| 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 | 35.5 | Very low | 30.2 | Very low | 234 Ų | 234 | 158.3 Ų | 158.3 | 100% | 1.153 | 84% | 0.838 | S | S | * | * | 0 | 122.2 | 0 | -74.6 | 155 | 63.5 | 0 | 0 | 106.2 | |||||
| 2 | V | 26.8 | Very low | 30.4 | Very low | 139 Ų | 139 | 157.6 Ų | 157.6 | 84% | 0.842 | 84% | 0.835 | S | S | * | * | trans | -111.3 | 118.1 | 175.1 | 176.6 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 3 | E | 31.4 | Very low | 30.9 | Very low | 187 Ų | 187 | 162.1 Ų | 162.1 | 87% | 0.874 | 83% | 0.834 | S | S | * | * | trans | -92.2 | 138.5 | 169.5 | -70.2 | -167.4 | 134.9 | 0 | 0 | 109.3 | ||||
| 4 | Q | 30.7 | Very low | 30.9 | Very low | 185 Ų | 185 | 163.8 Ų | 163.8 | 86% | 0.864 | 84% | 0.836 | S | S | * | * | trans | -95 | 169.1 | -179.9 | -68.5 | 178.2 | -64.6 | 0 | 0 | 110.8 | ||||
| 5 | S | 28.7 | Very low | 30.8 | Very low | 93 Ų | 93 | 165.7 Ų | 165.7 | 65% | 0.65 | 84% | 0.841 | S | S | * | * | trans | 81.8 | 114.9 | 162.7 | -158.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 6 | D | 27.7 | Very low | 31 | Very low | 165 Ų | 165 | 165.3 Ų | 165.3 | 88% | 0.882 | 84% | 0.839 | S | S | * | * | -144.7 | 145.4 | 90.2 | -96.9 | -18.9 | 0 | 0 | 0 | 114 | |||||
| 7 | R | 29.7 | Very low | 31.2 | Very low | 232 Ų | 232 | 161.8 Ų | 161.8 | 88% | 0.875 | 83% | 0.83 | S | S | * | * | trans | -117.6 | 114.6 | -169.6 | -173.8 | -178.8 | -172.3 | 179.2 | 1.7 | 107.4 | ||||
| 8 | A | 28.6 | Very low | 31.5 | Very low | 91 Ų | 91 | 159.5 Ų | 159.5 | 75% | 0.752 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 136.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 9 | P | 31 | Very low | 31.7 | Very low | 119 Ų | 119 | 157.7 Ų | 157.7 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 135.7 | -179.6 | -14.8 | 28.7 | 0 | 0 | 0 | 111.9 | ||
| 10 | L | 30.1 | Very low | 32 | Very low | 158 Ų | 158 | 156.6 Ų | 156.6 | 83% | 0.827 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 134 | 162 | -75.5 | 155.2 | 0 | 0 | 0 | 108.7 | D12 | L10-D12 PolarHBondContact O-N 3.19Š|
| 11 | L | 31.8 | Very low | 32 | Very low | 138 Ų | 138 | 155 Ų | 155 | 72% | 0.723 | 82% | 0.821 | S | S | * | * | trans | -88.7 | 76.9 | -179 | -70.2 | 164.9 | 0 | 0 | 0 | 110.4 | W13 | L11-W13 HydrophobicContact CD2-CZ2 4.38Å; L11-W13 VanDerWaalsContact CD2-NE1 3.32Å | ||
| 12 | D | 32.4 | Very low | 32.1 | Very low | 150 Ų | 150 | 150.7 Ų | 150.7 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | trans | -77.3 | 119.9 | 162.8 | -68.9 | -37.7 | 0 | 0 | 0 | 109 | L10 | L10-D12 PolarHBondContact O-N 3.19Š| ||
| 13 | W | 37.5 | Very low | 32.6 | Very low | 216 Ų | 216 | 153.6 Ų | 153.6 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -131.1 | 100 | 173.6 | -66.6 | 91.9 | 0 | 0 | 0 | 110.3 | L11 | L11-W13 HydrophobicContact CD2-CZ2 4.38Å; L11-W13 VanDerWaalsContact CD2-NE1 3.32Å | ||
| 14 | E | 30.3 | Very low | 32.6 | Very low | 186 Ų | 186 | 149.5 Ų | 149.5 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | -79.5 | 142.4 | 158.4 | -66.8 | -173.9 | 133.9 | 0 | 0 | 109.5 | I16 | E14-I16 PolarHBondContact O-N 2.81Š| ||
| 15 | E | 28.9 | Very low | 32.7 | Very low | 193 Ų | 193 | 145.5 Ų | 145.5 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -71 | 115.5 | 177.4 | -70 | -176.2 | 134.9 | 0 | 0 | 111 | ||||
| 16 | I | 34 | Very low | 32.9 | Very low | 159 Ų | 159 | 149.9 Ų | 149.9 | 82% | 0.815 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 120.3 | 168.1 | -55.6 | 176.3 | 0 | 0 | 0 | 108.3 | E14 | E14-I16 PolarHBondContact O-N 2.81Š|
| 17 | P | 35.2 | Very low | 33.3 | Very low | 106 Ų | 106 | 147.7 Ų | 147.7 | 69% | 0.688 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 150.3 | 176.4 | 28.7 | -34 | 0 | 0 | 0 | 111.5 | ||
| 18 | P | 36.6 | Very low | 33.6 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 147.8 | -175.6 | 28.3 | -35.3 | 0 | 0 | 0 | 112.5 | ||
| 19 | P | 34.6 | Very low | 33.7 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 146.4 | -179.6 | 29 | -34.6 | 0 | 0 | 0 | 113.2 | ||
| 20 | D | 38.2 | Very low | 33.8 | Very low | 135 Ų | 135 | 147.6 Ų | 147.6 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 126.1 | -178.8 | -165.6 | -18 | 0 | 0 | 0 | 111.4 | N22 | D20-N22 PolarHBondContact O-N 3.21Š|
| 21 | P | 33.1 | Very low | 34.2 | Very low | 125 Ų | 125 | 145.6 Ų | 145.6 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -72.1 | 19.5 | -169.2 | 28.4 | -37.5 | 0 | 0 | 0 | 116.6 | ||
| 22 | N | 37.3 | Very low | 34 | Very low | 143 Ų | 143 | 148.6 Ų | 148.6 | 77% | 0.765 | 82% | 0.821 | S | S | * | * | trans | -119.8 | 71.9 | -179 | -100.1 | -25.7 | 0 | 0 | 0 | 113.1 | D20 | D20-N22 PolarHBondContact O-N 3.21Š| ||
| 23 | Q | 36.8 | Very low | 33.8 | Very low | 199 Ų | 199 | 152.7 Ų | 152.7 | 93% | 0.93 | 83% | 0.825 | S | S | * | * | trans | -151.2 | 118.6 | 155.9 | -116.1 | 156.7 | 82.3 | 0 | 0 | 111.1 | ||||
| 24 | A | 32.1 | Very low | 33.4 | Very low | 101 Ų | 101 | 151 Ų | 151 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | -80.8 | 147.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 25 | A | 31.5 | Very low | 33.3 | Very low | 102 Ų | 102 | 149.9 Ų | 149.9 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | trans | -64.8 | 148.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 26 | Q | 33.4 | Very low | 33.2 | Very low | 184 Ų | 184 | 147.5 Ų | 147.5 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | trans | -117.3 | 142.7 | 158.3 | -71.6 | -165.4 | -18.9 | 0 | 0 | 109.9 | ||||
| 27 | P | 35.8 | Very low | 33 | Very low | 120 Ų | 120 | 147.1 Ų | 147.1 | 78% | 0.779 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 158.3 | -172.2 | 33.2 | -36.1 | 0 | 0 | 0 | 113.4 | ||
| 28 | P | 35.4 | Very low | 32.7 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 78% | 0.779 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 149.7 | -178.9 | 33.1 | -35.7 | 0 | 0 | 0 | 112.9 | ||
| 29 | P | 32.3 | Very low | 32.4 | Very low | 128 Ų | 128 | 145.1 Ų | 145.1 | 83% | 0.831 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 143.5 | 169.3 | 33.6 | -31.6 | 0 | 0 | 0 | 112.6 | ||
| 30 | E | 31.9 | Very low | 32.1 | Very low | 191 Ų | 191 | 145.2 Ų | 145.2 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 165.3 | 173.3 | -97.1 | -170.3 | 169.9 | 0 | 0 | 112.9 | ||
| 31 | P | 39.5 | Very low | 31.5 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 76% | 0.76 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 158.7 | -157.5 | 37.1 | -37 | 0 | 0 | 0 | 115.6 | ||
| 32 | Q | 27.7 | Very low | 31.3 | Very low | 201 Ų | 201 | 148.3 Ų | 148.3 | 94% | 0.939 | 83% | 0.827 | S | S | * | * | trans | -137.6 | 165.7 | 165.3 | -71.9 | -161.7 | -20.6 | 0 | 0 | 113 | ||||
| 33 | R | 28 | Very low | 30.8 | Very low | 236 Ų | 236 | 153.2 Ų | 153.2 | 89% | 0.891 | 84% | 0.835 | S | S | * | * | trans | -97.7 | 171.9 | -157.8 | -71 | 179.5 | 173.4 | 169.7 | -4.6 | 115.3 | ||||
| 34 | E | 29.3 | Very low | 30.3 | Very low | 179 Ų | 179 | 150.2 Ų | 150.2 | 84% | 0.836 | 83% | 0.831 | S | S | * | * | trans | -34.4 | 147.4 | 165.4 | -56.9 | 154.3 | 140.3 | 0 | 0 | 116 | ||||
| 35 | D | 27.8 | Very low | 31 | Very low | 163 Ų | 163 | 150.2 Ų | 150.2 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | -160.9 | 160.3 | 114.1 | -135 | -26 | 0 | 0 | 0 | 113.2 | |||||
| 36 | D | 27.9 | Very low | 30.9 | Very low | 144 Ų | 144 | 153.6 Ų | 153.6 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | trans | -78.4 | 157.3 | -176.7 | -87.9 | -48.4 | 0 | 0 | 0 | 114.7 | ||||
| 37 | T | 28.6 | Very low | 30.6 | Very low | 150 Ų | 150 | 149.8 Ų | 149.8 | 92% | 0.92 | 82% | 0.816 | S | S | * | * | trans | -172 | 154 | 134.1 | 14.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 38 | A | 28.3 | Very low | 30.1 | Very low | 94 Ų | 94 | 147.7 Ų | 147.7 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | trans | -130 | 171 | -166.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 39 | A | 30.4 | Very low | 29.8 | Very low | 90 Ų | 90 | 149.4 Ų | 149.4 | 74% | 0.744 | 82% | 0.824 | S | S | * | * | trans | 73.4 | 145.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 40 | T | 28.8 | Very low | 29.5 | Very low | 127 Ų | 127 | 146.3 Ų | 146.3 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | cis | -167.8 | 151.2 | -2.9 | 10 | 0 | 0 | 0 | 0 | 109 | ||||
| 41 | D | 26 | Very low | 29.2 | Very low | 154 Ų | 154 | 149.4 Ų | 149.4 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | -166.6 | 172.1 | 120.2 | -133.8 | -29.8 | 0 | 0 | 0 | 114.6 | |||||
| 42 | K | 28.9 | Very low | 28.7 | Very low | 172 Ų | 172 | 149.1 Ų | 149.1 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | trans | -111.5 | 152 | -159.8 | -57.8 | 160 | 179.6 | 167.1 | 0 | 114.5 | ||||
| 43 | R | 25.6 | Very low | 28.5 | Very low | 246 Ų | 246 | 143.3 Ų | 143.3 | 93% | 0.928 | 81% | 0.814 | S | S | * | * | 171.5 | 157 | 116.5 | -92.3 | 170 | -176.8 | -159.4 | 1.4 | 114.7 | |||||
| 44 | T | 27.8 | Very low | 28.3 | Very low | 136 Ų | 136 | 137 Ų | 137 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | -138.3 | -172.2 | -173.1 | 7.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 45 | P | 46 | Very low | 28.1 | Very low | 101 Ų | 101 | 135 Ų | 135 | 66% | 0.656 | 81% | 0.812 | S | S | * | * | cis | -138.3 | -172.8 | -22.3 | 34.8 | -13.4 | 0 | 0 | 0 | 114.8 | ||||
| 46 | M | 28.8 | Very low | 28 | Very low | 173 Ų | 173 | 133.7 Ų | 133.7 | 85% | 0.852 | 81% | 0.811 | S | S | * | * | trans | 48.7 | 160.3 | 139.4 | -76.1 | 174.9 | 76.3 | 0 | 0 | 122.4 | ||||
| 47 | S | 28.3 | Very low | 27.8 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | cis | -175.4 | 160.8 | -14.3 | 52 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 48 | G | 25 | Very low | 27.7 | Very low | 75 Ų | 75 | 130.2 Ų | 130.2 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -171 | 143.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 49 | T | 29.1 | Very low | 27.7 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 96% | 0.957 | 81% | 0.806 | S | S | * | * | trans | -147.8 | 155.3 | -167.9 | 42.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 50 | G | 24.8 | Very low | 27.4 | Very low | 63 Ų | 63 | 133.7 Ų | 133.7 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | trans | 157.1 | 113.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 51 | W | 27.6 | Very low | 27.1 | Very low | 257 Ų | 257 | 131.9 Ų | 131.9 | 97% | 0.973 | 81% | 0.806 | S | S | * | * | 72.3 | 135.5 | 91.2 | -80.7 | -14.5 | 0 | 0 | 0 | 114.6 | |||||
| 52 | S | 27 | Very low | 27 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | cis | -161.6 | 174.5 | 0.2 | -86.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 53 | G | 24.2 | Very low | 26.8 | Very low | 79 Ų | 79 | 128.7 Ų | 128.7 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | cis | 141.2 | 123.8 | -0.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 54 | A | 23.9 | Very low | 26.6 | Very low | 105 Ų | 105 | 127.3 Ų | 127.3 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | trans | -148.6 | 153.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 55 | V | 25.4 | Very low | 26.5 | Very low | 136 Ų | 136 | 126 Ų | 126 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | -140.7 | 138.1 | -160.9 | 178.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 56 | T | 24.6 | Very low | 25.7 | Very low | 136 Ų | 136 | 126.8 Ų | 126.8 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | -170.9 | 113.1 | 145.8 | 20.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 57 | A | 24.6 | Very low | 25.5 | Very low | 92 Ų | 92 | 125 Ų | 125 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | 97.9 | 120.3 | 73.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 58 | V | 27.5 | Very low | 25.4 | Very low | 129 Ų | 129 | 130.8 Ų | 130.8 | 78% | 0.782 | 81% | 0.809 | S | S | * | * | trans | -96 | 159.9 | -177.6 | -169.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 59 | P | 27.5 | Very low | 25.3 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | -139.3 | 164.4 | 117.3 | 37 | -24.7 | 0 | 0 | 0 | 115.2 | |||||
| 60 | T | 23.7 | Very low | 25.1 | Very low | 129 Ų | 129 | 133.2 Ų | 133.2 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | -95.3 | 158.2 | -163.5 | -33.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 61 | A | 23.5 | Very low | 25.1 | Very low | 89 Ų | 89 | 136 Ų | 136 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | trans | 70.9 | 135.2 | 153.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 62 | V | 23.4 | Very low | 24.8 | Very low | 124 Ų | 124 | 128.2 Ų | 128.2 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | -170.8 | 131.2 | 103.2 | 150.4 | 0 | 0 | 0 | 0 | 109 | Y64 | V62-Y64 HydrophobicContact CG1-CD2 3.93Š| |||
| 63 | T | 24.6 | Very low | 24.6 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | -88.3 | 126.2 | 173.3 | -38.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 64 | Y | 21.8 | Very low | 24.5 | Very low | 217 Ų | 217 | 131.2 Ų | 131.2 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | -150.4 | 131.1 | 165 | -109.7 | -81.9 | 0 | 0 | 0 | 112.8 | V62 | V62-Y64 HydrophobicContact CG1-CD2 3.93Š| ||
| 65 | S | 25.9 | Very low | 24.5 | Very low | 107 Ų | 107 | 132.5 Ų | 132.5 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -87 | 160.1 | 169.6 | -37.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 66 | P | 28.7 | Very low | 24.2 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | -137.8 | 121.7 | 138.9 | 17.3 | 4.8 | 0 | 0 | 0 | 115.9 | ||||
| 67 | T | 24.5 | Very low | 24.3 | Very low | 135 Ų | 135 | 134.7 Ų | 134.7 | 83% | 0.828 | 78% | 0.779 | S | S | * | * | trans | 45.1 | 124.9 | 133.5 | 50.2 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 68 | R | 25.4 | Very low | 24.3 | Very low | 226 Ų | 226 | 137.9 Ų | 137.9 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -41.4 | 157.4 | 150.6 | -75.1 | 170.8 | 157.7 | 164.9 | -7 | 116.3 | ||||
| 69 | N | 24.1 | Very low | 24.3 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | -152.2 | 117.4 | 121.4 | -88.5 | -30.6 | 0 | 0 | 0 | 108.5 | |||||
| 70 | I | 25.2 | Very low | 24.2 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | 63 | 118.2 | 96.4 | -60.1 | 173.3 | 0 | 0 | 0 | 110.8 | |||||
| 71 | T | 23.6 | Very low | 24.4 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | -146.8 | 129.5 | 56.9 | -44.5 | 0 | 0 | 0 | 0 | 113.9 | V73 | T71-V73 HydrophobicContact CG2-CG2 3.96Š| |||
| 72 | A | 22.3 | Very low | 24.5 | Very low | 93 Ų | 93 | 139.9 Ų | 139.9 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -117.6 | 123.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 73 | V | 22.7 | Very low | 24.5 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -95.8 | 102.7 | 177 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | T71 V75 | T71-V73 HydrophobicContact CG2-CG2 3.96Å; V73-V75 HydrophobicContact CG1-CG2 4.09Å | ||
| 74 | V | 21.4 | Very low | 24.7 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | trans | -98.4 | 117.7 | 165 | -179.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 75 | V | 23.1 | Very low | 24.9 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | -112 | 119.8 | 162.7 | 178.1 | 0 | 0 | 0 | 0 | 107.2 | V73 | V73-V75 HydrophobicContact CG1-CG2 4.09Š| ||
| 76 | S | 20.4 | Very low | 24.9 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | trans | -94.3 | 145.9 | 177.6 | -169.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 77 | R | 27.3 | Very low | 24.8 | Very low | 223 Ų | 223 | 140.8 Ų | 140.8 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | trans | 31.3 | 123 | 163 | -74.8 | -177.7 | 169.9 | 170 | -2.9 | 118.7 | ||||
| 78 | D | 22.7 | Very low | 24.8 | Very low | 159 Ų | 159 | 143 Ų | 143 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | -162.5 | 159.9 | 100.5 | -100.2 | -24.2 | 0 | 0 | 0 | 113.1 | |||||
| 79 | K | 29.2 | Very low | 24.9 | Very low | 204 Ų | 204 | 141 Ų | 141 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | -132 | 102 | -175.2 | -171.1 | -174.5 | -172.3 | -178.2 | 0 | 111.5 | ||||
| 80 | P | 24.2 | Very low | 25 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | trans | -97.1 | 166.5 | 165.4 | -1.8 | 23 | 0 | 0 | 0 | 112.3 | ||||
| 81 | P | 29 | Very low | 25.1 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | trans | -98.7 | 153.8 | -161.2 | 37 | -35.4 | 0 | 0 | 0 | 115.7 | ||||
| 82 | G | 25.2 | Very low | 25.2 | Very low | 73 Ų | 73 | 137.5 Ų | 137.5 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | 66.8 | 92.9 | 139.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 83 | C | 24.3 | Very low | 25.5 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | trans | -153.6 | 117 | 140.5 | -109.5 | 0 | 0 | 0 | 0 | 110.5 | F85 | C83-F85 HydrophobicContact CB-CD2 4.42Å; C83-F85 HydrophobicContact CB-CE2 4.25Å | ||
| 84 | G | 28.4 | Very low | 25.7 | Very low | 76 Ų | 76 | 139.5 Ų | 139.5 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | trans | -88.5 | 128.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 85 | F | 26 | Very low | 26.1 | Very low | 187 Ų | 187 | 141 Ų | 141 | 82% | 0.82 | 82% | 0.816 | S | S | * | * | trans | -130.9 | 125.2 | 166.6 | -80.9 | -79.3 | 0 | 0 | 0 | 110.3 | C83 | C83-F85 HydrophobicContact CB-CD2 4.42Å; C83-F85 HydrophobicContact CB-CE2 4.25Å | ||
| 86 | A | 26 | Very low | 26.3 | Very low | 96 Ų | 96 | 139.7 Ų | 139.7 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | trans | -67.6 | 130.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q88 | A86-Q88 PolarHBondContact O-N 2.95Š| ||
| 87 | R | 26 | Very low | 26.7 | Very low | 245 Ų | 245 | 144.1 Ų | 144.1 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | trans | -80.3 | 102.8 | 174.9 | -169.7 | 173.2 | -174.9 | 170.6 | 1.3 | 109.7 | ||||
| 88 | Q | 24.5 | Very low | 26.7 | Very low | 182 Ų | 182 | 140.2 Ų | 140.2 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 141.3 | 172.1 | -67 | 176.8 | -12.8 | 0 | 0 | 110.7 | A86 | A86-Q88 PolarHBondContact O-N 2.95Š|
| 89 | Q | 27.4 | Very low | 27 | Very low | 183 Ų | 183 | 135.9 Ų | 135.9 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 142.7 | 173.1 | -68.3 | 173.1 | -26 | 0 | 0 | 110.5 | ||
| 90 | P | 26.8 | Very low | 27 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 143.3 | 164.7 | 32.6 | -32.2 | 0 | 0 | 0 | 110.5 | ||
| 91 | P | 26.6 | Very low | 27.3 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 84% | 0.844 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 144.2 | -174.7 | 33.8 | -34.7 | 0 | 0 | 0 | 114 | ||
| 92 | G | 26.9 | Very low | 27.2 | Very low | 78 Ų | 78 | 132.4 Ų | 132.4 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | 68.2 | 87.2 | 141 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 93 | S | 28.1 | Very low | 27.5 | Very low | 119 Ų | 119 | 141 Ų | 141 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | trans | -121.1 | 105.4 | 144 | 51.8 | 0 | 0 | 0 | 0 | 109.6 | L95 | S93-L95 PolarHBondContact O-N 2.93Š| ||
| 94 | T | 26.1 | Very low | 27.7 | Very low | 141 Ų | 141 | 137.7 Ų | 137.7 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | trans | -80.7 | 104.8 | -177.9 | 21 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 95 | L | 29.4 | Very low | 27.9 | Very low | 159 Ų | 159 | 142.7 Ų | 142.7 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -75.3 | 131.5 | 164.9 | -70.5 | 171.8 | 0 | 0 | 0 | 109.9 | S93 F97 | S93-L95 PolarHBondContact O-N 2.93Å; L95-F97 PolarHBondContact O-N 2.77Å | ||
| 96 | P | 28.2 | Very low | 28.6 | Very low | 106 Ų | 106 | 145.6 Ų | 145.6 | 69% | 0.688 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -88.4 | 64.8 | -169.4 | 36.3 | -37.5 | 0 | 0 | 0 | 113.1 | ||
| 97 | F | 28 | Very low | 29.9 | Very low | 187 Ų | 187 | 149.1 Ų | 149.1 | 82% | 0.82 | 82% | 0.819 | S | S | * | * | trans | -142.6 | 101.8 | 168.4 | -73.8 | -71.5 | 0 | 0 | 0 | 112.3 | L95 G99 | L95-F97 PolarHBondContact O-N 2.77Å; F97-G99 PolarHBondContact O-N 2.89Å | ||
| 98 | P | 27 | Very low | 31.7 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 102.5 | 169.9 | 31.2 | -30.3 | 0 | 0 | 0 | 109.5 | ||
| 99 | G | 28.9 | Very low | 33.9 | Very low | 69 Ų | 69 | 139.2 Ų | 139.2 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 171.7 | -12.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 119 | F97 | F97-G99 PolarHBondContact O-N 2.89Š|
| 100 | V | 30.9 | Very low | 36.1 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 84% | 0.842 | 75% | 0.752 | S | S | * | * | trans | -122.1 | 64.2 | -178.1 | -165.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 101 | T | 28.6 | Very low | 39 | Very low | 144 Ų | 144 | 130.8 Ų | 130.8 | 88% | 0.883 | 73% | 0.732 | S | S | * | * | trans | -124.1 | 69.2 | 165.5 | 52.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 102 | A | 28.7 | Very low | 42.2 | Very low | 86 Ų | 86 | 124.7 Ų | 124.7 | 71% | 0.711 | 69% | 0.692 | S | S | * | * | trans | -149.7 | 109.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | G104 | A102-G104 PolarHBondContact O-N 3.41Š| ||
| 103 | R | 29.9 | Very low | 45.4 | Very low | 254 Ų | 254 | 121.5 Ų | 121.5 | 96% | 0.958 | 66% | 0.657 | S | S | * | * | trans | -68.2 | 76.8 | 148.9 | -86 | -176.5 | 163.6 | -141.6 | -0.7 | 107.1 | Q105 | R103-Q105 PolarHBondContact O-N 3.29Š| ||
| 104 | G | 29.5 | Very low | 48.7 | Very low | 46 Ų | 46 | 115.8 Ų | 115.8 | 47% | 0.474 | 62% | 0.617 | S | S | . | * | trans | -71.6 | 93.5 | 171 | 0 | 0 | 0 | 0 | 0 | 109.1 | A102 W106 | A102-G104 PolarHBondContact O-N 3.41Å; G104-W106 PolarHBondContact O-N 3.28Å | ||
| 105 | Q | 32.4 | Very low | 52.1 | Low | 182 Ų | 182 | 109.1 Ų | 109.1 | 85% | 0.85 | 58% | 0.576 | S | S | * | * | trans | -69.9 | 90.5 | 161 | -72.7 | 176 | -70.6 | 0 | 0 | 107.2 | R103 E107 | R103-Q105 PolarHBondContact O-N 3.29Å; Q105-E107 PolarHBondContact O-N 3.33Å; Q105-E107 VanDerWaalsContact O-N 3.13Å | ||
| 106 | W | 41.2 | Very low | 55.3 | Low | 247 Ų | 247 | 101.5 Ų | 101.5 | 94% | 0.936 | 54% | 0.537 | S | S | * | . | trans | -74.9 | 94.6 | 166.6 | -66.9 | 85.9 | 0 | 0 | 0 | 107 | G104 E108 | G104-W106 PolarHBondContact O-N 3.28Å; W106-E108 PolarHBondContact O-N 3.46Å | ||
| 107 | E | 53 | Low | 58.7 | Low | 170 Ų | 170 | 96.5 Ų | 96.5 | 79% | 0.794 | 50% | 0.504 | S | S | * | . | trans | -63.7 | 114.7 | 168.2 | -70.3 | -175 | 154.2 | 0 | 0 | 108.5 | Q105 K109 | Q105-E107 PolarHBondContact O-N 3.33Å; Q105-E107 VanDerWaalsContact O-N 3.13Å; E107-K109 PolarHBondContact O-N 3.45Å | ||
| 108 | E | 63.3 | Low | 62 | Low | 63 Ų | 63 | 87.6 Ų | 87.6 | 29% | 0.294 | 47% | 0.465 | S | S | . | . | trans | -64.7 | 117.1 | 173 | -165.9 | 175 | -159.4 | 0 | 0 | 108.1 | W106 S195 T197 L198 | W106-E108 PolarHBondContact O-N 3.46Å; E108-S195 WeakPolarHBondContact OE1-CB 3.26Å; E108-S195 PolarHBondContact OE1-OG 3.28Å; E108-T197 PolarHBondContact OE1-OG1 3.04Å; E108-T197 PolarHBondContact OE2-OG1 3.25Å; E108-L198 HydrophobicContact CB-CD1 4.12Å; E108-L198 HydrophobicContact CG-CD1 3.78Å; E108-L198 HydrophobicContact CG-CG 4.19Å | ||
| 109 | K | 70 | Confident | 65.2 | Low | 157 Ų | 157 | 82 Ų | 82 | 68% | 0.683 | 43% | 0.428 | S | S | * | . | trans | -87.1 | 137.5 | -177.6 | -68.2 | -170.7 | 177 | -173.6 | 0 | 110.3 | E107 Q111 | E107-K109 PolarHBondContact O-N 3.45Å; K109-Q111 HydrophobicContact CB-CG 4.4Å; K109-Q111 PolarHBondContact O-N 2.83Å; K109-Q111 VanDerWaalsContact O-N 3.09Å | ||
| 110 | D | 75 | Confident | 68.3 | Low | 47 Ų | 47 | 82.2 Ų | 82.2 | 25% | 0.251 | 41% | 0.41 | S | S | . | . | trans | -49 | 112.7 | 161.5 | -67 | 2.9 | 0 | 0 | 0 | 109.6 | R201 Y202 K230 | D110-R201 IonicContact OD1-NH1 2.63Å; D110-Y202 WeakPolarHBondContact CB-OH 3.25Å; D110-Y202 PolarHBondContact OD1-OH 3.04Å; D110-Y202 PolarHBondContact OD2-OH 3.47Å; D110-K230 HydrophobicContact CB-CD 4.01Å; D110-K230 WeakPolarHBondContact OD2-CE 3.31Å; D110-K230 IonicContact OD2-NZ 2.73Å; D110-K230 PolarHBondContact OD2-NZ 2.84Å | ||
| 111 | Q | 87.4 | Confident | 71.1 | Confident | 81 Ų | 81 | 77.9 Ų | 77.9 | 38% | 0.379 | 38% | 0.382 | S | S | . | . | trans | -133.3 | 87.2 | -177.2 | -78.4 | -171.5 | -8.6 | 0 | 0 | 110.5 | K109 P194 A232 | K109-Q111 HydrophobicContact CB-CG 4.4Å; K109-Q111 PolarHBondContact O-N 2.83Å; K109-Q111 VanDerWaalsContact O-N 3.09Å; Q111-P194 HydrophobicContact CB-CG 4.27Å; Q111-P194 WeakPolarHBondContact O-CD 3.26Å; Q111-A232 HydrophobicContact CB-CB 3.93Å; Q111-A232 HydrophobicContact CG-CB 4.28Å | ||
| 112 | I | 93.4 | Very high | 73.8 | Confident | 2 Ų | 2 | 73.4 Ų | 73.4 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -85.4 | 119.2 | 177.4 | -58.2 | -56 | 0 | 0 | 0 | 109.8 | A114 V115 I191 Y202 F226 Y227 K230 K231 A232 | I112-A114 WeakPolarHBondContact CG2-O 3.33Å; I112-V115 HydrophobicContact CG2-CG2 3.73Å; I112-I191 HydrophobicContact CD1-CB 4.39Å; I112-I191 HydrophobicContact CD1-CD1 3.91Å; I112-I191 HydrophobicContact CG2-CB 4.47Å; I112-Y202 HydrophobicContact CD1-CD2 4.25Å; I112-Y202 HydrophobicContact CD1-CE2 3.81Å; I112-F226 HydrophobicContact CD1-CZ 4.41Å; I112-F226 HydrophobicContact CG1-CE1 4.1Å; I112-F226 HydrophobicContact CG1-CZ 4.05Å; I112-F226 HydrophobicContact CG2-CE1 4.38Å; I112-Y227 HydrophobicContact CG2-CD2 4.16Å; I112-K230 HydrophobicContact CB-CB 4.14Å; I112-K230 HydrophobicContact CG1-CB 3.62Å; I112-K230 PolarHBondContact N-O 3.22Å; I112-K231 CarbonylContact O-C 3.54Å; I112-K231 VanDerWaalsContact O-CA 3.3Å; I112-K231 WeakPolarHBondContact O-CA 3.44Å; I112-A232 PolarHBondContact O-N 3.08Å |
| 113 | V | 94.3 | Very high | 76.5 | Confident | 11 Ų | 11 | 79.7 Ų | 79.7 | 7% | 0.067 | 36% | 0.36 | C | S | . | . | trans | -84 | -40.9 | 179.2 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | P133 Y165 L192 P194 A232 | V113-P133 WeakPolarHBondContact O-CD 3.4Å; V113-Y165 HydrophobicContact CB-CE1 4.43Å; V113-Y165 HydrophobicContact CG1-CD1 4.49Å; V113-Y165 HydrophobicContact CG1-CD2 4.43Å; V113-Y165 HydrophobicContact CG1-CE1 4.13Å; V113-Y165 HydrophobicContact CG1-CE2 4.04Å; V113-Y165 HydrophobicContact CG2-CD1 3.89Å; V113-Y165 HydrophobicContact CG2-CE1 3.65Å; V113-L192 HydrophobicContact CB-CB 4.31Å; V113-L192 PolarHBondContact N-O 3.3Å; V113-P194 HydrophobicContact CG2-CG 4.08Å; V113-A232 HydrophobicContact CG2-CB 4.39Å | ||
| 114 | A | 96.5 | Very high | 79.2 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 156.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I112 L132 V136 L138 I191 L192 | I112-A114 WeakPolarHBondContact CG2-O 3.33Å; A114-L132 CarbonylContact C-O 3.58Å; A114-L132 WeakPolarHBondContact CA-O 3.44Å; A114-L132 WeakPolarHBondContact CB-O 3.25Å; A114-V136 HydrophobicContact CB-CG1 3.94Å; A114-V136 HydrophobicContact CB-CG2 4.24Å; A114-L138 HydrophobicContact CB-CD2 4.36Å; A114-I191 CarbonylContact O-C 3.56Å; A114-I191 VanDerWaalsContact O-CA 3.26Å; A114-I191 WeakPolarHBondContact O-CA 3.32Å; A114-L192 HydrophobicContact CB-CB 4.29Å; A114-L192 HydrophobicContact CB-CD1 4.24Å; A114-L192 HydrophobicContact CB-CG 4.34Å; A114-L192 PolarHBondContact O-N 2.79Å |
| 115 | V | 97.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 139.7 | 167.9 | -173 | 0 | 0 | 0 | 0 | 107.1 | I112 W130 C131 L132 G190 I191 L223 F226 Y227 | I112-V115 HydrophobicContact CG2-CG2 3.73Å; V115-W130 HydrophobicContact CB-CZ3 4.33Å; V115-W130 HydrophobicContact CG1-CZ3 4.09Å; V115-C131 CarbonylContact O-C 3.6Å; V115-C131 VanDerWaalsContact O-CA 3.23Å; V115-C131 WeakPolarHBondContact O-CA 3.44Å; V115-C131 WeakPolarHBondContact O-CB 3.41Å; V115-L132 PolarHBondContact N-O 3.24Å; V115-L132 PolarHBondContact O-N 3.36Å; V115-G190 CarbonylContact C-O 3.49Å; V115-G190 WeakPolarHBondContact CA-O 3.47Å; V115-I191 HydrophobicContact CB-CG2 4.44Å; V115-I191 HydrophobicContact CG1-CG2 4.15Å; V115-I191 HydrophobicContact CG2-CG2 4.06Å; V115-L223 HydrophobicContact CG1-CB 4.19Å; V115-L223 HydrophobicContact CG1-CD2 3.97Å; V115-F226 HydrophobicContact CG2-CD1 3.9Å; V115-F226 HydrophobicContact CG2-CE1 3.99Å; V115-Y227 HydrophobicContact CG2-CD2 3.84Å; V115-Y227 HydrophobicContact CG2-CG 4.28Å |
| 116 | F | 98.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 156.6 | -175.3 | 59.4 | -96.8 | 0 | 0 | 0 | 112.5 | V118 W130 C131 L138 V141 S145 F160 A169 V189 G190 L192 | F116-V118 HydrophobicContact CD2-CG2 3.94Å; F116-V118 HydrophobicContact CE2-CG2 4.21Å; F116-W130 CarbonylContact C-O 3.47Å; F116-W130 WeakPolarHBondContact CA-O 3.25Å; F116-C131 HydrophobicContact CB-CB 3.87Å; F116-L138 HydrophobicContact CB-CD1 3.76Å; F116-L138 HydrophobicContact CD1-CD1 4.43Å; F116-L138 HydrophobicContact CD1-CD2 4.42Å; F116-L138 HydrophobicContact CG-CD1 4.31Å; F116-V141 HydrophobicContact CD1-CG1 4.19Å; F116-V141 HydrophobicContact CD2-CG1 4.02Å; F116-V141 HydrophobicContact CE1-CG1 3.77Å; F116-V141 HydrophobicContact CE2-CG1 3.59Å; F116-V141 HydrophobicContact CG-CG1 4.31Å; F116-V141 HydrophobicContact CZ-CG1 3.45Å; F116-V141 VanDerWaalsContact CZ-CG1 3.45Å; F116-S145 VanDerWaalsContact CE2-OG 3.25Å; F116-S145 WeakPolarHBondContact CE2-OG 3.45Å; F116-F160 HydrophobicContact CE1-CZ 4.38Å; F116-F160 HydrophobicContact CZ-CE1 4.34Å; F116-F160 AromaticContact CZ-CZ 3.86Å; F116-F160 HydrophobicContact CZ-CZ 3.86Å; F116-A169 HydrophobicContact CE2-CB 4.28Å; F116-A169 HydrophobicContact CZ-CB 4.27Å; F116-V189 WeakPolarHBondContact O-CA 3.33Å; F116-G190 WeakPolarHBondContact CD1-O 3.41Å; F116-G190 VanDerWaalsContact CE1-C 3.41Å; F116-G190 VanDerWaalsContact CZ-CA 3.47Å; F116-G190 PolarHBondContact N-O 2.77Å; F116-G190 PolarHBondContact O-N 2.97Å; F116-L192 HydrophobicContact CE1-CD2 4.13Å; F116-L192 HydrophobicContact CE1-CG 4.1Å |
| 117 | V | 98.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 126.5 | 170.3 | -175.9 | 0 | 0 | 0 | 0 | 108 | E129 W130 K187 S188 V189 Q213 Y220 L223 | V117-E129 HydrophobicContact CG1-CB 4.45Å; V117-E129 PolarHBondContact O-N 3.44Å; V117-W130 HydrophobicContact CB-CB 4.4Å; V117-W130 HydrophobicContact CG2-CE3 3.93Å; V117-W130 PolarHBondContact N-O 3.15Å; V117-W130 PolarHBondContact O-N 3.47Å; V117-K187 HydrophobicContact CG1-CD 4.37Å; V117-S188 CarbonylContact C-O 3.57Å; V117-S188 WeakPolarHBondContact CA-O 3.47Å; V117-V189 HydrophobicContact CG1-CG2 4.3Å; V117-V189 HydrophobicContact CG2-CG2 4.13Å; V117-Q213 HydrophobicContact CG1-CG 4.44Å; V117-Y220 HydrophobicContact CB-CE1 4.42Å; V117-Y220 HydrophobicContact CG2-CD1 4.07Å; V117-Y220 HydrophobicContact CG2-CE1 4.04Å; V117-L223 HydrophobicContact CG2-CD1 3.58Å |
| 118 | V | 97.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 139.6 | 172.4 | -179.7 | 0 | 0 | 0 | 0 | 108 | F116 N126 M127 V128 E142 M146 K187 S188 | F116-V118 HydrophobicContact CD2-CG2 3.94Å; F116-V118 HydrophobicContact CE2-CG2 4.21Å; V118-N126 HydrophobicContact CG1-CB 4.38Å; V118-M127 CarbonylContact C-O 3.51Å; V118-M127 WeakPolarHBondContact CA-O 3.45Å; V118-M127 WeakPolarHBondContact CG1-O 3.36Å; V118-V128 HydrophobicContact CG2-CG2 4.4Å; V118-E142 HydrophobicContact CG1-CB 3.83Å; V118-E142 HydrophobicContact CG2-CB 4.32Å; V118-M146 HydrophobicContact CB-SD 4.42Å; V118-M146 HydrophobicContact CG1-CG 4.22Å; V118-M146 HydrophobicContact CG1-SD 3.74Å; V118-K187 CarbonylContact O-C 3.57Å; V118-K187 VanDerWaalsContact O-CA 3.28Å; V118-K187 WeakPolarHBondContact O-CA 3.45Å; V118-S188 PolarHBondContact N-O 2.93Å; V118-S188 PolarHBondContact O-N 2.78Å |
| 119 | T | 95.4 | Very high | 91.2 | Very high | 25 Ų | 25 | 48.9 Ų | 48.9 | 15% | 0.153 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 158 | 173.2 | -166.3 | 0 | 0 | 0 | 0 | 110.3 | M127 E129 | T119-M127 HydrophobicContact CG2-CG 3.82Å; T119-M127 HydrophobicContact CG2-SD 4.48Å; T119-M127 PolarHBondContact N-O 3.21Å; T119-M127 PolarHBondContact O-N 3.03Å; T119-E129 HydrophobicContact CG2-CB 3.92Å; T119-E129 HydrophobicContact CG2-CG 4.23Å |
| 120 | F | 93.4 | Very high | 92.5 | Very high | 73 Ų | 73 | 42.7 Ų | 42.7 | 32% | 0.32 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 114.5 | 168.2 | -179.4 | -102.4 | 0 | 0 | 0 | 110.4 | T122 M146 M186 | F120-T122 HydrophobicContact CE1-CG2 4.17Å; F120-M146 HydrophobicContact CB-CE 3.89Å; F120-M186 HydrophobicContact CB-CB 4.08Å; F120-M186 HydrophobicContact CB-CE 4.09Å; F120-M186 HydrophobicContact CD1-CE 3.54Å; F120-M186 HydrophobicContact CD2-CE 4.47Å; F120-M186 HydrophobicContact CE1-CE 4.04Å; F120-M186 HydrophobicContact CG-CE 3.78Å; F120-M186 PolarHBondContact N-O 2.69Å |
| 121 | D | 89.1 | Confident | 93.6 | Very high | 47 Ų | 47 | 41.5 Ų | 41.5 | 25% | 0.251 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 131.9 | 168 | 177.8 | -114.6 | 0 | 0 | 0 | 110.1 | R123 S124 G125 M127 | D121-R123 PolarHBondContact O-N 2.91Å; D121-R123 VanDerWaalsContact O-N 3.1Å; D121-R123 WeakPolarHBondContact OD1-CB 3.31Å; D121-R123 PolarHBondContact OD1-N 2.76Å; D121-S124 PolarHBondContact O-N 3.02Å; D121-S124 WeakPolarHBondContact OD1-CB 3.39Å; D121-S124 PolarHBondContact OD1-N 3.36Å; D121-S124 PolarHBondContact OD1-OG 2.9Å; D121-G125 PolarHBondContact N-O 3.39Å; D121-G125 WeakPolarHBondContact O-CA 3.4Å; D121-G125 PolarHBondContact O-N 3.46Å; D121-M127 HydrophobicContact CB-CG 4.38Å; D121-M127 HydrophobicContact CB-SD 3.75Å |
| 122 | T | 85.5 | Confident | 94 | Very high | 51 Ų | 51 | 38.7 Ų | 38.7 | 31% | 0.313 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -13.7 | -173.6 | 55 | 0 | 0 | 0 | 0 | 114 | F120 L180 R182 | F120-T122 HydrophobicContact CE1-CG2 4.17Å; T122-L180 WeakPolarHBondContact CG2-O 3.35Å; T122-L180 PolarHBondContact OG1-O 3.37Å; T122-L180 VanDerWaalsContact OG1-O 3.14Å; T122-R182 HydrophobicContact CG2-CB 4.32Å; T122-R182 HydrophobicContact CG2-CG 4.02Å |
| 123 | R | 85.5 | Confident | 94.1 | Very high | 218 Ų | 218 | 40.1 Ų | 40.1 | 82% | 0.823 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | -36.9 | 177.6 | 177.3 | -175.3 | 62.8 | 146.9 | 2.3 | 113 | D121 | D121-R123 PolarHBondContact O-N 2.91Å; D121-R123 VanDerWaalsContact O-N 3.1Å; D121-R123 WeakPolarHBondContact OD1-CB 3.31Å; D121-R123 PolarHBondContact OD1-N 2.76Å |
| 124 | S | 86.9 | Confident | 94 | Very high | 73 Ų | 73 | 46.8 Ų | 46.8 | 51% | 0.51 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -13.4 | -169.9 | -38.9 | 0 | 0 | 0 | 0 | 113.3 | D121 | D121-S124 PolarHBondContact O-N 3.02Å; D121-S124 WeakPolarHBondContact OD1-CB 3.39Å; D121-S124 PolarHBondContact OD1-N 3.36Å; D121-S124 PolarHBondContact OD1-OG 2.9Å |
| 125 | G | 90.9 | Very high | 93.6 | Very high | 23 Ų | 23 | 53.7 Ų | 53.7 | 24% | 0.237 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 85.3 | -152.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D121 | D121-G125 PolarHBondContact N-O 3.39Å; D121-G125 WeakPolarHBondContact O-CA 3.4Å; D121-G125 PolarHBondContact O-N 3.46Å |
| 126 | N | 93.9 | Very high | 93.3 | Very high | 33 Ų | 33 | 55.5 Ų | 55.5 | 18% | 0.176 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 134.3 | 174.7 | -58.2 | -3.8 | 0 | 0 | 0 | 109.5 | V118 E142 F143 M146 | V118-N126 HydrophobicContact CG1-CB 4.38Å; N126-E142 HydrophobicContact CB-CB 3.99Å; N126-E142 HydrophobicContact CB-CG 4.26Å; N126-E142 PolarHBondContact ND2-O 3.29Å; N126-F143 HydrophobicContact CB-CD1 4.3Å; N126-F143 HydrophobicContact CB-CE1 4.22Å; N126-M146 WeakPolarHBondContact ND2-CB 3.37Å; N126-M146 PolarHBondContact ND2-O 3.31Å |
| 127 | M | 95 | Very high | 93 | Very high | 79 Ų | 79 | 59.9 Ų | 59.9 | 39% | 0.389 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 147.6 | 176.1 | 58.6 | 178.6 | -70.7 | 0 | 0 | 111.6 | V118 T119 D121 E129 | V118-M127 CarbonylContact C-O 3.51Å; V118-M127 WeakPolarHBondContact CA-O 3.45Å; V118-M127 WeakPolarHBondContact CG1-O 3.36Å; T119-M127 HydrophobicContact CG2-CG 3.82Å; T119-M127 HydrophobicContact CG2-SD 4.48Å; T119-M127 PolarHBondContact N-O 3.21Å; T119-M127 PolarHBondContact O-N 3.03Å; D121-M127 HydrophobicContact CB-CG 4.38Å; D121-M127 HydrophobicContact CB-SD 3.75Å; M127-E129 PolarHBondContact O-N 3.17Å |
| 128 | V | 96.4 | Very high | 92.8 | Very high | 44 Ų | 44 | 60.4 Ų | 60.4 | 27% | 0.267 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 114.7 | 169.4 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | V118 C131 L138 E142 | V118-V128 HydrophobicContact CG2-CG2 4.4Å; V128-C131 HydrophobicContact CG1-CB 4.21Å; V128-L138 HydrophobicContact CG1-CD1 4.24Å; V128-L138 HydrophobicContact CG2-CB 4.39Å; V128-E142 HydrophobicContact CG2-CB 4.36Å |
| 129 | E | 95.5 | Very high | 92.5 | Very high | 62 Ų | 62 | 65.7 Ų | 65.7 | 29% | 0.29 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -37.8 | 179.3 | -173 | -174.6 | 173.3 | 0 | 0 | 111.3 | V117 T119 M127 K187 Y220 | V117-E129 HydrophobicContact CG1-CB 4.45Å; V117-E129 PolarHBondContact O-N 3.44Å; T119-E129 HydrophobicContact CG2-CB 3.92Å; T119-E129 HydrophobicContact CG2-CG 4.23Å; M127-E129 PolarHBondContact O-N 3.17Å; E129-K187 IonicContact OE1-NZ 2.69Å; E129-K187 PolarHBondContact OE1-NZ 3.16Å; E129-K187 WeakPolarHBondContact OE2-CE 3.26Å; E129-K187 IonicContact OE2-NZ 2.73Å; E129-K187 PolarHBondContact OE2-NZ 3.44Å; E129-Y220 VanDerWaalsContact CD-OH 3.29Å; E129-Y220 WeakPolarHBondContact CG-OH 3.46Å; E129-Y220 PolarHBondContact OE1-OH 3.33Å |
| 130 | W | 97.1 | Very high | 92.3 | Very high | 28 Ų | 28 | 65.3 Ų | 65.3 | 11% | 0.106 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 148.9 | -176.3 | 175.7 | 92.5 | 0 | 0 | 0 | 110.5 | V115 F116 V117 L132 Y220 L223 E224 | V115-W130 HydrophobicContact CB-CZ3 4.33Å; V115-W130 HydrophobicContact CG1-CZ3 4.09Å; F116-W130 CarbonylContact C-O 3.47Å; F116-W130 WeakPolarHBondContact CA-O 3.25Å; V117-W130 HydrophobicContact CB-CB 4.4Å; V117-W130 HydrophobicContact CG2-CE3 3.93Å; V117-W130 PolarHBondContact N-O 3.15Å; V117-W130 PolarHBondContact O-N 3.47Å; W130-L132 HydrophobicContact CH2-CB 4.25Å; W130-L132 HydrophobicContact CH2-CD1 3.8Å; W130-L132 HydrophobicContact CH2-CG 3.78Å; W130-L132 HydrophobicContact CZ2-CB 4.47Å; W130-L132 HydrophobicContact CZ2-CD1 3.64Å; W130-L132 HydrophobicContact CZ2-CG 3.55Å; W130-Y220 HydrophobicContact CB-CD1 4.13Å; W130-Y220 HydrophobicContact CB-CD2 4.25Å; W130-Y220 HydrophobicContact CB-CE1 3.75Å; W130-Y220 HydrophobicContact CB-CE2 3.87Å; W130-Y220 HydrophobicContact CB-CG 4.36Å; W130-Y220 AromaticContact CD1-CD2 3.27Å; W130-Y220 AromaticContact CD1-CE2 3.52Å; W130-Y220 AromaticContact CD1-CG 3.7Å; W130-Y220 AromaticContact CD2-CD1 3.9Å; W130-Y220 HydrophobicContact CD2-CD1 3.9Å; W130-Y220 HydrophobicContact CD2-CD2 4.12Å; W130-Y220 HydrophobicContact CD2-CE1 4.44Å; W130-Y220 AromaticContact CD2-CG 3.72Å; W130-Y220 HydrophobicContact CD2-CG 3.72Å; W130-Y220 AromaticContact CE2-CG 3.73Å; W130-Y220 HydrophobicContact CE3-CD1 4.28Å; W130-Y220 HydrophobicContact CE3-CG 4.42Å; W130-Y220 AromaticContact CG-CD1 3.87Å; W130-Y220 HydrophobicContact CG-CD1 3.87Å; W130-Y220 AromaticContact CG-CD2 3.65Å; W130-Y220 HydrophobicContact CG-CD2 3.65Å; W130-Y220 AromaticContact CG-CE1 3.98Å; W130-Y220 HydrophobicContact CG-CE1 3.98Å; W130-Y220 AromaticContact CG-CE2 3.75Å; W130-Y220 HydrophobicContact CG-CE2 3.75Å; W130-Y220 AromaticContact CG-CG 3.69Å; W130-Y220 HydrophobicContact CG-CG 3.69Å; W130-Y220 AromaticContact CG-CZ 3.91Å; W130-Y220 HydrophobicContact CZ2-CG 4.38Å; W130-Y220 AromaticContact NE1-CD2 3.51Å; W130-Y220 AromaticContact NE1-CG 3.71Å; W130-L223 HydrophobicContact CE3-CD1 4.36Å; W130-L223 HydrophobicContact CH2-CB 3.64Å; W130-L223 HydrophobicContact CZ3-CB 3.8Å; W130-L223 HydrophobicContact CZ3-CD1 3.95Å; W130-E224 HydrophobicContact CH2-CG 4.34Å; W130-E224 HydrophobicContact CZ2-CG 3.68Å |
| 131 | C | 97.4 | Very high | 92.4 | Very high | 21 Ų | 21 | 61.9 Ų | 61.9 | 14% | 0.142 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 160.2 | 170 | 64.8 | 0 | 0 | 0 | 0 | 113.4 | V115 F116 V128 L138 | V115-C131 CarbonylContact O-C 3.6Å; V115-C131 VanDerWaalsContact O-CA 3.23Å; V115-C131 WeakPolarHBondContact O-CA 3.44Å; V115-C131 WeakPolarHBondContact O-CB 3.41Å; F116-C131 HydrophobicContact CB-CB 3.87Å; V128-C131 HydrophobicContact CG1-CB 4.21Å; C131-L138 HydrophobicContact CB-CD1 3.42Å; C131-L138 VanDerWaalsContact CB-CD1 3.42Å |
| 132 | L | 96.6 | Very high | 92.7 | Very high | 22 Ų | 22 | 61.1 Ų | 61.1 | 12% | 0.115 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 143.1 | 163 | -75 | 178.4 | 0 | 0 | 0 | 110.6 | A114 V115 W130 H134 E224 Y227 | A114-L132 CarbonylContact C-O 3.58Å; A114-L132 WeakPolarHBondContact CA-O 3.44Å; A114-L132 WeakPolarHBondContact CB-O 3.25Å; V115-L132 PolarHBondContact N-O 3.24Å; V115-L132 PolarHBondContact O-N 3.36Å; W130-L132 HydrophobicContact CH2-CB 4.25Å; W130-L132 HydrophobicContact CH2-CD1 3.8Å; W130-L132 HydrophobicContact CH2-CG 3.78Å; W130-L132 HydrophobicContact CZ2-CB 4.47Å; W130-L132 HydrophobicContact CZ2-CD1 3.64Å; W130-L132 HydrophobicContact CZ2-CG 3.55Å; L132-H134 WeakPolarHBondContact CD2-CE1 3.49Å; L132-E224 HydrophobicContact CD1-CB 4.32Å; L132-E224 HydrophobicContact CD1-CG 4.01Å; L132-Y227 HydrophobicContact CB-CD1 3.82Å; L132-Y227 HydrophobicContact CB-CE1 4.11Å; L132-Y227 HydrophobicContact CB-CG 4.03Å; L132-Y227 HydrophobicContact CD1-CD1 3.89Å; L132-Y227 HydrophobicContact CD1-CG 4.29Å; L132-Y227 HydrophobicContact CG-CD1 4.46Å |
| 133 | P | 95.5 | Very high | 93.1 | Very high | 32 Ų | 32 | 63.4 Ų | 63.4 | 21% | 0.208 | 33% | 0.327 | C | S | . | . | S | Bend | cis | -72.9 | 151.3 | -9.7 | 33.1 | -32.9 | 0 | 0 | 0 | 110.5 | V113 D135 V136 Y227 | V113-P133 WeakPolarHBondContact O-CD 3.4Å; P133-D135 PolarHBondContact O-N 3.16Å; P133-V136 HydrophobicContact CG-CB 4.07Å; P133-V136 HydrophobicContact CG-CG1 4.45Å; P133-V136 WeakPolarHBondContact O-CG1 3.42Å; P133-V136 PolarHBondContact O-N 3.09Å; P133-V136 VanDerWaalsContact O-N 3.12Å; P133-Y227 WeakPolarHBondContact CD-OH 3.3Å |
| 134 | H | 91.1 | Very high | 93.6 | Very high | 152 Ų | 152 | 53.6 Ų | 53.6 | 70% | 0.704 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -16.6 | -169.3 | -64.1 | 100 | 0 | 0 | 0 | 115.4 | L132 | L132-H134 WeakPolarHBondContact CD2-CE1 3.49Š|
| 135 | D | 88.8 | Confident | 94 | Very high | 145 Ų | 145 | 50.1 Ų | 50.1 | 78% | 0.775 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | 3.7 | -178.3 | 63.4 | -39.7 | 0 | 0 | 0 | 113.8 | P133 | P133-D135 PolarHBondContact O-N 3.16Š|
| 136 | V | 91.8 | Very high | 94.1 | Very high | 38 Ų | 38 | 49.5 Ų | 49.5 | 23% | 0.23 | 26% | 0.257 | C | S | . | . | trans | -74.6 | 132.8 | -179.5 | 69.7 | 0 | 0 | 0 | 0 | 112.5 | A114 P133 L138 | A114-V136 HydrophobicContact CB-CG1 3.94Å; A114-V136 HydrophobicContact CB-CG2 4.24Å; P133-V136 HydrophobicContact CG-CB 4.07Å; P133-V136 HydrophobicContact CG-CG1 4.45Å; P133-V136 WeakPolarHBondContact O-CG1 3.42Å; P133-V136 PolarHBondContact O-N 3.09Å; P133-V136 VanDerWaalsContact O-N 3.12Å; V136-L138 HydrophobicContact CG1-CD1 3.96Å; V136-L138 HydrophobicContact CG1-CD2 3.97Å; V136-L138 HydrophobicContact CG1-CG 3.74Å; V136-L138 HydrophobicContact CG2-CD2 4.4Å; V136-L138 PolarHBondContact O-N 3.32Å; V136-L138 VanDerWaalsContact O-N 3.13Å | ||
| 137 | N | 91.3 | Very high | 94.1 | Very high | 92 Ų | 92 | 48.2 Ų | 48.2 | 49% | 0.492 | 25% | 0.252 | S | S | . | . | trans | -70.6 | 107.8 | 173.5 | -177.3 | -69.8 | 0 | 0 | 0 | 110.8 | D139 K162 | N137-D139 PolarHBondContact ND2-OD2 3.14Å; N137-D139 PolarHBondContact OD1-N 3.24Å; N137-D139 PolarHBondContact OD1-OD2 3.09Å; N137-K162 VanDerWaalsContact O-CE 3.3Å; N137-K162 WeakPolarHBondContact O-CE 3.32Å; N137-K162 WeakPolarHBondContact OD1-CE 3.32Å; N137-K162 PolarHBondContact OD1-NZ 2.81Å | ||
| 138 | L | 93.4 | Very high | 94 | Very high | 10 Ų | 10 | 48 Ų | 48 | 5% | 0.052 | 26% | 0.257 | C | S | . | . | trans | -109 | 11.5 | 176.3 | -62.5 | 179.1 | 0 | 0 | 0 | 113.4 | A114 F116 V128 C131 V136 G140 V141 L192 | A114-L138 HydrophobicContact CB-CD2 4.36Å; F116-L138 HydrophobicContact CB-CD1 3.76Å; F116-L138 HydrophobicContact CD1-CD1 4.43Å; F116-L138 HydrophobicContact CD1-CD2 4.42Å; F116-L138 HydrophobicContact CG-CD1 4.31Å; V128-L138 HydrophobicContact CG1-CD1 4.24Å; V128-L138 HydrophobicContact CG2-CB 4.39Å; C131-L138 HydrophobicContact CB-CD1 3.42Å; C131-L138 VanDerWaalsContact CB-CD1 3.42Å; V136-L138 HydrophobicContact CG1-CD1 3.96Å; V136-L138 HydrophobicContact CG1-CD2 3.97Å; V136-L138 HydrophobicContact CG1-CG 3.74Å; V136-L138 HydrophobicContact CG2-CD2 4.4Å; V136-L138 PolarHBondContact O-N 3.32Å; V136-L138 VanDerWaalsContact O-N 3.13Å; L138-G140 PolarHBondContact O-N 3.32Å; L138-V141 HydrophobicContact CB-CB 4.27Å; L138-V141 HydrophobicContact CB-CG2 4.18Å; L138-V141 HydrophobicContact CD2-CG2 4.18Å; L138-V141 WeakPolarHBondContact O-CB 3.29Å; L138-V141 WeakPolarHBondContact O-CG2 3.36Å; L138-V141 PolarHBondContact O-N 3.04Å; L138-L192 HydrophobicContact CD2-CD1 3.69Å | ||
| 139 | D | 91.9 | Very high | 93.8 | Very high | 112 Ų | 112 | 46.6 Ų | 46.6 | 60% | 0.599 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | 122.7 | -174.9 | -50.7 | -16.1 | 0 | 0 | 0 | 112.1 | N137 V141 K162 | N137-D139 PolarHBondContact ND2-OD2 3.14Å; N137-D139 PolarHBondContact OD1-N 3.24Å; N137-D139 PolarHBondContact OD1-OD2 3.09Å; D139-V141 VanDerWaalsContact C-N 3.31Å; D139-V141 PolarHBondContact O-N 2.68Å; D139-K162 PolarHBondContact O-NZ 2.77Å |
| 140 | G | 92 | Very high | 93.6 | Very high | 17 Ų | 17 | 43.8 Ų | 43.8 | 18% | 0.175 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | -1.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116 | L138 E142 F143 K144 | L138-G140 PolarHBondContact O-N 3.32Å; G140-E142 WeakPolarHBondContact CA-OE1 3.32Å; G140-E142 WeakPolarHBondContact CA-OE2 3.27Å; G140-E142 PolarHBondContact N-OE1 3.01Å; G140-E142 VanDerWaalsContact N-OE1 3.07Å; G140-E142 PolarHBondContact N-OE2 3.33Å; G140-E142 PolarHBondContact O-N 2.92Å; G140-F143 PolarHBondContact O-N 2.81Å; G140-K144 PolarHBondContact O-N 2.93Å |
| 141 | V | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.3 | -30.7 | 172.8 | 171 | 0 | 0 | 0 | 0 | 110.7 | F116 L138 D139 F143 K144 S145 F160 K162 | F116-V141 HydrophobicContact CD1-CG1 4.19Å; F116-V141 HydrophobicContact CD2-CG1 4.02Å; F116-V141 HydrophobicContact CE1-CG1 3.77Å; F116-V141 HydrophobicContact CE2-CG1 3.59Å; F116-V141 HydrophobicContact CG-CG1 4.31Å; F116-V141 HydrophobicContact CZ-CG1 3.45Å; F116-V141 VanDerWaalsContact CZ-CG1 3.45Å; L138-V141 HydrophobicContact CB-CB 4.27Å; L138-V141 HydrophobicContact CB-CG2 4.18Å; L138-V141 HydrophobicContact CD2-CG2 4.18Å; L138-V141 WeakPolarHBondContact O-CB 3.29Å; L138-V141 WeakPolarHBondContact O-CG2 3.36Å; L138-V141 PolarHBondContact O-N 3.04Å; D139-V141 VanDerWaalsContact C-N 3.31Å; D139-V141 PolarHBondContact O-N 2.68Å; V141-F143 VanDerWaalsContact C-N 3.29Å; V141-F143 PolarHBondContact O-N 3.05Å; V141-K144 PolarHBondContact O-N 2.97Å; V141-K144 VanDerWaalsContact O-N 3.14Å; V141-S145 WeakPolarHBondContact CG1-OG 3.31Å; V141-S145 VanDerWaalsContact O-CB 3.27Å; V141-S145 WeakPolarHBondContact O-CB 3.5Å; V141-S145 PolarHBondContact O-N 3.22Å; V141-S145 PolarHBondContact O-OG 2.93Å; V141-F160 HydrophobicContact CG1-CE2 4.31Å; V141-F160 HydrophobicContact CG1-CZ 3.87Å; V141-F160 HydrophobicContact CG2-CE2 4.34Å; V141-K162 HydrophobicContact CG2-CD 4.06Å; V141-K162 HydrophobicContact CG2-CG 4.1Å |
| 142 | E | 94.9 | Very high | 93.1 | Very high | 31 Ų | 31 | 56.6 Ų | 56.6 | 15% | 0.145 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.1 | -32.2 | 173.2 | 66.4 | -76.3 | 178.4 | 0 | 0 | 113.5 | V118 N126 V128 G140 | V118-E142 HydrophobicContact CG1-CB 3.83Å; V118-E142 HydrophobicContact CG2-CB 4.32Å; N126-E142 HydrophobicContact CB-CB 3.99Å; N126-E142 HydrophobicContact CB-CG 4.26Å; N126-E142 PolarHBondContact ND2-O 3.29Å; V128-E142 HydrophobicContact CG2-CB 4.36Å; G140-E142 WeakPolarHBondContact CA-OE1 3.32Å; G140-E142 WeakPolarHBondContact CA-OE2 3.27Å; G140-E142 PolarHBondContact N-OE1 3.01Å; G140-E142 VanDerWaalsContact N-OE1 3.07Å; G140-E142 PolarHBondContact N-OE2 3.33Å; G140-E142 PolarHBondContact O-N 2.92Å |
| 143 | F | 93.8 | Very high | 93 | Very high | 100 Ų | 100 | 57.2 Ų | 57.2 | 44% | 0.439 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -89 | -12.5 | 176 | -53.2 | -61.9 | 0 | 0 | 0 | 113.5 | N126 G140 V141 N337 | N126-F143 HydrophobicContact CB-CD1 4.3Å; N126-F143 HydrophobicContact CB-CE1 4.22Å; G140-F143 PolarHBondContact O-N 2.81Å; V141-F143 VanDerWaalsContact C-N 3.29Å; V141-F143 PolarHBondContact O-N 3.05Å; F143-N337 WeakPolarHBondContact CB-ND2 3.39Å; F143-N337 PolarHBondContact O-ND2 2.93Å |
| 144 | K | 95.3 | Very high | 92.9 | Very high | 11 Ų | 11 | 60.7 Ų | 60.7 | 5% | 0.048 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -92.5 | -32.8 | 172.8 | -71.2 | 171.6 | 176.6 | -83.2 | 0 | 112.5 | G140 V141 I158 F160 R161 D340 | G140-K144 PolarHBondContact O-N 2.93Å; V141-K144 PolarHBondContact O-N 2.97Å; V141-K144 VanDerWaalsContact O-N 3.14Å; K144-I158 WeakPolarHBondContact O-CG2 3.33Å; K144-F160 HydrophobicContact CB-CB 4.08Å; K144-F160 HydrophobicContact CB-CD1 3.97Å; K144-F160 HydrophobicContact CB-CD2 3.92Å; K144-F160 HydrophobicContact CB-CE1 4.36Å; K144-F160 HydrophobicContact CB-CE2 4.31Å; K144-F160 HydrophobicContact CB-CG 3.73Å; K144-F160 HydrophobicContact CD-CB 4.22Å; K144-F160 HydrophobicContact CD-CD2 3.65Å; K144-F160 HydrophobicContact CD-CE2 4.27Å; K144-F160 HydrophobicContact CD-CG 4.1Å; K144-F160 HydrophobicContact CG-CB 4.39Å; K144-F160 HydrophobicContact CG-CD2 4.36Å; K144-F160 HydrophobicContact CG-CG 4.38Å; K144-R161 WeakPolarHBondContact CE-O 3.33Å; K144-R161 PolarHBondContact NZ-O 2.89Å; K144-D340 VanDerWaalsContact CE-OD1 3.27Å; K144-D340 WeakPolarHBondContact CE-OD1 2.92Å; K144-D340 IonicContact NZ-OD1 2.65Å; K144-D340 PolarHBondContact NZ-OD1 3.35Å; K144-D340 IonicContact NZ-OD2 3.35Å; K144-D340 PolarHBondContact NZ-OD2 3.48Å |
| 145 | S | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -85.1 | -14 | -177.2 | -52.1 | 0 | 0 | 0 | 0 | 113.5 | F116 V141 S188 | F116-S145 VanDerWaalsContact CE2-OG 3.25Å; F116-S145 WeakPolarHBondContact CE2-OG 3.45Å; V141-S145 WeakPolarHBondContact CG1-OG 3.31Å; V141-S145 VanDerWaalsContact O-CB 3.27Å; V141-S145 WeakPolarHBondContact O-CB 3.5Å; V141-S145 PolarHBondContact O-N 3.22Å; V141-S145 PolarHBondContact O-OG 2.93Å; S145-S188 VanDerWaalsContact O-CB 3.25Å; S145-S188 WeakPolarHBondContact O-CB 3.47Å; S145-S188 PolarHBondContact O-OG 2.89Å |
| 146 | M | 94.1 | Very high | 93.4 | Very high | 10 Ų | 10 | 49.6 Ų | 49.6 | 5% | 0.049 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -137.3 | 90.4 | 175.5 | -73 | -174.6 | 53.9 | 0 | 0 | 108.6 | V118 F120 N126 F171 M186 | V118-M146 HydrophobicContact CB-SD 4.42Å; V118-M146 HydrophobicContact CG1-CG 4.22Å; V118-M146 HydrophobicContact CG1-SD 3.74Å; F120-M146 HydrophobicContact CB-CE 3.89Å; N126-M146 WeakPolarHBondContact ND2-CB 3.37Å; N126-M146 PolarHBondContact ND2-O 3.31Å; M146-F171 HydrophobicContact CE-CD2 4.38Å; M146-F171 HydrophobicContact CE-CE2 3.83Å; M146-F171 HydrophobicContact CG-CD2 3.89Å; M146-F171 HydrophobicContact CG-CE2 4.27Å; M146-F171 HydrophobicContact SD-CD2 4.42Å; M146-F171 HydrophobicContact SD-CE2 4.41Å; M146-M186 HydrophobicContact CE-CB 3.92Å |
| 147 | A | 93.3 | Very high | 93.6 | Very high | 7 Ų | 7 | 48.8 Ų | 48.8 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | trans | -65.8 | 156.4 | -175 | 0 | 0 | 0 | 0 | 0 | 113 | G149 S150 I158 I302 Y335 T355 | A147-G149 PolarHBondContact O-N 3.48Å; A147-S150 PolarHBondContact N-OG 2.92Å; A147-S150 WeakPolarHBondContact O-CB 3.37Å; A147-S150 PolarHBondContact O-N 3.2Å; A147-S150 VanDerWaalsContact O-N 3.08Å; A147-S150 PolarHBondContact O-OG 3.06Å; A147-S150 VanDerWaalsContact O-OG 3.09Å; A147-I158 HydrophobicContact CB-CD1 3.88Å; A147-I302 HydrophobicContact CB-CG1 4.43Å; A147-Y335 WeakPolarHBondContact CA-OH 3.41Å; A147-Y335 HydrophobicContact CB-CE1 3.93Å; A147-Y335 HydrophobicContact CB-CE2 3.97Å; A147-Y335 VanDerWaalsContact CB-CZ 3.5Å; A147-Y335 WeakPolarHBondContact CB-OH 3.41Å; A147-T355 HydrophobicContact CB-CG2 4.15Å | ||
| 148 | S | 92.4 | Very high | 93.8 | Very high | 73 Ų | 73 | 44.4 Ų | 44.4 | 51% | 0.51 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 126.5 | 171.6 | -170.6 | 0 | 0 | 0 | 0 | 109.8 | P300 T355 | S148-P300 WeakPolarHBondContact O-CG 3.44Å; S148-T355 WeakPolarHBondContact O-CB 3.49Å; S148-T355 WeakPolarHBondContact O-CG2 3.48Å; S148-T355 PolarHBondContact O-OG1 2.97Å |
| 149 | G | 91.9 | Very high | 93.9 | Very high | 15 Ų | 15 | 44 Ų | 44 | 16% | 0.155 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95 | -8.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | A147 H151 R152 | A147-G149 PolarHBondContact O-N 3.48Å; G149-H151 PolarHBondContact O-N 2.96Å; G149-R152 WeakPolarHBondContact O-CB 3.18Å; G149-R152 WeakPolarHBondContact O-CG 2.93Å; G149-R152 PolarHBondContact O-N 2.93Å |
| 150 | S | 92.2 | Very high | 94.1 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -59.4 | -21.4 | -176.9 | -67.3 | 0 | 0 | 0 | 0 | 114.6 | A147 R152 I153 F171 | A147-S150 PolarHBondContact N-OG 2.92Å; A147-S150 WeakPolarHBondContact O-CB 3.37Å; A147-S150 PolarHBondContact O-N 3.2Å; A147-S150 VanDerWaalsContact O-N 3.08Å; A147-S150 PolarHBondContact O-OG 3.06Å; A147-S150 VanDerWaalsContact O-OG 3.09Å; S150-R152 PolarHBondContact O-N 2.73Å; S150-R152 VanDerWaalsContact O-N 3.09Å; S150-I153 VanDerWaalsContact O-CG1 3.25Å; S150-I153 WeakPolarHBondContact O-CG1 3.39Å; S150-I153 PolarHBondContact O-N 3.47Å; S150-F171 WeakPolarHBondContact O-CE1 3.42Å; S150-F171 WeakPolarHBondContact O-CZ 3.45Å |
| 151 | H | 91 | Very high | 94.2 | Very high | 110 Ų | 110 | 40.2 Ų | 40.2 | 51% | 0.509 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -59.6 | -17.2 | 172.6 | 63.8 | -96.7 | 0 | 0 | 0 | 114.5 | G149 N173 M186 | G149-H151 PolarHBondContact O-N 2.96Å; H151-N173 PolarHBondContact O-ND2 3.38Å; H151-M186 HydrophobicContact CB-CE 4.41Å; H151-M186 HydrophobicContact CB-SD 3.78Å |
| 152 | R | 92.6 | Very high | 94 | Very high | 208 Ų | 208 | 42.1 Ų | 42.1 | 79% | 0.785 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -85.7 | -10.5 | -180 | -57.5 | -175.5 | 179.4 | -169.7 | -2.2 | 113.9 | G149 S150 | G149-R152 WeakPolarHBondContact O-CB 3.18Å; G149-R152 WeakPolarHBondContact O-CG 2.93Å; G149-R152 PolarHBondContact O-N 2.93Å; S150-R152 PolarHBondContact O-N 2.73Å; S150-R152 VanDerWaalsContact O-N 3.09Å |
| 153 | I | 93.9 | Very high | 93.6 | Very high | 35 Ų | 35 | 43.3 Ų | 43.3 | 18% | 0.179 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -122.2 | 158.5 | -176.8 | 57.9 | 174.2 | 0 | 0 | 0 | 110.6 | S150 D156 F171 N173 P300 P301 | S150-I153 VanDerWaalsContact O-CG1 3.25Å; S150-I153 WeakPolarHBondContact O-CG1 3.39Å; S150-I153 PolarHBondContact O-N 3.47Å; I153-D156 HydrophobicContact CD1-CB 3.71Å; I153-F171 HydrophobicContact CG1-CE1 4.2Å; I153-N173 VanDerWaalsContact O-CB 3.31Å; I153-N173 WeakPolarHBondContact O-CB 3.47Å; I153-N173 PolarHBondContact O-ND2 3.45Å; I153-P300 HydrophobicContact CD1-CB 3.6Å; I153-P300 HydrophobicContact CG1-CB 4.41Å; I153-P301 HydrophobicContact CD1-CB 4.14Å |
| 154 | T | 94.9 | Very high | 93.3 | Very high | 106 Ų | 106 | 43 Ų | 43 | 65% | 0.65 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -87 | -29.6 | -178.2 | 49.1 | 0 | 0 | 0 | 0 | 113 | A172 N173 | T154-A172 CarbonylContact O-C 3.57Å; T154-A172 WeakPolarHBondContact O-CA 3.22Å; T154-N173 PolarHBondContact O-N 3.45Å |
| 155 | S | 95.2 | Very high | 93.1 | Very high | 51 Ų | 51 | 44.7 Ų | 44.7 | 36% | 0.357 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 153.7 | 176.2 | 55.8 | 0 | 0 | 0 | 0 | 112 | F171 | S155-F171 WeakPolarHBondContact CA-O 3.22Å; S155-F171 WeakPolarHBondContact CB-O 3.47Å |
| 156 | D | 95.4 | Very high | 93 | Very high | 12 Ų | 12 | 45.2 Ų | 45.2 | 6% | 0.064 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 169 | 174.3 | -155.7 | -4.2 | 0 | 0 | 0 | 109.5 | I153 C170 F171 P301 I302 G303 | I153-D156 HydrophobicContact CD1-CB 3.71Å; D156-C170 CarbonylContact O-C 3.59Å; D156-C170 WeakPolarHBondContact O-CA 3.43Å; D156-F171 HydrophobicContact CB-CB 4.21Å; D156-F171 HydrophobicContact CB-CD1 4.2Å; D156-F171 PolarHBondContact N-O 3.2Å; D156-F171 PolarHBondContact O-N 3.2Å; D156-P301 WeakPolarHBondContact OD1-CB 3.42Å; D156-P301 WeakPolarHBondContact OD2-CA 3.18Å; D156-I302 PolarHBondContact OD1-N 3.29Å; D156-I302 PolarHBondContact OD2-N 3.13Å; D156-G303 PolarHBondContact OD1-N 2.86Å; D156-G303 VanDerWaalsContact OD1-N 3.07Å |
| 157 | F | 94.8 | Very high | 93 | Very high | 21 Ų | 21 | 44.8 Ų | 44.8 | 9% | 0.092 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 147.2 | 161.6 | 64.1 | -86.2 | 0 | 0 | 0 | 108.8 | Y159 L168 A169 M203 I263 G303 | F157-Y159 HydrophobicContact CD2-CD2 4.13Å; F157-Y159 AromaticContact CD2-CE2 3.92Å; F157-Y159 HydrophobicContact CD2-CE2 3.92Å; F157-Y159 HydrophobicContact CE2-CD2 4.32Å; F157-Y159 HydrophobicContact CE2-CE2 4.03Å; F157-L168 HydrophobicContact CB-CD1 4.27Å; F157-L168 HydrophobicContact CD2-CD1 4.3Å; F157-A169 CarbonylContact C-O 3.57Å; F157-A169 VanDerWaalsContact CA-O 3.26Å; F157-A169 WeakPolarHBondContact CA-O 3.3Å; F157-M203 HydrophobicContact CD1-SD 4.1Å; F157-M203 HydrophobicContact CD2-SD 4.01Å; F157-M203 HydrophobicContact CE1-SD 4.31Å; F157-M203 HydrophobicContact CE2-SD 4.22Å; F157-M203 HydrophobicContact CG-SD 3.95Å; F157-M203 HydrophobicContact CZ-SD 4.37Å; F157-I263 HydrophobicContact CE2-CD1 4.09Å; F157-I263 HydrophobicContact CE2-CG1 4.22Å; F157-I263 HydrophobicContact CZ-CD1 3.55Å; F157-I263 HydrophobicContact CZ-CG1 3.7Å; F157-I263 HydrophobicContact CZ-CG2 4.29Å; F157-G303 VanDerWaalsContact CE2-C 3.48Å; F157-G303 WeakPolarHBondContact CE2-O 3.45Å; F157-G303 VanDerWaalsContact CZ-C 3.41Å; F157-G303 VanDerWaalsContact CZ-CA 3.48Å; F157-G303 WeakPolarHBondContact O-CA 3.41Å; F157-G303 PolarHBondContact O-N 3.37Å |
| 158 | I | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 123.4 | -173.2 | -53.7 | 177.2 | 0 | 0 | 0 | 108.4 | K144 A147 F160 L168 A169 I302 Y335 | K144-I158 WeakPolarHBondContact O-CG2 3.33Å; A147-I158 HydrophobicContact CB-CD1 3.88Å; I158-F160 HydrophobicContact CG2-CD1 4.44Å; I158-L168 WeakPolarHBondContact O-CA 3.15Å; I158-A169 PolarHBondContact N-O 2.92Å; I158-A169 PolarHBondContact O-N 3.47Å; I158-I302 HydrophobicContact CG1-CB 4.43Å; I158-I302 HydrophobicContact CG1-CG2 4.44Å; I158-I302 HydrophobicContact CG2-CG2 4.13Å; I158-Y335 VanDerWaalsContact CG2-CB 3.5Å; I158-Y335 HydrophobicContact CG2-CD1 3.92Å; I158-Y335 HydrophobicContact CG2-CG 3.86Å |
| 159 | Y | 95.8 | Very high | 93.4 | Very high | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 142.5 | 163.4 | -73.2 | -104.4 | 0 | 0 | 0 | 108.9 | F157 G167 L168 L199 Y200 M261 C306 F334 Y335 | F157-Y159 HydrophobicContact CD2-CD2 4.13Å; F157-Y159 AromaticContact CD2-CE2 3.92Å; F157-Y159 HydrophobicContact CD2-CE2 3.92Å; F157-Y159 HydrophobicContact CE2-CD2 4.32Å; F157-Y159 HydrophobicContact CE2-CE2 4.03Å; Y159-G167 VanDerWaalsContact CA-O 3.29Å; Y159-G167 WeakPolarHBondContact CA-O 3.48Å; Y159-L168 HydrophobicContact CD2-CD1 3.84Å; Y159-L168 HydrophobicContact CE1-CB 4.4Å; Y159-L168 HydrophobicContact CE1-CD1 4.39Å; Y159-L168 HydrophobicContact CE2-CD1 3.58Å; Y159-L168 HydrophobicContact CG-CD1 4.34Å; Y159-L199 HydrophobicContact CD1-CD1 4.2Å; Y159-L199 HydrophobicContact CE1-CB 3.83Å; Y159-L199 HydrophobicContact CE1-CD1 4.11Å; Y159-Y200 WeakPolarHBondContact OH-CA 3.47Å; Y159-Y200 PolarHBondContact OH-N 3.03Å; Y159-M261 HydrophobicContact CD1-SD 4.38Å; Y159-M261 HydrophobicContact CE1-SD 3.82Å; Y159-M261 HydrophobicContact CE2-SD 4.05Å; Y159-C306 HydrophobicContact CD2-CB 4.27Å; Y159-C306 PolarHBondContact O-SG 3.45Å; Y159-C306 VanDerWaalsContact O-SG 3.42Å; Y159-F334 VanDerWaalsContact C-CB 3.44Å; Y159-F334 HydrophobicContact CD1-CE2 4.49Å; Y159-F334 HydrophobicContact CD1-CZ 4.37Å; Y159-F334 HydrophobicContact CG-CD1 4.39Å; Y159-F334 HydrophobicContact CG-CE1 4.45Å; Y159-F334 WeakPolarHBondContact O-CB 3.08Å; Y159-Y335 VanDerWaalsContact O-CB 3.31Å; Y159-Y335 WeakPolarHBondContact O-CB 3.43Å; Y159-Y335 PolarHBondContact O-N 3.04Å |
| 160 | F | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 165.3 | 177.6 | 60.7 | -95.7 | 0 | 0 | 0 | 111.4 | F116 V141 K144 I158 K162 F166 G167 A169 L192 | F116-F160 HydrophobicContact CE1-CZ 4.38Å; F116-F160 HydrophobicContact CZ-CE1 4.34Å; F116-F160 AromaticContact CZ-CZ 3.86Å; F116-F160 HydrophobicContact CZ-CZ 3.86Å; V141-F160 HydrophobicContact CG1-CE2 4.31Å; V141-F160 HydrophobicContact CG1-CZ 3.87Å; V141-F160 HydrophobicContact CG2-CE2 4.34Å; K144-F160 HydrophobicContact CB-CB 4.08Å; K144-F160 HydrophobicContact CB-CD1 3.97Å; K144-F160 HydrophobicContact CB-CD2 3.92Å; K144-F160 HydrophobicContact CB-CE1 4.36Å; K144-F160 HydrophobicContact CB-CE2 4.31Å; K144-F160 HydrophobicContact CB-CG 3.73Å; K144-F160 HydrophobicContact CD-CB 4.22Å; K144-F160 HydrophobicContact CD-CD2 3.65Å; K144-F160 HydrophobicContact CD-CE2 4.27Å; K144-F160 HydrophobicContact CD-CG 4.1Å; K144-F160 HydrophobicContact CG-CB 4.39Å; K144-F160 HydrophobicContact CG-CD2 4.36Å; K144-F160 HydrophobicContact CG-CG 4.38Å; I158-F160 HydrophobicContact CG2-CD1 4.44Å; F160-K162 HydrophobicContact CE2-CB 4.3Å; F160-F166 WeakPolarHBondContact O-CA 3.35Å; F160-G167 PolarHBondContact N-O 3.11Å; F160-G167 PolarHBondContact O-N 3.04Å; F160-A169 HydrophobicContact CE1-CB 4.06Å; F160-L192 HydrophobicContact CE2-CD2 3.81Å; F160-L192 HydrophobicContact CZ-CD2 4.01Å |
| 161 | R | 93.3 | Very high | 93.9 | Very high | 48 Ų | 48 | 40.2 Ų | 40.2 | 18% | 0.181 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 138.4 | 170.6 | -170.6 | 174.9 | 168.7 | -156.4 | -7.4 | 111.3 | K144 G163 F333 E347 | K144-R161 WeakPolarHBondContact CE-O 3.33Å; K144-R161 PolarHBondContact NZ-O 2.89Å; R161-G163 PolarHBondContact NE-O 2.87Å; R161-G163 PolarHBondContact NH2-O 3.21Å; R161-F333 PolarHBondContact N-O 3.21Å; R161-E347 IonicContact CZ-OE1 2.75Å; R161-E347 IonicContact NH1-OE1 3.82Å; R161-E347 PolarHBondContact NH1-OE1 3Å; R161-E347 IonicContact NH2-OE1 2.7Å; R161-E347 PolarHBondContact NH2-OE1 3.3Å |
| 162 | K | 91.4 | Very high | 94.2 | Very high | 40 Ų | 40 | 35.2 Ų | 35.2 | 17% | 0.174 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 93.6 | 171.1 | 171.6 | 64.8 | 176.5 | 179.4 | 0 | 108.1 | N137 D139 V141 F160 K164 Y165 L192 | N137-K162 VanDerWaalsContact O-CE 3.3Å; N137-K162 WeakPolarHBondContact O-CE 3.32Å; N137-K162 WeakPolarHBondContact OD1-CE 3.32Å; N137-K162 PolarHBondContact OD1-NZ 2.81Å; D139-K162 PolarHBondContact O-NZ 2.77Å; V141-K162 HydrophobicContact CG2-CD 4.06Å; V141-K162 HydrophobicContact CG2-CG 4.1Å; F160-K162 HydrophobicContact CE2-CB 4.3Å; K162-K164 PolarHBondContact O-N 2.94Å; K162-K164 VanDerWaalsContact O-N 3.14Å; K162-Y165 PolarHBondContact N-O 2.98Å; K162-Y165 PolarHBondContact O-N 2.73Å; K162-L192 HydrophobicContact CG-CD1 4.42Å |
| 163 | G | 87.6 | Confident | 94.3 | Very high | 57 Ų | 57 | 26.8 Ų | 26.8 | 59% | 0.588 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | -111.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R161 | R161-G163 PolarHBondContact NE-O 2.87Å; R161-G163 PolarHBondContact NH2-O 3.21Å |
| 164 | K | 86.1 | Confident | 94.3 | Very high | 93 Ų | 93 | 27 Ų | 27 | 40% | 0.404 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 1.7 | 177.2 | 70.7 | 177 | -173.2 | 174.1 | 0 | 114.4 | K162 | K162-K164 PolarHBondContact O-N 2.94Å; K162-K164 VanDerWaalsContact O-N 3.14Å |
| 165 | Y | 91.4 | Very high | 94 | Very high | 46 Ų | 46 | 27.2 Ų | 27.2 | 18% | 0.18 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 153 | -178.2 | -55.9 | -62.1 | 0 | 0 | 0 | 111.2 | V113 K162 S193 P194 | V113-Y165 HydrophobicContact CB-CE1 4.43Å; V113-Y165 HydrophobicContact CG1-CD1 4.49Å; V113-Y165 HydrophobicContact CG1-CD2 4.43Å; V113-Y165 HydrophobicContact CG1-CE1 4.13Å; V113-Y165 HydrophobicContact CG1-CE2 4.04Å; V113-Y165 HydrophobicContact CG2-CD1 3.89Å; V113-Y165 HydrophobicContact CG2-CE1 3.65Å; K162-Y165 PolarHBondContact N-O 2.98Å; K162-Y165 PolarHBondContact O-N 2.73Å; Y165-S193 WeakPolarHBondContact CA-O 3.31Å; Y165-P194 HydrophobicContact CE1-CG 4.49Å |
| 166 | F | 93.1 | Very high | 93.6 | Very high | 12 Ų | 12 | 25.9 Ų | 25.9 | 5% | 0.053 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 138.7 | 171.6 | -61.5 | -87 | 0 | 0 | 0 | 109.2 | F160 L192 S193 Y196 L199 W248 F334 | F160-F166 WeakPolarHBondContact O-CA 3.35Å; F166-L192 CarbonylContact O-C 3.59Å; F166-L192 WeakPolarHBondContact O-CA 3.28Å; F166-S193 PolarHBondContact N-O 3.19Å; F166-S193 PolarHBondContact O-N 3.46Å; F166-Y196 AromaticContact CD1-CD1 3.88Å; F166-Y196 HydrophobicContact CD1-CD1 3.88Å; F166-Y196 HydrophobicContact CD1-CG 4.32Å; F166-Y196 HydrophobicContact CD2-CD1 4.19Å; F166-Y196 AromaticContact CE1-CD1 3.72Å; F166-Y196 HydrophobicContact CE1-CD1 3.72Å; F166-Y196 HydrophobicContact CE1-CE1 4.43Å; F166-Y196 HydrophobicContact CE2-CD1 4.07Å; F166-Y196 HydrophobicContact CG-CD1 4.1Å; F166-Y196 HydrophobicContact CG-CG 4.43Å; F166-Y196 AromaticContact CZ-CD1 3.83Å; F166-Y196 HydrophobicContact CZ-CD1 3.83Å; F166-Y196 HydrophobicContact CZ-CE1 4.37Å; F166-L199 HydrophobicContact CB-CD1 4.04Å; F166-W248 AromaticContact CE2-CH2 3.6Å; F166-W248 HydrophobicContact CE2-CH2 3.6Å; F166-W248 HydrophobicContact CE2-CZ3 4.2Å; F166-W248 AromaticContact CZ-CH2 3.99Å; F166-W248 HydrophobicContact CZ-CH2 3.99Å; F166-W248 HydrophobicContact CZ-CZ3 4.16Å; F166-F334 HydrophobicContact CD1-CD2 4.28Å; F166-F334 AromaticContact CD1-CE2 3.98Å; F166-F334 HydrophobicContact CD1-CE2 3.98Å; F166-F334 HydrophobicContact CE1-CE2 4.32Å |
| 167 | G | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 146.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y159 F160 I191 | Y159-G167 VanDerWaalsContact CA-O 3.29Å; Y159-G167 WeakPolarHBondContact CA-O 3.48Å; F160-G167 PolarHBondContact N-O 3.11Å; F160-G167 PolarHBondContact O-N 3.04Å; G167-I191 WeakPolarHBondContact CA-O 3.3Å |
| 168 | L | 96.3 | Very high | 92 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 126.2 | 162.2 | 169.8 | 63.6 | 0 | 0 | 0 | 107.5 | F157 I158 Y159 G190 I191 L199 M203 L206 | F157-L168 HydrophobicContact CB-CD1 4.27Å; F157-L168 HydrophobicContact CD2-CD1 4.3Å; I158-L168 WeakPolarHBondContact O-CA 3.15Å; Y159-L168 HydrophobicContact CD2-CD1 3.84Å; Y159-L168 HydrophobicContact CE1-CB 4.4Å; Y159-L168 HydrophobicContact CE1-CD1 4.39Å; Y159-L168 HydrophobicContact CE2-CD1 3.58Å; Y159-L168 HydrophobicContact CG-CD1 4.34Å; L168-G190 CarbonylContact O-C 3.54Å; L168-G190 WeakPolarHBondContact O-CA 3.12Å; L168-I191 HydrophobicContact CB-CG1 4.34Å; L168-I191 PolarHBondContact N-O 3.33Å; L168-I191 VanDerWaalsContact N-O 3.08Å; L168-I191 PolarHBondContact O-N 3.11Å; L168-L199 HydrophobicContact CB-CB 4Å; L168-L199 HydrophobicContact CB-CD1 3.99Å; L168-L199 HydrophobicContact CB-CD2 4.32Å; L168-L199 HydrophobicContact CB-CG 4.35Å; L168-L199 HydrophobicContact CD2-CB 4.11Å; L168-L199 WeakPolarHBondContact CD2-O 3.39Å; L168-M203 HydrophobicContact CD2-CB 4.13Å; L168-L206 HydrophobicContact CD2-CD1 4.02Å; L168-L206 HydrophobicContact CG-CD1 4.01Å |
| 169 | A | 97.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 138.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F116 F157 I158 F160 V189 | F116-A169 HydrophobicContact CE2-CB 4.28Å; F116-A169 HydrophobicContact CZ-CB 4.27Å; F157-A169 CarbonylContact C-O 3.57Å; F157-A169 VanDerWaalsContact CA-O 3.26Å; F157-A169 WeakPolarHBondContact CA-O 3.3Å; I158-A169 PolarHBondContact N-O 2.92Å; I158-A169 PolarHBondContact O-N 3.47Å; F160-A169 HydrophobicContact CE1-CB 4.06Å; A169-V189 CarbonylContact C-O 3.57Å; A169-V189 WeakPolarHBondContact CA-O 3.35Å |
| 170 | C | 97.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 120.1 | 174.5 | -65.6 | 0 | 0 | 0 | 0 | 109.3 | D156 S188 V189 L206 E207 V210 | D156-C170 CarbonylContact O-C 3.59Å; D156-C170 WeakPolarHBondContact O-CA 3.43Å; C170-S188 CarbonylContact O-C 3.57Å; C170-S188 VanDerWaalsContact O-CA 3.29Å; C170-S188 WeakPolarHBondContact O-CA 3.19Å; C170-S188 PolarHBondContact O-OG 3.34Å; C170-V189 PolarHBondContact N-O 3.35Å; C170-V189 PolarHBondContact O-N 3.02Å; C170-L206 HydrophobicContact CB-CB 3.9Å; C170-E207 HydrophobicContact CB-CG 4.21Å; C170-V210 HydrophobicContact CB-CG1 4.31Å; C170-V210 WeakPolarHBondContact O-CB 3.43Å; C170-V210 WeakPolarHBondContact O-CG2 3.27Å |
| 171 | F | 97.4 | Very high | 88.8 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.009 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 143.3 | -179.8 | 169.4 | -102.7 | 0 | 0 | 0 | 110.8 | M146 S150 I153 S155 D156 N173 M186 K187 | M146-F171 HydrophobicContact CE-CD2 4.38Å; M146-F171 HydrophobicContact CE-CE2 3.83Å; M146-F171 HydrophobicContact CG-CD2 3.89Å; M146-F171 HydrophobicContact CG-CE2 4.27Å; M146-F171 HydrophobicContact SD-CD2 4.42Å; M146-F171 HydrophobicContact SD-CE2 4.41Å; S150-F171 WeakPolarHBondContact O-CE1 3.42Å; S150-F171 WeakPolarHBondContact O-CZ 3.45Å; I153-F171 HydrophobicContact CG1-CE1 4.2Å; S155-F171 WeakPolarHBondContact CA-O 3.22Å; S155-F171 WeakPolarHBondContact CB-O 3.47Å; D156-F171 HydrophobicContact CB-CB 4.21Å; D156-F171 HydrophobicContact CB-CD1 4.2Å; D156-F171 PolarHBondContact N-O 3.2Å; D156-F171 PolarHBondContact O-N 3.2Å; F171-N173 HydrophobicContact CE1-CB 3.98Å; F171-N173 HydrophobicContact CZ-CB 3.79Å; F171-M186 HydrophobicContact CE2-CB 3.99Å; F171-M186 HydrophobicContact CE2-CG 4.21Å; F171-M186 HydrophobicContact CZ-CB 4.36Å; F171-M186 HydrophobicContact CZ-CG 4.07Å; F171-M186 HydrophobicContact CZ-SD 4.23Å; F171-K187 WeakPolarHBondContact CA-O 3.41Å; F171-K187 VanDerWaalsContact CD2-O 3.3Å; F171-K187 WeakPolarHBondContact CD2-O 3.34Å |
| 172 | A | 96.9 | Very high | 88 | Confident | 5 Ų | 5 | 61.9 Ų | 61.9 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 151.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T154 K187 V210 L214 | T154-A172 CarbonylContact O-C 3.57Å; T154-A172 WeakPolarHBondContact O-CA 3.22Å; A172-K187 PolarHBondContact N-O 2.84Å; A172-K187 PolarHBondContact O-N 2.66Å; A172-K187 VanDerWaalsContact O-O 3.13Å; A172-V210 HydrophobicContact CB-CB 4.49Å; A172-V210 HydrophobicContact CB-CG1 3.79Å; A172-V210 HydrophobicContact CB-CG2 3.94Å; A172-L214 HydrophobicContact CB-CD1 3.54Å |
| 173 | N | 95 | Very high | 87.5 | Confident | 30 Ų | 30 | 61.7 Ų | 61.7 | 16% | 0.16 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 130.1 | -178 | 179.8 | 13.3 | 0 | 0 | 0 | 109 | H151 I153 T154 F171 R185 M186 | H151-N173 PolarHBondContact O-ND2 3.38Å; I153-N173 VanDerWaalsContact O-CB 3.31Å; I153-N173 WeakPolarHBondContact O-CB 3.47Å; I153-N173 PolarHBondContact O-ND2 3.45Å; T154-N173 PolarHBondContact O-N 3.45Å; F171-N173 HydrophobicContact CE1-CB 3.98Å; F171-N173 HydrophobicContact CZ-CB 3.79Å; N173-R185 WeakPolarHBondContact CA-O 3.21Å; N173-M186 HydrophobicContact CB-CG 3.92Å; N173-M186 WeakPolarHBondContact OD1-CG 3.35Å |
| 174 | M | 92.9 | Very high | 87.5 | Confident | 40 Ų | 40 | 60.5 Ų | 60.5 | 20% | 0.197 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 129.8 | -179.9 | -179.5 | -177.4 | 78.4 | 0 | 0 | 109.8 | V176 R185 L214 H215 | M174-V176 HydrophobicContact CE-CG1 3.67Å; M174-R185 PolarHBondContact N-O 3.48Å; M174-R185 PolarHBondContact O-N 2.82Å; M174-L214 HydrophobicContact CB-CD1 4.02Å; M174-L214 HydrophobicContact CE-CB 4.35Å; M174-L214 HydrophobicContact SD-CB 4.38Å; M174-H215 PolarHBondContact SD-CE1 3.23Å |
| 175 | P | 89.5 | Confident | 87.7 | Confident | 110 Ų | 110 | 58.6 Ų | 58.6 | 71% | 0.714 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 141.5 | 172.4 | 28.7 | -34.3 | 0 | 0 | 0 | 110.4 | G183 | P175-G183 CarbonylContact C-O 3.58Å; P175-G183 VanDerWaalsContact CA-O 3.32Å; P175-G183 WeakPolarHBondContact CA-O 3.44Å |
| 176 | V | 87.5 | Confident | 87.9 | Confident | 23 Ų | 23 | 57.3 Ų | 57.3 | 14% | 0.139 | 29% | 0.293 | C | S | . | . | trans | -136.5 | 140.5 | -178.7 | -72 | 0 | 0 | 0 | 0 | 111.1 | M174 S178 E181 G183 R185 | M174-V176 HydrophobicContact CE-CG1 3.67Å; V176-S178 PolarHBondContact O-N 3.22Å; V176-E181 HydrophobicContact CG2-CB 3.83Å; V176-G183 PolarHBondContact N-O 2.87Å; V176-G183 CarbonylContact O-C 3.53Å; V176-G183 VanDerWaalsContact O-CA 3.24Å; V176-G183 WeakPolarHBondContact O-CA 3.39Å; V176-R185 HydrophobicContact CG1-CB 3.76Å; V176-R185 HydrophobicContact CG2-CB 4.19Å | ||
| 177 | E | 79.6 | Confident | 88.1 | Confident | 214 Ų | 214 | 57 Ų | 57 | 100% | 1 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -79.9 | 65.4 | 173.9 | -63.8 | -176.6 | 175.8 | 0 | 0 | 110.4 | ||
| 178 | S | 76.3 | Confident | 88.2 | Confident | 33 Ų | 33 | 57 Ų | 57 | 23% | 0.231 | 29% | 0.292 | C | S | . | . | trans | -142.3 | 117.1 | -178 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | V176 L180 E181 R182 G183 | V176-S178 PolarHBondContact O-N 3.22Å; S178-L180 VanDerWaalsContact C-N 3.29Å; S178-L180 PolarHBondContact O-N 3.12Å; S178-E181 CarbonylContact O-C 3.58Å; S178-E181 PolarHBondContact O-N 2.92Å; S178-E181 PolarHBondContact OG-N 3.17Å; S178-R182 PolarHBondContact O-N 2.95Å; S178-G183 PolarHBondContact O-N 3.41Å | ||
| 179 | E | 70.6 | Confident | 88.3 | Confident | 192 Ų | 192 | 57 Ų | 57 | 90% | 0.897 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -34.6 | 174.3 | -64 | -171.7 | 159.3 | 0 | 0 | 111.8 | E181 R182 | E179-E181 VanDerWaalsContact C-N 3.3Å; E179-E181 PolarHBondContact O-N 2.64Å; E179-R182 PolarHBondContact O-N 2.95Å; E179-R182 VanDerWaalsContact O-N 3.1Å |
| 180 | L | 73.8 | Confident | 88.3 | Confident | 148 Ų | 148 | 57 Ų | 57 | 78% | 0.775 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -36.8 | 178.1 | -62.8 | 175.9 | 0 | 0 | 0 | 112 | T122 S178 R182 | T122-L180 WeakPolarHBondContact CG2-O 3.35Å; T122-L180 PolarHBondContact OG1-O 3.37Å; T122-L180 VanDerWaalsContact OG1-O 3.14Å; S178-L180 VanDerWaalsContact C-N 3.29Å; S178-L180 PolarHBondContact O-N 3.12Å; L180-R182 VanDerWaalsContact C-N 3.33Å |
| 181 | E | 75.7 | Confident | 88.3 | Confident | 58 Ų | 58 | 56.9 Ų | 56.9 | 27% | 0.271 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 10.8 | 177.1 | -61.6 | 177.9 | -139.6 | 0 | 0 | 112.2 | V176 S178 E179 G183 A184 R185 | V176-E181 HydrophobicContact CG2-CB 3.83Å; S178-E181 CarbonylContact O-C 3.58Å; S178-E181 PolarHBondContact O-N 2.92Å; S178-E181 PolarHBondContact OG-N 3.17Å; E179-E181 VanDerWaalsContact C-N 3.3Å; E179-E181 PolarHBondContact O-N 2.64Å; E181-G183 PolarHBondContact O-N 3.42Å; E181-G183 VanDerWaalsContact O-N 3.1Å; E181-A184 PolarHBondContact O-N 3.48Å; E181-A184 VanDerWaalsContact O-N 3.12Å; E181-A184 VanDerWaalsContact O-O 3.1Å; E181-R185 IonicContact OE1-CZ 3.37Å; E181-R185 IonicContact OE1-NE 2.87Å; E181-R185 IonicContact OE1-NH2 3.18Å; E181-R185 PolarHBondContact OE1-NH2 3.46Å; E181-R185 WeakPolarHBondContact OE2-CB 3.41Å; E181-R185 IonicContact OE2-CZ 3.45Å; E181-R185 IonicContact OE2-NE 3.63Å; E181-R185 PolarHBondContact OE2-NE 3.38Å; E181-R185 IonicContact OE2-NH2 3.06Å; E181-R185 PolarHBondContact OE2-NH2 3.29Å |
| 182 | R | 76.9 | Confident | 88.2 | Confident | 196 Ų | 196 | 56.9 Ų | 56.9 | 74% | 0.74 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 33.2 | 178.6 | -71.2 | -179.7 | 152.7 | -178.6 | -6.3 | 114.6 | T122 S178 E179 L180 A184 | T122-R182 HydrophobicContact CG2-CB 4.32Å; T122-R182 HydrophobicContact CG2-CG 4.02Å; S178-R182 PolarHBondContact O-N 2.95Å; E179-R182 PolarHBondContact O-N 2.95Å; E179-R182 VanDerWaalsContact O-N 3.1Å; L180-R182 VanDerWaalsContact C-N 3.33Å; R182-A184 VanDerWaalsContact C-N 3.32Å; R182-A184 PolarHBondContact O-N 2.8Å |
| 183 | G | 81 | Confident | 88 | Confident | 36 Ų | 36 | 57 Ų | 57 | 37% | 0.371 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | -3.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116 | P175 V176 S178 E181 | P175-G183 CarbonylContact C-O 3.58Å; P175-G183 VanDerWaalsContact CA-O 3.32Å; P175-G183 WeakPolarHBondContact CA-O 3.44Å; V176-G183 PolarHBondContact N-O 2.87Å; V176-G183 CarbonylContact O-C 3.53Å; V176-G183 VanDerWaalsContact O-CA 3.24Å; V176-G183 WeakPolarHBondContact O-CA 3.39Å; S178-G183 PolarHBondContact O-N 3.41Å; E181-G183 PolarHBondContact O-N 3.42Å; E181-G183 VanDerWaalsContact O-N 3.1Å |
| 184 | A | 86.9 | Confident | 87.6 | Confident | 31 Ų | 31 | 57.5 Ų | 57.5 | 26% | 0.256 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 122.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E181 R182 | E181-A184 PolarHBondContact O-N 3.48Å; E181-A184 VanDerWaalsContact O-N 3.12Å; E181-A184 VanDerWaalsContact O-O 3.1Å; R182-A184 VanDerWaalsContact C-N 3.32Å; R182-A184 PolarHBondContact O-N 2.8Å |
| 185 | R | 91.5 | Very high | 87.2 | Confident | 54 Ų | 54 | 56.1 Ų | 56.1 | 20% | 0.204 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 122.3 | 173.2 | -170.6 | 178.6 | -70.2 | 164.9 | -1.3 | 109.6 | N173 M174 V176 E181 L214 | N173-R185 WeakPolarHBondContact CA-O 3.21Å; M174-R185 PolarHBondContact N-O 3.48Å; M174-R185 PolarHBondContact O-N 2.82Å; V176-R185 HydrophobicContact CG1-CB 3.76Å; V176-R185 HydrophobicContact CG2-CB 4.19Å; E181-R185 IonicContact OE1-CZ 3.37Å; E181-R185 IonicContact OE1-NE 2.87Å; E181-R185 IonicContact OE1-NH2 3.18Å; E181-R185 PolarHBondContact OE1-NH2 3.46Å; E181-R185 WeakPolarHBondContact OE2-CB 3.41Å; E181-R185 IonicContact OE2-CZ 3.45Å; E181-R185 IonicContact OE2-NE 3.63Å; E181-R185 PolarHBondContact OE2-NE 3.38Å; E181-R185 IonicContact OE2-NH2 3.06Å; E181-R185 PolarHBondContact OE2-NH2 3.29Å; R185-L214 HydrophobicContact CB-CD2 4.13Å; R185-L214 WeakPolarHBondContact CD-O 3.3Å; R185-L214 HydrophobicContact CG-CD2 3.66Å; R185-L214 PolarHBondContact NH1-O 3.06Å; R185-L214 WeakPolarHBondContact O-CD2 3.1Å |
| 186 | M | 94.6 | Very high | 87 | Confident | 18 Ų | 18 | 51.6 Ų | 51.6 | 9% | 0.089 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 127.3 | -177.3 | -72.6 | 179.1 | -72.7 | 0 | 0 | 110.2 | F120 M146 H151 F171 N173 | F120-M186 HydrophobicContact CB-CB 4.08Å; F120-M186 HydrophobicContact CB-CE 4.09Å; F120-M186 HydrophobicContact CD1-CE 3.54Å; F120-M186 HydrophobicContact CD2-CE 4.47Å; F120-M186 HydrophobicContact CE1-CE 4.04Å; F120-M186 HydrophobicContact CG-CE 3.78Å; F120-M186 PolarHBondContact N-O 2.69Å; M146-M186 HydrophobicContact CE-CB 3.92Å; H151-M186 HydrophobicContact CB-CE 4.41Å; H151-M186 HydrophobicContact CB-SD 3.78Å; F171-M186 HydrophobicContact CE2-CB 3.99Å; F171-M186 HydrophobicContact CE2-CG 4.21Å; F171-M186 HydrophobicContact CZ-CB 4.36Å; F171-M186 HydrophobicContact CZ-CG 4.07Å; F171-M186 HydrophobicContact CZ-SD 4.23Å; N173-M186 HydrophobicContact CB-CG 3.92Å; N173-M186 WeakPolarHBondContact OD1-CG 3.35Å |
| 187 | K | 96.8 | Very high | 86.7 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 2% | 0.022 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 159.1 | 176 | -71.4 | -165.6 | 176.3 | -153.2 | 0 | 111.2 | V117 V118 E129 F171 A172 V210 Q213 L214 | V117-K187 HydrophobicContact CG1-CD 4.37Å; V118-K187 CarbonylContact O-C 3.57Å; V118-K187 VanDerWaalsContact O-CA 3.28Å; V118-K187 WeakPolarHBondContact O-CA 3.45Å; E129-K187 IonicContact OE1-NZ 2.69Å; E129-K187 PolarHBondContact OE1-NZ 3.16Å; E129-K187 WeakPolarHBondContact OE2-CE 3.26Å; E129-K187 IonicContact OE2-NZ 2.73Å; E129-K187 PolarHBondContact OE2-NZ 3.44Å; F171-K187 WeakPolarHBondContact CA-O 3.41Å; F171-K187 VanDerWaalsContact CD2-O 3.3Å; F171-K187 WeakPolarHBondContact CD2-O 3.34Å; A172-K187 PolarHBondContact N-O 2.84Å; A172-K187 PolarHBondContact O-N 2.66Å; A172-K187 VanDerWaalsContact O-O 3.13Å; K187-V210 HydrophobicContact CB-CG2 4.02Å; K187-V210 VanDerWaalsContact O-CG2 3.27Å; K187-V210 WeakPolarHBondContact O-CG2 3.16Å; K187-Q213 HydrophobicContact CD-CB 3.71Å; K187-L214 HydrophobicContact CB-CD2 3.96Å; K187-L214 HydrophobicContact CB-CG 4.5Å; K187-L214 HydrophobicContact CD-CD2 4.46Å; K187-L214 HydrophobicContact CG-CD2 3.97Å |
| 188 | S | 97.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 133 | 170.8 | -166.8 | 0 | 0 | 0 | 0 | 109.8 | V117 V118 S145 C170 | V117-S188 CarbonylContact C-O 3.57Å; V117-S188 WeakPolarHBondContact CA-O 3.47Å; V118-S188 PolarHBondContact N-O 2.93Å; V118-S188 PolarHBondContact O-N 2.78Å; S145-S188 VanDerWaalsContact O-CB 3.25Å; S145-S188 WeakPolarHBondContact O-CB 3.47Å; S145-S188 PolarHBondContact O-OG 2.89Å; C170-S188 CarbonylContact O-C 3.57Å; C170-S188 VanDerWaalsContact O-CA 3.29Å; C170-S188 WeakPolarHBondContact O-CA 3.19Å; C170-S188 PolarHBondContact O-OG 3.34Å |
| 189 | V | 98.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 127.4 | 178.6 | -179 | 0 | 0 | 0 | 0 | 108.3 | F116 V117 A169 C170 L206 Q209 V210 Q213 L223 | F116-V189 WeakPolarHBondContact O-CA 3.33Å; V117-V189 HydrophobicContact CG1-CG2 4.3Å; V117-V189 HydrophobicContact CG2-CG2 4.13Å; A169-V189 CarbonylContact C-O 3.57Å; A169-V189 WeakPolarHBondContact CA-O 3.35Å; C170-V189 PolarHBondContact N-O 3.35Å; C170-V189 PolarHBondContact O-N 3.02Å; V189-L206 HydrophobicContact CG1-CD2 4.01Å; V189-Q209 HydrophobicContact CG1-CB 4.12Å; V189-V210 HydrophobicContact CB-CB 4.09Å; V189-V210 HydrophobicContact CG2-CB 3.69Å; V189-V210 HydrophobicContact CG2-CG2 4.05Å; V189-Q213 HydrophobicContact CG2-CG 4.09Å; V189-L223 HydrophobicContact CG1-CD1 4.06Å; V189-L223 HydrophobicContact CG1-CD2 3.78Å |
| 190 | G | 97.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 172.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | V115 F116 L168 | V115-G190 CarbonylContact C-O 3.49Å; V115-G190 WeakPolarHBondContact CA-O 3.47Å; F116-G190 WeakPolarHBondContact CD1-O 3.41Å; F116-G190 VanDerWaalsContact CE1-C 3.41Å; F116-G190 VanDerWaalsContact CZ-CA 3.47Å; F116-G190 PolarHBondContact N-O 2.77Å; F116-G190 PolarHBondContact O-N 2.97Å; L168-G190 CarbonylContact O-C 3.54Å; L168-G190 WeakPolarHBondContact O-CA 3.12Å |
| 191 | I | 97.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 153.2 | -174.1 | 61.4 | -179.2 | 0 | 0 | 0 | 110.2 | I112 A114 V115 G167 L168 L199 Y202 L206 F226 | I112-I191 HydrophobicContact CD1-CB 4.39Å; I112-I191 HydrophobicContact CD1-CD1 3.91Å; I112-I191 HydrophobicContact CG2-CB 4.47Å; A114-I191 CarbonylContact O-C 3.56Å; A114-I191 VanDerWaalsContact O-CA 3.26Å; A114-I191 WeakPolarHBondContact O-CA 3.32Å; V115-I191 HydrophobicContact CB-CG2 4.44Å; V115-I191 HydrophobicContact CG1-CG2 4.15Å; V115-I191 HydrophobicContact CG2-CG2 4.06Å; G167-I191 WeakPolarHBondContact CA-O 3.3Å; L168-I191 HydrophobicContact CB-CG1 4.34Å; L168-I191 PolarHBondContact N-O 3.33Å; L168-I191 VanDerWaalsContact N-O 3.08Å; L168-I191 PolarHBondContact O-N 3.11Å; I191-L199 HydrophobicContact CD1-CD2 3.6Å; I191-L199 HydrophobicContact CG1-CD2 3.77Å; I191-Y202 HydrophobicContact CD1-CD2 3.44Å; I191-Y202 VanDerWaalsContact CD1-CD2 3.44Å; I191-Y202 HydrophobicContact CD1-CE2 4.35Å; I191-Y202 HydrophobicContact CD1-CG 3.94Å; I191-L206 HydrophobicContact CD1-CD1 3.95Å; I191-L206 HydrophobicContact CG1-CD1 3.95Å; I191-L206 HydrophobicContact CG2-CD1 4.28Å; I191-L206 HydrophobicContact CG2-CD2 3.71Å; I191-F226 HydrophobicContact CG2-CE1 3.92Å |
| 192 | L | 96 | Very high | 89.6 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 141.9 | 170.4 | -60.7 | -176.2 | 0 | 0 | 0 | 110.8 | V113 A114 F116 L138 F160 K162 F166 | V113-L192 HydrophobicContact CB-CB 4.31Å; V113-L192 PolarHBondContact N-O 3.3Å; A114-L192 HydrophobicContact CB-CB 4.29Å; A114-L192 HydrophobicContact CB-CD1 4.24Å; A114-L192 HydrophobicContact CB-CG 4.34Å; A114-L192 PolarHBondContact O-N 2.79Å; F116-L192 HydrophobicContact CE1-CD2 4.13Å; F116-L192 HydrophobicContact CE1-CG 4.1Å; L138-L192 HydrophobicContact CD2-CD1 3.69Å; F160-L192 HydrophobicContact CE2-CD2 3.81Å; F160-L192 HydrophobicContact CZ-CD2 4.01Å; K162-L192 HydrophobicContact CG-CD1 4.42Å; F166-L192 CarbonylContact O-C 3.59Å; F166-L192 WeakPolarHBondContact O-CA 3.28Å |
| 193 | S | 91.9 | Very high | 90.3 | Very high | 7 Ų | 7 | 21.1 Ų | 21.1 | 5% | 0.049 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 153.2 | 179.3 | 171 | 0 | 0 | 0 | 0 | 110.8 | Y165 F166 S195 | Y165-S193 WeakPolarHBondContact CA-O 3.31Å; F166-S193 PolarHBondContact N-O 3.19Å; F166-S193 PolarHBondContact O-N 3.46Å; S193-S195 VanDerWaalsContact CB-O 3.27Å; S193-S195 WeakPolarHBondContact CB-O 3.45Å; S193-S195 PolarHBondContact O-N 2.88Å; S193-S195 PolarHBondContact OG-N 3.44Å; S193-S195 VanDerWaalsContact OG-N 3.1Å; S193-S195 PolarHBondContact OG-O 2.88Å |
| 194 | P | 87.5 | Confident | 90.8 | Very high | 40 Ų | 40 | 25.2 Ų | 25.2 | 26% | 0.26 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -65.2 | -20.1 | 168.5 | -18.6 | 33.5 | 0 | 0 | 0 | 113.6 | Q111 V113 Y165 | Q111-P194 HydrophobicContact CB-CG 4.27Å; Q111-P194 WeakPolarHBondContact O-CD 3.26Å; V113-P194 HydrophobicContact CG2-CG 4.08Å; Y165-P194 HydrophobicContact CE1-CG 4.49Å |
| 195 | S | 83.4 | Confident | 91.2 | Very high | 12 Ų | 12 | 26.3 Ų | 26.3 | 8% | 0.084 | 12% | 0.119 | C | C | . | . | trans | -132.4 | 138.6 | -178.2 | -173.4 | 0 | 0 | 0 | 0 | 111.3 | E108 S193 T197 | E108-S195 WeakPolarHBondContact OE1-CB 3.26Å; E108-S195 PolarHBondContact OE1-OG 3.28Å; S193-S195 VanDerWaalsContact CB-O 3.27Å; S193-S195 WeakPolarHBondContact CB-O 3.45Å; S193-S195 PolarHBondContact O-N 2.88Å; S193-S195 PolarHBondContact OG-N 3.44Å; S193-S195 VanDerWaalsContact OG-N 3.1Å; S193-S195 PolarHBondContact OG-O 2.88Å; S195-T197 PolarHBondContact OG-N 3.28Å; S195-T197 PolarHBondContact OG-OG1 2.77Å | ||
| 196 | Y | 85.1 | Confident | 91.5 | Very high | 14 Ų | 14 | 23.8 Ų | 23.8 | 6% | 0.055 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -83 | -19.2 | 176.3 | 65.9 | -93.1 | 0 | 0 | 0 | 113.3 | F166 L198 L199 W248 M257 Y310 P332 F334 | F166-Y196 AromaticContact CD1-CD1 3.88Å; F166-Y196 HydrophobicContact CD1-CD1 3.88Å; F166-Y196 HydrophobicContact CD1-CG 4.32Å; F166-Y196 HydrophobicContact CD2-CD1 4.19Å; F166-Y196 AromaticContact CE1-CD1 3.72Å; F166-Y196 HydrophobicContact CE1-CD1 3.72Å; F166-Y196 HydrophobicContact CE1-CE1 4.43Å; F166-Y196 HydrophobicContact CE2-CD1 4.07Å; F166-Y196 HydrophobicContact CG-CD1 4.1Å; F166-Y196 HydrophobicContact CG-CG 4.43Å; F166-Y196 AromaticContact CZ-CD1 3.83Å; F166-Y196 HydrophobicContact CZ-CD1 3.83Å; F166-Y196 HydrophobicContact CZ-CE1 4.37Å; Y196-L198 PolarHBondContact O-N 3.04Å; Y196-L199 PolarHBondContact O-N 2.8Å; Y196-W248 HydrophobicContact CE1-CH2 4.41Å; Y196-M257 VanDerWaalsContact OH-CE 3.24Å; Y196-M257 WeakPolarHBondContact OH-CE 3.49Å; Y196-Y310 HydrophobicContact CE2-CD2 4.15Å; Y196-Y310 HydrophobicContact CE2-CE2 4.32Å; Y196-P332 HydrophobicContact CD1-CG 4.22Å; Y196-P332 HydrophobicContact CE1-CG 3.66Å; Y196-F334 HydrophobicContact CD1-CE2 4.24Å; Y196-F334 HydrophobicContact CD2-CE2 4.28Å; Y196-F334 AromaticContact CD2-CZ 3.82Å; Y196-F334 HydrophobicContact CD2-CZ 3.82Å; Y196-F334 HydrophobicContact CE2-CZ 4.32Å; Y196-F334 AromaticContact CG-CE2 3.91Å; Y196-F334 HydrophobicContact CG-CE2 3.91Å; Y196-F334 AromaticContact CG-CZ 3.94Å; Y196-F334 HydrophobicContact CG-CZ 3.94Å |
| 197 | T | 81.2 | Confident | 91.5 | Very high | 17 Ų | 17 | 25 Ų | 25 | 10% | 0.104 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -30.8 | -171.1 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | E108 S195 Y200 C256 | E108-T197 PolarHBondContact OE1-OG1 3.04Å; E108-T197 PolarHBondContact OE2-OG1 3.25Å; S195-T197 PolarHBondContact OG-N 3.28Å; S195-T197 PolarHBondContact OG-OG1 2.77Å; T197-Y200 WeakPolarHBondContact O-CD1 3.34Å; T197-Y200 WeakPolarHBondContact O-CE1 3.46Å; T197-C256 WeakPolarHBondContact CG2-O 3.42Å |
| 198 | L | 83.3 | Confident | 91.5 | Very high | 9 Ų | 9 | 28 Ų | 28 | 5% | 0.047 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -9.7 | -177.4 | -56.5 | -170.1 | 0 | 0 | 0 | 113.9 | E108 Y196 Y200 R201 | E108-L198 HydrophobicContact CB-CD1 4.12Å; E108-L198 HydrophobicContact CG-CD1 3.78Å; E108-L198 HydrophobicContact CG-CG 4.19Å; Y196-L198 PolarHBondContact O-N 3.04Å; L198-Y200 VanDerWaalsContact C-N 3.25Å; L198-Y200 PolarHBondContact O-N 3.36Å; L198-R201 WeakPolarHBondContact O-CB 3.39Å; L198-R201 WeakPolarHBondContact O-CG 3.24Å; L198-R201 PolarHBondContact O-N 3.49Å |
| 199 | L | 88.1 | Confident | 91.5 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -59.9 | -34.9 | -173.5 | -72.7 | 177.3 | 0 | 0 | 0 | 112.6 | Y159 F166 L168 I191 Y196 R201 Y202 | Y159-L199 HydrophobicContact CD1-CD1 4.2Å; Y159-L199 HydrophobicContact CE1-CB 3.83Å; Y159-L199 HydrophobicContact CE1-CD1 4.11Å; F166-L199 HydrophobicContact CB-CD1 4.04Å; L168-L199 HydrophobicContact CB-CB 4Å; L168-L199 HydrophobicContact CB-CD1 3.99Å; L168-L199 HydrophobicContact CB-CD2 4.32Å; L168-L199 HydrophobicContact CB-CG 4.35Å; L168-L199 HydrophobicContact CD2-CB 4.11Å; L168-L199 WeakPolarHBondContact CD2-O 3.39Å; I191-L199 HydrophobicContact CD1-CD2 3.6Å; I191-L199 HydrophobicContact CG1-CD2 3.77Å; Y196-L199 PolarHBondContact O-N 2.8Å; L199-R201 PolarHBondContact O-N 2.98Å; L199-R201 VanDerWaalsContact O-N 3.09Å; L199-Y202 PolarHBondContact O-N 3.32Å |
| 200 | Y | 86.6 | Confident | 91.4 | Very high | 42 Ų | 42 | 29.2 Ų | 29.2 | 17% | 0.165 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -53.5 | -32.4 | 179.4 | 78.5 | -85.3 | 0 | 0 | 0 | 113.3 | Y159 T197 L198 Y202 M203 E260 | Y159-Y200 WeakPolarHBondContact OH-CA 3.47Å; Y159-Y200 PolarHBondContact OH-N 3.03Å; T197-Y200 WeakPolarHBondContact O-CD1 3.34Å; T197-Y200 WeakPolarHBondContact O-CE1 3.46Å; L198-Y200 VanDerWaalsContact C-N 3.25Å; L198-Y200 PolarHBondContact O-N 3.36Å; Y200-Y202 PolarHBondContact O-N 3.17Å; Y200-Y202 VanDerWaalsContact O-N 3.12Å; Y200-M203 VanDerWaalsContact O-CB 3.31Å; Y200-M203 WeakPolarHBondContact O-CB 3.41Å; Y200-M203 PolarHBondContact O-N 2.93Å; Y200-M203 VanDerWaalsContact O-N 3.08Å; Y200-E260 WeakPolarHBondContact CD1-O 3.25Å; Y200-E260 WeakPolarHBondContact CD2-O 3.41Å; Y200-E260 HydrophobicContact CE1-CB 4.36Å; Y200-E260 WeakPolarHBondContact CE1-O 3.15Å; Y200-E260 HydrophobicContact CE2-CB 3.98Å; Y200-E260 WeakPolarHBondContact CE2-O 3.34Å; Y200-E260 VanDerWaalsContact CZ-O 3.28Å; Y200-E260 PolarHBondContact OH-OE2 3.14Å |
| 201 | R | 87.4 | Confident | 91.3 | Very high | 123 Ų | 123 | 33.8 Ų | 33.8 | 46% | 0.464 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -59.7 | -25.1 | 179.9 | -63.1 | -179.9 | 173.6 | 173.7 | -1.3 | 112.7 | D110 L198 L199 | D110-R201 IonicContact OD1-NH1 2.63Å; L198-R201 WeakPolarHBondContact O-CB 3.39Å; L198-R201 WeakPolarHBondContact O-CG 3.24Å; L198-R201 PolarHBondContact O-N 3.49Å; L199-R201 PolarHBondContact O-N 2.98Å; L199-R201 VanDerWaalsContact O-N 3.09Å |
| 202 | Y | 91.4 | Very high | 91.2 | Very high | 17 Ų | 17 | 36.8 Ų | 36.8 | 7% | 0.067 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -99.7 | -6.2 | -178.8 | -50.2 | -58.3 | 0 | 0 | 0 | 113.7 | D110 I112 I191 L199 Y200 H204 F205 L206 F226 | D110-Y202 WeakPolarHBondContact CB-OH 3.25Å; D110-Y202 PolarHBondContact OD1-OH 3.04Å; D110-Y202 PolarHBondContact OD2-OH 3.47Å; I112-Y202 HydrophobicContact CD1-CD2 4.25Å; I112-Y202 HydrophobicContact CD1-CE2 3.81Å; I191-Y202 HydrophobicContact CD1-CD2 3.44Å; I191-Y202 VanDerWaalsContact CD1-CD2 3.44Å; I191-Y202 HydrophobicContact CD1-CE2 4.35Å; I191-Y202 HydrophobicContact CD1-CG 3.94Å; L199-Y202 PolarHBondContact O-N 3.32Å; Y200-Y202 PolarHBondContact O-N 3.17Å; Y200-Y202 VanDerWaalsContact O-N 3.12Å; Y202-H204 VanDerWaalsContact C-N 3.34Å; Y202-H204 PolarHBondContact O-N 3.23Å; Y202-F205 WeakPolarHBondContact O-CA 3.37Å; Y202-F205 WeakPolarHBondContact O-CB 3.4Å; Y202-F205 PolarHBondContact O-N 2.96Å; Y202-L206 WeakPolarHBondContact O-CG 3.17Å; Y202-L206 PolarHBondContact O-N 2.88Å; Y202-F226 AromaticContact CD1-CE2 3.5Å; Y202-F226 HydrophobicContact CD1-CE2 3.5Å; Y202-F226 VanDerWaalsContact CD1-CE2 3.5Å; Y202-F226 AromaticContact CD1-CZ 3.72Å; Y202-F226 HydrophobicContact CD1-CZ 3.72Å; Y202-F226 HydrophobicContact CD2-CZ 4.33Å; Y202-F226 AromaticContact CE1-CE2 3.66Å; Y202-F226 HydrophobicContact CE1-CE2 3.66Å; Y202-F226 AromaticContact CE1-CZ 3.94Å; Y202-F226 HydrophobicContact CE1-CZ 3.94Å; Y202-F226 HydrophobicContact CE2-CZ 4.49Å; Y202-F226 HydrophobicContact CG-CE2 4.15Å; Y202-F226 AromaticContact CG-CZ 3.91Å; Y202-F226 HydrophobicContact CG-CZ 3.91Å |
| 203 | M | 91.3 | Very high | 91.2 | Very high | 15 Ų | 15 | 36.7 Ų | 36.7 | 7% | 0.074 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -52.9 | -49.5 | -176.3 | -171.5 | 173.3 | 74.1 | 0 | 0 | 111.9 | F157 L168 Y200 F205 L206 E207 | F157-M203 HydrophobicContact CD1-SD 4.1Å; F157-M203 HydrophobicContact CD2-SD 4.01Å; F157-M203 HydrophobicContact CE1-SD 4.31Å; F157-M203 HydrophobicContact CE2-SD 4.22Å; F157-M203 HydrophobicContact CG-SD 3.95Å; F157-M203 HydrophobicContact CZ-SD 4.37Å; L168-M203 HydrophobicContact CD2-CB 4.13Å; Y200-M203 VanDerWaalsContact O-CB 3.31Å; Y200-M203 WeakPolarHBondContact O-CB 3.41Å; Y200-M203 PolarHBondContact O-N 2.93Å; Y200-M203 VanDerWaalsContact O-N 3.08Å; M203-F205 VanDerWaalsContact C-N 3.34Å; M203-F205 PolarHBondContact O-N 2.88Å; M203-L206 PolarHBondContact O-N 2.93Å; M203-E207 WeakPolarHBondContact O-CB 3.32Å; M203-E207 PolarHBondContact O-N 3.05Å |
| 204 | H | 92.3 | Very high | 91.2 | Very high | 123 Ų | 123 | 36.6 Ų | 36.6 | 57% | 0.569 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -64.4 | -34.8 | 177.8 | -175 | 61.7 | 0 | 0 | 0 | 113.5 | Y202 N208 | Y202-H204 VanDerWaalsContact C-N 3.34Å; Y202-H204 PolarHBondContact O-N 3.23Å; H204-N208 PolarHBondContact CD2-ND2 3.17Å; H204-N208 PolarHBondContact CE1-ND2 3.48Å; H204-N208 PolarHBondContact NE2-ND2 3.48Å; H204-N208 VanDerWaalsContact O-CG 3.22Å; H204-N208 PolarHBondContact O-N 3.04Å; H204-N208 VanDerWaalsContact O-N 3.11Å; H204-N208 PolarHBondContact O-ND2 3.49Å |
| 205 | F | 95.4 | Very high | 91.5 | Very high | 54 Ų | 54 | 41.1 Ų | 41.1 | 24% | 0.237 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.4 | -49.9 | 173.8 | 168.6 | -102.3 | 0 | 0 | 0 | 110.7 | Y202 M203 E207 N208 Q209 L223 F226 | Y202-F205 WeakPolarHBondContact O-CA 3.37Å; Y202-F205 WeakPolarHBondContact O-CB 3.4Å; Y202-F205 PolarHBondContact O-N 2.96Å; M203-F205 VanDerWaalsContact C-N 3.34Å; M203-F205 PolarHBondContact O-N 2.88Å; F205-E207 PolarHBondContact O-N 3.06Å; F205-N208 PolarHBondContact O-N 3.38Å; F205-N208 VanDerWaalsContact O-N 3.15Å; F205-Q209 HydrophobicContact CD1-CG 4.27Å; F205-Q209 HydrophobicContact CD2-CG 4.1Å; F205-Q209 HydrophobicContact CE1-CG 3.9Å; F205-Q209 HydrophobicContact CE2-CG 3.7Å; F205-Q209 HydrophobicContact CG-CG 4.37Å; F205-Q209 HydrophobicContact CZ-CG 3.6Å; F205-Q209 VanDerWaalsContact O-CG 3.3Å; F205-Q209 WeakPolarHBondContact O-CG 3.46Å; F205-Q209 PolarHBondContact O-N 2.95Å; F205-L223 HydrophobicContact CE1-CD2 3.94Å; F205-L223 HydrophobicContact CZ-CD2 4.03Å; F205-F226 HydrophobicContact CD1-CD2 4.09Å; F205-F226 HydrophobicContact CD1-CE2 4.24Å; F205-F226 HydrophobicContact CD1-CG 4.3Å; F205-F226 HydrophobicContact CE1-CB 3.87Å; F205-F226 AromaticContact CE1-CD1 3.82Å; F205-F226 HydrophobicContact CE1-CD1 3.82Å; F205-F226 AromaticContact CE1-CD2 3.72Å; F205-F226 HydrophobicContact CE1-CD2 3.72Å; F205-F226 HydrophobicContact CE1-CE1 4.33Å; F205-F226 HydrophobicContact CE1-CE2 4.23Å; F205-F226 AromaticContact CE1-CG 3.5Å; F205-F226 HydrophobicContact CE1-CG 3.5Å; F205-F226 VanDerWaalsContact CE1-CG 3.5Å; F205-F226 HydrophobicContact CE2-CB 4.45Å; F205-F226 HydrophobicContact CZ-CB 3.56Å; F205-F226 HydrophobicContact CZ-CD1 4.4Å; F205-F226 HydrophobicContact CZ-CD2 4.03Å; F205-F226 AromaticContact CZ-CG 3.73Å; F205-F226 HydrophobicContact CZ-CG 3.73Å |
| 206 | L | 96.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.7 | -39.9 | -179.6 | -61.2 | 173 | 0 | 0 | 0 | 112.2 | L168 C170 V189 I191 Y202 M203 N208 Q209 V210 | L168-L206 HydrophobicContact CD2-CD1 4.02Å; L168-L206 HydrophobicContact CG-CD1 4.01Å; C170-L206 HydrophobicContact CB-CB 3.9Å; V189-L206 HydrophobicContact CG1-CD2 4.01Å; I191-L206 HydrophobicContact CD1-CD1 3.95Å; I191-L206 HydrophobicContact CG1-CD1 3.95Å; I191-L206 HydrophobicContact CG2-CD1 4.28Å; I191-L206 HydrophobicContact CG2-CD2 3.71Å; Y202-L206 WeakPolarHBondContact O-CG 3.17Å; Y202-L206 PolarHBondContact O-N 2.88Å; M203-L206 PolarHBondContact O-N 2.93Å; L206-N208 VanDerWaalsContact C-N 3.34Å; L206-N208 PolarHBondContact O-N 3.47Å; L206-Q209 PolarHBondContact O-N 3.01Å; L206-V210 PolarHBondContact O-N 3.18Å |
| 207 | E | 95.7 | Very high | 92.1 | Very high | 43 Ų | 43 | 44.7 Ų | 44.7 | 20% | 0.201 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.6 | -43.1 | 171 | -92.7 | -164.1 | -132.1 | 0 | 0 | 113.4 | C170 M203 F205 V210 R211 | C170-E207 HydrophobicContact CB-CG 4.21Å; M203-E207 WeakPolarHBondContact O-CB 3.32Å; M203-E207 PolarHBondContact O-N 3.05Å; F205-E207 PolarHBondContact O-N 3.06Å; E207-V210 WeakPolarHBondContact O-CG1 3.3Å; E207-R211 WeakPolarHBondContact O-CG 3.33Å; E207-R211 PolarHBondContact O-N 3.23Å; E207-R211 IonicContact OE2-CZ 2.75Å; E207-R211 IonicContact OE2-NH1 2.69Å; E207-R211 PolarHBondContact OE2-NH1 3.15Å; E207-R211 IonicContact OE2-NH2 3.63Å; E207-R211 PolarHBondContact OE2-NH2 3.28Å |
| 208 | N | 96.4 | Very high | 92.6 | Very high | 70 Ų | 70 | 46 Ų | 46 | 37% | 0.374 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -71.7 | -38 | 176.3 | -68.7 | -22.1 | 0 | 0 | 0 | 111.2 | H204 F205 L206 H212 | H204-N208 PolarHBondContact CD2-ND2 3.17Å; H204-N208 PolarHBondContact CE1-ND2 3.48Å; H204-N208 PolarHBondContact NE2-ND2 3.48Å; H204-N208 VanDerWaalsContact O-CG 3.22Å; H204-N208 PolarHBondContact O-N 3.04Å; H204-N208 VanDerWaalsContact O-N 3.11Å; H204-N208 PolarHBondContact O-ND2 3.49Å; F205-N208 PolarHBondContact O-N 3.38Å; F205-N208 VanDerWaalsContact O-N 3.15Å; L206-N208 VanDerWaalsContact C-N 3.34Å; L206-N208 PolarHBondContact O-N 3.47Å; N208-H212 WeakPolarHBondContact O-CB 3.42Å; N208-H212 PolarHBondContact O-N 3Å |
| 209 | Q | 97.3 | Very high | 93.1 | Very high | 22 Ų | 22 | 50.5 Ų | 50.5 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67 | -41.8 | 177.9 | -68.9 | -58.4 | -41.3 | 0 | 0 | 112.4 | V189 F205 L206 R211 H212 Q213 L223 | V189-Q209 HydrophobicContact CG1-CB 4.12Å; F205-Q209 HydrophobicContact CD1-CG 4.27Å; F205-Q209 HydrophobicContact CD2-CG 4.1Å; F205-Q209 HydrophobicContact CE1-CG 3.9Å; F205-Q209 HydrophobicContact CE2-CG 3.7Å; F205-Q209 HydrophobicContact CG-CG 4.37Å; F205-Q209 HydrophobicContact CZ-CG 3.6Å; F205-Q209 VanDerWaalsContact O-CG 3.3Å; F205-Q209 WeakPolarHBondContact O-CG 3.46Å; F205-Q209 PolarHBondContact O-N 2.95Å; L206-Q209 PolarHBondContact O-N 3.01Å; Q209-R211 PolarHBondContact O-N 3.37Å; Q209-H212 WeakPolarHBondContact O-CB 3.49Å; Q209-H212 PolarHBondContact O-N 3.24Å; Q209-Q213 WeakPolarHBondContact O-CG 3.39Å; Q209-Q213 PolarHBondContact O-N 2.84Å; Q209-L223 HydrophobicContact CB-CD2 3.97Å; Q209-L223 HydrophobicContact CG-CD2 3.72Å; Q209-L223 HydrophobicContact CG-CG 4.45Å |
| 210 | V | 97.1 | Very high | 93.5 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65 | -40.8 | 177.2 | 69.9 | 0 | 0 | 0 | 0 | 111.5 | C170 A172 K187 V189 L206 E207 H212 Q213 L214 | C170-V210 HydrophobicContact CB-CG1 4.31Å; C170-V210 WeakPolarHBondContact O-CB 3.43Å; C170-V210 WeakPolarHBondContact O-CG2 3.27Å; A172-V210 HydrophobicContact CB-CB 4.49Å; A172-V210 HydrophobicContact CB-CG1 3.79Å; A172-V210 HydrophobicContact CB-CG2 3.94Å; K187-V210 HydrophobicContact CB-CG2 4.02Å; K187-V210 VanDerWaalsContact O-CG2 3.27Å; K187-V210 WeakPolarHBondContact O-CG2 3.16Å; V189-V210 HydrophobicContact CB-CB 4.09Å; V189-V210 HydrophobicContact CG2-CB 3.69Å; V189-V210 HydrophobicContact CG2-CG2 4.05Å; L206-V210 PolarHBondContact O-N 3.18Å; E207-V210 WeakPolarHBondContact O-CG1 3.3Å; V210-H212 VanDerWaalsContact C-N 3.34Å; V210-H212 PolarHBondContact O-N 2.94Å; V210-Q213 PolarHBondContact O-N 3.41Å; V210-L214 WeakPolarHBondContact O-CG 3.37Å; V210-L214 PolarHBondContact O-N 3.35Å; V210-L214 VanDerWaalsContact O-N 3.12Å |
| 211 | R | 96.1 | Very high | 94 | Very high | 96 Ų | 96 | 53.9 Ų | 53.9 | 36% | 0.362 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 172.6 | -68.7 | 175.1 | -173.7 | 115.4 | 5.3 | 111.4 | E207 Q209 L214 H215 | E207-R211 WeakPolarHBondContact O-CG 3.33Å; E207-R211 PolarHBondContact O-N 3.23Å; E207-R211 IonicContact OE2-CZ 2.75Å; E207-R211 IonicContact OE2-NH1 2.69Å; E207-R211 PolarHBondContact OE2-NH1 3.15Å; E207-R211 IonicContact OE2-NH2 3.63Å; E207-R211 PolarHBondContact OE2-NH2 3.28Å; Q209-R211 PolarHBondContact O-N 3.37Å; R211-L214 PolarHBondContact O-N 3.33Å; R211-H215 PolarHBondContact O-CD2 3.34Å; R211-H215 VanDerWaalsContact O-CD2 3.27Å; R211-H215 PolarHBondContact O-N 3.25Å |
| 212 | H | 95.6 | Very high | 94.4 | Very high | 63 Ų | 63 | 50.5 Ų | 50.5 | 29% | 0.292 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61 | -45.1 | 173.6 | -174.2 | -95.6 | 0 | 0 | 0 | 112.4 | N208 Q209 V210 L214 H215 C216 Q219 | N208-H212 WeakPolarHBondContact O-CB 3.42Å; N208-H212 PolarHBondContact O-N 3Å; Q209-H212 WeakPolarHBondContact O-CB 3.49Å; Q209-H212 PolarHBondContact O-N 3.24Å; V210-H212 VanDerWaalsContact C-N 3.34Å; V210-H212 PolarHBondContact O-N 2.94Å; H212-L214 PolarHBondContact O-N 3.11Å; H212-H215 PolarHBondContact O-N 3.06Å; H212-C216 PolarHBondContact O-N 2.84Å; H212-Q219 PolarHBondContact CE1-OE1 2.92Å |
| 213 | Q | 95.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65 | -23.1 | 178.8 | -69.2 | -55.4 | -35.4 | 0 | 0 | 114.1 | V117 K187 V189 Q209 V210 P217 Q219 | V117-Q213 HydrophobicContact CG1-CG 4.44Å; K187-Q213 HydrophobicContact CD-CB 3.71Å; V189-Q213 HydrophobicContact CG2-CG 4.09Å; Q209-Q213 WeakPolarHBondContact O-CG 3.39Å; Q209-Q213 PolarHBondContact O-N 2.84Å; V210-Q213 PolarHBondContact O-N 3.41Å; Q213-P217 WeakPolarHBondContact O-CA 3.45Å; Q213-Q219 PolarHBondContact NE2-O 3Å |
| 214 | L | 93.3 | Very high | 94.9 | Very high | 6 Ų | 6 | 52.9 Ų | 52.9 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -74.1 | -40.5 | 173.9 | -70.3 | 173.3 | 0 | 0 | 0 | 112.1 | A172 M174 R185 K187 V210 R211 H212 | A172-L214 HydrophobicContact CB-CD1 3.54Å; M174-L214 HydrophobicContact CB-CD1 4.02Å; M174-L214 HydrophobicContact CE-CB 4.35Å; M174-L214 HydrophobicContact SD-CB 4.38Å; R185-L214 HydrophobicContact CB-CD2 4.13Å; R185-L214 WeakPolarHBondContact CD-O 3.3Å; R185-L214 HydrophobicContact CG-CD2 3.66Å; R185-L214 PolarHBondContact NH1-O 3.06Å; R185-L214 WeakPolarHBondContact O-CD2 3.1Å; K187-L214 HydrophobicContact CB-CD2 3.96Å; K187-L214 HydrophobicContact CB-CG 4.5Å; K187-L214 HydrophobicContact CD-CD2 4.46Å; K187-L214 HydrophobicContact CG-CD2 3.97Å; V210-L214 WeakPolarHBondContact O-CG 3.37Å; V210-L214 PolarHBondContact O-N 3.35Å; V210-L214 VanDerWaalsContact O-N 3.12Å; R211-L214 PolarHBondContact O-N 3.33Å; H212-L214 PolarHBondContact O-N 3.11Å |
| 215 | H | 92.8 | Very high | 95.1 | Very high | 135 Ų | 135 | 50 Ų | 50 | 63% | 0.625 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -81.2 | -39 | 177.8 | -68.1 | -65.3 | 0 | 0 | 0 | 113.2 | M174 R211 H212 P217 | M174-H215 PolarHBondContact SD-CE1 3.23Å; R211-H215 PolarHBondContact O-CD2 3.34Å; R211-H215 VanDerWaalsContact O-CD2 3.27Å; R211-H215 PolarHBondContact O-N 3.25Å; H212-H215 PolarHBondContact O-N 3.06Å; H215-P217 WeakPolarHBondContact O-CD 3.13Å |
| 216 | C | 91.7 | Very high | 95.1 | Very high | 41 Ų | 41 | 48.6 Ų | 48.6 | 28% | 0.277 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -125.1 | 69.2 | -175.3 | -63.5 | 0 | 0 | 0 | 0 | 111.5 | H212 Q219 | H212-C216 PolarHBondContact O-N 2.84Å; C216-Q219 HydrophobicContact CB-CG 4.34Å |
| 217 | P | 90.2 | Very high | 95.1 | Very high | 60 Ų | 60 | 49.8 Ų | 49.8 | 39% | 0.39 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 146.1 | 178.3 | -23.2 | 33.6 | 0 | 0 | 0 | 112.9 | Q213 H215 Q219 | Q213-P217 WeakPolarHBondContact O-CA 3.45Å; H215-P217 WeakPolarHBondContact O-CD 3.13Å; P217-Q219 VanDerWaalsContact C-N 3.33Å; P217-Q219 PolarHBondContact O-N 3.45Å |
| 218 | G | 91.5 | Very high | 95 | Very high | 43 Ų | 43 | 53 Ų | 53 | 44% | 0.443 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | -0.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 219 | Q | 93.8 | Very high | 94.9 | Very high | 104 Ų | 104 | 55.4 Ų | 55.4 | 49% | 0.486 | 30% | 0.301 | S | S | . | . | trans | -99.2 | 85.8 | -178.1 | -64.6 | -172.4 | 8.9 | 0 | 0 | 111.8 | H212 Q213 C216 P217 | H212-Q219 PolarHBondContact CE1-OE1 2.92Å; Q213-Q219 PolarHBondContact NE2-O 3Å; C216-Q219 HydrophobicContact CB-CG 4.34Å; P217-Q219 VanDerWaalsContact C-N 3.33Å; P217-Q219 PolarHBondContact O-N 3.45Å | ||
| 220 | Y | 96.4 | Very high | 94.6 | Very high | 33 Ų | 33 | 56.9 Ų | 56.9 | 13% | 0.129 | 31% | 0.307 | C | S | . | . | trans | -94.7 | -3.8 | -172.9 | -47 | -65.3 | 0 | 0 | 0 | 115.5 | V117 E129 W130 P222 L223 E224 | V117-Y220 HydrophobicContact CB-CE1 4.42Å; V117-Y220 HydrophobicContact CG2-CD1 4.07Å; V117-Y220 HydrophobicContact CG2-CE1 4.04Å; E129-Y220 VanDerWaalsContact CD-OH 3.29Å; E129-Y220 WeakPolarHBondContact CG-OH 3.46Å; E129-Y220 PolarHBondContact OE1-OH 3.33Å; W130-Y220 HydrophobicContact CB-CD1 4.13Å; W130-Y220 HydrophobicContact CB-CD2 4.25Å; W130-Y220 HydrophobicContact CB-CE1 3.75Å; W130-Y220 HydrophobicContact CB-CE2 3.87Å; W130-Y220 HydrophobicContact CB-CG 4.36Å; W130-Y220 AromaticContact CD1-CD2 3.27Å; W130-Y220 AromaticContact CD1-CE2 3.52Å; W130-Y220 AromaticContact CD1-CG 3.7Å; W130-Y220 AromaticContact CD2-CD1 3.9Å; W130-Y220 HydrophobicContact CD2-CD1 3.9Å; W130-Y220 HydrophobicContact CD2-CD2 4.12Å; W130-Y220 HydrophobicContact CD2-CE1 4.44Å; W130-Y220 AromaticContact CD2-CG 3.72Å; W130-Y220 HydrophobicContact CD2-CG 3.72Å; W130-Y220 AromaticContact CE2-CG 3.73Å; W130-Y220 HydrophobicContact CE3-CD1 4.28Å; W130-Y220 HydrophobicContact CE3-CG 4.42Å; W130-Y220 AromaticContact CG-CD1 3.87Å; W130-Y220 HydrophobicContact CG-CD1 3.87Å; W130-Y220 AromaticContact CG-CD2 3.65Å; W130-Y220 HydrophobicContact CG-CD2 3.65Å; W130-Y220 AromaticContact CG-CE1 3.98Å; W130-Y220 HydrophobicContact CG-CE1 3.98Å; W130-Y220 AromaticContact CG-CE2 3.75Å; W130-Y220 HydrophobicContact CG-CE2 3.75Å; W130-Y220 AromaticContact CG-CG 3.69Å; W130-Y220 HydrophobicContact CG-CG 3.69Å; W130-Y220 AromaticContact CG-CZ 3.91Å; W130-Y220 HydrophobicContact CZ2-CG 4.38Å; W130-Y220 AromaticContact NE1-CD2 3.51Å; W130-Y220 AromaticContact NE1-CG 3.71Å; Y220-P222 VanDerWaalsContact C-CD 3.43Å; Y220-P222 VanDerWaalsContact C-N 3.34Å; Y220-P222 VanDerWaalsContact O-N 3.1Å; Y220-L223 HydrophobicContact CD1-CD1 4.39Å; Y220-L223 WeakPolarHBondContact O-CA 3.25Å; Y220-L223 VanDerWaalsContact O-CB 3.32Å; Y220-L223 WeakPolarHBondContact O-CB 3.37Å; Y220-L223 PolarHBondContact O-N 3.14Å; Y220-E224 PolarHBondContact O-N 2.82Å | ||
| 221 | S | 96.4 | Very high | 94.2 | Very high | 81 Ų | 81 | 60.8 Ų | 60.8 | 57% | 0.566 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -49.1 | -39.1 | -174.9 | -178.5 | 0 | 0 | 0 | 0 | 116 | L223 E224 A225 | S221-L223 VanDerWaalsContact C-N 3.34Å; S221-L223 PolarHBondContact O-N 3.29Å; S221-E224 WeakPolarHBondContact CA-OE2 3.38Å; S221-E224 PolarHBondContact O-N 2.7Å; S221-A225 PolarHBondContact O-N 3.4Å |
| 222 | P | 95.9 | Very high | 93.6 | Very high | 52 Ų | 52 | 57 Ų | 57 | 34% | 0.338 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.5 | -31.8 | 174 | -21.5 | 34.3 | 0 | 0 | 0 | 114 | Y220 F226 | Y220-P222 VanDerWaalsContact C-CD 3.43Å; Y220-P222 VanDerWaalsContact C-N 3.34Å; Y220-P222 VanDerWaalsContact O-N 3.1Å; P222-F226 VanDerWaalsContact O-CB 3.32Å; P222-F226 WeakPolarHBondContact O-CB 3.22Å; P222-F226 PolarHBondContact O-N 2.84Å; P222-F226 VanDerWaalsContact O-N 3.08Å |
| 223 | L | 96.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -74.9 | -36.8 | 175.6 | -62.8 | 172.8 | 0 | 0 | 0 | 111.4 | V115 V117 W130 V189 F205 Q209 Y220 S221 F226 Y227 | V115-L223 HydrophobicContact CG1-CB 4.19Å; V115-L223 HydrophobicContact CG1-CD2 3.97Å; V117-L223 HydrophobicContact CG2-CD1 3.58Å; W130-L223 HydrophobicContact CE3-CD1 4.36Å; W130-L223 HydrophobicContact CH2-CB 3.64Å; W130-L223 HydrophobicContact CZ3-CB 3.8Å; W130-L223 HydrophobicContact CZ3-CD1 3.95Å; V189-L223 HydrophobicContact CG1-CD1 4.06Å; V189-L223 HydrophobicContact CG1-CD2 3.78Å; F205-L223 HydrophobicContact CE1-CD2 3.94Å; F205-L223 HydrophobicContact CZ-CD2 4.03Å; Q209-L223 HydrophobicContact CB-CD2 3.97Å; Q209-L223 HydrophobicContact CG-CD2 3.72Å; Q209-L223 HydrophobicContact CG-CG 4.45Å; Y220-L223 HydrophobicContact CD1-CD1 4.39Å; Y220-L223 WeakPolarHBondContact O-CA 3.25Å; Y220-L223 VanDerWaalsContact O-CB 3.32Å; Y220-L223 WeakPolarHBondContact O-CB 3.37Å; Y220-L223 PolarHBondContact O-N 3.14Å; S221-L223 VanDerWaalsContact C-N 3.34Å; S221-L223 PolarHBondContact O-N 3.29Å; L223-F226 PolarHBondContact O-N 3.41Å; L223-Y227 WeakPolarHBondContact O-CB 3.46Å; L223-Y227 PolarHBondContact O-N 3.09Å |
| 224 | E | 96.9 | Very high | 90.9 | Very high | 83 Ų | 83 | 65.3 Ų | 65.3 | 39% | 0.388 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.4 | -51.1 | 172.2 | -65 | 169.8 | 174.6 | 0 | 0 | 110.8 | W130 L132 Y220 S221 F226 Y227 E228 | W130-E224 HydrophobicContact CH2-CG 4.34Å; W130-E224 HydrophobicContact CZ2-CG 3.68Å; L132-E224 HydrophobicContact CD1-CB 4.32Å; L132-E224 HydrophobicContact CD1-CG 4.01Å; Y220-E224 PolarHBondContact O-N 2.82Å; S221-E224 WeakPolarHBondContact CA-OE2 3.38Å; S221-E224 PolarHBondContact O-N 2.7Å; E224-F226 VanDerWaalsContact C-N 3.35Å; E224-F226 PolarHBondContact O-N 3.05Å; E224-Y227 PolarHBondContact O-N 2.87Å; E224-E228 WeakPolarHBondContact O-CG 3.43Å; E224-E228 PolarHBondContact O-N 3.16Å |
| 225 | A | 96 | Very high | 88.8 | Confident | 63 Ų | 63 | 70.2 Ų | 70.2 | 52% | 0.521 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S221 E228 D229 | S221-A225 PolarHBondContact O-N 3.4Å; A225-E228 PolarHBondContact O-N 2.98Å; A225-D229 PolarHBondContact O-N 3.1Å; A225-D229 VanDerWaalsContact O-N 3.14Å |
| 226 | F | 95.6 | Very high | 86.4 | Confident | 23 Ų | 23 | 69.9 Ų | 69.9 | 10% | 0.101 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 174.4 | 170.8 | -95.1 | 0 | 0 | 0 | 112.4 | I112 V115 I191 Y202 F205 P222 L223 E224 D229 K230 | I112-F226 HydrophobicContact CD1-CZ 4.41Å; I112-F226 HydrophobicContact CG1-CE1 4.1Å; I112-F226 HydrophobicContact CG1-CZ 4.05Å; I112-F226 HydrophobicContact CG2-CE1 4.38Å; V115-F226 HydrophobicContact CG2-CD1 3.9Å; V115-F226 HydrophobicContact CG2-CE1 3.99Å; I191-F226 HydrophobicContact CG2-CE1 3.92Å; Y202-F226 AromaticContact CD1-CE2 3.5Å; Y202-F226 HydrophobicContact CD1-CE2 3.5Å; Y202-F226 VanDerWaalsContact CD1-CE2 3.5Å; Y202-F226 AromaticContact CD1-CZ 3.72Å; Y202-F226 HydrophobicContact CD1-CZ 3.72Å; Y202-F226 HydrophobicContact CD2-CZ 4.33Å; Y202-F226 AromaticContact CE1-CE2 3.66Å; Y202-F226 HydrophobicContact CE1-CE2 3.66Å; Y202-F226 AromaticContact CE1-CZ 3.94Å; Y202-F226 HydrophobicContact CE1-CZ 3.94Å; Y202-F226 HydrophobicContact CE2-CZ 4.49Å; Y202-F226 HydrophobicContact CG-CE2 4.15Å; Y202-F226 AromaticContact CG-CZ 3.91Å; Y202-F226 HydrophobicContact CG-CZ 3.91Å; F205-F226 HydrophobicContact CD1-CD2 4.09Å; F205-F226 HydrophobicContact CD1-CE2 4.24Å; F205-F226 HydrophobicContact CD1-CG 4.3Å; F205-F226 HydrophobicContact CE1-CB 3.87Å; F205-F226 AromaticContact CE1-CD1 3.82Å; F205-F226 HydrophobicContact CE1-CD1 3.82Å; F205-F226 AromaticContact CE1-CD2 3.72Å; F205-F226 HydrophobicContact CE1-CD2 3.72Å; F205-F226 HydrophobicContact CE1-CE1 4.33Å; F205-F226 HydrophobicContact CE1-CE2 4.23Å; F205-F226 AromaticContact CE1-CG 3.5Å; F205-F226 HydrophobicContact CE1-CG 3.5Å; F205-F226 VanDerWaalsContact CE1-CG 3.5Å; F205-F226 HydrophobicContact CE2-CB 4.45Å; F205-F226 HydrophobicContact CZ-CB 3.56Å; F205-F226 HydrophobicContact CZ-CD1 4.4Å; F205-F226 HydrophobicContact CZ-CD2 4.03Å; F205-F226 AromaticContact CZ-CG 3.73Å; F205-F226 HydrophobicContact CZ-CG 3.73Å; P222-F226 VanDerWaalsContact O-CB 3.32Å; P222-F226 WeakPolarHBondContact O-CB 3.22Å; P222-F226 PolarHBondContact O-N 2.84Å; P222-F226 VanDerWaalsContact O-N 3.08Å; L223-F226 PolarHBondContact O-N 3.41Å; E224-F226 VanDerWaalsContact C-N 3.35Å; E224-F226 PolarHBondContact O-N 3.05Å; F226-D229 PolarHBondContact O-N 2.89Å; F226-K230 HydrophobicContact CD2-CG 4.18Å; F226-K230 HydrophobicContact CE2-CG 3.85Å; F226-K230 HydrophobicContact CZ-CB 4.46Å; F226-K230 HydrophobicContact CZ-CG 4.2Å; F226-K230 WeakPolarHBondContact O-CB 3.17Å; F226-K230 PolarHBondContact O-N 3.19Å; F226-K230 VanDerWaalsContact O-N 3.09Å |
| 227 | Y | 95.7 | Very high | 84.4 | Confident | 26 Ų | 26 | 75.2 Ų | 75.2 | 10% | 0.102 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 176.6 | -179.7 | -109.7 | 0 | 0 | 0 | 111.3 | I112 V115 L132 P133 L223 E224 D229 K230 K231 | I112-Y227 HydrophobicContact CG2-CD2 4.16Å; V115-Y227 HydrophobicContact CG2-CD2 3.84Å; V115-Y227 HydrophobicContact CG2-CG 4.28Å; L132-Y227 HydrophobicContact CB-CD1 3.82Å; L132-Y227 HydrophobicContact CB-CE1 4.11Å; L132-Y227 HydrophobicContact CB-CG 4.03Å; L132-Y227 HydrophobicContact CD1-CD1 3.89Å; L132-Y227 HydrophobicContact CD1-CG 4.29Å; L132-Y227 HydrophobicContact CG-CD1 4.46Å; P133-Y227 WeakPolarHBondContact CD-OH 3.3Å; L223-Y227 WeakPolarHBondContact O-CB 3.46Å; L223-Y227 PolarHBondContact O-N 3.09Å; E224-Y227 PolarHBondContact O-N 2.87Å; Y227-D229 VanDerWaalsContact C-N 3.32Å; Y227-D229 PolarHBondContact O-N 3.18Å; Y227-K230 PolarHBondContact O-N 3.32Å; Y227-K231 HydrophobicContact CD1-CB 4.41Å; Y227-K231 HydrophobicContact CD1-CD 4.37Å; Y227-K231 HydrophobicContact CD2-CB 4.08Å; Y227-K231 HydrophobicContact CE1-CB 4.06Å; Y227-K231 HydrophobicContact CE1-CD 3.93Å; Y227-K231 HydrophobicContact CE2-CB 3.71Å; Y227-K231 HydrophobicContact CG-CB 4.44Å; Y227-K231 WeakPolarHBondContact O-CA 3.35Å; Y227-K231 WeakPolarHBondContact O-CB 3.46Å; Y227-K231 WeakPolarHBondContact O-CG 3.27Å; Y227-K231 PolarHBondContact O-N 3.19Å |
| 228 | E | 94.9 | Very high | 81.7 | Confident | 111 Ų | 111 | 75.3 Ų | 75.3 | 52% | 0.519 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.1 | -34.7 | -179.7 | -73.7 | -63.7 | 115.9 | 0 | 0 | 113.5 | E224 A225 K231 | E224-E228 WeakPolarHBondContact O-CG 3.43Å; E224-E228 PolarHBondContact O-N 3.16Å; A225-E228 PolarHBondContact O-N 2.98Å; E228-K231 IonicContact OE1-NZ 2.87Å; E228-K231 PolarHBondContact OE1-NZ 3.13Å; E228-K231 WeakPolarHBondContact OE2-CE 3.48Å; E228-K231 IonicContact OE2-NZ 3.23Å; E228-K231 PolarHBondContact OE2-NZ 3.05Å |
| 229 | D | 92.8 | Very high | 79 | Confident | 120 Ų | 120 | 81 Ų | 81 | 64% | 0.642 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -71.5 | -37.7 | 174.2 | -177.3 | 69.6 | 0 | 0 | 0 | 113 | A225 F226 Y227 | A225-D229 PolarHBondContact O-N 3.1Å; A225-D229 VanDerWaalsContact O-N 3.14Å; F226-D229 PolarHBondContact O-N 2.89Å; Y227-D229 VanDerWaalsContact C-N 3.32Å; Y227-D229 PolarHBondContact O-N 3.18Å |
| 230 | K | 90.9 | Very high | 76.3 | Confident | 53 Ų | 53 | 80.4 Ų | 80.4 | 23% | 0.23 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -109.7 | -1.1 | -168.3 | -58.8 | -58 | -169.6 | -179 | 0 | 115.7 | D110 I112 F226 Y227 A232 | D110-K230 HydrophobicContact CB-CD 4.01Å; D110-K230 WeakPolarHBondContact OD2-CE 3.31Å; D110-K230 IonicContact OD2-NZ 2.73Å; D110-K230 PolarHBondContact OD2-NZ 2.84Å; I112-K230 HydrophobicContact CB-CB 4.14Å; I112-K230 HydrophobicContact CG1-CB 3.62Å; I112-K230 PolarHBondContact N-O 3.22Å; F226-K230 HydrophobicContact CD2-CG 4.18Å; F226-K230 HydrophobicContact CE2-CG 3.85Å; F226-K230 HydrophobicContact CZ-CB 4.46Å; F226-K230 HydrophobicContact CZ-CG 4.2Å; F226-K230 WeakPolarHBondContact O-CB 3.17Å; F226-K230 PolarHBondContact O-N 3.19Å; F226-K230 VanDerWaalsContact O-N 3.09Å; Y227-K230 PolarHBondContact O-N 3.32Å; K230-A232 PolarHBondContact O-N 3.08Å |
| 231 | K | 90.3 | Very high | 73.3 | Confident | 84 Ų | 84 | 86.1 Ų | 86.1 | 37% | 0.365 | 52% | 0.523 | S | S | . | . | B | Isolated β-bridge | trans | -61.1 | 135 | -174.3 | 57.6 | -176.7 | 174.1 | -173 | 0 | 112.5 | I112 Y227 E228 V233 | I112-K231 CarbonylContact O-C 3.54Å; I112-K231 VanDerWaalsContact O-CA 3.3Å; I112-K231 WeakPolarHBondContact O-CA 3.44Å; Y227-K231 HydrophobicContact CD1-CB 4.41Å; Y227-K231 HydrophobicContact CD1-CD 4.37Å; Y227-K231 HydrophobicContact CD2-CB 4.08Å; Y227-K231 HydrophobicContact CE1-CB 4.06Å; Y227-K231 HydrophobicContact CE1-CD 3.93Å; Y227-K231 HydrophobicContact CE2-CB 3.71Å; Y227-K231 HydrophobicContact CG-CB 4.44Å; Y227-K231 WeakPolarHBondContact O-CA 3.35Å; Y227-K231 WeakPolarHBondContact O-CB 3.46Å; Y227-K231 WeakPolarHBondContact O-CG 3.27Å; Y227-K231 PolarHBondContact O-N 3.19Å; E228-K231 IonicContact OE1-NZ 2.87Å; E228-K231 PolarHBondContact OE1-NZ 3.13Å; E228-K231 WeakPolarHBondContact OE2-CE 3.48Å; E228-K231 IonicContact OE2-NZ 3.23Å; E228-K231 PolarHBondContact OE2-NZ 3.05Å; K231-V233 PolarHBondContact O-N 2.94Å |
| 232 | A | 82.4 | Confident | 70.5 | Confident | 16 Ų | 16 | 87.2 Ų | 87.2 | 13% | 0.132 | 53% | 0.527 | C | S | . | . | trans | -63.9 | 124.2 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q111 I112 V113 K230 L234 | Q111-A232 HydrophobicContact CB-CB 3.93Å; Q111-A232 HydrophobicContact CG-CB 4.28Å; I112-A232 PolarHBondContact O-N 3.08Å; V113-A232 HydrophobicContact CG2-CB 4.39Å; K230-A232 PolarHBondContact O-N 3.08Å; A232-L234 HydrophobicContact CB-CD2 4.15Å; A232-L234 HydrophobicContact CB-CG 4.28Å; A232-L234 PolarHBondContact O-N 3.21Å | ||
| 233 | V | 75.3 | Confident | 67.5 | Low | 140 Ų | 140 | 89.8 Ų | 89.8 | 85% | 0.848 | 55% | 0.545 | S | S | * | . | trans | -75.1 | 81.8 | 168.5 | -175 | 0 | 0 | 0 | 0 | 108.3 | K231 | K231-V233 PolarHBondContact O-N 2.94Š| ||
| 234 | L | 58.9 | Low | 64.4 | Low | 98 Ų | 98 | 96 Ų | 96 | 51% | 0.513 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -69.1 | 136.4 | 173.8 | -61.5 | 178.6 | 0 | 0 | 0 | 109.4 | A232 | A232-L234 HydrophobicContact CB-CD2 4.15Å; A232-L234 HydrophobicContact CB-CG 4.28Å; A232-L234 PolarHBondContact O-N 3.21Å |
| 235 | P | 49.5 | Very low | 61.4 | Low | 108 Ų | 108 | 95.5 Ų | 95.5 | 70% | 0.701 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -58 | 137.4 | 175.8 | -23.9 | 33.6 | 0 | 0 | 0 | 111.1 | T237 | P235-T237 PolarHBondContact O-N 3.47Š|
| 236 | P | 43.2 | Very low | 58.4 | Low | 128 Ų | 128 | 97.4 Ų | 97.4 | 83% | 0.831 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 132.8 | -179.9 | 24.8 | -33.4 | 0 | 0 | 0 | 110.8 | G238 | P236-G238 PolarHBondContact O-N 2.93Š|
| 237 | T | 47.9 | Very low | 55.4 | Low | 154 Ų | 154 | 100.6 Ų | 100.6 | 95% | 0.945 | 61% | 0.611 | S | S | * | * | trans | -57.8 | 103.4 | -168.6 | -45.9 | 0 | 0 | 0 | 0 | 112.8 | P235 | P235-T237 PolarHBondContact O-N 3.47Š| ||
| 238 | G | 35.5 | Very low | 52.9 | Low | 62 Ų | 62 | 103.4 Ų | 103.4 | 64% | 0.639 | 62% | 0.622 | S | S | * | * | trans | -126.4 | 104.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P236 | P236-G238 PolarHBondContact O-N 2.93Š| ||
| 239 | N | 33 | Very low | 49.8 | Very low | 162 Ų | 162 | 101.8 Ų | 101.8 | 87% | 0.866 | 62% | 0.62 | S | S | * | * | S | Bend | trans | 42 | 98.5 | 167.4 | -66.8 | -4.9 | 0 | 0 | 0 | 118.6 | L241 | N239-L241 VanDerWaalsContact C-N 3.25Å; N239-L241 PolarHBondContact O-N 3.41Å |
| 240 | G | 38.8 | Very low | 47.2 | Very low | 91 Ų | 91 | 98 Ų | 98 | 94% | 0.938 | 60% | 0.601 | S | S | * | * | S | Bend | trans | 74.2 | -8.4 | 132.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||
| 241 | L | 33.3 | Very low | 44.4 | Very low | 153 Ų | 153 | 98.2 Ų | 98.2 | 80% | 0.801 | 61% | 0.609 | S | S | * | * | trans | -133.5 | 100.9 | 168.6 | -143.6 | 75.7 | 0 | 0 | 0 | 108.5 | N239 S243 | N239-L241 VanDerWaalsContact C-N 3.25Å; N239-L241 PolarHBondContact O-N 3.41Å; L241-S243 PolarHBondContact O-N 3.5Å | ||
| 242 | V | 36 | Very low | 41.9 | Very low | 105 Ų | 105 | 95.5 Ų | 95.5 | 64% | 0.636 | 60% | 0.603 | S | S | * | * | trans | -58.3 | 108.1 | 161.3 | 172.8 | 0 | 0 | 0 | 0 | 105.2 | L244 | V242-L244 PolarHBondContact O-N 3.49Š| ||
| 243 | S | 32.9 | Very low | 39.9 | Very low | 105 Ų | 105 | 96.8 Ų | 96.8 | 73% | 0.734 | 61% | 0.607 | S | S | * | * | trans | -47.2 | 121.1 | 172.9 | -177.2 | 0 | 0 | 0 | 0 | 107.1 | L241 C245 | L241-S243 PolarHBondContact O-N 3.5Å; S243-C245 PolarHBondContact O-N 2.83Å | ||
| 244 | L | 32 | Very low | 38.2 | Very low | 130 Ų | 130 | 93.2 Ų | 93.2 | 68% | 0.681 | 58% | 0.583 | S | S | * | * | trans | -38.3 | 130.4 | -169.6 | -65.6 | 155.9 | 0 | 0 | 0 | 109.7 | V242 P246 | V242-L244 PolarHBondContact O-N 3.49Å; L244-P246 WeakPolarHBondContact O-CA 3.36Å | ||
| 245 | C | 34.4 | Very low | 37.2 | Very low | 73 Ų | 73 | 98 Ų | 98 | 49% | 0.493 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -44.4 | 117.6 | 158.5 | -63.3 | 0 | 0 | 0 | 0 | 105.2 | S243 T247 | S243-C245 PolarHBondContact O-N 2.83Å; C245-T247 VanDerWaalsContact O-CA 3.23Å; C245-T247 WeakPolarHBondContact O-CA 3.15Å; C245-T247 PolarHBondContact O-N 2.87Å |
| 246 | P | 33.8 | Very low | 36.7 | Very low | 104 Ų | 104 | 94.6 Ų | 94.6 | 68% | 0.675 | 57% | 0.572 | S | S | * | * | trans | -52.8 | 108.1 | -154.7 | 19.1 | -33.2 | 0 | 0 | 0 | 107.2 | L244 W248 | L244-P246 WeakPolarHBondContact O-CA 3.36Å; P246-W248 PolarHBondContact O-N 2.77Å | ||
| 247 | T | 32.9 | Very low | 36.6 | Very low | 89 Ų | 89 | 90.7 Ų | 90.7 | 55% | 0.546 | 54% | 0.544 | S | S | . | . | trans | -49.3 | 116.5 | -154.7 | -52 | 0 | 0 | 0 | 0 | 107.9 | C245 T249 | C245-T247 VanDerWaalsContact O-CA 3.23Å; C245-T247 WeakPolarHBondContact O-CA 3.15Å; C245-T247 PolarHBondContact O-N 2.87Å; T247-T249 PolarHBondContact O-N 2.82Å | ||
| 248 | W | 41.3 | Very low | 36.3 | Very low | 85 Ų | 85 | 88 Ų | 88 | 32% | 0.322 | 52% | 0.52 | S | S | . | . | trans | -69.8 | 71.7 | -178.9 | -71.6 | -7.5 | 0 | 0 | 0 | 107.6 | F166 Y196 P246 | F166-W248 AromaticContact CE2-CH2 3.6Å; F166-W248 HydrophobicContact CE2-CH2 3.6Å; F166-W248 HydrophobicContact CE2-CZ3 4.2Å; F166-W248 AromaticContact CZ-CH2 3.99Å; F166-W248 HydrophobicContact CZ-CH2 3.99Å; F166-W248 HydrophobicContact CZ-CZ3 4.16Å; Y196-W248 HydrophobicContact CE1-CH2 4.41Å; P246-W248 PolarHBondContact O-N 2.77Å | ||
| 249 | T | 31.7 | Very low | 36.5 | Very low | 77 Ų | 77 | 87.9 Ų | 87.9 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | trans | -57.1 | 148.8 | 169.5 | 54.1 | 0 | 0 | 0 | 0 | 106.9 | T247 S251 A252 | T247-T249 PolarHBondContact O-N 2.82Å; T249-S251 PolarHBondContact O-N 2.88Å; T249-A252 VanDerWaalsContact O-CB 3.3Å; T249-A252 WeakPolarHBondContact O-CB 3.47Å; T249-A252 PolarHBondContact O-N 3.38Å | ||
| 250 | V | 37 | Very low | 37.4 | Very low | 40 Ų | 40 | 83.8 Ų | 83.8 | 24% | 0.242 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -52.3 | -26.2 | 179.9 | -177.3 | 0 | 0 | 0 | 0 | 112.4 | A252 N254 I323 | V250-A252 VanDerWaalsContact C-N 3.27Å; V250-A252 PolarHBondContact O-N 3.34Å; V250-N254 PolarHBondContact O-N 3.31Å; V250-N254 PolarHBondContact O-ND2 3.29Å; V250-I323 WeakPolarHBondContact CG1-O 3.17Å |
| 251 | S | 32.6 | Very low | 38.2 | Very low | 58 Ų | 58 | 80 Ų | 80 | 41% | 0.406 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.3 | -11.6 | 172.7 | -52.2 | 0 | 0 | 0 | 0 | 116.2 | T249 R255 | T249-S251 PolarHBondContact O-N 2.88Å; S251-R255 PolarHBondContact O-NE 2.85Å; S251-R255 PolarHBondContact O-NH2 3.24Å |
| 252 | A | 36.4 | Very low | 39.3 | Very low | 28 Ų | 28 | 77.4 Ų | 77.4 | 23% | 0.231 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -92.5 | -47.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | T249 V250 N254 R255 C256 | T249-A252 VanDerWaalsContact O-CB 3.3Å; T249-A252 WeakPolarHBondContact O-CB 3.47Å; T249-A252 PolarHBondContact O-N 3.38Å; V250-A252 VanDerWaalsContact C-N 3.27Å; V250-A252 PolarHBondContact O-N 3.34Å; A252-N254 PolarHBondContact O-N 3.12Å; A252-R255 CarbonylContact O-C 3.48Å; A252-R255 WeakPolarHBondContact O-CA 3.39Å; A252-R255 PolarHBondContact O-N 3.4Å; A252-C256 PolarHBondContact O-N 3.23Å; A252-C256 PolarHBondContact O-SG 3.39Å |
| 253 | I | 41.3 | Very low | 40.6 | Very low | 43 Ų | 43 | 73.4 Ų | 73.4 | 22% | 0.221 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -54.2 | -42.5 | 175.8 | -54.5 | 174.8 | 0 | 0 | 0 | 110.5 | R255 M257 E329 | I253-R255 PolarHBondContact O-N 2.75Å; I253-M257 HydrophobicContact CG2-CE 3.96Å; I253-M257 HydrophobicContact CG2-CG 4.24Å; I253-E329 HydrophobicContact CD1-CG 4.2Å |
| 254 | N | 40.3 | Very low | 41.6 | Very low | 65 Ų | 65 | 74.2 Ų | 74.2 | 35% | 0.348 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.8 | -1.8 | 173.2 | -91.2 | -64.6 | 0 | 0 | 0 | 116.2 | V250 A252 A318 S319 | V250-N254 PolarHBondContact O-N 3.31Å; V250-N254 PolarHBondContact O-ND2 3.29Å; A252-N254 PolarHBondContact O-N 3.12Å; N254-A318 PolarHBondContact ND2-O 3.34Å; N254-A318 PolarHBondContact OD1-O 3.44Å; N254-S319 VanDerWaalsContact OD1-CA 3.24Å; N254-S319 WeakPolarHBondContact OD1-CA 3.17Å; N254-S319 WeakPolarHBondContact OD1-CB 3.46Å |
| 255 | R | 38 | Very low | 42.8 | Very low | 197 Ų | 197 | 72.9 Ų | 72.9 | 74% | 0.743 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -136.9 | -11.7 | 179.1 | -84.3 | -175 | -70.9 | -125.4 | -3.5 | 115.3 | S251 A252 I253 | S251-R255 PolarHBondContact O-NE 2.85Å; S251-R255 PolarHBondContact O-NH2 3.24Å; A252-R255 CarbonylContact O-C 3.48Å; A252-R255 WeakPolarHBondContact O-CA 3.39Å; A252-R255 PolarHBondContact O-N 3.4Å; I253-R255 PolarHBondContact O-N 2.75Å |
| 256 | C | 37.4 | Very low | 43.6 | Very low | 37 Ų | 37 | 73.3 Ų | 73.3 | 25% | 0.25 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -114.4 | -0.7 | -176.5 | 72.7 | 0 | 0 | 0 | 0 | 114.9 | T197 A252 H258 | T197-C256 WeakPolarHBondContact CG2-O 3.42Å; A252-C256 PolarHBondContact O-N 3.23Å; A252-C256 PolarHBondContact O-SG 3.39Å; C256-H258 PolarHBondContact O-N 3.35Å |
| 257 | M | 41.9 | Very low | 44.6 | Very low | 47 Ų | 47 | 69.8 Ų | 69.8 | 23% | 0.232 | 37% | 0.371 | C | S | . | . | trans | -72.4 | 77.7 | 161.5 | -67.1 | -65.1 | -174.7 | 0 | 0 | 109.2 | Y196 I253 Y310 | Y196-M257 VanDerWaalsContact OH-CE 3.24Å; Y196-M257 WeakPolarHBondContact OH-CE 3.49Å; I253-M257 HydrophobicContact CG2-CE 3.96Å; I253-M257 HydrophobicContact CG2-CG 4.24Å; M257-Y310 HydrophobicContact SD-CE2 4Å | ||
| 258 | H | 42.7 | Very low | 46 | Very low | 96 Ų | 96 | 65.6 Ų | 65.6 | 44% | 0.444 | 35% | 0.346 | S | S | . | . | trans | -64.8 | 134.7 | 167.3 | -80.9 | -66.2 | 0 | 0 | 0 | 109 | C256 E260 | C256-H258 PolarHBondContact O-N 3.35Å; H258-E260 PolarHBondContact O-N 3.34Å | ||
| 259 | P | 39.4 | Very low | 47.9 | Very low | 60 Ų | 60 | 63.2 Ų | 63.2 | 39% | 0.39 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -67.8 | 20.8 | -168.2 | -23.8 | 35.1 | 0 | 0 | 0 | 117.7 | ||
| 260 | E | 50.8 | Low | 50.6 | Low | 76 Ų | 76 | 59.7 Ų | 59.7 | 36% | 0.355 | 32% | 0.32 | S | S | . | . | trans | -133.1 | 35.4 | -156.4 | -61 | -152.7 | 135.5 | 0 | 0 | 116.9 | Y200 H258 K262 | Y200-E260 WeakPolarHBondContact CD1-O 3.25Å; Y200-E260 WeakPolarHBondContact CD2-O 3.41Å; Y200-E260 HydrophobicContact CE1-CB 4.36Å; Y200-E260 WeakPolarHBondContact CE1-O 3.15Å; Y200-E260 HydrophobicContact CE2-CB 3.98Å; Y200-E260 WeakPolarHBondContact CE2-O 3.34Å; Y200-E260 VanDerWaalsContact CZ-O 3.28Å; Y200-E260 PolarHBondContact OH-OE2 3.14Å; H258-E260 PolarHBondContact O-N 3.34Å; E260-K262 HydrophobicContact CB-CD 4.43Å; E260-K262 HydrophobicContact CG-CD 4.29Å; E260-K262 PolarHBondContact O-N 3.06Å; E260-K262 IonicContact OE1-NZ 2.87Å; E260-K262 PolarHBondContact OE1-NZ 2.9Å | ||
| 261 | M | 55 | Low | 53.1 | Low | 13 Ų | 13 | 58 Ų | 58 | 6% | 0.064 | 31% | 0.31 | C | S | . | . | trans | -73.2 | 57.4 | 154.9 | -160.5 | 171.4 | 84 | 0 | 0 | 110.6 | Y159 I263 Y307 Y310 F334 | Y159-M261 HydrophobicContact CD1-SD 4.38Å; Y159-M261 HydrophobicContact CE1-SD 3.82Å; Y159-M261 HydrophobicContact CE2-SD 4.05Å; M261-I263 PolarHBondContact O-N 2.66Å; M261-I263 VanDerWaalsContact O-N 3.11Å; M261-Y307 HydrophobicContact CE-CD2 3.63Å; M261-Y307 HydrophobicContact CE-CG 4.09Å; M261-Y307 VanDerWaalsContact O-CD2 3.29Å; M261-Y307 WeakPolarHBondContact O-CD2 3.47Å; M261-Y307 WeakPolarHBondContact O-CE2 3.34Å; M261-Y310 HydrophobicContact CB-CD1 4.5Å; M261-Y310 HydrophobicContact CB-CE1 4.33Å; M261-Y310 HydrophobicContact CE-CD1 4.03Å; M261-Y310 HydrophobicContact CE-CG 3.79Å; M261-F334 HydrophobicContact CE-CE1 4.34Å | ||
| 262 | K | 58.1 | Low | 55.7 | Low | 98 Ų | 98 | 58.9 Ų | 58.9 | 43% | 0.426 | 31% | 0.307 | S | S | . | . | trans | -72 | 103.6 | -174.9 | -79.2 | 170.2 | 178.3 | 171.3 | 0 | 110.3 | E260 | E260-K262 HydrophobicContact CB-CD 4.43Å; E260-K262 HydrophobicContact CG-CD 4.29Å; E260-K262 PolarHBondContact O-N 3.06Å; E260-K262 IonicContact OE1-NZ 2.87Å; E260-K262 PolarHBondContact OE1-NZ 2.9Å | ||
| 263 | I | 61.5 | Low | 58.4 | Low | 20 Ų | 20 | 57.6 Ų | 57.6 | 10% | 0.103 | 30% | 0.297 | C | S | . | . | trans | -72.2 | 128.1 | 162 | -68.1 | -178.9 | 0 | 0 | 0 | 108.2 | F157 M261 H265 G268 Y307 | F157-I263 HydrophobicContact CE2-CD1 4.09Å; F157-I263 HydrophobicContact CE2-CG1 4.22Å; F157-I263 HydrophobicContact CZ-CD1 3.55Å; F157-I263 HydrophobicContact CZ-CG1 3.7Å; F157-I263 HydrophobicContact CZ-CG2 4.29Å; M261-I263 PolarHBondContact O-N 2.66Å; M261-I263 VanDerWaalsContact O-N 3.11Å; I263-H265 VanDerWaalsContact C-N 3.3Å; I263-H265 HydrophobicContact CG2-CB 3.6Å; I263-H265 VanDerWaalsContact CG2-N 3.28Å; I263-H265 WeakPolarHBondContact CG2-O 3.41Å; I263-G268 WeakPolarHBondContact CB-O 2.96Å; I263-Y307 HydrophobicContact CD1-CD1 4.29Å; I263-Y307 HydrophobicContact CD1-CD2 3.91Å; I263-Y307 HydrophobicContact CD1-CG 3.56Å; I263-Y307 HydrophobicContact CG1-CD2 3.98Å; I263-Y307 HydrophobicContact CG1-CG 4.16Å | ||
| 264 | T | 55.5 | Low | 60.9 | Low | 122 Ų | 122 | 55.8 Ų | 55.8 | 75% | 0.748 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -74.5 | -20.2 | 174.8 | 50 | 0 | 0 | 0 | 0 | 113.2 | ||
| 265 | H | 57.6 | Low | 63.4 | Low | 103 Ų | 103 | 57 Ų | 57 | 48% | 0.477 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -79.5 | 125.1 | 175.7 | -170.9 | -88.7 | 0 | 0 | 0 | 112.5 | I263 A267 G268 | I263-H265 VanDerWaalsContact C-N 3.3Å; I263-H265 HydrophobicContact CG2-CB 3.6Å; I263-H265 VanDerWaalsContact CG2-N 3.28Å; I263-H265 WeakPolarHBondContact CG2-O 3.41Å; H265-A267 VanDerWaalsContact C-N 3.3Å; H265-A267 VanDerWaalsContact CE1-CB 3.46Å; H265-A267 WeakPolarHBondContact CE1-CB 3.3Å; H265-A267 WeakPolarHBondContact ND1-CB 3.4Å; H265-A267 PolarHBondContact ND1-N 3.45Å; H265-A267 PolarHBondContact O-N 3.05Å; H265-A267 VanDerWaalsContact O-N 3.12Å; H265-G268 PolarHBondContact O-N 2.81Å |
| 266 | P | 51.3 | Low | 66 | Low | 81 Ų | 81 | 49.6 Ų | 49.6 | 53% | 0.526 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -52.6 | -40 | -175.5 | -29.5 | 35.4 | 0 | 0 | 0 | 115.2 | G268 C269 Q272 | P266-G268 PolarHBondContact O-N 3.3Å; P266-C269 PolarHBondContact O-N 3.49Å; P266-C269 PolarHBondContact O-SG 3.44Å; P266-Q272 PolarHBondContact O-NE2 2.88Å; P266-Q272 PolarHBondContact O-OE1 3.5Å |
| 267 | A | 53 | Low | 68.8 | Low | 30 Ų | 30 | 48.2 Ų | 48.2 | 25% | 0.248 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -64 | -11.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | H265 Q272 V304 | H265-A267 VanDerWaalsContact C-N 3.3Å; H265-A267 VanDerWaalsContact CE1-CB 3.46Å; H265-A267 WeakPolarHBondContact CE1-CB 3.3Å; H265-A267 WeakPolarHBondContact ND1-CB 3.4Å; H265-A267 PolarHBondContact ND1-N 3.45Å; H265-A267 PolarHBondContact O-N 3.05Å; H265-A267 VanDerWaalsContact O-N 3.12Å; A267-Q272 VanDerWaalsContact CA-OE1 3.28Å; A267-V304 HydrophobicContact CB-CG1 4.28Å; A267-V304 HydrophobicContact CB-CG2 4.49Å; A267-V304 WeakPolarHBondContact O-CG1 3.48Å |
| 268 | G | 63.2 | Low | 71.3 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -109.1 | 25.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | I263 H265 P266 Y307 | I263-G268 WeakPolarHBondContact CB-O 2.96Å; H265-G268 PolarHBondContact O-N 2.81Å; P266-G268 PolarHBondContact O-N 3.3Å; G268-Y307 WeakPolarHBondContact O-CD1 3.35Å; G268-Y307 WeakPolarHBondContact O-CE1 3.43Å |
| 269 | C | 81 | Confident | 73.8 | Confident | 35 Ų | 35 | 45.3 Ų | 45.3 | 24% | 0.236 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -99.3 | 154.5 | 168.5 | 79.2 | 0 | 0 | 0 | 0 | 112.2 | P266 S271 Q272 F273 Y307 | P266-C269 PolarHBondContact O-N 3.49Å; P266-C269 PolarHBondContact O-SG 3.44Å; C269-S271 PolarHBondContact O-N 3.33Å; C269-Q272 PolarHBondContact O-N 3.38Å; C269-Q272 VanDerWaalsContact O-N 3.11Å; C269-F273 PolarHBondContact O-N 3.32Å; C269-F273 VanDerWaalsContact O-N 3.11Å; C269-Y307 VanDerWaalsContact C-CE1 3.48Å |
| 270 | M | 88.1 | Confident | 76.5 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.015 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.3 | -35.8 | -175.7 | -167.6 | 168.7 | -175.2 | 0 | 0 | 111.3 | Q272 F273 I274 Y307 C314 L315 E421 F424 I425 | M270-Q272 VanDerWaalsContact C-N 3.34Å; M270-Q272 PolarHBondContact O-N 2.96Å; M270-F273 WeakPolarHBondContact O-CB 3.27Å; M270-F273 PolarHBondContact O-N 3.43Å; M270-F273 VanDerWaalsContact O-N 3.1Å; M270-I274 HydrophobicContact CG-CG1 4.34Å; M270-I274 WeakPolarHBondContact O-CG1 3.34Å; M270-I274 PolarHBondContact O-N 3.38Å; M270-Y307 HydrophobicContact CB-CE1 4.48Å; M270-Y307 WeakPolarHBondContact CB-OH 3.47Å; M270-Y307 PolarHBondContact N-OH 3.13Å; M270-C314 HydrophobicContact CE-CB 4.37Å; M270-L315 HydrophobicContact CE-CD2 4.05Å; M270-E421 HydrophobicContact CB-CB 4.45Å; M270-E421 HydrophobicContact CB-CG 4.01Å; M270-F424 HydrophobicContact CB-CD2 4.28Å; M270-F424 HydrophobicContact CE-CB 3.69Å; M270-F424 HydrophobicContact CG-CB 4.31Å; M270-F424 HydrophobicContact CG-CD2 4Å; M270-F424 HydrophobicContact CG-CG 4.48Å; M270-F424 HydrophobicContact SD-CB 3.82Å; M270-F424 HydrophobicContact SD-CD2 4.39Å; M270-I425 HydrophobicContact CE-CG1 4.11Å; M270-I425 HydrophobicContact SD-CD1 4.44Å; M270-I425 HydrophobicContact SD-CG1 3.91Å |
| 271 | S | 89 | Confident | 78.7 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 3% | 0.028 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55.6 | -45.6 | 175.3 | -161.4 | 0 | 0 | 0 | 0 | 112.5 | C269 Q275 R403 E420 F424 | C269-S271 PolarHBondContact O-N 3.33Å; S271-Q275 WeakPolarHBondContact O-CB 3.48Å; S271-Q275 WeakPolarHBondContact O-CG 3.24Å; S271-Q275 PolarHBondContact O-N 3.26Å; S271-Q275 PolarHBondContact O-NE2 2.9Å; S271-Q275 PolarHBondContact OG-NE2 2.89Å; S271-Q275 VanDerWaalsContact OG-NE2 3.12Å; S271-R403 PolarHBondContact OG-NE 3.07Å; S271-R403 PolarHBondContact OG-NH2 2.72Å; S271-E420 WeakPolarHBondContact CB-OE2 3.42Å; S271-E420 PolarHBondContact OG-OE1 2.99Å; S271-E420 VanDerWaalsContact OG-OE1 3.06Å; S271-E420 PolarHBondContact OG-OE2 3.09Å; S271-F424 VanDerWaalsContact CA-CE2 3.47Å |
| 272 | Q | 89.1 | Confident | 80.7 | Confident | 77 Ų | 77 | 41.5 Ų | 41.5 | 36% | 0.36 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -72.7 | -31.4 | 176.2 | -68.8 | -164.6 | 27.6 | 0 | 0 | 112.6 | P266 A267 C269 M270 F276 | P266-Q272 PolarHBondContact O-NE2 2.88Å; P266-Q272 PolarHBondContact O-OE1 3.5Å; A267-Q272 VanDerWaalsContact CA-OE1 3.28Å; C269-Q272 PolarHBondContact O-N 3.38Å; C269-Q272 VanDerWaalsContact O-N 3.11Å; M270-Q272 VanDerWaalsContact C-N 3.34Å; M270-Q272 PolarHBondContact O-N 2.96Å; Q272-F276 WeakPolarHBondContact O-CB 3.4Å; Q272-F276 PolarHBondContact O-N 2.96Å |
| 273 | F | 92.2 | Very high | 82.6 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.3 | -47 | 171.7 | 166.7 | -104.2 | 0 | 0 | 0 | 112.4 | C269 M270 F276 F277 I281 L284 R308 C311 L315 | C269-F273 PolarHBondContact O-N 3.32Å; C269-F273 VanDerWaalsContact O-N 3.11Å; M270-F273 WeakPolarHBondContact O-CB 3.27Å; M270-F273 PolarHBondContact O-N 3.43Å; M270-F273 VanDerWaalsContact O-N 3.1Å; F273-F276 PolarHBondContact O-N 2.98Å; F273-F277 AromaticContact CD2-CD2 3.92Å; F273-F277 HydrophobicContact CD2-CD2 3.92Å; F273-F277 AromaticContact CD2-CE2 3.75Å; F273-F277 HydrophobicContact CD2-CE2 3.75Å; F273-F277 AromaticContact CE2-CD2 3.78Å; F273-F277 HydrophobicContact CE2-CD2 3.78Å; F273-F277 AromaticContact CE2-CE2 3.49Å; F273-F277 HydrophobicContact CE2-CE2 3.49Å; F273-F277 VanDerWaalsContact CE2-CE2 3.49Å; F273-F277 HydrophobicContact CZ-CD2 4.43Å; F273-F277 HydrophobicContact CZ-CE2 4.43Å; F273-F277 WeakPolarHBondContact O-CD2 3.36Å; F273-F277 PolarHBondContact O-N 2.8Å; F273-I281 HydrophobicContact CD1-CD1 4.2Å; F273-I281 HydrophobicContact CE1-CD1 3.56Å; F273-I281 HydrophobicContact CZ-CD1 3.84Å; F273-L284 HydrophobicContact CE2-CD2 4Å; F273-L284 HydrophobicContact CZ-CD2 3.66Å; F273-R308 HydrophobicContact CD2-CB 3.88Å; F273-R308 HydrophobicContact CD2-CG 3.78Å; F273-R308 HydrophobicContact CE2-CB 4.05Å; F273-R308 HydrophobicContact CE2-CG 4.44Å; F273-C311 HydrophobicContact CD1-CB 3.42Å; F273-C311 VanDerWaalsContact CD1-CB 3.42Å; F273-C311 HydrophobicContact CD2-CB 4.45Å; F273-C311 HydrophobicContact CE1-CB 3.43Å; F273-C311 VanDerWaalsContact CE1-CB 3.43Å; F273-C311 HydrophobicContact CE2-CB 4.45Å; F273-C311 HydrophobicContact CG-CB 3.94Å; F273-C311 HydrophobicContact CZ-CB 3.98Å; F273-L315 HydrophobicContact CE1-CD1 4.27Å; F273-L315 HydrophobicContact CZ-CD1 4.45Å |
| 274 | I | 93.9 | Very high | 84.2 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62 | -47.7 | 176 | -59.1 | -63.1 | 0 | 0 | 0 | 110.4 | M270 F276 F277 G278 I281 L315 Y396 L399 F424 F428 | M270-I274 HydrophobicContact CG-CG1 4.34Å; M270-I274 WeakPolarHBondContact O-CG1 3.34Å; M270-I274 PolarHBondContact O-N 3.38Å; I274-F276 PolarHBondContact O-N 3.43Å; I274-F277 PolarHBondContact O-N 2.79Å; I274-G278 PolarHBondContact O-N 2.86Å; I274-I281 HydrophobicContact CD1-CD1 3.85Å; I274-I281 HydrophobicContact CD1-CG1 3.65Å; I274-L315 HydrophobicContact CD1-CD2 4.34Å; I274-Y396 HydrophobicContact CG2-CE2 4.17Å; I274-L399 HydrophobicContact CG2-CD2 4Å; I274-F424 HydrophobicContact CB-CE1 4.31Å; I274-F424 HydrophobicContact CB-CZ 4.45Å; I274-F424 HydrophobicContact CG1-CD1 3.89Å; I274-F424 HydrophobicContact CG1-CD2 4.18Å; I274-F424 HydrophobicContact CG1-CE1 4.07Å; I274-F424 HydrophobicContact CG1-CE2 4.36Å; I274-F424 HydrophobicContact CG1-CG 3.97Å; I274-F424 HydrophobicContact CG1-CZ 4.31Å; I274-F424 HydrophobicContact CG2-CD1 4.48Å; I274-F424 HydrophobicContact CG2-CE1 4.13Å; I274-F428 HydrophobicContact CD1-CE2 3.96Å |
| 275 | Q | 92.4 | Very high | 86.2 | Confident | 91 Ų | 91 | 30.1 Ų | 30.1 | 43% | 0.425 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.6 | -38 | 179.3 | -71.6 | 169.6 | 40.7 | 0 | 0 | 113 | S271 F277 G278 | S271-Q275 WeakPolarHBondContact O-CB 3.48Å; S271-Q275 WeakPolarHBondContact O-CG 3.24Å; S271-Q275 PolarHBondContact O-N 3.26Å; S271-Q275 PolarHBondContact O-NE2 2.9Å; S271-Q275 PolarHBondContact OG-NE2 2.89Å; S271-Q275 VanDerWaalsContact OG-NE2 3.12Å; Q275-F277 PolarHBondContact O-N 2.86Å; Q275-G278 PolarHBondContact O-N 2.82Å |
| 276 | F | 93.1 | Very high | 88.1 | Confident | 42 Ų | 42 | 25.3 Ų | 25.3 | 18% | 0.184 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.2 | -34.9 | -179.1 | 171.8 | -90.9 | 0 | 0 | 0 | 112.8 | Q272 F273 I274 N372 Q373 | Q272-F276 WeakPolarHBondContact O-CB 3.4Å; Q272-F276 PolarHBondContact O-N 2.96Å; F273-F276 PolarHBondContact O-N 2.98Å; I274-F276 PolarHBondContact O-N 3.43Å; F276-N372 WeakPolarHBondContact CE1-O 3.26Å; F276-N372 WeakPolarHBondContact CE2-OD1 3.42Å; F276-N372 WeakPolarHBondContact CZ-OD1 3.21Å; F276-Q373 HydrophobicContact CD1-CG 4.13Å; F276-Q373 HydrophobicContact CD2-CG 4.37Å; F276-Q373 HydrophobicContact CE1-CG 3.71Å; F276-Q373 HydrophobicContact CE2-CG 3.97Å; F276-Q373 HydrophobicContact CG-CG 4.45Å; F276-Q373 HydrophobicContact CZ-CG 3.63Å; F276-Q373 VanDerWaalsContact O-CG 3.3Å; F276-Q373 WeakPolarHBondContact O-CG 3.37Å; F276-Q373 PolarHBondContact O-NE2 3.27Å |
| 277 | F | 94.9 | Very high | 90.3 | Very high | 8 Ų | 8 | 21.4 Ų | 21.4 | 4% | 0.035 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -88.3 | -22.9 | 173.1 | -74.6 | -74.9 | 0 | 0 | 0 | 113.4 | F273 I274 Q275 E279 Q280 I281 L284 I370 | F273-F277 AromaticContact CD2-CD2 3.92Å; F273-F277 HydrophobicContact CD2-CD2 3.92Å; F273-F277 AromaticContact CD2-CE2 3.75Å; F273-F277 HydrophobicContact CD2-CE2 3.75Å; F273-F277 AromaticContact CE2-CD2 3.78Å; F273-F277 HydrophobicContact CE2-CD2 3.78Å; F273-F277 AromaticContact CE2-CE2 3.49Å; F273-F277 HydrophobicContact CE2-CE2 3.49Å; F273-F277 VanDerWaalsContact CE2-CE2 3.49Å; F273-F277 HydrophobicContact CZ-CD2 4.43Å; F273-F277 HydrophobicContact CZ-CE2 4.43Å; F273-F277 WeakPolarHBondContact O-CD2 3.36Å; F273-F277 PolarHBondContact O-N 2.8Å; I274-F277 PolarHBondContact O-N 2.79Å; Q275-F277 PolarHBondContact O-N 2.86Å; F277-E279 PolarHBondContact O-N 3.17Å; F277-Q280 HydrophobicContact CB-CB 4.42Å; F277-Q280 VanDerWaalsContact O-CB 3.28Å; F277-Q280 WeakPolarHBondContact O-CB 3.24Å; F277-Q280 PolarHBondContact O-N 2.92Å; F277-I281 HydrophobicContact CB-CB 4.24Å; F277-I281 HydrophobicContact CB-CD1 4.35Å; F277-I281 HydrophobicContact CD2-CD1 4.48Å; F277-L284 HydrophobicContact CD2-CD2 4.21Å; F277-L284 HydrophobicContact CE2-CD2 4.13Å; F277-L284 HydrophobicContact CZ-CD2 4.37Å; F277-I370 HydrophobicContact CE1-CG2 3.87Å; F277-I370 HydrophobicContact CZ-CG2 3.84Å |
| 278 | G | 95.6 | Very high | 92.2 | Very high | 15 Ų | 15 | 20 Ų | 20 | 16% | 0.155 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | 56.2 | -134.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I274 Q275 Q280 I281 Y396 | I274-G278 PolarHBondContact O-N 2.86Å; Q275-G278 PolarHBondContact O-N 2.82Å; G278-Q280 PolarHBondContact O-N 3.06Å; G278-Q280 VanDerWaalsContact O-N 3.13Å; G278-I281 WeakPolarHBondContact O-CB 3.23Å; G278-I281 WeakPolarHBondContact O-CG2 3.39Å; G278-I281 PolarHBondContact O-N 2.9Å; G278-I281 VanDerWaalsContact O-N 3.09Å; G278-Y396 WeakPolarHBondContact O-CD2 3.41Å; G278-Y396 VanDerWaalsContact O-CE2 3.25Å; G278-Y396 WeakPolarHBondContact O-CE2 3.4Å |
| 279 | E | 95.9 | Very high | 93.7 | Very high | 67 Ų | 67 | 20 Ų | 20 | 31% | 0.313 | 10% | 0.101 | S | C | . | . | G | 310 helix | trans | -55.2 | -30.5 | 176.2 | -61.8 | -173.7 | 159.1 | 0 | 0 | 112.9 | F277 I281 M282 L388 K393 Y396 | F277-E279 PolarHBondContact O-N 3.17Å; E279-I281 PolarHBondContact O-N 2.77Å; E279-I281 VanDerWaalsContact O-N 3.08Å; E279-M282 PolarHBondContact O-N 3.45Å; E279-M282 VanDerWaalsContact O-N 3.08Å; E279-L388 HydrophobicContact CB-CD1 3.6Å; E279-L388 HydrophobicContact CB-CD2 4.23Å; E279-L388 VanDerWaalsContact O-CD2 3.26Å; E279-L388 WeakPolarHBondContact O-CD2 3.49Å; E279-K393 WeakPolarHBondContact OE1-CG 3.41Å; E279-K393 IonicContact OE1-NZ 2.92Å; E279-K393 WeakPolarHBondContact OE2-CE 3.33Å; E279-K393 IonicContact OE2-NZ 3.48Å; E279-K393 PolarHBondContact OE2-NZ 3.26Å; E279-Y396 HydrophobicContact CG-CD1 3.92Å; E279-Y396 HydrophobicContact CG-CE1 4.48Å; E279-Y396 HydrophobicContact CG-CG 4.33Å |
| 280 | Q | 95.7 | Very high | 94.3 | Very high | 68 Ų | 68 | 18.4 Ų | 18.4 | 32% | 0.318 | 9% | 0.09 | S | C | . | . | G | 310 helix | trans | -65.2 | -12.3 | -179.5 | -60.6 | -69.3 | 6 | 0 | 0 | 113.6 | F277 G278 M282 V283 L284 | F277-Q280 HydrophobicContact CB-CB 4.42Å; F277-Q280 VanDerWaalsContact O-CB 3.28Å; F277-Q280 WeakPolarHBondContact O-CB 3.24Å; F277-Q280 PolarHBondContact O-N 2.92Å; G278-Q280 PolarHBondContact O-N 3.06Å; G278-Q280 VanDerWaalsContact O-N 3.13Å; Q280-M282 PolarHBondContact O-N 3.34Å; Q280-V283 WeakPolarHBondContact O-CB 3.48Å; Q280-V283 PolarHBondContact O-N 3Å; Q280-V283 VanDerWaalsContact O-N 3.09Å; Q280-L284 PolarHBondContact O-N 3.11Å |
| 281 | I | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58 | -29 | 170.8 | -162 | 64.2 | 0 | 0 | 0 | 112 | F273 I274 F277 G278 E279 L284 W285 L315 Y396 F428 | F273-I281 HydrophobicContact CD1-CD1 4.2Å; F273-I281 HydrophobicContact CE1-CD1 3.56Å; F273-I281 HydrophobicContact CZ-CD1 3.84Å; I274-I281 HydrophobicContact CD1-CD1 3.85Å; I274-I281 HydrophobicContact CD1-CG1 3.65Å; F277-I281 HydrophobicContact CB-CB 4.24Å; F277-I281 HydrophobicContact CB-CD1 4.35Å; F277-I281 HydrophobicContact CD2-CD1 4.48Å; G278-I281 WeakPolarHBondContact O-CB 3.23Å; G278-I281 WeakPolarHBondContact O-CG2 3.39Å; G278-I281 PolarHBondContact O-N 2.9Å; G278-I281 VanDerWaalsContact O-N 3.09Å; E279-I281 PolarHBondContact O-N 2.77Å; E279-I281 VanDerWaalsContact O-N 3.08Å; I281-L284 HydrophobicContact CD1-CD2 4.17Å; I281-L284 PolarHBondContact O-N 2.86Å; I281-W285 VanDerWaalsContact O-CB 3.27Å; I281-W285 WeakPolarHBondContact O-CB 3.38Å; I281-W285 PolarHBondContact O-N 3.32Å; I281-L315 HydrophobicContact CD1-CD1 3.88Å; I281-L315 HydrophobicContact CG1-CD1 4.32Å; I281-Y396 HydrophobicContact CG2-CD2 3.79Å; I281-Y396 HydrophobicContact CG2-CE2 4.22Å; I281-F428 HydrophobicContact CG1-CZ 4.06Å; I281-F428 HydrophobicContact CG2-CZ 4.32Å |
| 282 | M | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -72.5 | -34.2 | 177.5 | -61.6 | -59.5 | 157.9 | 0 | 0 | 112 | E279 Q280 W285 K286 L388 D392 K395 Y396 L399 F427 F428 | E279-M282 PolarHBondContact O-N 3.45Å; E279-M282 VanDerWaalsContact O-N 3.08Å; Q280-M282 PolarHBondContact O-N 3.34Å; M282-W285 HydrophobicContact SD-CE3 4.37Å; M282-K286 WeakPolarHBondContact O-CG 3.13Å; M282-K286 PolarHBondContact O-N 3.29Å; M282-K286 VanDerWaalsContact O-N 3.14Å; M282-L388 HydrophobicContact CB-CD2 4.36Å; M282-D392 HydrophobicContact CB-CB 3.83Å; M282-D392 HydrophobicContact CG-CB 4.13Å; M282-K395 HydrophobicContact CE-CB 3.78Å; M282-K395 HydrophobicContact CG-CB 4.48Å; M282-K395 HydrophobicContact SD-CB 3.78Å; M282-K395 HydrophobicContact SD-CD 3.91Å; M282-Y396 HydrophobicContact CE-CD2 4.43Å; M282-L399 HydrophobicContact CE-CD2 4.39Å; M282-F427 HydrophobicContact CE-CE1 4.17Å; M282-F428 HydrophobicContact CE-CE1 4.13Å; M282-F428 HydrophobicContact CE-CZ 3.94Å; M282-F428 HydrophobicContact SD-CE1 4.06Å; M282-F428 HydrophobicContact SD-CZ 4.4Å |
| 283 | V | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -66.2 | -45 | 171.2 | 170.4 | 0 | 0 | 0 | 0 | 110.2 | Q280 K286 F287 V375 L386 L388 | Q280-V283 WeakPolarHBondContact O-CB 3.48Å; Q280-V283 PolarHBondContact O-N 3Å; Q280-V283 VanDerWaalsContact O-N 3.09Å; V283-K286 PolarHBondContact O-N 3.48Å; V283-F287 HydrophobicContact CG1-CD2 3.95Å; V283-F287 HydrophobicContact CG1-CE2 3.53Å; V283-F287 WeakPolarHBondContact O-CD2 3.47Å; V283-F287 PolarHBondContact O-N 3.31Å; V283-V375 HydrophobicContact CG1-CG1 4.19Å; V283-L386 HydrophobicContact CG1-CD2 4Å; V283-L388 HydrophobicContact CG2-CD2 3.79Å; V283-L388 HydrophobicContact CG2-CG 4.12Å |
| 284 | L | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62 | -45.3 | 178.3 | -171.4 | 58.1 | 0 | 0 | 0 | 111.9 | F273 F277 Q280 I281 K286 F287 V288 L294 L315 I370 | F273-L284 HydrophobicContact CE2-CD2 4Å; F273-L284 HydrophobicContact CZ-CD2 3.66Å; F277-L284 HydrophobicContact CD2-CD2 4.21Å; F277-L284 HydrophobicContact CE2-CD2 4.13Å; F277-L284 HydrophobicContact CZ-CD2 4.37Å; Q280-L284 PolarHBondContact O-N 3.11Å; I281-L284 HydrophobicContact CD1-CD2 4.17Å; I281-L284 PolarHBondContact O-N 2.86Å; L284-K286 PolarHBondContact O-N 3.09Å; L284-F287 PolarHBondContact O-N 3.14Å; L284-V288 WeakPolarHBondContact O-CB 3.4Å; L284-V288 VanDerWaalsContact O-CG2 3.3Å; L284-V288 WeakPolarHBondContact O-CG2 3.47Å; L284-V288 PolarHBondContact O-N 2.95Å; L284-L294 HydrophobicContact CD1-CD2 3.57Å; L284-L315 HydrophobicContact CG-CD1 4.48Å; L284-I370 HydrophobicContact CD1-CD1 3.45Å; L284-I370 VanDerWaalsContact CD1-CD1 3.45Å |
| 285 | W | 96.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 0% | 0.004 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -55.6 | -45.1 | 173.8 | 163.1 | 66.4 | 0 | 0 | 0 | 112.6 | I281 M282 V288 L289 L315 K395 F428 L431 N432 I435 L460 F468 | I281-W285 VanDerWaalsContact O-CB 3.27Å; I281-W285 WeakPolarHBondContact O-CB 3.38Å; I281-W285 PolarHBondContact O-N 3.32Å; M282-W285 HydrophobicContact SD-CE3 4.37Å; W285-V288 WeakPolarHBondContact O-CB 3.47Å; W285-V288 PolarHBondContact O-N 2.83Å; W285-L289 HydrophobicContact CZ2-CD2 4.32Å; W285-L289 WeakPolarHBondContact O-CB 3.42Å; W285-L289 PolarHBondContact O-N 2.63Å; W285-L315 HydrophobicContact CB-CB 4.49Å; W285-L315 HydrophobicContact CB-CD1 4.27Å; W285-K395 HydrophobicContact CH2-CD 4.48Å; W285-K395 HydrophobicContact CZ3-CD 4.09Å; W285-F428 HydrophobicContact CB-CD1 4.25Å; W285-F428 HydrophobicContact CB-CE1 3.83Å; W285-F428 AromaticContact CD1-CD1 3.52Å; W285-F428 AromaticContact CD1-CE1 3.98Å; W285-F428 HydrophobicContact CD2-CD1 4.38Å; W285-F428 HydrophobicContact CD2-CE1 4.35Å; W285-F428 AromaticContact CG-CD1 3.78Å; W285-F428 HydrophobicContact CG-CD1 3.78Å; W285-F428 AromaticContact CG-CE1 3.76Å; W285-F428 HydrophobicContact CG-CE1 3.76Å; W285-F428 AromaticContact NE1-CD1 3.95Å; W285-L431 HydrophobicContact CZ2-CB 4.3Å; W285-N432 PolarHBondContact NE1-OD1 3.02Å; W285-I435 HydrophobicContact CH2-CD1 3.72Å; W285-I435 HydrophobicContact CZ2-CD1 3.6Å; W285-L460 HydrophobicContact CH2-CD2 4.31Å; W285-F468 HydrophobicContact CH2-CE1 4.48Å; W285-F468 HydrophobicContact CH2-CZ 4.46Å |
| 286 | K | 96.9 | Very high | 95.9 | Very high | 2 Ų | 2 | 14.8 Ų | 14.8 | 1% | 0.009 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58.9 | -50.2 | 177 | -71.9 | 174.8 | -161.5 | -179.2 | 0 | 111.8 | M282 V283 L284 V288 L289 L290 D392 D465 F468 | M282-K286 WeakPolarHBondContact O-CG 3.13Å; M282-K286 PolarHBondContact O-N 3.29Å; M282-K286 VanDerWaalsContact O-N 3.14Å; V283-K286 PolarHBondContact O-N 3.48Å; L284-K286 PolarHBondContact O-N 3.09Å; K286-V288 VanDerWaalsContact C-N 3.32Å; K286-V288 PolarHBondContact O-N 2.75Å; K286-L289 PolarHBondContact O-N 2.77Å; K286-L290 WeakPolarHBondContact O-CB 3.23Å; K286-L290 VanDerWaalsContact O-CG 3.31Å; K286-L290 WeakPolarHBondContact O-CG 3.45Å; K286-L290 PolarHBondContact O-N 2.86Å; K286-D392 WeakPolarHBondContact CE-OD1 3.31Å; K286-D392 IonicContact NZ-OD1 3.79Å; K286-D392 PolarHBondContact NZ-OD1 3.18Å; K286-D392 IonicContact NZ-OD2 2.68Å; K286-D392 PolarHBondContact NZ-OD2 3.47Å; K286-D465 WeakPolarHBondContact CE-OD1 3.35Å; K286-D465 IonicContact NZ-OD1 3.54Å; K286-D465 PolarHBondContact NZ-OD1 3.43Å; K286-F468 HydrophobicContact CB-CD2 3.66Å; K286-F468 HydrophobicContact CB-CE2 3.57Å; K286-F468 HydrophobicContact CB-CZ 4.36Å; K286-F468 HydrophobicContact CD-CD2 4.12Å; K286-F468 HydrophobicContact CD-CG 4.18Å; K286-F468 HydrophobicContact CG-CD1 4.49Å; K286-F468 HydrophobicContact CG-CD2 3.72Å; K286-F468 HydrophobicContact CG-CE1 4.42Å; K286-F468 HydrophobicContact CG-CE2 3.64Å; K286-F468 HydrophobicContact CG-CG 4.15Å; K286-F468 HydrophobicContact CG-CZ 3.99Å |
| 287 | F | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.6 | -37.6 | 179.5 | -70.8 | -60 | 0 | 0 | 0 | 113.5 | V283 L284 L290 R291 K292 L294 V368 V375 L382 L385 L386 | V283-F287 HydrophobicContact CG1-CD2 3.95Å; V283-F287 HydrophobicContact CG1-CE2 3.53Å; V283-F287 WeakPolarHBondContact O-CD2 3.47Å; V283-F287 PolarHBondContact O-N 3.31Å; L284-F287 PolarHBondContact O-N 3.14Å; F287-L290 CarbonylContact O-C 3.58Å; F287-L290 PolarHBondContact O-N 3.32Å; F287-R291 PolarHBondContact O-N 2.86Å; F287-K292 HydrophobicContact CD1-CG 4.17Å; F287-K292 PolarHBondContact O-N 3.03Å; F287-K292 VanDerWaalsContact O-N 3.15Å; F287-L294 HydrophobicContact CB-CD1 4.11Å; F287-V368 HydrophobicContact CB-CG2 4.1Å; F287-V368 HydrophobicContact CD1-CG2 3.61Å; F287-V368 HydrophobicContact CD2-CG1 4.3Å; F287-V368 HydrophobicContact CD2-CG2 3.88Å; F287-V368 HydrophobicContact CE1-CG2 3.88Å; F287-V368 HydrophobicContact CE2-CG1 4.46Å; F287-V368 HydrophobicContact CE2-CG2 4.11Å; F287-V368 HydrophobicContact CG-CG2 3.62Å; F287-V368 HydrophobicContact CZ-CG2 4.12Å; F287-V375 HydrophobicContact CD2-CG1 4.28Å; F287-V375 HydrophobicContact CE2-CG1 4Å; F287-L382 HydrophobicContact CE1-CB 4.02Å; F287-L382 HydrophobicContact CE1-CD1 4.32Å; F287-L382 HydrophobicContact CE1-CD2 4.34Å; F287-L382 HydrophobicContact CE1-CG 4.45Å; F287-L385 HydrophobicContact CD1-CD1 4.12Å; F287-L385 HydrophobicContact CE1-CB 3.81Å; F287-L385 HydrophobicContact CE1-CD1 3.64Å; F287-L385 HydrophobicContact CE1-CG 4.36Å; F287-L385 HydrophobicContact CE2-CB 4.48Å; F287-L385 HydrophobicContact CZ-CB 3.71Å; F287-L385 HydrophobicContact CZ-CD1 4.41Å; F287-L386 HydrophobicContact CE2-CD2 3.72Å; F287-L386 HydrophobicContact CZ-CD2 3.94Å; F287-L386 HydrophobicContact CZ-CG 4.33Å |
| 288 | V | 94.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.3 | -47.3 | 173.3 | 157 | 0 | 0 | 0 | 0 | 111.2 | L284 W285 K286 L290 R291 L294 C312 L315 A316 L330 | L284-V288 WeakPolarHBondContact O-CB 3.4Å; L284-V288 VanDerWaalsContact O-CG2 3.3Å; L284-V288 WeakPolarHBondContact O-CG2 3.47Å; L284-V288 PolarHBondContact O-N 2.95Å; W285-V288 WeakPolarHBondContact O-CB 3.47Å; W285-V288 PolarHBondContact O-N 2.83Å; K286-V288 VanDerWaalsContact C-N 3.32Å; K286-V288 PolarHBondContact O-N 2.75Å; V288-L290 VanDerWaalsContact C-N 3.32Å; V288-L290 PolarHBondContact O-N 3.21Å; V288-R291 PolarHBondContact O-N 2.72Å; V288-L294 HydrophobicContact CG2-CD2 3.57Å; V288-C312 WeakPolarHBondContact CG1-O 3.48Å; V288-C312 HydrophobicContact CG2-CB 4.1Å; V288-L315 HydrophobicContact CG1-CB 4.13Å; V288-A316 HydrophobicContact CG1-CB 3.52Å; V288-L330 HydrophobicContact CG1-CD2 3.73Å |
| 289 | L | 93.4 | Very high | 96 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -66 | -37.7 | 179.5 | -158.4 | 70.5 | 0 | 0 | 0 | 111.4 | W285 K286 R291 N432 I435 F436 F468 L472 Y476 | W285-L289 HydrophobicContact CZ2-CD2 4.32Å; W285-L289 WeakPolarHBondContact O-CB 3.42Å; W285-L289 PolarHBondContact O-N 2.63Å; K286-L289 PolarHBondContact O-N 2.77Å; L289-R291 PolarHBondContact O-N 2.74Å; L289-N432 HydrophobicContact CD1-CB 4.33Å; L289-N432 WeakPolarHBondContact CD1-OD1 3.42Å; L289-I435 HydrophobicContact CD2-CD1 4.35Å; L289-F436 HydrophobicContact CD1-CE2 3.97Å; L289-F436 HydrophobicContact CD1-CZ 4.11Å; L289-F436 HydrophobicContact CD2-CE2 4.45Å; L289-F436 HydrophobicContact CD2-CZ 4.25Å; L289-F436 HydrophobicContact CG-CE2 4.44Å; L289-F436 HydrophobicContact CG-CZ 4.15Å; L289-F468 HydrophobicContact CD2-CZ 3.92Å; L289-L472 HydrophobicContact CD2-CD1 4.07Å; L289-L472 HydrophobicContact CD2-CD2 4.4Å; L289-L472 HydrophobicContact CG-CD1 4.1Å; L289-Y476 WeakPolarHBondContact O-CE2 3.43Å; L289-Y476 PolarHBondContact O-OH 2.9Å |
| 290 | L | 94.3 | Very high | 95.9 | Very high | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.01 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 5.7 | 171.8 | -66.2 | -177.8 | 0 | 0 | 0 | 114.6 | K286 F287 V288 K292 L385 F468 D471 L472 | K286-L290 WeakPolarHBondContact O-CB 3.23Å; K286-L290 VanDerWaalsContact O-CG 3.31Å; K286-L290 WeakPolarHBondContact O-CG 3.45Å; K286-L290 PolarHBondContact O-N 2.86Å; F287-L290 CarbonylContact O-C 3.58Å; F287-L290 PolarHBondContact O-N 3.32Å; V288-L290 VanDerWaalsContact C-N 3.32Å; V288-L290 PolarHBondContact O-N 3.21Å; L290-K292 HydrophobicContact CB-CD 4.26Å; L290-K292 HydrophobicContact CB-CG 3.97Å; L290-K292 PolarHBondContact O-N 2.88Å; L290-L385 HydrophobicContact CD1-CD1 3.62Å; L290-F468 HydrophobicContact CD1-CD2 3.92Å; L290-F468 HydrophobicContact CD1-CE2 4.35Å; L290-F468 HydrophobicContact CD2-CD2 4.19Å; L290-F468 HydrophobicContact CD2-CE2 4.15Å; L290-F468 HydrophobicContact CG-CD2 3.95Å; L290-F468 HydrophobicContact CG-CE2 3.9Å; L290-D471 HydrophobicContact CD1-CB 3.74Å; L290-D471 HydrophobicContact CD2-CB 3.69Å; L290-D471 HydrophobicContact CG-CB 4.35Å; L290-L472 VanDerWaalsContact CD2-CA 3.44Å; L290-L472 HydrophobicContact CD2-CB 3.71Å; L290-L472 HydrophobicContact CD2-CD1 3.9Å; L290-L472 HydrophobicContact CD2-CG 4.44Å; L290-L472 VanDerWaalsContact CD2-N 3.34Å |
| 291 | R | 92.4 | Very high | 95.8 | Very high | 39 Ų | 39 | 16.4 Ų | 16.4 | 15% | 0.147 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 23.1 | 175.6 | -55.2 | -61.5 | 176.1 | 116.3 | -14.3 | 114.8 | F287 V288 L289 V327 P328 S349 V475 Y476 | F287-R291 PolarHBondContact O-N 2.86Å; V288-R291 PolarHBondContact O-N 2.72Å; L289-R291 PolarHBondContact O-N 2.74Å; R291-V327 HydrophobicContact CG-CG1 3.77Å; R291-P328 PolarHBondContact NH1-O 3.3Å; R291-S349 WeakPolarHBondContact CB-OG 3.47Å; R291-S349 WeakPolarHBondContact O-CA 3.16Å; R291-S349 WeakPolarHBondContact O-CB 3.45Å; R291-S349 PolarHBondContact O-OG 2.84Å; R291-V475 HydrophobicContact CB-CG1 4.35Å; R291-V475 HydrophobicContact CG-CG1 4.18Å; R291-Y476 PolarHBondContact NE-OH 2.99Å; R291-Y476 PolarHBondContact NH2-OH 3.44Å |
| 292 | K | 95.1 | Very high | 95.7 | Very high | 29 Ų | 29 | 16.4 Ų | 16.4 | 13% | 0.126 | 9% | 0.091 | C | C | . | . | trans | -65.8 | 163.9 | -180 | -54.7 | -58 | -172.7 | -179.1 | 0 | 111.3 | F287 L290 L294 D367 L382 D471 | F287-K292 HydrophobicContact CD1-CG 4.17Å; F287-K292 PolarHBondContact O-N 3.03Å; F287-K292 VanDerWaalsContact O-N 3.15Å; L290-K292 HydrophobicContact CB-CD 4.26Å; L290-K292 HydrophobicContact CB-CG 3.97Å; L290-K292 PolarHBondContact O-N 2.88Å; K292-L294 HydrophobicContact CB-CD1 4.04Å; K292-L294 WeakPolarHBondContact O-CD1 3.39Å; K292-L294 PolarHBondContact O-N 3.09Å; K292-D367 HydrophobicContact CB-CB 4.05Å; K292-L382 HydrophobicContact CD-CD1 4.43Å; K292-L382 HydrophobicContact CD-CD2 4.41Å; K292-D471 WeakPolarHBondContact CE-OD2 3.4Å; K292-D471 IonicContact NZ-OD2 3.65Å; K292-D471 PolarHBondContact NZ-OD2 3.36Å | ||
| 293 | R | 96.3 | Very high | 95.4 | Very high | 29 Ų | 29 | 16.4 Ų | 16.4 | 11% | 0.109 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 109.8 | 177.1 | -60.1 | 169.8 | -60.9 | 150.9 | 9.3 | 110.1 | E347 Y350 E364 L365 Y366 D367 V368 | R293-E347 VanDerWaalsContact CD-O 3.22Å; R293-E347 WeakPolarHBondContact CD-O 3.25Å; R293-Y350 HydrophobicContact CB-CD1 4.02Å; R293-Y350 HydrophobicContact CB-CE1 3.68Å; R293-Y350 HydrophobicContact CB-CE2 4.37Å; R293-Y350 HydrophobicContact CG-CD1 3.85Å; R293-Y350 HydrophobicContact CG-CE1 3.77Å; R293-E364 PolarHBondContact NH1-O 3.24Å; R293-E364 PolarHBondContact NH2-O 3.03Å; R293-L365 PolarHBondContact NH1-O 3.31Å; R293-Y366 PolarHBondContact NH2-O 2.84Å; R293-D367 WeakPolarHBondContact CB-OD2 3.32Å; R293-D367 WeakPolarHBondContact CG-OD2 3.25Å; R293-D367 IonicContact CZ-OD1 3.23Å; R293-D367 IonicContact CZ-OD2 2.78Å; R293-D367 PolarHBondContact N-OD2 3.19Å; R293-D367 IonicContact NE-OD1 2.76Å; R293-D367 PolarHBondContact NE-OD1 2.87Å; R293-D367 IonicContact NE-OD2 3.69Å; R293-D367 PolarHBondContact NE-OD2 3.26Å; R293-D367 IonicContact NH2-OD1 2.77Å; R293-D367 PolarHBondContact NH2-OD1 3.32Å; R293-D367 IonicContact NH2-OD2 3.77Å; R293-D367 PolarHBondContact O-N 3.21Å; R293-V368 PolarHBondContact O-N 3.31Å |
| 294 | L | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 129.1 | -176.7 | -83.1 | 63.2 | 0 | 0 | 0 | 111 | L284 F287 V288 K292 Y350 V351 A352 V368 I370 | L284-L294 HydrophobicContact CD1-CD2 3.57Å; F287-L294 HydrophobicContact CB-CD1 4.11Å; V288-L294 HydrophobicContact CG2-CD2 3.57Å; K292-L294 HydrophobicContact CB-CD1 4.04Å; K292-L294 WeakPolarHBondContact O-CD1 3.39Å; K292-L294 PolarHBondContact O-N 3.09Å; L294-Y350 PolarHBondContact N-O 3.42Å; L294-Y350 WeakPolarHBondContact O-CE2 3.45Å; L294-V351 HydrophobicContact CB-CB 4.47Å; L294-V351 HydrophobicContact CB-CG1 4.03Å; L294-V351 HydrophobicContact CB-CG2 4.33Å; L294-V351 HydrophobicContact CD2-CG2 4.42Å; L294-A352 PolarHBondContact O-N 3.42Å; L294-V368 HydrophobicContact CD1-CB 4.33Å; L294-V368 HydrophobicContact CD1-CG2 4.38Å; L294-V368 HydrophobicContact CG-CB 4.16Å; L294-I370 HydrophobicContact CD2-CD1 4.49Å |
| 295 | L | 98 | Very high | 95 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 118.3 | 175.3 | -178.8 | 50.8 | 0 | 0 | 0 | 111.5 | I336 A352 T354 F359 Y366 V368 Y369 I370 | L295-I336 HydrophobicContact CD1-CD1 3.75Å; L295-I336 HydrophobicContact CD1-CG1 4.18Å; L295-I336 HydrophobicContact CD2-CD1 4.48Å; L295-A352 HydrophobicContact CD1-CB 4.25Å; L295-T354 HydrophobicContact CD1-CG2 3.87Å; L295-T354 HydrophobicContact CD2-CG2 4.38Å; L295-T354 HydrophobicContact CG-CG2 4.32Å; L295-F359 HydrophobicContact CD2-CB 3.64Å; L295-F359 HydrophobicContact CD2-CD1 3.66Å; L295-F359 HydrophobicContact CD2-CE1 4.5Å; L295-F359 HydrophobicContact CD2-CG 3.75Å; L295-Y366 HydrophobicContact CB-CG 4.37Å; L295-Y366 HydrophobicContact CD2-CD1 4.1Å; L295-V368 PolarHBondContact N-O 3.35Å; L295-Y369 HydrophobicContact CB-CD2 4.43Å; L295-Y369 HydrophobicContact CD2-CD2 4.37Å; L295-Y369 HydrophobicContact CD2-CE2 4.49Å; L295-Y369 HydrophobicContact CG-CD2 4.26Å; L295-Y369 HydrophobicContact CG-CE2 4.48Å; L295-Y369 CarbonylContact O-C 3.54Å; L295-Y369 WeakPolarHBondContact O-CA 3.35Å; L295-I370 PolarHBondContact O-N 2.82Å |
| 296 | I | 97.8 | Very high | 94.9 | Very high | 8 Ų | 8 | 17.3 Ų | 17.3 | 4% | 0.041 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 118.3 | 175.6 | -53.5 | 173.1 | 0 | 0 | 0 | 109.7 | V305 R308 V309 A352 C353 T354 I370 | I296-V305 HydrophobicContact CB-CG1 4.31Å; I296-V305 HydrophobicContact CG2-CG1 3.75Å; I296-R308 HydrophobicContact CD1-CB 4.28Å; I296-V309 HydrophobicContact CD1-CG2 4.07Å; I296-A352 PolarHBondContact N-O 2.87Å; I296-C353 HydrophobicContact CB-CB 4.12Å; I296-C353 CarbonylContact O-C 3.6Å; I296-C353 WeakPolarHBondContact O-CA 3.04Å; I296-C353 WeakPolarHBondContact O-CB 3.46Å; I296-T354 PolarHBondContact O-N 3.14Å; I296-I370 HydrophobicContact CG1-CB 4.2Å; I296-I370 HydrophobicContact CG1-CD1 3.98Å |
| 297 | F | 97.5 | Very high | 94.6 | Very high | 31 Ų | 31 | 17.3 Ų | 17.3 | 14% | 0.136 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 134.9 | 168.5 | 171.7 | -99 | 0 | 0 | 0 | 110.9 | T354 T355 K357 Y369 I370 | F297-T354 WeakPolarHBondContact CA-O 3.44Å; F297-T355 WeakPolarHBondContact CE2-O 3.42Å; F297-K357 HydrophobicContact CE2-CB 3.85Å; F297-K357 HydrophobicContact CE2-CG 4.41Å; F297-K357 HydrophobicContact CZ-CB 4.16Å; F297-K357 HydrophobicContact CZ-CD 4.41Å; F297-K357 HydrophobicContact CZ-CG 4.44Å; F297-Y369 HydrophobicContact CB-CE1 4.25Å; F297-Y369 HydrophobicContact CB-CE2 3.96Å; F297-Y369 WeakPolarHBondContact CB-OH 3.29Å; F297-Y369 WeakPolarHBondContact CG-OH 3.49Å; F297-I370 PolarHBondContact N-O 3.44Å |
| 298 | S | 95.7 | Very high | 94.4 | Very high | 31 Ų | 31 | 19.2 Ų | 19.2 | 22% | 0.217 | 10% | 0.104 | C | C | . | . | trans | -161.2 | 139.8 | 171.3 | -166.9 | 0 | 0 | 0 | 0 | 110.3 | I302 T354 T355 | S298-I302 WeakPolarHBondContact O-CD1 3.42Å; S298-T354 PolarHBondContact N-O 3.37Å; S298-T355 WeakPolarHBondContact O-CA 3.44Å; S298-T355 WeakPolarHBondContact O-CG2 3.36Å | ||
| 299 | P | 94.3 | Very high | 94.4 | Very high | 81 Ų | 81 | 19.2 Ų | 19.2 | 53% | 0.526 | 10% | 0.104 | S | C | . | . | P | Polyproline II helix | trans | -66.2 | 163.1 | 164.8 | 31.1 | -35.3 | 0 | 0 | 0 | 111 | ||
| 300 | P | 93.2 | Very high | 94.2 | Very high | 25 Ų | 25 | 19.9 Ų | 19.9 | 16% | 0.162 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -58.5 | 148.3 | 173.1 | -23.6 | 35.6 | 0 | 0 | 0 | 112.5 | S148 I153 I302 T355 | S148-P300 WeakPolarHBondContact O-CG 3.44Å; I153-P300 HydrophobicContact CD1-CB 3.6Å; I153-P300 HydrophobicContact CG1-CB 4.41Å; P300-I302 HydrophobicContact CB-CG1 4.49Å; P300-I302 HydrophobicContact CG-CG1 4.44Å; P300-T355 HydrophobicContact CG-CG2 3.77Å |
| 301 | P | 93.8 | Very high | 94.1 | Very high | 66 Ų | 66 | 19.8 Ų | 19.8 | 43% | 0.429 | 11% | 0.106 | S | C | . | . | P | Polyproline II helix | cis | -80.3 | 137 | 11.7 | 31.4 | -35.9 | 0 | 0 | 0 | 114.7 | I153 D156 | I153-P301 HydrophobicContact CD1-CB 4.14Å; D156-P301 WeakPolarHBondContact OD1-CB 3.42Å; D156-P301 WeakPolarHBondContact OD2-CA 3.18Å |
| 302 | I | 93.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.099 | C | C | . | . | trans | -93.4 | -19.9 | -172.8 | -70.9 | -51.7 | 0 | 0 | 0 | 113.6 | A147 D156 I158 S298 P300 V304 V305 C306 Y335 T355 | A147-I302 HydrophobicContact CB-CG1 4.43Å; D156-I302 PolarHBondContact OD1-N 3.29Å; D156-I302 PolarHBondContact OD2-N 3.13Å; I158-I302 HydrophobicContact CG1-CB 4.43Å; I158-I302 HydrophobicContact CG1-CG2 4.44Å; I158-I302 HydrophobicContact CG2-CG2 4.13Å; S298-I302 WeakPolarHBondContact O-CD1 3.42Å; P300-I302 HydrophobicContact CB-CG1 4.49Å; P300-I302 HydrophobicContact CG-CG1 4.44Å; I302-V304 VanDerWaalsContact C-N 3.31Å; I302-V304 PolarHBondContact O-N 3.11Å; I302-V305 HydrophobicContact CD1-CB 4.46Å; I302-V305 HydrophobicContact CD1-CG2 4.12Å; I302-V305 CarbonylContact O-C 3.48Å; I302-V305 WeakPolarHBondContact O-CA 3.39Å; I302-V305 WeakPolarHBondContact O-CB 3.43Å; I302-V305 PolarHBondContact O-N 2.79Å; I302-C306 PolarHBondContact O-N 3.31Å; I302-C306 PolarHBondContact O-SG 3.33Å; I302-C306 VanDerWaalsContact O-SG 3.39Å; I302-Y335 HydrophobicContact CG1-CD2 4.4Å; I302-Y335 HydrophobicContact CG1-CE2 4.45Å; I302-Y335 HydrophobicContact CG2-CD2 3.72Å; I302-Y335 HydrophobicContact CG2-CG 4.07Å; I302-T355 HydrophobicContact CD1-CG2 3.53Å; I302-T355 HydrophobicContact CG1-CG2 3.56Å | ||
| 303 | G | 92.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.7 | -42.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D156 F157 V305 C306 Y307 | D156-G303 PolarHBondContact OD1-N 2.86Å; D156-G303 VanDerWaalsContact OD1-N 3.07Å; F157-G303 VanDerWaalsContact CE2-C 3.48Å; F157-G303 WeakPolarHBondContact CE2-O 3.45Å; F157-G303 VanDerWaalsContact CZ-C 3.41Å; F157-G303 VanDerWaalsContact CZ-CA 3.48Å; F157-G303 WeakPolarHBondContact O-CA 3.41Å; F157-G303 PolarHBondContact O-N 3.37Å; G303-V305 VanDerWaalsContact C-N 3.28Å; G303-V305 PolarHBondContact O-N 2.87Å; G303-C306 WeakPolarHBondContact O-CB 3.32Å; G303-C306 PolarHBondContact O-N 2.99Å; G303-Y307 PolarHBondContact O-N 2.95Å |
| 304 | V | 90.4 | Very high | 93.4 | Very high | 16 Ų | 16 | 15.5 Ų | 15.5 | 10% | 0.097 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59 | -40.2 | 172.3 | 169.6 | 0 | 0 | 0 | 0 | 111.5 | A267 I302 Y307 R308 | A267-V304 HydrophobicContact CB-CG1 4.28Å; A267-V304 HydrophobicContact CB-CG2 4.49Å; A267-V304 WeakPolarHBondContact O-CG1 3.48Å; I302-V304 VanDerWaalsContact C-N 3.31Å; I302-V304 PolarHBondContact O-N 3.11Å; V304-Y307 PolarHBondContact O-N 3.25Å; V304-R308 WeakPolarHBondContact O-CG 3.05Å; V304-R308 PolarHBondContact O-N 3.38Å; V304-R308 VanDerWaalsContact O-N 3.08Å |
| 305 | V | 94.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 15.5 Ų | 15.5 | 2% | 0.024 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -74.6 | -35.6 | -177.9 | -162.9 | 0 | 0 | 0 | 0 | 111.3 | I296 I302 G303 Y307 R308 V309 C353 | I296-V305 HydrophobicContact CB-CG1 4.31Å; I296-V305 HydrophobicContact CG2-CG1 3.75Å; I302-V305 HydrophobicContact CD1-CB 4.46Å; I302-V305 HydrophobicContact CD1-CG2 4.12Å; I302-V305 CarbonylContact O-C 3.48Å; I302-V305 WeakPolarHBondContact O-CA 3.39Å; I302-V305 WeakPolarHBondContact O-CB 3.43Å; I302-V305 PolarHBondContact O-N 2.79Å; G303-V305 VanDerWaalsContact C-N 3.28Å; G303-V305 PolarHBondContact O-N 2.87Å; V305-Y307 PolarHBondContact O-N 2.94Å; V305-R308 WeakPolarHBondContact O-CB 3.39Å; V305-R308 PolarHBondContact O-N 3.38Å; V305-R308 VanDerWaalsContact O-N 3.09Å; V305-V309 PolarHBondContact O-N 3.14Å; V305-C353 HydrophobicContact CB-CB 4.33Å; V305-C353 HydrophobicContact CG1-CB 3.54Å |
| 306 | C | 93.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.7 | -35.4 | 170.5 | -69.2 | 0 | 0 | 0 | 0 | 112 | Y159 I302 G303 V309 Y310 F334 | Y159-C306 HydrophobicContact CD2-CB 4.27Å; Y159-C306 PolarHBondContact O-SG 3.45Å; Y159-C306 VanDerWaalsContact O-SG 3.42Å; I302-C306 PolarHBondContact O-N 3.31Å; I302-C306 PolarHBondContact O-SG 3.33Å; I302-C306 VanDerWaalsContact O-SG 3.39Å; G303-C306 WeakPolarHBondContact O-CB 3.32Å; G303-C306 PolarHBondContact O-N 2.99Å; C306-V309 WeakPolarHBondContact O-CB 3.19Å; C306-V309 PolarHBondContact O-N 3.06Å; C306-Y310 PolarHBondContact O-N 3.35Å; C306-Y310 VanDerWaalsContact O-N 3.12Å; C306-F334 HydrophobicContact CB-CB 4.42Å; C306-F334 HydrophobicContact CB-CD1 3.96Å; C306-F334 WeakPolarHBondContact O-CD1 3.24Å |
| 307 | Y | 91.3 | Very high | 91.8 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -74.8 | -32.3 | 172.4 | 175.4 | -80.9 | 0 | 0 | 0 | 113 | M261 I263 G268 C269 M270 G303 V304 V305 V309 Y310 C311 E421 | M261-Y307 HydrophobicContact CE-CD2 3.63Å; M261-Y307 HydrophobicContact CE-CG 4.09Å; M261-Y307 VanDerWaalsContact O-CD2 3.29Å; M261-Y307 WeakPolarHBondContact O-CD2 3.47Å; M261-Y307 WeakPolarHBondContact O-CE2 3.34Å; I263-Y307 HydrophobicContact CD1-CD1 4.29Å; I263-Y307 HydrophobicContact CD1-CD2 3.91Å; I263-Y307 HydrophobicContact CD1-CG 3.56Å; I263-Y307 HydrophobicContact CG1-CD2 3.98Å; I263-Y307 HydrophobicContact CG1-CG 4.16Å; G268-Y307 WeakPolarHBondContact O-CD1 3.35Å; G268-Y307 WeakPolarHBondContact O-CE1 3.43Å; C269-Y307 VanDerWaalsContact C-CE1 3.48Å; M270-Y307 HydrophobicContact CB-CE1 4.48Å; M270-Y307 WeakPolarHBondContact CB-OH 3.47Å; M270-Y307 PolarHBondContact N-OH 3.13Å; G303-Y307 PolarHBondContact O-N 2.95Å; V304-Y307 PolarHBondContact O-N 3.25Å; V305-Y307 PolarHBondContact O-N 2.94Å; Y307-V309 PolarHBondContact O-N 3.41Å; Y307-Y310 HydrophobicContact CD2-CD1 4.08Å; Y307-Y310 HydrophobicContact CE2-CD1 4.09Å; Y307-Y310 HydrophobicContact CE2-CE1 4.37Å; Y307-Y310 CarbonylContact O-C 3.51Å; Y307-Y310 WeakPolarHBondContact O-CA 3.4Å; Y307-Y310 WeakPolarHBondContact O-CB 3.49Å; Y307-Y310 PolarHBondContact O-N 3.3Å; Y307-Y310 VanDerWaalsContact O-N 3.08Å; Y307-C311 VanDerWaalsContact CD1-SG 3.56Å; Y307-C311 WeakPolarHBondContact CE1-SG 3.4Å; Y307-C311 PolarHBondContact O-N 3.36Å; Y307-C311 PolarHBondContact O-SG 3.33Å; Y307-E421 PolarHBondContact OH-OE1 3.2Å |
| 308 | R | 92.9 | Very high | 91 | Very high | 41 Ų | 41 | 16 Ų | 16 | 16% | 0.155 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.8 | -38.5 | 168.2 | -62.7 | 179.4 | 179.9 | -159.7 | -4.9 | 111.4 | F273 I296 V304 V305 C311 C312 | F273-R308 HydrophobicContact CD2-CB 3.88Å; F273-R308 HydrophobicContact CD2-CG 3.78Å; F273-R308 HydrophobicContact CE2-CB 4.05Å; F273-R308 HydrophobicContact CE2-CG 4.44Å; I296-R308 HydrophobicContact CD1-CB 4.28Å; V304-R308 WeakPolarHBondContact O-CG 3.05Å; V304-R308 PolarHBondContact O-N 3.38Å; V304-R308 VanDerWaalsContact O-N 3.08Å; V305-R308 WeakPolarHBondContact O-CB 3.39Å; V305-R308 PolarHBondContact O-N 3.38Å; V305-R308 VanDerWaalsContact O-N 3.09Å; R308-C311 PolarHBondContact O-N 3.07Å; R308-C312 PolarHBondContact O-N 2.85Å; R308-C312 PolarHBondContact O-SG 3.35Å |
| 309 | V | 93.9 | Very high | 90 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.1 | -44.4 | 171.6 | 168.3 | 0 | 0 | 0 | 0 | 111.6 | I296 V305 C306 Y307 C312 C313 P332 F334 V351 C353 | I296-V309 HydrophobicContact CD1-CG2 4.07Å; V305-V309 PolarHBondContact O-N 3.14Å; C306-V309 WeakPolarHBondContact O-CB 3.19Å; C306-V309 PolarHBondContact O-N 3.06Å; Y307-V309 PolarHBondContact O-N 3.41Å; V309-C312 WeakPolarHBondContact O-CB 3.23Å; V309-C312 PolarHBondContact O-N 2.96Å; V309-C313 PolarHBondContact O-N 3Å; V309-C313 PolarHBondContact O-SG 3.35Å; V309-P332 HydrophobicContact CG1-CB 3.98Å; V309-F334 HydrophobicContact CB-CD1 4.42Å; V309-F334 HydrophobicContact CG1-CD1 4.16Å; V309-V351 HydrophobicContact CB-CG1 4.23Å; V309-V351 HydrophobicContact CG1-CB 3.98Å; V309-V351 HydrophobicContact CG1-CG1 3.92Å; V309-V351 WeakPolarHBondContact CG1-O 3.45Å; V309-V351 HydrophobicContact CG2-CG1 4.17Å; V309-C353 HydrophobicContact CG2-CB 3.87Å |
| 310 | Y | 90.8 | Very high | 88.9 | Confident | 14 Ų | 14 | 15.1 Ų | 15.1 | 6% | 0.055 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.5 | -48.3 | 173 | 168.3 | -103.4 | 0 | 0 | 0 | 112.5 | Y196 M257 M261 C306 Y307 C312 C313 C314 | Y196-Y310 HydrophobicContact CE2-CD2 4.15Å; Y196-Y310 HydrophobicContact CE2-CE2 4.32Å; M257-Y310 HydrophobicContact SD-CE2 4Å; M261-Y310 HydrophobicContact CB-CD1 4.5Å; M261-Y310 HydrophobicContact CB-CE1 4.33Å; M261-Y310 HydrophobicContact CE-CD1 4.03Å; M261-Y310 HydrophobicContact CE-CG 3.79Å; C306-Y310 PolarHBondContact O-N 3.35Å; C306-Y310 VanDerWaalsContact O-N 3.12Å; Y307-Y310 HydrophobicContact CD2-CD1 4.08Å; Y307-Y310 HydrophobicContact CE2-CD1 4.09Å; Y307-Y310 HydrophobicContact CE2-CE1 4.37Å; Y307-Y310 CarbonylContact O-C 3.51Å; Y307-Y310 WeakPolarHBondContact O-CA 3.4Å; Y307-Y310 WeakPolarHBondContact O-CB 3.49Å; Y307-Y310 PolarHBondContact O-N 3.3Å; Y307-Y310 VanDerWaalsContact O-N 3.08Å; Y310-C312 VanDerWaalsContact C-N 3.3Å; Y310-C312 PolarHBondContact O-N 3.49Å; Y310-C313 WeakPolarHBondContact O-CA 3.47Å; Y310-C313 WeakPolarHBondContact O-CB 3.3Å; Y310-C313 PolarHBondContact O-N 3.23Å; Y310-C314 VanDerWaalsContact CZ-SG 3.6Å; Y310-C314 PolarHBondContact O-N 3.5Å; Y310-C314 PolarHBondContact O-SG 3.38Å |
| 311 | C | 91.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.9 | -41 | 176.9 | -70 | 0 | 0 | 0 | 0 | 112.5 | F273 Y307 R308 C313 C314 L315 | F273-C311 HydrophobicContact CD1-CB 3.42Å; F273-C311 VanDerWaalsContact CD1-CB 3.42Å; F273-C311 HydrophobicContact CD2-CB 4.45Å; F273-C311 HydrophobicContact CE1-CB 3.43Å; F273-C311 VanDerWaalsContact CE1-CB 3.43Å; F273-C311 HydrophobicContact CE2-CB 4.45Å; F273-C311 HydrophobicContact CG-CB 3.94Å; F273-C311 HydrophobicContact CZ-CB 3.98Å; Y307-C311 VanDerWaalsContact CD1-SG 3.56Å; Y307-C311 WeakPolarHBondContact CE1-SG 3.4Å; Y307-C311 PolarHBondContact O-N 3.36Å; Y307-C311 PolarHBondContact O-SG 3.33Å; R308-C311 PolarHBondContact O-N 3.07Å; C311-C313 VanDerWaalsContact C-N 3.29Å; C311-C313 PolarHBondContact O-N 3.29Å; C311-C314 WeakPolarHBondContact O-CB 3.47Å; C311-C314 PolarHBondContact O-N 3.12Å; C311-C314 VanDerWaalsContact O-N 3.14Å; C311-L315 WeakPolarHBondContact O-CG 3.39Å; C311-L315 PolarHBondContact O-N 3.11Å |
| 312 | C | 92.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -55.5 | -46.3 | 173.4 | -67.2 | 0 | 0 | 0 | 0 | 110.9 | V288 R308 V309 Y310 C314 L315 V351 | V288-C312 WeakPolarHBondContact CG1-O 3.48Å; V288-C312 HydrophobicContact CG2-CB 4.1Å; R308-C312 PolarHBondContact O-N 2.85Å; R308-C312 PolarHBondContact O-SG 3.35Å; V309-C312 WeakPolarHBondContact O-CB 3.23Å; V309-C312 PolarHBondContact O-N 2.96Å; Y310-C312 VanDerWaalsContact C-N 3.3Å; Y310-C312 PolarHBondContact O-N 3.49Å; C312-C314 VanDerWaalsContact C-N 3.3Å; C312-C314 PolarHBondContact O-N 3.43Å; C312-L315 WeakPolarHBondContact O-CB 3.43Å; C312-L315 PolarHBondContact O-N 3.1Å; C312-L315 VanDerWaalsContact O-N 3.13Å; C312-V351 HydrophobicContact CB-CG1 3.84Å; C312-V351 HydrophobicContact CB-CG2 4.24Å |
| 313 | C | 89.8 | Confident | 84.8 | Confident | 5 Ų | 5 | 20.4 Ų | 20.4 | 3% | 0.034 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.2 | -39.1 | 178 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | V309 Y310 C311 L315 A316 | V309-C313 PolarHBondContact O-N 3Å; V309-C313 PolarHBondContact O-SG 3.35Å; Y310-C313 WeakPolarHBondContact O-CA 3.47Å; Y310-C313 WeakPolarHBondContact O-CB 3.3Å; Y310-C313 PolarHBondContact O-N 3.23Å; C311-C313 VanDerWaalsContact C-N 3.29Å; C311-C313 PolarHBondContact O-N 3.29Å; C313-L315 VanDerWaalsContact C-N 3.27Å; C313-L315 PolarHBondContact O-N 3.09Å; C313-A316 WeakPolarHBondContact O-CB 3.3Å; C313-A316 PolarHBondContact O-N 3.37Å; C313-A316 VanDerWaalsContact O-N 3.09Å |
| 314 | C | 87.3 | Confident | 83.3 | Confident | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.9 | -27.3 | 176 | -64.5 | 0 | 0 | 0 | 0 | 114.1 | M270 Y310 C311 C312 A316 N317 I425 | M270-C314 HydrophobicContact CE-CB 4.37Å; Y310-C314 VanDerWaalsContact CZ-SG 3.6Å; Y310-C314 PolarHBondContact O-N 3.5Å; Y310-C314 PolarHBondContact O-SG 3.38Å; C311-C314 WeakPolarHBondContact O-CB 3.47Å; C311-C314 PolarHBondContact O-N 3.12Å; C311-C314 VanDerWaalsContact O-N 3.14Å; C312-C314 VanDerWaalsContact C-N 3.3Å; C312-C314 PolarHBondContact O-N 3.43Å; C314-A316 PolarHBondContact O-N 2.94Å; C314-N317 WeakPolarHBondContact O-CB 3.35Å; C314-N317 PolarHBondContact O-N 3.45Å; C314-N317 PolarHBondContact O-ND2 3.34Å; C314-I425 HydrophobicContact CB-CG1 4.25Å |
| 315 | L | 91.2 | Very high | 82 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.3 | -21.3 | 175 | -47.8 | 178.3 | 0 | 0 | 0 | 112.3 | M270 F273 I274 I281 L284 W285 V288 C311 C312 C313 F428 N432 | M270-L315 HydrophobicContact CE-CD2 4.05Å; F273-L315 HydrophobicContact CE1-CD1 4.27Å; F273-L315 HydrophobicContact CZ-CD1 4.45Å; I274-L315 HydrophobicContact CD1-CD2 4.34Å; I281-L315 HydrophobicContact CD1-CD1 3.88Å; I281-L315 HydrophobicContact CG1-CD1 4.32Å; L284-L315 HydrophobicContact CG-CD1 4.48Å; W285-L315 HydrophobicContact CB-CB 4.49Å; W285-L315 HydrophobicContact CB-CD1 4.27Å; V288-L315 HydrophobicContact CG1-CB 4.13Å; C311-L315 WeakPolarHBondContact O-CG 3.39Å; C311-L315 PolarHBondContact O-N 3.11Å; C312-L315 WeakPolarHBondContact O-CB 3.43Å; C312-L315 PolarHBondContact O-N 3.1Å; C312-L315 VanDerWaalsContact O-N 3.13Å; C313-L315 VanDerWaalsContact C-N 3.27Å; C313-L315 PolarHBondContact O-N 3.09Å; L315-F428 HydrophobicContact CB-CD1 4.5Å; L315-F428 HydrophobicContact CB-CG 4.48Å; L315-F428 HydrophobicContact CD2-CD1 4.29Å; L315-F428 HydrophobicContact CD2-CD2 3.52Å; L315-F428 HydrophobicContact CD2-CE1 4.33Å; L315-F428 HydrophobicContact CD2-CE2 3.59Å; L315-F428 HydrophobicContact CD2-CG 3.9Å; L315-F428 HydrophobicContact CD2-CZ 4Å; L315-N432 PolarHBondContact O-ND2 3.01Å |
| 316 | A | 87.8 | Confident | 80.5 | Confident | 8 Ų | 8 | 27.6 Ų | 27.6 | 7% | 0.066 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -4.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | V288 C313 C314 A318 L330 | V288-A316 HydrophobicContact CG1-CB 3.52Å; C313-A316 WeakPolarHBondContact O-CB 3.3Å; C313-A316 PolarHBondContact O-N 3.37Å; C313-A316 VanDerWaalsContact O-N 3.09Å; C314-A316 PolarHBondContact O-N 2.94Å; A316-A318 PolarHBondContact O-N 2.88Å; A316-L330 HydrophobicContact CB-CD2 3.8Å |
| 317 | N | 80.8 | Confident | 79.4 | Confident | 23 Ų | 23 | 28.3 Ų | 28.3 | 12% | 0.123 | 20% | 0.201 | C | C | . | . | trans | -63.4 | 132.4 | -169.6 | -75.3 | -14.4 | 0 | 0 | 0 | 111.5 | C314 M429 N432 | C314-N317 WeakPolarHBondContact O-CB 3.35Å; C314-N317 PolarHBondContact O-N 3.45Å; C314-N317 PolarHBondContact O-ND2 3.34Å; N317-M429 WeakPolarHBondContact O-CA 3.42Å; N317-N432 WeakPolarHBondContact O-CB 3.13Å; N317-N432 PolarHBondContact O-ND2 3.44Å | ||
| 318 | A | 80.3 | Confident | 78.4 | Confident | 18 Ų | 18 | 31.2 Ų | 31.2 | 15% | 0.149 | 22% | 0.22 | C | C | . | . | trans | -143.2 | 138.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | N254 A316 N432 N433 F436 | N254-A318 PolarHBondContact ND2-O 3.34Å; N254-A318 PolarHBondContact OD1-O 3.44Å; A316-A318 PolarHBondContact O-N 2.88Å; A318-N432 HydrophobicContact CB-CB 4.1Å; A318-N433 WeakPolarHBondContact CA-OD1 3.36Å; A318-F436 HydrophobicContact CB-CD2 4.07Å; A318-F436 HydrophobicContact CB-CE2 4.18Å | ||
| 319 | S | 74.6 | Confident | 77.4 | Confident | 55 Ų | 55 | 30.8 Ų | 30.8 | 39% | 0.385 | 22% | 0.22 | S | C | . | . | trans | -103 | 10.2 | -172.5 | 74.7 | 0 | 0 | 0 | 0 | 114.8 | N254 N433 | N254-S319 VanDerWaalsContact OD1-CA 3.24Å; N254-S319 WeakPolarHBondContact OD1-CA 3.17Å; N254-S319 WeakPolarHBondContact OD1-CB 3.46Å; S319-N433 PolarHBondContact N-OD1 2.8Å; S319-N433 PolarHBondContact OG-ND2 3.08Å | ||
| 320 | I | 70 | Confident | 76.6 | Confident | 40 Ų | 40 | 31.6 Ų | 31.6 | 21% | 0.205 | 22% | 0.224 | C | C | . | . | trans | -84.3 | 124.5 | 179.4 | -46.1 | -171.5 | 0 | 0 | 0 | 110.1 | I323 N433 F436 Q437 | I320-I323 HydrophobicContact CB-CD1 3.51Å; I320-I323 HydrophobicContact CD1-CD1 3.99Å; I320-I323 HydrophobicContact CG1-CD1 4.26Å; I320-I323 HydrophobicContact CG2-CD1 3.46Å; I320-I323 VanDerWaalsContact CG2-CD1 3.46Å; I320-N433 HydrophobicContact CD1-CB 4.45Å; I320-N433 WeakPolarHBondContact CD1-O 3.44Å; I320-N433 HydrophobicContact CG1-CB 4.43Å; I320-F436 HydrophobicContact CD1-CB 3.92Å; I320-Q437 HydrophobicContact CD1-CB 3.9Å | ||
| 321 | P | 64.8 | Low | 76 | Confident | 115 Ų | 115 | 35 Ų | 35 | 75% | 0.747 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 137.3 | 177.7 | -23.3 | 34.2 | 0 | 0 | 0 | 112.9 | I323 | P321-I323 VanDerWaalsContact C-N 3.35Å; P321-I323 PolarHBondContact O-N 3.39Å |
| 322 | G | 64.7 | Low | 76 | Confident | 62 Ų | 62 | 35.2 Ų | 35.2 | 64% | 0.639 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.5 | -27.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | G325 | G322-G325 PolarHBondContact O-N 2.86Š|
| 323 | I | 65.9 | Low | 76 | Confident | 24 Ų | 24 | 35.5 Ų | 35.5 | 12% | 0.123 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 134.9 | 174.2 | -83.7 | 136.9 | 0 | 0 | 0 | 110.8 | V250 I320 P321 G325 F436 Y476 | V250-I323 WeakPolarHBondContact CG1-O 3.17Å; I320-I323 HydrophobicContact CB-CD1 3.51Å; I320-I323 HydrophobicContact CD1-CD1 3.99Å; I320-I323 HydrophobicContact CG1-CD1 4.26Å; I320-I323 HydrophobicContact CG2-CD1 3.46Å; I320-I323 VanDerWaalsContact CG2-CD1 3.46Å; P321-I323 VanDerWaalsContact C-N 3.35Å; P321-I323 PolarHBondContact O-N 3.39Å; I323-G325 VanDerWaalsContact C-N 3.27Å; I323-G325 PolarHBondContact O-N 3.02Å; I323-F436 HydrophobicContact CD1-CB 3.66Å; I323-F436 HydrophobicContact CD1-CG 4.32Å; I323-F436 HydrophobicContact CG1-CB 4.29Å; I323-F436 HydrophobicContact CG1-CG 4.49Å; I323-F436 HydrophobicContact CG2-CB 4.44Å; I323-F436 HydrophobicContact CG2-CD1 3.98Å; I323-F436 HydrophobicContact CG2-CD2 3.96Å; I323-F436 HydrophobicContact CG2-CE1 4.2Å; I323-F436 HydrophobicContact CG2-CE2 4.18Å; I323-F436 HydrophobicContact CG2-CG 3.88Å; I323-F436 HydrophobicContact CG2-CZ 4.31Å; I323-Y476 HydrophobicContact CG2-CD1 4.08Å; I323-Y476 HydrophobicContact CG2-CE1 3.85Å |
| 324 | G | 60.8 | Low | 76.3 | Confident | 9 Ų | 9 | 35.3 Ų | 35.3 | 9% | 0.093 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 2.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | S326 V327 | G324-S326 PolarHBondContact O-N 3.48Å; G324-V327 PolarHBondContact O-N 2.91Å; G324-V327 VanDerWaalsContact O-N 3.12Å |
| 325 | G | 62.6 | Low | 76.8 | Confident | 63 Ų | 63 | 35.3 Ų | 35.3 | 65% | 0.649 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -24.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | G322 I323 | G322-G325 PolarHBondContact O-N 2.86Å; I323-G325 VanDerWaalsContact C-N 3.27Å; I323-G325 PolarHBondContact O-N 3.02Å |
| 326 | S | 62.4 | Low | 77.1 | Confident | 100 Ų | 100 | 35.3 Ų | 35.3 | 70% | 0.699 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -10.3 | 172.8 | 46.2 | 0 | 0 | 0 | 0 | 113.7 | G324 | G324-S326 PolarHBondContact O-N 3.48Š|
| 327 | V | 71.3 | Confident | 77.4 | Confident | 14 Ų | 14 | 35.2 Ų | 35.2 | 9% | 0.085 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -106.2 | 141 | -164.9 | -170.8 | 0 | 0 | 0 | 0 | 109.9 | R291 G324 E329 V475 Y476 | R291-V327 HydrophobicContact CG-CG1 3.77Å; G324-V327 PolarHBondContact O-N 2.91Å; G324-V327 VanDerWaalsContact O-N 3.12Å; V327-E329 PolarHBondContact O-N 2.9Å; V327-V475 HydrophobicContact CG1-CG1 3.75Å; V327-V475 VanDerWaalsContact CG2-O 3.3Å; V327-V475 WeakPolarHBondContact CG2-O 3.27Å; V327-Y476 HydrophobicContact CG2-CD1 3.86Å; V327-Y476 HydrophobicContact CG2-CE1 4.22Å; V327-Y476 HydrophobicContact CG2-CG 4.06Å |
| 328 | P | 69.7 | Low | 78.1 | Confident | 64 Ų | 64 | 38.1 Ų | 38.1 | 42% | 0.416 | 25% | 0.251 | S | S | . | . | trans | -51.2 | 131.8 | 172.3 | -28.9 | 36.5 | 0 | 0 | 0 | 112.6 | R291 L330 F348 | R291-P328 PolarHBondContact NH1-O 3.3Å; P328-L330 PolarHBondContact O-N 3.47Å; P328-F348 HydrophobicContact CG-CB 4.26Å | ||
| 329 | E | 71.8 | Confident | 78.7 | Confident | 31 Ų | 31 | 40.6 Ų | 40.6 | 15% | 0.145 | 27% | 0.271 | C | S | . | . | trans | -61.4 | 130 | 172.9 | 179.7 | 179.7 | -139.1 | 0 | 0 | 110.4 | I253 V327 R331 | I253-E329 HydrophobicContact CD1-CG 4.2Å; V327-E329 PolarHBondContact O-N 2.9Å; E329-R331 HydrophobicContact CB-CG 4.3Å; E329-R331 HydrophobicContact CG-CG 3.94Å; E329-R331 PolarHBondContact O-N 2.96Å; E329-R331 IonicContact OE2-CZ 3.06Å; E329-R331 IonicContact OE2-NE 2.66Å; E329-R331 PolarHBondContact OE2-NE 3.48Å; E329-R331 IonicContact OE2-NH2 2.69Å; E329-R331 PolarHBondContact OE2-NH2 3.2Å | ||
| 330 | L | 78.6 | Confident | 79.6 | Confident | 17 Ų | 17 | 39 Ų | 39 | 9% | 0.089 | 26% | 0.258 | C | S | . | . | trans | -75 | 97.8 | 174.4 | -174.5 | 69 | 0 | 0 | 0 | 109 | V288 A316 P328 S349 V351 | V288-L330 HydrophobicContact CG1-CD2 3.73Å; A316-L330 HydrophobicContact CB-CD2 3.8Å; P328-L330 PolarHBondContact O-N 3.47Å; L330-S349 WeakPolarHBondContact CD1-OG 2.93Å; L330-V351 HydrophobicContact CD1-CG2 3.77Å; L330-V351 HydrophobicContact CD2-CG2 4.16Å; L330-V351 HydrophobicContact CG-CG2 4.04Å | ||
| 331 | R | 78.1 | Confident | 80.8 | Confident | 86 Ų | 86 | 38.1 Ų | 38.1 | 33% | 0.325 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 133 | -174.6 | -69.9 | 173.6 | -176.4 | 141.8 | 5.6 | 111.7 | E329 F333 E347 V351 | E329-R331 HydrophobicContact CB-CG 4.3Å; E329-R331 HydrophobicContact CG-CG 3.94Å; E329-R331 PolarHBondContact O-N 2.96Å; E329-R331 IonicContact OE2-CZ 3.06Å; E329-R331 IonicContact OE2-NE 2.66Å; E329-R331 PolarHBondContact OE2-NE 3.48Å; E329-R331 IonicContact OE2-NH2 2.69Å; E329-R331 PolarHBondContact OE2-NH2 3.2Å; R331-F333 HydrophobicContact CB-CD1 4.07Å; R331-F333 HydrophobicContact CB-CE1 3.92Å; R331-F333 PolarHBondContact O-N 2.98Å; R331-E347 IonicContact NH1-OE2 3.12Å; R331-V351 PolarHBondContact O-N 2.6Å; R331-V351 VanDerWaalsContact O-N 3.09Å |
| 332 | P | 90.4 | Very high | 82.1 | Confident | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.032 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 111.4 | 165.7 | 30.1 | -31.5 | 0 | 0 | 0 | 108.8 | Y196 V309 F334 | Y196-P332 HydrophobicContact CD1-CG 4.22Å; Y196-P332 HydrophobicContact CE1-CG 3.66Å; V309-P332 HydrophobicContact CG1-CB 3.98Å; P332-F334 VanDerWaalsContact C-N 3.3Å; P332-F334 HydrophobicContact CB-CD1 4.36Å; P332-F334 HydrophobicContact CB-CD2 4.14Å; P332-F334 HydrophobicContact CB-CE1 4Å; P332-F334 HydrophobicContact CB-CE2 3.76Å; P332-F334 HydrophobicContact CB-CG 4.44Å; P332-F334 HydrophobicContact CB-CZ 3.69Å; P332-F334 HydrophobicContact CG-CE2 3.9Å; P332-F334 HydrophobicContact CG-CZ 3.94Å |
| 333 | F | 93.6 | Very high | 83.4 | Confident | 6 Ų | 6 | 36.1 Ų | 36.1 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | -18.8 | 171.4 | -83.8 | 47.6 | 0 | 0 | 0 | 111.3 | R161 R331 I336 T343 L344 E347 Y350 V351 A352 | R161-F333 PolarHBondContact N-O 3.21Å; R331-F333 HydrophobicContact CB-CD1 4.07Å; R331-F333 HydrophobicContact CB-CE1 3.92Å; R331-F333 PolarHBondContact O-N 2.98Å; F333-I336 HydrophobicContact CB-CG2 4.13Å; F333-I336 HydrophobicContact CD2-CG2 4.37Å; F333-T343 HydrophobicContact CE2-CG2 4.27Å; F333-L344 HydrophobicContact CD2-CD2 4.02Å; F333-L344 HydrophobicContact CE2-CD2 4.06Å; F333-E347 HydrophobicContact CE2-CB 4.49Å; F333-E347 HydrophobicContact CE2-CG 4.19Å; F333-E347 HydrophobicContact CZ-CB 3.89Å; F333-E347 HydrophobicContact CZ-CG 3.64Å; F333-E347 WeakPolarHBondContact CZ-OE1 3.44Å; F333-Y350 HydrophobicContact CD1-CG 4.47Å; F333-Y350 VanDerWaalsContact CE1-CB 3.44Å; F333-Y350 HydrophobicContact CE1-CG 4.44Å; F333-V351 PolarHBondContact N-O 2.76Å; F333-A352 HydrophobicContact CB-CB 3.9Å |
| 334 | F | 95.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 54.9 | -133.3 | -173 | -54.8 | -78.2 | 0 | 0 | 0 | 110.5 | Y159 F166 Y196 M261 C306 V309 P332 A352 C353 | Y159-F334 VanDerWaalsContact C-CB 3.44Å; Y159-F334 HydrophobicContact CD1-CE2 4.49Å; Y159-F334 HydrophobicContact CD1-CZ 4.37Å; Y159-F334 HydrophobicContact CG-CD1 4.39Å; Y159-F334 HydrophobicContact CG-CE1 4.45Å; Y159-F334 WeakPolarHBondContact O-CB 3.08Å; F166-F334 HydrophobicContact CD1-CD2 4.28Å; F166-F334 AromaticContact CD1-CE2 3.98Å; F166-F334 HydrophobicContact CD1-CE2 3.98Å; F166-F334 HydrophobicContact CE1-CE2 4.32Å; Y196-F334 HydrophobicContact CD1-CE2 4.24Å; Y196-F334 HydrophobicContact CD2-CE2 4.28Å; Y196-F334 AromaticContact CD2-CZ 3.82Å; Y196-F334 HydrophobicContact CD2-CZ 3.82Å; Y196-F334 HydrophobicContact CE2-CZ 4.32Å; Y196-F334 AromaticContact CG-CE2 3.91Å; Y196-F334 HydrophobicContact CG-CE2 3.91Å; Y196-F334 AromaticContact CG-CZ 3.94Å; Y196-F334 HydrophobicContact CG-CZ 3.94Å; M261-F334 HydrophobicContact CE-CE1 4.34Å; C306-F334 HydrophobicContact CB-CB 4.42Å; C306-F334 HydrophobicContact CB-CD1 3.96Å; C306-F334 WeakPolarHBondContact O-CD1 3.24Å; V309-F334 HydrophobicContact CB-CD1 4.42Å; V309-F334 HydrophobicContact CG1-CD1 4.16Å; P332-F334 VanDerWaalsContact C-N 3.3Å; P332-F334 HydrophobicContact CB-CD1 4.36Å; P332-F334 HydrophobicContact CB-CD2 4.14Å; P332-F334 HydrophobicContact CB-CE1 4Å; P332-F334 HydrophobicContact CB-CE2 3.76Å; P332-F334 HydrophobicContact CB-CG 4.44Å; P332-F334 HydrophobicContact CB-CZ 3.69Å; P332-F334 HydrophobicContact CG-CE2 3.9Å; P332-F334 HydrophobicContact CG-CZ 3.94Å; F334-A352 CarbonylContact O-C 3.58Å; F334-A352 WeakPolarHBondContact O-CA 3.46Å; F334-C353 PolarHBondContact O-N 2.89Å |
| 335 | Y | 97.8 | Very high | 86.3 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 0% | 0.004 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 129.6 | -177.6 | -177.5 | -111 | 0 | 0 | 0 | 113.1 | A147 I158 Y159 I302 C353 T355 | A147-Y335 WeakPolarHBondContact CA-OH 3.41Å; A147-Y335 HydrophobicContact CB-CE1 3.93Å; A147-Y335 HydrophobicContact CB-CE2 3.97Å; A147-Y335 VanDerWaalsContact CB-CZ 3.5Å; A147-Y335 WeakPolarHBondContact CB-OH 3.41Å; I158-Y335 VanDerWaalsContact CG2-CB 3.5Å; I158-Y335 HydrophobicContact CG2-CD1 3.92Å; I158-Y335 HydrophobicContact CG2-CG 3.86Å; Y159-Y335 VanDerWaalsContact O-CB 3.31Å; Y159-Y335 WeakPolarHBondContact O-CB 3.43Å; Y159-Y335 PolarHBondContact O-N 3.04Å; I302-Y335 HydrophobicContact CG1-CD2 4.4Å; I302-Y335 HydrophobicContact CG1-CE2 4.45Å; I302-Y335 HydrophobicContact CG2-CD2 3.72Å; I302-Y335 HydrophobicContact CG2-CG 4.07Å; Y335-C353 WeakPolarHBondContact CA-O 3.41Å; Y335-T355 HydrophobicContact CE2-CG2 4.01Å; Y335-T355 PolarHBondContact OH-OG1 2.73Å; Y335-T355 VanDerWaalsContact OH-OG1 3.11Å |
| 336 | I | 97.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | trans | -127.3 | 154.5 | 175.3 | 60.8 | 156.2 | 0 | 0 | 0 | 111.8 | L295 F333 D340 L344 A352 C353 T354 F359 | L295-I336 HydrophobicContact CD1-CD1 3.75Å; L295-I336 HydrophobicContact CD1-CG1 4.18Å; L295-I336 HydrophobicContact CD2-CD1 4.48Å; F333-I336 HydrophobicContact CB-CG2 4.13Å; F333-I336 HydrophobicContact CD2-CG2 4.37Å; I336-D340 VanDerWaalsContact CA-OD2 3.24Å; I336-D340 WeakPolarHBondContact CA-OD2 3.03Å; I336-D340 HydrophobicContact CB-CB 4.2Å; I336-D340 HydrophobicContact CG2-CB 4.39Å; I336-L344 HydrophobicContact CD1-CD1 3.44Å; I336-L344 VanDerWaalsContact CD1-CD1 3.44Å; I336-L344 HydrophobicContact CD1-CD2 4.03Å; I336-L344 HydrophobicContact CD1-CG 4.37Å; I336-A352 HydrophobicContact CD1-CB 3.93Å; I336-A352 HydrophobicContact CG1-CB 3.93Å; I336-A352 HydrophobicContact CG2-CB 4.05Å; I336-C353 WeakPolarHBondContact CG1-O 3.44Å; I336-C353 PolarHBondContact N-O 2.8Å; I336-T354 WeakPolarHBondContact O-CB 3.39Å; I336-T354 PolarHBondContact O-OG1 3.01Å; I336-F359 HydrophobicContact CD1-CE1 4.27Å; I336-F359 HydrophobicContact CD1-CZ 4.21Å | ||
| 337 | N | 95.3 | Very high | 89.1 | Confident | 6 Ų | 6 | 39.3 Ų | 39.3 | 3% | 0.032 | 22% | 0.221 | C | C | . | . | trans | -137.3 | -178.4 | 175.7 | 65.5 | 36 | 0 | 0 | 0 | 111.6 | F143 A339 D340 E356 | F143-N337 WeakPolarHBondContact CB-ND2 3.39Å; F143-N337 PolarHBondContact O-ND2 2.93Å; N337-A339 PolarHBondContact O-N 2.72Å; N337-A339 VanDerWaalsContact O-N 3.07Å; N337-A339 VanDerWaalsContact OD1-CB 3.24Å; N337-A339 WeakPolarHBondContact OD1-CB 3.34Å; N337-A339 PolarHBondContact OD1-N 3.04Å; N337-D340 PolarHBondContact N-OD2 2.64Å; N337-D340 WeakPolarHBondContact O-CB 2.83Å; N337-D340 PolarHBondContact O-N 3.14Å; N337-E356 VanDerWaalsContact C-OE2 3.31Å; N337-E356 WeakPolarHBondContact CA-OE2 3.32Å; N337-E356 WeakPolarHBondContact CB-OE2 3.48Å | ||
| 338 | I | 94.6 | Very high | 89.9 | Confident | 84 Ų | 84 | 46.7 Ų | 46.7 | 43% | 0.431 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -51.3 | -30.6 | 179.5 | -74.1 | 149.8 | 0 | 0 | 0 | 113.2 | D340 I341 E356 I358 | I338-D340 PolarHBondContact O-N 3.39Å; I338-I341 HydrophobicContact CB-CD1 4.34Å; I338-I341 HydrophobicContact CG1-CD1 4.48Å; I338-I341 HydrophobicContact CG2-CD1 4.07Å; I338-I341 WeakPolarHBondContact O-CD1 3.27Å; I338-I341 VanDerWaalsContact O-CG1 3.25Å; I338-I341 WeakPolarHBondContact O-CG1 3.47Å; I338-I341 PolarHBondContact O-N 2.79Å; I338-E356 VanDerWaalsContact CG1-OE2 3.27Å; I338-E356 WeakPolarHBondContact CG1-OE2 3.4Å; I338-E356 PolarHBondContact N-OE2 3.47Å; I338-I358 HydrophobicContact CD1-CG2 4.02Å; I338-I358 HydrophobicContact CG1-CG2 3.84Å |
| 339 | A | 92.5 | Very high | 90.9 | Very high | 69 Ų | 69 | 43.8 Ų | 43.8 | 57% | 0.57 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -69.2 | -20.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N337 | N337-A339 PolarHBondContact O-N 2.72Å; N337-A339 VanDerWaalsContact O-N 3.07Å; N337-A339 VanDerWaalsContact OD1-CB 3.24Å; N337-A339 WeakPolarHBondContact OD1-CB 3.34Å; N337-A339 PolarHBondContact OD1-N 3.04Å |
| 340 | D | 93.9 | Very high | 92 | Very high | 21 Ų | 21 | 42.3 Ų | 42.3 | 11% | 0.112 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -83.4 | -8.1 | 178.6 | -63.2 | -59.8 | 0 | 0 | 0 | 113.9 | K144 I336 N337 I338 S342 T343 L344 | K144-D340 VanDerWaalsContact CE-OD1 3.27Å; K144-D340 WeakPolarHBondContact CE-OD1 2.92Å; K144-D340 IonicContact NZ-OD1 2.65Å; K144-D340 PolarHBondContact NZ-OD1 3.35Å; K144-D340 IonicContact NZ-OD2 3.35Å; K144-D340 PolarHBondContact NZ-OD2 3.48Å; I336-D340 VanDerWaalsContact CA-OD2 3.24Å; I336-D340 WeakPolarHBondContact CA-OD2 3.03Å; I336-D340 HydrophobicContact CB-CB 4.2Å; I336-D340 HydrophobicContact CG2-CB 4.39Å; N337-D340 PolarHBondContact N-OD2 2.64Å; N337-D340 WeakPolarHBondContact O-CB 2.83Å; N337-D340 PolarHBondContact O-N 3.14Å; I338-D340 PolarHBondContact O-N 3.39Å; D340-S342 VanDerWaalsContact C-N 3.29Å; D340-S342 PolarHBondContact O-N 3.05Å; D340-S342 VanDerWaalsContact O-N 3.17Å; D340-T343 WeakPolarHBondContact O-CA 3.17Å; D340-T343 WeakPolarHBondContact O-CB 3.45Å; D340-T343 PolarHBondContact O-N 3.44Å; D340-L344 HydrophobicContact CB-CD1 4.32Å; D340-L344 HydrophobicContact CB-CG 4.44Å; D340-L344 WeakPolarHBondContact O-CG 3.09Å; D340-L344 PolarHBondContact O-N 2.76Å |
| 341 | I | 95 | Very high | 92.8 | Very high | 23 Ų | 23 | 41.5 Ų | 41.5 | 12% | 0.118 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -49.6 | -47.7 | -174 | -72.5 | 172.2 | 0 | 0 | 0 | 112.3 | I338 T343 L344 E345 F359 K362 L365 | I338-I341 HydrophobicContact CB-CD1 4.34Å; I338-I341 HydrophobicContact CG1-CD1 4.48Å; I338-I341 HydrophobicContact CG2-CD1 4.07Å; I338-I341 WeakPolarHBondContact O-CD1 3.27Å; I338-I341 VanDerWaalsContact O-CG1 3.25Å; I338-I341 WeakPolarHBondContact O-CG1 3.47Å; I338-I341 PolarHBondContact O-N 2.79Å; I341-T343 PolarHBondContact O-N 2.87Å; I341-L344 PolarHBondContact O-N 2.9Å; I341-L344 VanDerWaalsContact O-N 3.14Å; I341-E345 WeakPolarHBondContact O-CG 3.45Å; I341-E345 PolarHBondContact O-N 3.07Å; I341-F359 HydrophobicContact CG1-CE1 4.04Å; I341-F359 HydrophobicContact CG1-CZ 4.02Å; I341-K362 HydrophobicContact CD1-CD 3.9Å; I341-L365 HydrophobicContact CB-CD1 4.46Å; I341-L365 HydrophobicContact CG1-CD1 3.95Å; I341-L365 HydrophobicContact CG2-CD1 4.06Å; I341-L365 HydrophobicContact CG2-CD2 4.12Å |
| 342 | S | 93.3 | Very high | 93.7 | Very high | 77 Ų | 77 | 37.4 Ų | 37.4 | 54% | 0.538 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.3 | -25.5 | 179.4 | 55.9 | 0 | 0 | 0 | 0 | 113.9 | D340 | D340-S342 VanDerWaalsContact C-N 3.29Å; D340-S342 PolarHBondContact O-N 3.05Å; D340-S342 VanDerWaalsContact O-N 3.17Å |
| 343 | T | 91.8 | Very high | 94.1 | Very high | 57 Ų | 57 | 37.2 Ų | 37.2 | 35% | 0.35 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -78.2 | -44 | 173.8 | -56.9 | 0 | 0 | 0 | 0 | 110.4 | F333 D340 I341 E345 T346 E347 | F333-T343 HydrophobicContact CE2-CG2 4.27Å; D340-T343 WeakPolarHBondContact O-CA 3.17Å; D340-T343 WeakPolarHBondContact O-CB 3.45Å; D340-T343 PolarHBondContact O-N 3.44Å; I341-T343 PolarHBondContact O-N 2.87Å; T343-E345 VanDerWaalsContact C-N 3.3Å; T343-E345 PolarHBondContact O-N 3.36Å; T343-T346 PolarHBondContact O-N 3.24Å; T343-T346 PolarHBondContact O-OG1 3.17Å; T343-E347 HydrophobicContact CG2-CG 4.29Å; T343-E347 WeakPolarHBondContact O-CG 3.28Å; T343-E347 PolarHBondContact O-N 2.87Å |
| 344 | L | 93.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.4 | -32.7 | -178.8 | -58 | 166.6 | 0 | 0 | 0 | 112.7 | F333 I336 D340 I341 T346 E347 Y350 F359 | F333-L344 HydrophobicContact CD2-CD2 4.02Å; F333-L344 HydrophobicContact CE2-CD2 4.06Å; I336-L344 HydrophobicContact CD1-CD1 3.44Å; I336-L344 VanDerWaalsContact CD1-CD1 3.44Å; I336-L344 HydrophobicContact CD1-CD2 4.03Å; I336-L344 HydrophobicContact CD1-CG 4.37Å; D340-L344 HydrophobicContact CB-CD1 4.32Å; D340-L344 HydrophobicContact CB-CG 4.44Å; D340-L344 WeakPolarHBondContact O-CG 3.09Å; D340-L344 PolarHBondContact O-N 2.76Å; I341-L344 PolarHBondContact O-N 2.9Å; I341-L344 VanDerWaalsContact O-N 3.14Å; L344-T346 PolarHBondContact O-N 3.43Å; L344-E347 PolarHBondContact O-N 3.49Å; L344-Y350 HydrophobicContact CB-CE1 4.31Å; L344-Y350 HydrophobicContact CD2-CD1 4.21Å; L344-Y350 HydrophobicContact CD2-CE1 3.73Å; L344-Y350 HydrophobicContact CD2-CE2 4.16Å; L344-F359 HydrophobicContact CD1-CE1 3.78Å; L344-F359 HydrophobicContact CD1-CZ 4.22Å |
| 345 | E | 93.4 | Very high | 94.3 | Very high | 131 Ų | 131 | 37.7 Ų | 37.7 | 61% | 0.612 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -22.7 | 173 | -72.9 | 173.6 | 173 | 0 | 0 | 113.2 | I341 T343 L365 | I341-E345 WeakPolarHBondContact O-CG 3.45Å; I341-E345 PolarHBondContact O-N 3.07Å; T343-E345 VanDerWaalsContact C-N 3.3Å; T343-E345 PolarHBondContact O-N 3.36Å; E345-L365 HydrophobicContact CG-CD2 3.4Å |
| 346 | T | 91.9 | Very high | 94.2 | Very high | 97 Ų | 97 | 39.4 Ų | 39.4 | 60% | 0.595 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -11.6 | -176.7 | 65.4 | 0 | 0 | 0 | 0 | 114.9 | T343 L344 | T343-T346 PolarHBondContact O-N 3.24Å; T343-T346 PolarHBondContact O-OG1 3.17Å; L344-T346 PolarHBondContact O-N 3.43Å |
| 347 | E | 91.4 | Very high | 94 | Very high | 34 Ų | 34 | 45 Ų | 45 | 16% | 0.159 | 24% | 0.242 | C | C | . | . | trans | -100.9 | 119.2 | -171.3 | -72.2 | -95.4 | -142.6 | 0 | 0 | 110.4 | R161 R293 R331 F333 T343 L344 S349 Y350 | R161-E347 IonicContact CZ-OE1 2.75Å; R161-E347 IonicContact NH1-OE1 3.82Å; R161-E347 PolarHBondContact NH1-OE1 3Å; R161-E347 IonicContact NH2-OE1 2.7Å; R161-E347 PolarHBondContact NH2-OE1 3.3Å; R293-E347 VanDerWaalsContact CD-O 3.22Å; R293-E347 WeakPolarHBondContact CD-O 3.25Å; R331-E347 IonicContact NH1-OE2 3.12Å; F333-E347 HydrophobicContact CE2-CB 4.49Å; F333-E347 HydrophobicContact CE2-CG 4.19Å; F333-E347 HydrophobicContact CZ-CB 3.89Å; F333-E347 HydrophobicContact CZ-CG 3.64Å; F333-E347 WeakPolarHBondContact CZ-OE1 3.44Å; T343-E347 HydrophobicContact CG2-CG 4.29Å; T343-E347 WeakPolarHBondContact O-CG 3.28Å; T343-E347 PolarHBondContact O-N 2.87Å; L344-E347 PolarHBondContact O-N 3.49Å; E347-S349 PolarHBondContact O-N 3.23Å; E347-Y350 HydrophobicContact CB-CD1 4.39Å | ||
| 348 | F | 88.6 | Confident | 94 | Very high | 170 Ų | 170 | 48.4 Ų | 48.4 | 75% | 0.746 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -75.1 | -21.6 | -173.5 | -64.3 | -83.2 | 0 | 0 | 0 | 114.3 | P328 | P328-F348 HydrophobicContact CG-CB 4.26Š|
| 349 | S | 91.8 | Very high | 94.1 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -150.3 | 127 | -176.4 | -169.5 | 0 | 0 | 0 | 0 | 110.7 | R291 L330 E347 | R291-S349 WeakPolarHBondContact CB-OG 3.47Å; R291-S349 WeakPolarHBondContact O-CA 3.16Å; R291-S349 WeakPolarHBondContact O-CB 3.45Å; R291-S349 PolarHBondContact O-OG 2.84Å; L330-S349 WeakPolarHBondContact CD1-OG 2.93Å; E347-S349 PolarHBondContact O-N 3.23Å |
| 350 | Y | 93.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 159.3 | 174.9 | 66.5 | -104.8 | 0 | 0 | 0 | 111.6 | R293 L294 F333 L344 E347 A352 L365 | R293-Y350 HydrophobicContact CB-CD1 4.02Å; R293-Y350 HydrophobicContact CB-CE1 3.68Å; R293-Y350 HydrophobicContact CB-CE2 4.37Å; R293-Y350 HydrophobicContact CG-CD1 3.85Å; R293-Y350 HydrophobicContact CG-CE1 3.77Å; L294-Y350 PolarHBondContact N-O 3.42Å; L294-Y350 WeakPolarHBondContact O-CE2 3.45Å; F333-Y350 HydrophobicContact CD1-CG 4.47Å; F333-Y350 VanDerWaalsContact CE1-CB 3.44Å; F333-Y350 HydrophobicContact CE1-CG 4.44Å; L344-Y350 HydrophobicContact CB-CE1 4.31Å; L344-Y350 HydrophobicContact CD2-CD1 4.21Å; L344-Y350 HydrophobicContact CD2-CE1 3.73Å; L344-Y350 HydrophobicContact CD2-CE2 4.16Å; E347-Y350 HydrophobicContact CB-CD1 4.39Å; Y350-A352 HydrophobicContact CD2-CB 3.72Å; Y350-A352 HydrophobicContact CE2-CB 3.83Å; Y350-L365 PolarHBondContact OH-O 2.94Å |
| 351 | V | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 128.3 | 158.6 | -168.2 | 0 | 0 | 0 | 0 | 108.5 | L294 V309 C312 L330 R331 F333 | L294-V351 HydrophobicContact CB-CB 4.47Å; L294-V351 HydrophobicContact CB-CG1 4.03Å; L294-V351 HydrophobicContact CB-CG2 4.33Å; L294-V351 HydrophobicContact CD2-CG2 4.42Å; V309-V351 HydrophobicContact CB-CG1 4.23Å; V309-V351 HydrophobicContact CG1-CB 3.98Å; V309-V351 HydrophobicContact CG1-CG1 3.92Å; V309-V351 WeakPolarHBondContact CG1-O 3.45Å; V309-V351 HydrophobicContact CG2-CG1 4.17Å; C312-V351 HydrophobicContact CB-CG1 3.84Å; C312-V351 HydrophobicContact CB-CG2 4.24Å; L330-V351 HydrophobicContact CD1-CG2 3.77Å; L330-V351 HydrophobicContact CD2-CG2 4.16Å; L330-V351 HydrophobicContact CG-CG2 4.04Å; R331-V351 PolarHBondContact O-N 2.6Å; R331-V351 VanDerWaalsContact O-N 3.09Å; F333-V351 PolarHBondContact N-O 2.76Å |
| 352 | A | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 164.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L294 L295 I296 F333 F334 I336 Y350 | L294-A352 PolarHBondContact O-N 3.42Å; L295-A352 HydrophobicContact CD1-CB 4.25Å; I296-A352 PolarHBondContact N-O 2.87Å; F333-A352 HydrophobicContact CB-CB 3.9Å; F334-A352 CarbonylContact O-C 3.58Å; F334-A352 WeakPolarHBondContact O-CA 3.46Å; I336-A352 HydrophobicContact CD1-CB 3.93Å; I336-A352 HydrophobicContact CG1-CB 3.93Å; I336-A352 HydrophobicContact CG2-CB 4.05Å; Y350-A352 HydrophobicContact CD2-CB 3.72Å; Y350-A352 HydrophobicContact CE2-CB 3.83Å |
| 353 | C | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 154.8 | 171.2 | 63.2 | 0 | 0 | 0 | 0 | 112.7 | I296 V305 V309 F334 Y335 I336 | I296-C353 HydrophobicContact CB-CB 4.12Å; I296-C353 CarbonylContact O-C 3.6Å; I296-C353 WeakPolarHBondContact O-CA 3.04Å; I296-C353 WeakPolarHBondContact O-CB 3.46Å; V305-C353 HydrophobicContact CB-CB 4.33Å; V305-C353 HydrophobicContact CG1-CB 3.54Å; V309-C353 HydrophobicContact CG2-CB 3.87Å; F334-C353 PolarHBondContact O-N 2.89Å; Y335-C353 WeakPolarHBondContact CA-O 3.41Å; I336-C353 WeakPolarHBondContact CG1-O 3.44Å; I336-C353 PolarHBondContact N-O 2.8Å |
| 354 | T | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 155.2 | -179.7 | -165.8 | 0 | 0 | 0 | 0 | 112.7 | L295 I296 F297 S298 I336 E356 F359 | L295-T354 HydrophobicContact CD1-CG2 3.87Å; L295-T354 HydrophobicContact CD2-CG2 4.38Å; L295-T354 HydrophobicContact CG-CG2 4.32Å; I296-T354 PolarHBondContact O-N 3.14Å; F297-T354 WeakPolarHBondContact CA-O 3.44Å; S298-T354 PolarHBondContact N-O 3.37Å; I336-T354 WeakPolarHBondContact O-CB 3.39Å; I336-T354 PolarHBondContact O-OG1 3.01Å; T354-E356 PolarHBondContact OG1-N 2.74Å; T354-F359 HydrophobicContact CG2-CB 4.31Å; T354-F359 HydrophobicContact CG2-CD2 3.76Å; T354-F359 HydrophobicContact CG2-CE2 4.43Å; T354-F359 HydrophobicContact CG2-CG 4.23Å |
| 355 | T | 96.9 | Very high | 94.8 | Very high | 16 Ų | 16 | 55.6 Ų | 55.6 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -95.1 | -4 | 170.1 | 54.5 | 0 | 0 | 0 | 0 | 112.9 | A147 S148 F297 S298 P300 I302 Y335 | A147-T355 HydrophobicContact CB-CG2 4.15Å; S148-T355 WeakPolarHBondContact O-CB 3.49Å; S148-T355 WeakPolarHBondContact O-CG2 3.48Å; S148-T355 PolarHBondContact O-OG1 2.97Å; F297-T355 WeakPolarHBondContact CE2-O 3.42Å; S298-T355 WeakPolarHBondContact O-CA 3.44Å; S298-T355 WeakPolarHBondContact O-CG2 3.36Å; P300-T355 HydrophobicContact CG-CG2 3.77Å; I302-T355 HydrophobicContact CD1-CG2 3.53Å; I302-T355 HydrophobicContact CG1-CG2 3.56Å; Y335-T355 HydrophobicContact CE2-CG2 4.01Å; Y335-T355 PolarHBondContact OH-OG1 2.73Å; Y335-T355 VanDerWaalsContact OH-OG1 3.11Å |
| 356 | E | 95.1 | Very high | 94.9 | Very high | 37 Ų | 37 | 49.9 Ų | 49.9 | 17% | 0.173 | 24% | 0.24 | C | C | . | . | trans | -102 | 103 | -165.2 | -61.6 | 179.7 | 150.6 | 0 | 0 | 111.2 | N337 I338 T354 I358 F359 | N337-E356 VanDerWaalsContact C-OE2 3.31Å; N337-E356 WeakPolarHBondContact CA-OE2 3.32Å; N337-E356 WeakPolarHBondContact CB-OE2 3.48Å; I338-E356 VanDerWaalsContact CG1-OE2 3.27Å; I338-E356 WeakPolarHBondContact CG1-OE2 3.4Å; I338-E356 PolarHBondContact N-OE2 3.47Å; T354-E356 PolarHBondContact OG1-N 2.74Å; E356-I358 HydrophobicContact CB-CG2 4.09Å; E356-I358 PolarHBondContact O-N 2.82Å; E356-F359 HydrophobicContact CB-CD2 4.09Å; E356-F359 HydrophobicContact CB-CE2 4.28Å; E356-F359 WeakPolarHBondContact O-CD2 3.49Å; E356-F359 PolarHBondContact O-N 3.1Å; E356-F359 VanDerWaalsContact O-N 3.11Å | ||
| 357 | K | 94.1 | Very high | 95.2 | Very high | 120 Ų | 120 | 46.2 Ų | 46.2 | 52% | 0.522 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -62 | -15.8 | -174.9 | -165.3 | 164 | -175.3 | 169.3 | 0 | 114.5 | F297 F359 E360 | F297-K357 HydrophobicContact CE2-CB 3.85Å; F297-K357 HydrophobicContact CE2-CG 4.41Å; F297-K357 HydrophobicContact CZ-CB 4.16Å; F297-K357 HydrophobicContact CZ-CD 4.41Å; F297-K357 HydrophobicContact CZ-CG 4.44Å; K357-F359 PolarHBondContact O-N 3.17Å; K357-E360 WeakPolarHBondContact CE-OE2 3.11Å; K357-E360 IonicContact NZ-OE2 3.68Å; K357-E360 WeakPolarHBondContact O-CB 3.27Å; K357-E360 PolarHBondContact O-N 3.33Å |
| 358 | I | 95.2 | Very high | 95.5 | Very high | 76 Ų | 76 | 44.6 Ų | 44.6 | 39% | 0.39 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -54.2 | -24.5 | 171.8 | -164 | 172.6 | 0 | 0 | 0 | 113.3 | I338 E356 E360 D361 K362 | I338-I358 HydrophobicContact CD1-CG2 4.02Å; I338-I358 HydrophobicContact CG1-CG2 3.84Å; E356-I358 HydrophobicContact CB-CG2 4.09Å; E356-I358 PolarHBondContact O-N 2.82Å; I358-E360 VanDerWaalsContact C-N 3.29Å; I358-E360 PolarHBondContact O-N 3.03Å; I358-D361 PolarHBondContact O-N 3.39Å; I358-K362 HydrophobicContact CG1-CD 4.32Å; I358-K362 PolarHBondContact O-N 3.37Å |
| 359 | F | 96.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -65.9 | -28.6 | 174.9 | -78.7 | -82.5 | 0 | 0 | 0 | 112.7 | L295 I336 I341 L344 T354 E356 K357 D361 K362 L365 Y366 Y369 | L295-F359 HydrophobicContact CD2-CB 3.64Å; L295-F359 HydrophobicContact CD2-CD1 3.66Å; L295-F359 HydrophobicContact CD2-CE1 4.5Å; L295-F359 HydrophobicContact CD2-CG 3.75Å; I336-F359 HydrophobicContact CD1-CE1 4.27Å; I336-F359 HydrophobicContact CD1-CZ 4.21Å; I341-F359 HydrophobicContact CG1-CE1 4.04Å; I341-F359 HydrophobicContact CG1-CZ 4.02Å; L344-F359 HydrophobicContact CD1-CE1 3.78Å; L344-F359 HydrophobicContact CD1-CZ 4.22Å; T354-F359 HydrophobicContact CG2-CB 4.31Å; T354-F359 HydrophobicContact CG2-CD2 3.76Å; T354-F359 HydrophobicContact CG2-CE2 4.43Å; T354-F359 HydrophobicContact CG2-CG 4.23Å; E356-F359 HydrophobicContact CB-CD2 4.09Å; E356-F359 HydrophobicContact CB-CE2 4.28Å; E356-F359 WeakPolarHBondContact O-CD2 3.49Å; E356-F359 PolarHBondContact O-N 3.1Å; E356-F359 VanDerWaalsContact O-N 3.11Å; K357-F359 PolarHBondContact O-N 3.17Å; F359-D361 PolarHBondContact O-N 3.12Å; F359-K362 PolarHBondContact O-N 3.49Å; F359-L365 HydrophobicContact CD1-CD1 3.85Å; F359-L365 HydrophobicContact CE1-CD1 3.66Å; F359-Y366 VanDerWaalsContact O-CE1 3.27Å; F359-Y366 WeakPolarHBondContact O-CE1 3.21Å; F359-Y369 HydrophobicContact CB-CE2 4.41Å |
| 360 | E | 95.8 | Very high | 96.2 | Very high | 49 Ų | 49 | 36.5 Ų | 36.5 | 23% | 0.229 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -59.4 | -31.9 | 178.5 | -167.2 | 162.9 | -151.9 | 0 | 0 | 112.7 | K357 I358 Y366 Y369 K376 | K357-E360 WeakPolarHBondContact CE-OE2 3.11Å; K357-E360 IonicContact NZ-OE2 3.68Å; K357-E360 WeakPolarHBondContact O-CB 3.27Å; K357-E360 PolarHBondContact O-N 3.33Å; I358-E360 VanDerWaalsContact C-N 3.29Å; I358-E360 PolarHBondContact O-N 3.03Å; E360-Y366 PolarHBondContact O-OH 2.93Å; E360-Y369 HydrophobicContact CB-CE1 4.04Å; E360-Y369 HydrophobicContact CB-CE2 4.37Å; E360-Y369 HydrophobicContact CG-CD1 4.42Å; E360-Y369 HydrophobicContact CG-CE1 3.82Å; E360-K376 IonicContact OE1-NZ 2.75Å; E360-K376 PolarHBondContact OE1-NZ 3.42Å |
| 361 | D | 95.6 | Very high | 96.3 | Very high | 128 Ų | 128 | 38.3 Ų | 38.3 | 68% | 0.684 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -28.6 | 176 | -67.1 | -46.2 | 0 | 0 | 0 | 113.1 | I358 F359 K363 | I358-D361 PolarHBondContact O-N 3.39Å; F359-D361 PolarHBondContact O-N 3.12Å; D361-K363 PolarHBondContact O-N 2.8Å |
| 362 | K | 95.7 | Very high | 96 | Very high | 77 Ų | 77 | 42.9 Ų | 42.9 | 34% | 0.335 | 21% | 0.207 | S | C | . | . | trans | -82.5 | 56 | -176.4 | -71.3 | 174.9 | 165.9 | -73.6 | 0 | 112.4 | I341 I358 F359 E364 L365 | I341-K362 HydrophobicContact CD1-CD 3.9Å; I358-K362 HydrophobicContact CG1-CD 4.32Å; I358-K362 PolarHBondContact O-N 3.37Å; F359-K362 PolarHBondContact O-N 3.49Å; K362-E364 VanDerWaalsContact C-N 3.27Å; K362-E364 PolarHBondContact O-N 3.08Å; K362-E364 VanDerWaalsContact O-N 3.11Å; K362-L365 HydrophobicContact CB-CD1 3.76Å; K362-L365 HydrophobicContact CB-CG 4.15Å; K362-L365 HydrophobicContact CD-CD1 4.02Å; K362-L365 HydrophobicContact CG-CD1 4.45Å; K362-L365 WeakPolarHBondContact O-CB 3.42Å; K362-L365 PolarHBondContact O-N 2.79Å; K362-L365 VanDerWaalsContact O-N 3.13Å | ||
| 363 | K | 94.9 | Very high | 95.7 | Very high | 101 Ų | 101 | 47.4 Ų | 47.4 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -52.6 | -36 | -170.6 | -71.9 | 165.2 | -172.2 | 169 | 0 | 114.8 | D361 L365 H378 | D361-K363 PolarHBondContact O-N 2.8Å; K363-L365 PolarHBondContact O-N 3.31Å; K363-H378 HydrophobicContact CD-CB 4.29Å; K363-H378 HydrophobicContact CG-CB 4.41Å; K363-H378 PolarHBondContact O-CE1 3.17Å |
| 364 | E | 94.9 | Very high | 95.5 | Very high | 122 Ų | 122 | 51.8 Ų | 51.8 | 57% | 0.57 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -65.6 | -21 | -177.3 | -59.4 | -54.1 | 148.5 | 0 | 0 | 114.7 | R293 K362 Y366 R379 | R293-E364 PolarHBondContact NH1-O 3.24Å; R293-E364 PolarHBondContact NH2-O 3.03Å; K362-E364 VanDerWaalsContact C-N 3.27Å; K362-E364 PolarHBondContact O-N 3.08Å; K362-E364 VanDerWaalsContact O-N 3.11Å; E364-Y366 PolarHBondContact O-N 3.07Å; E364-R379 IonicContact OE1-NH1 2.75Å; E364-R379 IonicContact OE2-CZ 3.78Å; E364-R379 VanDerWaalsContact OE2-CZ 3.23Å; E364-R379 IonicContact OE2-NH1 3.34Å; E364-R379 PolarHBondContact OE2-NH1 3.09Å; E364-R379 IonicContact OE2-NH2 3.5Å; E364-R379 PolarHBondContact OE2-NH2 3.08Å |
| 365 | L | 95.8 | Very high | 95.5 | Very high | 7 Ų | 7 | 52.7 Ų | 52.7 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -71.8 | -28.3 | -175.1 | -60.6 | -176.5 | 0 | 0 | 0 | 113.5 | R293 I341 E345 Y350 F359 K362 K363 | R293-L365 PolarHBondContact NH1-O 3.31Å; I341-L365 HydrophobicContact CB-CD1 4.46Å; I341-L365 HydrophobicContact CG1-CD1 3.95Å; I341-L365 HydrophobicContact CG2-CD1 4.06Å; I341-L365 HydrophobicContact CG2-CD2 4.12Å; E345-L365 HydrophobicContact CG-CD2 3.4Å; Y350-L365 PolarHBondContact OH-O 2.94Å; F359-L365 HydrophobicContact CD1-CD1 3.85Å; F359-L365 HydrophobicContact CE1-CD1 3.66Å; K362-L365 HydrophobicContact CB-CD1 3.76Å; K362-L365 HydrophobicContact CB-CG 4.15Å; K362-L365 HydrophobicContact CD-CD1 4.02Å; K362-L365 HydrophobicContact CG-CD1 4.45Å; K362-L365 WeakPolarHBondContact O-CB 3.42Å; K362-L365 PolarHBondContact O-N 2.79Å; K362-L365 VanDerWaalsContact O-N 3.13Å; K363-L365 PolarHBondContact O-N 3.31Å |
| 366 | Y | 96.9 | Very high | 95.4 | Very high | 10 Ų | 10 | 55.6 Ų | 55.6 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | trans | -127.8 | 172.2 | -178 | 58.3 | -91.5 | 0 | 0 | 0 | 110.7 | R293 L295 F359 E360 E364 Y369 H378 | R293-Y366 PolarHBondContact NH2-O 2.84Å; L295-Y366 HydrophobicContact CB-CG 4.37Å; L295-Y366 HydrophobicContact CD2-CD1 4.1Å; F359-Y366 VanDerWaalsContact O-CE1 3.27Å; F359-Y366 WeakPolarHBondContact O-CE1 3.21Å; E360-Y366 PolarHBondContact O-OH 2.93Å; E364-Y366 PolarHBondContact O-N 3.07Å; Y366-Y369 HydrophobicContact CE1-CD2 4.23Å; Y366-Y369 VanDerWaalsContact CE2-CB 3.46Å; Y366-Y369 HydrophobicContact CE2-CG 4.37Å; Y366-H378 AromaticContact CE2-ND1 3.96Å; Y366-H378 PolarHBondContact O-CE1 3.09Å | ||
| 367 | D | 97.1 | Very high | 95.5 | Very high | 20 Ų | 20 | 54.6 Ų | 54.6 | 11% | 0.107 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -109.4 | -30.8 | 170.3 | -56.1 | -53 | 0 | 0 | 0 | 111 | K292 R293 T377 R379 L382 | K292-D367 HydrophobicContact CB-CB 4.05Å; R293-D367 WeakPolarHBondContact CB-OD2 3.32Å; R293-D367 WeakPolarHBondContact CG-OD2 3.25Å; R293-D367 IonicContact CZ-OD1 3.23Å; R293-D367 IonicContact CZ-OD2 2.78Å; R293-D367 PolarHBondContact N-OD2 3.19Å; R293-D367 IonicContact NE-OD1 2.76Å; R293-D367 PolarHBondContact NE-OD1 2.87Å; R293-D367 IonicContact NE-OD2 3.69Å; R293-D367 PolarHBondContact NE-OD2 3.26Å; R293-D367 IonicContact NH2-OD1 2.77Å; R293-D367 PolarHBondContact NH2-OD1 3.32Å; R293-D367 IonicContact NH2-OD2 3.77Å; R293-D367 PolarHBondContact O-N 3.21Å; D367-T377 WeakPolarHBondContact O-CB 3.43Å; D367-T377 PolarHBondContact O-OG1 3.08Å; D367-R379 IonicContact OD1-NE 2.93Å; D367-L382 HydrophobicContact CB-CD1 3.94Å |
| 368 | V | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 127.7 | 177.8 | -175.2 | 0 | 0 | 0 | 0 | 109.9 | F287 R293 L294 L295 I370 V375 K376 | F287-V368 HydrophobicContact CB-CG2 4.1Å; F287-V368 HydrophobicContact CD1-CG2 3.61Å; F287-V368 HydrophobicContact CD2-CG1 4.3Å; F287-V368 HydrophobicContact CD2-CG2 3.88Å; F287-V368 HydrophobicContact CE1-CG2 3.88Å; F287-V368 HydrophobicContact CE2-CG1 4.46Å; F287-V368 HydrophobicContact CE2-CG2 4.11Å; F287-V368 HydrophobicContact CG-CG2 3.62Å; F287-V368 HydrophobicContact CZ-CG2 4.12Å; R293-V368 PolarHBondContact O-N 3.31Å; L294-V368 HydrophobicContact CD1-CB 4.33Å; L294-V368 HydrophobicContact CD1-CG2 4.38Å; L294-V368 HydrophobicContact CG-CB 4.16Å; L295-V368 PolarHBondContact N-O 3.35Å; V368-I370 HydrophobicContact CG1-CG1 4.11Å; V368-V375 HydrophobicContact CG1-CG1 3.45Å; V368-V375 VanDerWaalsContact CG1-CG1 3.45Å; V368-K376 WeakPolarHBondContact CA-O 3.42Å |
| 369 | Y | 97.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 133 | 172.9 | -173.5 | -102.6 | 0 | 0 | 0 | 109.3 | L295 F297 F359 E360 Y366 D371 K376 | L295-Y369 HydrophobicContact CB-CD2 4.43Å; L295-Y369 HydrophobicContact CD2-CD2 4.37Å; L295-Y369 HydrophobicContact CD2-CE2 4.49Å; L295-Y369 HydrophobicContact CG-CD2 4.26Å; L295-Y369 HydrophobicContact CG-CE2 4.48Å; L295-Y369 CarbonylContact O-C 3.54Å; L295-Y369 WeakPolarHBondContact O-CA 3.35Å; F297-Y369 HydrophobicContact CB-CE1 4.25Å; F297-Y369 HydrophobicContact CB-CE2 3.96Å; F297-Y369 WeakPolarHBondContact CB-OH 3.29Å; F297-Y369 WeakPolarHBondContact CG-OH 3.49Å; F359-Y369 HydrophobicContact CB-CE2 4.41Å; E360-Y369 HydrophobicContact CB-CE1 4.04Å; E360-Y369 HydrophobicContact CB-CE2 4.37Å; E360-Y369 HydrophobicContact CG-CD1 4.42Å; E360-Y369 HydrophobicContact CG-CE1 3.82Å; Y366-Y369 HydrophobicContact CE1-CD2 4.23Å; Y366-Y369 VanDerWaalsContact CE2-CB 3.46Å; Y366-Y369 HydrophobicContact CE2-CG 4.37Å; Y369-D371 HydrophobicContact CD1-CB 4.28Å; Y369-D371 HydrophobicContact CE1-CB 3.9Å; Y369-K376 HydrophobicContact CD1-CD 4.35Å; Y369-K376 PolarHBondContact N-O 3.39Å; Y369-K376 PolarHBondContact O-N 2.95Å |
| 370 | I | 97.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 118.1 | -175.4 | -59 | 165.3 | 0 | 0 | 0 | 107.6 | F277 L284 L294 L295 I296 F297 V368 N374 V375 | F277-I370 HydrophobicContact CE1-CG2 3.87Å; F277-I370 HydrophobicContact CZ-CG2 3.84Å; L284-I370 HydrophobicContact CD1-CD1 3.45Å; L284-I370 VanDerWaalsContact CD1-CD1 3.45Å; L294-I370 HydrophobicContact CD2-CD1 4.49Å; L295-I370 PolarHBondContact O-N 2.82Å; I296-I370 HydrophobicContact CG1-CB 4.2Å; I296-I370 HydrophobicContact CG1-CD1 3.98Å; F297-I370 PolarHBondContact N-O 3.44Å; V368-I370 HydrophobicContact CG1-CG1 4.11Å; I370-N374 WeakPolarHBondContact CA-O 3.25Å; I370-V375 HydrophobicContact CG1-CG1 4.42Å; I370-V375 HydrophobicContact CG1-CG2 4.49Å |
| 371 | D | 95.3 | Very high | 95.1 | Very high | 38 Ų | 38 | 58.1 Ų | 58.1 | 20% | 0.203 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 111.4 | -180 | 177.3 | 19.2 | 0 | 0 | 0 | 108.9 | Y369 Q373 N374 K376 | Y369-D371 HydrophobicContact CD1-CB 4.28Å; Y369-D371 HydrophobicContact CE1-CB 3.9Å; D371-Q373 PolarHBondContact O-N 2.96Å; D371-N374 PolarHBondContact N-O 3.49Å; D371-N374 VanDerWaalsContact N-O 3.1Å; D371-N374 VanDerWaalsContact O-CB 3.3Å; D371-N374 WeakPolarHBondContact O-CB 3.36Å; D371-N374 PolarHBondContact O-N 3.05Å; D371-N374 PolarHBondContact O-ND2 3.41Å; D371-K376 IonicContact OD2-NZ 3.77Å; D371-K376 PolarHBondContact OD2-NZ 2.89Å |
| 372 | N | 90.8 | Very high | 95.1 | Very high | 96 Ų | 96 | 52 Ų | 52 | 51% | 0.513 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | -114.9 | -164.1 | -169 | 35.1 | 0 | 0 | 0 | 110.6 | F276 | F276-N372 WeakPolarHBondContact CE1-O 3.26Å; F276-N372 WeakPolarHBondContact CE2-OD1 3.42Å; F276-N372 WeakPolarHBondContact CZ-OD1 3.21Å |
| 373 | Q | 91.1 | Very high | 95.1 | Very high | 95 Ų | 95 | 52.2 Ų | 52.2 | 44% | 0.444 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -5.1 | 174.9 | -61.1 | 176.8 | 10.8 | 0 | 0 | 113.1 | F276 D371 V375 | F276-Q373 HydrophobicContact CD1-CG 4.13Å; F276-Q373 HydrophobicContact CD2-CG 4.37Å; F276-Q373 HydrophobicContact CE1-CG 3.71Å; F276-Q373 HydrophobicContact CE2-CG 3.97Å; F276-Q373 HydrophobicContact CG-CG 4.45Å; F276-Q373 HydrophobicContact CZ-CG 3.63Å; F276-Q373 VanDerWaalsContact O-CG 3.3Å; F276-Q373 WeakPolarHBondContact O-CG 3.37Å; F276-Q373 PolarHBondContact O-NE2 3.27Å; D371-Q373 PolarHBondContact O-N 2.96Å; Q373-V375 PolarHBondContact O-N 3.45Å |
| 374 | N | 94 | Very high | 95 | Very high | 93 Ų | 93 | 50.1 Ų | 50.1 | 50% | 0.497 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 101.6 | -173.8 | -58.2 | -71.9 | 0 | 0 | 0 | 110.5 | I370 D371 K376 | I370-N374 WeakPolarHBondContact CA-O 3.25Å; D371-N374 PolarHBondContact N-O 3.49Å; D371-N374 VanDerWaalsContact N-O 3.1Å; D371-N374 VanDerWaalsContact O-CB 3.3Å; D371-N374 WeakPolarHBondContact O-CB 3.36Å; D371-N374 PolarHBondContact O-N 3.05Å; D371-N374 PolarHBondContact O-ND2 3.41Å; N374-K376 HydrophobicContact CB-CG 4.49Å; N374-K376 PolarHBondContact O-N 3.49Å |
| 375 | V | 96.1 | Very high | 95 | Very high | 19 Ų | 19 | 44.6 Ų | 44.6 | 12% | 0.115 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 115.9 | 168.7 | -170 | 0 | 0 | 0 | 0 | 108.3 | V283 F287 V368 I370 Q373 L386 | V283-V375 HydrophobicContact CG1-CG1 4.19Å; F287-V375 HydrophobicContact CD2-CG1 4.28Å; F287-V375 HydrophobicContact CE2-CG1 4Å; V368-V375 HydrophobicContact CG1-CG1 3.45Å; V368-V375 VanDerWaalsContact CG1-CG1 3.45Å; I370-V375 HydrophobicContact CG1-CG1 4.42Å; I370-V375 HydrophobicContact CG1-CG2 4.49Å; Q373-V375 PolarHBondContact O-N 3.45Å; V375-L386 HydrophobicContact CB-CD2 4.08Å; V375-L386 HydrophobicContact CG1-CD2 3.73Å; V375-L386 WeakPolarHBondContact O-CD2 3.46Å |
| 376 | K | 95.5 | Very high | 95 | Very high | 76 Ų | 76 | 46 Ų | 46 | 33% | 0.33 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 140 | -178.6 | -59.4 | 169.5 | -176.1 | 161.4 | 0 | 109.3 | E360 V368 Y369 D371 N374 | E360-K376 IonicContact OE1-NZ 2.75Å; E360-K376 PolarHBondContact OE1-NZ 3.42Å; V368-K376 WeakPolarHBondContact CA-O 3.42Å; Y369-K376 HydrophobicContact CD1-CD 4.35Å; Y369-K376 PolarHBondContact N-O 3.39Å; Y369-K376 PolarHBondContact O-N 2.95Å; D371-K376 IonicContact OD2-NZ 3.77Å; D371-K376 PolarHBondContact OD2-NZ 2.89Å; N374-K376 HydrophobicContact CB-CG 4.49Å; N374-K376 PolarHBondContact O-N 3.49Å |
| 377 | T | 96.4 | Very high | 94.9 | Very high | 16 Ų | 16 | 55.1 Ų | 55.1 | 10% | 0.098 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 155.4 | 162.1 | -172.7 | 0 | 0 | 0 | 0 | 109.8 | D367 R379 L382 Q383 L386 | D367-T377 WeakPolarHBondContact O-CB 3.43Å; D367-T377 PolarHBondContact O-OG1 3.08Å; T377-R379 PolarHBondContact OG1-N 3.01Å; T377-L382 HydrophobicContact CG2-CB 3.75Å; T377-Q383 HydrophobicContact CG2-CG 4.3Å; T377-Q383 PolarHBondContact O-NE2 3.25Å; T377-L386 HydrophobicContact CG2-CD1 3.96Å; T377-L386 HydrophobicContact CG2-CG 4.37Å |
| 378 | H | 94.5 | Very high | 94.9 | Very high | 57 Ų | 57 | 56.3 Ų | 56.3 | 26% | 0.264 | 28% | 0.279 | S | S | . | . | trans | -106.8 | -11.5 | 171.1 | 72.9 | -84.2 | 0 | 0 | 0 | 111.9 | K363 Y366 | K363-H378 HydrophobicContact CD-CB 4.29Å; K363-H378 HydrophobicContact CG-CB 4.41Å; K363-H378 PolarHBondContact O-CE1 3.17Å; Y366-H378 AromaticContact CE2-ND1 3.96Å; Y366-H378 PolarHBondContact O-CE1 3.09Å | ||
| 379 | R | 94.4 | Very high | 94.8 | Very high | 60 Ų | 60 | 57.1 Ų | 57.1 | 23% | 0.226 | 28% | 0.283 | C | S | . | . | trans | -78.7 | 124.3 | 179.4 | -60.3 | -67 | -172.3 | -150.9 | -2.2 | 109.1 | E364 D367 T377 H381 L382 Q383 | E364-R379 IonicContact OE1-NH1 2.75Å; E364-R379 IonicContact OE2-CZ 3.78Å; E364-R379 VanDerWaalsContact OE2-CZ 3.23Å; E364-R379 IonicContact OE2-NH1 3.34Å; E364-R379 PolarHBondContact OE2-NH1 3.09Å; E364-R379 IonicContact OE2-NH2 3.5Å; E364-R379 PolarHBondContact OE2-NH2 3.08Å; D367-R379 IonicContact OD1-NE 2.93Å; T377-R379 PolarHBondContact OG1-N 3.01Å; R379-H381 PolarHBondContact O-N 3.11Å; R379-L382 HydrophobicContact CB-CB 4.17Å; R379-L382 HydrophobicContact CB-CD1 3.9Å; R379-L382 HydrophobicContact CB-CG 3.9Å; R379-L382 HydrophobicContact CG-CD1 4.12Å; R379-L382 PolarHBondContact O-N 3.26Å; R379-Q383 PolarHBondContact O-N 3.38Å | ||
| 380 | S | 93.2 | Very high | 94.6 | Very high | 102 Ų | 102 | 60.5 Ų | 60.5 | 71% | 0.713 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -60.6 | -42 | -175.6 | 49.8 | 0 | 0 | 0 | 0 | 113.6 | L382 Q383 | S380-L382 PolarHBondContact O-N 2.95Å; S380-Q383 PolarHBondContact O-N 3.04Å |
| 381 | H | 92.9 | Very high | 94.5 | Very high | 100 Ų | 100 | 61.4 Ų | 61.4 | 46% | 0.463 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -65.1 | -22.9 | 178.6 | 67.5 | -89.2 | 0 | 0 | 0 | 113.5 | R379 P384 | R379-H381 PolarHBondContact O-N 3.11Å; H381-P384 VanDerWaalsContact O-CD 3.31Å; H381-P384 WeakPolarHBondContact O-CD 3.2Å |
| 382 | L | 95.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -89.7 | -13.9 | 179.3 | -61.2 | -173.5 | 0 | 0 | 0 | 113.9 | F287 K292 D367 T377 R379 S380 L385 | F287-L382 HydrophobicContact CE1-CB 4.02Å; F287-L382 HydrophobicContact CE1-CD1 4.32Å; F287-L382 HydrophobicContact CE1-CD2 4.34Å; F287-L382 HydrophobicContact CE1-CG 4.45Å; K292-L382 HydrophobicContact CD-CD1 4.43Å; K292-L382 HydrophobicContact CD-CD2 4.41Å; D367-L382 HydrophobicContact CB-CD1 3.94Å; T377-L382 HydrophobicContact CG2-CB 3.75Å; R379-L382 HydrophobicContact CB-CB 4.17Å; R379-L382 HydrophobicContact CB-CD1 3.9Å; R379-L382 HydrophobicContact CB-CG 3.9Å; R379-L382 HydrophobicContact CG-CD1 4.12Å; R379-L382 PolarHBondContact O-N 3.26Å; S380-L382 PolarHBondContact O-N 2.95Å; L382-L385 HydrophobicContact CD2-CD1 3.79Å; L382-L385 WeakPolarHBondContact O-CB 3.35Å; L382-L385 PolarHBondContact O-N 3.22Å; L382-L385 VanDerWaalsContact O-N 3.16Å |
| 383 | Q | 94.8 | Very high | 94.9 | Very high | 81 Ų | 81 | 59.5 Ų | 59.5 | 38% | 0.379 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -57.4 | -37.6 | 179.3 | -63.2 | -66.1 | -19 | 0 | 0 | 114.5 | T377 R379 S380 L385 L386 | T377-Q383 HydrophobicContact CG2-CG 4.3Å; T377-Q383 PolarHBondContact O-NE2 3.25Å; R379-Q383 PolarHBondContact O-N 3.38Å; S380-Q383 PolarHBondContact O-N 3.04Å; Q383-L385 PolarHBondContact O-N 3.39Å; Q383-L386 PolarHBondContact O-N 3.37Å |
| 384 | P | 93.9 | Very high | 95.1 | Very high | 58 Ų | 58 | 58.2 Ų | 58.2 | 38% | 0.377 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -59.4 | -34.8 | 176.6 | -24.7 | 36.2 | 0 | 0 | 0 | 113.1 | H381 L386 R387 | H381-P384 VanDerWaalsContact O-CD 3.31Å; H381-P384 WeakPolarHBondContact O-CD 3.2Å; P384-L386 PolarHBondContact O-N 3.19Å; P384-R387 WeakPolarHBondContact O-CB 3.41Å; P384-R387 PolarHBondContact O-N 3.12Å; P384-R387 VanDerWaalsContact O-N 3.09Å |
| 385 | L | 94.9 | Very high | 95.3 | Very high | 5 Ų | 5 | 54.3 Ų | 54.3 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -67.3 | -19.8 | -176.6 | -56 | 177 | 0 | 0 | 0 | 113.4 | F287 L290 L382 Q383 R387 F468 | F287-L385 HydrophobicContact CD1-CD1 4.12Å; F287-L385 HydrophobicContact CE1-CB 3.81Å; F287-L385 HydrophobicContact CE1-CD1 3.64Å; F287-L385 HydrophobicContact CE1-CG 4.36Å; F287-L385 HydrophobicContact CE2-CB 4.48Å; F287-L385 HydrophobicContact CZ-CB 3.71Å; F287-L385 HydrophobicContact CZ-CD1 4.41Å; L290-L385 HydrophobicContact CD1-CD1 3.62Å; L382-L385 HydrophobicContact CD2-CD1 3.79Å; L382-L385 WeakPolarHBondContact O-CB 3.35Å; L382-L385 PolarHBondContact O-N 3.22Å; L382-L385 VanDerWaalsContact O-N 3.16Å; Q383-L385 PolarHBondContact O-N 3.39Å; L385-R387 PolarHBondContact O-N 2.7Å; L385-F468 HydrophobicContact CD2-CB 3.56Å; L385-F468 HydrophobicContact CD2-CD2 4.48Å |
| 386 | L | 95.8 | Very high | 95.3 | Very high | 38 Ų | 38 | 55.5 Ų | 55.5 | 20% | 0.199 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -71.7 | -12.2 | 173.8 | -65.5 | 178.1 | 0 | 0 | 0 | 113.5 | V283 F287 V375 T377 Q383 P384 | V283-L386 HydrophobicContact CG1-CD2 4Å; F287-L386 HydrophobicContact CE2-CD2 3.72Å; F287-L386 HydrophobicContact CZ-CD2 3.94Å; F287-L386 HydrophobicContact CZ-CG 4.33Å; V375-L386 HydrophobicContact CB-CD2 4.08Å; V375-L386 HydrophobicContact CG1-CD2 3.73Å; V375-L386 WeakPolarHBondContact O-CD2 3.46Å; T377-L386 HydrophobicContact CG2-CD1 3.96Å; T377-L386 HydrophobicContact CG2-CG 4.37Å; Q383-L386 PolarHBondContact O-N 3.37Å; P384-L386 PolarHBondContact O-N 3.19Å |
| 387 | R | 94.5 | Very high | 95.4 | Very high | 200 Ų | 200 | 56.8 Ų | 56.8 | 76% | 0.755 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -92.1 | 114.3 | -177 | -63 | -177.3 | 177.6 | -179.3 | -0.7 | 110.6 | P384 L385 N389 | P384-R387 WeakPolarHBondContact O-CB 3.41Å; P384-R387 PolarHBondContact O-N 3.12Å; P384-R387 VanDerWaalsContact O-N 3.09Å; L385-R387 PolarHBondContact O-N 2.7Å; R387-N389 PolarHBondContact O-N 3.06Å |
| 388 | L | 95.6 | Very high | 95.4 | Very high | 45 Ų | 45 | 60.5 Ų | 60.5 | 24% | 0.236 | 30% | 0.297 | C | S | . | . | trans | -62.6 | 129.4 | 170 | -69.2 | 166.8 | 0 | 0 | 0 | 110.9 | E279 M282 V283 D392 | E279-L388 HydrophobicContact CB-CD1 3.6Å; E279-L388 HydrophobicContact CB-CD2 4.23Å; E279-L388 VanDerWaalsContact O-CD2 3.26Å; E279-L388 WeakPolarHBondContact O-CD2 3.49Å; M282-L388 HydrophobicContact CB-CD2 4.36Å; V283-L388 HydrophobicContact CG2-CD2 3.79Å; V283-L388 HydrophobicContact CG2-CG 4.12Å; L388-D392 HydrophobicContact CD2-CB 4Å | ||
| 389 | N | 95.6 | Very high | 95.5 | Very high | 18 Ų | 18 | 57.9 Ų | 57.9 | 10% | 0.096 | 29% | 0.285 | C | S | . | . | trans | -106.2 | 177.9 | 174.3 | 70.2 | 43 | 0 | 0 | 0 | 111.9 | R387 A391 D392 K393 D461 D465 | R387-N389 PolarHBondContact O-N 3.06Å; N389-A391 VanDerWaalsContact C-N 3.33Å; N389-A391 PolarHBondContact O-N 3.36Å; N389-A391 WeakPolarHBondContact OD1-CA 3.29Å; N389-A391 VanDerWaalsContact OD1-CB 3.31Å; N389-A391 WeakPolarHBondContact OD1-CB 3.24Å; N389-A391 PolarHBondContact OD1-N 2.94Å; N389-D392 VanDerWaalsContact CG-OD2 3.26Å; N389-D392 PolarHBondContact N-OD2 3.06Å; N389-D392 VanDerWaalsContact N-OD2 3.11Å; N389-D392 PolarHBondContact ND2-OD2 2.75Å; N389-D392 PolarHBondContact O-N 3.42Å; N389-D392 PolarHBondContact OD1-N 2.7Å; N389-D392 PolarHBondContact OD1-OD2 2.85Å; N389-K393 WeakPolarHBondContact O-CG 3.4Å; N389-K393 PolarHBondContact O-N 3.34Å; N389-D461 HydrophobicContact CB-CB 4.29Å; N389-D465 PolarHBondContact ND2-OD1 3.27Å; N389-D465 PolarHBondContact ND2-OD2 3.35Å | ||
| 390 | A | 94.9 | Very high | 95.6 | Very high | 72 Ų | 72 | 57.2 Ų | 57.2 | 60% | 0.595 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64 | -36.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D392 K393 E394 | A390-D392 VanDerWaalsContact C-N 3.34Å; A390-D392 PolarHBondContact O-N 3Å; A390-K393 PolarHBondContact O-N 2.93Å; A390-E394 WeakPolarHBondContact O-CB 3.14Å; A390-E394 PolarHBondContact O-N 3.45Å |
| 391 | A | 96 | Very high | 95.7 | Very high | 20 Ų | 20 | 56.5 Ų | 56.5 | 17% | 0.165 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.7 | -33.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N389 E394 K395 D461 | N389-A391 VanDerWaalsContact C-N 3.33Å; N389-A391 PolarHBondContact O-N 3.36Å; N389-A391 WeakPolarHBondContact OD1-CA 3.29Å; N389-A391 VanDerWaalsContact OD1-CB 3.31Å; N389-A391 WeakPolarHBondContact OD1-CB 3.24Å; N389-A391 PolarHBondContact OD1-N 2.94Å; A391-E394 PolarHBondContact O-N 3.23Å; A391-K395 VanDerWaalsContact O-CG 3.26Å; A391-K395 WeakPolarHBondContact O-CG 3.49Å; A391-K395 PolarHBondContact O-N 2.9Å; A391-K395 PolarHBondContact O-NZ 2.85Å; A391-D461 HydrophobicContact CB-CB 4.06Å |
| 392 | D | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.5 | -44.8 | 175.9 | -61.5 | -35.7 | 0 | 0 | 0 | 112.2 | M282 K286 L388 N389 A390 E394 K395 Y396 | M282-D392 HydrophobicContact CB-CB 3.83Å; M282-D392 HydrophobicContact CG-CB 4.13Å; K286-D392 WeakPolarHBondContact CE-OD1 3.31Å; K286-D392 IonicContact NZ-OD1 3.79Å; K286-D392 PolarHBondContact NZ-OD1 3.18Å; K286-D392 IonicContact NZ-OD2 2.68Å; K286-D392 PolarHBondContact NZ-OD2 3.47Å; L388-D392 HydrophobicContact CD2-CB 4Å; N389-D392 VanDerWaalsContact CG-OD2 3.26Å; N389-D392 PolarHBondContact N-OD2 3.06Å; N389-D392 VanDerWaalsContact N-OD2 3.11Å; N389-D392 PolarHBondContact ND2-OD2 2.75Å; N389-D392 PolarHBondContact O-N 3.42Å; N389-D392 PolarHBondContact OD1-N 2.7Å; N389-D392 PolarHBondContact OD1-OD2 2.85Å; A390-D392 VanDerWaalsContact C-N 3.34Å; A390-D392 PolarHBondContact O-N 3Å; D392-E394 VanDerWaalsContact C-N 3.27Å; D392-E394 PolarHBondContact O-N 3.23Å; D392-K395 WeakPolarHBondContact O-CB 3.32Å; D392-K395 PolarHBondContact O-N 3.22Å; D392-K395 IonicContact OD1-NZ 2.63Å; D392-K395 PolarHBondContact OD1-NZ 2.94Å; D392-Y396 PolarHBondContact O-N 3.46Å |
| 393 | K | 96.6 | Very high | 95.6 | Very high | 95 Ų | 95 | 57.7 Ų | 57.7 | 41% | 0.413 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 175.5 | -60.7 | -169.8 | 179 | -126.8 | 0 | 111.3 | E279 N389 A390 Y396 R397 | E279-K393 WeakPolarHBondContact OE1-CG 3.41Å; E279-K393 IonicContact OE1-NZ 2.92Å; E279-K393 WeakPolarHBondContact OE2-CE 3.33Å; E279-K393 IonicContact OE2-NZ 3.48Å; E279-K393 PolarHBondContact OE2-NZ 3.26Å; N389-K393 WeakPolarHBondContact O-CG 3.4Å; N389-K393 PolarHBondContact O-N 3.34Å; A390-K393 PolarHBondContact O-N 2.93Å; K393-Y396 PolarHBondContact O-N 3.36Å; K393-R397 WeakPolarHBondContact O-CB 3.31Å; K393-R397 PolarHBondContact O-N 3.33Å |
| 394 | E | 96.4 | Very high | 95.5 | Very high | 67 Ų | 67 | 59.2 Ų | 59.2 | 31% | 0.313 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 175.3 | 176.2 | 61.8 | -175.4 | 0 | 0 | 112.9 | A390 A391 D392 R397 K398 | A390-E394 WeakPolarHBondContact O-CB 3.14Å; A390-E394 PolarHBondContact O-N 3.45Å; A391-E394 PolarHBondContact O-N 3.23Å; D392-E394 VanDerWaalsContact C-N 3.27Å; D392-E394 PolarHBondContact O-N 3.23Å; E394-R397 IonicContact OE1-CZ 2.72Å; E394-R397 IonicContact OE1-NH2 2.74Å; E394-R397 PolarHBondContact OE1-NH2 3.06Å; E394-R397 IonicContact OE2-CZ 3.5Å; E394-R397 VanDerWaalsContact OE2-CZ 3.23Å; E394-R397 IonicContact OE2-NE 2.86Å; E394-R397 PolarHBondContact OE2-NE 3.35Å; E394-R397 IonicContact OE2-NH2 3.21Å; E394-R397 PolarHBondContact OE2-NH2 3.13Å; E394-K398 WeakPolarHBondContact O-CG 3.35Å; E394-K398 PolarHBondContact O-N 3.19Å; E394-K398 VanDerWaalsContact O-N 3.14Å; E394-K398 WeakPolarHBondContact OE1-CE 3.35Å; E394-K398 IonicContact OE1-NZ 2.77Å; E394-K398 PolarHBondContact OE1-NZ 2.86Å |
| 395 | K | 96.5 | Very high | 95.3 | Very high | 11 Ų | 11 | 62.3 Ų | 62.3 | 5% | 0.048 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.8 | -49.6 | 169.6 | -68.6 | 170.7 | -156.9 | 87.2 | 0 | 110.3 | M282 W285 A391 D392 R397 K398 L399 F427 L431 G459 | M282-K395 HydrophobicContact CE-CB 3.78Å; M282-K395 HydrophobicContact CG-CB 4.48Å; M282-K395 HydrophobicContact SD-CB 3.78Å; M282-K395 HydrophobicContact SD-CD 3.91Å; W285-K395 HydrophobicContact CH2-CD 4.48Å; W285-K395 HydrophobicContact CZ3-CD 4.09Å; A391-K395 VanDerWaalsContact O-CG 3.26Å; A391-K395 WeakPolarHBondContact O-CG 3.49Å; A391-K395 PolarHBondContact O-N 2.9Å; A391-K395 PolarHBondContact O-NZ 2.85Å; D392-K395 WeakPolarHBondContact O-CB 3.32Å; D392-K395 PolarHBondContact O-N 3.22Å; D392-K395 IonicContact OD1-NZ 2.63Å; D392-K395 PolarHBondContact OD1-NZ 2.94Å; K395-R397 PolarHBondContact O-N 2.86Å; K395-K398 PolarHBondContact O-N 3.08Å; K395-L399 PolarHBondContact O-N 2.79Å; K395-F427 HydrophobicContact CB-CZ 4.45Å; K395-F427 WeakPolarHBondContact O-CZ 3.29Å; K395-L431 HydrophobicContact CD-CD1 4.17Å; K395-L431 HydrophobicContact CG-CD1 4.42Å; K395-L431 HydrophobicContact CG-CD2 4.43Å; K395-G459 WeakPolarHBondContact CE-O 3.5Å; K395-G459 PolarHBondContact NZ-O 2.71Å; K395-G459 VanDerWaalsContact NZ-O 3.16Å |
| 396 | Y | 97.4 | Very high | 95.1 | Very high | 45 Ų | 45 | 63 Ų | 63 | 18% | 0.176 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.9 | -37 | -176.9 | -176.9 | -98.3 | 0 | 0 | 0 | 112.8 | I274 G278 E279 I281 M282 D392 K393 L399 S400 | I274-Y396 HydrophobicContact CG2-CE2 4.17Å; G278-Y396 WeakPolarHBondContact O-CD2 3.41Å; G278-Y396 VanDerWaalsContact O-CE2 3.25Å; G278-Y396 WeakPolarHBondContact O-CE2 3.4Å; E279-Y396 HydrophobicContact CG-CD1 3.92Å; E279-Y396 HydrophobicContact CG-CE1 4.48Å; E279-Y396 HydrophobicContact CG-CG 4.33Å; I281-Y396 HydrophobicContact CG2-CD2 3.79Å; I281-Y396 HydrophobicContact CG2-CE2 4.22Å; M282-Y396 HydrophobicContact CE-CD2 4.43Å; D392-Y396 PolarHBondContact O-N 3.46Å; K393-Y396 PolarHBondContact O-N 3.36Å; Y396-L399 PolarHBondContact O-N 2.8Å; Y396-S400 WeakPolarHBondContact CE1-OG 3.06Å; Y396-S400 WeakPolarHBondContact O-CB 3.48Å; Y396-S400 PolarHBondContact O-N 3.1Å; Y396-S400 PolarHBondContact O-OG 2.89Å |
| 397 | R | 97.4 | Very high | 94.7 | Very high | 103 Ų | 103 | 63 Ų | 63 | 39% | 0.389 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.8 | -49.6 | 171.9 | -173.2 | -173.5 | 67.6 | 78 | 6.5 | 111.2 | K393 E394 K395 L399 S400 E401 | K393-R397 WeakPolarHBondContact O-CB 3.31Å; K393-R397 PolarHBondContact O-N 3.33Å; E394-R397 IonicContact OE1-CZ 2.72Å; E394-R397 IonicContact OE1-NH2 2.74Å; E394-R397 PolarHBondContact OE1-NH2 3.06Å; E394-R397 IonicContact OE2-CZ 3.5Å; E394-R397 VanDerWaalsContact OE2-CZ 3.23Å; E394-R397 IonicContact OE2-NE 2.86Å; E394-R397 PolarHBondContact OE2-NE 3.35Å; E394-R397 IonicContact OE2-NH2 3.21Å; E394-R397 PolarHBondContact OE2-NH2 3.13Å; K395-R397 PolarHBondContact O-N 2.86Å; R397-L399 PolarHBondContact O-N 3.26Å; R397-S400 WeakPolarHBondContact O-CB 3.12Å; R397-S400 PolarHBondContact O-N 2.93Å; R397-E401 IonicContact CZ-OE1 2.73Å; R397-E401 IonicContact CZ-OE2 3.75Å; R397-E401 IonicContact NH1-OE1 2.87Å; R397-E401 PolarHBondContact NH1-OE1 2.69Å; R397-E401 IonicContact NH1-OE2 3.77Å; R397-E401 PolarHBondContact NH1-OE2 3.49Å; R397-E401 WeakPolarHBondContact O-CG 3.33Å; R397-E401 PolarHBondContact O-N 2.88Å |
| 398 | K | 96.8 | Very high | 94.4 | Very high | 94 Ų | 94 | 60.7 Ų | 60.7 | 41% | 0.409 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.8 | -43.3 | 177 | -76.2 | 171.3 | 177.9 | 146.1 | 0 | 112.6 | E394 K395 S400 E401 Q402 F427 | E394-K398 WeakPolarHBondContact O-CG 3.35Å; E394-K398 PolarHBondContact O-N 3.19Å; E394-K398 VanDerWaalsContact O-N 3.14Å; E394-K398 WeakPolarHBondContact OE1-CE 3.35Å; E394-K398 IonicContact OE1-NZ 2.77Å; E394-K398 PolarHBondContact OE1-NZ 2.86Å; K395-K398 PolarHBondContact O-N 3.08Å; K398-S400 VanDerWaalsContact C-N 3.32Å; K398-S400 PolarHBondContact O-N 2.94Å; K398-E401 PolarHBondContact O-N 3.14Å; K398-Q402 WeakPolarHBondContact O-CG 3.36Å; K398-Q402 PolarHBondContact O-N 3.2Å; K398-F427 HydrophobicContact CB-CE2 4.31Å |
| 399 | L | 96.3 | Very high | 94 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 176 | -174.7 | 58.7 | 0 | 0 | 0 | 111.7 | I274 M282 K395 Y396 R397 Q402 R403 F424 F427 F428 | I274-L399 HydrophobicContact CG2-CD2 4Å; M282-L399 HydrophobicContact CE-CD2 4.39Å; K395-L399 PolarHBondContact O-N 2.79Å; Y396-L399 PolarHBondContact O-N 2.8Å; R397-L399 PolarHBondContact O-N 3.26Å; L399-Q402 PolarHBondContact O-N 2.73Å; L399-R403 WeakPolarHBondContact O-CB 3.11Å; L399-R403 PolarHBondContact O-N 2.91Å; L399-F424 HydrophobicContact CD1-CD1 3.6Å; L399-F424 HydrophobicContact CD1-CE1 4.07Å; L399-F424 HydrophobicContact CD2-CD1 4.08Å; L399-F424 HydrophobicContact CD2-CE1 4.38Å; L399-F424 HydrophobicContact CG-CD1 4.01Å; L399-F424 HydrophobicContact CG-CE1 4.12Å; L399-F427 HydrophobicContact CB-CD1 4.24Å; L399-F427 HydrophobicContact CB-CE1 3.87Å; L399-F427 HydrophobicContact CB-CE2 4.18Å; L399-F427 HydrophobicContact CB-CZ 3.84Å; L399-F427 HydrophobicContact CD1-CB 3.73Å; L399-F427 HydrophobicContact CD1-CD1 3.49Å; L399-F427 VanDerWaalsContact CD1-CD1 3.49Å; L399-F427 HydrophobicContact CD1-CD2 3.93Å; L399-F427 HydrophobicContact CD1-CE1 4.02Å; L399-F427 HydrophobicContact CD1-CE2 4.41Å; L399-F427 HydrophobicContact CD1-CG 3.43Å; L399-F427 VanDerWaalsContact CD1-CG 3.43Å; L399-F427 HydrophobicContact CD1-CZ 4.46Å; L399-F427 HydrophobicContact CD2-CD1 4.1Å; L399-F427 HydrophobicContact CD2-CE1 4.12Å; L399-F427 HydrophobicContact CG-CD1 4.14Å; L399-F427 HydrophobicContact CG-CE1 4.22Å; L399-F427 HydrophobicContact CG-CG 4.46Å; L399-F428 HydrophobicContact CD2-CE2 3.91Å; L399-F428 HydrophobicContact CD2-CZ 4.17Å |
| 400 | S | 95.1 | Very high | 93.5 | Very high | 46 Ų | 46 | 63 Ų | 63 | 32% | 0.322 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 177.2 | -57.5 | 0 | 0 | 0 | 0 | 112.3 | Y396 R397 K398 R403 Q404 | Y396-S400 WeakPolarHBondContact CE1-OG 3.06Å; Y396-S400 WeakPolarHBondContact O-CB 3.48Å; Y396-S400 PolarHBondContact O-N 3.1Å; Y396-S400 PolarHBondContact O-OG 2.89Å; R397-S400 WeakPolarHBondContact O-CB 3.12Å; R397-S400 PolarHBondContact O-N 2.93Å; K398-S400 VanDerWaalsContact C-N 3.32Å; K398-S400 PolarHBondContact O-N 2.94Å; S400-R403 PolarHBondContact O-N 3.19Å; S400-Q404 WeakPolarHBondContact O-CB 3.47Å; S400-Q404 PolarHBondContact O-N 3.17Å |
| 401 | E | 95.4 | Very high | 92.9 | Very high | 87 Ų | 87 | 66.8 Ų | 66.8 | 41% | 0.407 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.5 | -43.6 | 176.5 | -75.5 | 169.7 | -179.7 | 0 | 0 | 112.1 | R397 K398 R403 Q404 M405 | R397-E401 IonicContact CZ-OE1 2.73Å; R397-E401 IonicContact CZ-OE2 3.75Å; R397-E401 IonicContact NH1-OE1 2.87Å; R397-E401 PolarHBondContact NH1-OE1 2.69Å; R397-E401 IonicContact NH1-OE2 3.77Å; R397-E401 PolarHBondContact NH1-OE2 3.49Å; R397-E401 WeakPolarHBondContact O-CG 3.33Å; R397-E401 PolarHBondContact O-N 2.88Å; K398-E401 PolarHBondContact O-N 3.14Å; E401-R403 VanDerWaalsContact C-N 3.32Å; E401-R403 PolarHBondContact O-N 2.81Å; E401-Q404 PolarHBondContact O-N 2.77Å; E401-M405 WeakPolarHBondContact O-CG 3.23Å; E401-M405 PolarHBondContact O-N 3.1Å |
| 402 | Q | 94 | Very high | 92.3 | Very high | 65 Ų | 65 | 70.6 Ų | 70.6 | 30% | 0.304 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 173.7 | -73.5 | -180 | -9.9 | 0 | 0 | 111.8 | K398 L399 M405 L406 L423 F427 | K398-Q402 WeakPolarHBondContact O-CG 3.36Å; K398-Q402 PolarHBondContact O-N 3.2Å; L399-Q402 PolarHBondContact O-N 2.73Å; Q402-M405 HydrophobicContact CB-CE 4.49Å; Q402-M405 HydrophobicContact CG-CE 4.14Å; Q402-M405 PolarHBondContact O-N 3.42Å; Q402-L406 PolarHBondContact O-N 3.37Å; Q402-L423 HydrophobicContact CB-CD1 4.15Å; Q402-L423 HydrophobicContact CB-CD2 4.24Å; Q402-F427 VanDerWaalsContact OE1-CD2 3.28Å |
| 403 | R | 93.1 | Very high | 91.5 | Very high | 61 Ų | 61 | 74.4 Ų | 74.4 | 23% | 0.23 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 173.7 | -174.4 | -167.6 | 178.8 | -101.6 | -20.6 | 111.6 | S271 L399 S400 E401 M405 L406 L407 E420 L423 F424 | S271-R403 PolarHBondContact OG-NE 3.07Å; S271-R403 PolarHBondContact OG-NH2 2.72Å; L399-R403 WeakPolarHBondContact O-CB 3.11Å; L399-R403 PolarHBondContact O-N 2.91Å; S400-R403 PolarHBondContact O-N 3.19Å; E401-R403 VanDerWaalsContact C-N 3.32Å; E401-R403 PolarHBondContact O-N 2.81Å; R403-M405 VanDerWaalsContact C-N 3.33Å; R403-M405 PolarHBondContact O-N 3.19Å; R403-L406 WeakPolarHBondContact O-CB 3.48Å; R403-L406 PolarHBondContact O-N 2.78Å; R403-L407 HydrophobicContact CG-CD1 4.45Å; R403-L407 WeakPolarHBondContact O-CG 3.41Å; R403-L407 PolarHBondContact O-N 3.36Å; R403-E420 IonicContact CZ-OE1 3.64Å; R403-E420 IonicContact NE-OE1 3.65Å; R403-E420 PolarHBondContact NE-OE1 3.17Å; R403-E420 IonicContact NH2-OE1 2.76Å; R403-E420 PolarHBondContact NH2-OE1 3.44Å; R403-E420 IonicContact NH2-OE2 2.77Å; R403-L423 HydrophobicContact CB-CD2 4.24Å; R403-F424 HydrophobicContact CG-CZ 4.26Å |
| 404 | Q | 91.8 | Very high | 90 | Very high | 113 Ų | 113 | 79.2 Ų | 79.2 | 53% | 0.528 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.8 | -37.4 | 179.2 | -170.6 | 60.5 | 50.4 | 0 | 0 | 112.3 | S400 E401 Y408 | S400-Q404 WeakPolarHBondContact O-CB 3.47Å; S400-Q404 PolarHBondContact O-N 3.17Å; E401-Q404 PolarHBondContact O-N 2.77Å; Q404-Y408 WeakPolarHBondContact O-CB 3.35Å; Q404-Y408 PolarHBondContact O-N 3.48Å |
| 405 | M | 91.1 | Very high | 88.6 | Confident | 123 Ų | 123 | 82.3 Ų | 82.3 | 61% | 0.606 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -66.1 | -39.4 | 173.2 | -70.3 | -173.2 | -64.7 | 0 | 0 | 112.3 | E401 Q402 R403 Y408 S409 | E401-M405 WeakPolarHBondContact O-CG 3.23Å; E401-M405 PolarHBondContact O-N 3.1Å; Q402-M405 HydrophobicContact CB-CE 4.49Å; Q402-M405 HydrophobicContact CG-CE 4.14Å; Q402-M405 PolarHBondContact O-N 3.42Å; R403-M405 VanDerWaalsContact C-N 3.33Å; R403-M405 PolarHBondContact O-N 3.19Å; M405-Y408 PolarHBondContact O-N 3.34Å; M405-S409 WeakPolarHBondContact O-CB 3.26Å; M405-S409 PolarHBondContact O-N 3.37Å |
| 406 | L | 89.8 | Confident | 87.1 | Confident | 19 Ų | 19 | 83.8 Ų | 83.8 | 10% | 0.099 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.3 | -51.8 | 174.9 | 173.9 | 63.8 | 0 | 0 | 0 | 111 | Q402 R403 Y408 S409 Q410 A418 E420 L423 | Q402-L406 PolarHBondContact O-N 3.37Å; R403-L406 WeakPolarHBondContact O-CB 3.48Å; R403-L406 PolarHBondContact O-N 2.78Å; L406-Y408 VanDerWaalsContact C-N 3.35Å; L406-Y408 PolarHBondContact O-N 3.12Å; L406-S409 PolarHBondContact O-N 3.1Å; L406-S409 PolarHBondContact O-OG 3.05Å; L406-Q410 HydrophobicContact CD1-CG 4.48Å; L406-Q410 WeakPolarHBondContact O-CG 3.19Å; L406-Q410 PolarHBondContact O-N 2.84Å; L406-A418 HydrophobicContact CD1-CB 3.49Å; L406-A418 VanDerWaalsContact CD1-CB 3.49Å; L406-E420 HydrophobicContact CD2-CB 4.48Å; L406-E420 HydrophobicContact CD2-CG 4.12Å; L406-L423 HydrophobicContact CB-CD2 4.15Å; L406-L423 HydrophobicContact CD2-CB 4.07Å; L406-L423 HydrophobicContact CD2-CD2 3.78Å |
| 407 | L | 87.9 | Confident | 85.6 | Confident | 39 Ų | 39 | 88.2 Ų | 88.2 | 20% | 0.204 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -58.3 | -46.1 | 178.5 | -66.5 | 172.2 | 0 | 0 | 0 | 111.6 | R403 S409 Q410 E411 | R403-L407 HydrophobicContact CG-CD1 4.45Å; R403-L407 WeakPolarHBondContact O-CG 3.41Å; R403-L407 PolarHBondContact O-N 3.36Å; L407-S409 VanDerWaalsContact C-N 3.28Å; L407-S409 PolarHBondContact O-N 3.11Å; L407-Q410 PolarHBondContact O-N 3.45Å; L407-Q410 VanDerWaalsContact O-N 3.15Å; L407-E411 WeakPolarHBondContact O-CG 3.43Å; L407-E411 PolarHBondContact O-N 2.63Å |
| 408 | Y | 87.9 | Confident | 84.3 | Confident | 150 Ų | 150 | 85.5 Ų | 85.5 | 59% | 0.588 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -60.2 | -36.8 | 175.5 | -178.8 | -103 | 0 | 0 | 0 | 112.7 | Q404 M405 L406 E411 V412 | Q404-Y408 WeakPolarHBondContact O-CB 3.35Å; Q404-Y408 PolarHBondContact O-N 3.48Å; M405-Y408 PolarHBondContact O-N 3.34Å; L406-Y408 VanDerWaalsContact C-N 3.35Å; L406-Y408 PolarHBondContact O-N 3.12Å; Y408-E411 PolarHBondContact O-N 3.5Å; Y408-V412 HydrophobicContact CD1-CG2 4.46Å; Y408-V412 HydrophobicContact CD2-CG2 4.39Å; Y408-V412 HydrophobicContact CE1-CG2 4.04Å; Y408-V412 HydrophobicContact CE2-CG2 3.97Å; Y408-V412 VanDerWaalsContact O-CG2 3.3Å; Y408-V412 WeakPolarHBondContact O-CG2 3.48Å; Y408-V412 PolarHBondContact O-N 3.22Å |
| 409 | S | 86.4 | Confident | 83.6 | Confident | 45 Ų | 45 | 83.2 Ų | 83.2 | 32% | 0.315 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -68.4 | -34.5 | 176.1 | 75 | 0 | 0 | 0 | 0 | 113.1 | M405 L406 L407 V412 D413 | M405-S409 WeakPolarHBondContact O-CB 3.26Å; M405-S409 PolarHBondContact O-N 3.37Å; L406-S409 PolarHBondContact O-N 3.1Å; L406-S409 PolarHBondContact O-OG 3.05Å; L407-S409 VanDerWaalsContact C-N 3.28Å; L407-S409 PolarHBondContact O-N 3.11Å; S409-V412 PolarHBondContact O-N 3.28Å; S409-D413 PolarHBondContact O-N 2.88Å |
| 410 | Q | 85.1 | Confident | 83.1 | Confident | 67 Ų | 67 | 85 Ų | 85 | 31% | 0.313 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -70.6 | -34.2 | 174.4 | -67.6 | 168.8 | -13.8 | 0 | 0 | 112.2 | L406 L407 V412 C416 A418 | L406-Q410 HydrophobicContact CD1-CG 4.48Å; L406-Q410 WeakPolarHBondContact O-CG 3.19Å; L406-Q410 PolarHBondContact O-N 2.84Å; L407-Q410 PolarHBondContact O-N 3.45Å; L407-Q410 VanDerWaalsContact O-N 3.15Å; Q410-V412 VanDerWaalsContact C-N 3.32Å; Q410-C416 HydrophobicContact CG-CB 4.23Å; Q410-A418 PolarHBondContact NE2-O 3.12Å |
| 411 | E | 82.8 | Confident | 82.6 | Confident | 152 Ų | 152 | 84 Ų | 84 | 71% | 0.71 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -69.7 | -27.2 | 174.6 | -72.2 | 176.8 | 176.6 | 0 | 0 | 113 | L407 Y408 | L407-E411 WeakPolarHBondContact O-CG 3.43Å; L407-E411 PolarHBondContact O-N 2.63Å; Y408-E411 PolarHBondContact O-N 3.5Å |
| 412 | V | 84 | Confident | 82 | Confident | 99 Ų | 99 | 82.8 Ų | 82.8 | 60% | 0.6 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -98.4 | -30.5 | -174.9 | 174.4 | 0 | 0 | 0 | 0 | 113.3 | Y408 S409 Q410 | Y408-V412 HydrophobicContact CD1-CG2 4.46Å; Y408-V412 HydrophobicContact CD2-CG2 4.39Å; Y408-V412 HydrophobicContact CE1-CG2 4.04Å; Y408-V412 HydrophobicContact CE2-CG2 3.97Å; Y408-V412 VanDerWaalsContact O-CG2 3.3Å; Y408-V412 WeakPolarHBondContact O-CG2 3.48Å; Y408-V412 PolarHBondContact O-N 3.22Å; S409-V412 PolarHBondContact O-N 3.28Å; Q410-V412 VanDerWaalsContact C-N 3.32Å |
| 413 | D | 79.1 | Confident | 81.8 | Confident | 80 Ų | 80 | 81.4 Ų | 81.4 | 43% | 0.428 | 42% | 0.42 | S | S | . | . | trans | -120.2 | 104.4 | 175.9 | -177.4 | 8.2 | 0 | 0 | 0 | 111.1 | S409 N415 C416 | S409-D413 PolarHBondContact O-N 2.88Å; D413-N415 PolarHBondContact O-N 3.43Å; D413-N415 WeakPolarHBondContact OD1-CB 3.46Å; D413-N415 PolarHBondContact OD1-N 2.92Å; D413-N415 PolarHBondContact OD1-ND2 3.05Å; D413-N415 VanDerWaalsContact OD1-ND2 3.09Å; D413-C416 HydrophobicContact CB-CB 4.47Å; D413-C416 VanDerWaalsContact O-CB 3.29Å; D413-C416 WeakPolarHBondContact O-CB 3.07Å; D413-C416 PolarHBondContact O-N 3.2Å | ||
| 414 | E | 64.7 | Low | 81.7 | Confident | 196 Ų | 196 | 78.6 Ų | 78.6 | 92% | 0.916 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -11.6 | 177 | -64 | -176.2 | 152 | 0 | 0 | 113.8 | ||
| 415 | N | 67.1 | Low | 81.6 | Confident | 132 Ų | 132 | 74.6 Ų | 74.6 | 71% | 0.706 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 2.9 | 176.3 | -51.8 | -84 | 0 | 0 | 0 | 113.7 | D413 T417 | D413-N415 PolarHBondContact O-N 3.43Å; D413-N415 WeakPolarHBondContact OD1-CB 3.46Å; D413-N415 PolarHBondContact OD1-N 2.92Å; D413-N415 PolarHBondContact OD1-ND2 3.05Å; D413-N415 VanDerWaalsContact OD1-ND2 3.09Å; N415-T417 PolarHBondContact O-N 3.25Å; N415-T417 VanDerWaalsContact O-N 3.16Å |
| 416 | C | 65.8 | Low | 81.5 | Confident | 43 Ų | 43 | 73.5 Ų | 73.5 | 29% | 0.291 | 39% | 0.388 | S | S | . | . | trans | -69.2 | 110.8 | -179.1 | -168.6 | 0 | 0 | 0 | 0 | 111.5 | Q410 D413 | Q410-C416 HydrophobicContact CG-CB 4.23Å; D413-C416 HydrophobicContact CB-CB 4.47Å; D413-C416 VanDerWaalsContact O-CB 3.29Å; D413-C416 WeakPolarHBondContact O-CB 3.07Å; D413-C416 PolarHBondContact O-N 3.2Å | ||
| 417 | T | 67.1 | Low | 81.7 | Confident | 138 Ų | 138 | 73.2 Ų | 73.2 | 85% | 0.847 | 39% | 0.386 | S | S | * | . | trans | -94.8 | 5.4 | 179.6 | 52.8 | 0 | 0 | 0 | 0 | 114.3 | N415 N419 | N415-T417 PolarHBondContact O-N 3.25Å; N415-T417 VanDerWaalsContact O-N 3.16Å; T417-N419 PolarHBondContact O-N 3.45Å | ||
| 418 | A | 69.8 | Low | 82 | Confident | 46 Ų | 46 | 71.4 Ų | 71.4 | 38% | 0.38 | 38% | 0.376 | S | S | . | . | trans | -69.7 | 130.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L406 Q410 | L406-A418 HydrophobicContact CD1-CB 3.49Å; L406-A418 VanDerWaalsContact CD1-CB 3.49Å; Q410-A418 PolarHBondContact NE2-O 3.12Å | ||
| 419 | N | 81.4 | Confident | 82.1 | Confident | 46 Ų | 46 | 66.4 Ų | 66.4 | 25% | 0.246 | 36% | 0.359 | C | S | . | . | trans | -95.4 | 143.9 | -177.6 | -174.7 | 5.7 | 0 | 0 | 0 | 111.4 | T417 E421 D422 L423 | T417-N419 PolarHBondContact O-N 3.45Å; N419-E421 VanDerWaalsContact C-N 3.28Å; N419-E421 PolarHBondContact ND2-OE2 3.42Å; N419-E421 PolarHBondContact O-N 3.02Å; N419-E421 PolarHBondContact OD1-N 2.68Å; N419-D422 HydrophobicContact CB-CB 4.3Å; N419-D422 WeakPolarHBondContact CB-OD2 3.37Å; N419-D422 PolarHBondContact O-N 2.96Å; N419-L423 PolarHBondContact O-N 3.33Å | ||
| 420 | E | 85.1 | Confident | 82.4 | Confident | 37 Ų | 37 | 70 Ų | 70 | 17% | 0.173 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.3 | -37.6 | 171.7 | -65.5 | -165.5 | 109.5 | 0 | 0 | 111.6 | S271 R403 L406 D422 L423 F424 | S271-E420 WeakPolarHBondContact CB-OE2 3.42Å; S271-E420 PolarHBondContact OG-OE1 2.99Å; S271-E420 VanDerWaalsContact OG-OE1 3.06Å; S271-E420 PolarHBondContact OG-OE2 3.09Å; R403-E420 IonicContact CZ-OE1 3.64Å; R403-E420 IonicContact NE-OE1 3.65Å; R403-E420 PolarHBondContact NE-OE1 3.17Å; R403-E420 IonicContact NH2-OE1 2.76Å; R403-E420 PolarHBondContact NH2-OE1 3.44Å; R403-E420 IonicContact NH2-OE2 2.77Å; L406-E420 HydrophobicContact CD2-CB 4.48Å; L406-E420 HydrophobicContact CD2-CG 4.12Å; E420-D422 PolarHBondContact O-N 3.49Å; E420-L423 WeakPolarHBondContact O-CB 3.22Å; E420-L423 PolarHBondContact O-N 2.99Å; E420-F424 HydrophobicContact CB-CD2 4.44Å; E420-F424 HydrophobicContact CB-CE2 3.86Å; E420-F424 WeakPolarHBondContact O-CD2 3.17Å; E420-F424 WeakPolarHBondContact O-CE2 3.13Å; E420-F424 WeakPolarHBondContact O-CG 3.46Å; E420-F424 PolarHBondContact O-N 3Å |
| 421 | E | 84.4 | Confident | 82.8 | Confident | 26 Ų | 26 | 67.9 Ų | 67.9 | 12% | 0.121 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.4 | -45 | -179.9 | -55 | 175.4 | 123.8 | 0 | 0 | 111.5 | M270 Y307 N419 L423 F424 I425 | M270-E421 HydrophobicContact CB-CB 4.45Å; M270-E421 HydrophobicContact CB-CG 4.01Å; Y307-E421 PolarHBondContact OH-OE1 3.2Å; N419-E421 VanDerWaalsContact C-N 3.28Å; N419-E421 PolarHBondContact ND2-OE2 3.42Å; N419-E421 PolarHBondContact O-N 3.02Å; N419-E421 PolarHBondContact OD1-N 2.68Å; E421-L423 VanDerWaalsContact C-N 3.33Å; E421-L423 PolarHBondContact O-N 3.07Å; E421-F424 PolarHBondContact O-N 3.37Å; E421-I425 VanDerWaalsContact O-CG1 3.27Å; E421-I425 WeakPolarHBondContact O-CG1 3.28Å; E421-I425 PolarHBondContact O-N 2.79Å |
| 422 | D | 84.3 | Confident | 83.3 | Confident | 62 Ų | 62 | 60.7 Ų | 60.7 | 33% | 0.332 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62 | -41.4 | 176.8 | -68.1 | -38 | 0 | 0 | 0 | 111 | N419 E420 F424 I425 L426 | N419-D422 HydrophobicContact CB-CB 4.3Å; N419-D422 WeakPolarHBondContact CB-OD2 3.37Å; N419-D422 PolarHBondContact O-N 2.96Å; E420-D422 PolarHBondContact O-N 3.49Å; D422-F424 PolarHBondContact O-N 3.12Å; D422-I425 PolarHBondContact O-N 3.18Å; D422-L426 VanDerWaalsContact O-CB 3.28Å; D422-L426 WeakPolarHBondContact O-CB 3.27Å; D422-L426 WeakPolarHBondContact O-CG 3.46Å; D422-L426 PolarHBondContact O-N 3.01Å |
| 423 | L | 89.8 | Confident | 83.7 | Confident | 35 Ų | 35 | 57.2 Ų | 57.2 | 18% | 0.183 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58 | -48.9 | 175.1 | 175 | 67.3 | 0 | 0 | 0 | 111.7 | Q402 R403 L406 N419 E420 E421 L426 F427 | Q402-L423 HydrophobicContact CB-CD1 4.15Å; Q402-L423 HydrophobicContact CB-CD2 4.24Å; R403-L423 HydrophobicContact CB-CD2 4.24Å; L406-L423 HydrophobicContact CB-CD2 4.15Å; L406-L423 HydrophobicContact CD2-CB 4.07Å; L406-L423 HydrophobicContact CD2-CD2 3.78Å; N419-L423 PolarHBondContact O-N 3.33Å; E420-L423 WeakPolarHBondContact O-CB 3.22Å; E420-L423 PolarHBondContact O-N 2.99Å; E421-L423 VanDerWaalsContact C-N 3.33Å; E421-L423 PolarHBondContact O-N 3.07Å; L423-L426 PolarHBondContact O-N 3.35Å; L423-F427 WeakPolarHBondContact O-CB 3.49Å; L423-F427 PolarHBondContact O-N 2.81Å |
| 424 | F | 91.3 | Very high | 84.4 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.009 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 179.8 | -61.9 | -56.9 | 0 | 0 | 0 | 111.9 | M270 S271 I274 L399 R403 E420 E421 D422 L426 F427 F428 | M270-F424 HydrophobicContact CB-CD2 4.28Å; M270-F424 HydrophobicContact CE-CB 3.69Å; M270-F424 HydrophobicContact CG-CB 4.31Å; M270-F424 HydrophobicContact CG-CD2 4Å; M270-F424 HydrophobicContact CG-CG 4.48Å; M270-F424 HydrophobicContact SD-CB 3.82Å; M270-F424 HydrophobicContact SD-CD2 4.39Å; S271-F424 VanDerWaalsContact CA-CE2 3.47Å; I274-F424 HydrophobicContact CB-CE1 4.31Å; I274-F424 HydrophobicContact CB-CZ 4.45Å; I274-F424 HydrophobicContact CG1-CD1 3.89Å; I274-F424 HydrophobicContact CG1-CD2 4.18Å; I274-F424 HydrophobicContact CG1-CE1 4.07Å; I274-F424 HydrophobicContact CG1-CE2 4.36Å; I274-F424 HydrophobicContact CG1-CG 3.97Å; I274-F424 HydrophobicContact CG1-CZ 4.31Å; I274-F424 HydrophobicContact CG2-CD1 4.48Å; I274-F424 HydrophobicContact CG2-CE1 4.13Å; L399-F424 HydrophobicContact CD1-CD1 3.6Å; L399-F424 HydrophobicContact CD1-CE1 4.07Å; L399-F424 HydrophobicContact CD2-CD1 4.08Å; L399-F424 HydrophobicContact CD2-CE1 4.38Å; L399-F424 HydrophobicContact CG-CD1 4.01Å; L399-F424 HydrophobicContact CG-CE1 4.12Å; R403-F424 HydrophobicContact CG-CZ 4.26Å; E420-F424 HydrophobicContact CB-CD2 4.44Å; E420-F424 HydrophobicContact CB-CE2 3.86Å; E420-F424 WeakPolarHBondContact O-CD2 3.17Å; E420-F424 WeakPolarHBondContact O-CE2 3.13Å; E420-F424 WeakPolarHBondContact O-CG 3.46Å; E420-F424 PolarHBondContact O-N 3Å; E421-F424 PolarHBondContact O-N 3.37Å; D422-F424 PolarHBondContact O-N 3.12Å; F424-L426 PolarHBondContact O-N 3.03Å; F424-F427 PolarHBondContact O-N 2.91Å; F424-F428 WeakPolarHBondContact O-CD2 3.3Å; F424-F428 PolarHBondContact O-N 2.89Å; F424-F428 VanDerWaalsContact O-N 3.12Å |
| 425 | I | 88.3 | Confident | 85.9 | Confident | 30 Ų | 30 | 49.9 Ų | 49.9 | 15% | 0.154 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 178.9 | -66.8 | 167.1 | 0 | 0 | 0 | 110.5 | M270 C314 E421 D422 M429 | M270-I425 HydrophobicContact CE-CG1 4.11Å; M270-I425 HydrophobicContact SD-CD1 4.44Å; M270-I425 HydrophobicContact SD-CG1 3.91Å; C314-I425 HydrophobicContact CB-CG1 4.25Å; E421-I425 VanDerWaalsContact O-CG1 3.27Å; E421-I425 WeakPolarHBondContact O-CG1 3.28Å; E421-I425 PolarHBondContact O-N 2.79Å; D422-I425 PolarHBondContact O-N 3.18Å; I425-M429 VanDerWaalsContact O-CB 3.23Å; I425-M429 WeakPolarHBondContact O-CB 3.49Å; I425-M429 PolarHBondContact O-N 3.28Å |
| 426 | L | 88.9 | Confident | 87.2 | Confident | 100 Ų | 100 | 43.7 Ų | 43.7 | 52% | 0.524 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.3 | -41.6 | 178.1 | -70.9 | 172.7 | 0 | 0 | 0 | 112 | D422 L423 F424 M429 E430 | D422-L426 VanDerWaalsContact O-CB 3.28Å; D422-L426 WeakPolarHBondContact O-CB 3.27Å; D422-L426 WeakPolarHBondContact O-CG 3.46Å; D422-L426 PolarHBondContact O-N 3.01Å; L423-L426 PolarHBondContact O-N 3.35Å; F424-L426 PolarHBondContact O-N 3.03Å; L426-M429 HydrophobicContact CD2-CE 3.71Å; L426-M429 PolarHBondContact O-N 2.83Å; L426-E430 WeakPolarHBondContact O-CB 3.49Å; L426-E430 PolarHBondContact O-N 2.88Å |
| 427 | F | 94 | Very high | 88.4 | Confident | 13 Ų | 13 | 46.4 Ų | 46.4 | 6% | 0.057 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.5 | -50.8 | 178.2 | 177.5 | -94.5 | 0 | 0 | 0 | 112.5 | M282 K395 K398 L399 Q402 L423 F424 M429 E430 L431 | M282-F427 HydrophobicContact CE-CE1 4.17Å; K395-F427 HydrophobicContact CB-CZ 4.45Å; K395-F427 WeakPolarHBondContact O-CZ 3.29Å; K398-F427 HydrophobicContact CB-CE2 4.31Å; L399-F427 HydrophobicContact CB-CD1 4.24Å; L399-F427 HydrophobicContact CB-CE1 3.87Å; L399-F427 HydrophobicContact CB-CE2 4.18Å; L399-F427 HydrophobicContact CB-CZ 3.84Å; L399-F427 HydrophobicContact CD1-CB 3.73Å; L399-F427 HydrophobicContact CD1-CD1 3.49Å; L399-F427 VanDerWaalsContact CD1-CD1 3.49Å; L399-F427 HydrophobicContact CD1-CD2 3.93Å; L399-F427 HydrophobicContact CD1-CE1 4.02Å; L399-F427 HydrophobicContact CD1-CE2 4.41Å; L399-F427 HydrophobicContact CD1-CG 3.43Å; L399-F427 VanDerWaalsContact CD1-CG 3.43Å; L399-F427 HydrophobicContact CD1-CZ 4.46Å; L399-F427 HydrophobicContact CD2-CD1 4.1Å; L399-F427 HydrophobicContact CD2-CE1 4.12Å; L399-F427 HydrophobicContact CG-CD1 4.14Å; L399-F427 HydrophobicContact CG-CE1 4.22Å; L399-F427 HydrophobicContact CG-CG 4.46Å; Q402-F427 VanDerWaalsContact OE1-CD2 3.28Å; L423-F427 WeakPolarHBondContact O-CB 3.49Å; L423-F427 PolarHBondContact O-N 2.81Å; F424-F427 PolarHBondContact O-N 2.91Å; F427-M429 VanDerWaalsContact C-N 3.34Å; F427-M429 PolarHBondContact O-N 2.86Å; F427-E430 PolarHBondContact O-N 2.94Å; F427-L431 HydrophobicContact CD1-CD1 3.99Å; F427-L431 HydrophobicContact CE1-CD1 3.42Å; F427-L431 VanDerWaalsContact CE1-CD1 3.42Å; F427-L431 HydrophobicContact CE1-CG 4.21Å; F427-L431 HydrophobicContact CZ-CD1 3.91Å; F427-L431 HydrophobicContact CZ-CG 4.4Å; F427-L431 WeakPolarHBondContact O-CG 3.38Å; F427-L431 PolarHBondContact O-N 2.68Å |
| 428 | F | 94.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.7 | -35.2 | 178 | -77.4 | -76.5 | 0 | 0 | 0 | 111.9 | I274 I281 M282 W285 L315 L399 F424 L431 N432 | I274-F428 HydrophobicContact CD1-CE2 3.96Å; I281-F428 HydrophobicContact CG1-CZ 4.06Å; I281-F428 HydrophobicContact CG2-CZ 4.32Å; M282-F428 HydrophobicContact CE-CE1 4.13Å; M282-F428 HydrophobicContact CE-CZ 3.94Å; M282-F428 HydrophobicContact SD-CE1 4.06Å; M282-F428 HydrophobicContact SD-CZ 4.4Å; W285-F428 HydrophobicContact CB-CD1 4.25Å; W285-F428 HydrophobicContact CB-CE1 3.83Å; W285-F428 AromaticContact CD1-CD1 3.52Å; W285-F428 AromaticContact CD1-CE1 3.98Å; W285-F428 HydrophobicContact CD2-CD1 4.38Å; W285-F428 HydrophobicContact CD2-CE1 4.35Å; W285-F428 AromaticContact CG-CD1 3.78Å; W285-F428 HydrophobicContact CG-CD1 3.78Å; W285-F428 AromaticContact CG-CE1 3.76Å; W285-F428 HydrophobicContact CG-CE1 3.76Å; W285-F428 AromaticContact NE1-CD1 3.95Å; L315-F428 HydrophobicContact CB-CD1 4.5Å; L315-F428 HydrophobicContact CB-CG 4.48Å; L315-F428 HydrophobicContact CD2-CD1 4.29Å; L315-F428 HydrophobicContact CD2-CD2 3.52Å; L315-F428 HydrophobicContact CD2-CE1 4.33Å; L315-F428 HydrophobicContact CD2-CE2 3.59Å; L315-F428 HydrophobicContact CD2-CG 3.9Å; L315-F428 HydrophobicContact CD2-CZ 4Å; L399-F428 HydrophobicContact CD2-CE2 3.91Å; L399-F428 HydrophobicContact CD2-CZ 4.17Å; F424-F428 WeakPolarHBondContact O-CD2 3.3Å; F424-F428 PolarHBondContact O-N 2.89Å; F424-F428 VanDerWaalsContact O-N 3.12Å; F428-L431 HydrophobicContact CD1-CD1 4.27Å; F428-L431 PolarHBondContact O-N 2.65Å; F428-N432 WeakPolarHBondContact O-CB 3.31Å; F428-N432 PolarHBondContact O-N 2.88Å; F428-N432 PolarHBondContact O-ND2 2.86Å |
| 429 | M | 90 | Very high | 90.9 | Very high | 46 Ų | 46 | 38.6 Ų | 38.6 | 23% | 0.227 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.3 | -39.3 | 174 | -172.9 | -178.3 | 71.3 | 0 | 0 | 112.5 | N317 I425 L426 F427 N432 N433 | N317-M429 WeakPolarHBondContact O-CA 3.42Å; I425-M429 VanDerWaalsContact O-CB 3.23Å; I425-M429 WeakPolarHBondContact O-CB 3.49Å; I425-M429 PolarHBondContact O-N 3.28Å; L426-M429 HydrophobicContact CD2-CE 3.71Å; L426-M429 PolarHBondContact O-N 2.83Å; F427-M429 VanDerWaalsContact C-N 3.34Å; F427-M429 PolarHBondContact O-N 2.86Å; M429-N432 PolarHBondContact O-N 3.01Å; M429-N433 VanDerWaalsContact O-CB 3.23Å; M429-N433 WeakPolarHBondContact O-CB 3.06Å; M429-N433 PolarHBondContact O-N 2.92Å; M429-N433 PolarHBondContact O-ND2 3.12Å |
| 430 | E | 92.8 | Very high | 91.3 | Very high | 120 Ų | 120 | 39.3 Ų | 39.3 | 56% | 0.561 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -64.5 | -44 | 174.5 | -170.9 | 179.8 | 176.2 | 0 | 0 | 111.3 | L426 F427 N433 R434 | L426-E430 WeakPolarHBondContact O-CB 3.49Å; L426-E430 PolarHBondContact O-N 2.88Å; F427-E430 PolarHBondContact O-N 2.94Å; E430-N433 PolarHBondContact O-N 2.91Å; E430-R434 WeakPolarHBondContact O-CB 3.42Å; E430-R434 PolarHBondContact O-N 3.27Å |
| 431 | L | 94.4 | Very high | 91.6 | Very high | 23 Ų | 23 | 42.9 Ų | 42.9 | 12% | 0.12 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.2 | -48.8 | 173.8 | -70.5 | 178.9 | 0 | 0 | 0 | 112 | W285 K395 F427 F428 R434 I435 | W285-L431 HydrophobicContact CZ2-CB 4.3Å; K395-L431 HydrophobicContact CD-CD1 4.17Å; K395-L431 HydrophobicContact CG-CD1 4.42Å; K395-L431 HydrophobicContact CG-CD2 4.43Å; F427-L431 HydrophobicContact CD1-CD1 3.99Å; F427-L431 HydrophobicContact CE1-CD1 3.42Å; F427-L431 VanDerWaalsContact CE1-CD1 3.42Å; F427-L431 HydrophobicContact CE1-CG 4.21Å; F427-L431 HydrophobicContact CZ-CD1 3.91Å; F427-L431 HydrophobicContact CZ-CG 4.4Å; F427-L431 WeakPolarHBondContact O-CG 3.38Å; F427-L431 PolarHBondContact O-N 2.68Å; F428-L431 HydrophobicContact CD1-CD1 4.27Å; F428-L431 PolarHBondContact O-N 2.65Å; L431-R434 PolarHBondContact O-N 2.79Å; L431-I435 WeakPolarHBondContact O-CG1 3.4Å; L431-I435 PolarHBondContact O-N 2.95Å |
| 432 | N | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64 | -46.7 | -179.3 | -66.5 | -21.9 | 0 | 0 | 0 | 111.6 | W285 L289 L315 N317 A318 F428 M429 R434 I435 F436 | W285-N432 PolarHBondContact NE1-OD1 3.02Å; L289-N432 HydrophobicContact CD1-CB 4.33Å; L289-N432 WeakPolarHBondContact CD1-OD1 3.42Å; L315-N432 PolarHBondContact O-ND2 3.01Å; N317-N432 WeakPolarHBondContact O-CB 3.13Å; N317-N432 PolarHBondContact O-ND2 3.44Å; A318-N432 HydrophobicContact CB-CB 4.1Å; F428-N432 WeakPolarHBondContact O-CB 3.31Å; F428-N432 PolarHBondContact O-N 2.88Å; F428-N432 PolarHBondContact O-ND2 2.86Å; M429-N432 PolarHBondContact O-N 3.01Å; N432-R434 VanDerWaalsContact C-N 3.31Å; N432-R434 PolarHBondContact O-N 3.09Å; N432-I435 PolarHBondContact O-N 3.18Å; N432-F436 HydrophobicContact CB-CE2 4.4Å; N432-F436 WeakPolarHBondContact O-CD2 3.37Å; N432-F436 PolarHBondContact O-N 3.22Å |
| 433 | N | 91.6 | Very high | 92.4 | Very high | 27 Ų | 27 | 41.2 Ų | 41.2 | 14% | 0.144 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.8 | -44.5 | 176 | -75.8 | -14.3 | 0 | 0 | 0 | 111.3 | A318 S319 I320 M429 E430 I435 F436 Q437 | A318-N433 WeakPolarHBondContact CA-OD1 3.36Å; S319-N433 PolarHBondContact N-OD1 2.8Å; S319-N433 PolarHBondContact OG-ND2 3.08Å; I320-N433 HydrophobicContact CD1-CB 4.45Å; I320-N433 WeakPolarHBondContact CD1-O 3.44Å; I320-N433 HydrophobicContact CG1-CB 4.43Å; M429-N433 VanDerWaalsContact O-CB 3.23Å; M429-N433 WeakPolarHBondContact O-CB 3.06Å; M429-N433 PolarHBondContact O-N 2.92Å; M429-N433 PolarHBondContact O-ND2 3.12Å; E430-N433 PolarHBondContact O-N 2.91Å; N433-I435 VanDerWaalsContact C-N 3.34Å; N433-I435 PolarHBondContact O-N 2.82Å; N433-F436 PolarHBondContact O-N 2.82Å; N433-Q437 WeakPolarHBondContact O-CB 3Å; N433-Q437 PolarHBondContact O-N 2.9Å |
| 434 | R | 94.8 | Very high | 92.4 | Very high | 121 Ų | 121 | 42.8 Ų | 42.8 | 46% | 0.457 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62 | -40.5 | 179.9 | -176.5 | 172.4 | 174.6 | 164.9 | -1.9 | 112.4 | E430 L431 N432 T438 A457 | E430-R434 WeakPolarHBondContact O-CB 3.42Å; E430-R434 PolarHBondContact O-N 3.27Å; L431-R434 PolarHBondContact O-N 2.79Å; N432-R434 VanDerWaalsContact C-N 3.31Å; N432-R434 PolarHBondContact O-N 3.09Å; R434-T438 PolarHBondContact O-N 2.85Å; R434-T438 PolarHBondContact O-OG1 2.87Å; R434-A457 PolarHBondContact NE-O 2.99Å; R434-A457 PolarHBondContact NH2-O 3.29Å |
| 435 | I | 95.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.1 | -62.8 | 171.8 | -68 | 161.2 | 0 | 0 | 0 | 109.8 | W285 L289 L431 N432 N433 Q437 T438 L439 M458 L460 L472 | W285-I435 HydrophobicContact CH2-CD1 3.72Å; W285-I435 HydrophobicContact CZ2-CD1 3.6Å; L289-I435 HydrophobicContact CD2-CD1 4.35Å; L431-I435 WeakPolarHBondContact O-CG1 3.4Å; L431-I435 PolarHBondContact O-N 2.95Å; N432-I435 PolarHBondContact O-N 3.18Å; N433-I435 VanDerWaalsContact C-N 3.34Å; N433-I435 PolarHBondContact O-N 2.82Å; I435-Q437 VanDerWaalsContact C-N 3.29Å; I435-Q437 PolarHBondContact O-N 2.76Å; I435-T438 PolarHBondContact O-N 2.73Å; I435-L439 HydrophobicContact CG2-CD1 3.79Å; I435-L439 HydrophobicContact CG2-CG 4.31Å; I435-L439 WeakPolarHBondContact O-CG 3.42Å; I435-L439 PolarHBondContact O-N 3.06Å; I435-M458 HydrophobicContact CB-SD 4.38Å; I435-M458 HydrophobicContact CG1-CB 4.07Å; I435-M458 HydrophobicContact CG2-SD 4Å; I435-L460 HydrophobicContact CD1-CD2 4.31Å; I435-L472 HydrophobicContact CG2-CD2 3.66Å |
| 436 | F | 93.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.4 | -31.2 | -172.2 | -67.3 | -60.1 | 0 | 0 | 0 | 113.7 | L289 A318 I320 I323 N432 N433 L439 C440 L472 Y476 | L289-F436 HydrophobicContact CD1-CE2 3.97Å; L289-F436 HydrophobicContact CD1-CZ 4.11Å; L289-F436 HydrophobicContact CD2-CE2 4.45Å; L289-F436 HydrophobicContact CD2-CZ 4.25Å; L289-F436 HydrophobicContact CG-CE2 4.44Å; L289-F436 HydrophobicContact CG-CZ 4.15Å; A318-F436 HydrophobicContact CB-CD2 4.07Å; A318-F436 HydrophobicContact CB-CE2 4.18Å; I320-F436 HydrophobicContact CD1-CB 3.92Å; I323-F436 HydrophobicContact CD1-CB 3.66Å; I323-F436 HydrophobicContact CD1-CG 4.32Å; I323-F436 HydrophobicContact CG1-CB 4.29Å; I323-F436 HydrophobicContact CG1-CG 4.49Å; I323-F436 HydrophobicContact CG2-CB 4.44Å; I323-F436 HydrophobicContact CG2-CD1 3.98Å; I323-F436 HydrophobicContact CG2-CD2 3.96Å; I323-F436 HydrophobicContact CG2-CE1 4.2Å; I323-F436 HydrophobicContact CG2-CE2 4.18Å; I323-F436 HydrophobicContact CG2-CG 3.88Å; I323-F436 HydrophobicContact CG2-CZ 4.31Å; N432-F436 HydrophobicContact CB-CE2 4.4Å; N432-F436 WeakPolarHBondContact O-CD2 3.37Å; N432-F436 PolarHBondContact O-N 3.22Å; N433-F436 PolarHBondContact O-N 2.82Å; F436-L439 HydrophobicContact CD1-CD1 4.36Å; F436-L439 PolarHBondContact O-N 3.18Å; F436-C440 WeakPolarHBondContact O-CB 3.45Å; F436-C440 PolarHBondContact O-N 3.49Å; F436-C440 PolarHBondContact O-SG 3.15Å; F436-C440 VanDerWaalsContact O-SG 3.38Å; F436-L472 HydrophobicContact CE1-CD1 4.18Å; F436-L472 HydrophobicContact CE1-CD2 4.37Å; F436-L472 HydrophobicContact CE1-CG 4.41Å; F436-L472 HydrophobicContact CZ-CD1 4.23Å; F436-Y476 HydrophobicContact CD1-CD1 4.47Å; F436-Y476 AromaticContact CE1-CD1 3.67Å; F436-Y476 HydrophobicContact CE1-CD1 3.67Å; F436-Y476 HydrophobicContact CE1-CD2 4.1Å; F436-Y476 AromaticContact CE1-CE1 3.62Å; F436-Y476 HydrophobicContact CE1-CE1 3.62Å; F436-Y476 HydrophobicContact CE1-CE2 4.07Å; F436-Y476 AromaticContact CE1-CG 3.92Å; F436-Y476 HydrophobicContact CE1-CG 3.92Å; F436-Y476 AromaticContact CE1-CZ 3.83Å; F436-Y476 HydrophobicContact CE2-CE1 4.43Å; F436-Y476 HydrophobicContact CZ-CD1 4.1Å; F436-Y476 HydrophobicContact CZ-CD2 4.43Å; F436-Y476 AromaticContact CZ-CE1 3.53Å; F436-Y476 HydrophobicContact CZ-CE1 3.53Å; F436-Y476 AromaticContact CZ-CE2 3.93Å; F436-Y476 HydrophobicContact CZ-CE2 3.93Å; F436-Y476 AromaticContact CZ-CZ 3.44Å; F436-Y476 VanDerWaalsContact CZ-CZ 3.44Å |
| 437 | Q | 92.9 | Very high | 92.6 | Very high | 100 Ų | 100 | 50 Ų | 50 | 47% | 0.467 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.6 | -51.9 | 174.1 | 179.1 | 174.1 | -11 | 0 | 0 | 110.8 | I320 N433 I435 L439 C440 E441 | I320-Q437 HydrophobicContact CD1-CB 3.9Å; N433-Q437 WeakPolarHBondContact O-CB 3Å; N433-Q437 PolarHBondContact O-N 2.9Å; I435-Q437 VanDerWaalsContact C-N 3.29Å; I435-Q437 PolarHBondContact O-N 2.76Å; Q437-L439 VanDerWaalsContact C-N 3.29Å; Q437-L439 PolarHBondContact O-N 2.69Å; Q437-C440 PolarHBondContact O-N 2.77Å; Q437-E441 HydrophobicContact CG-CG 4.38Å; Q437-E441 VanDerWaalsContact CG-OE1 3.25Å; Q437-E441 WeakPolarHBondContact CG-OE1 3.44Å; Q437-E441 PolarHBondContact NE2-OE1 3.41Å; Q437-E441 WeakPolarHBondContact O-CB 3.32Å; Q437-E441 VanDerWaalsContact O-CG 3.3Å; Q437-E441 WeakPolarHBondContact O-CG 3.36Å; Q437-E441 PolarHBondContact O-N 3.43Å |
| 438 | T | 94.3 | Very high | 92.5 | Very high | 21 Ų | 21 | 51.6 Ų | 51.6 | 13% | 0.129 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.1 | -38.3 | 177.2 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | R434 I435 E441 V442 H454 M458 | R434-T438 PolarHBondContact O-N 2.85Å; R434-T438 PolarHBondContact O-OG1 2.87Å; I435-T438 PolarHBondContact O-N 2.73Å; T438-E441 PolarHBondContact O-N 3.18Å; T438-V442 HydrophobicContact CG2-CG2 4.42Å; T438-V442 WeakPolarHBondContact O-CG2 3.29Å; T438-V442 PolarHBondContact O-N 2.96Å; T438-H454 HydrophobicContact CG2-CB 4.32Å; T438-M458 HydrophobicContact CG2-CG 3.79Å; T438-M458 HydrophobicContact CG2-SD 4.18Å |
| 439 | L | 93.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 175.9 | -62.6 | 179.9 | 0 | 0 | 0 | 112.5 | I435 F436 Q437 V442 A443 I450 M458 L469 L472 L473 I478 | I435-L439 HydrophobicContact CG2-CD1 3.79Å; I435-L439 HydrophobicContact CG2-CG 4.31Å; I435-L439 WeakPolarHBondContact O-CG 3.42Å; I435-L439 PolarHBondContact O-N 3.06Å; F436-L439 HydrophobicContact CD1-CD1 4.36Å; F436-L439 PolarHBondContact O-N 3.18Å; Q437-L439 VanDerWaalsContact C-N 3.29Å; Q437-L439 PolarHBondContact O-N 2.69Å; L439-V442 PolarHBondContact O-N 2.9Å; L439-A443 VanDerWaalsContact O-CB 3.26Å; L439-A443 WeakPolarHBondContact O-CB 3.3Å; L439-A443 PolarHBondContact O-N 3.31Å; L439-I450 HydrophobicContact CD2-CD1 3.43Å; L439-I450 VanDerWaalsContact CD2-CD1 3.43Å; L439-M458 HydrophobicContact CD2-CE 4.01Å; L439-M458 HydrophobicContact CD2-SD 3.67Å; L439-M458 HydrophobicContact CG-SD 3.86Å; L439-L469 HydrophobicContact CD1-CD1 4.31Å; L439-L469 HydrophobicContact CD2-CD1 3.95Å; L439-L472 HydrophobicContact CD1-CD2 4.04Å; L439-L473 HydrophobicContact CD1-CD2 4.35Å; L439-L473 HydrophobicContact CD2-CD2 4.12Å; L439-I478 HydrophobicContact CB-CD1 4.08Å; L439-I478 HydrophobicContact CD1-CD1 4Å |
| 440 | C | 90.6 | Very high | 92.6 | Very high | 61 Ų | 61 | 50.5 Ų | 50.5 | 41% | 0.412 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.2 | -36.5 | 175.4 | -73.7 | 0 | 0 | 0 | 0 | 113 | F436 Q437 G444 | F436-C440 WeakPolarHBondContact O-CB 3.45Å; F436-C440 PolarHBondContact O-N 3.49Å; F436-C440 PolarHBondContact O-SG 3.15Å; F436-C440 VanDerWaalsContact O-SG 3.38Å; Q437-C440 PolarHBondContact O-N 2.77Å; C440-G444 PolarHBondContact O-N 2.84Å |
| 441 | E | 92 | Very high | 92.6 | Very high | 111 Ų | 111 | 47 Ų | 47 | 52% | 0.519 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 175.5 | -74.8 | 169.3 | 179.3 | 0 | 0 | 111.6 | Q437 T438 S445 | Q437-E441 HydrophobicContact CG-CG 4.38Å; Q437-E441 VanDerWaalsContact CG-OE1 3.25Å; Q437-E441 WeakPolarHBondContact CG-OE1 3.44Å; Q437-E441 PolarHBondContact NE2-OE1 3.41Å; Q437-E441 WeakPolarHBondContact O-CB 3.32Å; Q437-E441 VanDerWaalsContact O-CG 3.3Å; Q437-E441 WeakPolarHBondContact O-CG 3.36Å; Q437-E441 PolarHBondContact O-N 3.43Å; T438-E441 PolarHBondContact O-N 3.18Å; E441-S445 PolarHBondContact O-N 3.44Å |
| 442 | V | 93.6 | Very high | 92.6 | Very high | 10 Ų | 10 | 47 Ų | 47 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.9 | -47.2 | 176 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | T438 L439 G444 S445 T449 I450 V480 | T438-V442 HydrophobicContact CG2-CG2 4.42Å; T438-V442 WeakPolarHBondContact O-CG2 3.29Å; T438-V442 PolarHBondContact O-N 2.96Å; L439-V442 PolarHBondContact O-N 2.9Å; V442-G444 VanDerWaalsContact C-N 3.26Å; V442-G444 PolarHBondContact O-N 2.83Å; V442-S445 VanDerWaalsContact O-CB 3.3Å; V442-S445 WeakPolarHBondContact O-CB 3.21Å; V442-S445 PolarHBondContact O-N 2.79Å; V442-S445 PolarHBondContact O-OG 2.9Å; V442-T449 WeakPolarHBondContact CG1-O 3.41Å; V442-I450 HydrophobicContact CG1-CG1 4.05Å; V442-V480 HydrophobicContact CG1-CG1 4.03Å |
| 443 | A | 90.9 | Very high | 92.6 | Very high | 43 Ų | 43 | 51.9 Ų | 51.9 | 36% | 0.355 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.2 | -28.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L439 S445 I478 V480 | L439-A443 VanDerWaalsContact O-CB 3.26Å; L439-A443 WeakPolarHBondContact O-CB 3.3Å; L439-A443 PolarHBondContact O-N 3.31Å; A443-S445 VanDerWaalsContact C-N 3.35Å; A443-I478 HydrophobicContact CB-CG2 4.1Å; A443-V480 HydrophobicContact CB-CG1 3.78Å |
| 444 | G | 90.4 | Very high | 92.7 | Very high | 69 Ų | 69 | 53.7 Ų | 53.7 | 71% | 0.711 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -0.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115 | C440 V442 | C440-G444 PolarHBondContact O-N 2.84Å; V442-G444 VanDerWaalsContact C-N 3.26Å; V442-G444 PolarHBondContact O-N 2.83Å |
| 445 | S | 92.5 | Very high | 92.7 | Very high | 55 Ų | 55 | 47.9 Ų | 47.9 | 39% | 0.385 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -85.8 | 172.3 | -177.1 | 81.5 | 0 | 0 | 0 | 0 | 113 | E441 V442 A443 D447 | E441-S445 PolarHBondContact O-N 3.44Å; V442-S445 VanDerWaalsContact O-CB 3.3Å; V442-S445 WeakPolarHBondContact O-CB 3.21Å; V442-S445 PolarHBondContact O-N 2.79Å; V442-S445 PolarHBondContact O-OG 2.9Å; A443-S445 VanDerWaalsContact C-N 3.35Å; S445-D447 VanDerWaalsContact C-N 3.26Å; S445-D447 PolarHBondContact O-N 2.89Å; S445-D447 VanDerWaalsContact OG-C 3.3Å; S445-D447 PolarHBondContact OG-N 3.09Å; S445-D447 PolarHBondContact OG-O 3.19Å |
| 446 | S | 89.5 | Confident | 92.7 | Very high | 133 Ų | 133 | 54.6 Ų | 54.6 | 93% | 0.93 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -73.9 | -15.1 | 175.3 | 55.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 447 | D | 90.4 | Very high | 92.7 | Very high | 95 Ų | 95 | 56.6 Ų | 56.6 | 51% | 0.508 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -137.7 | 92.7 | 177.2 | -179.5 | 40.1 | 0 | 0 | 0 | 108.5 | S445 T449 | S445-D447 VanDerWaalsContact C-N 3.26Å; S445-D447 PolarHBondContact O-N 2.89Å; S445-D447 VanDerWaalsContact OG-C 3.3Å; S445-D447 PolarHBondContact OG-N 3.09Å; S445-D447 PolarHBondContact OG-O 3.19Å; D447-T449 PolarHBondContact O-N 3.13Å; D447-T449 VanDerWaalsContact OD1-CG2 3.32Å; D447-T449 WeakPolarHBondContact OD1-CG2 3.15Å; D447-T449 PolarHBondContact OD2-OG1 3.36Å |
| 448 | P | 92 | Very high | 92.8 | Very high | 47 Ų | 47 | 51.9 Ų | 51.9 | 31% | 0.305 | 32% | 0.318 | S | S | . | . | trans | -76.1 | 60.9 | -173.3 | 32.1 | -36.2 | 0 | 0 | 0 | 111.6 | V480 T481 | P448-V480 HydrophobicContact CB-CG1 4.12Å; P448-V480 CarbonylContact O-C 3.6Å; P448-V480 WeakPolarHBondContact O-CA 3.32Å; P448-V480 WeakPolarHBondContact O-CB 3.39Å; P448-T481 PolarHBondContact O-N 2.82Å | ||
| 449 | T | 92.8 | Very high | 92.7 | Very high | 23 Ų | 23 | 52 Ų | 52 | 14% | 0.141 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 127.9 | -179.5 | 58.4 | 0 | 0 | 0 | 0 | 111.9 | V442 D447 H454 T481 | V442-T449 WeakPolarHBondContact CG1-O 3.41Å; D447-T449 PolarHBondContact O-N 3.13Å; D447-T449 VanDerWaalsContact OD1-CG2 3.32Å; D447-T449 WeakPolarHBondContact OD1-CG2 3.15Å; D447-T449 PolarHBondContact OD2-OG1 3.36Å; T449-H454 PolarHBondContact O-CE1 2.8Å; T449-H454 VanDerWaalsContact O-CE1 3.31Å; T449-H454 PolarHBondContact O-ND1 3.03Å; T449-T481 CarbonylContact C-O 3.52Å; T449-T481 VanDerWaalsContact CA-O 3.31Å; T449-T481 WeakPolarHBondContact CA-O 3.38Å |
| 450 | I | 93.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 119.5 | 171.9 | -65.5 | -177.5 | 0 | 0 | 0 | 108.9 | L439 V442 H454 M455 M458 L469 L473 V480 T481 L482 L483 | L439-I450 HydrophobicContact CD2-CD1 3.43Å; L439-I450 VanDerWaalsContact CD2-CD1 3.43Å; V442-I450 HydrophobicContact CG1-CG1 4.05Å; I450-H454 HydrophobicContact CG2-CB 4.09Å; I450-M455 HydrophobicContact CG2-CG 3.96Å; I450-M458 HydrophobicContact CG2-CE 4.49Å; I450-L469 HydrophobicContact CD1-CD2 4.23Å; I450-L469 HydrophobicContact CG2-CD2 4.01Å; I450-L473 HydrophobicContact CD1-CD1 4.26Å; I450-L473 HydrophobicContact CD1-CD2 4.32Å; I450-V480 HydrophobicContact CD1-CB 4.35Å; I450-V480 HydrophobicContact CD1-CG2 3.55Å; I450-V480 HydrophobicContact CG1-CB 4.3Å; I450-V480 HydrophobicContact CG1-CG2 4.01Å; I450-T481 PolarHBondContact N-O 2.79Å; I450-L482 HydrophobicContact CB-CD2 3.71Å; I450-L482 HydrophobicContact CB-CG 4.43Å; I450-L482 HydrophobicContact CD1-CD2 4.23Å; I450-L482 HydrophobicContact CG2-CD2 3.62Å; I450-L483 CarbonylContact O-C 3.47Å; I450-L483 PolarHBondContact O-N 3.27Å |
| 451 | T | 93.6 | Very high | 93 | Very high | 46 Ų | 46 | 51.5 Ų | 51.5 | 28% | 0.282 | 32% | 0.316 | S | S | . | . | trans | -99.2 | 169.1 | 176.7 | 66.7 | 0 | 0 | 0 | 0 | 111.3 | D453 H454 M455 | T451-D453 PolarHBondContact O-N 2.85Å; T451-D453 PolarHBondContact OG1-N 3.24Å; T451-H454 PolarHBondContact N-ND1 2.75Å; T451-H454 PolarHBondContact O-N 2.73Å; T451-H454 VanDerWaalsContact O-N 3.14Å; T451-H454 PolarHBondContact OG1-N 2.81Å; T451-H454 VanDerWaalsContact OG1-N 3.16Å; T451-M455 PolarHBondContact O-N 3Å; T451-M455 VanDerWaalsContact O-N 3.09Å | ||
| 452 | A | 93.8 | Very high | 93.1 | Very high | 23 Ų | 23 | 47 Ų | 47 | 19% | 0.19 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.5 | -29.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113 | M455 R456 P462 | A452-M455 PolarHBondContact O-N 2.88Å; A452-R456 VanDerWaalsContact O-CG 3.32Å; A452-R456 WeakPolarHBondContact O-CG 3.35Å; A452-R456 PolarHBondContact O-N 2.91Å; A452-P462 HydrophobicContact CB-CB 3.95Å; A452-P462 HydrophobicContact CB-CG 4.06Å |
| 453 | D | 92.9 | Very high | 92.9 | Very high | 103 Ų | 103 | 51.3 Ų | 51.3 | 55% | 0.551 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -75.5 | -35 | 176 | -71 | -34.5 | 0 | 0 | 0 | 112.3 | T451 M455 R456 A457 | T451-D453 PolarHBondContact O-N 2.85Å; T451-D453 PolarHBondContact OG1-N 3.24Å; D453-M455 VanDerWaalsContact C-N 3.32Å; D453-M455 PolarHBondContact O-N 3.45Å; D453-R456 PolarHBondContact O-N 2.84Å; D453-R456 IonicContact OD1-CZ 3.3Å; D453-R456 IonicContact OD1-NH1 2.77Å; D453-R456 PolarHBondContact OD1-NH1 3.39Å; D453-A457 WeakPolarHBondContact O-CB 3.3Å; D453-A457 PolarHBondContact O-N 3.21Å |
| 454 | H | 94.5 | Very high | 92.9 | Very high | 64 Ų | 64 | 51 Ų | 51 | 30% | 0.296 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 169 | -61.3 | 160.6 | 0 | 0 | 0 | 110.9 | T438 T449 I450 T451 A457 M458 | T438-H454 HydrophobicContact CG2-CB 4.32Å; T449-H454 PolarHBondContact O-CE1 2.8Å; T449-H454 VanDerWaalsContact O-CE1 3.31Å; T449-H454 PolarHBondContact O-ND1 3.03Å; I450-H454 HydrophobicContact CG2-CB 4.09Å; T451-H454 PolarHBondContact N-ND1 2.75Å; T451-H454 PolarHBondContact O-N 2.73Å; T451-H454 VanDerWaalsContact O-N 3.14Å; T451-H454 PolarHBondContact OG1-N 2.81Å; T451-H454 VanDerWaalsContact OG1-N 3.16Å; H454-A457 WeakPolarHBondContact O-CB 3.41Å; H454-A457 PolarHBondContact O-N 3.49Å; H454-M458 WeakPolarHBondContact O-CG 3.44Å; H454-M458 PolarHBondContact O-N 3.23Å |
| 455 | M | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.4 | -45.7 | 175.5 | -68.4 | -172.4 | 73.2 | 0 | 0 | 113.2 | I450 T451 A452 D453 A457 M458 G459 L460 D461 P462 D465 L469 I484 | I450-M455 HydrophobicContact CG2-CG 3.96Å; T451-M455 PolarHBondContact O-N 3Å; T451-M455 VanDerWaalsContact O-N 3.09Å; A452-M455 PolarHBondContact O-N 2.88Å; D453-M455 VanDerWaalsContact C-N 3.32Å; D453-M455 PolarHBondContact O-N 3.45Å; M455-A457 VanDerWaalsContact C-N 3.29Å; M455-A457 PolarHBondContact O-N 2.89Å; M455-M458 HydrophobicContact CG-CE 4.19Å; M455-M458 CarbonylContact O-C 3.55Å; M455-M458 WeakPolarHBondContact O-CB 3.42Å; M455-M458 PolarHBondContact O-N 3.46Å; M455-M458 VanDerWaalsContact O-N 3.12Å; M455-G459 PolarHBondContact O-N 3.15Å; M455-L460 CarbonylContact C-O 3.46Å; M455-L460 HydrophobicContact CB-CB 4.42Å; M455-L460 HydrophobicContact CE-CB 4.3Å; M455-L460 PolarHBondContact O-N 3.27Å; M455-D461 WeakPolarHBondContact CE-O 3.15Å; M455-P462 HydrophobicContact CB-CG 4.27Å; M455-P462 HydrophobicContact SD-CB 4.38Å; M455-D465 HydrophobicContact CE-CB 4.19Å; M455-L469 HydrophobicContact CE-CB 4.37Å; M455-L469 HydrophobicContact CE-CD2 3.88Å; M455-L469 HydrophobicContact CG-CD2 3.76Å; M455-L469 HydrophobicContact SD-CD2 3.92Å; M455-I484 HydrophobicContact CE-CD1 4.49Å; M455-I484 HydrophobicContact SD-CD1 3.4Å; M455-I484 WeakPolarHBondContact SD-CD1 3.45Å; M455-I484 HydrophobicContact SD-CG1 3.84Å |
| 456 | R | 94.1 | Very high | 93.2 | Very high | 141 Ų | 141 | 48.5 Ų | 48.5 | 53% | 0.532 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 173 | -68.4 | 168.5 | -168.8 | 129.7 | 4 | 111.7 | A452 D453 M458 G459 P462 | A452-R456 VanDerWaalsContact O-CG 3.32Å; A452-R456 WeakPolarHBondContact O-CG 3.35Å; A452-R456 PolarHBondContact O-N 2.91Å; D453-R456 PolarHBondContact O-N 2.84Å; D453-R456 IonicContact OD1-CZ 3.3Å; D453-R456 IonicContact OD1-NH1 2.77Å; D453-R456 PolarHBondContact OD1-NH1 3.39Å; R456-M458 VanDerWaalsContact C-N 3.26Å; R456-M458 PolarHBondContact O-N 2.82Å; R456-G459 PolarHBondContact O-N 3.4Å; R456-P462 HydrophobicContact CG-CG 4.01Å |
| 457 | A | 93.7 | Very high | 93.4 | Very high | 43 Ų | 43 | 43.5 Ų | 43.5 | 36% | 0.355 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.5 | -31.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R434 D453 H454 M455 G459 | R434-A457 PolarHBondContact NE-O 2.99Å; R434-A457 PolarHBondContact NH2-O 3.29Å; D453-A457 WeakPolarHBondContact O-CB 3.3Å; D453-A457 PolarHBondContact O-N 3.21Å; H454-A457 WeakPolarHBondContact O-CB 3.41Å; H454-A457 PolarHBondContact O-N 3.49Å; M455-A457 VanDerWaalsContact C-N 3.29Å; M455-A457 PolarHBondContact O-N 2.89Å; A457-G459 VanDerWaalsContact C-N 3.32Å |
| 458 | M | 94.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -8.6 | 170.5 | -68.7 | -173.9 | -72.7 | 0 | 0 | 114.4 | I435 T438 L439 I450 H454 M455 R456 L460 L469 | I435-M458 HydrophobicContact CB-SD 4.38Å; I435-M458 HydrophobicContact CG1-CB 4.07Å; I435-M458 HydrophobicContact CG2-SD 4Å; T438-M458 HydrophobicContact CG2-CG 3.79Å; T438-M458 HydrophobicContact CG2-SD 4.18Å; L439-M458 HydrophobicContact CD2-CE 4.01Å; L439-M458 HydrophobicContact CD2-SD 3.67Å; L439-M458 HydrophobicContact CG-SD 3.86Å; I450-M458 HydrophobicContact CG2-CE 4.49Å; H454-M458 WeakPolarHBondContact O-CG 3.44Å; H454-M458 PolarHBondContact O-N 3.23Å; M455-M458 HydrophobicContact CG-CE 4.19Å; M455-M458 CarbonylContact O-C 3.55Å; M455-M458 WeakPolarHBondContact O-CB 3.42Å; M455-M458 PolarHBondContact O-N 3.46Å; M455-M458 VanDerWaalsContact O-N 3.12Å; R456-M458 VanDerWaalsContact C-N 3.26Å; R456-M458 PolarHBondContact O-N 2.82Å; M458-L460 HydrophobicContact CB-CD1 4.25Å; M458-L460 HydrophobicContact CB-CG 4.07Å; M458-L460 HydrophobicContact CE-CD1 4.27Å; M458-L469 HydrophobicContact CE-CD1 4.35Å; M458-L469 HydrophobicContact CE-CD2 3.82Å |
| 459 | G | 93.4 | Very high | 93.8 | Very high | 25 Ų | 25 | 36.7 Ų | 36.7 | 26% | 0.258 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 20.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | K395 M455 R456 A457 | K395-G459 WeakPolarHBondContact CE-O 3.5Å; K395-G459 PolarHBondContact NZ-O 2.71Å; K395-G459 VanDerWaalsContact NZ-O 3.16Å; M455-G459 PolarHBondContact O-N 3.15Å; R456-G459 PolarHBondContact O-N 3.4Å; A457-G459 VanDerWaalsContact C-N 3.32Å |
| 460 | L | 95.8 | Very high | 93.8 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | trans | -100.5 | 150.4 | 178.4 | -59.2 | -177.6 | 0 | 0 | 0 | 111 | W285 I435 M455 M458 D465 F468 | W285-L460 HydrophobicContact CH2-CD2 4.31Å; I435-L460 HydrophobicContact CD1-CD2 4.31Å; M455-L460 CarbonylContact C-O 3.46Å; M455-L460 HydrophobicContact CB-CB 4.42Å; M455-L460 HydrophobicContact CE-CB 4.3Å; M455-L460 PolarHBondContact O-N 3.27Å; M458-L460 HydrophobicContact CB-CD1 4.25Å; M458-L460 HydrophobicContact CB-CG 4.07Å; M458-L460 HydrophobicContact CE-CD1 4.27Å; L460-D465 WeakPolarHBondContact CA-OD2 3.46Å; L460-D465 HydrophobicContact CB-CB 3.87Å; L460-D465 HydrophobicContact CD2-CB 4.32Å; L460-D465 HydrophobicContact CG-CB 4.48Å; L460-F468 HydrophobicContact CD1-CD1 4.18Å; L460-F468 HydrophobicContact CD1-CE1 4.15Å; L460-F468 HydrophobicContact CD2-CD1 4.12Å; L460-F468 HydrophobicContact CD2-CE1 3.87Å | ||
| 461 | D | 94.5 | Very high | 93.9 | Very high | 45 Ų | 45 | 40.2 Ų | 40.2 | 24% | 0.241 | 22% | 0.22 | C | C | . | . | trans | -78.5 | 122.5 | 171.5 | -171.2 | -73 | 0 | 0 | 0 | 110.4 | N389 A391 M455 Q463 G464 D465 | N389-D461 HydrophobicContact CB-CB 4.29Å; A391-D461 HydrophobicContact CB-CB 4.06Å; M455-D461 WeakPolarHBondContact CE-O 3.15Å; D461-Q463 PolarHBondContact O-N 3.32Å; D461-Q463 PolarHBondContact OD1-N 3.12Å; D461-G464 PolarHBondContact OD1-N 3.46Å; D461-D465 PolarHBondContact N-OD2 3.11Å; D461-D465 WeakPolarHBondContact O-CB 3.32Å; D461-D465 PolarHBondContact O-N 2.93Å | ||
| 462 | P | 92.9 | Very high | 93.9 | Very high | 18 Ų | 18 | 38 Ų | 38 | 12% | 0.117 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -24.4 | -175.8 | -28.1 | 36.2 | 0 | 0 | 0 | 115.7 | A452 M455 R456 I484 | A452-P462 HydrophobicContact CB-CB 3.95Å; A452-P462 HydrophobicContact CB-CG 4.06Å; M455-P462 HydrophobicContact CB-CG 4.27Å; M455-P462 HydrophobicContact SD-CB 4.38Å; R456-P462 HydrophobicContact CG-CG 4.01Å; P462-I484 HydrophobicContact CB-CG2 4.3Å |
| 463 | Q | 90.4 | Very high | 93.9 | Very high | 100 Ų | 100 | 37.6 Ų | 37.6 | 47% | 0.467 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -44.6 | -179.2 | -67.8 | -68.4 | -16.2 | 0 | 0 | 111.1 | D461 N486 | D461-Q463 PolarHBondContact O-N 3.32Å; D461-Q463 PolarHBondContact OD1-N 3.12Å; Q463-N486 PolarHBondContact NE2-OD1 3Å |
| 464 | G | 91.3 | Very high | 93.8 | Very high | 37 Ų | 37 | 40.3 Ų | 40.3 | 38% | 0.381 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -35.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D461 | D461-G464 PolarHBondContact OD1-N 3.46Š|
| 465 | D | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 10.5 | -178.5 | -68.4 | -41.4 | 0 | 0 | 0 | 113.4 | K286 N389 M455 L460 D461 F468 L469 | K286-D465 WeakPolarHBondContact CE-OD1 3.35Å; K286-D465 IonicContact NZ-OD1 3.54Å; K286-D465 PolarHBondContact NZ-OD1 3.43Å; N389-D465 PolarHBondContact ND2-OD1 3.27Å; N389-D465 PolarHBondContact ND2-OD2 3.35Å; M455-D465 HydrophobicContact CE-CB 4.19Å; L460-D465 WeakPolarHBondContact CA-OD2 3.46Å; L460-D465 HydrophobicContact CB-CB 3.87Å; L460-D465 HydrophobicContact CD2-CB 4.32Å; L460-D465 HydrophobicContact CG-CB 4.48Å; D461-D465 PolarHBondContact N-OD2 3.11Å; D461-D465 WeakPolarHBondContact O-CB 3.32Å; D461-D465 PolarHBondContact O-N 2.93Å; D465-F468 HydrophobicContact CB-CB 4.42Å; D465-F468 HydrophobicContact CB-CD1 4.36Å; D465-F468 WeakPolarHBondContact O-CB 3.48Å; D465-F468 PolarHBondContact O-N 3.16Å; D465-L469 WeakPolarHBondContact O-CB 3.36Å; D465-L469 PolarHBondContact O-N 2.96Å |
| 466 | R | 92.8 | Very high | 93.4 | Very high | 71 Ų | 71 | 40 Ų | 40 | 27% | 0.268 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.6 | -51.8 | 178.5 | 178 | 175.9 | 175.3 | 129.5 | 17.2 | 112.1 | F468 L469 E470 I484 | R466-F468 VanDerWaalsContact C-N 3.32Å; R466-F468 PolarHBondContact O-N 2.95Å; R466-L469 PolarHBondContact O-N 3.23Å; R466-L469 VanDerWaalsContact O-N 3.15Å; R466-E470 HydrophobicContact CG-CG 4.5Å; R466-E470 IonicContact CZ-OE1 3.88Å; R466-E470 VanDerWaalsContact CZ-OE1 3.3Å; R466-E470 IonicContact NE-OE1 2.82Å; R466-E470 PolarHBondContact NE-OE1 2.69Å; R466-E470 IonicContact NH2-OE1 2.77Å; R466-E470 PolarHBondContact NH2-OE1 3.46Å; R466-E470 WeakPolarHBondContact O-CG 3.45Å; R466-E470 PolarHBondContact O-N 2.99Å; R466-I484 HydrophobicContact CB-CD1 4.21Å; R466-I484 HydrophobicContact CG-CD1 3.8Å |
| 467 | S | 93.4 | Very high | 93.1 | Very high | 27 Ų | 27 | 36.4 Ų | 36.4 | 19% | 0.189 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.1 | -37.1 | 178.2 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | L469 E470 D471 | S467-L469 VanDerWaalsContact C-N 3.32Å; S467-L469 PolarHBondContact O-N 3.47Å; S467-E470 PolarHBondContact O-N 3.09Å; S467-D471 WeakPolarHBondContact O-CB 3.3Å; S467-D471 PolarHBondContact O-N 2.95Å |
| 468 | F | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.7 | -43.8 | 172.8 | 169.1 | -113.4 | 0 | 0 | 0 | 111.6 | W285 K286 L289 L290 L385 L460 D465 R466 L472 | W285-F468 HydrophobicContact CH2-CE1 4.48Å; W285-F468 HydrophobicContact CH2-CZ 4.46Å; K286-F468 HydrophobicContact CB-CD2 3.66Å; K286-F468 HydrophobicContact CB-CE2 3.57Å; K286-F468 HydrophobicContact CB-CZ 4.36Å; K286-F468 HydrophobicContact CD-CD2 4.12Å; K286-F468 HydrophobicContact CD-CG 4.18Å; K286-F468 HydrophobicContact CG-CD1 4.49Å; K286-F468 HydrophobicContact CG-CD2 3.72Å; K286-F468 HydrophobicContact CG-CE1 4.42Å; K286-F468 HydrophobicContact CG-CE2 3.64Å; K286-F468 HydrophobicContact CG-CG 4.15Å; K286-F468 HydrophobicContact CG-CZ 3.99Å; L289-F468 HydrophobicContact CD2-CZ 3.92Å; L290-F468 HydrophobicContact CD1-CD2 3.92Å; L290-F468 HydrophobicContact CD1-CE2 4.35Å; L290-F468 HydrophobicContact CD2-CD2 4.19Å; L290-F468 HydrophobicContact CD2-CE2 4.15Å; L290-F468 HydrophobicContact CG-CD2 3.95Å; L290-F468 HydrophobicContact CG-CE2 3.9Å; L385-F468 HydrophobicContact CD2-CB 3.56Å; L385-F468 HydrophobicContact CD2-CD2 4.48Å; L460-F468 HydrophobicContact CD1-CD1 4.18Å; L460-F468 HydrophobicContact CD1-CE1 4.15Å; L460-F468 HydrophobicContact CD2-CD1 4.12Å; L460-F468 HydrophobicContact CD2-CE1 3.87Å; D465-F468 HydrophobicContact CB-CB 4.42Å; D465-F468 HydrophobicContact CB-CD1 4.36Å; D465-F468 WeakPolarHBondContact O-CB 3.48Å; D465-F468 PolarHBondContact O-N 3.16Å; R466-F468 VanDerWaalsContact C-N 3.32Å; R466-F468 PolarHBondContact O-N 2.95Å; F468-L472 HydrophobicContact CZ-CD2 4.45Å; F468-L472 VanDerWaalsContact O-CB 3.29Å; F468-L472 WeakPolarHBondContact O-CB 3.47Å; F468-L472 PolarHBondContact O-N 3.47Å |
| 469 | L | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -72.2 | -39.5 | -179.6 | -176 | 53.9 | 0 | 0 | 0 | 112 | L439 I450 M455 M458 D465 R466 S467 L472 L473 L482 | L439-L469 HydrophobicContact CD1-CD1 4.31Å; L439-L469 HydrophobicContact CD2-CD1 3.95Å; I450-L469 HydrophobicContact CD1-CD2 4.23Å; I450-L469 HydrophobicContact CG2-CD2 4.01Å; M455-L469 HydrophobicContact CE-CB 4.37Å; M455-L469 HydrophobicContact CE-CD2 3.88Å; M455-L469 HydrophobicContact CG-CD2 3.76Å; M455-L469 HydrophobicContact SD-CD2 3.92Å; M458-L469 HydrophobicContact CE-CD1 4.35Å; M458-L469 HydrophobicContact CE-CD2 3.82Å; D465-L469 WeakPolarHBondContact O-CB 3.36Å; D465-L469 PolarHBondContact O-N 2.96Å; R466-L469 PolarHBondContact O-N 3.23Å; R466-L469 VanDerWaalsContact O-N 3.15Å; S467-L469 VanDerWaalsContact C-N 3.32Å; S467-L469 PolarHBondContact O-N 3.47Å; L469-L472 HydrophobicContact CD1-CD2 4.4Å; L469-L472 PolarHBondContact O-N 3.14Å; L469-L473 HydrophobicContact CD1-CG 4.25Å; L469-L473 HydrophobicContact CG-CD1 4.43Å; L469-L473 VanDerWaalsContact O-CG 3.25Å; L469-L473 WeakPolarHBondContact O-CG 3.43Å; L469-L473 PolarHBondContact O-N 3.24Å; L469-L482 HydrophobicContact CD2-CD2 3.71Å; L469-L482 HydrophobicContact CG-CD2 4.13Å |
| 470 | E | 93.7 | Very high | 92.3 | Very high | 75 Ų | 75 | 42.3 Ų | 42.3 | 35% | 0.35 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57 | -51.6 | 172.8 | -72.6 | 169.1 | 171.2 | 0 | 0 | 111 | R466 S467 L472 L473 E474 L482 | R466-E470 HydrophobicContact CG-CG 4.5Å; R466-E470 IonicContact CZ-OE1 3.88Å; R466-E470 VanDerWaalsContact CZ-OE1 3.3Å; R466-E470 IonicContact NE-OE1 2.82Å; R466-E470 PolarHBondContact NE-OE1 2.69Å; R466-E470 IonicContact NH2-OE1 2.77Å; R466-E470 PolarHBondContact NH2-OE1 3.46Å; R466-E470 WeakPolarHBondContact O-CG 3.45Å; R466-E470 PolarHBondContact O-N 2.99Å; S467-E470 PolarHBondContact O-N 3.09Å; E470-L472 VanDerWaalsContact C-N 3.31Å; E470-L472 PolarHBondContact O-N 2.63Å; E470-L473 PolarHBondContact O-N 3.39Å; E470-E474 PolarHBondContact O-N 2.99Å; E470-L482 HydrophobicContact CB-CD1 4.4Å; E470-L482 HydrophobicContact CG-CD1 3.32Å |
| 471 | D | 94.1 | Very high | 91.9 | Very high | 22 Ų | 22 | 46.2 Ų | 46.2 | 12% | 0.118 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.4 | -39 | 173.6 | -93.7 | 47.5 | 0 | 0 | 0 | 112.4 | L290 K292 S467 E474 V475 | L290-D471 HydrophobicContact CD1-CB 3.74Å; L290-D471 HydrophobicContact CD2-CB 3.69Å; L290-D471 HydrophobicContact CG-CB 4.35Å; K292-D471 WeakPolarHBondContact CE-OD2 3.4Å; K292-D471 IonicContact NZ-OD2 3.65Å; K292-D471 PolarHBondContact NZ-OD2 3.36Å; S467-D471 WeakPolarHBondContact O-CB 3.3Å; S467-D471 PolarHBondContact O-N 2.95Å; D471-E474 PolarHBondContact O-N 3.45Å; D471-V475 WeakPolarHBondContact O-CB 3.41Å; D471-V475 VanDerWaalsContact O-CG2 3.25Å; D471-V475 WeakPolarHBondContact O-CG2 3.48Å; D471-V475 PolarHBondContact O-N 3.24Å |
| 472 | L | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.1 | -39.9 | -177.3 | -172.5 | 70.7 | 0 | 0 | 0 | 111.8 | L289 L290 I435 F436 L439 F468 L469 E470 Y476 | L289-L472 HydrophobicContact CD2-CD1 4.07Å; L289-L472 HydrophobicContact CD2-CD2 4.4Å; L289-L472 HydrophobicContact CG-CD1 4.1Å; L290-L472 VanDerWaalsContact CD2-CA 3.44Å; L290-L472 HydrophobicContact CD2-CB 3.71Å; L290-L472 HydrophobicContact CD2-CD1 3.9Å; L290-L472 HydrophobicContact CD2-CG 4.44Å; L290-L472 VanDerWaalsContact CD2-N 3.34Å; I435-L472 HydrophobicContact CG2-CD2 3.66Å; F436-L472 HydrophobicContact CE1-CD1 4.18Å; F436-L472 HydrophobicContact CE1-CD2 4.37Å; F436-L472 HydrophobicContact CE1-CG 4.41Å; F436-L472 HydrophobicContact CZ-CD1 4.23Å; L439-L472 HydrophobicContact CD1-CD2 4.04Å; F468-L472 HydrophobicContact CZ-CD2 4.45Å; F468-L472 VanDerWaalsContact O-CB 3.29Å; F468-L472 WeakPolarHBondContact O-CB 3.47Å; F468-L472 PolarHBondContact O-N 3.47Å; L469-L472 HydrophobicContact CD1-CD2 4.4Å; L469-L472 PolarHBondContact O-N 3.14Å; E470-L472 VanDerWaalsContact C-N 3.31Å; E470-L472 PolarHBondContact O-N 2.63Å; L472-Y476 HydrophobicContact CD1-CD2 3.67Å; L472-Y476 HydrophobicContact CD1-CE2 3.59Å; L472-Y476 HydrophobicContact CG-CD2 4.28Å; L472-Y476 WeakPolarHBondContact O-CB 3.34Å; L472-Y476 WeakPolarHBondContact O-CD2 3.33Å; L472-Y476 PolarHBondContact O-N 3.23Å |
| 473 | L | 93.4 | Very high | 91.1 | Very high | 13 Ų | 13 | 49 Ų | 49 | 7% | 0.068 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 175.9 | -67.5 | 172.6 | 0 | 0 | 0 | 111.3 | L439 I450 L469 E470 G477 I478 V480 L482 | L439-L473 HydrophobicContact CD1-CD2 4.35Å; L439-L473 HydrophobicContact CD2-CD2 4.12Å; I450-L473 HydrophobicContact CD1-CD1 4.26Å; I450-L473 HydrophobicContact CD1-CD2 4.32Å; L469-L473 HydrophobicContact CD1-CG 4.25Å; L469-L473 HydrophobicContact CG-CD1 4.43Å; L469-L473 VanDerWaalsContact O-CG 3.25Å; L469-L473 WeakPolarHBondContact O-CG 3.43Å; L469-L473 PolarHBondContact O-N 3.24Å; E470-L473 PolarHBondContact O-N 3.39Å; L473-G477 WeakPolarHBondContact O-CA 3.48Å; L473-G477 PolarHBondContact O-N 3.48Å; L473-I478 HydrophobicContact CD2-CB 3.72Å; L473-I478 HydrophobicContact CD2-CG2 3.73Å; L473-I478 PolarHBondContact O-N 3.09Å; L473-V480 HydrophobicContact CD1-CG2 3.53Å; L473-V480 HydrophobicContact CD2-CG2 3.41Å; L473-V480 VanDerWaalsContact CD2-CG2 3.41Å; L473-V480 HydrophobicContact CG-CG2 4.08Å; L473-L482 HydrophobicContact CD1-CD1 3.71Å; L473-L482 HydrophobicContact CD1-CG 4.07Å |
| 474 | E | 91.9 | Very high | 90.2 | Very high | 161 Ų | 161 | 44.7 Ų | 44.7 | 75% | 0.752 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.2 | -52.7 | 175.2 | -174.2 | -177.8 | 171.7 | 0 | 0 | 111.3 | E470 D471 Y476 G477 | E470-E474 PolarHBondContact O-N 2.99Å; D471-E474 PolarHBondContact O-N 3.45Å; E474-Y476 VanDerWaalsContact C-N 3.28Å; E474-Y476 PolarHBondContact O-N 3Å; E474-G477 PolarHBondContact O-N 3.08Å |
| 475 | V | 90.9 | Very high | 88.6 | Confident | 44 Ų | 44 | 48.4 Ų | 48.4 | 27% | 0.267 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60 | -37.6 | -177.4 | 168.9 | 0 | 0 | 0 | 0 | 112.1 | R291 V327 D471 | R291-V475 HydrophobicContact CB-CG1 4.35Å; R291-V475 HydrophobicContact CG-CG1 4.18Å; V327-V475 HydrophobicContact CG1-CG1 3.75Å; V327-V475 VanDerWaalsContact CG2-O 3.3Å; V327-V475 WeakPolarHBondContact CG2-O 3.27Å; D471-V475 WeakPolarHBondContact O-CB 3.41Å; D471-V475 VanDerWaalsContact O-CG2 3.25Å; D471-V475 WeakPolarHBondContact O-CG2 3.48Å; D471-V475 PolarHBondContact O-N 3.24Å |
| 476 | Y | 90.2 | Very high | 86.6 | Confident | 14 Ų | 14 | 53.5 Ų | 53.5 | 6% | 0.055 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -94.4 | -5.2 | -178.1 | -75.9 | -103.2 | 0 | 0 | 0 | 114.2 | L289 R291 I323 V327 F436 L472 E474 | L289-Y476 WeakPolarHBondContact O-CE2 3.43Å; L289-Y476 PolarHBondContact O-OH 2.9Å; R291-Y476 PolarHBondContact NE-OH 2.99Å; R291-Y476 PolarHBondContact NH2-OH 3.44Å; I323-Y476 HydrophobicContact CG2-CD1 4.08Å; I323-Y476 HydrophobicContact CG2-CE1 3.85Å; V327-Y476 HydrophobicContact CG2-CD1 3.86Å; V327-Y476 HydrophobicContact CG2-CE1 4.22Å; V327-Y476 HydrophobicContact CG2-CG 4.06Å; F436-Y476 HydrophobicContact CD1-CD1 4.47Å; F436-Y476 AromaticContact CE1-CD1 3.67Å; F436-Y476 HydrophobicContact CE1-CD1 3.67Å; F436-Y476 HydrophobicContact CE1-CD2 4.1Å; F436-Y476 AromaticContact CE1-CE1 3.62Å; F436-Y476 HydrophobicContact CE1-CE1 3.62Å; F436-Y476 HydrophobicContact CE1-CE2 4.07Å; F436-Y476 AromaticContact CE1-CG 3.92Å; F436-Y476 HydrophobicContact CE1-CG 3.92Å; F436-Y476 AromaticContact CE1-CZ 3.83Å; F436-Y476 HydrophobicContact CE2-CE1 4.43Å; F436-Y476 HydrophobicContact CZ-CD1 4.1Å; F436-Y476 HydrophobicContact CZ-CD2 4.43Å; F436-Y476 AromaticContact CZ-CE1 3.53Å; F436-Y476 HydrophobicContact CZ-CE1 3.53Å; F436-Y476 AromaticContact CZ-CE2 3.93Å; F436-Y476 HydrophobicContact CZ-CE2 3.93Å; F436-Y476 AromaticContact CZ-CZ 3.44Å; F436-Y476 VanDerWaalsContact CZ-CZ 3.44Å; L472-Y476 HydrophobicContact CD1-CD2 3.67Å; L472-Y476 HydrophobicContact CD1-CE2 3.59Å; L472-Y476 HydrophobicContact CG-CD2 4.28Å; L472-Y476 WeakPolarHBondContact O-CB 3.34Å; L472-Y476 WeakPolarHBondContact O-CD2 3.33Å; L472-Y476 PolarHBondContact O-N 3.23Å; E474-Y476 VanDerWaalsContact C-N 3.28Å; E474-Y476 PolarHBondContact O-N 3Å |
| 477 | G | 88.4 | Confident | 84.3 | Confident | 65 Ų | 65 | 57.9 Ų | 57.9 | 67% | 0.67 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 38.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L473 E474 | L473-G477 WeakPolarHBondContact O-CA 3.48Å; L473-G477 PolarHBondContact O-N 3.48Å; E474-G477 PolarHBondContact O-N 3.08Å |
| 478 | I | 88.3 | Confident | 81.8 | Confident | 29 Ų | 29 | 61.9 Ų | 61.9 | 15% | 0.149 | 35% | 0.349 | C | S | . | . | trans | -96.1 | 111.4 | -177.1 | -59.8 | 174.1 | 0 | 0 | 0 | 109.2 | L439 A443 L473 V480 | L439-I478 HydrophobicContact CB-CD1 4.08Å; L439-I478 HydrophobicContact CD1-CD1 4Å; A443-I478 HydrophobicContact CB-CG2 4.1Å; L473-I478 HydrophobicContact CD2-CB 3.72Å; L473-I478 HydrophobicContact CD2-CG2 3.73Å; L473-I478 PolarHBondContact O-N 3.09Å; I478-V480 HydrophobicContact CG2-CG1 4.11Å; I478-V480 HydrophobicContact CG2-CG2 4.29Å; I478-V480 PolarHBondContact O-N 3.48Å | ||
| 479 | D | 86.8 | Confident | 79.2 | Confident | 146 Ų | 146 | 67.9 Ų | 67.9 | 78% | 0.781 | 39% | 0.389 | S | S | * | . | trans | -83.4 | 98.9 | -177.5 | -171 | 16 | 0 | 0 | 0 | 111.7 | ||||
| 480 | V | 89.4 | Confident | 76.2 | Confident | 18 Ų | 18 | 77.5 Ų | 77.5 | 11% | 0.109 | 46% | 0.456 | C | S | . | . | trans | -149.5 | 149.1 | 178.6 | -65.7 | 0 | 0 | 0 | 0 | 110.5 | V442 A443 P448 I450 L473 I478 | V442-V480 HydrophobicContact CG1-CG1 4.03Å; A443-V480 HydrophobicContact CB-CG1 3.78Å; P448-V480 HydrophobicContact CB-CG1 4.12Å; P448-V480 CarbonylContact O-C 3.6Å; P448-V480 WeakPolarHBondContact O-CA 3.32Å; P448-V480 WeakPolarHBondContact O-CB 3.39Å; I450-V480 HydrophobicContact CD1-CB 4.35Å; I450-V480 HydrophobicContact CD1-CG2 3.55Å; I450-V480 HydrophobicContact CG1-CB 4.3Å; I450-V480 HydrophobicContact CG1-CG2 4.01Å; L473-V480 HydrophobicContact CD1-CG2 3.53Å; L473-V480 HydrophobicContact CD2-CG2 3.41Å; L473-V480 VanDerWaalsContact CD2-CG2 3.41Å; L473-V480 HydrophobicContact CG-CG2 4.08Å; I478-V480 HydrophobicContact CG2-CG1 4.11Å; I478-V480 HydrophobicContact CG2-CG2 4.29Å; I478-V480 PolarHBondContact O-N 3.48Å | ||
| 481 | T | 88.1 | Confident | 75.4 | Confident | 86 Ų | 86 | 77.6 Ų | 77.6 | 53% | 0.528 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 127.2 | 178.3 | -62.2 | 0 | 0 | 0 | 0 | 111.3 | P448 T449 I450 L483 | P448-T481 PolarHBondContact O-N 2.82Å; T449-T481 CarbonylContact C-O 3.52Å; T449-T481 VanDerWaalsContact CA-O 3.31Å; T449-T481 WeakPolarHBondContact CA-O 3.38Å; I450-T481 PolarHBondContact N-O 2.79Å; T481-L483 PolarHBondContact O-N 3.22Å |
| 482 | L | 86.3 | Confident | 74.4 | Confident | 31 Ų | 31 | 80.5 Ų | 80.5 | 16% | 0.162 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 107.6 | 177.3 | -79.6 | 157.8 | 0 | 0 | 0 | 111.7 | I450 L469 E470 L473 I484 | I450-L482 HydrophobicContact CB-CD2 3.71Å; I450-L482 HydrophobicContact CB-CG 4.43Å; I450-L482 HydrophobicContact CD1-CD2 4.23Å; I450-L482 HydrophobicContact CG2-CD2 3.62Å; L469-L482 HydrophobicContact CD2-CD2 3.71Å; L469-L482 HydrophobicContact CG-CD2 4.13Å; E470-L482 HydrophobicContact CB-CD1 4.4Å; E470-L482 HydrophobicContact CG-CD1 3.32Å; L473-L482 HydrophobicContact CD1-CD1 3.71Å; L473-L482 HydrophobicContact CD1-CG 4.07Å; L482-I484 HydrophobicContact CD2-CD1 4Å |
| 483 | L | 82.6 | Confident | 73.3 | Confident | 89 Ų | 89 | 85 Ų | 85 | 47% | 0.466 | 51% | 0.506 | S | S | . | . | trans | -114.3 | 74 | -180 | -146.8 | 166.5 | 0 | 0 | 0 | 109.5 | I450 T481 | I450-L483 CarbonylContact O-C 3.47Å; I450-L483 PolarHBondContact O-N 3.27Å; T481-L483 PolarHBondContact O-N 3.22Å | ||
| 484 | I | 72.8 | Confident | 72.1 | Confident | 11 Ų | 11 | 89.2 Ų | 89.2 | 6% | 0.056 | 53% | 0.532 | C | S | . | . | trans | -100.1 | 103.6 | 175.5 | -54.6 | 154.3 | 0 | 0 | 0 | 107 | M455 P462 R466 L482 N486 | M455-I484 HydrophobicContact CE-CD1 4.49Å; M455-I484 HydrophobicContact SD-CD1 3.4Å; M455-I484 WeakPolarHBondContact SD-CD1 3.45Å; M455-I484 HydrophobicContact SD-CG1 3.84Å; P462-I484 HydrophobicContact CB-CG2 4.3Å; R466-I484 HydrophobicContact CB-CD1 4.21Å; R466-I484 HydrophobicContact CG-CD1 3.8Å; L482-I484 HydrophobicContact CD2-CD1 4Å; I484-N486 PolarHBondContact O-N 3.43Å | ||
| 485 | D | 57.6 | Low | 70.9 | Confident | 114 Ų | 114 | 84.8 Ų | 84.8 | 61% | 0.61 | 52% | 0.518 | S | S | * | . | trans | -61.4 | 119.1 | -179.9 | -73.4 | -41.8 | 0 | 0 | 0 | 111.4 | L487 | D485-L487 HydrophobicContact CB-CG 4.39Å; D485-L487 PolarHBondContact O-N 3.36Å | ||
| 486 | N | 51.4 | Low | 69.5 | Low | 107 Ų | 107 | 87.5 Ų | 87.5 | 57% | 0.572 | 54% | 0.535 | S | S | * | . | trans | -75.2 | 79.6 | 162.6 | -78.9 | -13.1 | 0 | 0 | 0 | 108.9 | Q463 I484 C488 | Q463-N486 PolarHBondContact NE2-OD1 3Å; I484-N486 PolarHBondContact O-N 3.43Å; N486-C488 PolarHBondContact O-N 3.49Å | ||
| 487 | L | 46 | Very low | 68.1 | Low | 163 Ų | 163 | 92.7 Ų | 92.7 | 85% | 0.853 | 57% | 0.569 | S | S | * | * | trans | -70.4 | 63.5 | 162 | -76.3 | 168.2 | 0 | 0 | 0 | 110.1 | D485 | D485-L487 HydrophobicContact CB-CG 4.39Å; D485-L487 PolarHBondContact O-N 3.36Å | ||
| 488 | C | 41.4 | Very low | 66.5 | Low | 112 Ų | 112 | 94.8 Ų | 94.8 | 76% | 0.757 | 56% | 0.562 | S | S | * | * | trans | -117 | 60.6 | 170.1 | -69.3 | 0 | 0 | 0 | 0 | 109.7 | N486 | N486-C488 PolarHBondContact O-N 3.49Š| ||
| 489 | C | 41.3 | Very low | 64.7 | Low | 125 Ų | 125 | 100.3 Ų | 100.3 | 85% | 0.845 | 60% | 0.596 | S | S | * | * | trans | -116.9 | 93.6 | 159.4 | -76.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 490 | S | 32.5 | Very low | 62.7 | Low | 202 Ų | 202 | 96.2 Ų | 96.2 | 100% | 1.413 | 58% | 0.579 | S | S | * | * | trans | -157 | 0 | 167.4 | -70.2 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 490 of 490 residues in 308.6 ms
(Link to these results)