65Å; D104-R167 PolarHBondContact OD2-NH2 2.95Å | ||
| 105 | G | 68.8 | Low | 71.1 | Confident | 80 Ų | 80 | 103.6 Ų | 103.6 | 83% | 0.825 | 55% | 0.553 | S | S | * | * | trans | -68 | -3.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113.2 | R103 | R103-G105 PolarHBondContact O-N 3.42Š| ||
| 106 | V | 76.6 | Confident | 73.5 | Confident | 51 Ų | 51 | 102.5 Ų | 102.5 | 31% | 0.309 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -86.7 | 117.5 | -177.9 | -178.8 | 0 | 0 | 0 | 0 | 109.9 | D104 I108 R167 | D104-V106 PolarHBondContact O-N 3.5Å; D104-V106 VanDerWaalsContact O-N 3.1Å; V106-I108 PolarHBondContact O-N 2.84Å; V106-R167 HydrophobicContact CG1-CB 4.3Å |
| 107 | P | 81.8 | Confident | 75.5 | Confident | 85 Ų | 85 | 97.5 Ų | 97.5 | 55% | 0.552 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 136.5 | -179.1 | 25.2 | -34.2 | 0 | 0 | 0 | 111.5 | ||
| 108 | I | 86 | Confident | 77.6 | Confident | 97 Ų | 97 | 93.2 Ų | 93.2 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 127.3 | 171.8 | -61.3 | 172.5 | 0 | 0 | 0 | 107.7 | V106 P117 | V106-I108 PolarHBondContact O-N 2.84Å; I108-P117 HydrophobicContact CG2-CB 3.76Å |
| 109 | H | 88.9 | Confident | 79.4 | Confident | 44 Ų | 44 | 95.9 Ų | 95.9 | 20% | 0.204 | 53% | 0.528 | C | S | . | . | trans | -105.6 | 143.1 | 170.9 | -57.8 | -34.4 | 0 | 0 | 0 | 109.7 | I118 Y121 M172 | H109-I118 HydrophobicContact CB-CD1 4.34Å; H109-I118 WeakPolarHBondContact O-CG1 3.42Å; H109-I118 PolarHBondContact O-N 3.26Å; H109-Y121 HydrophobicContact CB-CE1 4.08Å; H109-Y121 WeakPolarHBondContact CB-OH 3.14Å; H109-Y121 AromaticContact CD2-CZ 3.83Å; H109-Y121 PolarHBondContact CD2-OH 2.94Å; H109-M172 HydrophobicContact CB-CE 4.4Å; H109-M172 VanDerWaalsContact CD2-CE 3.48Å; H109-M172 WeakPolarHBondContact CD2-CE 3.4Å | ||
| 110 | F | 91.3 | Very high | 81.3 | Confident | 129 Ų | 129 | 90.8 Ų | 90.8 | 57% | 0.566 | 50% | 0.501 | S | S | * | . | B | Isolated β-bridge | trans | -97 | 145.1 | 175.6 | -64 | -90.9 | 0 | 0 | 0 | 109.8 | G115 L116 P117 | F110-G115 WeakPolarHBondContact CD1-O 3.3Å; F110-L116 WeakPolarHBondContact CA-O 3.5Å; F110-P117 HydrophobicContact CD1-CB 4.22Å; F110-P117 HydrophobicContact CE1-CB 4.06Å |
| 111 | C | 93.1 | Very high | 82.7 | Confident | 1 Ų | 1 | 83.4 Ų | 83.4 | 1% | 0.007 | 46% | 0.463 | C | S | . | . | trans | -80.4 | 122.1 | 179.9 | -176.5 | 0 | 0 | 0 | 0 | 111.3 | K113 C114 G115 L116 I118 C132 C135 | C111-K113 PolarHBondContact O-N 3.26Å; C111-K113 PolarHBondContact SG-N 3.04Å; C111-C114 VanDerWaalsContact CB-SG 3.54Å; C111-C114 PolarHBondContact O-N 3.38Å; C111-G115 VanDerWaalsContact O-CA 3.3Å; C111-G115 WeakPolarHBondContact O-CA 3.47Å; C111-G115 PolarHBondContact O-N 2.87Å; C111-L116 PolarHBondContact N-O 3.5Å; C111-I118 HydrophobicContact CB-CD1 4.03Å; C111-I118 HydrophobicContact CB-CG1 3.71Å; C111-C132 HydrophobicContact CB-CB 3.93Å; C111-C132 PolarHBondContact SG-N 3.1Å; C111-C135 PolarHBondContact SG-SG 3.15Å | ||
| 112 | D | 90.3 | Very high | 84.8 | Confident | 46 Ų | 46 | 80.3 Ų | 80.3 | 25% | 0.246 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 4.6 | 179.5 | -37.4 | -86.6 | 0 | 0 | 0 | 114.2 | M152 Y153 K180 | D112-M152 HydrophobicContact CB-CE 3.91Å; D112-M152 HydrophobicContact CB-CG 4.45Å; D112-M152 VanDerWaalsContact O-CE 3.28Å; D112-M152 WeakPolarHBondContact O-CE 3.41Å; D112-Y153 PolarHBondContact OD1-OH 2.79Å; D112-Y153 VanDerWaalsContact OD1-OH 3.13Å; D112-Y153 PolarHBondContact OD2-OH 3.36Å; D112-K180 IonicContact OD1-NZ 3.24Å; D112-K180 PolarHBondContact OD1-NZ 2.99Å; D112-K180 IonicContact OD2-NZ 3.93Å |
| 113 | K | 90.7 | Very high | 86.4 | Confident | 100 Ų | 100 | 72.2 Ų | 72.2 | 44% | 0.435 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -40.6 | 173.2 | -79.7 | -77.9 | 168.8 | -70.6 | 0 | 113.5 | C111 F131 C135 P148 | C111-K113 PolarHBondContact O-N 3.26Å; C111-K113 PolarHBondContact SG-N 3.04Å; K113-F131 HydrophobicContact CG-CD1 4.15Å; K113-F131 HydrophobicContact CG-CE1 4.43Å; K113-C135 HydrophobicContact CB-CB 4.19Å; K113-P148 VanDerWaalsContact CE-O 3.26Å; K113-P148 WeakPolarHBondContact CE-O 3.48Å; K113-P148 PolarHBondContact NZ-O 3.02Å |
| 114 | C | 93.6 | Very high | 88.2 | Confident | 57 Ų | 57 | 61 Ų | 61 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120 | -5.6 | -176.2 | 61.3 | 0 | 0 | 0 | 0 | 114.1 | C111 L116 C135 | C111-C114 VanDerWaalsContact CB-SG 3.54Å; C111-C114 PolarHBondContact O-N 3.38Å; C114-L116 HydrophobicContact CB-CD1 4.5Å; C114-L116 HydrophobicContact CB-CG 4.31Å; C114-L116 PolarHBondContact O-N 3.48Å; C114-L116 VanDerWaalsContact O-N 3.15Å; C114-C135 PolarHBondContact SG-SG 3.13Å |
| 115 | G | 91.4 | Very high | 89.9 | Confident | 51 Ų | 51 | 57 Ų | 57 | 53% | 0.526 | 33% | 0.329 | S | S | . | . | trans | 73.3 | -8.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | F110 C111 | F110-G115 WeakPolarHBondContact CD1-O 3.3Å; C111-G115 VanDerWaalsContact O-CA 3.3Å; C111-G115 WeakPolarHBondContact O-CA 3.47Å; C111-G115 PolarHBondContact O-N 2.87Å | ||
| 116 | L | 92.3 | Very high | 91 | Very high | 111 Ų | 111 | 56.4 Ų | 56.4 | 58% | 0.581 | 31% | 0.31 | S | S | * | . | trans | -78.6 | 150.7 | -175 | -58.1 | 178.9 | 0 | 0 | 0 | 112.5 | F110 C111 C114 I118 | F110-L116 WeakPolarHBondContact CA-O 3.5Å; C111-L116 PolarHBondContact N-O 3.5Å; C114-L116 HydrophobicContact CB-CD1 4.5Å; C114-L116 HydrophobicContact CB-CG 4.31Å; C114-L116 PolarHBondContact O-N 3.48Å; C114-L116 VanDerWaalsContact O-N 3.15Å; L116-I118 PolarHBondContact O-N 3.5Å | ||
| 117 | P | 91.4 | Very high | 91.8 | Very high | 78 Ų | 78 | 54.4 Ų | 54.4 | 51% | 0.506 | 30% | 0.299 | S | S | . | . | B | Isolated β-bridge | trans | -62.3 | 134.6 | 172.7 | 27.4 | -35 | 0 | 0 | 0 | 110.6 | I108 F110 Q119 | I108-P117 HydrophobicContact CG2-CB 3.76Å; F110-P117 HydrophobicContact CD1-CB 4.22Å; F110-P117 HydrophobicContact CE1-CB 4.06Å; P117-Q119 PolarHBondContact O-N 3.36Å |
| 118 | I | 92.7 | Very high | 92.4 | Very high | 6 Ų | 6 | 54.3 Ų | 54.3 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | trans | -84.1 | 105.7 | -174.8 | -57.9 | 164.2 | 0 | 0 | 0 | 110.1 | H109 C111 L116 L120 Y121 C132 | H109-I118 HydrophobicContact CB-CD1 4.34Å; H109-I118 WeakPolarHBondContact O-CG1 3.42Å; H109-I118 PolarHBondContact O-N 3.26Å; C111-I118 HydrophobicContact CB-CD1 4.03Å; C111-I118 HydrophobicContact CB-CG1 3.71Å; L116-I118 PolarHBondContact O-N 3.5Å; I118-L120 VanDerWaalsContact CG2-C 3.44Å; I118-L120 WeakPolarHBondContact CG2-O 3.13Å; I118-Y121 HydrophobicContact CB-CD1 3.92Å; I118-Y121 HydrophobicContact CB-CE1 3.56Å; I118-Y121 HydrophobicContact CD1-CD1 3.88Å; I118-Y121 HydrophobicContact CD1-CE1 3.57Å; I118-Y121 HydrophobicContact CG1-CD1 4.47Å; I118-Y121 HydrophobicContact CG1-CE1 4.17Å; I118-Y121 HydrophobicContact CG2-CD1 3.26Å; I118-Y121 HydrophobicContact CG2-CE1 3.45Å; I118-Y121 VanDerWaalsContact CG2-CE1 3.45Å; I118-Y121 HydrophobicContact CG2-CG 3.88Å; I118-C132 HydrophobicContact CG1-CB 4.31Å | ||
| 119 | Q | 90 | Very high | 92.7 | Very high | 173 Ų | 173 | 50.1 Ų | 50.1 | 81% | 0.808 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -73.2 | -38.2 | 170.4 | -173.8 | 174.9 | 4.2 | 0 | 0 | 112 | P117 | P117-Q119 PolarHBondContact O-N 3.36Š|
| 120 | L | 93.3 | Very high | 93 | Very high | 49 Ų | 49 | 48.6 Ų | 48.6 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -136.9 | 126.7 | -177.9 | -175.3 | 70 | 0 | 0 | 0 | 110.2 | I118 Y133 Q164 | I118-L120 VanDerWaalsContact CG2-C 3.44Å; I118-L120 WeakPolarHBondContact CG2-O 3.13Å; L120-Y133 HydrophobicContact CD2-CD1 3.58Å; L120-Y133 HydrophobicContact CD2-CE1 4.32Å; L120-Y133 HydrophobicContact CD2-CG 3.72Å; L120-Y133 HydrophobicContact CG-CG 4.23Å; L120-Y133 PolarHBondContact O-N 2.92Å; L120-Q164 HydrophobicContact CD1-CG 3.75Å; L120-Q164 HydrophobicContact CD2-CG 3.95Å; L120-Q164 VanDerWaalsContact CD2-NE2 3.29Å; L120-Q164 HydrophobicContact CG-CG 4.01Å |
| 121 | Y | 94.6 | Very high | 93.1 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 2% | 0.02 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 123.9 | -175.1 | -67 | -68.3 | 0 | 0 | 0 | 111.1 | H109 I118 V130 C165 R167 L170 | H109-Y121 HydrophobicContact CB-CE1 4.08Å; H109-Y121 WeakPolarHBondContact CB-OH 3.14Å; H109-Y121 AromaticContact CD2-CZ 3.83Å; H109-Y121 PolarHBondContact CD2-OH 2.94Å; I118-Y121 HydrophobicContact CB-CD1 3.92Å; I118-Y121 HydrophobicContact CB-CE1 3.56Å; I118-Y121 HydrophobicContact CD1-CD1 3.88Å; I118-Y121 HydrophobicContact CD1-CE1 3.57Å; I118-Y121 HydrophobicContact CG1-CD1 4.47Å; I118-Y121 HydrophobicContact CG1-CE1 4.17Å; I118-Y121 HydrophobicContact CG2-CD1 3.26Å; I118-Y121 HydrophobicContact CG2-CE1 3.45Å; I118-Y121 VanDerWaalsContact CG2-CE1 3.45Å; I118-Y121 HydrophobicContact CG2-CG 3.88Å; Y121-V130 HydrophobicContact CD1-CG1 3.19Å; Y121-V130 HydrophobicContact CE1-CG1 4Å; Y121-V130 HydrophobicContact CG-CG1 3.84Å; Y121-C165 WeakPolarHBondContact CB-O 3.21Å; Y121-C165 PolarHBondContact N-O 3.02Å; Y121-C165 PolarHBondContact O-N 3.46Å; Y121-R167 HydrophobicContact CE2-CB 4.5Å; Y121-R167 HydrophobicContact CE2-CG 3.96Å; Y121-L170 HydrophobicContact CD2-CD1 4.05Å; Y121-L170 HydrophobicContact CG-CD1 3.93Å |
| 122 | G | 95.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 123.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | M124 V130 F131 | G122-M124 WeakPolarHBondContact O-CE 3.22Å; G122-V130 VanDerWaalsContact O-CA 3.3Å; G122-V130 WeakPolarHBondContact O-CA 3.42Å; G122-F131 PolarHBondContact N-O 3.11Å; G122-F131 PolarHBondContact O-N 3.24Å |
| 123 | R | 95.1 | Very high | 93.5 | Very high | 17 Ų | 17 | 43.7 Ų | 43.7 | 6% | 0.064 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 124.5 | -178.7 | -176.3 | 171.7 | -175.1 | -100.6 | 3.5 | 110.9 | I125 V130 I162 E163 T182 | R123-I125 HydrophobicContact CG-CD1 4.2Å; R123-I125 VanDerWaalsContact NH1-CD1 3.31Å; R123-V130 HydrophobicContact CB-CG2 3.87Å; R123-V130 HydrophobicContact CG-CG2 3.82Å; R123-I162 CarbonylContact O-C 3.6Å; R123-I162 WeakPolarHBondContact O-CA 3.24Å; R123-E163 HydrophobicContact CB-CB 4.3Å; R123-E163 WeakPolarHBondContact CB-O 3.48Å; R123-E163 PolarHBondContact N-O 3.27Å; R123-E163 IonicContact NH1-OE2 2.71Å; R123-E163 PolarHBondContact NH1-OE2 3.43Å; R123-E163 PolarHBondContact O-N 3.05Å; R123-T182 PolarHBondContact NE-OG1 3.42Å; R123-T182 PolarHBondContact NH2-O 3.3Å; R123-T182 VanDerWaalsContact NH2-O 3.09Å |
| 124 | M | 95.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 121.8 | -172.2 | -84.3 | 52.7 | 56.6 | 0 | 0 | 109.9 | G122 C127 K128 H129 F131 A136 V159 I162 | G122-M124 WeakPolarHBondContact O-CE 3.22Å; M124-C127 WeakPolarHBondContact CB-SG 3.48Å; M124-C127 PolarHBondContact O-N 3.13Å; M124-K128 PolarHBondContact O-N 2.05Å; M124-H129 WeakPolarHBondContact CE-O 3.34Å; M124-H129 PolarHBondContact N-O 3.36Å; M124-F131 HydrophobicContact CE-CB 4.27Å; M124-F131 HydrophobicContact CE-CD2 3.23Å; M124-F131 HydrophobicContact CE-CE2 3.78Å; M124-F131 HydrophobicContact CE-CG 4.07Å; M124-F131 HydrophobicContact SD-CD2 4.12Å; M124-A136 HydrophobicContact SD-CB 3.82Å; M124-V159 HydrophobicContact CB-CG1 4.27Å; M124-V159 HydrophobicContact CB-CG2 4.02Å; M124-V159 HydrophobicContact CG-CB 4.45Å; M124-V159 HydrophobicContact CG-CG1 3.9Å; M124-V159 HydrophobicContact CG-CG2 3.62Å; M124-I162 HydrophobicContact SD-CG1 4.24Å |
| 125 | I | 94.4 | Very high | 93.8 | Very high | 16 Ų | 16 | 42.2 Ų | 42.2 | 8% | 0.082 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 132 | -179.7 | -49.8 | -55.8 | 0 | 0 | 0 | 109.3 | R123 Q160 R161 E163 | R123-I125 HydrophobicContact CG-CD1 4.2Å; R123-I125 VanDerWaalsContact NH1-CD1 3.31Å; I125-Q160 PolarHBondContact O-N 3.23Å; I125-R161 HydrophobicContact CB-CG 3.79Å; I125-R161 HydrophobicContact CG1-CG 3.87Å; I125-R161 HydrophobicContact CG2-CG 4.38Å; I125-R161 PolarHBondContact N-O 3.45Å; I125-E163 HydrophobicContact CD1-CB 4.42Å; I125-E163 VanDerWaalsContact CD1-CD 3.46Å; I125-E163 HydrophobicContact CD1-CG 4.1Å; I125-E163 WeakPolarHBondContact CD1-OE2 3.47Å; I125-E163 HydrophobicContact CG1-CB 4.36Å; I125-E163 VanDerWaalsContact CG1-CD 3.49Å; I125-E163 HydrophobicContact CG1-CG 3.77Å |
| 126 | P | 93.6 | Very high | 94 | Very high | 67 Ų | 67 | 39.8 Ų | 39.8 | 44% | 0.435 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -92.7 | -2.5 | 7.7 | 36.6 | -33.3 | 0 | 0 | 0 | 114.9 | K128 Q158 | P126-K128 VanDerWaalsContact C-N 3.3Å; P126-K128 VanDerWaalsContact O-CG 3.26Å; P126-K128 WeakPolarHBondContact O-CG 3.3Å; P126-K128 PolarHBondContact O-N 3.08Å; P126-Q158 WeakPolarHBondContact CD-O 3.47Å |
| 127 | C | 92.6 | Very high | 94.1 | Very high | 10 Ų | 10 | 37.5 Ų | 37.5 | 7% | 0.068 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -14.9 | -163.6 | 77.4 | 0 | 0 | 0 | 0 | 116.1 | M124 H129 E157 | M124-C127 WeakPolarHBondContact CB-SG 3.48Å; M124-C127 PolarHBondContact O-N 3.13Å; C127-H129 PolarHBondContact O-N 3.08Å; C127-H129 PolarHBondContact SG-ND1 3.34Å; C127-H129 VanDerWaalsContact SG-ND1 3.37Å; C127-E157 HydrophobicContact CB-CB 3.46Å; C127-E157 VanDerWaalsContact CB-CB 3.46Å; C127-E157 HydrophobicContact CB-CG 3.79Å |
| 128 | K | 93.9 | Very high | 94.2 | Very high | 82 Ų | 82 | 39.4 Ų | 39.4 | 36% | 0.357 | 20% | 0.201 | S | C | . | . | trans | 65.6 | 13.5 | 176.1 | -42.7 | -171.4 | -178.9 | -176.6 | 0 | 115.6 | M124 P126 T182 Y183 | M124-K128 PolarHBondContact O-N 2.05Å; P126-K128 VanDerWaalsContact C-N 3.3Å; P126-K128 VanDerWaalsContact O-CG 3.26Å; P126-K128 WeakPolarHBondContact O-CG 3.3Å; P126-K128 PolarHBondContact O-N 3.08Å; K128-T182 PolarHBondContact O-N 2.96Å; K128-T182 PolarHBondContact O-OG1 3.4Å; K128-Y183 HydrophobicContact CD-CD1 4.36Å; K128-Y183 HydrophobicContact CD-CE1 3.86Å | ||
| 129 | H | 93.1 | Very high | 94.1 | Very high | 10 Ų | 10 | 40.2 Ų | 40.2 | 5% | 0.046 | 21% | 0.205 | C | C | . | . | trans | -73.4 | 160.7 | 164.6 | -62.6 | 100.2 | 0 | 0 | 0 | 110.3 | M124 C127 F131 Y153 C155 | M124-H129 WeakPolarHBondContact CE-O 3.34Å; M124-H129 PolarHBondContact N-O 3.36Å; C127-H129 PolarHBondContact O-N 3.08Å; C127-H129 PolarHBondContact SG-ND1 3.34Å; C127-H129 VanDerWaalsContact SG-ND1 3.37Å; H129-F131 HydrophobicContact CB-CE2 4.4Å; H129-Y153 AromaticContact CD2-CD2 3.48Å; H129-Y153 VanDerWaalsContact CD2-CD2 3.48Å; H129-Y153 WeakPolarHBondContact CD2-CD2 3.44Å; H129-Y153 AromaticContact CD2-CG 3.94Å; H129-Y153 AromaticContact NE2-CD2 3.97Å; H129-Y153 AromaticContact NE2-CG 3.97Å; H129-C155 PolarHBondContact CE1-SG 3.37Å; H129-C155 PolarHBondContact ND1-SG 2.85Å | ||
| 130 | V | 93.7 | Very high | 94.2 | Very high | 11 Ų | 11 | 36.2 Ų | 36.2 | 7% | 0.067 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 139.1 | -174.4 | 163.3 | 0 | 0 | 0 | 0 | 109.8 | Y121 G122 R123 L170 T182 | Y121-V130 HydrophobicContact CD1-CG1 3.19Å; Y121-V130 HydrophobicContact CE1-CG1 4Å; Y121-V130 HydrophobicContact CG-CG1 3.84Å; G122-V130 VanDerWaalsContact O-CA 3.3Å; G122-V130 WeakPolarHBondContact O-CA 3.42Å; R123-V130 HydrophobicContact CB-CG2 3.87Å; R123-V130 HydrophobicContact CG-CG2 3.82Å; V130-L170 HydrophobicContact CG1-CD1 4.4Å; V130-L170 HydrophobicContact CG2-CD1 3.96Å; V130-T182 HydrophobicContact CB-CG2 3.86Å; V130-T182 HydrophobicContact CG2-CG2 3.58Å; V130-T182 WeakPolarHBondContact CG2-OG1 3.35Å |
| 131 | F | 94.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 179.6 | 176.3 | -61.1 | -63.7 | 0 | 0 | 0 | 109.8 | K113 G122 M124 H129 C135 P148 Y153 | K113-F131 HydrophobicContact CG-CD1 4.15Å; K113-F131 HydrophobicContact CG-CE1 4.43Å; G122-F131 PolarHBondContact N-O 3.11Å; G122-F131 PolarHBondContact O-N 3.24Å; M124-F131 HydrophobicContact CE-CB 4.27Å; M124-F131 HydrophobicContact CE-CD2 3.23Å; M124-F131 HydrophobicContact CE-CE2 3.78Å; M124-F131 HydrophobicContact CE-CG 4.07Å; M124-F131 HydrophobicContact SD-CD2 4.12Å; H129-F131 HydrophobicContact CB-CE2 4.4Å; F131-C135 HydrophobicContact CB-CB 4.27Å; F131-P148 HydrophobicContact CD2-CB 3.95Å; F131-P148 HydrophobicContact CD2-CG 3.7Å; F131-P148 HydrophobicContact CE2-CB 3.54Å; F131-P148 HydrophobicContact CE2-CG 3.53Å; F131-P148 HydrophobicContact CZ-CB 4.04Å; F131-P148 HydrophobicContact CZ-CG 4.5Å; F131-Y153 HydrophobicContact CE1-CE2 4.11Å; F131-Y153 HydrophobicContact CZ-CE2 4.16Å |
| 132 | C | 95.6 | Very high | 94.1 | Very high | 16 Ų | 16 | 49.5 Ų | 49.5 | 11% | 0.108 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 140.4 | 164.1 | 98.4 | 0 | 0 | 0 | 0 | 109.7 | C111 I118 D134 C135 A136 | C111-C132 HydrophobicContact CB-CB 3.93Å; C111-C132 PolarHBondContact SG-N 3.1Å; I118-C132 HydrophobicContact CG1-CB 4.31Å; C132-D134 VanDerWaalsContact C-N 3.29Å; C132-D134 PolarHBondContact O-N 3.32Å; C132-C135 HydrophobicContact CB-CB 4.13Å; C132-C135 WeakPolarHBondContact CB-SG 3.49Å; C132-C135 VanDerWaalsContact O-CB 3.24Å; C132-C135 WeakPolarHBondContact O-CB 3.48Å; C132-C135 PolarHBondContact O-N 2.93Å; C132-C135 VanDerWaalsContact O-N 3.08Å; C132-C135 WeakPolarHBondContact SG-CB 3.26Å; C132-C135 PolarHBondContact SG-N 3.31Å; C132-C135 CovalentContact SG-SG 2.05Å; C132-C135 PolarHBondContact SG-SG 3.02Å; C132-A136 PolarHBondContact O-N 3.14Å |
| 133 | Y | 95.9 | Very high | 93.6 | Very high | 57 Ų | 57 | 51.6 Ų | 51.6 | 22% | 0.224 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.4 | -41.8 | -176.2 | -175.2 | -114.9 | 0 | 0 | 0 | 112 | L120 C135 A136 L137 I162 Q164 | L120-Y133 HydrophobicContact CD2-CD1 3.58Å; L120-Y133 HydrophobicContact CD2-CE1 4.32Å; L120-Y133 HydrophobicContact CD2-CG 3.72Å; L120-Y133 HydrophobicContact CG-CG 4.23Å; L120-Y133 PolarHBondContact O-N 2.92Å; Y133-C135 VanDerWaalsContact C-N 3.3Å; Y133-C135 PolarHBondContact O-N 3.39Å; Y133-A136 WeakPolarHBondContact O-CB 3.28Å; Y133-A136 PolarHBondContact O-N 2.61Å; Y133-A136 VanDerWaalsContact O-N 3.13Å; Y133-L137 HydrophobicContact CD1-CD1 3.91Å; Y133-L137 HydrophobicContact CD1-CG 4.39Å; Y133-L137 HydrophobicContact CE1-CD1 3.44Å; Y133-L137 VanDerWaalsContact CE1-CD1 3.44Å; Y133-L137 HydrophobicContact CE1-CG 4.08Å; Y133-L137 HydrophobicContact CE2-CD2 4.41Å; Y133-L137 HydrophobicContact CE2-CG 4.34Å; Y133-L137 PolarHBondContact O-N 3.38Å; Y133-I162 HydrophobicContact CD2-CG2 4.32Å; Y133-I162 HydrophobicContact CE2-CG2 4.17Å; Y133-Q164 HydrophobicContact CD2-CB 4.33Å; Y133-Q164 HydrophobicContact CD2-CG 4.32Å; Y133-Q164 HydrophobicContact CE2-CB 3.93Å; Y133-Q164 HydrophobicContact CE2-CG 4.23Å |
| 134 | D | 95.8 | Very high | 93.3 | Very high | 108 Ų | 108 | 54.4 Ų | 54.4 | 58% | 0.578 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.4 | -39.3 | 176.3 | -42.4 | -65.3 | 0 | 0 | 0 | 111.9 | C132 A136 L137 L138 | C132-D134 VanDerWaalsContact C-N 3.29Å; C132-D134 PolarHBondContact O-N 3.32Å; D134-A136 VanDerWaalsContact C-N 3.31Å; D134-A136 PolarHBondContact O-N 3.13Å; D134-L137 PolarHBondContact O-N 3.46Å; D134-L138 WeakPolarHBondContact O-CB 3.3Å; D134-L138 WeakPolarHBondContact O-CG 3.04Å; D134-L138 PolarHBondContact O-N 2.84Å |
| 135 | C | 95.4 | Very high | 92.9 | Very high | 18 Ų | 18 | 60.7 Ų | 60.7 | 12% | 0.122 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.9 | -38.2 | 177.3 | -53.2 | 0 | 0 | 0 | 0 | 111.5 | C111 K113 C114 F131 C132 Y133 H139 | C111-C135 PolarHBondContact SG-SG 3.15Å; K113-C135 HydrophobicContact CB-CB 4.19Å; C114-C135 PolarHBondContact SG-SG 3.13Å; F131-C135 HydrophobicContact CB-CB 4.27Å; C132-C135 HydrophobicContact CB-CB 4.13Å; C132-C135 WeakPolarHBondContact CB-SG 3.49Å; C132-C135 VanDerWaalsContact O-CB 3.24Å; C132-C135 WeakPolarHBondContact O-CB 3.48Å; C132-C135 PolarHBondContact O-N 2.93Å; C132-C135 VanDerWaalsContact O-N 3.08Å; C132-C135 WeakPolarHBondContact SG-CB 3.26Å; C132-C135 PolarHBondContact SG-N 3.31Å; C132-C135 CovalentContact SG-SG 2.05Å; C132-C135 PolarHBondContact SG-SG 3.02Å; Y133-C135 VanDerWaalsContact C-N 3.3Å; Y133-C135 PolarHBondContact O-N 3.39Å; C135-H139 WeakPolarHBondContact O-CB 3.48Å; C135-H139 PolarHBondContact O-N 2.85Å |
| 136 | A | 94.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.008 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -71.3 | -45.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | M124 C132 Y133 D134 H139 E140 I162 | M124-A136 HydrophobicContact SD-CB 3.82Å; C132-A136 PolarHBondContact O-N 3.14Å; Y133-A136 WeakPolarHBondContact O-CB 3.28Å; Y133-A136 PolarHBondContact O-N 2.61Å; Y133-A136 VanDerWaalsContact O-N 3.13Å; D134-A136 VanDerWaalsContact C-N 3.31Å; D134-A136 PolarHBondContact O-N 3.13Å; A136-H139 WeakPolarHBondContact O-CB 3.47Å; A136-H139 PolarHBondContact O-N 3.31Å; A136-E140 PolarHBondContact O-N 2.84Å; A136-I162 VanDerWaalsContact C-CD1 3.49Å; A136-I162 HydrophobicContact CB-CD1 3.77Å; A136-I162 HydrophobicContact CB-CG1 4.22Å; A136-I162 HydrophobicContact CB-CG2 3.87Å; A136-I162 VanDerWaalsContact O-CD1 3.25Å; A136-I162 WeakPolarHBondContact O-CD1 3.18Å |
| 137 | L | 94.3 | Very high | 92.7 | Very high | 62 Ų | 62 | 60 Ų | 60 | 33% | 0.325 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 176.5 | -71.3 | -177 | 0 | 0 | 0 | 112.9 | Y133 D134 H139 E140 K141 | Y133-L137 HydrophobicContact CD1-CD1 3.91Å; Y133-L137 HydrophobicContact CD1-CG 4.39Å; Y133-L137 HydrophobicContact CE1-CD1 3.44Å; Y133-L137 VanDerWaalsContact CE1-CD1 3.44Å; Y133-L137 HydrophobicContact CE1-CG 4.08Å; Y133-L137 HydrophobicContact CE2-CD2 4.41Å; Y133-L137 HydrophobicContact CE2-CG 4.34Å; Y133-L137 PolarHBondContact O-N 3.38Å; D134-L137 PolarHBondContact O-N 3.46Å; L137-H139 VanDerWaalsContact C-N 3.26Å; L137-H139 PolarHBondContact O-N 2.6Å; L137-E140 PolarHBondContact O-N 2.84Å; L137-K141 VanDerWaalsContact O-CB 3.3Å; L137-K141 WeakPolarHBondContact O-CB 3.19Å; L137-K141 PolarHBondContact O-N 2.99Å |
| 138 | L | 94.2 | Very high | 92.6 | Very high | 118 Ų | 118 | 60 Ų | 60 | 62% | 0.618 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -60.6 | -37.9 | 175.1 | -76.2 | 169.5 | 0 | 0 | 0 | 111.8 | D134 K142 | D134-L138 WeakPolarHBondContact O-CB 3.3Å; D134-L138 WeakPolarHBondContact O-CG 3.04Å; D134-L138 PolarHBondContact O-N 2.84Å; L138-K142 WeakPolarHBondContact O-CB 3.19Å; L138-K142 PolarHBondContact O-N 3.28Å |
| 139 | H | 90.9 | Very high | 92.1 | Very high | 24 Ų | 24 | 56 Ų | 56 | 11% | 0.111 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.5 | -42.1 | 176.9 | -172.4 | -75.9 | 0 | 0 | 0 | 112.2 | C135 A136 L137 K142 E144 M146 P148 | C135-H139 WeakPolarHBondContact O-CB 3.48Å; C135-H139 PolarHBondContact O-N 2.85Å; A136-H139 WeakPolarHBondContact O-CB 3.47Å; A136-H139 PolarHBondContact O-N 3.31Å; L137-H139 VanDerWaalsContact C-N 3.26Å; L137-H139 PolarHBondContact O-N 2.6Å; H139-K142 PolarHBondContact O-N 3Å; H139-E144 IonicContact CD2-OE2 2.87Å; H139-E144 PolarHBondContact CD2-OE2 2.65Å; H139-E144 VanDerWaalsContact CD2-OE2 3.28Å; H139-E144 WeakPolarHBondContact CE1-CB 3.49Å; H139-E144 PolarHBondContact CE1-O 3.42Å; H139-E144 IonicContact CG-OE2 3.74Å; H139-E144 PolarHBondContact ND1-O 3.47Å; H139-E144 VanDerWaalsContact ND1-O 3.07Å; H139-E144 IonicContact NE2-OE2 3.52Å; H139-E144 PolarHBondContact NE2-OE2 2.8Å; H139-E144 PolarHBondContact O-N 3.48Å; H139-M146 PolarHBondContact CE1-O 2.92Å; H139-P148 HydrophobicContact CB-CG 4.2Å; H139-P148 VanDerWaalsContact CD2-CG 3.48Å; H139-P148 WeakPolarHBondContact CD2-CG 3.42Å |
| 140 | E | 91.3 | Very high | 91.6 | Very high | 89 Ų | 89 | 58.5 Ų | 58.5 | 42% | 0.416 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 173.3 | -177.1 | 170 | -114.6 | 0 | 0 | 111.8 | A136 L137 K142 G143 I162 | A136-E140 PolarHBondContact O-N 2.84Å; L137-E140 PolarHBondContact O-N 2.84Å; E140-K142 VanDerWaalsContact C-N 3.27Å; E140-K142 PolarHBondContact O-N 3.22Å; E140-G143 WeakPolarHBondContact O-CA 3.37Å; E140-G143 PolarHBondContact O-N 3.35Å; E140-I162 HydrophobicContact CB-CD1 3.79Å; E140-I162 HydrophobicContact CG-CD1 4.49Å |
| 141 | K | 92.4 | Very high | 91 | Very high | 184 Ų | 184 | 65.4 Ų | 65.4 | 80% | 0.8 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.9 | -31.7 | 175.7 | -175.5 | 178 | 179.7 | -179.8 | 0 | 112.9 | L137 G143 | L137-K141 VanDerWaalsContact O-CB 3.3Å; L137-K141 WeakPolarHBondContact O-CB 3.19Å; L137-K141 PolarHBondContact O-N 2.99Å; K141-G143 PolarHBondContact O-N 3.35Å |
| 142 | K | 92.4 | Very high | 90.4 | Very high | 148 Ų | 148 | 70 Ų | 70 | 64% | 0.643 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -8.9 | 173.8 | -166 | 174.1 | 168.5 | -151.3 | 0 | 112.9 | L138 H139 E140 E144 | L138-K142 WeakPolarHBondContact O-CB 3.19Å; L138-K142 PolarHBondContact O-N 3.28Å; H139-K142 PolarHBondContact O-N 3Å; E140-K142 VanDerWaalsContact C-N 3.27Å; E140-K142 PolarHBondContact O-N 3.22Å; K142-E144 VanDerWaalsContact C-N 3.26Å; K142-E144 HydrophobicContact CB-CG 4.34Å; K142-E144 HydrophobicContact CD-CG 4.16Å; K142-E144 WeakPolarHBondContact CD-OE2 3.25Å; K142-E144 VanDerWaalsContact CE-OE1 3.25Å; K142-E144 WeakPolarHBondContact CE-OE1 3.23Å; K142-E144 HydrophobicContact CG-CG 4.1Å; K142-E144 VanDerWaalsContact NZ-CD 3.33Å; K142-E144 IonicContact NZ-OE1 2.78Å; K142-E144 PolarHBondContact NZ-OE1 2.95Å; K142-E144 IonicContact NZ-OE2 3.98Å; K142-E144 PolarHBondContact NZ-OE2 3.33Å; K142-E144 PolarHBondContact O-N 3.3Å |
| 143 | G | 86.9 | Confident | 89.7 | Confident | 44 Ų | 44 | 70.9 Ų | 70.9 | 45% | 0.454 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 4.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | E140 K141 K145 | E140-G143 WeakPolarHBondContact O-CA 3.37Å; E140-G143 PolarHBondContact O-N 3.35Å; K141-G143 PolarHBondContact O-N 3.35Å; G143-K145 PolarHBondContact O-N 2.71Å |
| 144 | E | 87.6 | Confident | 89.2 | Confident | 77 Ų | 77 | 75 Ų | 75 | 36% | 0.36 | 38% | 0.378 | S | S | . | . | trans | -73.1 | 108.9 | -179.1 | -68.2 | -179.1 | 150.1 | 0 | 0 | 109.9 | H139 K142 | H139-E144 IonicContact CD2-OE2 2.87Å; H139-E144 PolarHBondContact CD2-OE2 2.65Å; H139-E144 VanDerWaalsContact CD2-OE2 3.28Å; H139-E144 WeakPolarHBondContact CE1-CB 3.49Å; H139-E144 PolarHBondContact CE1-O 3.42Å; H139-E144 IonicContact CG-OE2 3.74Å; H139-E144 PolarHBondContact ND1-O 3.47Å; H139-E144 VanDerWaalsContact ND1-O 3.07Å; H139-E144 IonicContact NE2-OE2 3.52Å; H139-E144 PolarHBondContact NE2-OE2 2.8Å; H139-E144 PolarHBondContact O-N 3.48Å; K142-E144 VanDerWaalsContact C-N 3.26Å; K142-E144 HydrophobicContact CB-CG 4.34Å; K142-E144 HydrophobicContact CD-CG 4.16Å; K142-E144 WeakPolarHBondContact CD-OE2 3.25Å; K142-E144 VanDerWaalsContact CE-OE1 3.25Å; K142-E144 WeakPolarHBondContact CE-OE1 3.23Å; K142-E144 HydrophobicContact CG-CG 4.1Å; K142-E144 VanDerWaalsContact NZ-CD 3.33Å; K142-E144 IonicContact NZ-OE1 2.78Å; K142-E144 PolarHBondContact NZ-OE1 2.95Å; K142-E144 IonicContact NZ-OE2 3.98Å; K142-E144 PolarHBondContact NZ-OE2 3.33Å; K142-E144 PolarHBondContact O-N 3.3Å | ||
| 145 | K | 88.3 | Confident | 88.8 | Confident | 133 Ų | 133 | 70.2 Ų | 70.2 | 58% | 0.578 | 35% | 0.353 | S | S | * | . | trans | -84.1 | -6.9 | -178.5 | -58.3 | -58 | -179.2 | -178.3 | 0 | 114.5 | G143 Q158 V159 | G143-K145 PolarHBondContact O-N 2.71Å; K145-Q158 CarbonylContact O-C 3.42Å; K145-Q158 WeakPolarHBondContact O-CA 3.36Å; K145-Q158 WeakPolarHBondContact O-CB 3.43Å; K145-V159 PolarHBondContact O-N 3.04Å | ||
| 146 | M | 91.7 | Very high | 88.4 | Confident | 66 Ų | 66 | 74 Ų | 74 | 33% | 0.325 | 38% | 0.376 | S | S | . | . | B | Isolated β-bridge | trans | -85.6 | 162.2 | 178.8 | -62.1 | -62.6 | -74.1 | 0 | 0 | 110.9 | H139 L150 T156 Q158 | H139-M146 PolarHBondContact CE1-O 2.92Å; M146-L150 HydrophobicContact CE-CD1 4.28Å; M146-T156 WeakPolarHBondContact CE-O 3.43Å; M146-Q158 HydrophobicContact SD-CG 3.81Å |
| 147 | C | 91.8 | Very high | 88.2 | Confident | 1 Ų | 1 | 78.6 Ų | 78.6 | 1% | 0.007 | 40% | 0.397 | C | S | . | . | trans | -62.6 | 133.9 | 171.4 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | G149 L150 C155 E157 V159 | C147-G149 PolarHBondContact O-N 3.45Å; C147-G149 PolarHBondContact SG-N 2.9Å; C147-L150 WeakPolarHBondContact O-CB 3.49Å; C147-L150 PolarHBondContact O-N 3.27Å; C147-C155 HydrophobicContact CB-CB 4.04Å; C147-C155 WeakPolarHBondContact CB-SG 3.43Å; C147-C155 VanDerWaalsContact SG-SG 3.63Å; C147-E157 WeakPolarHBondContact CB-O 3.25Å; C147-E157 PolarHBondContact N-O 3.39Å; C147-V159 HydrophobicContact CB-CG2 4.44Å | ||
| 148 | P | 88.8 | Confident | 88.2 | Confident | 10 Ų | 10 | 82 Ų | 82 | 7% | 0.065 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -17.3 | 170.4 | -9.8 | 14.2 | 0 | 0 | 0 | 112.7 | K113 F131 H139 L150 | K113-P148 VanDerWaalsContact CE-O 3.26Å; K113-P148 WeakPolarHBondContact CE-O 3.48Å; K113-P148 PolarHBondContact NZ-O 3.02Å; F131-P148 HydrophobicContact CD2-CB 3.95Å; F131-P148 HydrophobicContact CD2-CG 3.7Å; F131-P148 HydrophobicContact CE2-CB 3.54Å; F131-P148 HydrophobicContact CE2-CG 3.53Å; F131-P148 HydrophobicContact CZ-CB 4.04Å; F131-P148 HydrophobicContact CZ-CG 4.5Å; H139-P148 HydrophobicContact CB-CG 4.2Å; H139-P148 VanDerWaalsContact CD2-CG 3.48Å; H139-P148 WeakPolarHBondContact CD2-CG 3.42Å; P148-L150 PolarHBondContact O-N 3.1Å |
| 149 | G | 84.1 | Confident | 88.2 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 5.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | C147 N151 M152 Y153 | C147-G149 PolarHBondContact O-N 3.45Å; C147-G149 PolarHBondContact SG-N 2.9Å; G149-N151 PolarHBondContact O-N 3.15Å; G149-M152 PolarHBondContact O-N 3.43Å; G149-Y153 WeakPolarHBondContact O-CA 3.06Å; G149-Y153 WeakPolarHBondContact O-CB 3.48Å; G149-Y153 PolarHBondContact O-N 3.33Å |
| 150 | L | 83.7 | Confident | 88.4 | Confident | 61 Ų | 61 | 83.3 Ų | 83.3 | 32% | 0.319 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -50.5 | -56.3 | -179.6 | -177 | 64 | 0 | 0 | 0 | 111.9 | M146 C147 P148 N154 C155 T156 | M146-L150 HydrophobicContact CE-CD1 4.28Å; C147-L150 WeakPolarHBondContact O-CB 3.49Å; C147-L150 PolarHBondContact O-N 3.27Å; P148-L150 PolarHBondContact O-N 3.1Å; L150-N154 WeakPolarHBondContact O-CA 3.41Å; L150-N154 PolarHBondContact O-N 3.47Å; L150-N154 VanDerWaalsContact O-N 3.12Å; L150-C155 WeakPolarHBondContact CA-O 3.18Å; L150-C155 WeakPolarHBondContact CD1-O 3.38Å; L150-C155 PolarHBondContact O-N 2.74Å; L150-T156 HydrophobicContact CD1-CG2 3.86Å |
| 151 | N | 79.9 | Confident | 88.5 | Confident | 156 Ų | 156 | 84.7 Ų | 84.7 | 83% | 0.834 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -78.5 | -20.1 | -177.8 | -62.7 | -6 | 0 | 0 | 0 | 114.1 | G149 | G149-N151 PolarHBondContact O-N 3.15Å |
| 152 | M | 82.1 | Confident | 88.7 | Confident | 98 Ų | 98 | 77.3 Ų | 77.3 | 48% | 0.483 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -96.2 | -33.7 | -173.6 | -162.9 | 77.8 | 69.8 | 0 | 0 | 112.6 | D112 G149 | D112-M152 HydrophobicContact CB-CE 3.91Å; D112-M152 HydrophobicContact CB-CG 4.45Å; D112-M152 VanDerWaalsContact O-CE 3.28Å; D112-M152 WeakPolarHBondContact O-CE 3.41Å; G149-M152 PolarHBondContact O-N 3.43Å |
| 153 | Y | 82.4 | Confident | 88.8 | Confident | 33 Ų | 33 | 73 Ų | 73 | 13% | 0.129 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -126.5 | 9.5 | -170.2 | -55.6 | -47.1 | 0 | 0 | 0 | 112.6 | D112 H129 F131 G149 C155 K180 | D112-Y153 PolarHBondContact OD1-OH 2.79Å; D112-Y153 VanDerWaalsContact OD1-OH 3.13Å; D112-Y153 PolarHBondContact OD2-OH 3.36Å; H129-Y153 AromaticContact CD2-CD2 3.48Å; H129-Y153 VanDerWaalsContact CD2-CD2 3.48Å; H129-Y153 WeakPolarHBondContact CD2-CD2 3.44Å; H129-Y153 AromaticContact CD2-CG 3.94Å; H129-Y153 AromaticContact NE2-CD2 3.97Å; H129-Y153 AromaticContact NE2-CG 3.97Å; F131-Y153 HydrophobicContact CE1-CE2 4.11Å; F131-Y153 HydrophobicContact CZ-CE2 4.16Å; G149-Y153 WeakPolarHBondContact O-CA 3.06Å; G149-Y153 WeakPolarHBondContact O-CB 3.48Å; G149-Y153 PolarHBondContact O-N 3.33Å; Y153-C155 PolarHBondContact O-N 2.89Å; Y153-C155 VanDerWaalsContact O-N 3.16Å; Y153-K180 HydrophobicContact CE1-CB 4.45Å; Y153-K180 HydrophobicContact CE1-CD 3.74Å; Y153-K180 WeakPolarHBondContact OH-CD 3.33Å; Y153-K180 PolarHBondContact OH-NZ 3.09Å; Y153-K180 VanDerWaalsContact OH-NZ 3.1Å |
| 154 | N | 83.8 | Confident | 89.2 | Confident | 143 Ų | 143 | 76.6 Ų | 76.6 | 77% | 0.765 | 37% | 0.373 | S | S | * | . | trans | 50.4 | 35.4 | -172.4 | -64.3 | -76.2 | 0 | 0 | 0 | 112.1 | L150 T156 | L150-N154 WeakPolarHBondContact O-CA 3.41Å; L150-N154 PolarHBondContact O-N 3.47Å; L150-N154 VanDerWaalsContact O-N 3.12Å; N154-T156 PolarHBondContact O-N 2.91Å | ||
| 155 | C | 87.4 | Confident | 89.5 | Confident | 8 Ų | 8 | 73.4 Ų | 73.4 | 5% | 0.054 | 36% | 0.36 | C | S | . | . | trans | -91.2 | 93.3 | -171 | -179.4 | 0 | 0 | 0 | 0 | 111.6 | H129 C147 L150 Y153 E157 | H129-C155 PolarHBondContact CE1-SG 3.37Å; H129-C155 PolarHBondContact ND1-SG 2.85Å; C147-C155 HydrophobicContact CB-CB 4.04Å; C147-C155 WeakPolarHBondContact CB-SG 3.43Å; C147-C155 VanDerWaalsContact SG-SG 3.63Å; L150-C155 WeakPolarHBondContact CA-O 3.18Å; L150-C155 WeakPolarHBondContact CD1-O 3.38Å; L150-C155 PolarHBondContact O-N 2.74Å; Y153-C155 PolarHBondContact O-N 2.89Å; Y153-C155 VanDerWaalsContact O-N 3.16Å; C155-E157 PolarHBondContact O-N 2.76Å | ||
| 156 | T | 88.2 | Confident | 89.5 | Confident | 97 Ų | 97 | 74 Ų | 74 | 60% | 0.595 | 36% | 0.364 | S | S | * | . | trans | -79.3 | 4.6 | 176.2 | 54.1 | 0 | 0 | 0 | 0 | 114.7 | M146 L150 N154 | M146-T156 WeakPolarHBondContact CE-O 3.43Å; L150-T156 HydrophobicContact CD1-CG2 3.86Å; N154-T156 PolarHBondContact O-N 2.91Å | ||
| 157 | E | 90.8 | Very high | 89.2 | Confident | 98 Ų | 98 | 74.9 Ų | 74.9 | 46% | 0.458 | 36% | 0.364 | S | S | . | . | trans | -70.3 | 138.6 | 178.7 | -59.8 | -64.4 | 115.7 | 0 | 0 | 111.9 | C127 C147 C155 | C127-E157 HydrophobicContact CB-CB 3.46Å; C127-E157 VanDerWaalsContact CB-CB 3.46Å; C127-E157 HydrophobicContact CB-CG 3.79Å; C147-E157 WeakPolarHBondContact CB-O 3.25Å; C147-E157 PolarHBondContact N-O 3.39Å; C155-E157 PolarHBondContact O-N 2.76Å | ||
| 158 | Q | 93.6 | Very high | 88.8 | Confident | 134 Ų | 134 | 77 Ų | 77 | 63% | 0.626 | 39% | 0.386 | S | S | * | . | B | Isolated β-bridge | trans | -78.1 | 141.2 | 172.9 | -67.2 | 179.2 | 10.6 | 0 | 0 | 111.4 | P126 K145 M146 | P126-Q158 WeakPolarHBondContact CD-O 3.47Å; K145-Q158 CarbonylContact O-C 3.42Å; K145-Q158 WeakPolarHBondContact O-CA 3.36Å; K145-Q158 WeakPolarHBondContact O-CB 3.43Å; M146-Q158 HydrophobicContact SD-CG 3.81Å |
| 159 | V | 94.4 | Very high | 88.8 | Confident | 21 Ų | 21 | 78.8 Ų | 78.8 | 13% | 0.127 | 40% | 0.398 | C | S | . | . | trans | -85.3 | 110.9 | 173.6 | -175.7 | 0 | 0 | 0 | 0 | 108.5 | M124 K145 C147 R161 I162 | M124-V159 HydrophobicContact CB-CG1 4.27Å; M124-V159 HydrophobicContact CB-CG2 4.02Å; M124-V159 HydrophobicContact CG-CB 4.45Å; M124-V159 HydrophobicContact CG-CG1 3.9Å; M124-V159 HydrophobicContact CG-CG2 3.62Å; K145-V159 PolarHBondContact O-N 3.04Å; C147-V159 HydrophobicContact CB-CG2 4.44Å; V159-R161 WeakPolarHBondContact CG1-O 3.46Å; V159-I162 HydrophobicContact CG1-CG1 4.13Å | ||
| 160 | Q | 94.5 | Very high | 89.1 | Confident | 149 Ų | 149 | 79.7 Ų | 79.7 | 70% | 0.696 | 40% | 0.403 | S | S | * | . | trans | -80.5 | -36.9 | 174.8 | -170.6 | -175.9 | 36.5 | 0 | 0 | 111.8 | I125 | I125-Q160 PolarHBondContact O-N 3.23Š| ||
| 161 | R | 94.3 | Very high | 89.5 | Confident | 117 Ų | 117 | 80.3 Ų | 80.3 | 44% | 0.442 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 162.2 | 176.5 | 64 | 174.3 | -175.4 | -87.6 | 3.4 | 111 | I125 V159 E163 | I125-R161 HydrophobicContact CB-CG 3.79Å; I125-R161 HydrophobicContact CG1-CG 3.87Å; I125-R161 HydrophobicContact CG2-CG 4.38Å; I125-R161 PolarHBondContact N-O 3.45Å; V159-R161 WeakPolarHBondContact CG1-O 3.46Å; R161-E163 IonicContact CZ-OE1 2.92Å; R161-E163 VanDerWaalsContact CZ-OE1 3.24Å; R161-E163 IonicContact NE-OE1 3.43Å; R161-E163 PolarHBondContact NE-OE1 2.97Å; R161-E163 IonicContact NH2-OE1 3.9Å; R161-E163 PolarHBondContact NH2-OE1 2.87Å |
| 162 | I | 95.3 | Very high | 90.1 | Very high | 30 Ų | 30 | 75.2 Ų | 75.2 | 15% | 0.154 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 120.1 | 171.4 | -60.8 | 160.5 | 0 | 0 | 0 | 108.8 | R123 M124 Y133 A136 E140 V159 | R123-I162 CarbonylContact O-C 3.6Å; R123-I162 WeakPolarHBondContact O-CA 3.24Å; M124-I162 HydrophobicContact SD-CG1 4.24Å; Y133-I162 HydrophobicContact CD2-CG2 4.32Å; Y133-I162 HydrophobicContact CE2-CG2 4.17Å; A136-I162 VanDerWaalsContact C-CD1 3.49Å; A136-I162 HydrophobicContact CB-CD1 3.77Å; A136-I162 HydrophobicContact CB-CG1 4.22Å; A136-I162 HydrophobicContact CB-CG2 3.87Å; A136-I162 VanDerWaalsContact O-CD1 3.25Å; A136-I162 WeakPolarHBondContact O-CD1 3.18Å; E140-I162 HydrophobicContact CB-CD1 3.79Å; E140-I162 HydrophobicContact CG-CD1 4.49Å; V159-I162 HydrophobicContact CG1-CG1 4.13Å |
| 163 | E | 95.6 | Very high | 90.6 | Very high | 56 Ų | 56 | 70.7 Ų | 70.7 | 26% | 0.262 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 128.6 | 171.8 | -76 | 172.8 | -175.7 | 0 | 0 | 109.9 | R123 I125 R161 | R123-E163 HydrophobicContact CB-CB 4.3Å; R123-E163 WeakPolarHBondContact CB-O 3.48Å; R123-E163 PolarHBondContact N-O 3.27Å; R123-E163 IonicContact NH1-OE2 2.71Å; R123-E163 PolarHBondContact NH1-OE2 3.43Å; R123-E163 PolarHBondContact O-N 3.05Å; I125-E163 HydrophobicContact CD1-CB 4.42Å; I125-E163 VanDerWaalsContact CD1-CD 3.46Å; I125-E163 HydrophobicContact CD1-CG 4.1Å; I125-E163 WeakPolarHBondContact CD1-OE2 3.47Å; I125-E163 HydrophobicContact CG1-CB 4.36Å; I125-E163 VanDerWaalsContact CG1-CD 3.49Å; I125-E163 HydrophobicContact CG1-CG 3.77Å; R161-E163 IonicContact CZ-OE1 2.92Å; R161-E163 VanDerWaalsContact CZ-OE1 3.24Å; R161-E163 IonicContact NE-OE1 3.43Å; R161-E163 PolarHBondContact NE-OE1 2.97Å; R161-E163 IonicContact NH2-OE1 3.9Å; R161-E163 PolarHBondContact NH2-OE1 2.87Å |
| 164 | Q | 95.4 | Very high | 90.9 | Very high | 120 Ų | 120 | 74 Ų | 74 | 56% | 0.561 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | 129.6 | 173.2 | -175.2 | -178.6 | -5.4 | 0 | 0 | 109.8 | L120 Y133 | L120-Q164 HydrophobicContact CD1-CG 3.75Å; L120-Q164 HydrophobicContact CD2-CG 3.95Å; L120-Q164 VanDerWaalsContact CD2-NE2 3.29Å; L120-Q164 HydrophobicContact CG-CG 4.01Å; Y133-Q164 HydrophobicContact CD2-CB 4.33Å; Y133-Q164 HydrophobicContact CD2-CG 4.32Å; Y133-Q164 HydrophobicContact CE2-CB 3.93Å; Y133-Q164 HydrophobicContact CE2-CG 4.23Å |
| 165 | C | 93 | Very high | 91.2 | Very high | 11 Ų | 11 | 72 Ų | 72 | 7% | 0.074 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 143.3 | -179.3 | -72 | 0 | 0 | 0 | 0 | 111 | Y121 L170 | Y121-C165 WeakPolarHBondContact CB-O 3.21Å; Y121-C165 PolarHBondContact N-O 3.02Å; Y121-C165 PolarHBondContact O-N 3.46Å; C165-L170 HydrophobicContact CB-CD1 3.57Å; C165-L170 HydrophobicContact CB-CD2 4.41Å; C165-L170 HydrophobicContact CB-CG 3.98Å |
| 166 | Q | 89.7 | Confident | 91.1 | Very high | 145 Ų | 145 | 74.8 Ų | 74.8 | 68% | 0.678 | 39% | 0.386 | S | S | * | . | trans | -87.1 | 164.2 | -179.6 | -64.8 | -173.4 | 4.8 | 0 | 0 | 111.6 | G168 S169 | Q166-G168 PolarHBondContact O-N 3.07Å; Q166-S169 PolarHBondContact N-OG 3.23Å; Q166-S169 PolarHBondContact O-N 3.13Å; Q166-S169 PolarHBondContact O-OG 3.09Å; Q166-S169 VanDerWaalsContact O-OG 3.11Å | ||
| 167 | R | 84.8 | Confident | 90.7 | Very high | 85 Ų | 85 | 76 Ų | 76 | 32% | 0.321 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 137.5 | 170 | -72.3 | 179.4 | 63.2 | -140.8 | -8.5 | 109.9 | D104 V106 Y121 S169 | D104-R167 IonicContact OD2-CZ 3.48Å; D104-R167 IonicContact OD2-NH1 3.42Å; D104-R167 PolarHBondContact OD2-NH1 3.1Å; D104-R167 VanDerWaalsContact OD2-NH1 3.14Å; D104-R167 IonicContact OD2-NH2 2.65Å; D104-R167 PolarHBondContact OD2-NH2 2.95Å; V106-R167 HydrophobicContact CG1-CB 4.3Å; Y121-R167 HydrophobicContact CE2-CB 4.5Å; Y121-R167 HydrophobicContact CE2-CG 3.96Å; R167-S169 VanDerWaalsContact C-N 3.3Å; R167-S169 PolarHBondContact O-N 3.32Å |
| 168 | G | 84.1 | Confident | 90.3 | Very high | 44 Ų | 44 | 73.6 Ų | 73.6 | 45% | 0.454 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | -12.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q166 L170 | Q166-G168 PolarHBondContact O-N 3.07Å; G168-L170 VanDerWaalsContact C-N 3.31Å; G168-L170 PolarHBondContact O-N 2.64Å |
| 169 | S | 87.5 | Confident | 90 | Very high | 48 Ų | 48 | 68.3 Ų | 68.3 | 34% | 0.336 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -87.7 | 6.5 | 179.2 | 83.6 | 0 | 0 | 0 | 0 | 114.5 | Q166 R167 | Q166-S169 PolarHBondContact N-OG 3.23Å; Q166-S169 PolarHBondContact O-N 3.13Å; Q166-S169 PolarHBondContact O-OG 3.09Å; Q166-S169 VanDerWaalsContact O-OG 3.11Å; R167-S169 VanDerWaalsContact C-N 3.3Å; R167-S169 PolarHBondContact O-N 3.32Å |
| 170 | L | 91.8 | Very high | 89.7 | Confident | 20 Ų | 20 | 70.8 Ų | 70.8 | 11% | 0.105 | 39% | 0.387 | C | S | . | . | trans | -135.1 | 131.1 | -174.1 | -70.6 | 173.2 | 0 | 0 | 0 | 111.4 | Y121 V130 C165 G168 Y183 L184 | Y121-L170 HydrophobicContact CD2-CD1 4.05Å; Y121-L170 HydrophobicContact CG-CD1 3.93Å; V130-L170 HydrophobicContact CG1-CD1 4.4Å; V130-L170 HydrophobicContact CG2-CD1 3.96Å; C165-L170 HydrophobicContact CB-CD1 3.57Å; C165-L170 HydrophobicContact CB-CD2 4.41Å; C165-L170 HydrophobicContact CB-CG 3.98Å; G168-L170 VanDerWaalsContact C-N 3.31Å; G168-L170 PolarHBondContact O-N 2.64Å; L170-Y183 WeakPolarHBondContact CA-O 3.38Å; L170-L184 HydrophobicContact CD2-CD2 3.94Å | ||
| 171 | F | 91.8 | Very high | 89.6 | Confident | 74 Ų | 74 | 68.1 Ų | 68.1 | 33% | 0.325 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 113 | 176.1 | -61.9 | -90.3 | 0 | 0 | 0 | 108.7 | T182 Y183 Q186 L189 | F171-T182 WeakPolarHBondContact O-CA 3.49Å; F171-Y183 PolarHBondContact N-O 2.98Å; F171-Y183 PolarHBondContact O-N 2.88Å; F171-Q186 HydrophobicContact CD1-CB 4.09Å; F171-Q186 HydrophobicContact CE1-CB 3.97Å; F171-Q186 HydrophobicContact CZ-CB 4.31Å; F171-L189 HydrophobicContact CB-CB 4.02Å; F171-L189 HydrophobicContact CB-CD2 3.8Å |
| 172 | M | 91.3 | Very high | 89.5 | Confident | 49 Ų | 49 | 62.6 Ų | 62.6 | 24% | 0.241 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 136.1 | -176.8 | -173.3 | -178.9 | -67 | 0 | 0 | 111.7 | H109 S174 K180 T182 | H109-M172 HydrophobicContact CB-CE 4.4Å; H109-M172 VanDerWaalsContact CD2-CE 3.48Å; H109-M172 WeakPolarHBondContact CD2-CE 3.4Å; M172-S174 PolarHBondContact O-N 3.07Å; M172-K180 HydrophobicContact SD-CB 4.25Å; M172-K180 HydrophobicContact SD-CG 4.1Å; M172-T182 HydrophobicContact CB-CG2 4.34Å; M172-T182 HydrophobicContact CE-CG2 4.09Å; M172-T182 HydrophobicContact CG-CG2 4.27Å |
| 173 | C | 92.3 | Very high | 89.5 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.014 | 35% | 0.346 | C | S | . | . | trans | -76.2 | 119.8 | 174.5 | -168.7 | 0 | 0 | 0 | 0 | 112.6 | K180 R181 L189 H192 H197 | C173-K180 WeakPolarHBondContact O-CA 3.39Å; C173-K180 PolarHBondContact O-N 3.25Å; C173-K180 VanDerWaalsContact O-N 3.15Å; C173-R181 PolarHBondContact N-O 3.2Å; C173-L189 HydrophobicContact CB-CD1 3.59Å; C173-H192 WeakPolarHBondContact CB-NE2 3.41Å; C173-H192 PolarHBondContact SG-NE2 2.88Å; C173-H192 VanDerWaalsContact SG-NE2 3.42Å; C173-H197 VanDerWaalsContact SG-CD2 3.6Å; C173-H197 PolarHBondContact SG-NE2 3.09Å | ||
| 174 | S | 89.7 | Confident | 89.4 | Confident | 104 Ų | 104 | 64.1 Ų | 64.1 | 73% | 0.727 | 36% | 0.358 | S | S | * | . | trans | -111 | -1.4 | 177.3 | 54.2 | 0 | 0 | 0 | 0 | 114.4 | M172 V176 | M172-S174 PolarHBondContact O-N 3.07Å; S174-V176 PolarHBondContact O-N 3.17Å | ||
| 175 | I | 89.3 | Confident | 89.3 | Confident | 99 Ų | 99 | 60.1 Ų | 60.1 | 51% | 0.508 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -63.2 | -37.7 | -171.1 | -58 | -59.4 | 0 | 0 | 0 | 113.2 | V193 H197 | I175-V193 HydrophobicContact CD1-CG1 4.46Å; I175-V193 HydrophobicContact CG1-CB 4.42Å; I175-V193 HydrophobicContact CG1-CG1 3.89Å; I175-V193 HydrophobicContact CG1-CG2 3.62Å; I175-H197 HydrophobicContact CG2-CB 3.8Å |
| 176 | V | 86.4 | Confident | 89.3 | Confident | 67 Ų | 67 | 64.3 Ų | 64.3 | 41% | 0.406 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -119.4 | 132 | 174.2 | 172.8 | 0 | 0 | 0 | 0 | 108.8 | S174 G178 C179 H197 | S174-V176 PolarHBondContact O-N 3.17Å; V176-G178 PolarHBondContact O-N 2.81Å; V176-G178 VanDerWaalsContact O-N 3.09Å; V176-C179 HydrophobicContact CB-CB 4.39Å; V176-C179 WeakPolarHBondContact O-CB 3.17Å; V176-C179 PolarHBondContact O-N 3.03Å; V176-H197 VanDerWaalsContact CG2-ND1 3.34Å; V176-H197 WeakPolarHBondContact CG2-ND1 3.49Å |
| 177 | S | 79.2 | Confident | 89.6 | Confident | 123 Ų | 123 | 67.3 Ų | 67.3 | 86% | 0.86 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 114 | 172.9 | 51.1 | 0 | 0 | 0 | 0 | 110.3 | ||
| 178 | G | 81.8 | Confident | 90 | Very high | 48 Ų | 48 | 66.9 Ų | 66.9 | 50% | 0.495 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.6 | -1.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | V176 | V176-G178 PolarHBondContact O-N 2.81Å; V176-G178 VanDerWaalsContact O-N 3.09Å |
| 179 | C | 87.9 | Confident | 90.5 | Very high | 22 Ų | 22 | 65.7 Ų | 65.7 | 15% | 0.149 | 35% | 0.354 | C | S | . | . | trans | -69.3 | -54.5 | 177.5 | -170.1 | 0 | 0 | 0 | 0 | 112.7 | V176 R181 H192 H197 | V176-C179 HydrophobicContact CB-CB 4.39Å; V176-C179 WeakPolarHBondContact O-CB 3.17Å; V176-C179 PolarHBondContact O-N 3.03Å; C179-R181 PolarHBondContact O-N 2.77Å; C179-H192 VanDerWaalsContact SG-CE1 3.59Å; C179-H192 PolarHBondContact SG-NE2 2.96Å; C179-H197 PolarHBondContact SG-NE2 3.36Å; C179-H197 VanDerWaalsContact SG-NE2 3.4Å | ||
| 180 | K | 88.7 | Confident | 90.9 | Very high | 74 Ų | 74 | 67.5 Ų | 67.5 | 32% | 0.322 | 36% | 0.357 | S | S | . | . | trans | 47 | 14.8 | 171.3 | -71.4 | -177.9 | 174.7 | 177.1 | 0 | 117.5 | D112 Y153 M172 C173 | D112-K180 IonicContact OD1-NZ 3.24Å; D112-K180 PolarHBondContact OD1-NZ 2.99Å; D112-K180 IonicContact OD2-NZ 3.93Å; Y153-K180 HydrophobicContact CE1-CB 4.45Å; Y153-K180 HydrophobicContact CE1-CD 3.74Å; Y153-K180 WeakPolarHBondContact OH-CD 3.33Å; Y153-K180 PolarHBondContact OH-NZ 3.09Å; Y153-K180 VanDerWaalsContact OH-NZ 3.1Å; M172-K180 HydrophobicContact SD-CB 4.25Å; M172-K180 HydrophobicContact SD-CG 4.1Å; C173-K180 WeakPolarHBondContact O-CA 3.39Å; C173-K180 PolarHBondContact O-N 3.25Å; C173-K180 VanDerWaalsContact O-N 3.15Å | ||
| 181 | R | 91.4 | Very high | 91.1 | Very high | 93 Ų | 93 | 68.4 Ų | 68.4 | 35% | 0.351 | 37% | 0.368 | S | S | . | . | trans | -66.9 | 139.1 | 178.4 | -75.3 | -175.3 | 172.3 | -171.4 | -3.9 | 110.9 | C173 C179 Y183 | C173-R181 PolarHBondContact N-O 3.2Å; C179-R181 PolarHBondContact O-N 2.77Å; R181-Y183 HydrophobicContact CB-CE2 3.6Å | ||
| 182 | T | 93.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 141 | -175.4 | 69 | 0 | 0 | 0 | 0 | 113.8 | R123 K128 V130 F171 M172 | R123-T182 PolarHBondContact NE-OG1 3.42Å; R123-T182 PolarHBondContact NH2-O 3.3Å; R123-T182 VanDerWaalsContact NH2-O 3.09Å; K128-T182 PolarHBondContact O-N 2.96Å; K128-T182 PolarHBondContact O-OG1 3.4Å; V130-T182 HydrophobicContact CB-CG2 3.86Å; V130-T182 HydrophobicContact CG2-CG2 3.58Å; V130-T182 WeakPolarHBondContact CG2-OG1 3.35Å; F171-T182 WeakPolarHBondContact O-CA 3.49Å; M172-T182 HydrophobicContact CB-CG2 4.34Å; M172-T182 HydrophobicContact CE-CG2 4.09Å; M172-T182 HydrophobicContact CG-CG2 4.27Å |
| 183 | Y | 94.7 | Very high | 91.3 | Very high | 18 Ų | 18 | 63.7 Ų | 63.7 | 7% | 0.071 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 149.5 | -173.4 | -64.9 | -83.4 | 0 | 0 | 0 | 110.7 | K128 L170 F171 R181 S185 D188 L189 H192 | K128-Y183 HydrophobicContact CD-CD1 4.36Å; K128-Y183 HydrophobicContact CD-CE1 3.86Å; L170-Y183 WeakPolarHBondContact CA-O 3.38Å; F171-Y183 PolarHBondContact N-O 2.98Å; F171-Y183 PolarHBondContact O-N 2.88Å; R181-Y183 HydrophobicContact CB-CE2 3.6Å; Y183-S185 VanDerWaalsContact C-N 3.3Å; Y183-D188 HydrophobicContact CD1-CB 3.7Å; Y183-D188 HydrophobicContact CG-CB 4.06Å; Y183-L189 HydrophobicContact CD2-CB 4.19Å; Y183-L189 HydrophobicContact CD2-CD1 4.03Å; Y183-L189 HydrophobicContact CE2-CD1 4.45Å; Y183-L189 HydrophobicContact CG-CB 4.4Å; Y183-H192 HydrophobicContact CD2-CB 4.47Å; Y183-H192 HydrophobicContact CE1-CB 4.03Å; Y183-H192 HydrophobicContact CE2-CB 3.69Å; Y183-H192 AromaticContact CE2-CD2 3.33Å; Y183-H192 WeakPolarHBondContact CE2-CD2 3.26Å; Y183-H192 AromaticContact CE2-CG 3.56Å; Y183-H192 VanDerWaalsContact CZ-CB 3.42Å; Y183-H192 AromaticContact CZ-CD2 3.78Å; Y183-H192 AromaticContact CZ-CG 3.5Å; Y183-H192 WeakPolarHBondContact OH-CB 3.49Å; Y183-H192 PolarHBondContact OH-ND1 3.28Å |
| 184 | L | 92.8 | Very high | 91.4 | Very high | 100 Ų | 100 | 66.8 Ų | 66.8 | 52% | 0.524 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -80.9 | -12.9 | -177.3 | -63.7 | 171.4 | 0 | 0 | 0 | 112.5 | L170 | L170-L184 HydrophobicContact CD2-CD2 3.94Š|
| 185 | S | 92.6 | Very high | 91.6 | Very high | 36 Ų | 36 | 67.3 Ų | 67.3 | 25% | 0.252 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -140.7 | 153.5 | 177.3 | 77.4 | 0 | 0 | 0 | 0 | 111.8 | Y183 R187 D188 L189 | Y183-S185 VanDerWaalsContact C-N 3.3Å; S185-R187 PolarHBondContact O-N 3.44Å; S185-R187 PolarHBondContact OG-N 2.91Å; S185-D188 PolarHBondContact O-N 2.76Å; S185-D188 PolarHBondContact OG-N 3.16Å; S185-D188 PolarHBondContact OG-OD2 2.79Å; S185-L189 PolarHBondContact O-N 3.12Å; S185-L189 VanDerWaalsContact O-N 3.13Å |
| 186 | Q | 93.4 | Very high | 91.7 | Very high | 98 Ų | 98 | 70.4 Ų | 70.4 | 46% | 0.458 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.1 | -31.4 | 171.1 | -175.7 | 61.3 | 18.7 | 0 | 0 | 111.8 | F171 L189 Q190 | F171-Q186 HydrophobicContact CD1-CB 4.09Å; F171-Q186 HydrophobicContact CE1-CB 3.97Å; F171-Q186 HydrophobicContact CZ-CB 4.31Å; Q186-L189 PolarHBondContact O-N 3.27Å; Q186-Q190 WeakPolarHBondContact O-CB 3.45Å; Q186-Q190 PolarHBondContact O-N 3.41Å |
| 187 | R | 95.9 | Very high | 91.8 | Very high | 209 Ų | 209 | 68.5 Ų | 68.5 | 79% | 0.789 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.5 | -47.5 | 175.4 | 179.7 | -173.5 | -69.6 | -158.3 | -0.8 | 111.3 | S185 Q190 A191 | S185-R187 PolarHBondContact O-N 3.44Å; S185-R187 PolarHBondContact OG-N 2.91Å; R187-Q190 PolarHBondContact O-N 3.47Å; R187-A191 WeakPolarHBondContact O-CB 3.37Å; R187-A191 PolarHBondContact O-N 3.39Å |
| 188 | D | 94.7 | Very high | 92.1 | Very high | 75 Ų | 75 | 67.3 Ų | 67.3 | 40% | 0.401 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.7 | -38.7 | -179.7 | -64.7 | -47.7 | 0 | 0 | 0 | 111.9 | Y183 S185 A191 H192 | Y183-D188 HydrophobicContact CD1-CB 3.7Å; Y183-D188 HydrophobicContact CG-CB 4.06Å; S185-D188 PolarHBondContact O-N 2.76Å; S185-D188 PolarHBondContact OG-N 3.16Å; S185-D188 PolarHBondContact OG-OD2 2.79Å; D188-A191 PolarHBondContact O-N 3.31Å; D188-H192 WeakPolarHBondContact O-CB 3.45Å; D188-H192 PolarHBondContact O-N 3.35Å |
| 189 | L | 94.3 | Very high | 91.5 | Very high | 19 Ų | 19 | 73.7 Ų | 73.7 | 10% | 0.099 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.4 | -48.7 | 171.5 | 173.3 | 58.1 | 0 | 0 | 0 | 110.5 | F171 C173 Y183 S185 Q186 A191 H192 V193 | F171-L189 HydrophobicContact CB-CB 4.02Å; F171-L189 HydrophobicContact CB-CD2 3.8Å; C173-L189 HydrophobicContact CB-CD1 3.59Å; Y183-L189 HydrophobicContact CD2-CB 4.19Å; Y183-L189 HydrophobicContact CD2-CD1 4.03Å; Y183-L189 HydrophobicContact CE2-CD1 4.45Å; Y183-L189 HydrophobicContact CG-CB 4.4Å; S185-L189 PolarHBondContact O-N 3.12Å; S185-L189 VanDerWaalsContact O-N 3.13Å; Q186-L189 PolarHBondContact O-N 3.27Å; L189-A191 VanDerWaalsContact C-N 3.35Å; L189-A191 PolarHBondContact O-N 3.37Å; L189-H192 WeakPolarHBondContact O-CB 3.38Å; L189-H192 PolarHBondContact O-N 3.42Å; L189-H192 VanDerWaalsContact O-N 3.16Å; L189-V193 HydrophobicContact CD1-CG2 4.08Å; L189-V193 HydrophobicContact CG-CG2 4.49Å; L189-V193 WeakPolarHBondContact O-CG2 3.46Å; L189-V193 PolarHBondContact O-N 2.88Å |
| 190 | Q | 95.1 | Very high | 90.1 | Very high | 86 Ų | 86 | 75.6 Ų | 75.6 | 40% | 0.402 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 179.2 | -169.2 | 63 | 52.7 | 0 | 0 | 112.1 | Q186 R187 H192 V193 N194 | Q186-Q190 WeakPolarHBondContact O-CB 3.45Å; Q186-Q190 PolarHBondContact O-N 3.41Å; R187-Q190 PolarHBondContact O-N 3.47Å; Q190-H192 VanDerWaalsContact C-N 3.33Å; Q190-H192 PolarHBondContact O-N 3.31Å; Q190-V193 PolarHBondContact O-N 2.89Å; Q190-N194 PolarHBondContact NE2-OD1 3.16Å; Q190-N194 WeakPolarHBondContact O-CB 3.19Å; Q190-N194 PolarHBondContact O-N 3.45Å; Q190-N194 PolarHBondContact O-OD1 2.89Å |
| 191 | A | 95.7 | Very high | 88.6 | Confident | 40 Ų | 40 | 75.5 Ų | 75.5 | 33% | 0.331 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R187 D188 L189 N194 H195 | R187-A191 WeakPolarHBondContact O-CB 3.37Å; R187-A191 PolarHBondContact O-N 3.39Å; D188-A191 PolarHBondContact O-N 3.31Å; L189-A191 VanDerWaalsContact C-N 3.35Å; L189-A191 PolarHBondContact O-N 3.37Å; A191-N194 PolarHBondContact O-N 2.96Å; A191-H195 VanDerWaalsContact O-CB 3.28Å; A191-H195 WeakPolarHBondContact O-CB 3.4Å; A191-H195 PolarHBondContact O-CD2 3.31Å; A191-H195 PolarHBondContact O-N 3.32Å |
| 192 | H | 94.4 | Very high | 86.6 | Confident | 11 Ų | 11 | 79.3 Ų | 79.3 | 5% | 0.051 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 173.8 | 161.7 | 51.5 | 0 | 0 | 0 | 112.8 | C173 C179 Y183 D188 L189 Q190 N194 H195 R196 H197 | C173-H192 WeakPolarHBondContact CB-NE2 3.41Å; C173-H192 PolarHBondContact SG-NE2 2.88Å; C173-H192 VanDerWaalsContact SG-NE2 3.42Å; C179-H192 VanDerWaalsContact SG-CE1 3.59Å; C179-H192 PolarHBondContact SG-NE2 2.96Å; Y183-H192 HydrophobicContact CD2-CB 4.47Å; Y183-H192 HydrophobicContact CE1-CB 4.03Å; Y183-H192 HydrophobicContact CE2-CB 3.69Å; Y183-H192 AromaticContact CE2-CD2 3.33Å; Y183-H192 WeakPolarHBondContact CE2-CD2 3.26Å; Y183-H192 AromaticContact CE2-CG 3.56Å; Y183-H192 VanDerWaalsContact CZ-CB 3.42Å; Y183-H192 AromaticContact CZ-CD2 3.78Å; Y183-H192 AromaticContact CZ-CG 3.5Å; Y183-H192 WeakPolarHBondContact OH-CB 3.49Å; Y183-H192 PolarHBondContact OH-ND1 3.28Å; D188-H192 WeakPolarHBondContact O-CB 3.45Å; D188-H192 PolarHBondContact O-N 3.35Å; L189-H192 WeakPolarHBondContact O-CB 3.38Å; L189-H192 PolarHBondContact O-N 3.42Å; L189-H192 VanDerWaalsContact O-N 3.16Å; Q190-H192 VanDerWaalsContact C-N 3.33Å; Q190-H192 PolarHBondContact O-N 3.31Å; H192-N194 VanDerWaalsContact C-N 3.35Å; H192-N194 PolarHBondContact O-N 3.37Å; H192-H195 PolarHBondContact O-N 2.91Å; H192-R196 WeakPolarHBondContact O-CB 3.34Å; H192-R196 PolarHBondContact O-N 3.25Å; H192-H197 AromaticContact CE1-NE2 3.71Å; H192-H197 AromaticContact NE2-NE2 3.52Å |
| 193 | V | 94.4 | Very high | 84.4 | Confident | 12 Ų | 12 | 84.1 Ų | 84.1 | 7% | 0.073 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -57.9 | -48.6 | 176.6 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | I175 L189 Q190 H195 H197 M198 | I175-V193 HydrophobicContact CD1-CG1 4.46Å; I175-V193 HydrophobicContact CG1-CB 4.42Å; I175-V193 HydrophobicContact CG1-CG1 3.89Å; I175-V193 HydrophobicContact CG1-CG2 3.62Å; L189-V193 HydrophobicContact CD1-CG2 4.08Å; L189-V193 HydrophobicContact CG-CG2 4.49Å; L189-V193 WeakPolarHBondContact O-CG2 3.46Å; L189-V193 PolarHBondContact O-N 2.88Å; Q190-V193 PolarHBondContact O-N 2.89Å; V193-H195 VanDerWaalsContact C-N 3.32Å; V193-H195 PolarHBondContact O-N 2.9Å; V193-H197 WeakPolarHBondContact O-CA 3.16Å; V193-H197 WeakPolarHBondContact O-CB 3.1Å; V193-H197 PolarHBondContact O-N 2.77Å; V193-M198 HydrophobicContact CG1-CG 4.13Å; V193-M198 PolarHBondContact O-N 3.32Å |
| 194 | N | 94.3 | Very high | 82 | Confident | 68 Ų | 68 | 88 Ų | 88 | 36% | 0.364 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 179 | -69.1 | -4.2 | 0 | 0 | 0 | 112.1 | Q190 A191 H192 | Q190-N194 PolarHBondContact NE2-OD1 3.16Å; Q190-N194 WeakPolarHBondContact O-CB 3.19Å; Q190-N194 PolarHBondContact O-N 3.45Å; Q190-N194 PolarHBondContact O-OD1 2.89Å; A191-N194 PolarHBondContact O-N 2.96Å; H192-N194 VanDerWaalsContact C-N 3.35Å; H192-N194 PolarHBondContact O-N 3.37Å |
| 195 | H | 92.1 | Very high | 79.5 | Confident | 114 Ų | 114 | 94.1 Ų | 94.1 | 53% | 0.528 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -83.6 | -29.2 | -174 | -71.2 | -153.1 | 0 | 0 | 0 | 113.4 | A191 H192 V193 | A191-H195 VanDerWaalsContact O-CB 3.28Å; A191-H195 WeakPolarHBondContact O-CB 3.4Å; A191-H195 PolarHBondContact O-CD2 3.31Å; A191-H195 PolarHBondContact O-N 3.32Å; H192-H195 PolarHBondContact O-N 2.91Å; V193-H195 VanDerWaalsContact C-N 3.32Å; V193-H195 PolarHBondContact O-N 2.9Å |
| 196 | R | 91.3 | Very high | 77.1 | Confident | 164 Ų | 164 | 100.5 Ų | 100.5 | 62% | 0.619 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -115.5 | -26.1 | -171.8 | -60.4 | -61.7 | 178.9 | 145.7 | -5.1 | 114.7 | H192 A200 | H192-R196 WeakPolarHBondContact O-CB 3.34Å; H192-R196 PolarHBondContact O-N 3.25Å; R196-A200 WeakPolarHBondContact O-CB 3.44Å |
| 197 | H | 90.2 | Very high | 74.4 | Confident | 27 Ų | 27 | 103.2 Ų | 103.2 | 13% | 0.125 | 50% | 0.5 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -44.5 | 179.5 | -56.6 | -47.5 | 0 | 0 | 0 | 111.8 | C173 I175 V176 C179 H192 V193 R199 A200 S201 | C173-H197 VanDerWaalsContact SG-CD2 3.6Å; C173-H197 PolarHBondContact SG-NE2 3.09Å; I175-H197 HydrophobicContact CG2-CB 3.8Å; V176-H197 VanDerWaalsContact CG2-ND1 3.34Å; V176-H197 WeakPolarHBondContact CG2-ND1 3.49Å; C179-H197 PolarHBondContact SG-NE2 3.36Å; C179-H197 VanDerWaalsContact SG-NE2 3.4Å; H192-H197 AromaticContact CE1-NE2 3.71Å; H192-H197 AromaticContact NE2-NE2 3.52Å; V193-H197 WeakPolarHBondContact O-CA 3.16Å; V193-H197 WeakPolarHBondContact O-CB 3.1Å; V193-H197 PolarHBondContact O-N 2.77Å; H197-R199 PolarHBondContact O-N 3.41Å; H197-A200 PolarHBondContact O-N 2.86Å; H197-S201 PolarHBondContact O-N 3.48Å; H197-S201 VanDerWaalsContact O-N 3.14Å; H197-S201 PolarHBondContact O-OG 3.06Å; H197-S201 VanDerWaalsContact O-OG 3.08Å |
| 198 | M | 84.3 | Confident | 71.7 | Confident | 98 Ų | 98 | 98.9 Ų | 98.9 | 48% | 0.483 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -17.1 | -178 | -57.2 | -57.7 | -69 | 0 | 0 | 115.1 | V193 S201 | V193-M198 HydrophobicContact CG1-CG 4.13Å; V193-M198 PolarHBondContact O-N 3.32Å; M198-S201 PolarHBondContact O-OG 3.3Å |
| 199 | R | 69.7 | Low | 69.2 | Low | 183 Ų | 183 | 100.3 Ų | 100.3 | 69% | 0.691 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -31.3 | 170.4 | -71.7 | -176 | -173.8 | -157.3 | 1.5 | 112.6 | H197 | H197-R199 PolarHBondContact O-N 3.41Š|
| 200 | A | 57.7 | Low | 66.9 | Low | 61 Ų | 61 | 107.7 Ų | 107.7 | 50% | 0.504 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -29.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R196 H197 K202 S203 | R196-A200 WeakPolarHBondContact O-CB 3.44Å; H197-A200 PolarHBondContact O-N 2.86Å; A200-K202 VanDerWaalsContact C-N 3.3Å; A200-K202 PolarHBondContact O-N 3.47Å; A200-S203 PolarHBondContact O-OG 2.89Å; A200-S203 VanDerWaalsContact O-OG 3.13Å |
| 201 | S | 57.1 | Low | 64.5 | Low | 72 Ų | 72 | 110 Ų | 110 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -72.9 | -17.7 | 177.6 | 49.9 | 0 | 0 | 0 | 0 | 114.3 | H197 M198 | H197-S201 PolarHBondContact O-N 3.48Å; H197-S201 VanDerWaalsContact O-N 3.14Å; H197-S201 PolarHBondContact O-OG 3.06Å; H197-S201 VanDerWaalsContact O-OG 3.08Å; M198-S201 PolarHBondContact O-OG 3.3Å |
| 202 | K | 51.2 | Low | 61.9 | Low | 174 Ų | 174 | 113.3 Ų | 113.3 | 76% | 0.757 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -86.6 | -10.5 | 178.8 | -66.2 | -170.9 | 179.4 | -171 | 0 | 114.5 | A200 S204 | A200-K202 VanDerWaalsContact C-N 3.3Å; A200-K202 PolarHBondContact O-N 3.47Å; K202-S204 VanDerWaalsContact C-N 3.33Å |
| 203 | S | 46.3 | Very low | 59.5 | Low | 102 Ų | 102 | 118.3 Ų | 118.3 | 71% | 0.713 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -87.6 | 0.4 | 174.4 | 63.7 | 0 | 0 | 0 | 0 | 113.5 | A200 R205 | A200-S203 PolarHBondContact O-OG 2.89Å; A200-S203 VanDerWaalsContact O-OG 3.13Å; S203-R205 PolarHBondContact O-N 3.43Å |
| 204 | S | 44.4 | Very low | 57.1 | Low | 98 Ų | 98 | 123.1 Ų | 123.1 | 69% | 0.685 | 64% | 0.641 | S | S | * | * | trans | -91.4 | 50.9 | 166.4 | -156.8 | 0 | 0 | 0 | 0 | 110.9 | K202 Q206 | K202-S204 VanDerWaalsContact C-N 3.33Å; S204-Q206 PolarHBondContact O-N 2.97Å | ||
| 205 | R | 41.1 | Very low | 54.7 | Low | 229 Ų | 229 | 127 Ų | 127 | 86% | 0.864 | 66% | 0.662 | S | S | * | * | trans | -74.9 | 109.6 | 153.8 | 178.1 | 174.3 | 177 | 170.1 | -1.4 | 105.1 | S203 E207 | S203-R205 PolarHBondContact O-N 3.43Å; R205-E207 PolarHBondContact O-N 3.08Å; R205-E207 VanDerWaalsContact O-N 3.13Å | ||
| 206 | Q | 41.1 | Very low | 52.4 | Low | 171 Ų | 171 | 127.4 Ų | 127.4 | 80% | 0.799 | 67% | 0.672 | S | S | * | * | trans | -50.4 | 120.6 | 177 | -64.2 | 170.4 | -66.5 | 0 | 0 | 109.3 | S204 P208 | S204-Q206 PolarHBondContact O-N 2.97Å; Q206-P208 WeakPolarHBondContact O-CD 3.43Å | ||
| 207 | E | 37.3 | Very low | 50.2 | Low | 155 Ų | 155 | 125.6 Ų | 125.6 | 72% | 0.724 | 68% | 0.682 | S | S | * | * | trans | -65.3 | 122.7 | 155.4 | -171.6 | -153.3 | 111.2 | 0 | 0 | 106.2 | R205 V209 | R205-E207 PolarHBondContact O-N 3.08Å; R205-E207 VanDerWaalsContact O-N 3.13Å; E207-V209 PolarHBondContact O-N 3.14Å | ||
| 208 | P | 39.7 | Very low | 48.1 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 77% | 0.766 | 72% | 0.716 | S | S | * | * | trans | -71.3 | 96.3 | 174 | -13.7 | 29.9 | 0 | 0 | 0 | 108.2 | Q206 H210 | Q206-P208 WeakPolarHBondContact O-CD 3.43Å; P208-H210 PolarHBondContact O-N 3.46Å | ||
| 209 | V | 41.9 | Very low | 46.3 | Very low | 105 Ų | 105 | 138.4 Ų | 138.4 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | trans | -54.9 | 111.5 | 172.4 | 172.7 | 0 | 0 | 0 | 0 | 108 | E207 L211 | E207-V209 PolarHBondContact O-N 3.14Å; V209-L211 HydrophobicContact CG1-CD2 4.3Å; V209-L211 HydrophobicContact CG1-CG 4.47Å; V209-L211 PolarHBondContact O-N 3.43Å | ||
| 210 | H | 45 | Very low | 45.3 | Very low | 173 Ų | 173 | 138.5 Ų | 138.5 | 80% | 0.801 | 74% | 0.737 | S | S | * | * | trans | -72 | 92.7 | 178.5 | -177.9 | 27.3 | 0 | 0 | 0 | 109.2 | P208 | P208-H210 PolarHBondContact O-N 3.46Š| ||
| 211 | L | 44.8 | Very low | 44.6 | Very low | 136 Ų | 136 | 146.9 Ų | 146.9 | 71% | 0.712 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 140.5 | 165.7 | -65.1 | 175.2 | 0 | 0 | 0 | 109.3 | V209 | V209-L211 HydrophobicContact CG1-CD2 4.3Å; V209-L211 HydrophobicContact CG1-CG 4.47Å; V209-L211 PolarHBondContact O-N 3.43Å |
| 212 | P | 42.8 | Very low | 44.3 | Very low | 108 Ų | 108 | 149.9 Ų | 149.9 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 146.9 | 174 | 30.8 | -34.3 | 0 | 0 | 0 | 110.5 | ||
| 213 | P | 42.5 | Very low | 44.1 | Very low | 116 Ų | 116 | 146.9 Ų | 146.9 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 149.6 | -178.1 | 30.4 | -34.9 | 0 | 0 | 0 | 112.3 | ||
| 214 | P | 43.5 | Very low | 44.2 | Very low | 114 Ų | 114 | 147.6 Ų | 147.6 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 147.5 | 171.9 | 32.1 | -34.3 | 0 | 0 | 0 | 111.7 | ||
| 215 | D | 44.4 | Very low | 44.2 | Very low | 150 Ų | 150 | 148.4 Ų | 148.4 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 129.6 | 176.7 | -163.9 | -80.7 | 0 | 0 | 0 | 111.5 | ||
| 216 | V | 44.2 | Very low | 44.3 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 74% | 0.739 | 77% | 0.772 | S | S | * | * | trans | -133.4 | 123.2 | 171.1 | -71.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 217 | P | 44.5 | Very low | 44.3 | Very low | 125 Ų | 125 | 145.4 Ų | 145.4 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | trans | -63.9 | 135 | -171.6 | -29.4 | 36.8 | 0 | 0 | 0 | 116.5 | R219 | P217-R219 PolarHBondContact O-N 3.4Š| ||
| 218 | E | 45.8 | Very low | 44.7 | Very low | 180 Ų | 180 | 143.9 Ų | 143.9 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | trans | -61.8 | 114.5 | 178.3 | -164.4 | 84.9 | -144.7 | 0 | 0 | 113.5 | ||||
| 219 | R | 48.5 | Very low | 44.6 | Very low | 214 Ų | 214 | 147.1 Ų | 147.1 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | trans | -156.6 | 130.6 | 147.8 | -139.1 | 174.5 | -86.1 | -169.1 | -8.1 | 113.6 | P217 | P217-R219 PolarHBondContact O-N 3.4Š| ||
| 220 | F | 47.7 | Very low | 44.3 | Very low | 186 Ų | 186 | 147.8 Ų | 147.8 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | trans | 65.1 | 82.7 | 173.8 | -62.7 | -76.9 | 0 | 0 | 0 | 117.6 | ||||
| 221 | R | 42.5 | Very low | 44 | Very low | 237 Ų | 237 | 147 Ų | 147 | 89% | 0.894 | 78% | 0.784 | S | S | * | * | -143.8 | 144.2 | 125.8 | -109.7 | 178.1 | -161.7 | 88.5 | 0.3 | 111.7 | |||||
| 222 | V | 50.6 | Low | 43.9 | Very low | 134 Ų | 134 | 146.6 Ų | 146.6 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 136.4 | -175.7 | 177.5 | 0 | 0 | 0 | 0 | 110.1 | ||
| 223 | P | 48.4 | Very low | 43.7 | Very low | 112 Ų | 112 | 149.4 Ų | 149.4 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 134.8 | 176.6 | 30.7 | -33.8 | 0 | 0 | 0 | 112.2 | ||
| 224 | P | 47.8 | Very low | 43.5 | Very low | 116 Ų | 116 | 151.1 Ų | 151.1 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 158.2 | 163.2 | -19.6 | 33.6 | 0 | 0 | 0 | 112 | ||
| 225 | P | 44.9 | Very low | 43.6 | Very low | 116 Ų | 116 | 151.1 Ų | 151.1 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74 | 151.9 | -165.4 | 29.4 | -35.7 | 0 | 0 | 0 | 114.4 | ||
| 226 | H | 43 | Very low | 43.3 | Very low | 176 Ų | 176 | 148.5 Ų | 148.5 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 138.9 | 176.7 | 41.4 | -92.1 | 0 | 0 | 0 | 112 | ||
| 227 | I | 41.5 | Very low | 43.4 | Very low | 161 Ų | 161 | 148.7 Ų | 148.7 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | -115.4 | 133.6 | 162.9 | -12.8 | 176.8 | 0 | 0 | 0 | 107.2 | ||||
| 228 | P | 45.3 | Very low | 43.2 | Very low | 122 Ų | 122 | 150.5 Ų | 150.5 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -74.1 | 148.7 | -160.4 | -20.3 | 34.5 | 0 | 0 | 0 | 115.5 | ||||
| 229 | K | 36.8 | Very low | 43.2 | Very low | 186 Ų | 186 | 147.6 Ų | 147.6 | 81% | 0.809 | 79% | 0.794 | S | S | * | * | trans | -74.3 | 138.2 | 163.7 | -79.2 | 93.2 | 169.4 | -177 | 0 | 110.4 | ||||
| 230 | S | 36.2 | Very low | 42.9 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -103.7 | 94.2 | 155.7 | 58.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 231 | H | 39.2 | Very low | 42.3 | Very low | 157 Ų | 157 | 145 Ų | 145 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -86.4 | 118.8 | 163 | -95.9 | -91.9 | 0 | 0 | 0 | 108.7 | ||||
| 232 | V | 41.8 | Very low | 41.9 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | -108.1 | 123 | 154.3 | 174.8 | 0 | 0 | 0 | 0 | 106.8 | L234 | V232-L234 HydrophobicContact CG1-CD1 4.12Š| ||
| 233 | H | 38.2 | Very low | 41.5 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -107.3 | 117.8 | -174.8 | -153.8 | -87.4 | 0 | 0 | 0 | 107.6 | ||||
| 234 | L | 38 | Very low | 41.6 | Very low | 152 Ų | 152 | 140.7 Ų | 140.7 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | -144.7 | 142.7 | 165.1 | -92.9 | 122 | 0 | 0 | 0 | 110 | V232 | V232-L234 HydrophobicContact CG1-CD1 4.12Š| ||
| 235 | P | 46.4 | Very low | 41.6 | Very low | 114 Ų | 114 | 141 Ų | 141 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 157.2 | -165.8 | 35.6 | -36.2 | 0 | 0 | 0 | 113.7 | ||
| 236 | A | 39.1 | Very low | 41.6 | Very low | 96 Ų | 96 | 141.1 Ų | 141.1 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 135.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 237 | P | 44.5 | Very low | 41.9 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 161.3 | 168.9 | 32.8 | -33 | 0 | 0 | 0 | 112.8 | ||
| 238 | L | 41.2 | Very low | 41.8 | Very low | 163 Ų | 163 | 136.5 Ų | 136.5 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 159.9 | -167.6 | -64.6 | 165.4 | 0 | 0 | 0 | 114.3 | ||
| 239 | P | 45.9 | Very low | 42.1 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -82 | 142.9 | 179.8 | 32.9 | -35.3 | 0 | 0 | 0 | 113.7 | ||
| 240 | P | 43 | Very low | 42.2 | Very low | 129 Ų | 129 | 135 Ų | 135 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 152.2 | 165.7 | -16.7 | 32.4 | 0 | 0 | 0 | 113.9 | ||
| 241 | Y | 34.1 | Very low | 42.1 | Very low | 216 Ų | 216 | 136 Ų | 136 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -63 | 149.9 | 179.7 | -97.7 | -130.9 | 0 | 0 | 0 | 115.3 | ||
| 242 | S | 35 | Very low | 41.9 | Very low | 94 Ų | 94 | 131.5 Ų | 131.5 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | 26.5 | 140.6 | 118.4 | -41.2 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 243 | Q | 41.9 | Very low | 42.4 | Very low | 182 Ų | 182 | 131.3 Ų | 131.3 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | cis | 178.4 | 163.3 | 43.4 | -147.1 | 172.8 | 10.1 | 0 | 0 | 110 | ||||
| 244 | P | 50.2 | Low | 43 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -115.9 | 141.9 | 170.4 | 37.7 | -28.6 | 0 | 0 | 0 | 115.2 | ||||
| 245 | P | 46.7 | Very low | 44.1 | Very low | 121 Ų | 121 | 126.8 Ų | 126.8 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | -145.4 | -167.5 | 154.2 | 42.8 | -25.1 | 0 | 0 | 0 | 113.4 | ||||
| 246 | P | 44.9 | Very low | 44.4 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | -125.3 | 179.3 | -85.7 | 39.6 | -21.8 | 0 | 0 | 0 | 114.9 | |||||
| 247 | P | 51.1 | Low | 44.4 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | trans | -114.8 | 153.6 | -177.3 | 39.4 | -31.1 | 0 | 0 | 0 | 116.8 | ||||
| 248 | S | 39.5 | Very low | 44.5 | Very low | 118 Ų | 118 | 126.4 Ų | 126.4 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | 165.1 | 172.1 | 159.3 | -80 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 249 | P | 50.3 | Low | 44.3 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | cis | -136.6 | -170.7 | -41 | 33.9 | -13.1 | 0 | 0 | 0 | 114.6 | ||||
| 250 | H | 39.8 | Very low | 43.7 | Very low | 171 Ų | 171 | 124.3 Ų | 124.3 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | trans | 72.3 | 152 | 164.7 | -81.8 | -80.1 | 0 | 0 | 0 | 119.1 | ||||
| 251 | D | 34.3 | Very low | 43.9 | Very low | 140 Ų | 140 | 124.1 Ų | 124.1 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | cis | -159.8 | 163 | -2.8 | -158 | -97.5 | 0 | 0 | 0 | 112.3 | ||||
| 252 | G | 34 | Very low | 43.9 | Very low | 63 Ų | 63 | 120 Ų | 120 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | trans | 103.8 | 138.4 | 142.4 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 253 | P | 51.8 | Low | 43.9 | Very low | 123 Ų | 123 | 122.1 Ų | 122.1 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | trans | -129 | -159.7 | -175.6 | 45.3 | -30.1 | 0 | 0 | 0 | 114.6 | ||||
| 254 | P | 51.8 | Low | 43.8 | Very low | 111 Ų | 111 | 120.9 Ų | 120.9 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | cis | -126.7 | -134.8 | -38.7 | 26.9 | -1.8 | 0 | 0 | 0 | 111.9 | ||||
| 255 | P | 61.2 | Low | 43.5 | Very low | 112 Ų | 112 | 126.4 Ų | 126.4 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | -104 | -154.2 | -90.7 | 40.4 | -23.7 | 0 | 0 | 0 | 111.8 | |||||
| 256 | P | 52.5 | Low | 43 | Very low | 106 Ų | 106 | 127.4 Ų | 127.4 | 69% | 0.688 | 75% | 0.754 | S | S | * | * | cis | -138.2 | 165.3 | -5 | 43.5 | -25.4 | 0 | 0 | 0 | 118.9 | ||||
| 257 | S | 39.5 | Very low | 42.4 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | 38.2 | 156.2 | 133.5 | -50.8 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 258 | P | 46.3 | Very low | 41.8 | Very low | 109 Ų | 109 | 127.8 Ų | 127.8 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | cis | -140.4 | 172.3 | 14.6 | 45.2 | -27.7 | 0 | 0 | 0 | 118.9 | ||||
| 259 | L | 36.5 | Very low | 41.8 | Very low | 170 Ų | 170 | 128.6 Ų | 128.6 | 89% | 0.89 | 76% | 0.757 | S | S | * | * | trans | 77.4 | 110.3 | 160.7 | -48.8 | -173.3 | 0 | 0 | 0 | 120.2 | ||||
| 260 | G | 34.2 | Very low | 41.6 | Very low | 67 Ų | 67 | 129 Ų | 129 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | trans | -98.2 | -145.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 261 | P | 45.8 | Very low | 41.3 | Very low | 125 Ų | 125 | 127.1 Ų | 127.1 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | cis | -107.7 | 137 | 10 | 37.2 | -27.6 | 0 | 0 | 0 | 113.5 | ||||
| 262 | E | 35.3 | Very low | 41.4 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 61% | 0.607 | 76% | 0.757 | S | S | * | * | 77.3 | 77.8 | 66.7 | -82.2 | -84.5 | 60.4 | 0 | 0 | 115.1 | F264 | E262-F264 HydrophobicContact CB-CD2 4.26Å; E262-F264 HydrophobicContact CB-CE2 3.92Å; E262-F264 HydrophobicContact CG-CE2 4.23Å; E262-F264 PolarHBondContact O-N 3.47Å; E262-F264 WeakPolarHBondContact OE2-CZ 3.34Å | |||
| 263 | T | 34.5 | Very low | 41.9 | Very low | 137 Ų | 137 | 133.4 Ų | 133.4 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | trans | -89 | 90.2 | 162.3 | -47.9 | 0 | 0 | 0 | 0 | 109 | R265 | T263-R265 PolarHBondContact O-N 3.12Š| ||
| 264 | F | 38.7 | Very low | 41.5 | Very low | 156 Ų | 156 | 135.6 Ų | 135.6 | 68% | 0.684 | 76% | 0.756 | S | S | * | * | trans | -59.1 | 126.8 | -175.9 | -85.6 | -87 | 0 | 0 | 0 | 113.3 | E262 | E262-F264 HydrophobicContact CB-CD2 4.26Å; E262-F264 HydrophobicContact CB-CE2 3.92Å; E262-F264 HydrophobicContact CG-CE2 4.23Å; E262-F264 PolarHBondContact O-N 3.47Å; E262-F264 WeakPolarHBondContact OE2-CZ 3.34Å | ||
| 265 | R | 44.2 | Very low | 41.4 | Very low | 234 Ų | 234 | 135 Ų | 135 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | trans | -89.4 | 127 | 164.4 | -58.6 | 177.8 | -176.4 | 179.9 | 1.2 | 109 | T263 | T263-R265 PolarHBondContact O-N 3.12Š| ||
| 266 | I | 36.9 | Very low | 40.2 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 73% | 0.728 | 76% | 0.761 | S | S | * | * | trans | -133.3 | 111.1 | 153.8 | -58 | -179.1 | 0 | 0 | 0 | 108.3 | T268 | I266-T268 HydrophobicContact CG2-CG2 4.02Š| ||
| 267 | S | 32.3 | Very low | 40 | Very low | 123 Ų | 123 | 139.2 Ų | 139.2 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -95.7 | 107.8 | 156.3 | -74.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 268 | T | 39.5 | Very low | 40.1 | Very low | 127 Ų | 127 | 141.5 Ų | 141.5 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | -106.8 | 134.6 | 158.2 | 37.6 | 0 | 0 | 0 | 0 | 109.2 | I266 | I266-T268 HydrophobicContact CG2-CG2 4.02Š| ||
| 269 | V | 38.1 | Very low | 39.9 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | trans | -77.2 | 151.4 | -170.5 | 167.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 270 | T | 46.2 | Very low | 40.5 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | trans | -30.5 | 148.5 | 172.3 | 72.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 271 | T | 33.8 | Very low | 40.7 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | -162.8 | 137.4 | 82.2 | 29.8 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 272 | R | 35.7 | Very low | 40.4 | Very low | 186 Ų | 186 | 143.1 Ų | 143.1 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | trans | 71.9 | 102.1 | 139.8 | -159.6 | 178.5 | -147.4 | -103.9 | 9.4 | 120.6 | ||||
| 273 | K | 46 | Very low | 40.5 | Very low | 150 Ų | 150 | 145.7 Ų | 145.7 | 65% | 0.652 | 77% | 0.771 | S | S | * | * | trans | 58.3 | 124.1 | 145.7 | -57.8 | 174.7 | 177.7 | -175.6 | 0 | 114.6 | ||||
| 274 | H | 43.1 | Very low | 40.4 | Very low | 169 Ų | 169 | 146.1 Ų | 146.1 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | cis | -152.5 | 156.9 | 42.8 | -63.5 | -103.1 | 0 | 0 | 0 | 111.9 | ||||
| 275 | S | 49.1 | Very low | 40.3 | Very low | 97 Ų | 97 | 144.6 Ų | 144.6 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | trans | 65 | 144.2 | 170.3 | 82.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 276 | N | 35.5 | Very low | 39.7 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | trans | -143.5 | 95.6 | 154.9 | -85.6 | -38.7 | 0 | 0 | 0 | 106.2 | ||||
| 277 | L | 48.6 | Very low | 39.4 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | -62.7 | 139.9 | 159.2 | -85.3 | 67.9 | 0 | 0 | 0 | 107.5 | T279 | L277-T279 PolarHBondContact O-N 3.33Š| ||
| 278 | I | 41.6 | Very low | 39.4 | Very low | 162 Ų | 162 | 137.4 Ų | 137.4 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | trans | -82.7 | 93.2 | 164.3 | -65.2 | 171.2 | 0 | 0 | 0 | 106.4 | V280 | I278-V280 HydrophobicContact CG2-CG2 4.14Å; I278-V280 PolarHBondContact O-N 3.42Å | ||
| 279 | T | 42.6 | Very low | 39.1 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | trans | -84.6 | 106.4 | 169.6 | -52.6 | 0 | 0 | 0 | 0 | 108.2 | L277 | L277-T279 PolarHBondContact O-N 3.33Š| ||
| 280 | V | 48 | Very low | 39.1 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 63% | 0.63 | 78% | 0.775 | S | S | * | * | trans | -80.9 | 129 | 169.6 | -168.3 | 0 | 0 | 0 | 0 | 107.5 | I278 I282 | I278-V280 HydrophobicContact CG2-CG2 4.14Å; I278-V280 PolarHBondContact O-N 3.42Å; V280-I282 PolarHBondContact O-N 3.13Å; V280-I282 VanDerWaalsContact O-N 3.12Å | ||
| 281 | P | 39.7 | Very low | 39 | Very low | 123 Ų | 123 | 143 Ų | 143 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | trans | -65.6 | 113.4 | 175.1 | -18.6 | 31.6 | 0 | 0 | 0 | 109.9 | ||||
| 282 | I | 39.8 | Very low | 38.9 | Very low | 161 Ų | 161 | 145.1 Ų | 145.1 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | trans | -94.4 | 110.7 | 162.5 | -56.4 | 177.3 | 0 | 0 | 0 | 105.6 | V280 | V280-I282 PolarHBondContact O-N 3.13Å; V280-I282 VanDerWaalsContact O-N 3.12Å | ||
| 283 | H | 37.2 | Very low | 39.6 | Very low | 183 Ų | 183 | 142 Ų | 142 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | trans | -89.2 | 108.1 | 174.8 | -176.8 | -71.8 | 0 | 0 | 0 | 107.9 | ||||
| 284 | D | 32.6 | Very low | 38.9 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | -149.4 | 149.5 | 158.7 | -152.7 | -137.4 | 0 | 0 | 0 | 113.3 | ||||
| 285 | D | 34.9 | Very low | 38.2 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 66% | 0.663 | 78% | 0.78 | S | S | * | * | trans | -51.3 | 138.1 | -168.5 | -166.8 | -92.6 | 0 | 0 | 0 | 117.9 | ||||
| 286 | S | 32.4 | Very low | 38.1 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -179.2 | 133.6 | 133.7 | -84.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 287 | S | 31.8 | Very low | 37.9 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -74.5 | 146.6 | -173.7 | -68 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 288 | S | 31.6 | Very low | 37.9 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -41.1 | 145.6 | 179 | -65 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 289 | R | 32.7 | Very low | 37.3 | Very low | 256 Ų | 256 | 128.6 Ų | 128.6 | 97% | 0.966 | 79% | 0.791 | S | S | * | * | trans | -125.6 | 122.9 | 141.1 | -85 | -174.7 | 163.6 | -157.6 | -4.9 | 109.3 | ||||
| 290 | D | 38.4 | Very low | 36.9 | Very low | 155 Ų | 155 | 131.5 Ų | 131.5 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | trans | -110.5 | 158.4 | 178 | -157.7 | -106.2 | 0 | 0 | 0 | 109.9 | ||||
| 291 | P | 44 | Very low | 36.8 | Very low | 82 Ų | 82 | 132.1 Ų | 132.1 | 53% | 0.532 | 80% | 0.803 | S | S | . | * | trans | -120 | 160.8 | -158.4 | 38 | -24 | 0 | 0 | 0 | 117.8 | ||||
| 292 | H | 31.9 | Very low | 37.3 | Very low | 176 Ų | 176 | 130 Ų | 130 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | trans | 77.7 | 168 | 167.3 | -49.2 | -74.8 | 0 | 0 | 0 | 117.7 | ||||
| 293 | P | 50.2 | Low | 37.1 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | -135.9 | -174.4 | -59.3 | 40.6 | -25.7 | 0 | 0 | 0 | 115.1 | |||||
| 294 | A | 31.2 | Very low | 37 | Very low | 100 Ų | 100 | 127.6 Ų | 127.6 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | 99.1 | 98.1 | 152.5 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 295 | G | 28.8 | Very low | 37 | Very low | 75 Ų | 75 | 128.1 Ų | 128.1 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | 76.1 | 167.2 | 138 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 296 | P | 46.7 | Very low | 37.8 | Very low | 129 Ų | 129 | 128 Ų | 128 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | cis | -137.5 | 121.4 | -48.7 | 35.4 | -18.5 | 0 | 0 | 0 | 115.6 | ||||
| 297 | G | 30.7 | Very low | 37.7 | Very low | 80 Ų | 80 | 126.1 Ų | 126.1 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | 56.2 | -170.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 298 | P | 48.6 | Very low | 37.7 | Very low | 139 Ų | 139 | 127.4 Ų | 127.4 | 90% | 0.903 | 77% | 0.774 | S | S | * | * | cis | -123.8 | 175.7 | -28.2 | 40.3 | -27 | 0 | 0 | 0 | 112.5 | ||||
| 299 | G | 29.1 | Very low | 38 | Very low | 79 Ų | 79 | 131.8 Ų | 131.8 | 81% | 0.814 | 77% | 0.774 | S | S | * | * | trans | 149.3 | 93.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 300 | Q | 34.2 | Very low | 39 | Very low | 179 Ų | 179 | 125 Ų | 125 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | trans | -77.1 | 173.6 | 160.5 | -104.9 | -169.4 | -21.6 | 0 | 0 | 110.1 | ||||
| 301 | P | 45.9 | Very low | 38.7 | Very low | 118 Ų | 118 | 120.9 Ų | 120.9 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | cis | -150.3 | -156.1 | 43.6 | 51.5 | -28.6 | 0 | 0 | 0 | 113.8 | ||||
| 302 | P | 50.8 | Low | 38.4 | Very low | 79 Ų | 79 | 125.6 Ų | 125.6 | 51% | 0.513 | 77% | 0.772 | S | S | . | * | -135.3 | -164.8 | -117.9 | 22.6 | 7.2 | 0 | 0 | 0 | 114.8 | |||||
| 303 | H | 35.8 | Very low | 39.3 | Very low | 144 Ų | 144 | 122.4 Ų | 122.4 | 67% | 0.667 | 77% | 0.767 | S | S | * | * | trans | 125.1 | 122 | 134.5 | -76.8 | -59.7 | 0 | 0 | 0 | 120.3 | ||||
| 304 | H | 33.9 | Very low | 39.3 | Very low | 149 Ų | 149 | 121.5 Ų | 121.5 | 69% | 0.69 | 76% | 0.761 | S | S | * | * | trans | 79.7 | 160.7 | 141.7 | -62.4 | -51.5 | 0 | 0 | 0 | 122.6 | ||||
| 305 | H | 33.4 | Very low | 39.6 | Very low | 157 Ų | 157 | 123 Ų | 123 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | -147.4 | -177.6 | -158.4 | 48.6 | -113 | 0 | 0 | 0 | 107.3 | ||||
| 306 | P | 50.8 | Low | 40.1 | Very low | 122 Ų | 122 | 124.3 Ų | 124.3 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | cis | -129.5 | -165.4 | -19.7 | 35.7 | -14.3 | 0 | 0 | 0 | 111.9 | ||||
| 307 | G | 30.4 | Very low | 39.4 | Very low | 73 Ų | 73 | 124 Ų | 124 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | trans | 128.9 | 107.8 | 145.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 308 | D | 33.1 | Very low | 39.6 | Very low | 146 Ų | 146 | 128.1 Ų | 128.1 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | trans | 44.6 | 134.1 | 134.6 | -141.7 | -124.2 | 0 | 0 | 0 | 126.3 | ||||
| 309 | Y | 37.8 | Very low | 38.7 | Very low | 208 Ų | 208 | 126.4 Ų | 126.4 | 82% | 0.816 | 74% | 0.742 | S | S | * | * | trans | 68.6 | 163.5 | 155 | -101.2 | -118.9 | 0 | 0 | 0 | 120.2 | ||||
| 310 | P | 53.3 | Low | 39.1 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | trans | -137.3 | 179.1 | -131.2 | 34.5 | -9.8 | 0 | 0 | 0 | 117.1 | ||||
| 311 | G | 31.8 | Very low | 39.6 | Very low | 68 Ų | 68 | 132 Ų | 132 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | trans | 126.7 | 126.1 | 147.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 312 | Q | 38.5 | Very low | 39.1 | Very low | 181 Ų | 181 | 135.3 Ų | 135.3 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | trans | 63.4 | 172.2 | 164.4 | -62.6 | -66.8 | -19.4 | 0 | 0 | 114.9 | ||||
| 313 | P | 49.5 | Very low | 38.7 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | cis | -134.6 | -139.1 | 10.6 | 36.5 | -10.8 | 0 | 0 | 0 | 112.9 | ||||
| 314 | P | 51.7 | Low | 39.1 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | -130.3 | 165.7 | -68.5 | 33 | -14.4 | 0 | 0 | 0 | 117.6 | |||||
| 315 | V | 35.6 | Very low | 39.6 | Very low | 131 Ų | 131 | 137 Ų | 137 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | 50.8 | 111.3 | 132.2 | 179.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 316 | V | 40.2 | Very low | 40.3 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 62% | 0.624 | 78% | 0.783 | S | S | * | * | 56.8 | 129.5 | 129.6 | -178.5 | 0 | 0 | 0 | 0 | 122.7 | H318 | V316-H318 WeakPolarHBondContact CG1-ND1 3.28Š| |||
| 317 | S | 32 | Very low | 40.1 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | -151.2 | 146.2 | 129.9 | -86.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 318 | H | 35.9 | Very low | 40.8 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -85.7 | 178.4 | -176.4 | -65.8 | 66 | 0 | 0 | 0 | 110.3 | V316 | V316-H318 WeakPolarHBondContact CG1-ND1 3.28Š| ||
| 319 | S | 29.5 | Very low | 41.3 | Very low | 102 Ų | 102 | 142.2 Ų | 142.2 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | cis | -162.8 | 150.6 | 31.3 | -53.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 320 | H | 37.8 | Very low | 41.4 | Very low | 194 Ų | 194 | 142.3 Ų | 142.3 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | trans | -85.2 | 148.8 | 165.8 | -72.5 | -101.7 | 0 | 0 | 0 | 111.8 | ||||
| 321 | H | 43.6 | Very low | 41.4 | Very low | 182 Ų | 182 | 139.9 Ų | 139.9 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -140.8 | 145.7 | 161.4 | 52.7 | -73.1 | 0 | 0 | 0 | 110.2 | ||||
| 322 | M | 36.7 | Very low | 42.9 | Very low | 187 Ų | 187 | 142.6 Ų | 142.6 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -103.2 | 150.8 | -166.3 | -57.9 | -153.9 | -171.9 | 0 | 0 | 113.1 | ||||
| 323 | M | 41.1 | Very low | 43.8 | Very low | 197 Ų | 197 | 139.6 Ų | 139.6 | 97% | 0.97 | 79% | 0.791 | S | S | * | * | trans | -149.4 | 145.4 | 148.5 | -99.2 | -169.8 | 174.9 | 0 | 0 | 110.9 | ||||
| 324 | A | 44.7 | Very low | 44.3 | Very low | 95 Ų | 95 | 140 Ų | 140 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 151.3 | -177 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 325 | P | 43.5 | Very low | 44.8 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 154.4 | 177.2 | 35.8 | -33.7 | 0 | 0 | 0 | 113.2 | ||
| 326 | P | 48 | Very low | 46.1 | Very low | 109 Ų | 109 | 140 Ų | 140 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -80 | 154.2 | -176.4 | 32.5 | -35.7 | 0 | 0 | 0 | 114.1 | ||
| 327 | Q | 48 | Very low | 47 | Very low | 178 Ų | 178 | 140.8 Ų | 140.8 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 134 | 173.6 | -68.2 | -75.4 | -14.9 | 0 | 0 | 111.2 | ||
| 328 | H | 44.8 | Very low | 48.3 | Very low | 157 Ų | 157 | 140.1 Ų | 140.1 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -135.9 | 127.1 | 165.2 | -82.4 | -78.7 | 0 | 0 | 0 | 111.2 | ||||
| 329 | N | 42.9 | Very low | 48.7 | Very low | 163 Ų | 163 | 138 Ų | 138 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 140.8 | -176.7 | -67.9 | 25.1 | 0 | 0 | 0 | 112.9 | ||
| 330 | F | 39.8 | Very low | 49.4 | Very low | 209 Ų | 209 | 139.8 Ų | 139.8 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 126 | 162.8 | -71.5 | -89.1 | 0 | 0 | 0 | 110.3 | ||
| 331 | G | 54.9 | Low | 49.4 | Very low | 64 Ų | 64 | 135.8 Ų | 135.8 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 166.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 332 | P | 62.5 | Low | 49.4 | Very low | 125 Ų | 125 | 135 Ų | 135 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 153.7 | -179.5 | 29 | -34.9 | 0 | 0 | 0 | 112.4 | ||
| 333 | P | 58 | Low | 49.6 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 152.8 | -178 | 30.4 | -35.9 | 0 | 0 | 0 | 112.8 | ||
| 334 | P | 59.1 | Low | 49.3 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 152.7 | 176.5 | 30.7 | -35.4 | 0 | 0 | 0 | 112.4 | ||
| 335 | P | 63.4 | Low | 49 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 157.5 | 178.8 | 30.5 | -35.6 | 0 | 0 | 0 | 112.9 | ||
| 336 | P | 61.9 | Low | 48.7 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 153.6 | 178 | 30.3 | -35.7 | 0 | 0 | 0 | 112.7 | ||
| 337 | P | 58.3 | Low | 48.4 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 151.6 | 178.4 | 30.4 | -35.4 | 0 | 0 | 0 | 112.5 | ||
| 338 | P | 59.4 | Low | 47.9 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 156.3 | 179.1 | 30.5 | -35.8 | 0 | 0 | 0 | 112.6 | ||
| 339 | P | 45.7 | Very low | 47.6 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 133.5 | 178.4 | 28.5 | -34.4 | 0 | 0 | 0 | 111.5 | S341 | P339-S341 PolarHBondContact O-N 3.21Š|
| 340 | I | 42.5 | Very low | 47.1 | Very low | 138 Ų | 138 | 132.6 Ų | 132.6 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | trans | -79.2 | 103.9 | 179.9 | -66.5 | 170.5 | 0 | 0 | 0 | 109.6 | H342 | I340-H342 WeakPolarHBondContact CG2-CD2 3.43Å; I340-H342 WeakPolarHBondContact CG2-NE2 3.46Å | ||
| 341 | S | 39.8 | Very low | 47 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -92.4 | 92.5 | 168.9 | 57.3 | 0 | 0 | 0 | 0 | 110.5 | P339 P343 | P339-S341 PolarHBondContact O-N 3.21Å; S341-P343 WeakPolarHBondContact O-CD 3.37Å | ||
| 342 | H | 41.6 | Very low | 46.1 | Very low | 166 Ų | 166 | 128.9 Ų | 128.9 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 120.3 | 169.6 | -70.5 | -51 | 0 | 0 | 0 | 110.7 | I340 | I340-H342 WeakPolarHBondContact CG2-CD2 3.43Å; I340-H342 WeakPolarHBondContact CG2-NE2 3.46Å |
| 343 | P | 41 | Very low | 44.8 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -75 | 137.4 | 160.2 | 31.4 | -31.4 | 0 | 0 | 0 | 109.8 | S341 Q345 | S341-P343 WeakPolarHBondContact O-CD 3.37Å; P343-Q345 PolarHBondContact O-N 2.94Å |
| 344 | M | 36 | Very low | 44.4 | Very low | 176 Ų | 176 | 129.8 Ų | 129.8 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 118.1 | 176.6 | -164.4 | 88.6 | 73.7 | 0 | 0 | 110 | ||
| 345 | Q | 37.6 | Very low | 43.2 | Very low | 188 Ų | 188 | 132 Ų | 132 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 122.4 | 172.4 | -75.1 | -174.2 | -32 | 0 | 0 | 110.7 | P343 | P343-Q345 PolarHBondContact O-N 2.94Š|
| 346 | H | 37.6 | Very low | 42.1 | Very low | 170 Ų | 170 | 134.1 Ų | 134.1 | 79% | 0.787 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 151.6 | 166.9 | -102.8 | -145.3 | 0 | 0 | 0 | 110.8 | ||
| 347 | P | 42 | Very low | 41.2 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74 | 155 | 176.3 | 32 | -35 | 0 | 0 | 0 | 112.2 | ||
| 348 | A | 36.5 | Very low | 40.1 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 143.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 349 | Q | 38.6 | Very low | 38.8 | Very low | 191 Ų | 191 | 139.4 Ų | 139.4 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | -124.5 | 151.7 | 166.3 | -82.7 | -86.6 | -41.5 | 0 | 0 | 108.7 | ||||
| 350 | A | 32.2 | Very low | 38.5 | Very low | 98 Ų | 98 | 142.6 Ų | 142.6 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -76.2 | 161.4 | -161.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 351 | S | 38.7 | Very low | 38.4 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -70.4 | 142.4 | -177.7 | 48.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 352 | G | 34.9 | Very low | 38.9 | Very low | 70 Ų | 70 | 140.9 Ų | 140.9 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | 175.9 | 63.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 353 | T | 37.1 | Very low | 39.3 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | 38.7 | 154.1 | 147.4 | 43.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 354 | P | 47.8 | Very low | 39.9 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | trans | -111.5 | 165 | -144.9 | 41.2 | -35 | 0 | 0 | 0 | 116.8 | ||||
| 355 | H | 35.2 | Very low | 40.4 | Very low | 163 Ų | 163 | 137 Ų | 137 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -148.3 | 113.6 | 158.4 | -147.7 | -105.3 | 0 | 0 | 0 | 115.5 | ||||
| 356 | M | 40.6 | Very low | 40.8 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 80% | 0.803 | 80% | 0.804 | S | S | * | * | trans | 64.5 | 141.5 | 148.6 | -64.8 | -164.1 | -179.4 | 0 | 0 | 124.8 | ||||
| 357 | V | 42.8 | Very low | 40.7 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | trans | -88.8 | 139.4 | 178.9 | 161.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 358 | Y | 33.7 | Very low | 40.6 | Very low | 202 Ų | 202 | 133.7 Ų | 133.7 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | trans | -159.8 | 129.1 | 133.1 | -141.4 | -119.3 | 0 | 0 | 0 | 116.1 | ||||
| 359 | N | 32.8 | Very low | 40.9 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 64% | 0.642 | 81% | 0.808 | S | S | * | * | trans | 62.3 | 150.4 | 154.2 | -80.4 | 12.8 | 0 | 0 | 0 | 125.4 | ||||
| 360 | Q | 40 | Very low | 41.3 | Very low | 189 Ų | 189 | 130.1 Ų | 130.1 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -119.8 | 151.4 | -173.4 | -56.2 | 154.8 | 35 | 0 | 0 | 109 | ||||
| 361 | A | 40.6 | Very low | 42.2 | Very low | 97 Ų | 97 | 130.9 Ų | 130.9 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | 154.9 | 174.9 | 147.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 362 | P | 50.2 | Low | 42.6 | Very low | 116 Ų | 116 | 131 Ų | 131 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | -110.4 | 172.1 | -102.6 | 23 | -1.2 | 0 | 0 | 0 | 114.1 | |||||
| 363 | P | 48.8 | Very low | 43.1 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 140.8 | -173.6 | 32.6 | -35.1 | 0 | 0 | 0 | 114.2 | ||
| 364 | P | 54.8 | Low | 43.5 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 164.1 | 165.5 | 34.7 | -33.1 | 0 | 0 | 0 | 112.4 | ||
| 365 | P | 45.7 | Very low | 43.7 | Very low | 131 Ų | 131 | 134.5 Ų | 134.5 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 168.6 | -160.4 | 33.7 | -37.6 | 0 | 0 | 0 | 115.7 | ||
| 366 | M | 46.3 | Very low | 44.1 | Very low | 182 Ų | 182 | 132.5 Ų | 132.5 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 136.1 | -176.9 | -52.1 | 176.7 | 72.9 | 0 | 0 | 113.5 | ||
| 367 | S | 35.9 | Very low | 44.4 | Very low | 123 Ų | 123 | 130.5 Ų | 130.5 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -166.4 | 128.2 | 144.5 | -86.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 368 | A | 39.2 | Very low | 44 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | 30.6 | 135.8 | 151.8 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 369 | A | 42 | Very low | 44.1 | Very low | 95 Ų | 95 | 125.8 Ų | 125.8 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | 86.9 | 128.2 | 152 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 370 | P | 47.3 | Very low | 44.5 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 153.3 | 170.1 | 35.1 | -33.8 | 0 | 0 | 0 | 112.6 | ||
| 371 | P | 51.3 | Low | 44.3 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 152.9 | -178.4 | 32.1 | -35.8 | 0 | 0 | 0 | 113.6 | ||
| 372 | P | 47.8 | Very low | 44 | Very low | 128 Ų | 128 | 125.4 Ų | 125.4 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 142.2 | 179 | 31.6 | -34.8 | 0 | 0 | 0 | 113 | ||
| 373 | I | 46.2 | Very low | 43.4 | Very low | 163 Ų | 163 | 127.3 Ų | 127.3 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 123.8 | 178.8 | -59.8 | 168.4 | 0 | 0 | 0 | 109.7 | ||
| 374 | T | 45.1 | Very low | 42.7 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 130 | 171.9 | 45.4 | 0 | 0 | 0 | 0 | 112 | ||
| 375 | P | 50.9 | Low | 42.1 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 149.4 | 170.8 | 33.4 | -33.5 | 0 | 0 | 0 | 112.5 | ||
| 376 | P | 44 | Very low | 42 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 163.6 | 178 | 33.8 | -35.6 | 0 | 0 | 0 | 113.5 | ||
| 377 | P | 47.3 | Very low | 41.6 | Very low | 121 Ų | 121 | 129.5 Ų | 129.5 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -104.8 | 138.4 | -169.1 | 14.5 | 6.4 | 0 | 0 | 0 | 115.3 | ||||
| 378 | G | 34.5 | Very low | 41.9 | Very low | 64 Ų | 64 | 130.1 Ų | 130.1 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | trans | 95.8 | 152.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 379 | H | 35.9 | Very low | 41.7 | Very low | 173 Ų | 173 | 132.4 Ų | 132.4 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | cis | -149.7 | 135.1 | 14.9 | -33.9 | -83.4 | 0 | 0 | 0 | 113.4 | ||||
| 380 | I | 40 | Very low | 41.8 | Very low | 158 Ų | 158 | 135.3 Ų | 135.3 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | 60.5 | 102.1 | 134.3 | -52.9 | 167.6 | 0 | 0 | 0 | 121 | ||||
| 381 | M | 36.4 | Very low | 41.9 | Very low | 161 Ų | 161 | 135 Ų | 135 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | 64.9 | 118.8 | 128.6 | -156.7 | 66.6 | 66.1 | 0 | 0 | 122.8 | |||||
| 382 | G | 34.3 | Very low | 42 | Very low | 78 Ų | 78 | 135.1 Ų | 135.1 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -160.5 | 84.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 383 | Q | 37.1 | Very low | 42 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 73% | 0.729 | 77% | 0.773 | S | S | * | * | trans | -32.7 | 137.7 | -178.1 | -66.5 | -83.5 | 9.7 | 0 | 0 | 118.3 | ||||
| 384 | I | 34.5 | Very low | 42.1 | Very low | 165 Ų | 165 | 130.7 Ų | 130.7 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -177.2 | 142 | 135.4 | -92.3 | 149.4 | 0 | 0 | 0 | 107.9 | ||||
| 385 | P | 41.8 | Very low | 42.6 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | trans | -95.6 | 152.3 | -140.9 | 34.7 | -36.6 | 0 | 0 | 0 | 116.8 | ||||
| 386 | P | 43.9 | Very low | 42.3 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | trans | -90.5 | 120.7 | 168.5 | 34.3 | -29.4 | 0 | 0 | 0 | 111.6 | ||||
| 387 | Y | 38.8 | Very low | 42.3 | Very low | 209 Ų | 209 | 130 Ų | 130 | 82% | 0.82 | 76% | 0.764 | S | S | * | * | trans | -137.8 | 96.6 | 158.2 | -102.8 | -83.1 | 0 | 0 | 0 | 109.6 | ||||
| 388 | I | 42.5 | Very low | 42 | Very low | 136 Ų | 136 | 133.2 Ų | 133.2 | 70% | 0.697 | 77% | 0.768 | S | S | * | * | trans | -157.3 | 115.9 | 148.7 | -95.9 | 145.3 | 0 | 0 | 0 | 104.6 | H390 | I388-H390 WeakPolarHBondContact CG2-CE1 3.08Š| ||
| 389 | N | 34.9 | Very low | 42.2 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | -82.5 | 119.3 | 178.2 | -79.5 | -75.6 | 0 | 0 | 0 | 109.1 | ||||
| 390 | H | 42.8 | Very low | 42.3 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -104.4 | 119.9 | 161.5 | -38 | -81.6 | 0 | 0 | 0 | 107.4 | I388 | I388-H390 WeakPolarHBondContact CG2-CE1 3.08Š| ||
| 391 | P | 50.1 | Low | 42.1 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 142 | 167.5 | 29.8 | -32.3 | 0 | 0 | 0 | 109.5 | ||
| 392 | P | 52.6 | Low | 42.3 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 150.6 | 177.7 | 29.3 | -34.7 | 0 | 0 | 0 | 111.5 | G394 | P392-G394 PolarHBondContact O-N 3.33Š|
| 393 | P | 48.9 | Very low | 42.8 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 131 | 176.5 | 27.9 | -33.6 | 0 | 0 | 0 | 111.2 | ||
| 394 | G | 47.6 | Very low | 42.9 | Very low | 66 Ų | 66 | 132.2 Ų | 132.2 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 166.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | P392 | P392-G394 PolarHBondContact O-N 3.33Š|
| 395 | P | 56.5 | Low | 43.3 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -70 | 159.2 | 178.7 | 30.3 | -35.5 | 0 | 0 | 0 | 112.8 | ||
| 396 | P | 44.4 | Very low | 43.1 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 150.1 | -173.3 | 29.5 | -36 | 0 | 0 | 0 | 113.3 | ||
| 397 | P | 44.4 | Very low | 43.1 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 129.8 | -179.4 | -9.4 | 26.1 | 0 | 0 | 0 | 112.5 | H399 | P397-H399 PolarHBondContact O-N 3.13Š|
| 398 | Q | 40.9 | Very low | 43.5 | Very low | 187 Ų | 187 | 126.8 Ų | 126.8 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -78.5 | 105.7 | 165.7 | -70.3 | -72.4 | -3.7 | 0 | 0 | 109.4 | ||||
| 399 | H | 38.7 | Very low | 43.6 | Very low | 181 Ų | 181 | 125.8 Ų | 125.8 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | -82.2 | 117.1 | 175.2 | -101.3 | -94.2 | 0 | 0 | 0 | 111.2 | P397 | P397-H399 PolarHBondContact O-N 3.13Š| ||
| 400 | S | 38 | Very low | 44 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -137 | 105.3 | 164.9 | 51 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 401 | G | 36 | Very low | 43.9 | Very low | 68 Ų | 68 | 129.3 Ų | 129.3 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | -176.3 | 140.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 402 | P | 39.8 | Very low | 43.1 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -83.4 | 170.7 | -168.1 | 35.1 | -37.4 | 0 | 0 | 0 | 114.2 | ||||
| 403 | P | 44.1 | Very low | 42.4 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -87.1 | 148.6 | -153 | 33.8 | -36.1 | 0 | 0 | 0 | 114.9 | ||||
| 404 | V | 39.5 | Very low | 41.9 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 87% | 0.873 | 79% | 0.789 | S | S | * | * | trans | -114.2 | 134.2 | 160.5 | -69 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 405 | N | 42.6 | Very low | 41.7 | Very low | 172 Ų | 172 | 134.9 Ų | 134.9 | 92% | 0.92 | 79% | 0.789 | S | S | * | * | trans | -90.6 | 119.6 | -167.2 | -156.8 | 2.9 | 0 | 0 | 0 | 110.1 | ||||
| 406 | A | 38.4 | Very low | 40.8 | Very low | 84 Ų | 84 | 133.8 Ų | 133.8 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | trans | -144.8 | 136.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 407 | P | 44.7 | Very low | 40.5 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 152.8 | -169.3 | 30 | -35.5 | 0 | 0 | 0 | 113.4 | ||
| 408 | P | 46.9 | Very low | 40.3 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 144.6 | -175.4 | 30 | -35.4 | 0 | 0 | 0 | 112.9 | ||
| 409 | P | 43.8 | Very low | 40.2 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 132.8 | 175.7 | 29.1 | -33.6 | 0 | 0 | 0 | 111.4 | H411 | P409-H411 PolarHBondContact O-N 3.46Š|
| 410 | H | 43.3 | Very low | 39.8 | Very low | 188 Ų | 188 | 137.2 Ų | 137.2 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 131 | -173.3 | -66 | -87.9 | 0 | 0 | 0 | 113.6 | Y412 | H410-Y412 PolarHBondContact O-N 2.97Š|
| 411 | H | 40.3 | Very low | 39.4 | Very low | 190 Ų | 190 | 136.1 Ų | 136.1 | 88% | 0.88 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 119.9 | 166.5 | -61.7 | -11.4 | 0 | 0 | 0 | 109.8 | P409 N413 | P409-H411 PolarHBondContact O-N 3.46Å; H411-N413 PolarHBondContact O-N 2.95Å |
| 412 | Y | 34.4 | Very low | 39.3 | Very low | 218 Ų | 218 | 141.4 Ų | 141.4 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | -85.4 | 112.6 | 177 | -162.9 | -95.1 | 0 | 0 | 0 | 110.7 | H410 | H410-Y412 PolarHBondContact O-N 2.97Š| ||
| 413 | N | 36.9 | Very low | 39.2 | Very low | 118 Ų | 118 | 142.2 Ų | 142.2 | 63% | 0.631 | 78% | 0.776 | S | S | * | * | trans | -105 | 117.8 | 177.4 | 179.3 | 4.2 | 0 | 0 | 0 | 109.7 | H411 S415 | H411-N413 PolarHBondContact O-N 2.95Å; N413-S415 VanDerWaalsContact C-N 3.26Å; N413-S415 PolarHBondContact O-N 3.33Å | ||
| 414 | P | 39.6 | Very low | 38.7 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -85 | 51.9 | -173.3 | 36.4 | -37.2 | 0 | 0 | 0 | 112.8 | ||
| 415 | S | 42.5 | Very low | 38.3 | Very low | 99 Ų | 99 | 140.8 Ų | 140.8 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | trans | -153.7 | 57.3 | -175.6 | -72.6 | 0 | 0 | 0 | 0 | 115.6 | N413 | N413-S415 VanDerWaalsContact C-N 3.26Å; N413-S415 PolarHBondContact O-N 3.33Å | ||
| 416 | S | 38.1 | Very low | 38.2 | Very low | 100 Ų | 100 | 139 Ų | 139 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | -175.8 | 129.3 | 163.9 | 51 | 0 | 0 | 0 | 0 | 107 | ||||
| 417 | M | 37 | Very low | 38 | Very low | 154 Ų | 154 | 142.8 Ų | 142.8 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | cis | -143.3 | 145.5 | 31.9 | -56.1 | -84.9 | -102.1 | 0 | 0 | 107.7 | ||||
| 418 | Q | 40.2 | Very low | 37.7 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | 52.1 | 89 | 68.1 | -79.7 | -174.2 | -11.2 | 0 | 0 | 116.7 | |||||
| 419 | Q | 40 | Very low | 37.8 | Very low | 163 Ų | 163 | 143 Ų | 143 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | 59 | 108.8 | 113.9 | -169.8 | 176 | -20.5 | 0 | 0 | 120 | |||||
| 420 | F | 28.9 | Very low | 38.3 | Very low | 191 Ų | 191 | 143.3 Ų | 143.3 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | trans | -140.2 | 153 | 158.3 | -58.2 | -79.2 | 0 | 0 | 0 | 110 | ||||
| 421 | S | 30.4 | Very low | 37.7 | Very low | 99 Ų | 99 | 142.8 Ų | 142.8 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | -121.2 | 164.2 | -164.2 | -54.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 422 | E | 33.5 | Very low | 37.4 | Very low | 180 Ų | 180 | 139.2 Ų | 139.2 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | trans | 41.3 | 121.9 | 152.8 | -108 | 92 | 103.3 | 0 | 0 | 123.1 | ||||
| 423 | D | 38.1 | Very low | 37.7 | Very low | 143 Ų | 143 | 135.7 Ų | 135.7 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | trans | 76.9 | 152.8 | 131.3 | -157.4 | -126 | 0 | 0 | 0 | 122.9 | ||||
| 424 | Q | 33.8 | Very low | 37.8 | Very low | 181 Ų | 181 | 135.9 Ų | 135.9 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | 72.1 | 137.7 | -174.5 | -53.9 | 178.7 | 21.2 | 0 | 0 | 115.8 | ||||
| 425 | G | 30.7 | Very low | 37.3 | Very low | 61 Ų | 61 | 134.1 Ų | 134.1 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | cis | 166.4 | 126 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 426 | T | 40.6 | Very low | 37 | Very low | 135 Ų | 135 | 133 Ų | 133 | 83% | 0.828 | 77% | 0.772 | S | S | * | * | trans | 65.8 | 154.1 | 156.4 | 72 | 0 | 0 | 0 | 0 | 122 | ||||
| 427 | L | 34.6 | Very low | 37.1 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | 85.2 | 102.8 | 158.5 | -50.3 | -174.3 | 0 | 0 | 0 | 121.5 | ||||
| 428 | S | 37.8 | Very low | 37.1 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -67.5 | 161.9 | 149.3 | -35.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 429 | P | 49.2 | Very low | 37.5 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | -157.5 | -173.8 | 102.1 | 40.2 | -21.6 | 0 | 0 | 0 | 114.7 | |||||
| 430 | P | 54.2 | Low | 37 | Very low | 121 Ų | 121 | 129 Ų | 129 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | cis | -124.2 | 171.4 | -34.4 | 28 | -9.2 | 0 | 0 | 0 | 113.5 | ||||
| 431 | F | 30.2 | Very low | 37.4 | Very low | 178 Ų | 178 | 128.6 Ų | 128.6 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | -87.1 | 142.3 | 175 | -171.6 | -100.4 | 0 | 0 | 0 | 111.5 | Q433 | F431-Q433 HydrophobicContact CD1-CG 4.39Å; F431-Q433 HydrophobicContact CE1-CB 3.9Å; F431-Q433 HydrophobicContact CE1-CG 3.54Å; F431-Q433 HydrophobicContact CE2-CG 4.39Å; F431-Q433 HydrophobicContact CZ-CB 4.41Å; F431-Q433 HydrophobicContact CZ-CG 3.55Å | ||
| 432 | S | 35.3 | Very low | 37.9 | Very low | 115 Ų | 115 | 136 Ų | 136 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -141.9 | 105.3 | 168.7 | -72 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 433 | Q | 39.7 | Very low | 38.5 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 67% | 0.668 | 80% | 0.801 | S | S | * | * | trans | -112.8 | 146.4 | 165.5 | -79.7 | -95 | -55 | 0 | 0 | 108.5 | F431 | F431-Q433 HydrophobicContact CD1-CG 4.39Å; F431-Q433 HydrophobicContact CE1-CB 3.9Å; F431-Q433 HydrophobicContact CE1-CG 3.54Å; F431-Q433 HydrophobicContact CE2-CG 4.39Å; F431-Q433 HydrophobicContact CZ-CB 4.41Å; F431-Q433 HydrophobicContact CZ-CG 3.55Å | ||
| 434 | P | 38.9 | Very low | 38.6 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | -110.3 | 148.6 | 131 | -10.5 | 29.1 | 0 | 0 | 0 | 111 | ||||
| 435 | G | 29.6 | Very low | 39.4 | Very low | 74 Ų | 74 | 128.4 Ų | 128.4 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | -65.4 | 172.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 436 | G | 37 | Very low | 39.7 | Very low | 74 Ų | 74 | 137.7 Ų | 137.7 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | cis | 112.8 | 80.8 | 18.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 437 | L | 38.6 | Very low | 39.9 | Very low | 176 Ų | 176 | 134.4 Ų | 134.4 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -139.8 | 151.5 | 168.4 | -74 | -180 | 0 | 0 | 0 | 110.4 | ||||
| 438 | S | 37.6 | Very low | 40.8 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -83 | 171.8 | -162.8 | -80.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 439 | P | 48.1 | Very low | 41.4 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -86.7 | 150.3 | -157.9 | 34.4 | -35.4 | 0 | 0 | 0 | 114.2 | ||||
| 440 | G | 30.5 | Very low | 41.5 | Very low | 67 Ų | 67 | 133.3 Ų | 133.3 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | trans | -164.9 | 133 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 441 | M | 37.7 | Very low | 40.9 | Very low | 183 Ų | 183 | 138.8 Ų | 138.8 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | trans | 64.4 | 90.2 | 147.7 | -62.9 | 156.2 | 57.2 | 0 | 0 | 119 | ||||
| 442 | W | 40.3 | Very low | 41.5 | Very low | 255 Ų | 255 | 138.5 Ų | 138.5 | 97% | 0.966 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 125.1 | 147.8 | -67.7 | 94.4 | 0 | 0 | 0 | 109.6 | ||
| 443 | P | 47.1 | Very low | 41.8 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 81% | 0.805 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 125.6 | 174.7 | -16 | 31.2 | 0 | 0 | 0 | 111.9 | ||
| 444 | A | 40 | Very low | 42 | Very low | 90 Ų | 90 | 139 Ų | 139 | 74% | 0.744 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 131.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 445 | P | 48.9 | Very low | 42.5 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 117.5 | 165.6 | -6.7 | 24.7 | 0 | 0 | 0 | 110.1 | ||
| 446 | R | 38 | Very low | 43.9 | Very low | 255 Ų | 255 | 141.4 Ų | 141.4 | 96% | 0.962 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 135.7 | 168.3 | -73.6 | -179.9 | 174.9 | 171 | -1.6 | 110.2 | ||
| 447 | G | 43.8 | Very low | 44.6 | Very low | 66 Ų | 66 | 144 Ų | 144 | 68% | 0.68 | 83% | 0.831 | S | S | * | * | trans | -146.8 | 138.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 448 | P | 55.3 | Low | 44.7 | Very low | 126 Ų | 126 | 145 Ų | 145 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 162 | -175.3 | 32.9 | -35.5 | 0 | 0 | 0 | 113.7 | ||
| 449 | P | 49.6 | Very low | 44.8 | Very low | 119 Ų | 119 | 143 Ų | 143 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 145.6 | -169.8 | 34.3 | -34.8 | 0 | 0 | 0 | 113.8 | ||
| 450 | P | 50.6 | Low | 44.2 | Very low | 131 Ų | 131 | 145.1 Ų | 145.1 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 137.9 | 165.8 | 32 | -31.6 | 0 | 0 | 0 | 111.7 | ||
| 451 | R | 42.9 | Very low | 44.3 | Very low | 236 Ų | 236 | 149.6 Ų | 149.6 | 89% | 0.891 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 139.3 | -176.7 | -165.4 | 174.9 | 89.6 | 168.7 | 6.8 | 111.9 | ||
| 452 | M | 41.9 | Very low | 44.6 | Very low | 171 Ų | 171 | 146 Ų | 146 | 84% | 0.842 | 82% | 0.824 | S | S | * | * | trans | -13.7 | 127.2 | 167 | -62.9 | -79.6 | 95 | 0 | 0 | 117.7 | ||||
| 453 | Q | 40.8 | Very low | 44.5 | Very low | 199 Ų | 199 | 136.4 Ų | 136.4 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | trans | -133.1 | 138.5 | 146.7 | -69 | -168 | 42.5 | 0 | 0 | 109.1 | ||||
| 454 | G | 44.4 | Very low | 44.3 | Very low | 69 Ų | 69 | 137 Ų | 137 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | trans | -88.5 | -176 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 455 | P | 50.6 | Low | 44.3 | Very low | 128 Ų | 128 | 141.4 Ų | 141.4 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 145.2 | -179.1 | 30.1 | -34.8 | 0 | 0 | 0 | 112.5 | ||
| 456 | P | 57.8 | Low | 43.7 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 159.9 | 174.6 | 30.4 | -34.4 | 0 | 0 | 0 | 112.7 | ||
| 457 | P | 51.2 | Low | 44.1 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 169.4 | -162.4 | 33.8 | -37.8 | 0 | 0 | 0 | 115.4 | G459 | P457-G459 PolarHBondContact O-N 3.46Š|
| 458 | Q | 42.5 | Very low | 43.7 | Very low | 197 Ų | 197 | 138.9 Ų | 138.9 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 122.9 | 179.5 | -64.5 | 174.8 | -74.1 | 0 | 0 | 113.3 | ||
| 459 | G | 37.8 | Very low | 42.9 | Very low | 77 Ų | 77 | 141.1 Ų | 141.1 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -90 | 140.9 | 153.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | P457 | P457-G459 PolarHBondContact O-N 3.46Š|
| 460 | Q | 36.2 | Very low | 42.1 | Very low | 175 Ų | 175 | 140.7 Ų | 140.7 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 166.3 | -174.5 | -59.2 | -179.8 | 16.2 | 0 | 0 | 113.5 | ||
| 461 | M | 33.6 | Very low | 41.8 | Very low | 161 Ų | 161 | 145.7 Ų | 145.7 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | trans | 80 | 152.1 | 160.3 | -46.5 | -56.5 | -89.5 | 0 | 0 | 118.3 | ||||
| 462 | P | 44 | Very low | 41.4 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | cis | -127 | 177.4 | -42.4 | 34.7 | -18.7 | 0 | 0 | 0 | 112.7 | ||||
| 463 | G | 38.5 | Very low | 41.6 | Very low | 53 Ų | 53 | 144.8 Ų | 144.8 | 55% | 0.546 | 79% | 0.785 | S | S | . | * | trans | -75.6 | -178.4 | -167.4 | 0 | 0 | 0 | 0 | 0 | 118 | H465 | G463-H465 PolarHBondContact O-N 3.39Š| ||
| 464 | P | 42.4 | Very low | 42 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 120.2 | -168.5 | 30.1 | -35.1 | 0 | 0 | 0 | 113.6 | ||
| 465 | H | 38.4 | Very low | 41.7 | Very low | 181 Ų | 181 | 146 Ų | 146 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 117.8 | 171.9 | -74.6 | -92.8 | 0 | 0 | 0 | 111.9 | G463 | G463-H465 PolarHBondContact O-N 3.39Š|
| 466 | H | 36.6 | Very low | 41.3 | Very low | 159 Ų | 159 | 150.3 Ų | 150.3 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -99 | 170.6 | 152.8 | -145.1 | -128.1 | 0 | 0 | 0 | 106.9 | ||
| 467 | P | 46.6 | Very low | 40.3 | Very low | 101 Ų | 101 | 156.4 Ų | 156.4 | 66% | 0.656 | 80% | 0.796 | S | S | * | * | trans | -101.5 | -156.5 | -134.3 | 21.3 | 6 | 0 | 0 | 0 | 109.7 | ||||
| 468 | D | 35.7 | Very low | 39.8 | Very low | 139 Ų | 139 | 157.8 Ų | 157.8 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | trans | 76.4 | 89.4 | 175.5 | -145.9 | -72.6 | 0 | 0 | 0 | 114.5 | ||||
| 469 | Q | 37.9 | Very low | 39.7 | Very low | 174 Ų | 174 | 155.7 Ų | 155.7 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | -160.1 | 125.7 | 106.8 | -109.4 | 174.5 | 87.3 | 0 | 0 | 112.3 | |||||
| 470 | S | 33.5 | Very low | 39.8 | Very low | 110 Ų | 110 | 160.1 Ų | 160.1 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -69.1 | 123.1 | 169.8 | 49.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 471 | R | 45.1 | Very low | 40 | Very low | 236 Ų | 236 | 159.2 Ų | 159.2 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | trans | -127 | 101.8 | 152.3 | -79.4 | -159.1 | -166.5 | 162.2 | 6.3 | 111.7 | ||||
| 472 | Y | 34.3 | Very low | 40.4 | Very low | 229 Ų | 229 | 159.1 Ų | 159.1 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | trans | 15.7 | 138.2 | 141.5 | -135.6 | -104.3 | 0 | 0 | 0 | 121.8 | ||||
| 473 | R | 45.4 | Very low | 40.1 | Very low | 158 Ų | 158 | 162.5 Ų | 162.5 | 60% | 0.596 | 79% | 0.791 | S | S | * | * | trans | -49.5 | 162.2 | 171.6 | -104.8 | -171.1 | 179.2 | -151.2 | 1 | 116.3 | Y475 | R473-Y475 VanDerWaalsContact NH1-CD1 3.32Å; R473-Y475 VanDerWaalsContact NH1-CD2 3.3Å | ||
| 474 | P | 48.6 | Very low | 40.2 | Very low | 123 Ų | 123 | 170.3 Ų | 170.3 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | -117.8 | 142.1 | 83.7 | 35.3 | -30.9 | 0 | 0 | 0 | 111.9 | |||||
| 475 | Y | 38.7 | Very low | 40.1 | Very low | 170 Ų | 170 | 172.8 Ų | 172.8 | 67% | 0.667 | 80% | 0.802 | S | S | * | * | 61.1 | 124.9 | 67 | -95.6 | -68.1 | 0 | 0 | 0 | 115 | R473 | R473-Y475 VanDerWaalsContact NH1-CD1 3.32Å; R473-Y475 VanDerWaalsContact NH1-CD2 3.3Å | |||
| 476 | Y | 42.5 | Very low | 40.2 | Very low | 220 Ų | 220 | 172.2 Ų | 172.2 | 86% | 0.863 | 80% | 0.799 | S | S | * | * | trans | 71.8 | 100.4 | -175.2 | -70.5 | -82.4 | 0 | 0 | 0 | 117.9 | ||||
| 477 | Q | 37.6 | Very low | 40.5 | Very low | 247 Ų | 247 | 173.4 Ų | 173.4 | 100% | 1.154 | 80% | 0.804 | S | S | * | * | -148.4 | 0 | 98.5 | -165.4 | 69.7 | 88.6 | 0 | 0 | 109.3 |
Retrieved 477 of 477 residues in 406.2 ms
(Link to these results)