| 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 | 46.1 | Very low | 45.6 | Very low | 255 Ų | 255 | 158.1 Ų | 158.1 | 100% | 1.256 | 87% | 0.867 | S | S | * | * | 0 | 130.8 | 0 | -65.7 | 174.3 | -176.9 | 0 | 0 | 106.7 | |||||
| 2 | G | 47 | Very low | 45.3 | Very low | 80 Ų | 80 | 158.3 Ų | 158.3 | 83% | 0.825 | 86% | 0.857 | S | S | * | * | trans | 166.8 | 44.7 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 3 | T | 50.3 | Low | 44.2 | Very low | 129 Ų | 129 | 159.5 Ų | 159.5 | 79% | 0.791 | 86% | 0.857 | S | S | * | * | trans | -133.7 | 158.5 | 169.8 | 45 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 4 | T | 50.2 | Low | 43.5 | Very low | 135 Ų | 135 | 159.9 Ų | 159.9 | 83% | 0.828 | 85% | 0.85 | S | S | * | * | S | Bend | trans | 76.7 | 51.5 | 179.7 | 82.6 | 0 | 0 | 0 | 0 | 118.9 | ||
| 5 | E | 49.8 | Very low | 43 | Very low | 162 Ų | 162 | 158 Ų | 158 | 76% | 0.757 | 85% | 0.847 | S | S | * | * | S | Bend | trans | -140.3 | 14.2 | 159.9 | -140.5 | -162.5 | 133 | 0 | 0 | 115.9 | R9 | E5-R9 IonicContact OE1-NH1 2.85Š|
| 6 | A | 43.8 | Very low | 42.2 | Very low | 102 Ų | 102 | 158.4 Ų | 158.4 | 84% | 0.843 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -115.2 | 5.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 7 | T | 41.6 | Very low | 41.7 | Very low | 131 Ų | 131 | 158.2 Ų | 158.2 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -123.5 | 4 | -171.1 | -42.8 | 0 | 0 | 0 | 0 | 113.6 | ||
| 8 | L | 41.3 | Very low | 41.4 | Very low | 160 Ų | 160 | 157.3 Ų | 157.3 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -117.6 | 41.5 | -177.3 | -72.1 | 173 | 0 | 0 | 0 | 113.3 | ||
| 9 | R | 49 | Very low | 41.2 | Very low | 209 Ų | 209 | 162.7 Ų | 162.7 | 79% | 0.789 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -136.1 | 26.7 | 175.3 | -77.6 | -166.5 | 170.5 | 103.5 | 0.5 | 114.3 | E5 | E5-R9 IonicContact OE1-NH1 2.85Š|
| 10 | M | 39.3 | Very low | 40.7 | Very low | 198 Ų | 198 | 163.2 Ų | 163.2 | 98% | 0.975 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -132.3 | 29.2 | 172.1 | -102.3 | -172.8 | -75.2 | 0 | 0 | 113 | ||
| 11 | E | 43.3 | Very low | 40.5 | Very low | 178 Ų | 178 | 161.5 Ų | 161.5 | 83% | 0.832 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -128.5 | 142.3 | 165.9 | -151.8 | 168 | -154.8 | 0 | 0 | 106.5 | ||
| 12 | H | 41.4 | Very low | 40.1 | Very low | 161 Ų | 161 | 157.5 Ų | 157.5 | 75% | 0.745 | 81% | 0.806 | S | S | * | * | trans | 77.3 | 64.8 | -173 | -144.6 | -59.5 | 0 | 0 | 0 | 117.8 | E14 | H12-E14 IonicContact CE1-OE2 3.96Å; H12-E14 PolarHBondContact CE1-OE2 2.94Å | ||
| 13 | M | 31.2 | Very low | 39.7 | Very low | 174 Ų | 174 | 160.4 Ų | 160.4 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | trans | -129.8 | 87.9 | 149.3 | -162.5 | 162.8 | 77.5 | 0 | 0 | 109.8 | V15 | M13-V15 PolarHBondContact O-N 3.42Š| ||
| 14 | E | 35.3 | Very low | 39.2 | Very low | 164 Ų | 164 | 164 Ų | 164 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | trans | -62.3 | 121.3 | 169.4 | -69.5 | 171.6 | 116.1 | 0 | 0 | 109.4 | H12 | H12-E14 IonicContact CE1-OE2 3.96Å; H12-E14 PolarHBondContact CE1-OE2 2.94Å | ||
| 15 | V | 35.3 | Very low | 39.1 | Very low | 132 Ų | 132 | 163.4 Ų | 163.4 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | trans | -93.1 | 110.4 | 167.4 | -179.9 | 0 | 0 | 0 | 0 | 107.3 | M13 | M13-V15 PolarHBondContact O-N 3.42Š| ||
| 16 | K | 30.5 | Very low | 38.8 | Very low | 164 Ų | 164 | 166.7 Ų | 166.7 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | trans | -67.7 | 134.5 | -177.7 | 178.6 | -172.1 | 169.6 | -146.9 | 0 | 111.6 | E18 | K16-E18 IonicContact NZ-OE1 2.77Å; K16-E18 PolarHBondContact NZ-OE1 2.94Å; K16-E18 PolarHBondContact O-N 3.43Å | ||
| 17 | D | 33.2 | Very low | 38.8 | Very low | 156 Ų | 156 | 168 Ų | 168 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | -61.4 | 121.4 | 172.1 | -67.8 | -71.7 | 0 | 0 | 0 | 113.2 | ||||
| 18 | E | 36.2 | Very low | 38.7 | Very low | 142 Ų | 142 | 169.6 Ų | 169.6 | 66% | 0.664 | 82% | 0.815 | S | S | * | * | trans | -150.7 | 96.7 | 151.4 | -68 | -174.4 | -175.8 | 0 | 0 | 108.1 | K16 | K16-E18 IonicContact NZ-OE1 2.77Å; K16-E18 PolarHBondContact NZ-OE1 2.94Å; K16-E18 PolarHBondContact O-N 3.43Å | ||
| 19 | W | 39 | Very low | 38.7 | Very low | 259 Ų | 259 | 166.4 Ų | 166.4 | 98% | 0.981 | 80% | 0.803 | S | S | * | * | trans | -177.2 | 62.5 | 152.4 | -76.2 | 123.5 | 0 | 0 | 0 | 111.5 | ||||
| 20 | Q | 31.3 | Very low | 38.5 | Very low | 173 Ų | 173 | 165.6 Ų | 165.6 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | trans | -106.2 | 149.4 | 143 | -82.1 | 178.3 | 4.8 | 0 | 0 | 105.4 | ||||
| 21 | D | 36.4 | Very low | 38.6 | Very low | 128 Ų | 128 | 166.2 Ų | 166.2 | 68% | 0.684 | 80% | 0.801 | S | S | * | * | cis | -151.4 | 163.9 | -15.7 | -91.3 | -40.6 | 0 | 0 | 0 | 104.3 | ||||
| 22 | E | 36.9 | Very low | 38.2 | Very low | 170 Ų | 170 | 161 Ų | 161 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -170.8 | 128.5 | 141.7 | -87.8 | -44.1 | 61.5 | 0 | 0 | 110.4 | ||||
| 23 | D | 38.8 | Very low | 38.1 | Very low | 142 Ų | 142 | 160.6 Ų | 160.6 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | 54.3 | 79.4 | 155.6 | -69 | -25.2 | 0 | 0 | 0 | 121.6 | ||||
| 24 | F | 40.3 | Very low | 38.7 | Very low | 203 Ų | 203 | 160.8 Ų | 160.8 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 122.8 | 137.3 | -94 | -91.7 | 0 | 0 | 0 | 110.1 | R26 | F24-R26 PolarHBondContact O-N 2.89Š|
| 25 | P | 46.6 | Very low | 38.6 | Very low | 123 Ų | 123 | 159.8 Ų | 159.8 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -69 | 127.4 | 177.5 | 27.1 | -32.9 | 0 | 0 | 0 | 111.3 | ||
| 26 | R | 44.6 | Very low | 38.6 | Very low | 231 Ų | 231 | 159.5 Ų | 159.5 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 149.9 | 176.5 | -61 | -175.4 | -173.3 | -160.9 | 1.7 | 111.3 | F24 | F24-R26 PolarHBondContact O-N 2.89Š|
| 27 | P | 42.9 | Very low | 38.6 | Very low | 130 Ų | 130 | 157.1 Ų | 157.1 | 84% | 0.844 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 140.3 | 171.3 | -19.1 | 31.9 | 0 | 0 | 0 | 111.7 | ||
| 28 | L | 40 | Very low | 38.6 | Very low | 165 Ų | 165 | 156.3 Ų | 156.3 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 155.8 | 171.7 | -79.6 | 174.6 | 0 | 0 | 0 | 111.4 | ||
| 29 | P | 42.4 | Very low | 38.3 | Very low | 92 Ų | 92 | 153 Ų | 153 | 60% | 0.597 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 154.8 | -157.5 | 31.3 | -36.2 | 0 | 0 | 0 | 115.4 | Y31 | P29-Y31 HydrophobicContact CG-CD2 4.32Å; P29-Y31 HydrophobicContact CG-CE2 3.84Å |
| 30 | E | 44.6 | Very low | 38 | Very low | 193 Ų | 193 | 149.2 Ų | 149.2 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -62 | 128.5 | 168.8 | -177.6 | 176 | -157.2 | 0 | 0 | 111.3 | ||
| 31 | Y | 41.4 | Very low | 38.2 | Very low | 210 Ų | 210 | 147.3 Ų | 147.3 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | trans | -130.9 | 118.4 | 172.4 | -87.9 | -74.6 | 0 | 0 | 0 | 111.9 | P29 | P29-Y31 HydrophobicContact CG-CD2 4.32Å; P29-Y31 HydrophobicContact CG-CE2 3.84Å | ||
| 32 | G | 35.1 | Very low | 37.9 | Very low | 68 Ų | 68 | 147.5 Ų | 147.5 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | trans | 1.2 | 117 | 155.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 33 | D | 39 | Very low | 37.7 | Very low | 153 Ų | 153 | 145.3 Ų | 145.3 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | 23.2 | 116.4 | 112.3 | -146.1 | 19.4 | 0 | 0 | 0 | 117.7 | |||||
| 34 | M | 42.8 | Very low | 37.5 | Very low | 179 Ų | 179 | 150.2 Ų | 150.2 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | trans | -159.5 | 126.4 | 153.9 | -106.5 | -67.5 | 150.2 | 0 | 0 | 110 | ||||
| 35 | D | 33.8 | Very low | 37.2 | Very low | 143 Ų | 143 | 147 Ų | 147 | 77% | 0.765 | 81% | 0.814 | S | S | * | * | trans | -61.1 | 151.2 | -178.8 | -68 | -72 | 0 | 0 | 0 | 114.3 | ||||
| 36 | S | 34.1 | Very low | 37.1 | Very low | 125 Ų | 125 | 146 Ų | 146 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -157.3 | 126.9 | 132.5 | -85.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 37 | S | 31.6 | Very low | 37.1 | Very low | 114 Ų | 114 | 140.9 Ų | 140.9 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -70.8 | 147.8 | 179.1 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 38 | C | 32 | Very low | 37.1 | Very low | 139 Ų | 139 | 140.8 Ų | 140.8 | 94% | 0.939 | 81% | 0.806 | S | S | * | * | trans | -170 | 143 | 142.5 | -102.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 39 | G | 29.9 | Very low | 36.7 | Very low | 73 Ų | 73 | 140.4 Ų | 140.4 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | 96.5 | 72.6 | 147.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 40 | L | 33.5 | Very low | 36.4 | Very low | 179 Ų | 179 | 141.7 Ų | 141.7 | 94% | 0.937 | 82% | 0.816 | S | S | * | * | trans | -79.1 | 107.9 | 158 | -96.2 | 157.9 | 0 | 0 | 0 | 111.1 | ||||
| 41 | T | 36.1 | Very low | 35.8 | Very low | 134 Ų | 134 | 140.8 Ų | 140.8 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | trans | -176.1 | 148.1 | 154.6 | 44.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 42 | D | 30.3 | Very low | 35.3 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | cis | -167 | 168.4 | -17 | -173.2 | 16.2 | 0 | 0 | 0 | 107.3 | ||||
| 43 | N | 32.5 | Very low | 35.3 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 66% | 0.658 | 82% | 0.818 | S | S | * | * | trans | 63 | 106.7 | 163.4 | -66 | -53.6 | 0 | 0 | 0 | 121.1 | ||||
| 44 | R | 34.7 | Very low | 35.3 | Very low | 246 Ų | 246 | 138.4 Ų | 138.4 | 93% | 0.928 | 81% | 0.807 | S | S | * | * | trans | -60.9 | 134.7 | 145.7 | -72.6 | 169.6 | 161.7 | 163.5 | -6.4 | 110.6 | ||||
| 45 | V | 33.9 | Very low | 35.3 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -139.8 | 126.6 | 156.5 | -173.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 46 | S | 43 | Very low | 36 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 152.1 | 174.5 | -50.5 | 0 | 0 | 0 | 0 | 111.6 | ||
| 47 | P | 44.4 | Very low | 36 | Very low | 125 Ų | 125 | 133 Ų | 133 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 134 | 176.3 | 29.6 | -33.9 | 0 | 0 | 0 | 111.4 | ||
| 48 | P | 44 | Very low | 36 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 138.5 | 176.6 | 32.3 | -32.9 | 0 | 0 | 0 | 112 | ||
| 49 | N | 31.8 | Very low | 36.1 | Very low | 158 Ų | 158 | 128.9 Ų | 128.9 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 164.7 | 167.7 | -96.5 | -28.9 | 0 | 0 | 0 | 111.7 | ||
| 50 | S | 35.9 | Very low | 36.2 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | 82.6 | 118.4 | 166.7 | 75.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 51 | L | 32.7 | Very low | 36.1 | Very low | 174 Ų | 174 | 124.8 Ų | 124.8 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -82.7 | 128.5 | 164.9 | -84.4 | 154.4 | 0 | 0 | 0 | 109.4 | ||||
| 52 | H | 31 | Very low | 36 | Very low | 164 Ų | 164 | 126 Ų | 126 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | trans | -111.3 | 114.6 | 175.6 | -179.4 | -106.4 | 0 | 0 | 0 | 109.8 | S54 | H52-S54 PolarHBondContact CE1-OG 2.77Å; H52-S54 PolarHBondContact ND1-OG 3.38Å | ||
| 53 | V | 35 | Very low | 36.2 | Very low | 133 Ų | 133 | 123.4 Ų | 123.4 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | trans | -108.4 | 123.4 | 175.9 | 179.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 54 | S | 38 | Very low | 36.3 | Very low | 84 Ų | 84 | 122.9 Ų | 122.9 | 59% | 0.587 | 82% | 0.824 | S | S | * | * | trans | -120 | 131.9 | 175 | -52.6 | 0 | 0 | 0 | 0 | 110.9 | H52 | H52-S54 PolarHBondContact CE1-OG 2.77Å; H52-S54 PolarHBondContact ND1-OG 3.38Å | ||
| 55 | P | 42.8 | Very low | 36.4 | Very low | 117 Ų | 117 | 115.5 Ų | 115.5 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | trans | -89.7 | 157.3 | 159.3 | 35.5 | -30.6 | 0 | 0 | 0 | 110.8 | ||||
| 56 | P | 48.4 | Very low | 36.6 | Very low | 133 Ų | 133 | 117.5 Ų | 117.5 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | trans | -92.3 | 145.2 | -173.9 | 34.9 | -34.2 | 0 | 0 | 0 | 114.2 | ||||
| 57 | G | 34.4 | Very low | 36.5 | Very low | 83 Ų | 83 | 124.8 Ų | 124.8 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | 98.2 | 113.8 | 140.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 58 | G | 32.4 | Very low | 36.5 | Very low | 85 Ų | 85 | 128.2 Ų | 128.2 | 88% | 0.876 | 82% | 0.824 | S | S | * | * | trans | 110.7 | 109.5 | 134.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 59 | G | 32.6 | Very low | 36.9 | Very low | 82 Ų | 82 | 134.1 Ų | 134.1 | 85% | 0.845 | 83% | 0.829 | S | S | * | * | trans | 95.4 | 94.4 | 135.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 60 | G | 31.9 | Very low | 37.7 | Very low | 87 Ų | 87 | 137.8 Ų | 137.8 | 90% | 0.897 | 83% | 0.831 | S | S | * | * | trans | 51.5 | 133.7 | 130.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 61 | G | 31.9 | Very low | 38.5 | Very low | 79 Ų | 79 | 138.1 Ų | 138.1 | 81% | 0.814 | 83% | 0.829 | S | S | * | * | trans | 121.8 | 101.4 | 144.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 62 | V | 35.3 | Very low | 39 | Very low | 159 Ų | 159 | 137.9 Ų | 137.9 | 96% | 0.964 | 83% | 0.828 | S | S | * | * | trans | -5.3 | 132.1 | 148.7 | -169.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 63 | G | 33.3 | Very low | 40.1 | Very low | 78 Ų | 78 | 136.5 Ų | 136.5 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | 165.1 | 128.4 | 157.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 64 | S | 34.8 | Very low | 40.9 | Very low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | trans | -98.2 | 159.8 | -179.3 | -167.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 65 | S | 37.6 | Very low | 41.7 | Very low | 90 Ų | 90 | 135.9 Ų | 135.9 | 63% | 0.629 | 83% | 0.834 | S | S | * | * | trans | 88.1 | 125 | 150.8 | -66.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 66 | H | 38.5 | Very low | 42 | Very low | 177 Ų | 177 | 138.7 Ų | 138.7 | 82% | 0.819 | 84% | 0.837 | S | S | * | * | trans | 62 | 120.7 | 150.9 | -56.6 | -54.9 | 0 | 0 | 0 | 121.4 | ||||
| 67 | R | 40.6 | Very low | 42.1 | Very low | 255 Ų | 255 | 140.8 Ų | 140.8 | 96% | 0.962 | 84% | 0.837 | S | S | * | * | trans | -153 | 140.9 | 131.8 | -110.2 | 160 | -159.6 | -149.9 | 3.8 | 114.2 | ||||
| 68 | K | 43.9 | Very low | 42.6 | Very low | 197 Ų | 197 | 143.7 Ų | 143.7 | 86% | 0.857 | 83% | 0.833 | S | S | * | * | trans | -65.2 | 151.7 | -165.9 | -62.3 | 162.7 | 176.6 | 180 | 0 | 114.4 | ||||
| 69 | R | 51.4 | Low | 43.2 | Very low | 250 Ų | 250 | 147.4 Ų | 147.4 | 94% | 0.943 | 83% | 0.832 | S | S | * | * | trans | -54.5 | 144 | 164.2 | -67.5 | -179.5 | -179.5 | 171.9 | -0.6 | 110.2 | ||||
| 70 | R | 50 | Low | 43.7 | Very low | 235 Ų | 235 | 149.1 Ų | 149.1 | 89% | 0.887 | 83% | 0.831 | S | S | * | * | trans | -115.4 | 109.9 | 170.5 | -67.8 | 178.2 | 67.7 | 116 | -1.6 | 109 | ||||
| 71 | T | 52.8 | Low | 44.3 | Very low | 126 Ų | 126 | 153.3 Ų | 153.3 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | trans | -68.2 | 138.5 | 168.2 | -53.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 72 | L | 42.8 | Very low | 45.1 | Very low | 169 Ų | 169 | 157 Ų | 157 | 89% | 0.885 | 83% | 0.833 | S | S | * | * | trans | -95.8 | 132.5 | 169.2 | -66.2 | 175 | 0 | 0 | 0 | 108.8 | ||||
| 73 | V | 53.2 | Low | 45.6 | Very low | 134 Ų | 134 | 157.6 Ų | 157.6 | 81% | 0.812 | 83% | 0.825 | S | S | * | * | trans | -107.5 | 134.1 | 176.7 | 174 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 74 | A | 52.3 | Low | 45.9 | Very low | 82 Ų | 82 | 159.6 Ų | 159.6 | 68% | 0.678 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 148.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 75 | P | 54.5 | Low | 46.5 | Very low | 123 Ų | 123 | 163 Ų | 163 | 80% | 0.799 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 150.9 | 179.6 | -15.1 | 30.9 | 0 | 0 | 0 | 113.1 | ||
| 76 | E | 49.8 | Very low | 46.7 | Very low | 175 Ų | 175 | 162.6 Ų | 162.6 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 131.1 | 178.3 | -60.8 | -170.6 | 162.5 | 0 | 0 | 112.2 | ||
| 77 | M | 50.2 | Low | 46.8 | Very low | 177 Ų | 177 | 160.2 Ų | 160.2 | 87% | 0.872 | 84% | 0.844 | S | S | * | * | trans | -92.6 | 113.9 | 174 | -64.1 | -170.1 | -60.8 | 0 | 0 | 110 | ||||
| 78 | N | 45.3 | Very low | 46.7 | Very low | 145 Ų | 145 | 155.2 Ų | 155.2 | 78% | 0.775 | 84% | 0.835 | S | S | * | * | trans | -91 | 114.1 | 174.5 | -70.7 | -86.7 | 0 | 0 | 0 | 109.3 | ||||
| 79 | L | 45.5 | Very low | 46.5 | Very low | 162 Ų | 162 | 152.9 Ų | 152.9 | 85% | 0.848 | 83% | 0.831 | S | S | * | * | trans | -100.9 | 102.6 | 175.2 | -70.7 | 170.3 | 0 | 0 | 0 | 109.6 | L81 | L79-L81 PolarHBondContact O-N 3.14Š| ||
| 80 | S | 41.3 | Very low | 46 | Very low | 118 Ų | 118 | 146.6 Ų | 146.6 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | trans | -82 | 104.5 | 168.5 | 54 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 81 | L | 44.9 | Very low | 45.7 | Very low | 176 Ų | 176 | 142 Ų | 142 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -72.6 | 118.1 | 162.2 | -88.8 | 145.9 | 0 | 0 | 0 | 108.5 | L79 | L79-L81 PolarHBondContact O-N 3.14Š| ||
| 82 | D | 48.3 | Very low | 45.5 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | trans | -110.9 | 146.4 | 166.5 | -164.7 | 21.3 | 0 | 0 | 0 | 110 | ||||
| 83 | Q | 45.9 | Very low | 45.4 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | trans | -95.8 | 127.8 | -177.7 | -65.7 | 170.1 | 2.1 | 0 | 0 | 108.9 | ||||
| 84 | S | 41.4 | Very low | 45.1 | Very low | 121 Ų | 121 | 142.5 Ų | 142.5 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -131.3 | 112.8 | 164.4 | 72.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 85 | E | 47.5 | Very low | 44.7 | Very low | 185 Ų | 185 | 144.5 Ų | 144.5 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -82.1 | 151.1 | 177.2 | -53.1 | -177.3 | 147.2 | 0 | 0 | 111.3 | ||||
| 86 | G | 40.8 | Very low | 44.2 | Very low | 80 Ų | 80 | 145.3 Ų | 145.3 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | 81.1 | 119.4 | 150 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 87 | S | 41.4 | Very low | 44.4 | Very low | 128 Ų | 128 | 141.9 Ų | 141.9 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | trans | -150.8 | 149 | 136.3 | -160 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 88 | L | 37.3 | Very low | 44 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | trans | -126.4 | 142.5 | -163 | -76.9 | 170.7 | 0 | 0 | 0 | 112.4 | ||||
| 89 | L | 39.3 | Very low | 44.1 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | trans | 57.6 | 121.1 | 142.2 | -59.4 | 172.8 | 0 | 0 | 0 | 122.2 | ||||
| 90 | S | 42 | Very low | 44.2 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -177.9 | 114.6 | 134.4 | 56.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 91 | D | 44.1 | Very low | 44.7 | Very low | 138 Ų | 138 | 142 Ų | 142 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | cis | 82.2 | 135.1 | 24.6 | -146.3 | 18.7 | 0 | 0 | 0 | 116.7 | ||||
| 92 | D | 48 | Very low | 44.9 | Very low | 140 Ų | 140 | 141.7 Ų | 141.7 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | trans | 59.6 | 148.2 | 178.1 | -75.1 | -26.1 | 0 | 0 | 0 | 120.2 | ||||
| 93 | F | 40.7 | Very low | 45.1 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 65% | 0.645 | 79% | 0.786 | S | S | * | * | cis | -175.3 | 142.9 | -17.3 | 175.9 | -121.6 | 0 | 0 | 0 | 108.7 | ||||
| 94 | L | 46.9 | Very low | 45.3 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | 167.2 | 131.3 | 131 | -92.6 | 167 | 0 | 0 | 0 | 114.5 | ||||
| 95 | D | 42.7 | Very low | 45.5 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 66% | 0.658 | 78% | 0.776 | S | S | * | * | trans | -72 | 161.2 | 178 | -73.9 | -59.2 | 0 | 0 | 0 | 115.7 | ||||
| 96 | T | 45.5 | Very low | 45.6 | Very low | 140 Ų | 140 | 136.8 Ų | 136.8 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | -165.6 | 153.9 | 109.2 | 17.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 97 | P | 52.8 | Low | 46.1 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | trans | -104.1 | 166 | -153.4 | 40.5 | -37.1 | 0 | 0 | 0 | 115.2 | ||||
| 98 | D | 43.3 | Very low | 46.3 | Very low | 142 Ų | 142 | 141.4 Ų | 141.4 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | -178.4 | 127.1 | 115.9 | -92.9 | -5.8 | 0 | 0 | 0 | 111.4 | |||||
| 99 | D | 46.3 | Very low | 47 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | 26.8 | 118.8 | 148.2 | -56.6 | -10.1 | 0 | 0 | 0 | 121.2 | ||||
| 100 | L | 48.5 | Very low | 47.9 | Very low | 177 Ų | 177 | 139.2 Ų | 139.2 | 93% | 0.927 | 77% | 0.768 | S | S | * | * | -156 | 80.8 | 124.5 | -109 | 169.7 | 0 | 0 | 0 | 109.9 | |||||
| 101 | D | 50.3 | Low | 47.7 | Very low | 146 Ų | 146 | 140.9 Ų | 140.9 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | trans | -64.3 | 131.4 | 167.6 | -78.6 | -36.5 | 0 | 0 | 0 | 110.8 | ||||
| 102 | I | 49.8 | Very low | 47.8 | Very low | 170 Ų | 170 | 142.3 Ų | 142.3 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | -162.2 | 107.1 | 124.9 | -91.3 | 146.8 | 0 | 0 | 0 | 105.7 | |||||
| 103 | N | 53 | Low | 47.3 | Very low | 131 Ų | 131 | 141.6 Ų | 141.6 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | -133.8 | 108.1 | 159.3 | -172.8 | 71.7 | 0 | 0 | 0 | 108.5 | ||||
| 104 | V | 50.2 | Low | 47 | Very low | 127 Ų | 127 | 142 Ų | 142 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -144.7 | 100.1 | 161.6 | -174.7 | 0 | 0 | 0 | 0 | 101.8 | ||||
| 105 | D | 45.9 | Very low | 46.6 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 65% | 0.652 | 77% | 0.77 | S | S | * | * | 57.9 | 141.2 | 82.5 | -75.5 | -50.8 | 0 | 0 | 0 | 113.2 | |||||
| 106 | D | 49.1 | Very low | 46.1 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | trans | 62.5 | 124.2 | -166.8 | -59.8 | -23.4 | 0 | 0 | 0 | 114.6 | ||||
| 107 | I | 50.7 | Low | 45.8 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | cis | -158 | 152.8 | 40 | -158.9 | 160.8 | 0 | 0 | 0 | 113 | ||||
| 108 | D | 45 | Very low | 44.9 | Very low | 143 Ų | 143 | 144.1 Ų | 144.1 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | trans | -66.7 | 156.6 | -172.5 | -64.9 | -82.4 | 0 | 0 | 0 | 116.9 | ||||
| 109 | T | 52.4 | Low | 44.7 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | trans | -87.3 | 144.9 | 139.7 | 41.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 110 | P | 58.3 | Low | 43.8 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | cis | -140.2 | 179.6 | 27.3 | 41.8 | -24.7 | 0 | 0 | 0 | 115.3 | ||||
| 111 | D | 37.1 | Very low | 43.1 | Very low | 152 Ų | 152 | 141.4 Ų | 141.4 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | -155.4 | 162 | 140.1 | -153.4 | 3.3 | 0 | 0 | 0 | 112.3 | ||||
| 112 | E | 47.4 | Very low | 42.3 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -102.7 | -160.8 | -176 | -51.9 | -154 | 139.7 | 0 | 0 | 112.8 | ||||
| 113 | T | 36.5 | Very low | 41.5 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 77% | 0.767 | 75% | 0.753 | S | S | * | * | trans | 81.5 | 85.4 | 167.6 | 70.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 114 | D | 34.6 | Very low | 40.7 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | 52.7 | 153.7 | 103.9 | -156 | 21.5 | 0 | 0 | 0 | 122.3 | |||||
| 115 | S | 38.2 | Very low | 40.2 | Very low | 83 Ų | 83 | 137.3 Ų | 137.3 | 58% | 0.58 | 76% | 0.755 | S | S | * | * | trans | 83.5 | 107.3 | 162.3 | -69.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 116 | L | 33.5 | Very low | 39.8 | Very low | 144 Ų | 144 | 139 Ų | 139 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | 69.1 | 146.3 | 132.3 | -90.3 | 75.1 | 0 | 0 | 0 | 119.8 | ||||
| 117 | E | 38.2 | Very low | 39.7 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | cis | -165.2 | 156.4 | -5.5 | -149.3 | 170.1 | -138.5 | 0 | 0 | 109.6 | ||||
| 118 | F | 34.3 | Very low | 38.9 | Very low | 180 Ų | 180 | 144.4 Ų | 144.4 | 79% | 0.789 | 77% | 0.765 | S | S | * | * | trans | 57.3 | 139.6 | 149.7 | -119.1 | -133.5 | 0 | 0 | 0 | 119.3 | ||||
| 119 | I | 38.9 | Very low | 38.5 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 65% | 0.651 | 76% | 0.761 | S | S | * | * | cis | -165 | 161.2 | 3.3 | 15.4 | 170.1 | 0 | 0 | 0 | 106.3 | ||||
| 120 | T | 28.8 | Very low | 37.9 | Very low | 119 Ų | 119 | 145 Ų | 145 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | cis | -130.9 | -172.6 | -1.4 | 56.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 121 | N | 33.4 | Very low | 37.2 | Very low | 155 Ų | 155 | 144.4 Ų | 144.4 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | cis | -155.4 | 162.5 | 5.4 | -158.5 | -2.3 | 0 | 0 | 0 | 109.6 | ||||
| 122 | G | 32.5 | Very low | 37.6 | Very low | 70 Ų | 70 | 143.1 Ų | 143.1 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | trans | 170.3 | 107.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 123 | N | 34.4 | Very low | 37.1 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | trans | -102 | 121.6 | -172.3 | -165.5 | 100.4 | 0 | 0 | 0 | 111.4 | ||||
| 124 | D | 36.3 | Very low | 37.1 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 66% | 0.658 | 76% | 0.762 | S | S | * | * | trans | 44.3 | 126.5 | 155.8 | -46.4 | -21.7 | 0 | 0 | 0 | 120.8 | ||||
| 125 | L | 39.6 | Very low | 37.1 | Very low | 160 Ų | 160 | 138.4 Ų | 138.4 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | -161.1 | 121.7 | 103.2 | -103 | 158.6 | 0 | 0 | 0 | 111.3 | |||||
| 126 | E | 37.3 | Very low | 36.9 | Very low | 158 Ų | 158 | 139.3 Ų | 139.3 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | -66.8 | 150.3 | 173.7 | -58.4 | 158.9 | 133.9 | 0 | 0 | 111.2 | ||||
| 127 | W | 45.8 | Very low | 37 | Very low | 247 Ų | 247 | 142.4 Ų | 142.4 | 94% | 0.936 | 78% | 0.78 | S | S | * | * | trans | -145.7 | 129 | 136.9 | -78.3 | 109.7 | 0 | 0 | 0 | 109.2 | ||||
| 128 | E | 35.3 | Very low | 36.8 | Very low | 180 Ų | 180 | 139.8 Ų | 139.8 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | -77.1 | 156.4 | -172.6 | -66 | 175.2 | 110.1 | 0 | 0 | 113.8 | ||||
| 129 | D | 36.6 | Very low | 36.6 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 67% | 0.668 | 78% | 0.784 | S | S | * | * | trans | -5.9 | 138.3 | 146.5 | -170.1 | 21.8 | 0 | 0 | 0 | 119 | T131 | D129-T131 PolarHBondContact OD1-N 3.09Å; D129-T131 PolarHBondContact OD1-OG1 3.02Å | ||
| 130 | D | 39.9 | Very low | 37 | Very low | 161 Ų | 161 | 135.2 Ų | 135.2 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | -157.1 | 81 | 144.4 | -129.3 | -18.9 | 0 | 0 | 0 | 109.8 | P132 | D130-P132 WeakPolarHBondContact O-CD 3.3Š| ||
| 131 | T | 42.4 | Very low | 37.1 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 66% | 0.663 | 80% | 0.8 | S | S | * | * | trans | -102.4 | 104.4 | 178 | 47.3 | 0 | 0 | 0 | 0 | 113.2 | D129 V133 | D129-T131 PolarHBondContact OD1-N 3.09Å; D129-T131 PolarHBondContact OD1-OG1 3.02Å; T131-V133 PolarHBondContact O-N 3.19Å | ||
| 132 | P | 45.9 | Very low | 37 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -79.4 | 103 | 174.1 | 29.5 | -32.7 | 0 | 0 | 0 | 111.8 | D130 A134 | D130-P132 WeakPolarHBondContact O-CD 3.3Å; P132-A134 PolarHBondContact O-N 3.47Å | ||
| 133 | V | 36.3 | Very low | 37.1 | Very low | 137 Ų | 137 | 130.4 Ų | 130.4 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | trans | -67.5 | 118.2 | 169.3 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | T131 | T131-V133 PolarHBondContact O-N 3.19Š| ||
| 134 | A | 36.8 | Very low | 37.1 | Very low | 99 Ų | 99 | 129.9 Ų | 129.9 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -110.4 | 97.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111 | P132 | P132-A134 PolarHBondContact O-N 3.47Š| ||
| 135 | S | 33.9 | Very low | 37.3 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | trans | -84.5 | 121 | 171.1 | -172.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 136 | A | 34.7 | Very low | 37 | Very low | 102 Ų | 102 | 124.8 Ų | 124.8 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | -137.8 | 118 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 137 | K | 36.7 | Very low | 37.2 | Very low | 209 Ų | 209 | 123.1 Ų | 123.1 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | trans | -109.8 | 108.1 | -170.3 | 176.3 | -171 | -177.8 | -179.4 | 0 | 110 | ||||
| 138 | A | 32.4 | Very low | 36.7 | Very low | 103 Ų | 103 | 115.9 Ų | 115.9 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | trans | -158.7 | 124.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 139 | G | 31.4 | Very low | 37.1 | Very low | 73 Ų | 73 | 116.3 Ų | 116.3 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | -122.6 | -170.7 | 146.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 140 | P | 47 | Very low | 37.9 | Very low | 138 Ų | 138 | 118.3 Ų | 118.3 | 90% | 0.896 | 83% | 0.828 | S | S | * | * | cis | -135.7 | 176.5 | 5.6 | 41.5 | -25.8 | 0 | 0 | 0 | 115 | ||||
| 141 | G | 31.2 | Very low | 38.4 | Very low | 79 Ų | 79 | 113.6 Ų | 113.6 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | 123.1 | 139.9 | 139 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 142 | G | 31.1 | Very low | 38.8 | Very low | 82 Ų | 82 | 114.8 Ų | 114.8 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | 95.6 | 88.8 | 152.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 143 | G | 34.4 | Very low | 38.9 | Very low | 82 Ų | 82 | 113.1 Ų | 113.1 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | -83.4 | 142 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 144 | S | 34.3 | Very low | 39.5 | Very low | 123 Ų | 123 | 113.1 Ų | 113.1 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -159.1 | 136.1 | 152.3 | 44.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 145 | G | 39.4 | Very low | 40.2 | Very low | 87 Ų | 87 | 115.6 Ų | 115.6 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | trans | -84.1 | 135.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 146 | A | 33.2 | Very low | 41.5 | Very low | 89 Ų | 89 | 113.2 Ų | 113.2 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | trans | -141.3 | 146.9 | 161.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 147 | P | 41.7 | Very low | 43.3 | Very low | 123 Ų | 123 | 114.9 Ų | 114.9 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | trans | -66.4 | 142.1 | -179.1 | 29.3 | -34.5 | 0 | 0 | 0 | 110.1 | E149 | P147-E149 PolarHBondContact O-N 2.96Å; P147-E149 VanDerWaalsContact O-N 3.12Å | ||
| 148 | A | 36.8 | Very low | 45.8 | Very low | 95 Ų | 95 | 110.4 Ų | 110.4 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -68.5 | 108.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | D150 | A148-D150 PolarHBondContact O-N 3.05Š| ||
| 149 | E | 42.7 | Very low | 48.8 | Very low | 188 Ų | 188 | 109.9 Ų | 109.9 | 88% | 0.879 | 75% | 0.751 | S | S | * | * | trans | -72.6 | 116.9 | 157.3 | -73.8 | -174.3 | 105.2 | 0 | 0 | 108 | P147 G151 | P147-E149 PolarHBondContact O-N 2.96Å; P147-E149 VanDerWaalsContact O-N 3.12Å; E149-G151 PolarHBondContact O-N 3.05Å | ||
| 150 | D | 53.4 | Low | 51.8 | Low | 168 Ų | 168 | 110.8 Ų | 110.8 | 90% | 0.898 | 73% | 0.732 | S | S | * | * | trans | -68.3 | 77.2 | 175.8 | -92.2 | -38.9 | 0 | 0 | 0 | 111.4 | A148 | A148-D150 PolarHBondContact O-N 3.05Š| ||
| 151 | G | 51.7 | Low | 54.1 | Low | 62 Ų | 62 | 107.5 Ų | 107.5 | 64% | 0.639 | 71% | 0.709 | S | S | * | * | trans | -131.8 | 41.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113 | E149 A153 | E149-G151 PolarHBondContact O-N 3.05Å; G151-A153 PolarHBondContact O-N 2.94Å | ||
| 152 | N | 49.3 | Very low | 57 | Low | 133 Ų | 133 | 104.1 Ų | 104.1 | 71% | 0.711 | 67% | 0.673 | S | S | * | * | trans | -73.1 | 85.1 | -177.3 | -173.2 | 76.1 | 0 | 0 | 0 | 113 | N154 | N152-N154 PolarHBondContact O-N 3.1Š| ||
| 153 | A | 48.7 | Very low | 59.8 | Low | 90 Ų | 90 | 105.6 Ų | 105.6 | 74% | 0.744 | 66% | 0.66 | S | S | * | * | trans | -78.2 | 92.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | G151 | G151-A153 PolarHBondContact O-N 2.94Š| ||
| 154 | N | 48.8 | Very low | 62.4 | Low | 137 Ų | 137 | 102.2 Ų | 102.2 | 73% | 0.733 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -166.6 | 131.8 | 154 | -101.1 | -27.4 | 0 | 0 | 0 | 111.5 | N152 | N152-N154 PolarHBondContact O-N 3.1Š|
| 155 | N | 50.9 | Low | 64.7 | Low | 150 Ų | 150 | 98.1 Ų | 98.1 | 80% | 0.802 | 60% | 0.599 | S | S | * | * | S | Bend | trans | 59.3 | 137.3 | -162.6 | -69.5 | -16.4 | 0 | 0 | 0 | 114.3 | R157 | N155-R157 PolarHBondContact O-N 3.15Š|
| 156 | G | 61.8 | Low | 66.9 | Low | 65 Ų | 65 | 103.4 Ų | 103.4 | 67% | 0.67 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -68.7 | 12.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | Q174 | G156-Q174 PolarHBondContact O-NE2 3.42Å; G156-Q174 VanDerWaalsContact O-NE2 3.14Å; G156-Q174 PolarHBondContact O-OE1 3.02Å; G156-Q174 VanDerWaalsContact O-OE1 3.11Å |
| 157 | R | 71.4 | Confident | 69.5 | Low | 137 Ų | 137 | 105.3 Ų | 105.3 | 52% | 0.517 | 60% | 0.595 | S | S | . | * | trans | -79.8 | 119.9 | 177.6 | -70.2 | -176 | 178.8 | 178 | -0.8 | 110.1 | N155 W159 D172 | N155-R157 PolarHBondContact O-N 3.15Å; R157-W159 HydrophobicContact CB-CZ2 4.28Å; R157-W159 PolarHBondContact O-N 2.97Å; R157-D172 VanDerWaalsContact CD-OD2 3.26Å; R157-D172 WeakPolarHBondContact CD-OD2 3.44Å; R157-D172 WeakPolarHBondContact CG-OD2 3.29Å; R157-D172 IonicContact NE-OD2 3.38Å | ||
| 158 | L | 90.6 | Very high | 72 | Confident | 115 Ų | 115 | 106 Ų | 106 | 60% | 0.602 | 59% | 0.587 | S | S | * | * | trans | -87.5 | 90.2 | -178.3 | 180 | 63.9 | 0 | 0 | 0 | 109.4 | M173 | L158-M173 HydrophobicContact CB-CB 4.22Å; L158-M173 HydrophobicContact CD2-CB 3.96Å; L158-M173 HydrophobicContact CG-CB 3.97Å; L158-M173 WeakPolarHBondContact O-CA 3.38Å; L158-M173 WeakPolarHBondContact O-CB 2.98Å; L158-M173 PolarHBondContact O-N 3.01Å | ||
| 159 | W | 94.6 | Very high | 74.7 | Confident | 91 Ų | 91 | 103.4 Ų | 103.4 | 35% | 0.345 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.8 | 140.5 | 178.5 | -60.5 | 98.3 | 0 | 0 | 0 | 112.1 | R157 R170 I171 D172 Y214 | R157-W159 HydrophobicContact CB-CZ2 4.28Å; R157-W159 PolarHBondContact O-N 2.97Å; W159-R170 HydrophobicContact CE3-CB 4.19Å; W159-R170 VanDerWaalsContact CG-NH2 3.29Å; W159-I171 CarbonylContact C-O 3.52Å; W159-I171 WeakPolarHBondContact CA-O 3.48Å; W159-D172 HydrophobicContact CE3-CB 3.96Å; W159-D172 HydrophobicContact CH2-CB 4.03Å; W159-D172 HydrophobicContact CZ3-CB 3.67Å; W159-Y214 WeakPolarHBondContact CH2-OH 3.45Å |
| 160 | R | 95 | Very high | 77.3 | Confident | 92 Ų | 92 | 100.9 Ų | 100.9 | 35% | 0.347 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 119.2 | 166.2 | 178.9 | -176.8 | 176.9 | -164.7 | -4 | 109 | V162 I171 M173 | R160-V162 HydrophobicContact CG-CG1 4.03Å; R160-I171 PolarHBondContact N-O 3.42Å; R160-I171 PolarHBondContact O-N 2.95Å; R160-M173 HydrophobicContact CB-CG 3.55Å; R160-M173 HydrophobicContact CB-SD 3.83Å; R160-M173 HydrophobicContact CG-SD 4.48Å |
| 161 | T | 94.4 | Very high | 79.3 | Confident | 69 Ų | 69 | 92.9 Ų | 92.9 | 42% | 0.423 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 137.6 | 168 | -66.5 | 0 | 0 | 0 | 0 | 109.8 | E168 H169 | T161-E168 HydrophobicContact CG2-CG 3.48Å; T161-E168 VanDerWaalsContact CG2-CG 3.48Å; T161-E168 WeakPolarHBondContact CG2-OE1 3.4Å; T161-H169 WeakPolarHBondContact CA-O 3.24Å |
| 162 | V | 93.1 | Very high | 81.4 | Confident | 9 Ų | 9 | 90 Ų | 90 | 6% | 0.055 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 148.8 | 174.6 | -57.8 | 0 | 0 | 0 | 0 | 109.1 | R160 I164 H169 I171 S225 | R160-V162 HydrophobicContact CG-CG1 4.03Å; V162-I164 HydrophobicContact CG2-CD1 4.08Å; V162-I164 HydrophobicContact CG2-CG1 4.15Å; V162-H169 HydrophobicContact CG2-CB 4.03Å; V162-H169 PolarHBondContact N-O 3.47Å; V162-H169 PolarHBondContact O-N 2.84Å; V162-H169 VanDerWaalsContact O-O 3.1Å; V162-I171 HydrophobicContact CB-CD1 4.42Å; V162-I171 HydrophobicContact CG1-CD1 3.73Å; V162-I171 HydrophobicContact CG2-CD1 3.75Å; V162-I171 HydrophobicContact CG2-CG1 4.08Å; V162-S225 VanDerWaalsContact CG1-OG 3.26Å; V162-S225 WeakPolarHBondContact CG1-OG 3.29Å |
| 163 | I | 89.8 | Confident | 83.6 | Confident | 112 Ų | 112 | 85 Ų | 85 | 57% | 0.574 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 138.1 | 165.6 | -58.8 | 170.3 | 0 | 0 | 0 | 106.5 | Q167 | I163-Q167 WeakPolarHBondContact CA-O 3.48Å |
| 164 | I | 87.8 | Confident | 85.8 | Confident | 12 Ų | 12 | 85.5 Ų | 85.5 | 6% | 0.062 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 118.7 | 170.7 | -65 | 171.1 | 0 | 0 | 0 | 107.1 | V162 E166 Q167 L221 V224 | V162-I164 HydrophobicContact CG2-CD1 4.08Å; V162-I164 HydrophobicContact CG2-CG1 4.15Å; I164-E166 PolarHBondContact O-N 3.35Å; I164-Q167 PolarHBondContact N-O 3.36Å; I164-Q167 PolarHBondContact O-N 2.95Å; I164-Q167 VanDerWaalsContact O-N 3.07Å; I164-L221 HydrophobicContact CD1-CB 4.28Å; I164-L221 HydrophobicContact CD1-CD2 3.66Å; I164-V224 HydrophobicContact CD1-CB 4.13Å; I164-V224 HydrophobicContact CD1-CG1 4.12Å; I164-V224 HydrophobicContact CG1-CG1 4.22Å; I164-V224 HydrophobicContact CG2-CG1 3.57Å |
| 165 | G | 84.2 | Confident | 88.1 | Confident | 36 Ų | 36 | 81.1 Ų | 81.1 | 37% | 0.371 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | -109.1 | -165.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E228 | G165-E228 PolarHBondContact N-OE1 2.92Š|
| 166 | E | 84.3 | Confident | 90.3 | Very high | 198 Ų | 198 | 74 Ų | 74 | 93% | 0.925 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.8 | 2.6 | 179.6 | -64.1 | 175.7 | -174.5 | 0 | 0 | 113 | I164 | I164-E166 PolarHBondContact O-N 3.35Š|
| 167 | Q | 89.4 | Confident | 91.9 | Very high | 130 Ų | 130 | 78.4 Ų | 78.4 | 61% | 0.607 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 138.1 | -175.3 | -66.9 | -170.7 | -13.8 | 0 | 0 | 112.1 | I163 I164 H169 | I163-Q167 WeakPolarHBondContact CA-O 3.48Å; I164-Q167 PolarHBondContact N-O 3.36Å; I164-Q167 PolarHBondContact O-N 2.95Å; I164-Q167 VanDerWaalsContact O-N 3.07Å; Q167-H169 PolarHBondContact O-CD2 3.42Å |
| 168 | E | 93.9 | Very high | 93.1 | Very high | 138 Ų | 138 | 76.2 Ų | 76.2 | 65% | 0.645 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 125.6 | 169.7 | -168.5 | -171.7 | 144.5 | 0 | 0 | 110 | T161 | T161-E168 HydrophobicContact CG2-CG 3.48Å; T161-E168 VanDerWaalsContact CG2-CG 3.48Å; T161-E168 WeakPolarHBondContact CG2-OE1 3.4Å |
| 169 | H | 93.5 | Very high | 93.3 | Very high | 40 Ų | 40 | 73.1 Ų | 73.1 | 19% | 0.185 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 149.2 | 174.6 | -64.3 | -84.4 | 0 | 0 | 0 | 110.7 | T161 V162 Q167 L221 | T161-H169 WeakPolarHBondContact CA-O 3.24Å; V162-H169 HydrophobicContact CG2-CB 4.03Å; V162-H169 PolarHBondContact N-O 3.47Å; V162-H169 PolarHBondContact O-N 2.84Å; V162-H169 VanDerWaalsContact O-O 3.1Å; Q167-H169 PolarHBondContact O-CD2 3.42Å; H169-L221 HydrophobicContact CB-CD1 4.33Å; H169-L221 HydrophobicContact CB-CD2 4.12Å |
| 170 | R | 95.9 | Very high | 93.4 | Very high | 135 Ų | 135 | 71.1 Ų | 71.1 | 51% | 0.509 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 122.2 | 175.9 | -65.5 | -179.7 | 63.6 | -152 | -3.4 | 109.8 | W159 | W159-R170 HydrophobicContact CE3-CB 4.19Å; W159-R170 VanDerWaalsContact CG-NH2 3.29Å |
| 171 | I | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 127.8 | 179.6 | -55.3 | 172.7 | 0 | 0 | 0 | 108.4 | W159 R160 V162 M173 I176 N218 L221 | W159-I171 CarbonylContact C-O 3.52Å; W159-I171 WeakPolarHBondContact CA-O 3.48Å; R160-I171 PolarHBondContact N-O 3.42Å; R160-I171 PolarHBondContact O-N 2.95Å; V162-I171 HydrophobicContact CB-CD1 4.42Å; V162-I171 HydrophobicContact CG1-CD1 3.73Å; V162-I171 HydrophobicContact CG2-CD1 3.75Å; V162-I171 HydrophobicContact CG2-CG1 4.08Å; I171-M173 HydrophobicContact CB-SD 4.35Å; I171-M173 HydrophobicContact CG2-SD 3.86Å; I171-M173 PolarHBondContact O-N 3.34Å; I171-I176 HydrophobicContact CG2-CD1 3.61Å; I171-I176 HydrophobicContact CG2-CG1 4.43Å; I171-N218 WeakPolarHBondContact CA-OD1 3.41Å; I171-N218 HydrophobicContact CG2-CB 4.23Å; I171-L221 HydrophobicContact CD1-CB 3.97Å; I171-L221 HydrophobicContact CG1-CB 3.77Å |
| 172 | D | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 99.5 | 165.4 | -170.9 | -18.8 | 0 | 0 | 0 | 109.4 | R157 W159 Q174 I175 N218 | R157-D172 VanDerWaalsContact CD-OD2 3.26Å; R157-D172 WeakPolarHBondContact CD-OD2 3.44Å; R157-D172 WeakPolarHBondContact CG-OD2 3.29Å; R157-D172 IonicContact NE-OD2 3.38Å; W159-D172 HydrophobicContact CE3-CB 3.96Å; W159-D172 HydrophobicContact CH2-CB 4.03Å; W159-D172 HydrophobicContact CZ3-CB 3.67Å; D172-Q174 PolarHBondContact O-N 2.86Å; D172-Q174 WeakPolarHBondContact OD1-CA 3.36Å; D172-Q174 WeakPolarHBondContact OD1-CB 3.42Å; D172-Q174 PolarHBondContact OD1-N 2.92Å; D172-I175 HydrophobicContact CB-CD1 4.29Å; D172-I175 HydrophobicContact CB-CG1 3.81Å; D172-I175 VanDerWaalsContact O-CG1 3.24Å; D172-I175 WeakPolarHBondContact O-CG1 3.5Å; D172-N218 PolarHBondContact N-OD1 3.25Å |
| 173 | M | 95.4 | Very high | 93.6 | Very high | 28 Ų | 28 | 69.7 Ų | 69.7 | 14% | 0.138 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.6 | -16.7 | 178.5 | -59.7 | -63.5 | -51.3 | 0 | 0 | 112.8 | L158 R160 I171 I176 K177 L180 Y222 | L158-M173 HydrophobicContact CB-CB 4.22Å; L158-M173 HydrophobicContact CD2-CB 3.96Å; L158-M173 HydrophobicContact CG-CB 3.97Å; L158-M173 WeakPolarHBondContact O-CA 3.38Å; L158-M173 WeakPolarHBondContact O-CB 2.98Å; L158-M173 PolarHBondContact O-N 3.01Å; R160-M173 HydrophobicContact CB-CG 3.55Å; R160-M173 HydrophobicContact CB-SD 3.83Å; R160-M173 HydrophobicContact CG-SD 4.48Å; I171-M173 HydrophobicContact CB-SD 4.35Å; I171-M173 HydrophobicContact CG2-SD 3.86Å; I171-M173 PolarHBondContact O-N 3.34Å; M173-I176 HydrophobicContact CE-CD1 4.05Å; M173-I176 HydrophobicContact CE-CG1 4.44Å; M173-I176 HydrophobicContact SD-CD1 3.97Å; M173-K177 WeakPolarHBondContact O-CB 3.46Å; M173-K177 PolarHBondContact O-N 3.25Å; M173-L180 HydrophobicContact CE-CD2 3.93Å; M173-Y222 HydrophobicContact CE-CD2 4.1Å; M173-Y222 HydrophobicContact CE-CE2 4.16Å; M173-Y222 HydrophobicContact SD-CD2 4.4Å |
| 174 | Q | 95 | Very high | 93.9 | Very high | 101 Ų | 101 | 66.2 Ų | 66.2 | 47% | 0.472 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.5 | -49.8 | -179.1 | -171.1 | -178.5 | 30.8 | 0 | 0 | 110.6 | G156 D172 K177 | G156-Q174 PolarHBondContact O-NE2 3.42Å; G156-Q174 VanDerWaalsContact O-NE2 3.14Å; G156-Q174 PolarHBondContact O-OE1 3.02Å; G156-Q174 VanDerWaalsContact O-OE1 3.11Å; D172-Q174 PolarHBondContact O-N 2.86Å; D172-Q174 WeakPolarHBondContact OD1-CA 3.36Å; D172-Q174 WeakPolarHBondContact OD1-CB 3.42Å; D172-Q174 PolarHBondContact OD1-N 2.92Å; Q174-K177 WeakPolarHBondContact O-CB 3.4Å |
| 175 | I | 95.4 | Very high | 94.1 | Very high | 46 Ų | 46 | 69 Ų | 69 | 24% | 0.236 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -71.8 | -32.3 | -177.2 | 51.4 | 147.8 | 0 | 0 | 0 | 113.3 | D172 P178 Y214 I215 N218 | D172-I175 HydrophobicContact CB-CD1 4.29Å; D172-I175 HydrophobicContact CB-CG1 3.81Å; D172-I175 VanDerWaalsContact O-CG1 3.24Å; D172-I175 WeakPolarHBondContact O-CG1 3.5Å; I175-P178 WeakPolarHBondContact O-CD 3.32Å; I175-Y214 HydrophobicContact CD1-CD1 3.52Å; I175-Y214 HydrophobicContact CD1-CE1 3.37Å; I175-Y214 HydrophobicContact CD1-CG 4.33Å; I175-Y214 HydrophobicContact CG1-CE1 4.23Å; I175-Y214 HydrophobicContact CG2-CE1 4.5Å; I175-I215 HydrophobicContact CD1-CG1 4.31Å; I175-N218 HydrophobicContact CD1-CB 3.88Å |
| 176 | I | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -86.7 | -9 | -179.7 | 65.5 | 164.4 | 0 | 0 | 0 | 113.8 | I171 M173 P178 Y179 L180 N218 L219 Y222 | I171-I176 HydrophobicContact CG2-CD1 3.61Å; I171-I176 HydrophobicContact CG2-CG1 4.43Å; M173-I176 HydrophobicContact CE-CD1 4.05Å; M173-I176 HydrophobicContact CE-CG1 4.44Å; M173-I176 HydrophobicContact SD-CD1 3.97Å; I176-P178 VanDerWaalsContact C-N 3.31Å; I176-P178 VanDerWaalsContact O-N 3.17Å; I176-Y179 WeakPolarHBondContact O-CA 3.5Å; I176-Y179 PolarHBondContact O-N 2.93Å; I176-L180 HydrophobicContact CB-CD2 4.48Å; I176-L180 HydrophobicContact CD1-CD2 3.76Å; I176-L180 HydrophobicContact CG1-CD2 3.89Å; I176-L180 PolarHBondContact O-N 3.25Å; I176-N218 HydrophobicContact CG2-CB 3.59Å; I176-L219 HydrophobicContact CB-CD1 4.2Å; I176-L219 HydrophobicContact CG2-CB 4.04Å; I176-L219 HydrophobicContact CG2-CD1 4.45Å; I176-Y222 VanDerWaalsContact CD1-CB 3.46Å; I176-Y222 HydrophobicContact CD1-CD1 4.25Å; I176-Y222 HydrophobicContact CD1-CD2 4.07Å; I176-Y222 HydrophobicContact CD1-CG 3.67Å |
| 177 | K | 95.7 | Very high | 95 | Very high | 157 Ų | 157 | 58.3 Ų | 58.3 | 68% | 0.683 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -48.2 | -40.7 | -179.1 | -170 | 176.8 | 179 | -179 | 0 | 114.6 | M173 Q174 Y179 | M173-K177 WeakPolarHBondContact O-CB 3.46Å; M173-K177 PolarHBondContact O-N 3.25Å; Q174-K177 WeakPolarHBondContact O-CB 3.4Å; K177-Y179 PolarHBondContact O-N 3.21Å |
| 178 | P | 96.4 | Very high | 95 | Very high | 92 Ų | 92 | 58.4 Ų | 58.4 | 60% | 0.597 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -67.1 | -24.6 | 177.3 | -20.4 | 34.6 | 0 | 0 | 0 | 113.8 | I175 I176 | I175-P178 WeakPolarHBondContact O-CD 3.32Å; I176-P178 VanDerWaalsContact C-N 3.31Å; I176-P178 VanDerWaalsContact O-N 3.17Å |
| 179 | Y | 96.6 | Very high | 94.6 | Very high | 50 Ų | 50 | 53.2 Ų | 53.2 | 20% | 0.196 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -105.5 | -0.6 | -168.8 | -48.8 | -68.1 | 0 | 0 | 0 | 113.6 | I176 K177 R181 V182 Y203 P205 I215 | I176-Y179 WeakPolarHBondContact O-CA 3.5Å; I176-Y179 PolarHBondContact O-N 2.93Å; K177-Y179 PolarHBondContact O-N 3.21Å; Y179-R181 PolarHBondContact O-N 3.05Å; Y179-V182 VanDerWaalsContact O-CB 3.26Å; Y179-V182 WeakPolarHBondContact O-CB 3.33Å; Y179-V182 WeakPolarHBondContact O-CG1 3.11Å; Y179-V182 PolarHBondContact O-N 3.37Å; Y179-Y203 WeakPolarHBondContact CD1-O 3.37Å; Y179-P205 HydrophobicContact CD1-CB 4.29Å; Y179-P205 HydrophobicContact CE1-CB 3.78Å; Y179-P205 HydrophobicContact CE2-CB 4.21Å; Y179-I215 HydrophobicContact CD2-CG2 3.72Å; Y179-I215 HydrophobicContact CE2-CD1 4.47Å; Y179-I215 HydrophobicContact CE2-CG2 3.53Å |
| 180 | L | 95.4 | Very high | 94.1 | Very high | 48 Ų | 48 | 54.6 Ų | 54.6 | 25% | 0.251 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -55.5 | -27.5 | -177.3 | -60.1 | 177.6 | 0 | 0 | 0 | 113.5 | M173 I176 V182 I183 Y222 | M173-L180 HydrophobicContact CE-CD2 3.93Å; I176-L180 HydrophobicContact CB-CD2 4.48Å; I176-L180 HydrophobicContact CD1-CD2 3.76Å; I176-L180 HydrophobicContact CG1-CD2 3.89Å; I176-L180 PolarHBondContact O-N 3.25Å; L180-V182 PolarHBondContact O-N 3.35Å; L180-V182 VanDerWaalsContact O-N 3.13Å; L180-I183 PolarHBondContact O-N 3.04Å; L180-Y222 HydrophobicContact CB-CE1 4.33Å; L180-Y222 HydrophobicContact CD2-CD1 3.96Å; L180-Y222 HydrophobicContact CD2-CD2 4.22Å; L180-Y222 HydrophobicContact CD2-CE1 3.62Å; L180-Y222 HydrophobicContact CD2-CE2 3.93Å; L180-Y222 HydrophobicContact CD2-CG 4.24Å |
| 181 | R | 95.4 | Very high | 93.4 | Very high | 128 Ų | 128 | 56.9 Ų | 56.9 | 48% | 0.483 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -63.1 | -11.1 | 174 | -68.5 | -178.8 | 67.3 | 176.9 | 7.3 | 114.4 | Y179 I183 Y203 H320 | Y179-R181 PolarHBondContact O-N 3.05Å; R181-I183 PolarHBondContact O-N 2.95Å; R181-Y203 HydrophobicContact CB-CD2 3.64Å; R181-Y203 HydrophobicContact CB-CE2 4.02Å; R181-Y203 HydrophobicContact CB-CG 4Å; R181-Y203 PolarHBondContact NH2-OH 3.35Å; R181-Y203 VanDerWaalsContact O-CD2 3.31Å; R181-Y203 WeakPolarHBondContact O-CD2 3.5Å; R181-H320 PolarHBondContact NH2-NE2 3.15Å |
| 182 | V | 96.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -58.9 | -25.4 | 176.6 | 76.9 | 0 | 0 | 0 | 0 | 112.3 | Y179 L180 F199 S200 L204 L219 V223 | Y179-V182 VanDerWaalsContact O-CB 3.26Å; Y179-V182 WeakPolarHBondContact O-CB 3.33Å; Y179-V182 WeakPolarHBondContact O-CG1 3.11Å; Y179-V182 PolarHBondContact O-N 3.37Å; L180-V182 PolarHBondContact O-N 3.35Å; L180-V182 VanDerWaalsContact O-N 3.13Å; V182-F199 HydrophobicContact CG2-CD2 4.4Å; V182-F199 HydrophobicContact CG2-CE1 3.95Å; V182-F199 HydrophobicContact CG2-CE2 3.85Å; V182-F199 HydrophobicContact CG2-CZ 3.6Å; V182-F199 CarbonylContact O-C 3.54Å; V182-F199 VanDerWaalsContact O-CA 3.25Å; V182-F199 WeakPolarHBondContact O-CA 3.32Å; V182-S200 PolarHBondContact O-N 3.47Å; V182-L204 HydrophobicContact CG2-CD2 3.84Å; V182-L204 HydrophobicContact CG2-CG 3.93Å; V182-L219 HydrophobicContact CG1-CD1 3.78Å; V182-L219 HydrophobicContact CG1-CD2 4.22Å; V182-L219 HydrophobicContact CG1-CG 4.1Å; V182-V223 HydrophobicContact CG1-CG2 3.92Å |
| 183 | I | 95.8 | Very high | 91.8 | Very high | 13 Ų | 13 | 64.1 Ų | 64.1 | 7% | 0.067 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 130.7 | 175 | -169 | 178 | 0 | 0 | 0 | 110.4 | L180 R181 I197 V198 Y222 V223 L227 | L180-I183 PolarHBondContact O-N 3.04Å; R181-I183 PolarHBondContact O-N 2.95Å; I183-I197 HydrophobicContact CD1-CG2 3.72Å; I183-I197 HydrophobicContact CG1-CG2 3.67Å; I183-V198 CarbonylContact C-O 3.59Å; I183-V198 VanDerWaalsContact CA-O 3.31Å; I183-V198 WeakPolarHBondContact CA-O 3.38Å; I183-Y222 HydrophobicContact CG2-CD1 4.26Å; I183-Y222 HydrophobicContact CG2-CE1 3.61Å; I183-V223 HydrophobicContact CB-CG2 4.34Å; I183-V223 HydrophobicContact CD1-CG1 4.33Å; I183-V223 HydrophobicContact CG2-CG2 4.21Å; I183-L227 HydrophobicContact CD1-CD2 4.44Å; I183-L227 HydrophobicContact CD1-CG 4.42Å |
| 184 | T | 95.1 | Very high | 91.5 | Very high | 39 Ų | 39 | 64 Ų | 64 | 24% | 0.239 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 155.3 | 174.7 | 61 | 0 | 0 | 0 | 0 | 110.9 | V198 | T184-V198 PolarHBondContact N-O 3.12Å; T184-V198 PolarHBondContact O-N 2.99Å |
| 185 | H | 93.7 | Very high | 91.4 | Very high | 70 Ų | 70 | 59.4 Ų | 59.4 | 32% | 0.324 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 122.2 | 172.3 | -177.1 | -105.3 | 0 | 0 | 0 | 109.3 | G187 Y188 | H185-G187 VanDerWaalsContact CE1-CA 3.5Å; H185-G187 WeakPolarHBondContact CE1-CA 3.45Å; H185-G187 PolarHBondContact CE1-O 3.29Å; H185-G187 PolarHBondContact ND1-N 3.43Å; H185-G187 PolarHBondContact NE2-O 2.94Å; H185-Y188 AromaticContact CE1-CD2 3.9Å; H185-Y188 AromaticContact CE1-CE2 3.5Å; H185-Y188 AromaticContact CE1-CZ 3.63Å; H185-Y188 AromaticContact NE2-CE1 3.81Å; H185-Y188 AromaticContact NE2-CE2 4Å; H185-Y188 AromaticContact NE2-CZ 3.69Å |
| 186 | G | 93.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 15.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | I196 H318 | G186-I196 PolarHBondContact N-O 3Å; G186-H318 CarbonylContact C-O 3.56Å; G186-H318 WeakPolarHBondContact CA-O 3.24Å; G186-H318 CarbonylContact O-C 3.58Å; G186-H318 WeakPolarHBondContact O-CB 3.48Å |
| 187 | G | 92.1 | Very high | 91.3 | Very high | 8 Ų | 8 | 57.3 Ų | 57.3 | 8% | 0.082 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 89.3 | -162.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | H185 I196 | H185-G187 VanDerWaalsContact CE1-CA 3.5Å; H185-G187 WeakPolarHBondContact CE1-CA 3.45Å; H185-G187 PolarHBondContact CE1-O 3.29Å; H185-G187 PolarHBondContact ND1-N 3.43Å; H185-G187 PolarHBondContact NE2-O 2.94Å; G187-I196 WeakPolarHBondContact O-CB 3.45Å; G187-I196 PolarHBondContact O-N 3.28Å |
| 188 | Y | 90.5 | Very high | 91.4 | Very high | 132 Ų | 132 | 49.8 Ų | 49.8 | 52% | 0.518 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 155.7 | -178.3 | -60.5 | -88.3 | 0 | 0 | 0 | 111 | H185 G192 N194 A195 | H185-Y188 AromaticContact CE1-CD2 3.9Å; H185-Y188 AromaticContact CE1-CE2 3.5Å; H185-Y188 AromaticContact CE1-CZ 3.63Å; H185-Y188 AromaticContact NE2-CE1 3.81Å; H185-Y188 AromaticContact NE2-CE2 4Å; H185-Y188 AromaticContact NE2-CZ 3.69Å; Y188-G192 VanDerWaalsContact CB-O 3.31Å; Y188-G192 WeakPolarHBondContact CB-O 3.22Å; Y188-G192 WeakPolarHBondContact CD1-O 3.39Å; Y188-G192 VanDerWaalsContact CG-O 3.31Å; Y188-N194 CarbonylContact C-O 3.46Å; Y188-N194 VanDerWaalsContact CA-O 3.23Å; Y188-N194 WeakPolarHBondContact CA-O 3.4Å; Y188-A195 HydrophobicContact CD1-CB 4.4Å; Y188-A195 HydrophobicContact CE1-CB 4.33Å |
| 189 | Y | 85.5 | Confident | 91.4 | Very high | 29 Ų | 29 | 47.2 Ų | 47.2 | 11% | 0.114 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 160.5 | 177.9 | 76.4 | -81.5 | 0 | 0 | 0 | 113.2 | N194 I196 L236 K271 | Y189-N194 HydrophobicContact CD1-CB 3.67Å; Y189-N194 WeakPolarHBondContact CD1-O 3.5Å; Y189-N194 HydrophobicContact CD2-CB 4.39Å; Y189-N194 HydrophobicContact CE1-CB 3.2Å; Y189-N194 HydrophobicContact CE2-CB 4Å; Y189-N194 HydrophobicContact CG-CB 4.23Å; Y189-N194 PolarHBondContact N-O 2.97Å; Y189-N194 PolarHBondContact O-ND2 2.87Å; Y189-I196 HydrophobicContact CD1-CG1 3.73Å; Y189-I196 HydrophobicContact CG-CG1 4.34Å; Y189-L236 HydrophobicContact CD1-CB 4.18Å; Y189-L236 HydrophobicContact CE1-CB 3.61Å; Y189-K271 HydrophobicContact CE2-CD 3.89Å; Y189-K271 WeakPolarHBondContact OH-CB 3.31Å; Y189-K271 WeakPolarHBondContact OH-CD 3.23Å |
| 190 | G | 82.6 | Confident | 91.4 | Very high | 69 Ų | 69 | 44.9 Ų | 44.9 | 71% | 0.711 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | -136.2 | -167.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | G192 | G190-G192 PolarHBondContact O-N 3.29Š|
| 191 | E | 81.7 | Confident | 91.4 | Very high | 183 Ų | 183 | 42.6 Ų | 42.6 | 86% | 0.855 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 25.1 | 179.1 | -57.7 | -177.9 | 169 | 0 | 0 | 113.5 | L193 | E191-L193 VanDerWaalsContact C-N 3.29Å; E191-L193 PolarHBondContact O-N 3.45Å |
| 192 | G | 78 | Confident | 91.4 | Very high | 39 Ų | 39 | 36.9 Ų | 36.9 | 40% | 0.402 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | -0.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y188 G190 | Y188-G192 VanDerWaalsContact CB-O 3.31Å; Y188-G192 WeakPolarHBondContact CB-O 3.22Å; Y188-G192 WeakPolarHBondContact CD1-O 3.39Å; Y188-G192 VanDerWaalsContact CG-O 3.31Å; G190-G192 PolarHBondContact O-N 3.29Å |
| 193 | L | 81.4 | Confident | 91.4 | Very high | 114 Ų | 114 | 39.1 Ų | 39.1 | 60% | 0.597 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -29.4 | -177.6 | -58.3 | 177.4 | 0 | 0 | 0 | 113.8 | E191 | E191-L193 VanDerWaalsContact C-N 3.29Å; E191-L193 PolarHBondContact O-N 3.45Å |
| 194 | N | 89 | Confident | 91.4 | Very high | 24 Ų | 24 | 38.9 Ų | 38.9 | 13% | 0.128 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.8 | -168.3 | -51.8 | -90.1 | 0 | 0 | 0 | 110.9 | Y188 Y189 D234 | Y188-N194 CarbonylContact C-O 3.46Å; Y188-N194 VanDerWaalsContact CA-O 3.23Å; Y188-N194 WeakPolarHBondContact CA-O 3.4Å; Y189-N194 HydrophobicContact CD1-CB 3.67Å; Y189-N194 WeakPolarHBondContact CD1-O 3.5Å; Y189-N194 HydrophobicContact CD2-CB 4.39Å; Y189-N194 HydrophobicContact CE1-CB 3.2Å; Y189-N194 HydrophobicContact CE2-CB 4Å; Y189-N194 HydrophobicContact CG-CB 4.23Å; Y189-N194 PolarHBondContact N-O 2.97Å; Y189-N194 PolarHBondContact O-ND2 2.87Å; N194-D234 WeakPolarHBondContact CA-O 3.43Å; N194-D234 WeakPolarHBondContact CB-O 3.3Å; N194-D234 WeakPolarHBondContact OD1-CB 3.33Å; N194-D234 PolarHBondContact OD1-O 3.35Å |
| 195 | A | 92.7 | Very high | 91.4 | Very high | 5 Ų | 5 | 37 Ų | 37 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 142.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y188 I197 Y235 L236 | Y188-A195 HydrophobicContact CD1-CB 4.4Å; Y188-A195 HydrophobicContact CE1-CB 4.33Å; A195-I197 HydrophobicContact CB-CD1 4.3Å; A195-Y235 WeakPolarHBondContact O-CA 3.31Å; A195-Y235 WeakPolarHBondContact O-CB 3.32Å; A195-L236 PolarHBondContact O-N 3.42Å |
| 196 | I | 95 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 124.4 | 164.3 | -54.4 | 176.1 | 0 | 0 | 0 | 107.9 | G186 G187 Y189 L236 I238 P315 V319 | G186-I196 PolarHBondContact N-O 3Å; G187-I196 WeakPolarHBondContact O-CB 3.45Å; G187-I196 PolarHBondContact O-N 3.28Å; Y189-I196 HydrophobicContact CD1-CG1 3.73Å; Y189-I196 HydrophobicContact CG-CG1 4.34Å; I196-L236 HydrophobicContact CG2-CD2 4.33Å; I196-I238 HydrophobicContact CG2-CD1 3.6Å; I196-I238 HydrophobicContact CG2-CG1 4.01Å; I196-P315 HydrophobicContact CD1-CG 3.82Å; I196-V319 HydrophobicContact CG2-CG2 4.38Å |
| 197 | I | 95.7 | Very high | 91.5 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 124 | 175.2 | -51.6 | -59.7 | 0 | 0 | 0 | 108.4 | I183 A195 L227 L230 Y235 L236 I237 I238 | I183-I197 HydrophobicContact CD1-CG2 3.72Å; I183-I197 HydrophobicContact CG1-CG2 3.67Å; A195-I197 HydrophobicContact CB-CD1 4.3Å; I197-L227 HydrophobicContact CB-CD2 4.32Å; I197-L227 HydrophobicContact CG1-CD2 3.94Å; I197-L227 HydrophobicContact CG2-CD2 3.88Å; I197-L230 HydrophobicContact CD1-CB 3.89Å; I197-L230 HydrophobicContact CD1-CD1 3.56Å; I197-L230 HydrophobicContact CD1-CG 4.33Å; I197-Y235 HydrophobicContact CG1-CD2 3.94Å; I197-Y235 HydrophobicContact CG1-CE2 4.5Å; I197-L236 PolarHBondContact N-O 2.89Å; I197-I237 HydrophobicContact CB-CG1 4.28Å; I197-I237 CarbonylContact O-C 3.58Å; I197-I237 VanDerWaalsContact O-CA 3.3Å; I197-I237 WeakPolarHBondContact O-CA 3.35Å; I197-I238 PolarHBondContact O-N 2.87Å |
| 198 | V | 97 | Very high | 91.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 122.2 | 176 | -172.5 | 0 | 0 | 0 | 0 | 108.5 | I183 T184 I238 M240 V319 | I183-V198 CarbonylContact C-O 3.59Å; I183-V198 VanDerWaalsContact CA-O 3.31Å; I183-V198 WeakPolarHBondContact CA-O 3.38Å; T184-V198 PolarHBondContact N-O 3.12Å; T184-V198 PolarHBondContact O-N 2.99Å; V198-I238 CarbonylContact C-O 3.57Å; V198-I238 WeakPolarHBondContact CA-O 3.41Å; V198-I238 HydrophobicContact CG2-CD1 4.37Å; V198-M240 HydrophobicContact CG1-CE 3.68Å; V198-M240 HydrophobicContact CG1-CG 4.16Å; V198-M240 HydrophobicContact CG1-SD 3.79Å; V198-V319 HydrophobicContact CG2-CG1 3.98Å |
| 199 | F | 97.1 | Very high | 91.8 | Very high | 37 Ų | 37 | 38.2 Ų | 38.2 | 16% | 0.162 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 110 | 170.4 | -171.7 | -81 | 0 | 0 | 0 | 109.2 | V182 A201 L204 V223 I237 I238 Y239 M240 | V182-F199 HydrophobicContact CG2-CD2 4.4Å; V182-F199 HydrophobicContact CG2-CE1 3.95Å; V182-F199 HydrophobicContact CG2-CE2 3.85Å; V182-F199 HydrophobicContact CG2-CZ 3.6Å; V182-F199 CarbonylContact O-C 3.54Å; V182-F199 VanDerWaalsContact O-CA 3.25Å; V182-F199 WeakPolarHBondContact O-CA 3.32Å; F199-A201 HydrophobicContact CE1-CB 4.31Å; F199-L204 HydrophobicContact CE1-CD1 4.14Å; F199-L204 HydrophobicContact CE1-CG 4.49Å; F199-L204 HydrophobicContact CZ-CD1 4.31Å; F199-L204 HydrophobicContact CZ-CD2 4.14Å; F199-L204 HydrophobicContact CZ-CG 4.42Å; F199-V223 HydrophobicContact CD2-CG1 4.46Å; F199-V223 HydrophobicContact CE2-CG1 4.28Å; F199-V223 HydrophobicContact CE2-CG2 4.11Å; F199-I237 HydrophobicContact CB-CG2 4.44Å; F199-I238 PolarHBondContact N-O 2.96Å; F199-Y239 HydrophobicContact CB-CD2 4.2Å; F199-Y239 AromaticContact CD1-CD2 3.39Å; F199-Y239 HydrophobicContact CD1-CD2 3.39Å; F199-Y239 AromaticContact CD1-CE2 3.31Å; F199-Y239 HydrophobicContact CD1-CE2 3.31Å; F199-Y239 HydrophobicContact CD1-CG 4.37Å; F199-Y239 HydrophobicContact CE1-CD2 4.02Å; F199-Y239 AromaticContact CE1-CE2 3.44Å; F199-Y239 HydrophobicContact CE1-CE2 3.44Å; F199-Y239 VanDerWaalsContact CE1-CE2 3.44Å; F199-Y239 HydrophobicContact CG-CD2 4.01Å; F199-Y239 HydrophobicContact CG-CE2 4.28Å; F199-Y239 HydrophobicContact CZ-CE2 4.48Å; F199-M240 PolarHBondContact O-N 2.81Å |
| 200 | S | 96.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 93.9 | -176.3 | -65.3 | 0 | 0 | 0 | 0 | 110.9 | V182 C202 Y203 P322 | V182-S200 PolarHBondContact O-N 3.47Å; S200-C202 PolarHBondContact O-N 3.14Å; S200-C202 VanDerWaalsContact O-N 3.13Å; S200-Y203 PolarHBondContact O-N 3.16Å; S200-Y203 VanDerWaalsContact O-N 3.11Å; S200-P322 WeakPolarHBondContact OG-CG 3.47Å |
| 201 | A | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -61.7 | -24.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114 | F199 Y203 L204 Y239 M240 T244 M249 | F199-A201 HydrophobicContact CE1-CB 4.31Å; A201-Y203 PolarHBondContact O-N 2.86Å; A201-Y203 VanDerWaalsContact O-N 3.15Å; A201-L204 HydrophobicContact CB-CD1 4.28Å; A201-L204 WeakPolarHBondContact O-CB 3.44Å; A201-L204 WeakPolarHBondContact O-CG 3.27Å; A201-L204 PolarHBondContact O-N 2.92Å; A201-Y239 HydrophobicContact CB-CE1 4.06Å; A201-Y239 HydrophobicContact CB-CE2 4.48Å; A201-M240 VanDerWaalsContact CB-O 3.32Å; A201-M240 WeakPolarHBondContact CB-O 3.36Å; A201-M240 PolarHBondContact N-O 2.97Å; A201-T244 HydrophobicContact CB-CG2 4.03Å; A201-T244 WeakPolarHBondContact O-CG2 3.41Å; A201-M249 HydrophobicContact CB-CE 3.8Å |
| 202 | C | 94.3 | Very high | 93.4 | Very high | 9 Ų | 9 | 37 Ų | 37 | 6% | 0.061 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -59.5 | -24.2 | 176.4 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | S200 T244 K248 P322 C324 | S200-C202 PolarHBondContact O-N 3.14Å; S200-C202 VanDerWaalsContact O-N 3.13Å; C202-T244 WeakPolarHBondContact CA-OG1 3.36Å; C202-T244 PolarHBondContact N-OG1 3.13Å; C202-T244 VanDerWaalsContact N-OG1 3.1Å; C202-K248 PolarHBondContact O-NZ 2.93Å; C202-P322 VanDerWaalsContact SG-CB 3.57Å; C202-P322 VanDerWaalsContact SG-CG 3.58Å; C202-C324 VanDerWaalsContact CB-SG 3.5Å |
| 203 | Y | 95.8 | Very high | 94.2 | Very high | 47 Ų | 47 | 41.2 Ų | 41.2 | 18% | 0.184 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -92.4 | 7.5 | 177.9 | -55 | -48.3 | 0 | 0 | 0 | 114.1 | Y179 R181 S200 A201 P322 | Y179-Y203 WeakPolarHBondContact CD1-O 3.37Å; R181-Y203 HydrophobicContact CB-CD2 3.64Å; R181-Y203 HydrophobicContact CB-CE2 4.02Å; R181-Y203 HydrophobicContact CB-CG 4Å; R181-Y203 PolarHBondContact NH2-OH 3.35Å; R181-Y203 VanDerWaalsContact O-CD2 3.31Å; R181-Y203 WeakPolarHBondContact O-CD2 3.5Å; S200-Y203 PolarHBondContact O-N 3.16Å; S200-Y203 VanDerWaalsContact O-N 3.11Å; A201-Y203 PolarHBondContact O-N 2.86Å; A201-Y203 VanDerWaalsContact O-N 3.15Å; Y203-P322 HydrophobicContact CE2-CB 4.18Å; Y203-P322 HydrophobicContact CE2-CG 3.85Å; Y203-P322 WeakPolarHBondContact OH-CB 3.34Å |
| 204 | L | 95.8 | Very high | 94.9 | Very high | 7 Ų | 7 | 39.2 Ų | 39.2 | 4% | 0.037 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -66.7 | 150.1 | 168.4 | -74.6 | 167.1 | 0 | 0 | 0 | 111.3 | V182 F199 A201 M216 L219 K248 M249 | V182-L204 HydrophobicContact CG2-CD2 3.84Å; V182-L204 HydrophobicContact CG2-CG 3.93Å; F199-L204 HydrophobicContact CE1-CD1 4.14Å; F199-L204 HydrophobicContact CE1-CG 4.49Å; F199-L204 HydrophobicContact CZ-CD1 4.31Å; F199-L204 HydrophobicContact CZ-CD2 4.14Å; F199-L204 HydrophobicContact CZ-CG 4.42Å; A201-L204 HydrophobicContact CB-CD1 4.28Å; A201-L204 WeakPolarHBondContact O-CB 3.44Å; A201-L204 WeakPolarHBondContact O-CG 3.27Å; A201-L204 PolarHBondContact O-N 2.92Å; L204-M216 HydrophobicContact CD2-CE 4.11Å; L204-M216 HydrophobicContact CD2-SD 3.97Å; L204-L219 HydrophobicContact CD2-CD2 3.98Å; L204-K248 HydrophobicContact CB-CB 4.16Å; L204-K248 WeakPolarHBondContact CD1-O 3.25Å; L204-K248 VanDerWaalsContact O-CD 3.24Å; L204-K248 WeakPolarHBondContact O-CD 3.31Å; L204-K248 WeakPolarHBondContact O-CE 3.47Å; L204-M249 HydrophobicContact CD1-CE 3.65Å |
| 205 | P | 95.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 149.8 | 170.7 | 28.4 | -35.8 | 0 | 0 | 0 | 110.7 | Y179 Y212 I215 M216 K248 | Y179-P205 HydrophobicContact CD1-CB 4.29Å; Y179-P205 HydrophobicContact CE1-CB 3.78Å; Y179-P205 HydrophobicContact CE2-CB 4.21Å; P205-Y212 HydrophobicContact CB-CD2 4.18Å; P205-Y212 HydrophobicContact CB-CE2 4.33Å; P205-Y212 HydrophobicContact CG-CD2 4.12Å; P205-Y212 HydrophobicContact CG-CE2 3.96Å; P205-I215 HydrophobicContact CB-CG2 4.14Å; P205-I215 HydrophobicContact CG-CG2 3.98Å; P205-M216 HydrophobicContact CG-CG 3.83Å; P205-M216 HydrophobicContact CG-SD 3.38Å; P205-M216 WeakPolarHBondContact CG-SD 3.28Å; P205-K248 WeakPolarHBondContact O-CA 3.24Å |
| 206 | D | 95 | Very high | 95.4 | Very high | 43 Ų | 43 | 38.7 Ų | 38.7 | 23% | 0.23 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -81.3 | 140.7 | 173.8 | -165.6 | -78.1 | 0 | 0 | 0 | 110.5 | S208 C209 Y212 S247 K248 | D206-S208 PolarHBondContact O-N 3.17Å; D206-S208 WeakPolarHBondContact OD1-CB 3.43Å; D206-S208 PolarHBondContact OD1-N 3.41Å; D206-S208 PolarHBondContact OD1-OG 3.04Å; D206-C209 WeakPolarHBondContact O-CB 3.41Å; D206-C209 PolarHBondContact O-N 3.3Å; D206-C209 PolarHBondContact O-SG 3.42Å; D206-Y212 WeakPolarHBondContact O-CD2 3.5Å; D206-S247 WeakPolarHBondContact OD2-CB 3.27Å; D206-S247 PolarHBondContact OD2-OG 3.09Å; D206-K248 HydrophobicContact CB-CG 4.23Å |
| 207 | S | 94.8 | Very high | 95.3 | Very high | 66 Ų | 66 | 43.4 Ų | 43.4 | 46% | 0.462 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -18.3 | 177.8 | 56.2 | 0 | 0 | 0 | 0 | 114.7 | C209 S247 | S207-C209 VanDerWaalsContact C-N 3.34Å; S207-S247 WeakPolarHBondContact CB-O 3.27Å; S207-S247 PolarHBondContact N-O 3.32Å; S207-S247 PolarHBondContact OG-O 3.14Å; S207-S247 VanDerWaalsContact OG-O 3.06Å |
| 208 | S | 94.2 | Very high | 95.4 | Very high | 99 Ų | 99 | 43.7 Ų | 43.7 | 69% | 0.692 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -9.7 | 174.9 | 59.1 | 0 | 0 | 0 | 0 | 114.6 | D206 | D206-S208 PolarHBondContact O-N 3.17Å; D206-S208 WeakPolarHBondContact OD1-CB 3.43Å; D206-S208 PolarHBondContact OD1-N 3.41Å; D206-S208 PolarHBondContact OD1-OG 3.04Å |
| 209 | C | 94.5 | Very high | 95.4 | Very high | 28 Ų | 28 | 43.9 Ų | 43.9 | 19% | 0.189 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -74.7 | 146.8 | -179.2 | 75 | 0 | 0 | 0 | 0 | 112.4 | D206 S207 Y212 | D206-C209 WeakPolarHBondContact O-CB 3.41Å; D206-C209 PolarHBondContact O-N 3.3Å; D206-C209 PolarHBondContact O-SG 3.42Å; S207-C209 VanDerWaalsContact C-N 3.34Å; C209-Y212 PolarHBondContact O-N 3.01Å |
| 210 | P | 94.6 | Very high | 95.3 | Very high | 106 Ų | 106 | 43 Ų | 43 | 69% | 0.688 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 148 | 172.1 | 27.6 | -35.1 | 0 | 0 | 0 | 110.3 | Y212 I215 | P210-Y212 PolarHBondContact O-N 3.05Å; P210-Y212 VanDerWaalsContact O-N 3.11Å; P210-I215 WeakPolarHBondContact O-CD1 3.04Å |
| 211 | D | 94.1 | Very high | 95.2 | Very high | 122 Ų | 122 | 43.9 Ų | 43.9 | 65% | 0.652 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 23.3 | -179.3 | -55.7 | -34.4 | 0 | 0 | 0 | 115 | H213 Y214 I215 | D211-H213 VanDerWaalsContact C-N 3.25Å; D211-H213 PolarHBondContact O-N 2.97Å; D211-Y214 WeakPolarHBondContact O-CA 2.98Å; D211-Y214 WeakPolarHBondContact O-CB 3.48Å; D211-Y214 PolarHBondContact O-N 3.31Å; D211-I215 WeakPolarHBondContact O-CG1 3.37Å; D211-I215 PolarHBondContact O-N 3.44Å |
| 212 | Y | 94.9 | Very high | 95.2 | Very high | 28 Ų | 28 | 45.6 Ų | 45.6 | 11% | 0.11 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -44 | -45.9 | -178.2 | 172 | -101.8 | 0 | 0 | 0 | 114.1 | P205 D206 C209 P210 I215 M216 | P205-Y212 HydrophobicContact CB-CD2 4.18Å; P205-Y212 HydrophobicContact CB-CE2 4.33Å; P205-Y212 HydrophobicContact CG-CD2 4.12Å; P205-Y212 HydrophobicContact CG-CE2 3.96Å; D206-Y212 WeakPolarHBondContact O-CD2 3.5Å; C209-Y212 PolarHBondContact O-N 3.01Å; P210-Y212 PolarHBondContact O-N 3.05Å; P210-Y212 VanDerWaalsContact O-N 3.11Å; Y212-I215 PolarHBondContact O-N 3.35Å; Y212-M216 HydrophobicContact CD1-CG 4.42Å; Y212-M216 HydrophobicContact CD2-CG 4.03Å; Y212-M216 HydrophobicContact CE1-CG 4.02Å; Y212-M216 HydrophobicContact CE2-CG 3.6Å; Y212-M216 HydrophobicContact CE2-SD 4.2Å; Y212-M216 HydrophobicContact CG-CG 4.43Å; Y212-M216 WeakPolarHBondContact O-CB 3.39Å; Y212-M216 VanDerWaalsContact O-CG 3.29Å; Y212-M216 WeakPolarHBondContact O-CG 3.34Å; Y212-M216 PolarHBondContact O-N 2.83Å |
| 213 | H | 93.8 | Very high | 95.3 | Very high | 126 Ų | 126 | 46 Ų | 46 | 58% | 0.583 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63.6 | -45.9 | 178.9 | -75.6 | -66.2 | 0 | 0 | 0 | 112.5 | D211 M216 E217 | D211-H213 VanDerWaalsContact C-N 3.25Å; D211-H213 PolarHBondContact O-N 2.97Å; H213-M216 PolarHBondContact O-N 3.47Å; H213-E217 WeakPolarHBondContact O-CB 3.42Å; H213-E217 VanDerWaalsContact O-CG 3.32Å; H213-E217 WeakPolarHBondContact O-CG 3.43Å; H213-E217 PolarHBondContact O-N 3.44Å |
| 214 | Y | 95.8 | Very high | 95.1 | Very high | 73 Ų | 73 | 43.8 Ų | 43.8 | 29% | 0.286 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.7 | -40.4 | 177.4 | -179.7 | -117.2 | 0 | 0 | 0 | 111.6 | W159 I175 D211 N218 | W159-Y214 WeakPolarHBondContact CH2-OH 3.45Å; I175-Y214 HydrophobicContact CD1-CD1 3.52Å; I175-Y214 HydrophobicContact CD1-CE1 3.37Å; I175-Y214 HydrophobicContact CD1-CG 4.33Å; I175-Y214 HydrophobicContact CG1-CE1 4.23Å; I175-Y214 HydrophobicContact CG2-CE1 4.5Å; D211-Y214 WeakPolarHBondContact O-CA 2.98Å; D211-Y214 WeakPolarHBondContact O-CB 3.48Å; D211-Y214 PolarHBondContact O-N 3.31Å; Y214-N218 WeakPolarHBondContact CD2-ND2 3.33Å; Y214-N218 WeakPolarHBondContact CE2-ND2 3.39Å; Y214-N218 PolarHBondContact O-N 3.24Å; Y214-N218 VanDerWaalsContact O-N 3.11Å; Y214-N218 PolarHBondContact O-ND2 3.36Å |
| 215 | I | 96.5 | Very high | 95 | Very high | 16 Ų | 16 | 43.8 Ų | 43.8 | 8% | 0.082 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.9 | -48.5 | 173.2 | -62.9 | 169.9 | 0 | 0 | 0 | 110.6 | I175 Y179 P205 P210 D211 Y212 E217 N218 L219 | I175-I215 HydrophobicContact CD1-CG1 4.31Å; Y179-I215 HydrophobicContact CD2-CG2 3.72Å; Y179-I215 HydrophobicContact CE2-CD1 4.47Å; Y179-I215 HydrophobicContact CE2-CG2 3.53Å; P205-I215 HydrophobicContact CB-CG2 4.14Å; P205-I215 HydrophobicContact CG-CG2 3.98Å; P210-I215 WeakPolarHBondContact O-CD1 3.04Å; D211-I215 WeakPolarHBondContact O-CG1 3.37Å; D211-I215 PolarHBondContact O-N 3.44Å; Y212-I215 PolarHBondContact O-N 3.35Å; I215-E217 PolarHBondContact O-N 2.87Å; I215-N218 PolarHBondContact O-N 3.38Å; I215-L219 WeakPolarHBondContact O-CB 3.19Å; I215-L219 PolarHBondContact O-N 3.26Å |
| 216 | M | 95.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.1 | -38.2 | -179.2 | -77.6 | -65.9 | -77 | 0 | 0 | 113 | L204 P205 Y212 H213 L219 F220 P250 W254 | L204-M216 HydrophobicContact CD2-CE 4.11Å; L204-M216 HydrophobicContact CD2-SD 3.97Å; P205-M216 HydrophobicContact CG-CG 3.83Å; P205-M216 HydrophobicContact CG-SD 3.38Å; P205-M216 WeakPolarHBondContact CG-SD 3.28Å; Y212-M216 HydrophobicContact CD1-CG 4.42Å; Y212-M216 HydrophobicContact CD2-CG 4.03Å; Y212-M216 HydrophobicContact CE1-CG 4.02Å; Y212-M216 HydrophobicContact CE2-CG 3.6Å; Y212-M216 HydrophobicContact CE2-SD 4.2Å; Y212-M216 HydrophobicContact CG-CG 4.43Å; Y212-M216 WeakPolarHBondContact O-CB 3.39Å; Y212-M216 VanDerWaalsContact O-CG 3.29Å; Y212-M216 WeakPolarHBondContact O-CG 3.34Å; Y212-M216 PolarHBondContact O-N 2.83Å; H213-M216 PolarHBondContact O-N 3.47Å; M216-L219 PolarHBondContact O-N 3.47Å; M216-L219 HydrophobicContact SD-CD2 4.49Å; M216-F220 VanDerWaalsContact O-CB 3.3Å; M216-F220 WeakPolarHBondContact O-CB 3.12Å; M216-F220 PolarHBondContact O-N 3.21Å; M216-P250 HydrophobicContact CE-CB 3.76Å; M216-P250 HydrophobicContact CE-CG 3.88Å; M216-W254 HydrophobicContact CB-CZ2 4.15Å; M216-W254 HydrophobicContact CE-CH2 3.74Å; M216-W254 HydrophobicContact CE-CZ2 3.68Å; M216-W254 HydrophobicContact CE-CZ3 4.2Å |
| 217 | E | 94.8 | Very high | 94.6 | Very high | 99 Ų | 99 | 42.9 Ų | 42.9 | 46% | 0.463 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.4 | -48.9 | 176 | -75.3 | 170.3 | -178.4 | 0 | 0 | 111.5 | H213 I215 L219 F220 L221 | H213-E217 WeakPolarHBondContact O-CB 3.42Å; H213-E217 VanDerWaalsContact O-CG 3.32Å; H213-E217 WeakPolarHBondContact O-CG 3.43Å; H213-E217 PolarHBondContact O-N 3.44Å; I215-E217 PolarHBondContact O-N 2.87Å; E217-L219 VanDerWaalsContact C-N 3.33Å; E217-L219 PolarHBondContact O-N 2.98Å; E217-F220 PolarHBondContact O-N 3.33Å; E217-L221 WeakPolarHBondContact O-CG 3.32Å; E217-L221 PolarHBondContact O-N 3.23Å |
| 218 | N | 96.3 | Very high | 94.3 | Very high | 8 Ų | 8 | 41.6 Ų | 41.6 | 4% | 0.043 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.7 | -38.2 | 175.6 | -76.3 | -90.1 | 0 | 0 | 0 | 112.1 | I171 D172 I175 I176 Y214 I215 L221 Y222 | I171-N218 WeakPolarHBondContact CA-OD1 3.41Å; I171-N218 HydrophobicContact CG2-CB 4.23Å; D172-N218 PolarHBondContact N-OD1 3.25Å; I175-N218 HydrophobicContact CD1-CB 3.88Å; I176-N218 HydrophobicContact CG2-CB 3.59Å; Y214-N218 WeakPolarHBondContact CD2-ND2 3.33Å; Y214-N218 WeakPolarHBondContact CE2-ND2 3.39Å; Y214-N218 PolarHBondContact O-N 3.24Å; Y214-N218 VanDerWaalsContact O-N 3.11Å; Y214-N218 PolarHBondContact O-ND2 3.36Å; I215-N218 PolarHBondContact O-N 3.38Å; N218-L221 PolarHBondContact O-N 2.9Å; N218-Y222 WeakPolarHBondContact O-CB 3.47Å; N218-Y222 PolarHBondContact O-N 3.26Å |
| 219 | L | 96.6 | Very high | 93.8 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.5 | -36.4 | 178.7 | -171.7 | 63.1 | 0 | 0 | 0 | 111.5 | I176 V182 L204 I215 M216 E217 Y222 V223 | I176-L219 HydrophobicContact CB-CD1 4.2Å; I176-L219 HydrophobicContact CG2-CB 4.04Å; I176-L219 HydrophobicContact CG2-CD1 4.45Å; V182-L219 HydrophobicContact CG1-CD1 3.78Å; V182-L219 HydrophobicContact CG1-CD2 4.22Å; V182-L219 HydrophobicContact CG1-CG 4.1Å; L204-L219 HydrophobicContact CD2-CD2 3.98Å; I215-L219 WeakPolarHBondContact O-CB 3.19Å; I215-L219 PolarHBondContact O-N 3.26Å; M216-L219 PolarHBondContact O-N 3.47Å; M216-L219 HydrophobicContact SD-CD2 4.49Å; E217-L219 VanDerWaalsContact C-N 3.33Å; E217-L219 PolarHBondContact O-N 2.98Å; L219-Y222 HydrophobicContact CD1-CD1 4.23Å; L219-Y222 PolarHBondContact O-N 2.87Å; L219-V223 WeakPolarHBondContact O-CB 3.27Å; L219-V223 VanDerWaalsContact O-CG2 3.29Å; L219-V223 WeakPolarHBondContact O-CG2 3.44Å; L219-V223 PolarHBondContact O-N 3.11Å |
| 220 | F | 95.4 | Very high | 93.2 | Very high | 18 Ų | 18 | 45.6 Ų | 45.6 | 8% | 0.079 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67 | -45.5 | 173.8 | 172.2 | -107 | 0 | 0 | 0 | 112.2 | M216 E217 Y222 V223 V224 W254 C258 M261 I262 | M216-F220 VanDerWaalsContact O-CB 3.3Å; M216-F220 WeakPolarHBondContact O-CB 3.12Å; M216-F220 PolarHBondContact O-N 3.21Å; E217-F220 PolarHBondContact O-N 3.33Å; F220-Y222 VanDerWaalsContact C-N 3.25Å; F220-Y222 PolarHBondContact O-N 3.22Å; F220-V223 PolarHBondContact O-N 3.15Å; F220-V223 VanDerWaalsContact O-N 3.13Å; F220-V224 HydrophobicContact CD1-CG2 4.46Å; F220-V224 HydrophobicContact CD2-CG2 3.95Å; F220-V224 HydrophobicContact CE1-CG2 3.94Å; F220-V224 HydrophobicContact CE2-CG2 3.35Å; F220-V224 HydrophobicContact CG-CG2 4.46Å; F220-V224 HydrophobicContact CZ-CG2 3.35Å; F220-V224 WeakPolarHBondContact O-CG2 3.44Å; F220-V224 PolarHBondContact O-N 3.08Å; F220-W254 HydrophobicContact CB-CH2 3.94Å; F220-W254 HydrophobicContact CB-CZ2 3.62Å; F220-W254 HydrophobicContact CD2-CH2 4.12Å; F220-W254 HydrophobicContact CD2-CZ2 4.48Å; F220-W254 HydrophobicContact CG-CH2 4.28Å; F220-W254 HydrophobicContact CG-CZ2 4.18Å; F220-C258 HydrophobicContact CD2-CB 3.94Å; F220-C258 WeakPolarHBondContact CD2-SG 3.19Å; F220-C258 HydrophobicContact CE1-CB 4.34Å; F220-C258 HydrophobicContact CE2-CB 3.38Å; F220-C258 VanDerWaalsContact CE2-SG 3.54Å; F220-C258 VanDerWaalsContact CZ-CA 3.44Å; F220-C258 HydrophobicContact CZ-CB 3.62Å; F220-C258 WeakPolarHBondContact CZ-O 3.43Å; F220-M261 HydrophobicContact CD1-CE 4.46Å; F220-M261 HydrophobicContact CD1-SD 4.36Å; F220-M261 HydrophobicContact CE1-CB 3.71Å; F220-M261 HydrophobicContact CE1-CE 3.98Å; F220-M261 HydrophobicContact CE1-CG 4.33Å; F220-M261 HydrophobicContact CE1-SD 3.75Å; F220-M261 HydrophobicContact CZ-CB 3.92Å; F220-I262 HydrophobicContact CE2-CD1 4.41Å; F220-I262 HydrophobicContact CE2-CG1 4.2Å; F220-I262 HydrophobicContact CZ-CG1 4.09Å |
| 221 | L | 95.4 | Very high | 92.1 | Very high | 20 Ų | 20 | 40.6 Ų | 40.6 | 11% | 0.105 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.1 | -40.2 | 173.7 | -66.9 | 170.8 | 0 | 0 | 0 | 111.2 | I164 H169 I171 E217 N218 S225 M261 | I164-L221 HydrophobicContact CD1-CB 4.28Å; I164-L221 HydrophobicContact CD1-CD2 3.66Å; H169-L221 HydrophobicContact CB-CD1 4.33Å; H169-L221 HydrophobicContact CB-CD2 4.12Å; I171-L221 HydrophobicContact CD1-CB 3.97Å; I171-L221 HydrophobicContact CG1-CB 3.77Å; E217-L221 WeakPolarHBondContact O-CG 3.32Å; E217-L221 PolarHBondContact O-N 3.23Å; N218-L221 PolarHBondContact O-N 2.9Å; L221-S225 VanDerWaalsContact O-CB 3.26Å; L221-S225 WeakPolarHBondContact O-CB 3.26Å; L221-S225 PolarHBondContact O-N 3.23Å; L221-M261 HydrophobicContact CD2-CE 3.98Å |
| 222 | Y | 95.8 | Very high | 91 | Very high | 37 Ų | 37 | 38.8 Ų | 38.8 | 15% | 0.145 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.7 | -43.1 | 173.9 | 171.2 | -104.2 | 0 | 0 | 0 | 113.1 | M173 I176 L180 I183 N218 L219 F220 S226 | M173-Y222 HydrophobicContact CE-CD2 4.1Å; M173-Y222 HydrophobicContact CE-CE2 4.16Å; M173-Y222 HydrophobicContact SD-CD2 4.4Å; I176-Y222 VanDerWaalsContact CD1-CB 3.46Å; I176-Y222 HydrophobicContact CD1-CD1 4.25Å; I176-Y222 HydrophobicContact CD1-CD2 4.07Å; I176-Y222 HydrophobicContact CD1-CG 3.67Å; L180-Y222 HydrophobicContact CB-CE1 4.33Å; L180-Y222 HydrophobicContact CD2-CD1 3.96Å; L180-Y222 HydrophobicContact CD2-CD2 4.22Å; L180-Y222 HydrophobicContact CD2-CE1 3.62Å; L180-Y222 HydrophobicContact CD2-CE2 3.93Å; L180-Y222 HydrophobicContact CD2-CG 4.24Å; I183-Y222 HydrophobicContact CG2-CD1 4.26Å; I183-Y222 HydrophobicContact CG2-CE1 3.61Å; N218-Y222 WeakPolarHBondContact O-CB 3.47Å; N218-Y222 PolarHBondContact O-N 3.26Å; L219-Y222 HydrophobicContact CD1-CD1 4.23Å; L219-Y222 PolarHBondContact O-N 2.87Å; F220-Y222 VanDerWaalsContact C-N 3.25Å; F220-Y222 PolarHBondContact O-N 3.22Å; Y222-S226 VanDerWaalsContact O-CB 3.26Å; Y222-S226 WeakPolarHBondContact O-CB 3.31Å; Y222-S226 PolarHBondContact O-N 2.85Å; Y222-S226 PolarHBondContact O-OG 3.12Å |
| 223 | V | 94.9 | Very high | 90.3 | Very high | 16 Ų | 16 | 43 Ų | 43 | 10% | 0.097 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.3 | -46.5 | 176.4 | 162.5 | 0 | 0 | 0 | 0 | 111 | V182 I183 F199 L219 F220 S226 L227 | V182-V223 HydrophobicContact CG1-CG2 3.92Å; I183-V223 HydrophobicContact CB-CG2 4.34Å; I183-V223 HydrophobicContact CD1-CG1 4.33Å; I183-V223 HydrophobicContact CG2-CG2 4.21Å; F199-V223 HydrophobicContact CD2-CG1 4.46Å; F199-V223 HydrophobicContact CE2-CG1 4.28Å; F199-V223 HydrophobicContact CE2-CG2 4.11Å; L219-V223 WeakPolarHBondContact O-CB 3.27Å; L219-V223 VanDerWaalsContact O-CG2 3.29Å; L219-V223 WeakPolarHBondContact O-CG2 3.44Å; L219-V223 PolarHBondContact O-N 3.11Å; F220-V223 PolarHBondContact O-N 3.15Å; F220-V223 VanDerWaalsContact O-N 3.13Å; V223-S226 PolarHBondContact O-N 2.74Å; V223-L227 HydrophobicContact CG1-CD1 4.48Å; V223-L227 WeakPolarHBondContact O-CG 3.46Å; V223-L227 PolarHBondContact O-N 3.15Å |
| 224 | V | 93.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.4 | -45.5 | 179 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | I164 F220 S226 L227 E228 I262 L266 | I164-V224 HydrophobicContact CD1-CB 4.13Å; I164-V224 HydrophobicContact CD1-CG1 4.12Å; I164-V224 HydrophobicContact CG1-CG1 4.22Å; I164-V224 HydrophobicContact CG2-CG1 3.57Å; F220-V224 HydrophobicContact CD1-CG2 4.46Å; F220-V224 HydrophobicContact CD2-CG2 3.95Å; F220-V224 HydrophobicContact CE1-CG2 3.94Å; F220-V224 HydrophobicContact CE2-CG2 3.35Å; F220-V224 HydrophobicContact CG-CG2 4.46Å; F220-V224 HydrophobicContact CZ-CG2 3.35Å; F220-V224 WeakPolarHBondContact O-CG2 3.44Å; F220-V224 PolarHBondContact O-N 3.08Å; V224-S226 VanDerWaalsContact C-N 3.27Å; V224-S226 PolarHBondContact O-N 3.25Å; V224-L227 CarbonylContact O-C 3.59Å; V224-L227 WeakPolarHBondContact O-CA 3.33Å; V224-L227 WeakPolarHBondContact O-CB 3.5Å; V224-L227 PolarHBondContact O-N 2.96Å; V224-L227 VanDerWaalsContact O-N 3.07Å; V224-E228 PolarHBondContact O-N 3.24Å; V224-I262 HydrophobicContact CG2-CG1 3.97Å; V224-L266 HydrophobicContact CG1-CD1 4.18Å |
| 225 | S | 92.7 | Very high | 90.1 | Very high | 6 Ų | 6 | 37 Ų | 37 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.7 | -38 | 174.8 | 175.3 | 0 | 0 | 0 | 0 | 112.2 | V162 L221 E228 M229 | V162-S225 VanDerWaalsContact CG1-OG 3.26Å; V162-S225 WeakPolarHBondContact CG1-OG 3.29Å; L221-S225 VanDerWaalsContact O-CB 3.26Å; L221-S225 WeakPolarHBondContact O-CB 3.26Å; L221-S225 PolarHBondContact O-N 3.23Å; S225-E228 PolarHBondContact O-N 2.94Å; S225-M229 VanDerWaalsContact O-CG 3.32Å; S225-M229 WeakPolarHBondContact O-CG 3.31Å; S225-M229 PolarHBondContact O-N 3.35Å |
| 226 | S | 91.8 | Very high | 90.1 | Very high | 16 Ų | 16 | 36.6 Ų | 36.6 | 11% | 0.112 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.3 | -37.6 | 174.6 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | Y222 V223 V224 L230 | Y222-S226 VanDerWaalsContact O-CB 3.26Å; Y222-S226 WeakPolarHBondContact O-CB 3.31Å; Y222-S226 PolarHBondContact O-N 2.85Å; Y222-S226 PolarHBondContact O-OG 3.12Å; V223-S226 PolarHBondContact O-N 2.74Å; V224-S226 VanDerWaalsContact C-N 3.27Å; V224-S226 PolarHBondContact O-N 3.25Å; S226-L230 WeakPolarHBondContact O-CB 3.25Å; S226-L230 WeakPolarHBondContact O-CD1 3.27Å; S226-L230 WeakPolarHBondContact O-CG 3.48Å; S226-L230 PolarHBondContact O-N 2.84Å; S226-L230 VanDerWaalsContact O-N 3.11Å |
| 227 | L | 90.6 | Very high | 90.1 | Very high | 10 Ų | 10 | 37.8 Ų | 37.8 | 5% | 0.052 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.6 | -46.4 | 170.7 | -70.3 | 173.5 | 0 | 0 | 0 | 111.5 | I183 I197 V223 V224 M229 L230 V231 Y235 L266 | I183-L227 HydrophobicContact CD1-CD2 4.44Å; I183-L227 HydrophobicContact CD1-CG 4.42Å; I197-L227 HydrophobicContact CB-CD2 4.32Å; I197-L227 HydrophobicContact CG1-CD2 3.94Å; I197-L227 HydrophobicContact CG2-CD2 3.88Å; V223-L227 HydrophobicContact CG1-CD1 4.48Å; V223-L227 WeakPolarHBondContact O-CG 3.46Å; V223-L227 PolarHBondContact O-N 3.15Å; V224-L227 CarbonylContact O-C 3.59Å; V224-L227 WeakPolarHBondContact O-CA 3.33Å; V224-L227 WeakPolarHBondContact O-CB 3.5Å; V224-L227 PolarHBondContact O-N 2.96Å; V224-L227 VanDerWaalsContact O-N 3.07Å; L227-M229 VanDerWaalsContact C-N 3.28Å; L227-M229 PolarHBondContact O-N 2.74Å; L227-L230 PolarHBondContact O-N 2.83Å; L227-V231 WeakPolarHBondContact O-CB 3.32Å; L227-V231 WeakPolarHBondContact O-CG2 3.37Å; L227-V231 PolarHBondContact O-N 3.24Å; L227-Y235 HydrophobicContact CD2-CD2 4.5Å; L227-Y235 HydrophobicContact CD2-CE2 3.79Å; L227-L266 HydrophobicContact CB-CD1 3.99Å; L227-L266 HydrophobicContact CB-CD2 4.21Å |
| 228 | E | 88.6 | Confident | 90.2 | Very high | 38 Ų | 38 | 33 Ų | 33 | 18% | 0.178 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.7 | -35.9 | 179.5 | -70 | -162.3 | 178.8 | 0 | 0 | 113.5 | G165 V224 S225 L266 | G165-E228 PolarHBondContact N-OE1 2.92Å; V224-E228 PolarHBondContact O-N 3.24Å; S225-E228 PolarHBondContact O-N 2.94Å; E228-L266 HydrophobicContact CG-CD1 3.76Å; E228-L266 HydrophobicContact CG-CD2 4.37Å; E228-L266 HydrophobicContact CG-CG 4.28Å |
| 229 | M | 84.2 | Confident | 90.3 | Very high | 142 Ų | 142 | 34.6 Ų | 34.6 | 70% | 0.7 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -73.3 | -32.6 | 176 | -71.3 | -64.3 | -52.8 | 0 | 0 | 114 | S225 L227 | S225-M229 VanDerWaalsContact O-CG 3.32Å; S225-M229 WeakPolarHBondContact O-CG 3.31Å; S225-M229 PolarHBondContact O-N 3.35Å; L227-M229 VanDerWaalsContact C-N 3.28Å; L227-M229 PolarHBondContact O-N 2.74Å |
| 230 | L | 80.6 | Confident | 90.3 | Very high | 69 Ų | 69 | 34.4 Ų | 34.4 | 36% | 0.361 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -92.5 | -21 | -176.4 | -66.9 | 169.8 | 0 | 0 | 0 | 113 | I197 S226 L227 | I197-L230 HydrophobicContact CD1-CB 3.89Å; I197-L230 HydrophobicContact CD1-CD1 3.56Å; I197-L230 HydrophobicContact CD1-CG 4.33Å; S226-L230 WeakPolarHBondContact O-CB 3.25Å; S226-L230 WeakPolarHBondContact O-CD1 3.27Å; S226-L230 WeakPolarHBondContact O-CG 3.48Å; S226-L230 PolarHBondContact O-N 2.84Å; S226-L230 VanDerWaalsContact O-N 3.11Å; L227-L230 PolarHBondContact O-N 2.83Å |
| 231 | V | 73 | Confident | 90.1 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | trans | -101.1 | 89.2 | -175.9 | -179.9 | 0 | 0 | 0 | 0 | 109.4 | L227 E233 Y235 R265 L266 N269 | L227-V231 WeakPolarHBondContact O-CB 3.32Å; L227-V231 WeakPolarHBondContact O-CG2 3.37Å; L227-V231 PolarHBondContact O-N 3.24Å; V231-E233 VanDerWaalsContact CG1-O 3.25Å; V231-E233 WeakPolarHBondContact CG1-O 3.4Å; V231-Y235 HydrophobicContact CB-CD1 4.12Å; V231-Y235 HydrophobicContact CB-CE1 4.29Å; V231-Y235 HydrophobicContact CB-CG 4.47Å; V231-Y235 HydrophobicContact CG1-CD1 3.38Å; V231-Y235 HydrophobicContact CG1-CE1 3.57Å; V231-Y235 HydrophobicContact CG1-CG 4.14Å; V231-Y235 HydrophobicContact CG2-CD1 3.5Å; V231-Y235 VanDerWaalsContact CG2-CD1 3.5Å; V231-Y235 HydrophobicContact CG2-CD2 3.65Å; V231-Y235 HydrophobicContact CG2-CE1 3.67Å; V231-Y235 HydrophobicContact CG2-CE2 3.8Å; V231-Y235 HydrophobicContact CG2-CG 3.48Å; V231-Y235 VanDerWaalsContact CG2-CG 3.48Å; V231-R265 PolarHBondContact O-NH1 2.81Å; V231-L266 HydrophobicContact CB-CD2 3.71Å; V231-L266 HydrophobicContact CG1-CD2 3.84Å; V231-L266 HydrophobicContact CG2-CD2 4.06Å; V231-N269 HydrophobicContact CG1-CB 3.98Å | ||
| 232 | A | 71.4 | Confident | 89.4 | Confident | 83 Ų | 83 | 32.8 Ų | 32.8 | 69% | 0.686 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -79 | -51.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 233 | E | 80.2 | Confident | 88.7 | Confident | 118 Ų | 118 | 33.2 Ų | 33.2 | 55% | 0.551 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -119.3 | -145.3 | -175.2 | -59 | -172.6 | 171.4 | 0 | 0 | 111 | V231 N269 | V231-E233 VanDerWaalsContact CG1-O 3.25Å; V231-E233 WeakPolarHBondContact CG1-O 3.4Å; E233-N269 VanDerWaalsContact O-CB 3.31Å; E233-N269 WeakPolarHBondContact O-CB 3.26Å; E233-N269 PolarHBondContact O-ND2 2.96Å |
| 234 | D | 91.1 | Very high | 88.5 | Confident | 66 Ų | 66 | 33.1 Ų | 33.1 | 35% | 0.353 | 19% | 0.186 | S | C | . | . | trans | -70.2 | 147.9 | 177.3 | -91 | 4.1 | 0 | 0 | 0 | 112.2 | N194 N269 | N194-D234 WeakPolarHBondContact CA-O 3.43Å; N194-D234 WeakPolarHBondContact CB-O 3.3Å; N194-D234 WeakPolarHBondContact OD1-CB 3.33Å; N194-D234 PolarHBondContact OD1-O 3.35Å; D234-N269 VanDerWaalsContact CA-O 3.27Å; D234-N269 WeakPolarHBondContact CA-O 3.43Å; D234-N269 WeakPolarHBondContact OD1-CA 3.29Å | ||
| 235 | Y | 93.9 | Very high | 88.4 | Confident | 5 Ų | 5 | 35.8 Ų | 35.8 | 2% | 0.02 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 164 | -176.6 | 75.2 | -74 | 0 | 0 | 0 | 113 | A195 I197 L227 V231 I237 L266 N269 L270 K271 | A195-Y235 WeakPolarHBondContact O-CA 3.31Å; A195-Y235 WeakPolarHBondContact O-CB 3.32Å; I197-Y235 HydrophobicContact CG1-CD2 3.94Å; I197-Y235 HydrophobicContact CG1-CE2 4.5Å; L227-Y235 HydrophobicContact CD2-CD2 4.5Å; L227-Y235 HydrophobicContact CD2-CE2 3.79Å; V231-Y235 HydrophobicContact CB-CD1 4.12Å; V231-Y235 HydrophobicContact CB-CE1 4.29Å; V231-Y235 HydrophobicContact CB-CG 4.47Å; V231-Y235 HydrophobicContact CG1-CD1 3.38Å; V231-Y235 HydrophobicContact CG1-CE1 3.57Å; V231-Y235 HydrophobicContact CG1-CG 4.14Å; V231-Y235 HydrophobicContact CG2-CD1 3.5Å; V231-Y235 VanDerWaalsContact CG2-CD1 3.5Å; V231-Y235 HydrophobicContact CG2-CD2 3.65Å; V231-Y235 HydrophobicContact CG2-CE1 3.67Å; V231-Y235 HydrophobicContact CG2-CE2 3.8Å; V231-Y235 HydrophobicContact CG2-CG 3.48Å; V231-Y235 VanDerWaalsContact CG2-CG 3.48Å; Y235-I237 HydrophobicContact CD2-CG1 4.08Å; Y235-I237 HydrophobicContact CE2-CD1 3.78Å; Y235-I237 HydrophobicContact CE2-CG1 3.62Å; Y235-L266 WeakPolarHBondContact CE1-O 3.46Å; Y235-L266 PolarHBondContact OH-O 3.39Å; Y235-N269 HydrophobicContact CD1-CB 4.02Å; Y235-N269 WeakPolarHBondContact CD1-O 3.47Å; Y235-N269 HydrophobicContact CE1-CB 4.04Å; Y235-N269 PolarHBondContact N-O 3.4Å; Y235-L270 HydrophobicContact CD1-CB 4.49Å; Y235-L270 HydrophobicContact CD2-CD1 4.13Å; Y235-L270 VanDerWaalsContact CE1-CA 3.49Å; Y235-L270 HydrophobicContact CE1-CB 3.83Å; Y235-L270 HydrophobicContact CE1-CD1 4.38Å; Y235-L270 VanDerWaalsContact CE1-N 3.29Å; Y235-L270 HydrophobicContact CE2-CD1 3.76Å; Y235-L270 CarbonylContact O-C 3.58Å; Y235-K271 WeakPolarHBondContact O-CB 3.26Å; Y235-K271 PolarHBondContact O-N 3.42Å |
| 236 | L | 94.9 | Very high | 88.2 | Confident | 9 Ų | 9 | 41.7 Ų | 41.7 | 5% | 0.047 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 138.2 | 178.3 | -177.5 | 149.6 | 0 | 0 | 0 | 109.8 | Y189 A195 I196 I197 I238 V274 V314 | Y189-L236 HydrophobicContact CD1-CB 4.18Å; Y189-L236 HydrophobicContact CE1-CB 3.61Å; A195-L236 PolarHBondContact O-N 3.42Å; I196-L236 HydrophobicContact CG2-CD2 4.33Å; I197-L236 PolarHBondContact N-O 2.89Å; L236-I238 HydrophobicContact CD2-CD1 4.41Å; L236-I238 HydrophobicContact CD2-CG1 3.53Å; L236-V274 HydrophobicContact CD1-CG2 4.31Å; L236-V274 HydrophobicContact CD2-CG2 4.37Å; L236-V314 HydrophobicContact CD1-CG1 3.71Å; L236-V314 HydrophobicContact CD2-CG1 3.71Å; L236-V314 HydrophobicContact CG-CG1 4.39Å |
| 237 | I | 96.8 | Very high | 88.3 | Confident | 26 Ų | 26 | 42.7 Ų | 42.7 | 13% | 0.133 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 127.4 | 169.9 | -62.4 | 170.5 | 0 | 0 | 0 | 109.4 | I197 F199 Y235 L270 S272 L273 V274 | I197-I237 HydrophobicContact CB-CG1 4.28Å; I197-I237 CarbonylContact O-C 3.58Å; I197-I237 VanDerWaalsContact O-CA 3.3Å; I197-I237 WeakPolarHBondContact O-CA 3.35Å; F199-I237 HydrophobicContact CB-CG2 4.44Å; Y235-I237 HydrophobicContact CD2-CG1 4.08Å; Y235-I237 HydrophobicContact CE2-CD1 3.78Å; Y235-I237 HydrophobicContact CE2-CG1 3.62Å; I237-L270 HydrophobicContact CB-CD1 4.12Å; I237-L270 HydrophobicContact CD1-CD1 3.74Å; I237-L270 HydrophobicContact CD1-CD2 4.43Å; I237-L270 HydrophobicContact CG1-CD1 3.64Å; I237-S272 PolarHBondContact N-O 3.25Å; I237-L273 HydrophobicContact CB-CD1 3.71Å; I237-L273 HydrophobicContact CG2-CD1 3.5Å; I237-L273 CarbonylContact O-C 3.5Å; I237-L273 WeakPolarHBondContact O-CA 3.32Å; I237-V274 PolarHBondContact O-N 3.37Å |
| 238 | I | 97.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 111.1 | 164.1 | -53.4 | 174.2 | 0 | 0 | 0 | 107.4 | I196 I197 V198 F199 L236 M240 V274 L310 V314 V319 | I196-I238 HydrophobicContact CG2-CD1 3.6Å; I196-I238 HydrophobicContact CG2-CG1 4.01Å; I197-I238 PolarHBondContact O-N 2.87Å; V198-I238 CarbonylContact C-O 3.57Å; V198-I238 WeakPolarHBondContact CA-O 3.41Å; V198-I238 HydrophobicContact CG2-CD1 4.37Å; F199-I238 PolarHBondContact N-O 2.96Å; L236-I238 HydrophobicContact CD2-CD1 4.41Å; L236-I238 HydrophobicContact CD2-CG1 3.53Å; I238-M240 HydrophobicContact CG2-CE 4.05Å; I238-M240 HydrophobicContact CG2-CG 3.95Å; I238-V274 CarbonylContact C-O 3.52Å; I238-V274 WeakPolarHBondContact CA-O 3.19Å; I238-L310 HydrophobicContact CD1-CD1 4.4Å; I238-L310 HydrophobicContact CG1-CD1 4.4Å; I238-L310 HydrophobicContact CG2-CD1 3.98Å; I238-L310 HydrophobicContact CG2-CD2 3.89Å; I238-V314 HydrophobicContact CD1-CB 4.39Å; I238-V314 HydrophobicContact CD1-CG1 4.42Å; I238-V314 HydrophobicContact CD1-CG2 3.8Å; I238-V319 HydrophobicContact CD1-CG1 4.04Å; I238-V319 HydrophobicContact CD1-CG2 3.96Å |
| 239 | Y | 97.3 | Very high | 88.4 | Confident | 40 Ų | 40 | 43.4 Ų | 43.4 | 16% | 0.157 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 103.8 | 172.1 | -174.7 | -82 | 0 | 0 | 0 | 109.3 | F199 A201 N241 M249 V274 I275 A276 I282 | F199-Y239 HydrophobicContact CB-CD2 4.2Å; F199-Y239 AromaticContact CD1-CD2 3.39Å; F199-Y239 HydrophobicContact CD1-CD2 3.39Å; F199-Y239 AromaticContact CD1-CE2 3.31Å; F199-Y239 HydrophobicContact CD1-CE2 3.31Å; F199-Y239 HydrophobicContact CD1-CG 4.37Å; F199-Y239 HydrophobicContact CE1-CD2 4.02Å; F199-Y239 AromaticContact CE1-CE2 3.44Å; F199-Y239 HydrophobicContact CE1-CE2 3.44Å; F199-Y239 VanDerWaalsContact CE1-CE2 3.44Å; F199-Y239 HydrophobicContact CG-CD2 4.01Å; F199-Y239 HydrophobicContact CG-CE2 4.28Å; F199-Y239 HydrophobicContact CZ-CE2 4.48Å; A201-Y239 HydrophobicContact CB-CE1 4.06Å; A201-Y239 HydrophobicContact CB-CE2 4.48Å; Y239-N241 HydrophobicContact CD1-CB 4.03Å; Y239-N241 HydrophobicContact CE1-CB 3.76Å; Y239-M249 WeakPolarHBondContact OH-CE 3.15Å; Y239-M249 PolarHBondContact OH-SD 3.11Å; Y239-V274 PolarHBondContact N-O 3.15Å; Y239-I275 HydrophobicContact CD1-CG2 4.08Å; Y239-I275 WeakPolarHBondContact O-CA 3.31Å; Y239-A276 PolarHBondContact O-N 2.67Å; Y239-I282 HydrophobicContact CD1-CD1 4.35Å; Y239-I282 HydrophobicContact CE1-CD1 3.44Å; Y239-I282 VanDerWaalsContact CE1-CD1 3.44Å |
| 240 | M | 96.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 111 | 176.8 | -63.9 | -176 | 179.4 | 0 | 0 | 110.1 | V198 F199 A201 I238 L310 V319 V321 P322 V325 | V198-M240 HydrophobicContact CG1-CE 3.68Å; V198-M240 HydrophobicContact CG1-CG 4.16Å; V198-M240 HydrophobicContact CG1-SD 3.79Å; F199-M240 PolarHBondContact O-N 2.81Å; A201-M240 VanDerWaalsContact CB-O 3.32Å; A201-M240 WeakPolarHBondContact CB-O 3.36Å; A201-M240 PolarHBondContact N-O 2.97Å; I238-M240 HydrophobicContact CG2-CE 4.05Å; I238-M240 HydrophobicContact CG2-CG 3.95Å; M240-L310 HydrophobicContact CE-CD2 4.37Å; M240-V319 HydrophobicContact CE-CG1 3.43Å; M240-V319 VanDerWaalsContact CE-CG1 3.43Å; M240-V321 HydrophobicContact CE-CB 4.46Å; M240-V321 HydrophobicContact CE-CG2 3.88Å; M240-V321 HydrophobicContact SD-CG1 4.33Å; M240-P322 WeakPolarHBondContact SD-CD 3.17Å; M240-P322 HydrophobicContact SD-CG 4.42Å; M240-V325 HydrophobicContact CB-CG2 4.48Å |
| 241 | N | 91.7 | Very high | 88.9 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.011 | 20% | 0.203 | C | C | . | . | trans | -102.5 | -11.9 | -178.4 | -175 | 68.9 | 0 | 0 | 0 | 114.1 | Y239 T244 A276 H277 T279 I282 | Y239-N241 HydrophobicContact CD1-CB 4.03Å; Y239-N241 HydrophobicContact CE1-CB 3.76Å; N241-T244 VanDerWaalsContact O-CB 3.29Å; N241-T244 WeakPolarHBondContact O-CB 3.33Å; N241-T244 PolarHBondContact O-N 3.26Å; N241-T244 PolarHBondContact O-OG1 3.19Å; N241-A276 WeakPolarHBondContact CB-O 3.49Å; N241-A276 PolarHBondContact N-O 2.78Å; N241-H277 WeakPolarHBondContact CB-O 3.36Å; N241-H277 PolarHBondContact ND2-O 2.93Å; N241-T279 WeakPolarHBondContact ND2-CG2 3.06Å; N241-T279 PolarHBondContact ND2-N 3.06Å; N241-T279 PolarHBondContact ND2-OG1 2.89Å; N241-I282 HydrophobicContact CB-CD1 4.17Å; N241-I282 WeakPolarHBondContact OD1-CD1 3.14Å | ||
| 242 | G | 81.2 | Confident | 89.5 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | 141 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T244 V325 | G242-T244 PolarHBondContact O-N 2.88Å; G242-T244 PolarHBondContact O-OG1 3.36Å; G242-V325 WeakPolarHBondContact O-CG2 3.16Å |
| 243 | A | 81.4 | Confident | 90.3 | Very high | 47 Ų | 47 | 39.7 Ų | 39.7 | 39% | 0.388 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 9.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | P245 C324 | A243-P245 VanDerWaalsContact O-CD 3.27Å; A243-P245 WeakPolarHBondContact O-CD 3.15Å; A243-C324 HydrophobicContact CB-CB 3.91Å; A243-C324 VanDerWaalsContact CB-O 3.24Å; A243-C324 WeakPolarHBondContact CB-O 3.42Å |
| 244 | T | 89.8 | Confident | 90.7 | Very high | 13 Ų | 13 | 36.6 Ų | 36.6 | 8% | 0.08 | 21% | 0.205 | C | C | . | . | trans | -82.6 | 116.9 | -175 | -51.8 | 0 | 0 | 0 | 0 | 111.8 | A201 C202 N241 G242 K248 M249 | A201-T244 HydrophobicContact CB-CG2 4.03Å; A201-T244 WeakPolarHBondContact O-CG2 3.41Å; C202-T244 WeakPolarHBondContact CA-OG1 3.36Å; C202-T244 PolarHBondContact N-OG1 3.13Å; C202-T244 VanDerWaalsContact N-OG1 3.1Å; N241-T244 VanDerWaalsContact O-CB 3.29Å; N241-T244 WeakPolarHBondContact O-CB 3.33Å; N241-T244 PolarHBondContact O-N 3.26Å; N241-T244 PolarHBondContact O-OG1 3.19Å; G242-T244 PolarHBondContact O-N 2.88Å; G242-T244 PolarHBondContact O-OG1 3.36Å; T244-K248 HydrophobicContact CG2-CB 3.98Å; T244-M249 HydrophobicContact CG2-CE 3.59Å | ||
| 245 | P | 90.7 | Very high | 90.6 | Very high | 59 Ų | 59 | 36.6 Ų | 36.6 | 38% | 0.383 | 20% | 0.204 | S | C | . | . | trans | -70.2 | 153.7 | 179 | 30.3 | -36.9 | 0 | 0 | 0 | 111.7 | A243 S247 K248 | A243-P245 VanDerWaalsContact O-CD 3.27Å; A243-P245 WeakPolarHBondContact O-CD 3.15Å; P245-S247 PolarHBondContact O-N 3.02Å; P245-K248 HydrophobicContact CG-CB 4.41Å; P245-K248 HydrophobicContact CG-CD 3.96Å; P245-K248 HydrophobicContact CG-CG 4.03Å; P245-K248 PolarHBondContact O-N 3.13Å; P245-K248 VanDerWaalsContact O-N 3.08Å | ||
| 246 | R | 89.9 | Confident | 90.3 | Very high | 129 Ų | 129 | 40.8 Ų | 40.8 | 49% | 0.487 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -60.6 | -29.1 | -179.3 | 176.4 | 58.7 | -170.3 | 87.7 | -3.6 | 113 | K248 M249 F281 | R246-K248 PolarHBondContact O-N 2.99Å; R246-M249 PolarHBondContact NH1-O 3.23Å; R246-M249 WeakPolarHBondContact O-CB 3.42Å; R246-M249 PolarHBondContact O-N 3.02Å; R246-M249 VanDerWaalsContact O-N 3.09Å; R246-F281 VanDerWaalsContact CZ-CZ 3.47Å |
| 247 | S | 92.6 | Very high | 90 | Very high | 37 Ų | 37 | 46.5 Ų | 46.5 | 26% | 0.259 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -60 | -28.8 | 175.6 | 52.6 | 0 | 0 | 0 | 0 | 113.4 | D206 S207 P245 M249 | D206-S247 WeakPolarHBondContact OD2-CB 3.27Å; D206-S247 PolarHBondContact OD2-OG 3.09Å; S207-S247 WeakPolarHBondContact CB-O 3.27Å; S207-S247 PolarHBondContact N-O 3.32Å; S207-S247 PolarHBondContact OG-O 3.14Å; S207-S247 VanDerWaalsContact OG-O 3.06Å; P245-S247 PolarHBondContact O-N 3.02Å; S247-M249 VanDerWaalsContact C-N 3.32Å |
| 248 | K | 91.8 | Very high | 89.6 | Confident | 53 Ų | 53 | 45.7 Ų | 45.7 | 23% | 0.23 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -83.1 | -4.8 | 176.6 | -71.9 | -176.2 | 166.3 | -175.6 | 0 | 114.4 | C202 L204 P205 D206 T244 P245 R246 | C202-K248 PolarHBondContact O-NZ 2.93Å; L204-K248 HydrophobicContact CB-CB 4.16Å; L204-K248 WeakPolarHBondContact CD1-O 3.25Å; L204-K248 VanDerWaalsContact O-CD 3.24Å; L204-K248 WeakPolarHBondContact O-CD 3.31Å; L204-K248 WeakPolarHBondContact O-CE 3.47Å; P205-K248 WeakPolarHBondContact O-CA 3.24Å; D206-K248 HydrophobicContact CB-CG 4.23Å; T244-K248 HydrophobicContact CG2-CB 3.98Å; P245-K248 HydrophobicContact CG-CB 4.41Å; P245-K248 HydrophobicContact CG-CD 3.96Å; P245-K248 HydrophobicContact CG-CG 4.03Å; P245-K248 PolarHBondContact O-N 3.13Å; P245-K248 VanDerWaalsContact O-N 3.08Å; R246-K248 PolarHBondContact O-N 2.99Å |
| 249 | M | 90.6 | Very high | 89.2 | Confident | 11 Ų | 11 | 47.5 Ų | 47.5 | 5% | 0.054 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -91.9 | 124.5 | -175.8 | -73.9 | -69.8 | 106.3 | 0 | 0 | 112.5 | A201 L204 Y239 T244 R246 S247 F281 I282 | A201-M249 HydrophobicContact CB-CE 3.8Å; L204-M249 HydrophobicContact CD1-CE 3.65Å; Y239-M249 WeakPolarHBondContact OH-CE 3.15Å; Y239-M249 PolarHBondContact OH-SD 3.11Å; T244-M249 HydrophobicContact CG2-CE 3.59Å; R246-M249 PolarHBondContact NH1-O 3.23Å; R246-M249 WeakPolarHBondContact O-CB 3.42Å; R246-M249 PolarHBondContact O-N 3.02Å; R246-M249 VanDerWaalsContact O-N 3.09Å; S247-M249 VanDerWaalsContact C-N 3.32Å; M249-F281 HydrophobicContact CB-CD1 4.1Å; M249-F281 HydrophobicContact CB-CE1 3.69Å; M249-F281 HydrophobicContact CG-CD1 4.06Å; M249-F281 HydrophobicContact CG-CE1 4.12Å; M249-I282 HydrophobicContact SD-CD1 4.31Å; M249-I282 HydrophobicContact SD-CG1 4.49Å |
| 250 | P | 87.9 | Confident | 88.8 | Confident | 9 Ų | 9 | 51.3 Ų | 51.3 | 6% | 0.058 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -63 | 154.4 | 173.9 | 24.5 | -32.2 | 0 | 0 | 0 | 112.5 | M216 W254 L255 | M216-P250 HydrophobicContact CE-CB 3.76Å; M216-P250 HydrophobicContact CE-CG 3.88Å; P250-W254 HydrophobicContact CB-CB 4.21Å; P250-W254 HydrophobicContact CB-CD2 3.67Å; P250-W254 HydrophobicContact CB-CE3 3.3Å; P250-W254 HydrophobicContact CB-CG 4.09Å; P250-W254 HydrophobicContact CB-CZ3 3.88Å; P250-W254 HydrophobicContact CG-CD2 4.35Å; P250-W254 HydrophobicContact CG-CE3 3.53Å; P250-W254 HydrophobicContact CG-CH2 4.48Å; P250-W254 HydrophobicContact CG-CZ3 3.61Å; P250-L255 HydrophobicContact CG-CD2 4.05Å; P250-L255 HydrophobicContact CG-CG 4.24Å |
| 251 | G | 87.4 | Confident | 88.5 | Confident | 34 Ų | 34 | 55.4 Ų | 55.4 | 35% | 0.351 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 162.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S253 W254 L255 | G251-S253 VanDerWaalsContact C-N 3.31Å; G251-S253 PolarHBondContact O-N 2.9Å; G251-W254 WeakPolarHBondContact O-CB 3.37Å; G251-W254 PolarHBondContact O-N 2.9Å; G251-L255 PolarHBondContact O-N 2.95Å |
| 252 | I | 85.9 | Confident | 88.4 | Confident | 79 Ų | 79 | 56.9 Ų | 56.9 | 41% | 0.405 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.7 | -41.8 | -178.7 | -60.3 | 145.7 | 0 | 0 | 0 | 111.7 | W254 L255 K256 V285 I288 | I252-W254 VanDerWaalsContact C-N 3.27Å; I252-W254 PolarHBondContact O-N 2.77Å; I252-L255 PolarHBondContact O-N 2.71Å; I252-K256 PolarHBondContact O-N 3.44Å; I252-V285 HydrophobicContact CG1-CG1 4.28Å; I252-V285 HydrophobicContact CG1-CG2 3.93Å; I252-I288 HydrophobicContact CD1-CD1 3.51Å; I252-I288 HydrophobicContact CG1-CD1 4.06Å |
| 253 | S | 87.3 | Confident | 88.8 | Confident | 96 Ų | 96 | 59.3 Ų | 59.3 | 67% | 0.671 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.3 | -35.3 | 178 | -49.4 | 0 | 0 | 0 | 0 | 112.6 | G251 K257 | G251-S253 VanDerWaalsContact C-N 3.31Å; G251-S253 PolarHBondContact O-N 2.9Å; S253-K257 WeakPolarHBondContact O-CG 3.37Å; S253-K257 PolarHBondContact O-N 2.82Å; S253-K257 VanDerWaalsContact O-N 3.13Å |
| 254 | W | 89.5 | Confident | 89.2 | Confident | 52 Ų | 52 | 65.3 Ų | 65.3 | 20% | 0.197 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -72.1 | -45.2 | 175.8 | -173.3 | 95.6 | 0 | 0 | 0 | 110.9 | M216 F220 P250 G251 I252 K256 K257 C258 | M216-W254 HydrophobicContact CB-CZ2 4.15Å; M216-W254 HydrophobicContact CE-CH2 3.74Å; M216-W254 HydrophobicContact CE-CZ2 3.68Å; M216-W254 HydrophobicContact CE-CZ3 4.2Å; F220-W254 HydrophobicContact CB-CH2 3.94Å; F220-W254 HydrophobicContact CB-CZ2 3.62Å; F220-W254 HydrophobicContact CD2-CH2 4.12Å; F220-W254 HydrophobicContact CD2-CZ2 4.48Å; F220-W254 HydrophobicContact CG-CH2 4.28Å; F220-W254 HydrophobicContact CG-CZ2 4.18Å; P250-W254 HydrophobicContact CB-CB 4.21Å; P250-W254 HydrophobicContact CB-CD2 3.67Å; P250-W254 HydrophobicContact CB-CE3 3.3Å; P250-W254 HydrophobicContact CB-CG 4.09Å; P250-W254 HydrophobicContact CB-CZ3 3.88Å; P250-W254 HydrophobicContact CG-CD2 4.35Å; P250-W254 HydrophobicContact CG-CE3 3.53Å; P250-W254 HydrophobicContact CG-CH2 4.48Å; P250-W254 HydrophobicContact CG-CZ3 3.61Å; G251-W254 WeakPolarHBondContact O-CB 3.37Å; G251-W254 PolarHBondContact O-N 2.9Å; I252-W254 VanDerWaalsContact C-N 3.27Å; I252-W254 PolarHBondContact O-N 2.77Å; W254-K256 VanDerWaalsContact C-N 3.29Å; W254-K256 PolarHBondContact O-N 2.81Å; W254-K257 PolarHBondContact O-N 2.77Å; W254-C258 VanDerWaalsContact CD2-SG 3.51Å; W254-C258 HydrophobicContact CE3-CB 4.44Å; W254-C258 VanDerWaalsContact CH2-SG 3.52Å; W254-C258 HydrophobicContact CZ3-CB 4.35Å; W254-C258 WeakPolarHBondContact CZ3-SG 3.24Å; W254-C258 WeakPolarHBondContact O-CB 3.16Å; W254-C258 PolarHBondContact O-N 2.85Å; W254-C258 PolarHBondContact O-SG 2.86Å |
| 255 | L | 88.5 | Confident | 89.2 | Confident | 67 Ų | 67 | 69 Ų | 69 | 35% | 0.351 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.2 | -37.2 | 175.3 | -70.4 | 168.1 | 0 | 0 | 0 | 112.5 | P250 G251 I252 C258 Y259 V285 | P250-L255 HydrophobicContact CG-CD2 4.05Å; P250-L255 HydrophobicContact CG-CG 4.24Å; G251-L255 PolarHBondContact O-N 2.95Å; I252-L255 PolarHBondContact O-N 2.71Å; L255-C258 PolarHBondContact O-N 2.87Å; L255-Y259 PolarHBondContact O-N 3Å; L255-V285 HydrophobicContact CD1-CG1 3.69Å |
| 256 | K | 87.5 | Confident | 89.3 | Confident | 93 Ų | 93 | 66.2 Ų | 66.2 | 40% | 0.404 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.2 | -51.3 | 172.6 | -177.2 | -179 | 175.7 | -179.1 | 0 | 111.5 | I252 W254 C258 Y259 Q260 | I252-K256 PolarHBondContact O-N 3.44Å; W254-K256 VanDerWaalsContact C-N 3.29Å; W254-K256 PolarHBondContact O-N 2.81Å; K256-C258 VanDerWaalsContact C-N 3.29Å; K256-C258 PolarHBondContact O-N 3.07Å; K256-Y259 PolarHBondContact O-N 2.87Å; K256-Q260 WeakPolarHBondContact O-CG 3.39Å; K256-Q260 PolarHBondContact O-N 2.8Å; K256-Q260 VanDerWaalsContact O-N 3.08Å |
| 257 | K | 87.9 | Confident | 89.4 | Confident | 129 Ų | 129 | 63 Ų | 63 | 56% | 0.561 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -55.4 | -45.2 | 175.3 | -74.6 | -180 | 176.6 | -170.8 | 0 | 111 | S253 W254 Y259 Q260 M261 | S253-K257 WeakPolarHBondContact O-CG 3.37Å; S253-K257 PolarHBondContact O-N 2.82Å; S253-K257 VanDerWaalsContact O-N 3.13Å; W254-K257 PolarHBondContact O-N 2.77Å; K257-Y259 PolarHBondContact O-N 3.07Å; K257-Q260 WeakPolarHBondContact O-CB 3.29Å; K257-Q260 PolarHBondContact O-N 2.81Å; K257-Q260 VanDerWaalsContact O-N 3.13Å; K257-M261 WeakPolarHBondContact O-CG 3.45Å; K257-M261 PolarHBondContact O-N 2.79Å |
| 258 | C | 88.9 | Confident | 89.3 | Confident | 9 Ų | 9 | 67.3 Ų | 67.3 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 178.2 | -67.9 | 0 | 0 | 0 | 0 | 112.7 | F220 W254 L255 K256 Q260 M261 I262 | F220-C258 HydrophobicContact CD2-CB 3.94Å; F220-C258 WeakPolarHBondContact CD2-SG 3.19Å; F220-C258 HydrophobicContact CE1-CB 4.34Å; F220-C258 HydrophobicContact CE2-CB 3.38Å; F220-C258 VanDerWaalsContact CE2-SG 3.54Å; F220-C258 VanDerWaalsContact CZ-CA 3.44Å; F220-C258 HydrophobicContact CZ-CB 3.62Å; F220-C258 WeakPolarHBondContact CZ-O 3.43Å; W254-C258 VanDerWaalsContact CD2-SG 3.51Å; W254-C258 HydrophobicContact CE3-CB 4.44Å; W254-C258 VanDerWaalsContact CH2-SG 3.52Å; W254-C258 HydrophobicContact CZ3-CB 4.35Å; W254-C258 WeakPolarHBondContact CZ3-SG 3.24Å; W254-C258 WeakPolarHBondContact O-CB 3.16Å; W254-C258 PolarHBondContact O-N 2.85Å; W254-C258 PolarHBondContact O-SG 2.86Å; L255-C258 PolarHBondContact O-N 2.87Å; K256-C258 VanDerWaalsContact C-N 3.29Å; K256-C258 PolarHBondContact O-N 3.07Å; C258-Q260 PolarHBondContact O-N 3.3Å; C258-M261 PolarHBondContact O-N 3.19Å; C258-I262 VanDerWaalsContact O-CG1 3.28Å; C258-I262 WeakPolarHBondContact O-CG1 3.17Å; C258-I262 PolarHBondContact O-N 3.11Å |
| 259 | Y | 89.4 | Confident | 89.3 | Confident | 37 Ų | 37 | 66.2 Ų | 66.2 | 15% | 0.145 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.9 | -26.5 | 176.1 | 176.6 | -97.1 | 0 | 0 | 0 | 113.4 | L255 K256 K257 R267 I293 S294 F297 | L255-Y259 PolarHBondContact O-N 3Å; K256-Y259 PolarHBondContact O-N 2.87Å; K257-Y259 PolarHBondContact O-N 3.07Å; Y259-R267 HydrophobicContact CE2-CG 4.35Å; Y259-R267 PolarHBondContact O-NH1 3.07Å; Y259-I293 HydrophobicContact CD1-CG1 4.37Å; Y259-I293 HydrophobicContact CE1-CG1 4.43Å; Y259-I293 HydrophobicContact CE2-CG2 3.97Å; Y259-I293 HydrophobicContact CG-CG1 4.42Å; Y259-S294 PolarHBondContact OH-N 3.1Å; Y259-S294 PolarHBondContact OH-OG 2.72Å; Y259-F297 HydrophobicContact CE2-CB 4.49Å; Y259-F297 HydrophobicContact CE2-CD1 4.27Å; Y259-F297 HydrophobicContact CE2-CD2 4.08Å; Y259-F297 HydrophobicContact CE2-CE2 4.36Å; Y259-F297 HydrophobicContact CE2-CG 4.02Å |
| 260 | Q | 89.1 | Confident | 89.5 | Confident | 121 Ų | 121 | 65.9 Ų | 65.9 | 57% | 0.565 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -77.8 | -39 | 174.1 | -69.2 | 174.6 | -57.8 | 0 | 0 | 112.3 | K256 K257 C258 | K256-Q260 WeakPolarHBondContact O-CG 3.39Å; K256-Q260 PolarHBondContact O-N 2.8Å; K256-Q260 VanDerWaalsContact O-N 3.08Å; K257-Q260 WeakPolarHBondContact O-CB 3.29Å; K257-Q260 PolarHBondContact O-N 2.81Å; K257-Q260 VanDerWaalsContact O-N 3.13Å; C258-Q260 PolarHBondContact O-N 3.3Å |
| 261 | M | 88.6 | Confident | 89.8 | Confident | 85 Ų | 85 | 70.9 Ų | 70.9 | 42% | 0.419 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -74.8 | -26.9 | 178.4 | -71.2 | 178.9 | 72.3 | 0 | 0 | 114.3 | F220 L221 K257 C258 D263 | F220-M261 HydrophobicContact CD1-CE 4.46Å; F220-M261 HydrophobicContact CD1-SD 4.36Å; F220-M261 HydrophobicContact CE1-CB 3.71Å; F220-M261 HydrophobicContact CE1-CE 3.98Å; F220-M261 HydrophobicContact CE1-CG 4.33Å; F220-M261 HydrophobicContact CE1-SD 3.75Å; F220-M261 HydrophobicContact CZ-CB 3.92Å; L221-M261 HydrophobicContact CD2-CE 3.98Å; K257-M261 WeakPolarHBondContact O-CG 3.45Å; K257-M261 PolarHBondContact O-N 2.79Å; C258-M261 PolarHBondContact O-N 3.19Å; M261-D263 PolarHBondContact O-N 3.05Å |
| 262 | I | 89.9 | Confident | 90.2 | Very high | 34 Ų | 34 | 69.4 Ų | 69.4 | 17% | 0.174 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -64.9 | 126.4 | 175 | -66.6 | 162 | 0 | 0 | 0 | 109.2 | F220 V224 C258 L266 R267 | F220-I262 HydrophobicContact CE2-CD1 4.41Å; F220-I262 HydrophobicContact CE2-CG1 4.2Å; F220-I262 HydrophobicContact CZ-CG1 4.09Å; V224-I262 HydrophobicContact CG2-CG1 3.97Å; C258-I262 VanDerWaalsContact O-CG1 3.28Å; C258-I262 WeakPolarHBondContact O-CG1 3.17Å; C258-I262 PolarHBondContact O-N 3.11Å; I262-L266 HydrophobicContact CG2-CB 3.7Å; I262-L266 HydrophobicContact CG2-CD1 3.93Å; I262-L266 HydrophobicContact CG2-CG 4.46Å; I262-R267 HydrophobicContact CB-CG 4.43Å; I262-R267 HydrophobicContact CG2-CG 3.81Å; I262-R267 PolarHBondContact O-NE 3.02Å; I262-R267 PolarHBondContact O-NH2 2.92Å |
| 263 | D | 90.3 | Very high | 90.7 | Very high | 51 Ų | 51 | 66.7 Ų | 66.7 | 27% | 0.273 | 31% | 0.305 | S | S | . | . | trans | -57.2 | 154.6 | -178.2 | -178.6 | -106.4 | 0 | 0 | 0 | 113.6 | M261 R265 L266 R267 | M261-D263 PolarHBondContact O-N 3.05Å; D263-R265 VanDerWaalsContact C-N 3.27Å; D263-R265 PolarHBondContact O-N 3.14Å; D263-R265 WeakPolarHBondContact OD1-CA 3.49Å; D263-R265 WeakPolarHBondContact OD1-CB 3.49Å; D263-R265 PolarHBondContact OD1-N 2.74Å; D263-L266 PolarHBondContact O-N 3.02Å; D263-R267 PolarHBondContact O-N 2.77Å; D263-R267 PolarHBondContact O-NE 2.87Å | ||
| 264 | R | 89.4 | Confident | 91.2 | Very high | 173 Ų | 173 | 62.1 Ų | 62.1 | 65% | 0.653 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -61.5 | -33.5 | 178.2 | -169.4 | 179.4 | -176.4 | -163.4 | 3 | 112.2 | K268 | R264-K268 HydrophobicContact CG-CD 4.5Å; R264-K268 WeakPolarHBondContact O-CB 3.33Å; R264-K268 VanDerWaalsContact O-CG 3.31Å; R264-K268 WeakPolarHBondContact O-CG 3.37Å; R264-K268 PolarHBondContact O-N 3.32Å; R264-K268 VanDerWaalsContact O-N 3.08Å |
| 265 | R | 90.4 | Very high | 91.6 | Very high | 92 Ų | 92 | 59.9 Ų | 59.9 | 35% | 0.347 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.9 | -54.1 | 176.2 | -172.2 | 175.5 | 66.3 | 91.2 | -1.3 | 110.8 | V231 D263 R267 K268 N269 | V231-R265 PolarHBondContact O-NH1 2.81Å; D263-R265 VanDerWaalsContact C-N 3.27Å; D263-R265 PolarHBondContact O-N 3.14Å; D263-R265 WeakPolarHBondContact OD1-CA 3.49Å; D263-R265 WeakPolarHBondContact OD1-CB 3.49Å; D263-R265 PolarHBondContact OD1-N 2.74Å; R265-R267 VanDerWaalsContact C-N 3.33Å; R265-R267 PolarHBondContact O-N 3.11Å; R265-K268 WeakPolarHBondContact O-CB 3.15Å; R265-K268 PolarHBondContact O-N 3.05Å; R265-N269 PolarHBondContact O-N 3.26Å; R265-N269 PolarHBondContact O-OD1 3.1Å |
| 266 | L | 91.5 | Very high | 92 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.5 | -47.8 | 177 | -66.2 | -177.4 | 0 | 0 | 0 | 111.8 | V224 L227 E228 V231 Y235 I262 D263 K268 N269 L270 | V224-L266 HydrophobicContact CG1-CD1 4.18Å; L227-L266 HydrophobicContact CB-CD1 3.99Å; L227-L266 HydrophobicContact CB-CD2 4.21Å; E228-L266 HydrophobicContact CG-CD1 3.76Å; E228-L266 HydrophobicContact CG-CD2 4.37Å; E228-L266 HydrophobicContact CG-CG 4.28Å; V231-L266 HydrophobicContact CB-CD2 3.71Å; V231-L266 HydrophobicContact CG1-CD2 3.84Å; V231-L266 HydrophobicContact CG2-CD2 4.06Å; Y235-L266 WeakPolarHBondContact CE1-O 3.46Å; Y235-L266 PolarHBondContact OH-O 3.39Å; I262-L266 HydrophobicContact CG2-CB 3.7Å; I262-L266 HydrophobicContact CG2-CD1 3.93Å; I262-L266 HydrophobicContact CG2-CG 4.46Å; D263-L266 PolarHBondContact O-N 3.02Å; L266-K268 VanDerWaalsContact C-N 3.28Å; L266-K268 PolarHBondContact O-N 2.86Å; L266-N269 PolarHBondContact O-N 3.25Å; L266-L270 PolarHBondContact O-N 3.26Å; L266-L270 VanDerWaalsContact O-N 3.1Å |
| 267 | R | 92.3 | Very high | 92.3 | Very high | 62 Ų | 62 | 52.4 Ų | 52.4 | 23% | 0.234 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64 | -28.8 | 177.9 | -73.7 | 176.5 | -70.2 | 176.5 | -1.3 | 113.8 | Y259 I262 D263 R265 F297 K300 | Y259-R267 HydrophobicContact CE2-CG 4.35Å; Y259-R267 PolarHBondContact O-NH1 3.07Å; I262-R267 HydrophobicContact CB-CG 4.43Å; I262-R267 HydrophobicContact CG2-CG 3.81Å; I262-R267 PolarHBondContact O-NE 3.02Å; I262-R267 PolarHBondContact O-NH2 2.92Å; D263-R267 PolarHBondContact O-N 2.77Å; D263-R267 PolarHBondContact O-NE 2.87Å; R265-R267 VanDerWaalsContact C-N 3.33Å; R265-R267 PolarHBondContact O-N 3.11Å; R267-F297 HydrophobicContact CG-CD2 4.47Å; R267-F297 HydrophobicContact CG-CE2 4.41Å; R267-K300 PolarHBondContact O-NZ 3.28Å |
| 268 | K | 91.3 | Very high | 92.6 | Very high | 126 Ų | 126 | 47 Ų | 47 | 55% | 0.548 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -74.6 | -53.6 | 174.6 | -79.6 | 175.3 | 174.2 | -175 | 0 | 111.4 | R264 R265 L266 L270 K300 | R264-K268 HydrophobicContact CG-CD 4.5Å; R264-K268 WeakPolarHBondContact O-CB 3.33Å; R264-K268 VanDerWaalsContact O-CG 3.31Å; R264-K268 WeakPolarHBondContact O-CG 3.37Å; R264-K268 PolarHBondContact O-N 3.32Å; R264-K268 VanDerWaalsContact O-N 3.08Å; R265-K268 WeakPolarHBondContact O-CB 3.15Å; R265-K268 PolarHBondContact O-N 3.05Å; L266-K268 VanDerWaalsContact C-N 3.28Å; L266-K268 PolarHBondContact O-N 2.86Å; K268-L270 VanDerWaalsContact C-N 3.27Å; K268-L270 PolarHBondContact O-N 3.5Å; K268-K300 PolarHBondContact O-NZ 3.46Å |
| 269 | N | 92.1 | Very high | 92.7 | Very high | 31 Ų | 31 | 48.8 Ų | 48.8 | 17% | 0.166 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.2 | -17.1 | -174.5 | -69.8 | 31.9 | 0 | 0 | 0 | 114.4 | V231 E233 D234 Y235 R265 L266 K271 | V231-N269 HydrophobicContact CG1-CB 3.98Å; E233-N269 VanDerWaalsContact O-CB 3.31Å; E233-N269 WeakPolarHBondContact O-CB 3.26Å; E233-N269 PolarHBondContact O-ND2 2.96Å; D234-N269 VanDerWaalsContact CA-O 3.27Å; D234-N269 WeakPolarHBondContact CA-O 3.43Å; D234-N269 WeakPolarHBondContact OD1-CA 3.29Å; Y235-N269 HydrophobicContact CD1-CB 4.02Å; Y235-N269 WeakPolarHBondContact CD1-O 3.47Å; Y235-N269 HydrophobicContact CE1-CB 4.04Å; Y235-N269 PolarHBondContact N-O 3.4Å; R265-N269 PolarHBondContact O-N 3.26Å; R265-N269 PolarHBondContact O-OD1 3.1Å; L266-N269 PolarHBondContact O-N 3.25Å; N269-K271 PolarHBondContact O-N 3.5Å |
| 270 | L | 94.6 | Very high | 92.8 | Very high | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 112.1 | 172.9 | 179.7 | 65.2 | 0 | 0 | 0 | 109.9 | Y235 I237 L266 K268 S272 L273 F297 K300 | Y235-L270 HydrophobicContact CD1-CB 4.49Å; Y235-L270 HydrophobicContact CD2-CD1 4.13Å; Y235-L270 VanDerWaalsContact CE1-CA 3.49Å; Y235-L270 HydrophobicContact CE1-CB 3.83Å; Y235-L270 HydrophobicContact CE1-CD1 4.38Å; Y235-L270 VanDerWaalsContact CE1-N 3.29Å; Y235-L270 HydrophobicContact CE2-CD1 3.76Å; Y235-L270 CarbonylContact O-C 3.58Å; I237-L270 HydrophobicContact CB-CD1 4.12Å; I237-L270 HydrophobicContact CD1-CD1 3.74Å; I237-L270 HydrophobicContact CD1-CD2 4.43Å; I237-L270 HydrophobicContact CG1-CD1 3.64Å; L266-L270 PolarHBondContact O-N 3.26Å; L266-L270 VanDerWaalsContact O-N 3.1Å; K268-L270 VanDerWaalsContact C-N 3.27Å; K268-L270 PolarHBondContact O-N 3.5Å; L270-S272 WeakPolarHBondContact CD1-O 3.45Å; L270-L273 HydrophobicContact CD2-CB 4.3Å; L270-F297 HydrophobicContact CD2-CD2 4.32Å; L270-F297 HydrophobicContact CD2-CE2 3.51Å; L270-F297 HydrophobicContact CD2-CZ 3.9Å; L270-K300 HydrophobicContact CB-CD 4.49Å; L270-K300 HydrophobicContact CG-CD 4.46Å; L270-K300 WeakPolarHBondContact O-CD 3.48Å; L270-K300 WeakPolarHBondContact O-CE 3.26Å; L270-K300 PolarHBondContact O-NZ 3.21Å |
| 271 | K | 94 | Very high | 92.9 | Very high | 115 Ų | 115 | 52.8 Ų | 52.8 | 50% | 0.5 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | -42.4 | 179.3 | -167.6 | 175.5 | -168.3 | 161.4 | 0 | 112.2 | Y189 Y235 N269 | Y189-K271 HydrophobicContact CE2-CD 3.89Å; Y189-K271 WeakPolarHBondContact OH-CB 3.31Å; Y189-K271 WeakPolarHBondContact OH-CD 3.23Å; Y235-K271 WeakPolarHBondContact O-CB 3.26Å; Y235-K271 PolarHBondContact O-N 3.42Å; N269-K271 PolarHBondContact O-N 3.5Å |
| 272 | S | 95.3 | Very high | 93 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.014 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 146.7 | 175.6 | -141.3 | 0 | 0 | 0 | 0 | 111.3 | I237 L270 K300 R302 | I237-S272 PolarHBondContact N-O 3.25Å; L270-S272 WeakPolarHBondContact CD1-O 3.45Å; S272-K300 WeakPolarHBondContact CA-O 3.39Å; S272-K300 PolarHBondContact OG-O 2.82Å; S272-K300 VanDerWaalsContact OG-O 3.07Å; S272-R302 PolarHBondContact OG-NE 2.97Å; S272-R302 VanDerWaalsContact OG-NE 3.1Å; S272-R302 PolarHBondContact OG-NH2 3.35Å |
| 273 | L | 97.1 | Very high | 93.1 | Very high | 22 Ų | 22 | 52.6 Ų | 52.6 | 12% | 0.115 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 104.1 | 165.4 | 173.1 | 58.5 | 0 | 0 | 0 | 107.8 | I237 L270 I275 F297 K300 I301 R302 | I237-L273 HydrophobicContact CB-CD1 3.71Å; I237-L273 HydrophobicContact CG2-CD1 3.5Å; I237-L273 CarbonylContact O-C 3.5Å; I237-L273 WeakPolarHBondContact O-CA 3.32Å; L270-L273 HydrophobicContact CD2-CB 4.3Å; L273-I275 HydrophobicContact CG-CG1 4.13Å; L273-F297 HydrophobicContact CD2-CE1 4.47Å; L273-F297 HydrophobicContact CD2-CZ 4.45Å; L273-K300 PolarHBondContact N-O 3.41Å; L273-I301 HydrophobicContact CD2-CG1 4.26Å; L273-I301 CarbonylContact O-C 3.51Å; L273-I301 WeakPolarHBondContact O-CA 3.39Å; L273-R302 PolarHBondContact O-N 2.91Å |
| 274 | V | 97.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 113.6 | 179.7 | -172.6 | 0 | 0 | 0 | 0 | 108.8 | L236 I237 I238 Y239 R302 V304 L310 I313 | L236-V274 HydrophobicContact CD1-CG2 4.31Å; L236-V274 HydrophobicContact CD2-CG2 4.37Å; I237-V274 PolarHBondContact O-N 3.37Å; I238-V274 CarbonylContact C-O 3.52Å; I238-V274 WeakPolarHBondContact CA-O 3.19Å; Y239-V274 PolarHBondContact N-O 3.15Å; V274-R302 CarbonylContact C-O 3.59Å; V274-R302 WeakPolarHBondContact CA-O 3.48Å; V274-V304 HydrophobicContact CG1-CG1 3.82Å; V274-V304 HydrophobicContact CG1-CG2 3.85Å; V274-L310 HydrophobicContact CB-CD1 4.33Å; V274-L310 HydrophobicContact CG1-CD1 3.64Å; V274-I313 HydrophobicContact CG2-CG2 4.32Å |
| 275 | I | 97.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 106.4 | -179.1 | -59.7 | 178.3 | 0 | 0 | 0 | 108.4 | Y239 L273 P278 I282 L286 I301 R302 Y303 V304 | Y239-I275 HydrophobicContact CD1-CG2 4.08Å; Y239-I275 WeakPolarHBondContact O-CA 3.31Å; L273-I275 HydrophobicContact CG-CG1 4.13Å; I275-P278 HydrophobicContact CG2-CB 3.85Å; I275-I282 HydrophobicContact CD1-CG2 4.22Å; I275-I282 HydrophobicContact CG2-CG2 4.38Å; I275-L286 HydrophobicContact CD1-CD1 3.54Å; I275-I301 HydrophobicContact CD1-CG2 3.65Å; I275-I301 HydrophobicContact CG1-CG2 4.28Å; I275-R302 PolarHBondContact N-O 3.13Å; I275-Y303 HydrophobicContact CB-CD1 3.98Å; I275-Y303 HydrophobicContact CB-CE1 4.38Å; I275-Y303 HydrophobicContact CD1-CD1 4.34Å; I275-Y303 HydrophobicContact CD1-CE1 3.89Å; I275-Y303 HydrophobicContact CG2-CD1 4.23Å; I275-V304 PolarHBondContact O-N 3.27Å |
| 276 | A | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 129.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y239 N241 V304 L310 | Y239-A276 PolarHBondContact O-N 2.67Å; N241-A276 WeakPolarHBondContact CB-O 3.49Å; N241-A276 PolarHBondContact N-O 2.78Å; A276-V304 HydrophobicContact CB-CG2 3.76Å; A276-L310 HydrophobicContact CB-CD2 4.47Å |
| 277 | H | 94.9 | Very high | 93.4 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.019 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 54.6 | 58.3 | -175.2 | -46.7 | -64.2 | 0 | 0 | 0 | 113.9 | N241 T279 V304 H305 Y328 E329 R332 | N241-H277 WeakPolarHBondContact CB-O 3.36Å; N241-H277 PolarHBondContact ND2-O 2.93Å; H277-T279 PolarHBondContact O-N 3.33Å; H277-V304 PolarHBondContact N-O 3.47Å; H277-H305 PolarHBondContact ND1-O 3.41Å; H277-Y328 HydrophobicContact CB-CD1 4.41Å; H277-Y328 HydrophobicContact CB-CE1 3.73Å; H277-Y328 AromaticContact CG-CE1 3.8Å; H277-E329 VanDerWaalsContact CE1-CD 3.47Å; H277-E329 IonicContact CE1-OE1 3.47Å; H277-E329 IonicContact CE1-OE2 3.83Å; H277-E329 PolarHBondContact CE1-OE2 3.29Å; H277-E329 IonicContact ND1-OE2 2.83Å; H277-R332 PolarHBondContact ND1-NH1 2.87Å |
| 278 | P | 93.8 | Very high | 93.4 | Very high | 16 Ų | 16 | 45.4 Ų | 45.4 | 10% | 0.104 | 22% | 0.219 | C | C | . | . | trans | -62.3 | 121.8 | -178.3 | 27.3 | -36.1 | 0 | 0 | 0 | 112 | I275 R283 Y303 V304 | I275-P278 HydrophobicContact CG2-CB 3.85Å; P278-R283 HydrophobicContact CB-CG 4.12Å; P278-Y303 HydrophobicContact CB-CD1 3.72Å; P278-Y303 HydrophobicContact CB-CE1 4.18Å; P278-Y303 HydrophobicContact CG-CD1 3.83Å; P278-Y303 HydrophobicContact CG-CG 4.29Å; P278-V304 VanDerWaalsContact CD-O 3.27Å; P278-V304 WeakPolarHBondContact CD-O 3.3Å | ||
| 279 | T | 91.8 | Very high | 93.2 | Very high | 45 Ų | 45 | 40 Ų | 40 | 28% | 0.276 | 20% | 0.198 | S | C | . | . | trans | -67.3 | 157 | 167.9 | 47.1 | 0 | 0 | 0 | 0 | 111.6 | N241 H277 F281 I282 R283 | N241-T279 WeakPolarHBondContact ND2-CG2 3.06Å; N241-T279 PolarHBondContact ND2-N 3.06Å; N241-T279 PolarHBondContact ND2-OG1 2.89Å; H277-T279 PolarHBondContact O-N 3.33Å; T279-F281 PolarHBondContact O-N 2.86Å; T279-I282 PolarHBondContact O-N 2.96Å; T279-I282 PolarHBondContact OG1-N 2.86Å; T279-R283 WeakPolarHBondContact O-CG 3.43Å; T279-R283 PolarHBondContact O-N 3.36Å; T279-R283 VanDerWaalsContact O-N 3.16Å | ||
| 280 | W | 90.8 | Very high | 93.1 | Very high | 202 Ų | 202 | 45.6 Ų | 45.6 | 77% | 0.765 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -53.4 | -40 | 169.9 | -179 | 86.6 | 0 | 0 | 0 | 111.8 | I282 R283 T284 | W280-I282 PolarHBondContact O-N 3.26Å; W280-R283 PolarHBondContact O-N 2.96Å; W280-T284 VanDerWaalsContact CE2-OG1 3.32Å; W280-T284 HydrophobicContact CH2-CG2 4.34Å; W280-T284 WeakPolarHBondContact CZ2-OG1 3.48Å; W280-T284 PolarHBondContact O-N 3.12Å; W280-T284 PolarHBondContact O-OG1 3.33Å; W280-T284 VanDerWaalsContact O-OG1 3.12Å |
| 281 | F | 89.9 | Confident | 92.9 | Very high | 40 Ų | 40 | 50.4 Ų | 50.4 | 18% | 0.175 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.2 | -52 | 176.1 | 176.8 | -107.2 | 0 | 0 | 0 | 112.6 | R246 M249 T279 R283 T284 V285 | R246-F281 VanDerWaalsContact CZ-CZ 3.47Å; M249-F281 HydrophobicContact CB-CD1 4.1Å; M249-F281 HydrophobicContact CB-CE1 3.69Å; M249-F281 HydrophobicContact CG-CD1 4.06Å; M249-F281 HydrophobicContact CG-CE1 4.12Å; T279-F281 PolarHBondContact O-N 2.86Å; F281-R283 VanDerWaalsContact C-N 3.33Å; F281-R283 PolarHBondContact O-N 3.07Å; F281-T284 PolarHBondContact O-N 3.28Å; F281-V285 HydrophobicContact CD1-CG2 4.31Å; F281-V285 HydrophobicContact CD2-CG2 4.01Å; F281-V285 HydrophobicContact CE1-CG2 3.87Å; F281-V285 HydrophobicContact CE2-CG2 3.54Å; F281-V285 HydrophobicContact CG-CG2 4.38Å; F281-V285 HydrophobicContact CZ-CG2 3.47Å; F281-V285 VanDerWaalsContact CZ-CG2 3.47Å; F281-V285 WeakPolarHBondContact O-CB 3.12Å; F281-V285 VanDerWaalsContact O-CG2 3.31Å; F281-V285 WeakPolarHBondContact O-CG2 3.45Å; F281-V285 PolarHBondContact O-N 3.19Å |
| 282 | I | 91.3 | Very high | 92.5 | Very high | 14 Ų | 14 | 51.1 Ų | 51.1 | 7% | 0.072 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.1 | -41 | 179.2 | -72.1 | 177.3 | 0 | 0 | 0 | 111.5 | Y239 N241 M249 I275 T279 W280 T284 V285 L286 | Y239-I282 HydrophobicContact CD1-CD1 4.35Å; Y239-I282 HydrophobicContact CE1-CD1 3.44Å; Y239-I282 VanDerWaalsContact CE1-CD1 3.44Å; N241-I282 HydrophobicContact CB-CD1 4.17Å; N241-I282 WeakPolarHBondContact OD1-CD1 3.14Å; M249-I282 HydrophobicContact SD-CD1 4.31Å; M249-I282 HydrophobicContact SD-CG1 4.49Å; I275-I282 HydrophobicContact CD1-CG2 4.22Å; I275-I282 HydrophobicContact CG2-CG2 4.38Å; T279-I282 PolarHBondContact O-N 2.96Å; T279-I282 PolarHBondContact OG1-N 2.86Å; W280-I282 PolarHBondContact O-N 3.26Å; I282-T284 PolarHBondContact O-N 3.3Å; I282-V285 PolarHBondContact O-N 3.43Å; I282-L286 HydrophobicContact CG2-CD1 3.69Å; I282-L286 HydrophobicContact CG2-CG 4.31Å; I282-L286 WeakPolarHBondContact O-CB 3.35Å; I282-L286 WeakPolarHBondContact O-CG 3.48Å; I282-L286 PolarHBondContact O-N 2.92Å |
| 283 | R | 92.9 | Very high | 92.2 | Very high | 101 Ų | 101 | 52.2 Ų | 52.2 | 38% | 0.381 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 177.6 | -63.5 | 171.5 | 74.7 | 99.6 | -0.5 | 111.2 | P278 T279 W280 F281 A287 Y303 H305 | P278-R283 HydrophobicContact CB-CG 4.12Å; T279-R283 WeakPolarHBondContact O-CG 3.43Å; T279-R283 PolarHBondContact O-N 3.36Å; T279-R283 VanDerWaalsContact O-N 3.16Å; W280-R283 PolarHBondContact O-N 2.96Å; F281-R283 VanDerWaalsContact C-N 3.33Å; F281-R283 PolarHBondContact O-N 3.07Å; R283-A287 WeakPolarHBondContact O-CB 3.34Å; R283-A287 PolarHBondContact O-N 3.1Å; R283-Y303 HydrophobicContact CG-CE1 4.47Å; R283-H305 PolarHBondContact NH1-NE2 3.12Å |
| 284 | T | 92.9 | Very high | 91.9 | Very high | 45 Ų | 45 | 53.8 Ų | 53.8 | 28% | 0.276 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.3 | -47.4 | 175.9 | -61.6 | 0 | 0 | 0 | 0 | 111.5 | W280 F281 I282 L286 A287 I288 | W280-T284 VanDerWaalsContact CE2-OG1 3.32Å; W280-T284 HydrophobicContact CH2-CG2 4.34Å; W280-T284 WeakPolarHBondContact CZ2-OG1 3.48Å; W280-T284 PolarHBondContact O-N 3.12Å; W280-T284 PolarHBondContact O-OG1 3.33Å; W280-T284 VanDerWaalsContact O-OG1 3.12Å; F281-T284 PolarHBondContact O-N 3.28Å; I282-T284 PolarHBondContact O-N 3.3Å; T284-L286 PolarHBondContact O-N 2.67Å; T284-A287 PolarHBondContact O-N 3.46Å; T284-I288 WeakPolarHBondContact O-CG1 3.32Å; T284-I288 PolarHBondContact O-N 2.74Å |
| 285 | V | 90.5 | Very high | 91.7 | Very high | 11 Ų | 11 | 58 Ų | 58 | 7% | 0.067 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.2 | -45.1 | 177.4 | 170 | 0 | 0 | 0 | 0 | 111.5 | I252 L255 F281 I282 I288 S289 | I252-V285 HydrophobicContact CG1-CG1 4.28Å; I252-V285 HydrophobicContact CG1-CG2 3.93Å; L255-V285 HydrophobicContact CD1-CG1 3.69Å; F281-V285 HydrophobicContact CD1-CG2 4.31Å; F281-V285 HydrophobicContact CD2-CG2 4.01Å; F281-V285 HydrophobicContact CE1-CG2 3.87Å; F281-V285 HydrophobicContact CE2-CG2 3.54Å; F281-V285 HydrophobicContact CG-CG2 4.38Å; F281-V285 HydrophobicContact CZ-CG2 3.47Å; F281-V285 VanDerWaalsContact CZ-CG2 3.47Å; F281-V285 WeakPolarHBondContact O-CB 3.12Å; F281-V285 VanDerWaalsContact O-CG2 3.31Å; F281-V285 WeakPolarHBondContact O-CG2 3.45Å; F281-V285 PolarHBondContact O-N 3.19Å; I282-V285 PolarHBondContact O-N 3.43Å; V285-I288 WeakPolarHBondContact O-CG1 3.38Å; V285-I288 PolarHBondContact O-N 3.32Å; V285-S289 WeakPolarHBondContact O-CB 3.47Å; V285-S289 PolarHBondContact O-N 3.17Å; V285-S289 PolarHBondContact O-OG 3.02Å; V285-S289 VanDerWaalsContact O-OG 3.11Å |
| 286 | L | 92.1 | Very high | 91.5 | Very high | 23 Ų | 23 | 66.3 Ų | 66.3 | 12% | 0.12 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.9 | -38.9 | 177.5 | -72.4 | 172 | 0 | 0 | 0 | 111.8 | I275 I282 T284 S289 R290 M298 I301 Y303 | I275-L286 HydrophobicContact CD1-CD1 3.54Å; I282-L286 HydrophobicContact CG2-CD1 3.69Å; I282-L286 HydrophobicContact CG2-CG 4.31Å; I282-L286 WeakPolarHBondContact O-CB 3.35Å; I282-L286 WeakPolarHBondContact O-CG 3.48Å; I282-L286 PolarHBondContact O-N 2.92Å; T284-L286 PolarHBondContact O-N 2.67Å; L286-S289 WeakPolarHBondContact CA-OG 3.46Å; L286-S289 PolarHBondContact O-N 2.81Å; L286-S289 PolarHBondContact O-OG 2.97Å; L286-R290 PolarHBondContact O-N 2.61Å; L286-M298 HydrophobicContact CB-CE 4.43Å; L286-M298 WeakPolarHBondContact O-CE 3.41Å; L286-I301 HydrophobicContact CD1-CD1 4.28Å; L286-I301 HydrophobicContact CD1-CG2 4.32Å; L286-I301 HydrophobicContact CD2-CD1 3.82Å; L286-Y303 HydrophobicContact CD1-CE1 3.99Å; L286-Y303 VanDerWaalsContact CD1-OH 3.24Å; L286-Y303 WeakPolarHBondContact CD1-OH 3.16Å |
| 287 | A | 92.4 | Very high | 91.3 | Very high | 64 Ų | 64 | 67.7 Ų | 67.7 | 53% | 0.529 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.7 | -49.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R283 T284 S289 R290 | R283-A287 WeakPolarHBondContact O-CB 3.34Å; R283-A287 PolarHBondContact O-N 3.1Å; T284-A287 PolarHBondContact O-N 3.46Å; A287-S289 VanDerWaalsContact C-N 3.33Å; A287-S289 PolarHBondContact O-N 3.31Å; A287-R290 VanDerWaalsContact O-CB 3.24Å; A287-R290 WeakPolarHBondContact O-CB 3.43Å; A287-R290 PolarHBondContact O-N 2.91Å |
| 288 | I | 91.4 | Very high | 91.2 | Very high | 84 Ų | 84 | 68.6 Ų | 68.6 | 43% | 0.431 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -73.6 | -22.1 | 179.5 | 68.8 | -175.7 | 0 | 0 | 0 | 113.3 | I252 T284 V285 R290 P291 | I252-I288 HydrophobicContact CD1-CD1 3.51Å; I252-I288 HydrophobicContact CG1-CD1 4.06Å; T284-I288 WeakPolarHBondContact O-CG1 3.32Å; T284-I288 PolarHBondContact O-N 2.74Å; V285-I288 WeakPolarHBondContact O-CG1 3.38Å; V285-I288 PolarHBondContact O-N 3.32Å; I288-R290 VanDerWaalsContact C-N 3.3Å; I288-P291 WeakPolarHBondContact O-CD 3.26Å |
| 289 | S | 87.8 | Confident | 91.3 | Very high | 14 Ų | 14 | 73.5 Ų | 73.5 | 10% | 0.098 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -79.1 | -12.6 | 176.8 | 72.5 | 0 | 0 | 0 | 0 | 113.7 | V285 L286 A287 P291 F292 I293 | V285-S289 WeakPolarHBondContact O-CB 3.47Å; V285-S289 PolarHBondContact O-N 3.17Å; V285-S289 PolarHBondContact O-OG 3.02Å; V285-S289 VanDerWaalsContact O-OG 3.11Å; L286-S289 WeakPolarHBondContact CA-OG 3.46Å; L286-S289 PolarHBondContact O-N 2.81Å; L286-S289 PolarHBondContact O-OG 2.97Å; A287-S289 VanDerWaalsContact C-N 3.33Å; A287-S289 PolarHBondContact O-N 3.31Å; S289-P291 VanDerWaalsContact C-N 3.3Å; S289-P291 VanDerWaalsContact O-N 3.16Å; S289-F292 PolarHBondContact O-N 3.08Å; S289-I293 PolarHBondContact O-N 3.06Å; S289-I293 VanDerWaalsContact OG-CD1 3.3Å; S289-I293 WeakPolarHBondContact OG-CD1 3.24Å |
| 290 | R | 89.7 | Confident | 91.5 | Very high | 148 Ų | 148 | 73.1 Ų | 73.1 | 56% | 0.558 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -31.6 | -178.9 | -166.8 | 178.3 | -176.8 | 112.3 | 0.8 | 115.6 | L286 A287 I288 F292 | L286-R290 PolarHBondContact O-N 2.61Å; A287-R290 VanDerWaalsContact O-CB 3.24Å; A287-R290 WeakPolarHBondContact O-CB 3.43Å; A287-R290 PolarHBondContact O-N 2.91Å; I288-R290 VanDerWaalsContact C-N 3.3Å; R290-F292 VanDerWaalsContact C-N 3.28Å; R290-F292 PolarHBondContact O-N 2.56Å |
| 291 | P | 89.5 | Confident | 91.8 | Very high | 104 Ų | 104 | 64.5 Ų | 64.5 | 68% | 0.675 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -22.2 | 173.3 | -19.5 | 33.7 | 0 | 0 | 0 | 114.1 | I288 S289 | I288-P291 WeakPolarHBondContact O-CD 3.26Å; S289-P291 VanDerWaalsContact C-N 3.3Å; S289-P291 VanDerWaalsContact O-N 3.16Å |
| 292 | F | 87.3 | Confident | 92.1 | Very high | 129 Ų | 129 | 68.7 Ų | 68.7 | 57% | 0.566 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | -17.3 | -173 | -49.5 | -70.4 | 0 | 0 | 0 | 113.3 | S289 R290 | S289-F292 PolarHBondContact O-N 3.08Å; R290-F292 VanDerWaalsContact C-N 3.28Å; R290-F292 PolarHBondContact O-N 2.56Å |
| 293 | I | 88.6 | Confident | 92.4 | Very high | 25 Ų | 25 | 71.3 Ų | 71.3 | 13% | 0.128 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -102.9 | 135.5 | 177.9 | -60.3 | -175.6 | 0 | 0 | 0 | 109.1 | Y259 S289 F297 M298 | Y259-I293 HydrophobicContact CD1-CG1 4.37Å; Y259-I293 HydrophobicContact CE1-CG1 4.43Å; Y259-I293 HydrophobicContact CE2-CG2 3.97Å; Y259-I293 HydrophobicContact CG-CG1 4.42Å; S289-I293 PolarHBondContact O-N 3.06Å; S289-I293 VanDerWaalsContact OG-CD1 3.3Å; S289-I293 WeakPolarHBondContact OG-CD1 3.24Å; I293-F297 HydrophobicContact CG2-CB 3.9Å; I293-F297 HydrophobicContact CG2-CD1 3.48Å; I293-F297 VanDerWaalsContact CG2-CD1 3.48Å; I293-F297 HydrophobicContact CG2-CE1 4.35Å; I293-F297 HydrophobicContact CG2-CG 3.99Å; I293-M298 HydrophobicContact CB-CG 4.27Å; I293-M298 HydrophobicContact CB-SD 3.93Å; I293-M298 HydrophobicContact CD1-SD 4.3Å; I293-M298 HydrophobicContact CG2-CG 3.89Å; I293-M298 HydrophobicContact CG2-SD 3.65Å |
| 294 | S | 90.9 | Very high | 92.6 | Very high | 56 Ų | 56 | 66.5 Ų | 66.5 | 39% | 0.392 | 34% | 0.336 | S | S | . | . | trans | -61.8 | 141.2 | -178.3 | 70.5 | 0 | 0 | 0 | 0 | 111.8 | Y259 K296 F297 M298 | Y259-S294 PolarHBondContact OH-N 3.1Å; Y259-S294 PolarHBondContact OH-OG 2.72Å; S294-K296 PolarHBondContact O-N 2.94Å; S294-F297 WeakPolarHBondContact O-CA 3.19Å; S294-F297 WeakPolarHBondContact O-CB 3.31Å; S294-F297 PolarHBondContact O-N 3.03Å; S294-F297 WeakPolarHBondContact OG-CB 3.48Å; S294-F297 PolarHBondContact OG-N 2.86Å; S294-M298 PolarHBondContact O-N 3.08Å | ||
| 295 | V | 92.2 | Very high | 92.6 | Very high | 89 Ų | 89 | 69.1 Ų | 69.1 | 54% | 0.539 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -55.2 | -38.8 | 176.9 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | F297 M298 N299 | V295-F297 VanDerWaalsContact C-N 3.27Å; V295-F297 PolarHBondContact O-N 3.09Å; V295-M298 PolarHBondContact O-N 3.2Å; V295-N299 PolarHBondContact O-N 3.26Å; V295-N299 PolarHBondContact O-OD1 2.87Å |
| 296 | K | 93 | Very high | 92.9 | Very high | 179 Ų | 179 | 70 Ų | 70 | 78% | 0.778 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -59.9 | -33.6 | 174.5 | -67.8 | -176 | 178.6 | -179.7 | 0 | 113.1 | S294 K300 | S294-K296 PolarHBondContact O-N 2.94Å; K296-K300 WeakPolarHBondContact O-CG 3.49Å |
| 297 | F | 93.8 | Very high | 93 | Very high | 29 Ų | 29 | 70.4 Ų | 70.4 | 13% | 0.127 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -78.4 | -42.8 | 174 | -173.7 | -81.8 | 0 | 0 | 0 | 111.7 | Y259 R267 L270 L273 I293 S294 V295 N299 K300 I301 | Y259-F297 HydrophobicContact CE2-CB 4.49Å; Y259-F297 HydrophobicContact CE2-CD1 4.27Å; Y259-F297 HydrophobicContact CE2-CD2 4.08Å; Y259-F297 HydrophobicContact CE2-CE2 4.36Å; Y259-F297 HydrophobicContact CE2-CG 4.02Å; R267-F297 HydrophobicContact CG-CD2 4.47Å; R267-F297 HydrophobicContact CG-CE2 4.41Å; L270-F297 HydrophobicContact CD2-CD2 4.32Å; L270-F297 HydrophobicContact CD2-CE2 3.51Å; L270-F297 HydrophobicContact CD2-CZ 3.9Å; L273-F297 HydrophobicContact CD2-CE1 4.47Å; L273-F297 HydrophobicContact CD2-CZ 4.45Å; I293-F297 HydrophobicContact CG2-CB 3.9Å; I293-F297 HydrophobicContact CG2-CD1 3.48Å; I293-F297 VanDerWaalsContact CG2-CD1 3.48Å; I293-F297 HydrophobicContact CG2-CE1 4.35Å; I293-F297 HydrophobicContact CG2-CG 3.99Å; S294-F297 WeakPolarHBondContact O-CA 3.19Å; S294-F297 WeakPolarHBondContact O-CB 3.31Å; S294-F297 PolarHBondContact O-N 3.03Å; S294-F297 WeakPolarHBondContact OG-CB 3.48Å; S294-F297 PolarHBondContact OG-N 2.86Å; V295-F297 VanDerWaalsContact C-N 3.27Å; V295-F297 PolarHBondContact O-N 3.09Å; F297-N299 PolarHBondContact O-N 3.3Å; F297-K300 VanDerWaalsContact O-CB 3.31Å; F297-K300 WeakPolarHBondContact O-CB 3.35Å; F297-K300 PolarHBondContact O-N 3.46Å; F297-I301 HydrophobicContact CD1-CD1 4.49Å; F297-I301 HydrophobicContact CE1-CD1 4.34Å |
| 298 | M | 93.3 | Very high | 93.2 | Very high | 22 Ų | 22 | 72.8 Ų | 72.8 | 11% | 0.108 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.5 | -36.4 | 176.4 | -66.8 | -58.9 | -67.6 | 0 | 0 | 112.2 | L286 I293 S294 V295 K300 I301 | L286-M298 HydrophobicContact CB-CE 4.43Å; L286-M298 WeakPolarHBondContact O-CE 3.41Å; I293-M298 HydrophobicContact CB-CG 4.27Å; I293-M298 HydrophobicContact CB-SD 3.93Å; I293-M298 HydrophobicContact CD1-SD 4.3Å; I293-M298 HydrophobicContact CG2-CG 3.89Å; I293-M298 HydrophobicContact CG2-SD 3.65Å; S294-M298 PolarHBondContact O-N 3.08Å; V295-M298 PolarHBondContact O-N 3.2Å; M298-K300 PolarHBondContact O-N 3.49Å; M298-I301 HydrophobicContact CE-CD1 4.26Å; M298-I301 WeakPolarHBondContact O-CB 3.36Å; M298-I301 PolarHBondContact O-N 2.85Å; M298-I301 HydrophobicContact SD-CD1 3.94Å |
| 299 | N | 95.6 | Very high | 93.4 | Very high | 119 Ų | 119 | 72 Ų | 72 | 64% | 0.636 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -12.9 | 176.5 | -68.1 | -1.6 | 0 | 0 | 0 | 114.3 | V295 F297 | V295-N299 PolarHBondContact O-N 3.26Å; V295-N299 PolarHBondContact O-OD1 2.87Å; F297-N299 PolarHBondContact O-N 3.3Å |
| 300 | K | 95.8 | Very high | 93.8 | Very high | 38 Ų | 38 | 71.3 Ų | 71.3 | 17% | 0.165 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -15.6 | 174.9 | -62.9 | 169.8 | 173.8 | -159.5 | 0 | 112.5 | R267 K268 L270 S272 L273 K296 F297 M298 | R267-K300 PolarHBondContact O-NZ 3.28Å; K268-K300 PolarHBondContact O-NZ 3.46Å; L270-K300 HydrophobicContact CB-CD 4.49Å; L270-K300 HydrophobicContact CG-CD 4.46Å; L270-K300 WeakPolarHBondContact O-CD 3.48Å; L270-K300 WeakPolarHBondContact O-CE 3.26Å; L270-K300 PolarHBondContact O-NZ 3.21Å; S272-K300 WeakPolarHBondContact CA-O 3.39Å; S272-K300 PolarHBondContact OG-O 2.82Å; S272-K300 VanDerWaalsContact OG-O 3.07Å; L273-K300 PolarHBondContact N-O 3.41Å; K296-K300 WeakPolarHBondContact O-CG 3.49Å; F297-K300 VanDerWaalsContact O-CB 3.31Å; F297-K300 WeakPolarHBondContact O-CB 3.35Å; F297-K300 PolarHBondContact O-N 3.46Å; M298-K300 PolarHBondContact O-N 3.49Å |
| 301 | I | 96.7 | Very high | 94.1 | Very high | 20 Ų | 20 | 66.9 Ų | 66.9 | 10% | 0.103 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 121.1 | -175.5 | -51.8 | -175.4 | 0 | 0 | 0 | 109.6 | L273 I275 L286 F297 M298 Y303 | L273-I301 HydrophobicContact CD2-CG1 4.26Å; L273-I301 CarbonylContact O-C 3.51Å; L273-I301 WeakPolarHBondContact O-CA 3.39Å; I275-I301 HydrophobicContact CD1-CG2 3.65Å; I275-I301 HydrophobicContact CG1-CG2 4.28Å; L286-I301 HydrophobicContact CD1-CD1 4.28Å; L286-I301 HydrophobicContact CD1-CG2 4.32Å; L286-I301 HydrophobicContact CD2-CD1 3.82Å; F297-I301 HydrophobicContact CD1-CD1 4.49Å; F297-I301 HydrophobicContact CE1-CD1 4.34Å; M298-I301 HydrophobicContact CE-CD1 4.26Å; M298-I301 WeakPolarHBondContact O-CB 3.36Å; M298-I301 PolarHBondContact O-N 2.85Å; M298-I301 HydrophobicContact SD-CD1 3.94Å; I301-Y303 HydrophobicContact CG2-CE1 4.24Å |
| 302 | R | 96.9 | Very high | 94.3 | Very high | 129 Ų | 129 | 70 Ų | 70 | 49% | 0.487 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 142.6 | 169.7 | -77.8 | -174.1 | -91.5 | -162.6 | -6.2 | 109.6 | S272 L273 V274 I275 | S272-R302 PolarHBondContact OG-NE 2.97Å; S272-R302 VanDerWaalsContact OG-NE 3.1Å; S272-R302 PolarHBondContact OG-NH2 3.35Å; L273-R302 PolarHBondContact O-N 2.91Å; V274-R302 CarbonylContact C-O 3.59Å; V274-R302 WeakPolarHBondContact CA-O 3.48Å; I275-R302 PolarHBondContact N-O 3.13Å |
| 303 | Y | 97 | Very high | 94.6 | Very high | 68 Ų | 68 | 66.9 Ų | 66.9 | 27% | 0.267 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 130.8 | 176.4 | -63.7 | -65 | 0 | 0 | 0 | 108.2 | I275 P278 R283 L286 I301 | I275-Y303 HydrophobicContact CB-CD1 3.98Å; I275-Y303 HydrophobicContact CB-CE1 4.38Å; I275-Y303 HydrophobicContact CD1-CD1 4.34Å; I275-Y303 HydrophobicContact CD1-CE1 3.89Å; I275-Y303 HydrophobicContact CG2-CD1 4.23Å; P278-Y303 HydrophobicContact CB-CD1 3.72Å; P278-Y303 HydrophobicContact CB-CE1 4.18Å; P278-Y303 HydrophobicContact CG-CD1 3.83Å; P278-Y303 HydrophobicContact CG-CG 4.29Å; R283-Y303 HydrophobicContact CG-CE1 4.47Å; L286-Y303 HydrophobicContact CD1-CE1 3.99Å; L286-Y303 VanDerWaalsContact CD1-OH 3.24Å; L286-Y303 WeakPolarHBondContact CD1-OH 3.16Å; I301-Y303 HydrophobicContact CG2-CE1 4.24Å |
| 304 | V | 96.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 141.6 | 170.1 | -58.9 | 0 | 0 | 0 | 0 | 110 | V274 I275 A276 H277 P278 E309 L310 I313 | V274-V304 HydrophobicContact CG1-CG1 3.82Å; V274-V304 HydrophobicContact CG1-CG2 3.85Å; I275-V304 PolarHBondContact O-N 3.27Å; A276-V304 HydrophobicContact CB-CG2 3.76Å; H277-V304 PolarHBondContact N-O 3.47Å; P278-V304 VanDerWaalsContact CD-O 3.27Å; P278-V304 WeakPolarHBondContact CD-O 3.3Å; V304-E309 WeakPolarHBondContact CA-OE2 3.34Å; V304-E309 HydrophobicContact CB-CB 4.14Å; V304-E309 HydrophobicContact CB-CG 3.87Å; V304-E309 HydrophobicContact CG1-CB 4.4Å; V304-E309 HydrophobicContact CG1-CG 3.73Å; V304-L310 HydrophobicContact CG2-CB 4.08Å; V304-L310 HydrophobicContact CG2-CD1 4.3Å; V304-I313 HydrophobicContact CG1-CD1 3.65Å |
| 305 | H | 94.4 | Very high | 94.8 | Very high | 100 Ų | 100 | 65.9 Ų | 65.9 | 46% | 0.463 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -108.7 | -10.1 | -171.8 | -62.2 | 90.8 | 0 | 0 | 0 | 113.4 | H277 R283 E309 R332 | H277-H305 PolarHBondContact ND1-O 3.41Å; R283-H305 PolarHBondContact NH1-NE2 3.12Å; H305-E309 PolarHBondContact N-OE2 3.45Å; H305-R332 PolarHBondContact O-NH1 3.43Å; H305-R332 PolarHBondContact O-NH2 3.28Å |
| 306 | S | 94.9 | Very high | 94.8 | Very high | 30 Ų | 30 | 64 Ų | 64 | 21% | 0.21 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -129.8 | 164.3 | 167.9 | 62.3 | 0 | 0 | 0 | 0 | 113.1 | D308 E309 L310 E329 | S306-D308 VanDerWaalsContact C-N 3.3Å; S306-E309 WeakPolarHBondContact OG-CB 3.37Å; S306-E309 PolarHBondContact OG-N 3.43Å; S306-E309 VanDerWaalsContact OG-N 3.09Å; S306-L310 PolarHBondContact O-N 3.44Å; S306-E329 WeakPolarHBondContact CA-OE1 3.43Å; S306-E329 WeakPolarHBondContact CB-OE1 3.46Å |
| 307 | L | 95.4 | Very high | 94.7 | Very high | 31 Ų | 31 | 63.5 Ų | 63.5 | 16% | 0.162 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -71.2 | -27.5 | 168.5 | -66.4 | 178.7 | 0 | 0 | 0 | 112 | L310 A311 V321 V325 E329 | L307-L310 HydrophobicContact CD2-CD2 4.35Å; L307-L310 WeakPolarHBondContact O-CB 3.35Å; L307-L310 PolarHBondContact O-N 2.9Å; L307-A311 PolarHBondContact O-N 3.24Å; L307-V321 HydrophobicContact CD1-CG1 4.08Å; L307-V321 HydrophobicContact CD2-CG1 4.35Å; L307-V325 HydrophobicContact CD2-CG1 4.33Å; L307-E329 HydrophobicContact CD1-CB 4.31Å; L307-E329 HydrophobicContact CD1-CG 4.33Å; L307-E329 HydrophobicContact CG-CG 4.29Å; L307-E329 PolarHBondContact N-OE1 3.2Å |
| 308 | D | 95.7 | Very high | 94.6 | Very high | 114 Ų | 114 | 68.2 Ų | 68.2 | 61% | 0.61 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.7 | -45.9 | 173.3 | -57.7 | -35.9 | 0 | 0 | 0 | 111.4 | S306 L310 A311 E312 | S306-D308 VanDerWaalsContact C-N 3.3Å; D308-L310 PolarHBondContact O-N 3.16Å; D308-A311 WeakPolarHBondContact O-CB 3.37Å; D308-A311 PolarHBondContact O-N 2.85Å; D308-E312 PolarHBondContact O-N 2.85Å; D308-E312 VanDerWaalsContact O-N 3.14Å |
| 309 | E | 96.3 | Very high | 94.7 | Very high | 67 Ų | 67 | 67.8 Ų | 67.8 | 31% | 0.313 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.6 | -29.2 | 176.6 | -172.9 | -172 | 177.3 | 0 | 0 | 111.8 | V304 H305 S306 I313 | V304-E309 WeakPolarHBondContact CA-OE2 3.34Å; V304-E309 HydrophobicContact CB-CB 4.14Å; V304-E309 HydrophobicContact CB-CG 3.87Å; V304-E309 HydrophobicContact CG1-CB 4.4Å; V304-E309 HydrophobicContact CG1-CG 3.73Å; H305-E309 PolarHBondContact N-OE2 3.45Å; S306-E309 WeakPolarHBondContact OG-CB 3.37Å; S306-E309 PolarHBondContact OG-N 3.43Å; S306-E309 VanDerWaalsContact OG-N 3.09Å; E309-I313 WeakPolarHBondContact O-CG1 3.46Å |
| 310 | L | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.1 | -44 | 170.3 | -177.4 | 63.7 | 0 | 0 | 0 | 111.2 | I238 M240 V274 A276 V304 S306 L307 D308 E312 I313 V314 M316 | I238-L310 HydrophobicContact CD1-CD1 4.4Å; I238-L310 HydrophobicContact CG1-CD1 4.4Å; I238-L310 HydrophobicContact CG2-CD1 3.98Å; I238-L310 HydrophobicContact CG2-CD2 3.89Å; M240-L310 HydrophobicContact CE-CD2 4.37Å; V274-L310 HydrophobicContact CB-CD1 4.33Å; V274-L310 HydrophobicContact CG1-CD1 3.64Å; A276-L310 HydrophobicContact CB-CD2 4.47Å; V304-L310 HydrophobicContact CG2-CB 4.08Å; V304-L310 HydrophobicContact CG2-CD1 4.3Å; S306-L310 PolarHBondContact O-N 3.44Å; L307-L310 HydrophobicContact CD2-CD2 4.35Å; L307-L310 WeakPolarHBondContact O-CB 3.35Å; L307-L310 PolarHBondContact O-N 2.9Å; D308-L310 PolarHBondContact O-N 3.16Å; L310-E312 VanDerWaalsContact C-N 3.26Å; L310-E312 PolarHBondContact O-N 3.01Å; L310-I313 PolarHBondContact O-N 3.31Å; L310-V314 HydrophobicContact CD1-CG2 3.62Å; L310-V314 HydrophobicContact CG-CG2 3.74Å; L310-V314 VanDerWaalsContact O-CG2 3.22Å; L310-V314 WeakPolarHBondContact O-CG2 3.45Å; L310-V314 PolarHBondContact O-N 2.88Å; L310-M316 HydrophobicContact CD2-CE 3.92Å; L310-M316 HydrophobicContact CD2-SD 3.82Å; L310-M316 HydrophobicContact CG-SD 3.87Å |
| 311 | A | 95.7 | Very high | 94.6 | Very high | 55 Ų | 55 | 66 Ų | 66 | 46% | 0.455 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.1 | -24.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L307 D308 I313 M316 | L307-A311 PolarHBondContact O-N 3.24Å; D308-A311 WeakPolarHBondContact O-CB 3.37Å; D308-A311 PolarHBondContact O-N 2.85Å; A311-I313 PolarHBondContact O-N 3.49Å; A311-M316 HydrophobicContact CB-CG 3.79Å |
| 312 | E | 94.9 | Very high | 94.5 | Very high | 169 Ų | 169 | 65 Ų | 65 | 79% | 0.79 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -20.9 | 170.4 | -68.6 | -178.7 | -177 | 0 | 0 | 113.3 | D308 L310 | D308-E312 PolarHBondContact O-N 2.85Å; D308-E312 VanDerWaalsContact O-N 3.14Å; L310-E312 VanDerWaalsContact C-N 3.26Å; L310-E312 PolarHBondContact O-N 3.01Å |
| 313 | I | 91.9 | Very high | 94.4 | Very high | 64 Ų | 64 | 64.1 Ų | 64.1 | 33% | 0.328 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -31.9 | -173.7 | -56.6 | 173.5 | 0 | 0 | 0 | 112.2 | V274 V304 E309 L310 A311 | V274-I313 HydrophobicContact CG2-CG2 4.32Å; V304-I313 HydrophobicContact CG1-CD1 3.65Å; E309-I313 WeakPolarHBondContact O-CG1 3.46Å; L310-I313 PolarHBondContact O-N 3.31Å; A311-I313 PolarHBondContact O-N 3.49Å |
| 314 | V | 92 | Very high | 94.3 | Very high | 5 Ų | 5 | 62.8 Ų | 62.8 | 3% | 0.03 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -135.9 | 144.4 | -174.7 | -69.2 | 0 | 0 | 0 | 0 | 112.5 | L236 I238 L310 M316 | L236-V314 HydrophobicContact CD1-CG1 3.71Å; L236-V314 HydrophobicContact CD2-CG1 3.71Å; L236-V314 HydrophobicContact CG-CG1 4.39Å; I238-V314 HydrophobicContact CD1-CB 4.39Å; I238-V314 HydrophobicContact CD1-CG1 4.42Å; I238-V314 HydrophobicContact CD1-CG2 3.8Å; L310-V314 HydrophobicContact CD1-CG2 3.62Å; L310-V314 HydrophobicContact CG-CG2 3.74Å; L310-V314 VanDerWaalsContact O-CG2 3.22Å; L310-V314 WeakPolarHBondContact O-CG2 3.45Å; L310-V314 PolarHBondContact O-N 2.88Å; V314-M316 HydrophobicContact CG2-SD 3.84Å; V314-M316 PolarHBondContact O-N 2.98Å |
| 315 | P | 92.1 | Very high | 94.2 | Very high | 54 Ų | 54 | 62.8 Ų | 62.8 | 35% | 0.351 | 32% | 0.323 | S | S | . | . | trans | -69 | 114.3 | 173.2 | 29 | -33.1 | 0 | 0 | 0 | 109.9 | I196 E317 | I196-P315 HydrophobicContact CD1-CG 3.82Å; P315-E317 VanDerWaalsContact C-N 3.34Å; P315-E317 PolarHBondContact O-N 2.85Å | ||
| 316 | M | 93.2 | Very high | 94.2 | Very high | 51 Ų | 51 | 61.9 Ų | 61.9 | 25% | 0.251 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -83.2 | -5.5 | -173 | -69.3 | -65.6 | -70.3 | 0 | 0 | 114.7 | L310 A311 V314 H318 V319 V321 | L310-M316 HydrophobicContact CD2-CE 3.92Å; L310-M316 HydrophobicContact CD2-SD 3.82Å; L310-M316 HydrophobicContact CG-SD 3.87Å; A311-M316 HydrophobicContact CB-CG 3.79Å; V314-M316 HydrophobicContact CG2-SD 3.84Å; V314-M316 PolarHBondContact O-N 2.98Å; M316-H318 PolarHBondContact O-N 2.87Å; M316-H318 VanDerWaalsContact O-N 3.09Å; M316-V319 HydrophobicContact CE-CB 4.06Å; M316-V319 HydrophobicContact CE-CG1 3.68Å; M316-V319 PolarHBondContact O-N 3.38Å; M316-V319 HydrophobicContact SD-CB 3.91Å; M316-V319 HydrophobicContact SD-CG1 3.82Å; M316-V319 HydrophobicContact SD-CG2 4.11Å; M316-V321 HydrophobicContact CE-CG2 3.73Å |
| 317 | E | 90.3 | Very high | 94.2 | Very high | 167 Ų | 167 | 65 Ų | 65 | 78% | 0.78 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -50.9 | -37.6 | -173.4 | -62.3 | 171.7 | 176.6 | 0 | 0 | 114.5 | P315 | P315-E317 VanDerWaalsContact C-N 3.34Å; P315-E317 PolarHBondContact O-N 2.85Å |
| 318 | H | 91.4 | Very high | 94.1 | Very high | 128 Ų | 128 | 67 Ų | 67 | 59% | 0.593 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -112.8 | 5 | -177.1 | -60.2 | 88.3 | 0 | 0 | 0 | 112.3 | G186 M316 H320 | G186-H318 CarbonylContact C-O 3.56Å; G186-H318 WeakPolarHBondContact CA-O 3.24Å; G186-H318 CarbonylContact O-C 3.58Å; G186-H318 WeakPolarHBondContact O-CB 3.48Å; M316-H318 PolarHBondContact O-N 2.87Å; M316-H318 VanDerWaalsContact O-N 3.09Å; H318-H320 PolarHBondContact O-N 3.07Å |
| 319 | V | 95.3 | Very high | 94.1 | Very high | 13 Ų | 13 | 62.1 Ų | 62.1 | 8% | 0.079 | 31% | 0.311 | C | S | . | . | trans | -87.3 | 104.5 | -177.5 | 174.5 | 0 | 0 | 0 | 0 | 109.5 | I196 V198 I238 M240 M316 V321 | I196-V319 HydrophobicContact CG2-CG2 4.38Å; V198-V319 HydrophobicContact CG2-CG1 3.98Å; I238-V319 HydrophobicContact CD1-CG1 4.04Å; I238-V319 HydrophobicContact CD1-CG2 3.96Å; M240-V319 HydrophobicContact CE-CG1 3.43Å; M240-V319 VanDerWaalsContact CE-CG1 3.43Å; M316-V319 HydrophobicContact CE-CB 4.06Å; M316-V319 HydrophobicContact CE-CG1 3.68Å; M316-V319 PolarHBondContact O-N 3.38Å; M316-V319 HydrophobicContact SD-CB 3.91Å; M316-V319 HydrophobicContact SD-CG1 3.82Å; M316-V319 HydrophobicContact SD-CG2 4.11Å; V319-V321 PolarHBondContact O-N 3.06Å | ||
| 320 | H | 93.8 | Very high | 94 | Very high | 98 Ų | 98 | 65.6 Ų | 65.6 | 45% | 0.454 | 33% | 0.327 | S | S | . | . | trans | -74.5 | 106.1 | 175.5 | -177.5 | 62.3 | 0 | 0 | 0 | 111.3 | R181 H318 | R181-H320 PolarHBondContact NH2-NE2 3.15Å; H318-H320 PolarHBondContact O-N 3.07Å | ||
| 321 | V | 95.7 | Very high | 94 | Very high | 22 Ų | 22 | 72 Ų | 72 | 13% | 0.133 | 36% | 0.357 | C | S | . | . | trans | -81.9 | 128.5 | 171.9 | -173.6 | 0 | 0 | 0 | 0 | 109.9 | M240 L307 M316 V319 V325 M326 | M240-V321 HydrophobicContact CE-CB 4.46Å; M240-V321 HydrophobicContact CE-CG2 3.88Å; M240-V321 HydrophobicContact SD-CG1 4.33Å; L307-V321 HydrophobicContact CD1-CG1 4.08Å; L307-V321 HydrophobicContact CD2-CG1 4.35Å; M316-V321 HydrophobicContact CE-CG2 3.73Å; V319-V321 PolarHBondContact O-N 3.06Å; V321-V325 HydrophobicContact CG1-CB 3.94Å; V321-V325 HydrophobicContact CG1-CG1 3.86Å; V321-M326 HydrophobicContact CB-CG 4.16Å; V321-M326 HydrophobicContact CB-SD 4.45Å; V321-M326 HydrophobicContact CG1-CG 3.63Å | ||
| 322 | P | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | trans | -60.1 | 139 | 172 | -26.7 | 36 | 0 | 0 | 0 | 113.1 | S200 C202 Y203 M240 C324 V325 M326 | S200-P322 WeakPolarHBondContact OG-CG 3.47Å; C202-P322 VanDerWaalsContact SG-CB 3.57Å; C202-P322 VanDerWaalsContact SG-CG 3.58Å; Y203-P322 HydrophobicContact CE2-CB 4.18Å; Y203-P322 HydrophobicContact CE2-CG 3.85Å; Y203-P322 WeakPolarHBondContact OH-CB 3.34Å; M240-P322 WeakPolarHBondContact SD-CD 3.17Å; M240-P322 HydrophobicContact SD-CG 4.42Å; P322-C324 VanDerWaalsContact C-N 3.3Å; P322-C324 PolarHBondContact O-N 2.96Å; P322-V325 HydrophobicContact CB-CB 4.31Å; P322-V325 HydrophobicContact CB-CG2 3.88Å; P322-V325 HydrophobicContact CG-CG2 4.03Å; P322-V325 WeakPolarHBondContact O-CA 3.46Å; P322-V325 WeakPolarHBondContact O-CB 3.38Å; P322-V325 PolarHBondContact O-N 2.86Å; P322-M326 PolarHBondContact O-N 2.94Å; P322-M326 VanDerWaalsContact O-N 3.15Å | ||
| 323 | E | 94.3 | Very high | 93.8 | Very high | 109 Ų | 109 | 69.1 Ų | 69.1 | 51% | 0.509 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -48.7 | -46.9 | 176.2 | -177.1 | 58.2 | -145 | 0 | 0 | 113.3 | V325 M326 Q327 | E323-V325 PolarHBondContact O-N 2.88Å; E323-M326 WeakPolarHBondContact O-CB 3.35Å; E323-M326 PolarHBondContact O-N 3.32Å; E323-M326 VanDerWaalsContact O-N 3.11Å; E323-M326 WeakPolarHBondContact OE2-CE 3.47Å; E323-Q327 WeakPolarHBondContact O-CG 3.44Å; E323-Q327 PolarHBondContact O-N 2.76Å; E323-Q327 PolarHBondContact OE1-NE2 3.4Å |
| 324 | C | 93.8 | Very high | 94 | Very high | 41 Ų | 41 | 72 Ų | 72 | 28% | 0.277 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.1 | -25.3 | 178.1 | 60 | 0 | 0 | 0 | 0 | 113.8 | C202 A243 P322 Y328 | C202-C324 VanDerWaalsContact CB-SG 3.5Å; A243-C324 HydrophobicContact CB-CB 3.91Å; A243-C324 VanDerWaalsContact CB-O 3.24Å; A243-C324 WeakPolarHBondContact CB-O 3.42Å; P322-C324 VanDerWaalsContact C-N 3.3Å; P322-C324 PolarHBondContact O-N 2.96Å; C324-Y328 VanDerWaalsContact O-CB 3.27Å; C324-Y328 WeakPolarHBondContact O-CB 3.5Å; C324-Y328 PolarHBondContact O-N 3.24Å; C324-Y328 VanDerWaalsContact O-N 3.15Å |
| 325 | V | 94.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -75 | -38.9 | 173.7 | 176.2 | 0 | 0 | 0 | 0 | 110.1 | M240 G242 L307 V321 P322 E323 E329 | M240-V325 HydrophobicContact CB-CG2 4.48Å; G242-V325 WeakPolarHBondContact O-CG2 3.16Å; L307-V325 HydrophobicContact CD2-CG1 4.33Å; V321-V325 HydrophobicContact CG1-CB 3.94Å; V321-V325 HydrophobicContact CG1-CG1 3.86Å; P322-V325 HydrophobicContact CB-CB 4.31Å; P322-V325 HydrophobicContact CB-CG2 3.88Å; P322-V325 HydrophobicContact CG-CG2 4.03Å; P322-V325 WeakPolarHBondContact O-CA 3.46Å; P322-V325 WeakPolarHBondContact O-CB 3.38Å; P322-V325 PolarHBondContact O-N 2.86Å; E323-V325 PolarHBondContact O-N 2.88Å; V325-E329 PolarHBondContact O-N 2.95Å; V325-E329 VanDerWaalsContact O-N 3.08Å |
| 326 | M | 95.1 | Very high | 94.1 | Very high | 82 Ų | 82 | 78.6 Ų | 78.6 | 40% | 0.404 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 175.1 | -59.1 | -166.4 | -65.3 | 0 | 0 | 111.6 | V321 P322 E323 Y328 E329 E330 | V321-M326 HydrophobicContact CB-CG 4.16Å; V321-M326 HydrophobicContact CB-SD 4.45Å; V321-M326 HydrophobicContact CG1-CG 3.63Å; P322-M326 PolarHBondContact O-N 2.94Å; P322-M326 VanDerWaalsContact O-N 3.15Å; E323-M326 WeakPolarHBondContact O-CB 3.35Å; E323-M326 PolarHBondContact O-N 3.32Å; E323-M326 VanDerWaalsContact O-N 3.11Å; E323-M326 WeakPolarHBondContact OE2-CE 3.47Å; M326-Y328 PolarHBondContact O-N 3.24Å; M326-E329 PolarHBondContact O-N 3.25Å; M326-E329 VanDerWaalsContact O-N 3.14Å; M326-E330 PolarHBondContact O-N 2.96Å |
| 327 | Q | 94.9 | Very high | 94.2 | Very high | 94 Ų | 94 | 83.3 Ų | 83.3 | 44% | 0.439 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 176.6 | -69 | 172 | 0.6 | 0 | 0 | 111.9 | E323 E329 E330 E331 | E323-Q327 WeakPolarHBondContact O-CG 3.44Å; E323-Q327 PolarHBondContact O-N 2.76Å; E323-Q327 PolarHBondContact OE1-NE2 3.4Å; Q327-E329 VanDerWaalsContact C-N 3.26Å; Q327-E329 PolarHBondContact O-N 3.29Å; Q327-E330 PolarHBondContact O-N 3.21Å; Q327-E331 WeakPolarHBondContact O-CG 2.98Å; Q327-E331 PolarHBondContact O-N 3.06Å |
| 328 | Y | 94.3 | Very high | 94.5 | Very high | 74 Ų | 74 | 79.7 Ų | 79.7 | 29% | 0.29 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.3 | -34.7 | 175.3 | 173.7 | -93.8 | 0 | 0 | 0 | 113.2 | H277 C324 M326 R332 | H277-Y328 HydrophobicContact CB-CD1 4.41Å; H277-Y328 HydrophobicContact CB-CE1 3.73Å; H277-Y328 AromaticContact CG-CE1 3.8Å; C324-Y328 VanDerWaalsContact O-CB 3.27Å; C324-Y328 WeakPolarHBondContact O-CB 3.5Å; C324-Y328 PolarHBondContact O-N 3.24Å; C324-Y328 VanDerWaalsContact O-N 3.15Å; M326-Y328 PolarHBondContact O-N 3.24Å; Y328-R332 HydrophobicContact CE1-CG 4.48Å; Y328-R332 WeakPolarHBondContact O-CB 3.31Å; Y328-R332 VanDerWaalsContact O-CG 3.28Å; Y328-R332 WeakPolarHBondContact O-CG 3.33Å; Y328-R332 PolarHBondContact O-N 2.93Å |
| 329 | E | 94.7 | Very high | 94.6 | Very high | 12 Ų | 12 | 79.9 Ų | 79.9 | 6% | 0.056 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -72.8 | -43.2 | 175.4 | -176.8 | 71.1 | 148.6 | 0 | 0 | 111.8 | H277 S306 L307 V325 M326 Q327 E331 R332 I333 | H277-E329 VanDerWaalsContact CE1-CD 3.47Å; H277-E329 IonicContact CE1-OE1 3.47Å; H277-E329 IonicContact CE1-OE2 3.83Å; H277-E329 PolarHBondContact CE1-OE2 3.29Å; H277-E329 IonicContact ND1-OE2 2.83Å; S306-E329 WeakPolarHBondContact CA-OE1 3.43Å; S306-E329 WeakPolarHBondContact CB-OE1 3.46Å; L307-E329 HydrophobicContact CD1-CB 4.31Å; L307-E329 HydrophobicContact CD1-CG 4.33Å; L307-E329 HydrophobicContact CG-CG 4.29Å; L307-E329 PolarHBondContact N-OE1 3.2Å; V325-E329 PolarHBondContact O-N 2.95Å; V325-E329 VanDerWaalsContact O-N 3.08Å; M326-E329 PolarHBondContact O-N 3.25Å; M326-E329 VanDerWaalsContact O-N 3.14Å; Q327-E329 VanDerWaalsContact C-N 3.26Å; Q327-E329 PolarHBondContact O-N 3.29Å; E329-E331 PolarHBondContact O-N 2.91Å; E329-R332 PolarHBondContact O-N 2.88Å; E329-R332 VanDerWaalsContact O-N 3.16Å; E329-R332 IonicContact OE2-NH1 3.52Å; E329-R332 PolarHBondContact OE2-NH1 2.82Å; E329-I333 HydrophobicContact CG-CD1 3.89Å; E329-I333 HydrophobicContact CG-CG1 4.44Å; E329-I333 WeakPolarHBondContact O-CG1 3.44Å; E329-I333 PolarHBondContact O-N 3.33Å |
| 330 | E | 95.1 | Very high | 94.6 | Very high | 140 Ų | 140 | 83.9 Ų | 83.9 | 65% | 0.654 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -58.6 | -47.2 | 175.3 | -175.4 | 176.3 | -171.5 | 0 | 0 | 111.7 | M326 Q327 R332 I333 K334 | M326-E330 PolarHBondContact O-N 2.96Å; Q327-E330 PolarHBondContact O-N 3.21Å; E330-R332 VanDerWaalsContact C-N 3.29Å; E330-R332 PolarHBondContact O-N 3.44Å; E330-I333 PolarHBondContact O-N 3.11Å; E330-K334 WeakPolarHBondContact O-CB 3.49Å; E330-K334 PolarHBondContact O-N 3.43Å |
| 331 | E | 94.6 | Very high | 94.6 | Very high | 133 Ų | 133 | 82.8 Ų | 82.8 | 62% | 0.621 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -56.7 | -41.5 | 174.8 | -74.3 | 178.9 | 175.8 | 0 | 0 | 112 | Q327 E329 A335 | Q327-E331 WeakPolarHBondContact O-CG 2.98Å; Q327-E331 PolarHBondContact O-N 3.06Å; E329-E331 PolarHBondContact O-N 2.91Å; E331-A335 WeakPolarHBondContact O-CB 3.39Å; E331-A335 PolarHBondContact O-N 3.19Å |
| 332 | R | 92.7 | Very high | 94.6 | Very high | 87 Ų | 87 | 87 Ų | 87 | 33% | 0.328 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -71.4 | -38.6 | 178.4 | -76.3 | 177.6 | 68.5 | -118.9 | 5.1 | 112.9 | H277 H305 Y328 E329 E330 R336 | H277-R332 PolarHBondContact ND1-NH1 2.87Å; H305-R332 PolarHBondContact O-NH1 3.43Å; H305-R332 PolarHBondContact O-NH2 3.28Å; Y328-R332 HydrophobicContact CE1-CG 4.48Å; Y328-R332 WeakPolarHBondContact O-CB 3.31Å; Y328-R332 VanDerWaalsContact O-CG 3.28Å; Y328-R332 WeakPolarHBondContact O-CG 3.33Å; Y328-R332 PolarHBondContact O-N 2.93Å; E329-R332 PolarHBondContact O-N 2.88Å; E329-R332 VanDerWaalsContact O-N 3.16Å; E329-R332 IonicContact OE2-NH1 3.52Å; E329-R332 PolarHBondContact OE2-NH1 2.82Å; E330-R332 VanDerWaalsContact C-N 3.29Å; E330-R332 PolarHBondContact O-N 3.44Å; R332-R336 VanDerWaalsContact O-CB 3.27Å; R332-R336 WeakPolarHBondContact O-CB 3.29Å; R332-R336 PolarHBondContact O-N 3.06Å |
| 333 | I | 94.4 | Very high | 94.5 | Very high | 77 Ų | 77 | 92 Ų | 92 | 40% | 0.395 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 174 | -71 | 169 | 0 | 0 | 0 | 109.7 | E329 E330 R336 R337 | E329-I333 HydrophobicContact CG-CD1 3.89Å; E329-I333 HydrophobicContact CG-CG1 4.44Å; E329-I333 WeakPolarHBondContact O-CG1 3.44Å; E329-I333 PolarHBondContact O-N 3.33Å; E330-I333 PolarHBondContact O-N 3.11Å; I333-R336 PolarHBondContact O-N 2.8Å; I333-R337 WeakPolarHBondContact O-CB 3.4Å; I333-R337 PolarHBondContact O-N 3.11Å |
| 334 | K | 95.8 | Very high | 94.5 | Very high | 125 Ų | 125 | 94 Ų | 94 | 54% | 0.543 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.5 | -54.2 | 175.9 | -178.4 | -178.9 | 172.7 | -174.4 | 0 | 111.5 | E330 R336 R337 E338 | E330-K334 WeakPolarHBondContact O-CB 3.49Å; E330-K334 PolarHBondContact O-N 3.43Å; K334-R336 VanDerWaalsContact C-N 3.25Å; K334-R336 PolarHBondContact O-N 2.9Å; K334-R337 WeakPolarHBondContact O-CB 3.32Å; K334-R337 PolarHBondContact O-N 3.16Å; K334-E338 WeakPolarHBondContact CE-OE1 3.46Å; K334-E338 WeakPolarHBondContact CG-OE1 3.42Å; K334-E338 WeakPolarHBondContact O-CG 3.47Å; K334-E338 PolarHBondContact O-N 3.24Å |
| 335 | A | 94.2 | Very high | 94.5 | Very high | 32 Ų | 32 | 98.5 Ų | 98.5 | 26% | 0.264 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.1 | -30.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | E331 R339 | E331-A335 WeakPolarHBondContact O-CB 3.39Å; E331-A335 PolarHBondContact O-N 3.19Å; A335-R339 WeakPolarHBondContact O-CG 3.42Å; A335-R339 PolarHBondContact O-N 3.31Å; A335-R339 PolarHBondContact O-NH1 3.11Å |
| 336 | R | 93.1 | Very high | 94.3 | Very high | 166 Ų | 166 | 103.9 Ų | 103.9 | 63% | 0.626 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -70.4 | -42.1 | 172.6 | -172 | -179.3 | -179 | -179.6 | 0.8 | 111.5 | R332 I333 K334 R339 M340 | R332-R336 VanDerWaalsContact O-CB 3.27Å; R332-R336 WeakPolarHBondContact O-CB 3.29Å; R332-R336 PolarHBondContact O-N 3.06Å; I333-R336 PolarHBondContact O-N 2.8Å; K334-R336 VanDerWaalsContact C-N 3.25Å; K334-R336 PolarHBondContact O-N 2.9Å; R336-R339 PolarHBondContact O-N 3.06Å; R336-M340 HydrophobicContact CG-CE 4.17Å; R336-M340 HydrophobicContact CG-SD 4.46Å; R336-M340 WeakPolarHBondContact O-CG 3.2Å; R336-M340 PolarHBondContact O-N 2.9Å; R336-M340 VanDerWaalsContact O-N 3.12Å |
| 337 | R | 95 | Very high | 94 | Very high | 149 Ų | 149 | 106.1 Ų | 106.1 | 56% | 0.562 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.2 | -47.8 | 176 | -172.7 | -177.5 | -62.2 | 174.1 | 2.7 | 111.3 | I333 K334 R339 M340 E341 | I333-R337 WeakPolarHBondContact O-CB 3.4Å; I333-R337 PolarHBondContact O-N 3.11Å; K334-R337 WeakPolarHBondContact O-CB 3.32Å; K334-R337 PolarHBondContact O-N 3.16Å; R337-R339 PolarHBondContact O-N 2.87Å; R337-M340 PolarHBondContact O-N 3.34Å; R337-E341 PolarHBondContact O-N 3.05Å |
| 338 | E | 95.6 | Very high | 93.8 | Very high | 91 Ų | 91 | 106 Ų | 106 | 43% | 0.425 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.2 | -42.8 | 178.8 | -71.4 | 169.7 | 175.2 | 0 | 0 | 112.1 | K334 E341 Q342 | K334-E338 WeakPolarHBondContact CE-OE1 3.46Å; K334-E338 WeakPolarHBondContact CG-OE1 3.42Å; K334-E338 WeakPolarHBondContact O-CG 3.47Å; K334-E338 PolarHBondContact O-N 3.24Å; E338-E341 PolarHBondContact O-N 2.95Å; E338-Q342 VanDerWaalsContact O-CG 3.31Å; E338-Q342 WeakPolarHBondContact O-CG 3.33Å; E338-Q342 PolarHBondContact O-N 3.21Å |
| 339 | R | 94.7 | Very high | 93.2 | Very high | 133 Ų | 133 | 109.5 Ų | 109.5 | 50% | 0.502 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.9 | -47 | 173.5 | -75.9 | -168.7 | -63.3 | -85.4 | -0.1 | 112.8 | A335 R336 R337 E341 Q342 E343 | A335-R339 WeakPolarHBondContact O-CG 3.42Å; A335-R339 PolarHBondContact O-N 3.31Å; A335-R339 PolarHBondContact O-NH1 3.11Å; R336-R339 PolarHBondContact O-N 3.06Å; R337-R339 PolarHBondContact O-N 2.87Å; R339-E341 VanDerWaalsContact C-N 3.28Å; R339-E341 PolarHBondContact O-N 3.44Å; R339-Q342 PolarHBondContact O-N 2.82Å; R339-Q342 VanDerWaalsContact O-N 3.15Å; R339-E343 WeakPolarHBondContact O-CG 3.47Å; R339-E343 PolarHBondContact O-N 3.5Å |
| 340 | M | 94.4 | Very high | 92.3 | Very high | 97 Ų | 97 | 117 Ų | 117 | 48% | 0.478 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.8 | -34.8 | 178.2 | -67.7 | -177.9 | -57.3 | 0 | 0 | 112.2 | R336 R337 R344 | R336-M340 HydrophobicContact CG-CE 4.17Å; R336-M340 HydrophobicContact CG-SD 4.46Å; R336-M340 WeakPolarHBondContact O-CG 3.2Å; R336-M340 PolarHBondContact O-N 2.9Å; R336-M340 VanDerWaalsContact O-N 3.12Å; R337-M340 PolarHBondContact O-N 3.34Å; M340-R344 WeakPolarHBondContact O-CB 3.15Å; M340-R344 PolarHBondContact O-N 3.48Å |
| 341 | E | 94.8 | Very high | 91.2 | Very high | 74 Ų | 74 | 114.4 Ų | 114.4 | 35% | 0.346 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.8 | -40.3 | 172.8 | -75.5 | -173.1 | -146.4 | 0 | 0 | 112.8 | R337 E338 R339 R344 R345 | R337-E341 PolarHBondContact O-N 3.05Å; E338-E341 PolarHBondContact O-N 2.95Å; R339-E341 VanDerWaalsContact C-N 3.28Å; R339-E341 PolarHBondContact O-N 3.44Å; E341-R344 PolarHBondContact O-N 2.96Å; E341-R345 VanDerWaalsContact O-CG 3.24Å; E341-R345 WeakPolarHBondContact O-CG 3.42Å; E341-R345 PolarHBondContact O-N 3.38Å; E341-R345 IonicContact OE2-CZ 3.99Å; E341-R345 IonicContact OE2-NH2 2.94Å; E341-R345 PolarHBondContact OE2-NH2 2.91Å |
| 342 | Q | 93.8 | Very high | 89.8 | Confident | 112 Ų | 112 | 113 Ų | 113 | 52% | 0.523 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 175 | -73.4 | 172.7 | 0.8 | 0 | 0 | 111.3 | E338 R339 R344 R345 Q346 | E338-Q342 VanDerWaalsContact O-CG 3.31Å; E338-Q342 WeakPolarHBondContact O-CG 3.33Å; E338-Q342 PolarHBondContact O-N 3.21Å; R339-Q342 PolarHBondContact O-N 2.82Å; R339-Q342 VanDerWaalsContact O-N 3.15Å; Q342-R344 VanDerWaalsContact C-N 3.34Å; Q342-R344 PolarHBondContact O-N 2.98Å; Q342-R345 PolarHBondContact O-N 3.43Å; Q342-Q346 WeakPolarHBondContact O-CG 3.45Å; Q342-Q346 PolarHBondContact O-N 3.13Å |
| 343 | E | 94.1 | Very high | 88.3 | Confident | 105 Ų | 105 | 114.2 Ų | 114.2 | 49% | 0.491 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.6 | -45.4 | 175 | -72.8 | 166.8 | -169.5 | 0 | 0 | 111.3 | R339 Q346 Q347 | R339-E343 WeakPolarHBondContact O-CG 3.47Å; R339-E343 PolarHBondContact O-N 3.5Å; E343-Q346 PolarHBondContact O-N 3.08Å; E343-Q347 WeakPolarHBondContact O-CG 3.42Å; E343-Q347 PolarHBondContact O-N 3.27Å |
| 344 | R | 94.3 | Very high | 86.3 | Confident | 151 Ų | 151 | 119.5 Ų | 119.5 | 57% | 0.57 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64 | -43.2 | 177.6 | -153.7 | -174.2 | 82 | -151.2 | -0.2 | 112.2 | M340 E341 Q342 Q346 Q347 E348 | M340-R344 WeakPolarHBondContact O-CB 3.15Å; M340-R344 PolarHBondContact O-N 3.48Å; E341-R344 PolarHBondContact O-N 2.96Å; Q342-R344 VanDerWaalsContact C-N 3.34Å; Q342-R344 PolarHBondContact O-N 2.98Å; R344-Q346 VanDerWaalsContact C-N 3.32Å; R344-Q346 PolarHBondContact O-N 2.93Å; R344-Q347 PolarHBondContact O-N 3.19Å; R344-E348 IonicContact CZ-OE1 3.12Å; R344-E348 IonicContact NE-OE1 3.68Å; R344-E348 PolarHBondContact NE-OE1 3.44Å; R344-E348 IonicContact NH2-OE1 3.7Å; R344-E348 PolarHBondContact NH2-OE1 3.41Å; R344-E348 WeakPolarHBondContact O-CB 3.3Å; R344-E348 VanDerWaalsContact O-CG 3.29Å; R344-E348 WeakPolarHBondContact O-CG 3.24Å; R344-E348 PolarHBondContact O-N 3.25Å |
| 345 | R | 93.4 | Very high | 84.4 | Confident | 135 Ų | 135 | 116.1 Ų | 116.1 | 51% | 0.509 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.9 | -36.4 | 175.9 | -69.7 | 172.7 | -158.5 | -163.7 | 9.6 | 112.2 | E341 Q342 Q349 | E341-R345 VanDerWaalsContact O-CG 3.24Å; E341-R345 WeakPolarHBondContact O-CG 3.42Å; E341-R345 PolarHBondContact O-N 3.38Å; E341-R345 IonicContact OE2-CZ 3.99Å; E341-R345 IonicContact OE2-NH2 2.94Å; E341-R345 PolarHBondContact OE2-NH2 2.91Å; Q342-R345 PolarHBondContact O-N 3.43Å; R345-Q349 WeakPolarHBondContact O-CB 3.42Å; R345-Q349 VanDerWaalsContact O-CG 3.29Å; R345-Q349 WeakPolarHBondContact O-CG 3.13Å; R345-Q349 PolarHBondContact O-N 3.36Å |
| 346 | Q | 90.6 | Very high | 82.4 | Confident | 112 Ų | 112 | 120.5 Ų | 120.5 | 52% | 0.523 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.9 | -41.7 | 175.4 | -71.7 | 173.7 | 26.4 | 0 | 0 | 111.9 | Q342 E343 R344 Q349 Q350 | Q342-Q346 WeakPolarHBondContact O-CG 3.45Å; Q342-Q346 PolarHBondContact O-N 3.13Å; E343-Q346 PolarHBondContact O-N 3.08Å; R344-Q346 VanDerWaalsContact C-N 3.32Å; R344-Q346 PolarHBondContact O-N 2.93Å; Q346-Q349 PolarHBondContact O-N 3.44Å; Q346-Q350 WeakPolarHBondContact O-CG 3.28Å; Q346-Q350 PolarHBondContact O-N 3.45Å |
| 347 | Q | 90.4 | Very high | 80.4 | Confident | 130 Ų | 130 | 120.2 Ų | 120.2 | 61% | 0.607 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.8 | -43.7 | 174.2 | -69.9 | 174.5 | 14.4 | 0 | 0 | 111.9 | E343 R344 Q349 Q350 S351 | E343-Q347 WeakPolarHBondContact O-CG 3.42Å; E343-Q347 PolarHBondContact O-N 3.27Å; R344-Q347 PolarHBondContact O-N 3.19Å; Q347-Q349 VanDerWaalsContact C-N 3.32Å; Q347-Q349 PolarHBondContact O-N 2.91Å; Q347-Q350 PolarHBondContact O-N 3.29Å; Q347-S351 VanDerWaalsContact O-CB 3.32Å; Q347-S351 WeakPolarHBondContact O-CB 3.37Å; Q347-S351 PolarHBondContact O-N 2.87Å; Q347-S351 PolarHBondContact O-OG 3.46Å; Q347-S351 VanDerWaalsContact O-OG 3.14Å |
| 348 | E | 89.1 | Confident | 78.3 | Confident | 92 Ų | 92 | 122.5 Ų | 122.5 | 43% | 0.43 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -56.2 | -45.9 | 173.5 | -74.4 | 167.3 | -161.8 | 0 | 0 | 110.6 | R344 S351 | R344-E348 IonicContact CZ-OE1 3.12Å; R344-E348 IonicContact NE-OE1 3.68Å; R344-E348 PolarHBondContact NE-OE1 3.44Å; R344-E348 IonicContact NH2-OE1 3.7Å; R344-E348 PolarHBondContact NH2-OE1 3.41Å; R344-E348 WeakPolarHBondContact O-CB 3.3Å; R344-E348 VanDerWaalsContact O-CG 3.29Å; R344-E348 WeakPolarHBondContact O-CG 3.24Å; R344-E348 PolarHBondContact O-N 3.25Å; E348-S351 PolarHBondContact O-N 3.06Å; E348-S351 PolarHBondContact O-OG 3.47Å |
| 349 | Q | 82.8 | Confident | 76 | Confident | 147 Ų | 147 | 123.2 Ų | 123.2 | 69% | 0.687 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.6 | -38.6 | 178.4 | -72.6 | 173.9 | 23.1 | 0 | 0 | 114.3 | R345 Q346 Q347 S351 | R345-Q349 WeakPolarHBondContact O-CB 3.42Å; R345-Q349 VanDerWaalsContact O-CG 3.29Å; R345-Q349 WeakPolarHBondContact O-CG 3.13Å; R345-Q349 PolarHBondContact O-N 3.36Å; Q346-Q349 PolarHBondContact O-N 3.44Å; Q347-Q349 VanDerWaalsContact C-N 3.32Å; Q347-Q349 PolarHBondContact O-N 2.91Å; Q349-S351 VanDerWaalsContact C-N 3.31Å |
| 350 | Q | 76.2 | Confident | 73.8 | Confident | 168 Ų | 168 | 122.5 Ų | 122.5 | 79% | 0.785 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72.5 | -23.4 | 176.9 | -75.3 | -178 | -2.5 | 0 | 0 | 113.3 | Q346 Q347 | Q346-Q350 WeakPolarHBondContact O-CG 3.28Å; Q346-Q350 PolarHBondContact O-N 3.45Å; Q347-Q350 PolarHBondContact O-N 3.29Å |
| 351 | S | 70.5 | Confident | 71.6 | Confident | 87 Ų | 87 | 124.1 Ų | 124.1 | 61% | 0.608 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -8.1 | 179.9 | 69.3 | 0 | 0 | 0 | 0 | 114.7 | Q347 E348 Q349 P353 | Q347-S351 VanDerWaalsContact O-CB 3.32Å; Q347-S351 WeakPolarHBondContact O-CB 3.37Å; Q347-S351 PolarHBondContact O-N 2.87Å; Q347-S351 PolarHBondContact O-OG 3.46Å; Q347-S351 VanDerWaalsContact O-OG 3.14Å; E348-S351 PolarHBondContact O-N 3.06Å; E348-S351 PolarHBondContact O-OG 3.47Å; Q349-S351 VanDerWaalsContact C-N 3.31Å; S351-P353 VanDerWaalsContact O-CD 3.3Å; S351-P353 WeakPolarHBondContact O-CD 3.34Å |
| 352 | V | 66.6 | Low | 69.4 | Low | 103 Ų | 103 | 131.2 Ų | 131.2 | 62% | 0.624 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -72.5 | 116.7 | 173.6 | -176 | 0 | 0 | 0 | 0 | 109.4 | H354 | V352-H354 PolarHBondContact O-N 2.83Š|
| 353 | P | 59.9 | Low | 67.4 | Low | 112 Ų | 112 | 131.4 Ų | 131.4 | 73% | 0.727 | 69% | 0.687 | S | S | * | * | trans | -64 | 136.7 | -179.5 | -19.8 | 32.3 | 0 | 0 | 0 | 111.1 | S351 G355 | S351-P353 VanDerWaalsContact O-CD 3.3Å; S351-P353 WeakPolarHBondContact O-CD 3.34Å; P353-G355 PolarHBondContact O-N 3.34Å | ||
| 354 | H | 53.6 | Low | 65.4 | Low | 189 Ų | 189 | 136.2 Ų | 136.2 | 88% | 0.875 | 71% | 0.706 | S | S | * | * | trans | -56.4 | 110.5 | 162 | -95.7 | 23.9 | 0 | 0 | 0 | 108.8 | V352 | V352-H354 PolarHBondContact O-N 2.83Š| ||
| 355 | G | 55.8 | Low | 63.2 | Low | 54 Ų | 54 | 134.4 Ų | 134.4 | 56% | 0.557 | 72% | 0.717 | S | S | * | * | trans | -56.6 | 152.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | P353 I357 | P353-G355 PolarHBondContact O-N 3.34Å; G355-I357 PolarHBondContact O-N 3.13Å; G355-I357 VanDerWaalsContact O-N 3.15Å | ||
| 356 | P | 50.8 | Low | 61.4 | Low | 124 Ų | 124 | 136.5 Ų | 136.5 | 81% | 0.805 | 74% | 0.735 | S | S | * | * | trans | -56.9 | 123.4 | -169.3 | 22.4 | -33.6 | 0 | 0 | 0 | 111.2 | K358 | P356-K358 PolarHBondContact O-N 2.87Š| ||
| 357 | I | 53.1 | Low | 59.6 | Low | 159 Ų | 159 | 138.6 Ų | 138.6 | 82% | 0.815 | 75% | 0.748 | S | S | * | * | trans | -55.3 | 108 | 176 | -62.3 | 170.2 | 0 | 0 | 0 | 107.6 | G355 S359 | G355-I357 PolarHBondContact O-N 3.13Å; G355-I357 VanDerWaalsContact O-N 3.15Å; I357-S359 PolarHBondContact O-N 3.47Å | ||
| 358 | K | 49.8 | Very low | 57.6 | Low | 198 Ų | 198 | 138.2 Ų | 138.2 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | trans | -63.7 | 109.2 | 175 | -72.2 | -177.5 | 178.7 | 177.3 | 0 | 108 | P356 S360 | P356-K358 PolarHBondContact O-N 2.87Å; K358-S360 PolarHBondContact O-N 3.35Å; K358-S360 VanDerWaalsContact O-N 3.1Å | ||
| 359 | S | 46.8 | Very low | 55.7 | Low | 105 Ų | 105 | 142.5 Ų | 142.5 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | -60.3 | 114.7 | 176 | 42.6 | 0 | 0 | 0 | 0 | 109.6 | I357 V361 | I357-S359 PolarHBondContact O-N 3.47Å; S359-V361 PolarHBondContact O-N 3.17Å | ||
| 360 | S | 48.1 | Very low | 53.9 | Low | 118 Ų | 118 | 148.2 Ų | 148.2 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -64.2 | 107.6 | 177.3 | 179.1 | 0 | 0 | 0 | 0 | 109.7 | K358 R362 | K358-S360 PolarHBondContact O-N 3.35Å; K358-S360 VanDerWaalsContact O-N 3.1Å; S360-R362 PolarHBondContact O-N 3.37Å | ||
| 361 | V | 50.3 | Low | 52.8 | Low | 132 Ų | 132 | 147.3 Ų | 147.3 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | -68.5 | 104.4 | 174 | 177.9 | 0 | 0 | 0 | 0 | 108.1 | S359 | S359-V361 PolarHBondContact O-N 3.17Š| ||
| 362 | R | 48.6 | Very low | 51.9 | Low | 223 Ų | 223 | 150.4 Ų | 150.4 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -62 | 126.2 | 178.1 | -172 | -176 | -93.5 | -168.3 | -6 | 109.7 | S360 | S360-R362 PolarHBondContact O-N 3.37Š|
| 363 | P | 50.4 | Low | 51.1 | Low | 115 Ų | 115 | 153.1 Ų | 153.1 | 75% | 0.747 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 138.3 | 175.2 | -20.8 | 32.4 | 0 | 0 | 0 | 111.2 | S365 | P363-S365 PolarHBondContact O-N 3.02Š|
| 364 | K | 52.6 | Low | 50.6 | Low | 206 Ų | 206 | 155.5 Ų | 155.5 | 90% | 0.896 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 117.5 | 170.1 | -69.3 | -179.9 | 177.8 | 179.2 | 0 | 109 | M366 | K364-M366 PolarHBondContact O-N 3.03Š|
| 365 | S | 48.7 | Very low | 50.4 | Low | 113 Ų | 113 | 153.4 Ų | 153.4 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 119 | 171.1 | 53.2 | 0 | 0 | 0 | 0 | 110.7 | P363 | P363-S365 PolarHBondContact O-N 3.02Š|
| 366 | M | 55.5 | Low | 50 | Low | 180 Ų | 180 | 160 Ų | 160 | 89% | 0.887 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 117.8 | 163.5 | -84 | 179.5 | 144.9 | 0 | 0 | 109.7 | K364 | K364-M366 PolarHBondContact O-N 3.03Š|
| 367 | I | 52.2 | Low | 50 | Low | 155 Ų | 155 | 162.6 Ų | 162.6 | 80% | 0.795 | 85% | 0.845 | S | S | * | * | trans | -147.9 | 95.3 | 162.4 | -56.3 | -179.9 | 0 | 0 | 0 | 102.8 | ||||
| 368 | V | 49.4 | Very low | 49.7 | Very low | 123 Ų | 123 | 162.8 Ų | 162.8 | 75% | 0.745 | 85% | 0.848 | S | S | * | * | 62.7 | 109.8 | 68.3 | -175.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 369 | E | 48.2 | Very low | 49.7 | Very low | 182 Ų | 182 | 159.9 Ų | 159.9 | 85% | 0.85 | 85% | 0.847 | S | S | * | * | trans | -65.1 | 133.4 | 169.9 | -67 | 169.1 | 92.2 | 0 | 0 | 111.4 | ||||
| 370 | Q | 46.1 | Very low | 50 | Low | 267 Ų | 267 | 164.9 Ų | 164.9 | 100% | 1.248 | 86% | 0.857 | S | S | * | * | -172.8 | 0 | 112.8 | -99.7 | 176 | 12.4 | 0 | 0 | 111.4 |
Retrieved 370 of 370 residues in 321.9 ms
(Link to these results)