| 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 | 47.6 | Very low | 56.3 | Low | 247 Ų | 247 | 160.4 Ų | 160.4 | 100% | 1.217 | 86% | 0.863 | S | S | * | * | 0 | 103.2 | 0 | -62.4 | 168.3 | 172.2 | 0 | 0 | 104.2 | |||||
| 2 | E | 60 | Low | 56.7 | Low | 163 Ų | 163 | 159.8 Ų | 159.8 | 76% | 0.762 | 86% | 0.859 | S | S | * | * | -156.5 | 133.1 | 71.2 | -142 | 174.7 | 108 | 0 | 0 | 107.9 | R4 | E2-R4 IonicContact OE1-NE 3.79Å; E2-R4 IonicContact OE1-NH2 3.62Å | |||
| 3 | K | 53.1 | Low | 56.4 | Low | 203 Ų | 203 | 156.9 Ų | 156.9 | 88% | 0.883 | 85% | 0.853 | S | S | * | * | trans | -87.1 | 130.5 | 178.6 | -62.5 | -160.1 | 176.8 | -171.3 | 0 | 108.7 | ||||
| 4 | R | 60.7 | Low | 56.5 | Low | 223 Ų | 223 | 153.7 Ų | 153.7 | 84% | 0.842 | 85% | 0.848 | S | S | * | * | trans | -132.5 | 126.5 | 156.7 | -68.9 | -167.9 | -179.9 | -165.3 | 0.3 | 110.8 | E2 | E2-R4 IonicContact OE1-NE 3.79Å; E2-R4 IonicContact OE1-NH2 3.62Å | ||
| 5 | K | 65.9 | Low | 56.2 | Low | 199 Ų | 199 | 151.1 Ų | 151.1 | 87% | 0.865 | 84% | 0.841 | S | S | * | * | trans | -72.5 | 156.2 | -165.7 | -83.7 | 165.1 | 165.3 | 173.7 | 0 | 112.8 | ||||
| 6 | P | 59.1 | Low | 55.7 | Low | 126 Ų | 126 | 152.7 Ų | 152.7 | 82% | 0.818 | 85% | 0.847 | S | S | * | * | trans | -72.8 | 138.1 | 173 | 31.1 | -33.9 | 0 | 0 | 0 | 111.3 | G8 | P6-G8 PolarHBondContact O-N 3.19Š| ||
| 7 | A | 57.3 | Low | 55.6 | Low | 105 Ų | 105 | 157.8 Ų | 157.8 | 87% | 0.868 | 85% | 0.85 | S | S | * | * | trans | -75.5 | 114 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 8 | G | 51.4 | Low | 56.1 | Low | 69 Ų | 69 | 156.1 Ų | 156.1 | 71% | 0.711 | 85% | 0.846 | S | S | * | * | trans | 40.3 | 92.3 | 139.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | P6 L10 | P6-G8 PolarHBondContact O-N 3.19Å; G8-L10 PolarHBondContact O-N 2.95Å | ||
| 9 | L | 55.1 | Low | 56.4 | Low | 175 Ų | 175 | 153.6 Ų | 153.6 | 92% | 0.916 | 84% | 0.839 | S | S | * | * | trans | -67.4 | 109.9 | 146.2 | -77.8 | 158.9 | 0 | 0 | 0 | 108.6 | ||||
| 10 | L | 54.4 | Low | 56.2 | Low | 160 Ų | 160 | 152.2 Ų | 152.2 | 84% | 0.838 | 84% | 0.837 | S | S | * | * | trans | -110.4 | 90.1 | 159.4 | -67.9 | -178.5 | 0 | 0 | 0 | 108.1 | G8 L12 | G8-L10 PolarHBondContact O-N 2.95Å; L10-L12 PolarHBondContact O-N 2.93Å | ||
| 11 | A | 54.6 | Low | 55.9 | Low | 94 Ų | 94 | 153.5 Ų | 153.5 | 78% | 0.777 | 84% | 0.843 | S | S | * | * | trans | -64.9 | 122.8 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 12 | L | 61.7 | Low | 55.9 | Low | 154 Ų | 154 | 145.1 Ų | 145.1 | 81% | 0.806 | 82% | 0.819 | S | S | * | * | trans | -126.3 | 147.7 | 164.9 | -76.5 | 179.1 | 0 | 0 | 0 | 109.9 | L10 | L10-L12 PolarHBondContact O-N 2.93Š| ||
| 13 | P | 52 | Low | 55.4 | Low | 122 Ų | 122 | 141.7 Ų | 141.7 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | trans | -82.1 | 140.3 | -154.2 | 30.8 | -33.3 | 0 | 0 | 0 | 113.6 | ||||
| 14 | S | 58.4 | Low | 55.1 | Low | 112 Ų | 112 | 140.4 Ų | 140.4 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | trans | -74.7 | 179.6 | 162.8 | -45.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 15 | P | 52.3 | Low | 54.3 | Low | 114 Ų | 114 | 135.3 Ų | 135.3 | 74% | 0.74 | 82% | 0.819 | S | S | * | * | cis | -123.7 | 152.7 | -44.9 | 31.9 | -16.2 | 0 | 0 | 0 | 111.1 | R17 | P15-R17 PolarHBondContact O-N 2.67Š| ||
| 16 | L | 48.1 | Very low | 53.3 | Low | 177 Ų | 177 | 137.6 Ų | 137.6 | 93% | 0.927 | 82% | 0.822 | S | S | * | * | trans | -85.1 | 109.2 | 167.9 | -76.8 | 169.6 | 0 | 0 | 0 | 110.4 | T18 | L16-T18 PolarHBondContact O-N 2.78Š| ||
| 17 | R | 53.7 | Low | 52.8 | Low | 239 Ų | 239 | 141 Ų | 141 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | -65 | 112.1 | 172.9 | -172.7 | 160 | 92.8 | -138.9 | 13.2 | 109.9 | P15 | P15-R17 PolarHBondContact O-N 2.67Š| ||
| 18 | T | 64.1 | Low | 52 | Low | 127 Ų | 127 | 142.3 Ų | 142.3 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 129 | 166.5 | 48.7 | 0 | 0 | 0 | 0 | 109.6 | L16 | L16-T18 PolarHBondContact O-N 2.78Š|
| 19 | P | 62.2 | Low | 51.8 | Low | 109 Ų | 109 | 144.5 Ų | 144.5 | 71% | 0.708 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 152.4 | 175.1 | 29.8 | -32.7 | 0 | 0 | 0 | 111.7 | ||
| 20 | P | 52.2 | Low | 51.1 | Low | 125 Ų | 125 | 139.8 Ų | 139.8 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 123.8 | 176 | 31.2 | -31.5 | 0 | 0 | 0 | 110 | G22 | P20-G22 PolarHBondContact O-N 2.82Š|
| 21 | L | 50.8 | Low | 50.5 | Low | 181 Ų | 181 | 144.5 Ų | 144.5 | 95% | 0.948 | 81% | 0.809 | S | S | * | * | trans | -76.6 | 113.8 | 167.2 | -81.5 | 166.1 | 0 | 0 | 0 | 108.7 | ||||
| 22 | G | 48 | Very low | 49.9 | Very low | 70 Ų | 70 | 145.7 Ų | 145.7 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | -64 | 155 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | P20 | P20-G22 PolarHBondContact O-N 2.82Š| ||
| 23 | A | 47.7 | Very low | 49.1 | Very low | 91 Ų | 91 | 143.7 Ų | 143.7 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | -57.6 | 136.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 24 | L | 47.4 | Very low | 48.7 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -125.5 | 92.9 | 145.2 | -71.2 | 178.1 | 0 | 0 | 0 | 107.7 | R26 | L24-R26 PolarHBondContact O-N 2.83Š| ||
| 25 | S | 43.6 | Very low | 48.2 | Very low | 117 Ų | 117 | 148 Ų | 148 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -68.4 | 108.6 | 163.9 | -160.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 26 | R | 44.3 | Very low | 47.9 | Very low | 246 Ų | 246 | 151 Ų | 151 | 93% | 0.928 | 82% | 0.819 | S | S | * | * | trans | -104.9 | 118.5 | 165.8 | -166 | 171.3 | -176.7 | -93.7 | 1.5 | 107.6 | L24 | L24-R26 PolarHBondContact O-N 2.83Š| ||
| 27 | R | 49.9 | Very low | 47.4 | Very low | 199 Ų | 199 | 149.7 Ų | 149.7 | 75% | 0.751 | 81% | 0.814 | S | S | * | * | trans | -102.6 | 156.9 | -167.6 | -148.9 | -162.6 | 163.7 | -175.6 | 0.5 | 110.6 | ||||
| 28 | E | 40.3 | Very low | 47.2 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 62% | 0.617 | 80% | 0.804 | S | S | * | * | trans | 81.7 | 158.9 | 158.5 | -54.3 | -60 | 104.2 | 0 | 0 | 119 | ||||
| 29 | P | 46.8 | Very low | 46.7 | Very low | 115 Ų | 115 | 145 Ų | 145 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | cis | -135.3 | 159 | -43.7 | 34.9 | -18.7 | 0 | 0 | 0 | 112.5 | ||||
| 30 | G | 39.8 | Very low | 46.1 | Very low | 76 Ų | 76 | 146.5 Ų | 146.5 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | -163.4 | 91.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 31 | R | 42.8 | Very low | 46.2 | Very low | 258 Ų | 258 | 145.9 Ų | 145.9 | 97% | 0.974 | 81% | 0.808 | S | S | * | * | trans | -85.3 | 113.5 | -177.6 | -172.3 | 178.8 | -177.1 | -115.1 | 6.1 | 109 | ||||
| 32 | S | 42.4 | Very low | 46.3 | Very low | 119 Ų | 119 | 142 Ų | 142 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -134.5 | 122.3 | 159.7 | 36.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 33 | S | 43.4 | Very low | 46.7 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | -73.5 | 130.3 | -175 | 174.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 34 | A | 44.2 | Very low | 47.4 | Very low | 101 Ų | 101 | 156.2 Ų | 156.2 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | -151.2 | 97.4 | 150.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 35 | R | 48.8 | Very low | 47.9 | Very low | 223 Ų | 223 | 159 Ų | 159 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | trans | -73.1 | 161.9 | 160.6 | -68.3 | 174.6 | 166 | -116.7 | -1.2 | 108.4 | ||||
| 36 | Q | 45.1 | Very low | 48.1 | Very low | 177 Ų | 177 | 159.2 Ų | 159.2 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | trans | 106.9 | 119 | 172.9 | -63.9 | 168 | -3.9 | 0 | 0 | 111.8 | ||||
| 37 | D | 37.3 | Very low | 48.4 | Very low | 151 Ų | 151 | 152.7 Ų | 152.7 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | cis | -149.1 | 124.4 | -3.8 | -79.7 | -57.3 | 0 | 0 | 0 | 106.5 | ||||
| 38 | A | 50.8 | Low | 48.4 | Very low | 85 Ų | 85 | 148.9 Ų | 148.9 | 70% | 0.702 | 80% | 0.804 | S | S | * | * | trans | -91.2 | 115.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 39 | E | 52.3 | Low | 49.1 | Very low | 183 Ų | 183 | 147.4 Ų | 147.4 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | 172.6 | 90 | 154.5 | -78.7 | -36.1 | 75.5 | 0 | 0 | 107.1 | ||||
| 40 | D | 49.3 | Very low | 49.5 | Very low | 140 Ų | 140 | 149.2 Ų | 149.2 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | trans | 166 | 75.1 | 143.1 | -168.5 | 46.2 | 0 | 0 | 0 | 110.2 | ||||
| 41 | S | 55.6 | Low | 50.2 | Low | 111 Ų | 111 | 151.4 Ų | 151.4 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -137 | 5.3 | 167.1 | -76.3 | 0 | 0 | 0 | 0 | 113.6 | R43 | S41-R43 PolarHBondContact O-N 3.3Š| ||
| 42 | A | 52.8 | Low | 50.6 | Low | 101 Ų | 101 | 146.5 Ų | 146.5 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 9.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 43 | R | 57.2 | Low | 50.6 | Low | 230 Ų | 230 | 144 Ų | 144 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.5 | 20.9 | 177.5 | -65 | -160.4 | -172.8 | -82.6 | 1.5 | 115.6 | S41 | S41-R43 PolarHBondContact O-N 3.3Š|
| 44 | R | 60.8 | Low | 51 | Low | 228 Ų | 228 | 142.9 Ų | 142.9 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -99.8 | 112.9 | 156.9 | -70.2 | -154 | 177.2 | -137.7 | -0.5 | 108.3 | P46 | R44-P46 WeakPolarHBondContact O-CD 3.48Å; R44-P46 VanDerWaalsContact O-N 3.12Å |
| 45 | R | 58.7 | Low | 51.6 | Low | 236 Ų | 236 | 144.4 Ų | 144.4 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | trans | -30.4 | 116.8 | 174.4 | -86.6 | -176.4 | 167.1 | -146.2 | -1.5 | 110.1 | C47 | R45-C47 PolarHBondContact O-N 3.21Š| ||
| 46 | P | 48.6 | Very low | 52.5 | Low | 121 Ų | 121 | 136.8 Ų | 136.8 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | -58.9 | 109.7 | 162.5 | -18 | 30.8 | 0 | 0 | 0 | 106 | R44 | R44-P46 WeakPolarHBondContact O-CD 3.48Å; R44-P46 VanDerWaalsContact O-N 3.12Å | ||
| 47 | C | 49.2 | Very low | 53.7 | Low | 108 Ų | 108 | 133.1 Ų | 133.1 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | trans | -51.2 | 128.4 | 150.9 | -63.5 | 0 | 0 | 0 | 0 | 104.8 | R45 S49 | R45-C47 PolarHBondContact O-N 3.21Å; C47-S49 PolarHBondContact O-N 2.66Å | ||
| 48 | P | 51.2 | Low | 56 | Low | 120 Ų | 120 | 129.3 Ų | 129.3 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | trans | -64.4 | 89 | 176.2 | 24.9 | -30.5 | 0 | 0 | 0 | 107.2 | L50 | P48-L50 PolarHBondContact O-N 3.32Š| ||
| 49 | S | 54.7 | Low | 57.6 | Low | 100 Ų | 100 | 129 Ų | 129 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | trans | -68.8 | 93.7 | 162.7 | 59.6 | 0 | 0 | 0 | 0 | 104.1 | C47 S51 | C47-S49 PolarHBondContact O-N 2.66Å; S49-S51 PolarHBondContact O-N 3.01Å | ||
| 50 | L | 55.4 | Low | 59.3 | Low | 153 Ų | 153 | 123.7 Ų | 123.7 | 80% | 0.801 | 74% | 0.741 | S | S | * | * | trans | -53.9 | 95.7 | 155.1 | -64.3 | 173 | 0 | 0 | 0 | 105.3 | P48 L52 | P48-L50 PolarHBondContact O-N 3.32Å; L50-L52 PolarHBondContact O-N 2.74Å | ||
| 51 | S | 54.1 | Low | 61.2 | Low | 122 Ų | 122 | 120.1 Ų | 120.1 | 85% | 0.853 | 72% | 0.722 | S | S | * | * | trans | -66.8 | 76.1 | 159.9 | -88.8 | 0 | 0 | 0 | 0 | 106.3 | S49 | S49-S51 PolarHBondContact O-N 3.01Š| ||
| 52 | L | 51.7 | Low | 62.9 | Low | 156 Ų | 156 | 122.9 Ų | 122.9 | 82% | 0.817 | 72% | 0.715 | S | S | * | * | trans | -130 | 99.4 | 170.3 | -170.6 | 69.8 | 0 | 0 | 0 | 107.2 | L50 | L50-L52 PolarHBondContact O-N 2.74Š| ||
| 53 | G | 41.1 | Very low | 64.9 | Low | 65 Ų | 65 | 122.9 Ų | 122.9 | 67% | 0.67 | 70% | 0.698 | S | S | * | * | trans | 76.1 | 109.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | V55 | G53-V55 VanDerWaalsContact C-N 3.32Å; G53-V55 PolarHBondContact O-N 2.93Å | ||
| 54 | G | 52 | Low | 66.7 | Low | 89 Ų | 89 | 119.7 Ų | 119.7 | 92% | 0.918 | 69% | 0.686 | S | S | * | * | trans | -58.5 | 95.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 55 | V | 57.6 | Low | 68.5 | Low | 133 Ų | 133 | 112.7 Ų | 112.7 | 81% | 0.806 | 67% | 0.666 | S | S | * | * | trans | -103.8 | 92.9 | 151.8 | -169.3 | 0 | 0 | 0 | 0 | 104.1 | G53 E57 | G53-V55 VanDerWaalsContact C-N 3.32Å; G53-V55 PolarHBondContact O-N 2.93Å; V55-E57 PolarHBondContact O-N 3.09Å | ||
| 56 | G | 68.3 | Low | 70.3 | Confident | 64 Ų | 64 | 104.6 Ų | 104.6 | 66% | 0.66 | 64% | 0.638 | S | S | * | * | trans | -49.6 | 129.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 57 | E | 69.5 | Low | 72.7 | Confident | 99 Ų | 99 | 106.3 Ų | 106.3 | 46% | 0.463 | 63% | 0.629 | S | S | . | * | trans | -40.5 | 123.2 | 173.5 | -125.7 | -84.2 | 121.8 | 0 | 0 | 109 | V55 A59 L61 R62 | V55-E57 PolarHBondContact O-N 3.09Å; E57-A59 PolarHBondContact O-N 2.86Å; E57-L61 WeakPolarHBondContact OE1-CB 3.49Å; E57-L61 WeakPolarHBondContact OE1-CD1 2.91Å; E57-L61 WeakPolarHBondContact OE2-CB 3.27Å; E57-R62 HydrophobicContact CB-CG 3.96Å; E57-R62 VanDerWaalsContact O-CD 3.27Å; E57-R62 WeakPolarHBondContact O-CD 3.15Å; E57-R62 WeakPolarHBondContact O-CG 3.23Å; E57-R62 PolarHBondContact OE2-N 3.21Å | ||
| 58 | P | 84.9 | Confident | 75 | Confident | 72 Ų | 72 | 105.1 Ų | 105.1 | 47% | 0.468 | 61% | 0.612 | S | S | . | * | trans | -57.9 | 144 | -170.4 | 22.5 | -33.8 | 0 | 0 | 0 | 110.3 | S60 L61 R62 | P58-S60 PolarHBondContact O-N 3.48Å; P58-L61 HydrophobicContact CG-CB 4.11Å; P58-L61 HydrophobicContact CG-CD1 3.48Å; P58-L61 VanDerWaalsContact CG-CD1 3.48Å; P58-L61 HydrophobicContact CG-CG 3.77Å; P58-L61 WeakPolarHBondContact O-CA 3.34Å; P58-L61 PolarHBondContact O-N 3.48Å; P58-R62 PolarHBondContact O-N 2.91Å; P58-R62 VanDerWaalsContact O-N 3.14Å | ||
| 59 | A | 85.3 | Confident | 77.2 | Confident | 79 Ų | 79 | 106.1 Ų | 106.1 | 65% | 0.653 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -52.2 | -32.8 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E57 Q63 | E57-A59 PolarHBondContact O-N 2.86Å; A59-Q63 WeakPolarHBondContact O-CB 3.05Å; A59-Q63 PolarHBondContact O-N 3.5Å |
| 60 | S | 87.3 | Confident | 79.3 | Confident | 70 Ų | 70 | 106 Ų | 106 | 49% | 0.49 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.7 | -42.7 | 174.4 | -175.2 | 0 | 0 | 0 | 0 | 113 | P58 Q63 R64 | P58-S60 PolarHBondContact O-N 3.48Å; S60-Q63 PolarHBondContact O-N 3.49Å; S60-R64 WeakPolarHBondContact O-CG 3.42Å; S60-R64 PolarHBondContact O-N 3.43Å |
| 61 | L | 90.3 | Very high | 81.4 | Confident | 65 Ų | 65 | 105.7 Ų | 105.7 | 34% | 0.34 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -72 | -36.8 | 179.2 | -65 | -178.1 | 0 | 0 | 0 | 110.9 | E57 P58 Q63 R64 N65 | E57-L61 WeakPolarHBondContact OE1-CB 3.49Å; E57-L61 WeakPolarHBondContact OE1-CD1 2.91Å; E57-L61 WeakPolarHBondContact OE2-CB 3.27Å; P58-L61 HydrophobicContact CG-CB 4.11Å; P58-L61 HydrophobicContact CG-CD1 3.48Å; P58-L61 VanDerWaalsContact CG-CD1 3.48Å; P58-L61 HydrophobicContact CG-CG 3.77Å; P58-L61 WeakPolarHBondContact O-CA 3.34Å; P58-L61 PolarHBondContact O-N 3.48Å; L61-Q63 PolarHBondContact O-N 2.68Å; L61-R64 PolarHBondContact O-N 3.29Å; L61-N65 PolarHBondContact O-N 3.32Å |
| 62 | R | 90.9 | Very high | 83.5 | Confident | 169 Ų | 169 | 102.5 Ų | 102.5 | 64% | 0.638 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -57.7 | -47.1 | 168.8 | -64.4 | -177.9 | 66.5 | -148.8 | -0.6 | 112.3 | E57 P58 R64 N65 E66 | E57-R62 HydrophobicContact CB-CG 3.96Å; E57-R62 VanDerWaalsContact O-CD 3.27Å; E57-R62 WeakPolarHBondContact O-CD 3.15Å; E57-R62 WeakPolarHBondContact O-CG 3.23Å; E57-R62 PolarHBondContact OE2-N 3.21Å; P58-R62 PolarHBondContact O-N 2.91Å; P58-R62 VanDerWaalsContact O-N 3.14Å; R62-R64 VanDerWaalsContact C-N 3.33Å; R62-R64 PolarHBondContact O-N 3.24Å; R62-N65 PolarHBondContact O-N 3.09Å; R62-E66 PolarHBondContact O-N 3.28Å |
| 63 | Q | 94.1 | Very high | 85.7 | Confident | 102 Ų | 102 | 101.8 Ų | 101.8 | 48% | 0.477 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 177.7 | -174.5 | 64.6 | 21.7 | 0 | 0 | 111.8 | A59 S60 L61 R67 | A59-Q63 WeakPolarHBondContact O-CB 3.05Å; A59-Q63 PolarHBondContact O-N 3.5Å; S60-Q63 PolarHBondContact O-N 3.49Å; L61-Q63 PolarHBondContact O-N 2.68Å; Q63-R67 VanDerWaalsContact O-CG 3.31Å; Q63-R67 WeakPolarHBondContact O-CG 3.39Å; Q63-R67 PolarHBondContact O-N 3.08Å; Q63-R67 VanDerWaalsContact O-N 3.11Å |
| 64 | R | 95.7 | Very high | 88.5 | Confident | 163 Ų | 163 | 102.4 Ų | 102.4 | 62% | 0.615 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.3 | -43 | 174.7 | -74 | 170.9 | 176 | 171 | -0.1 | 111.6 | S60 L61 R62 R67 E68 | S60-R64 WeakPolarHBondContact O-CG 3.42Å; S60-R64 PolarHBondContact O-N 3.43Å; L61-R64 PolarHBondContact O-N 3.29Å; R62-R64 VanDerWaalsContact C-N 3.33Å; R62-R64 PolarHBondContact O-N 3.24Å; R64-R67 WeakPolarHBondContact O-CB 3.48Å; R64-R67 PolarHBondContact O-N 3.3Å; R64-E68 PolarHBondContact O-N 2.87Å |
| 65 | N | 97.2 | Very high | 90.7 | Very high | 80 Ų | 80 | 101.2 Ų | 101.2 | 43% | 0.428 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 178 | -164.9 | -96.6 | 0 | 0 | 0 | 111.8 | L61 R62 R67 E68 R69 | L61-N65 PolarHBondContact O-N 3.32Å; R62-N65 PolarHBondContact O-N 3.09Å; N65-R67 VanDerWaalsContact C-N 3.32Å; N65-R67 PolarHBondContact O-N 2.62Å; N65-E68 PolarHBondContact O-N 3.34Å; N65-E68 VanDerWaalsContact O-N 3.17Å; N65-R69 WeakPolarHBondContact O-CG 3.46Å; N65-R69 PolarHBondContact O-N 3.5Å; N65-R69 PolarHBondContact OD1-NE 3.28Å |
| 66 | E | 97.3 | Very high | 92.6 | Very high | 67 Ų | 67 | 98.4 Ų | 98.4 | 31% | 0.313 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 176.5 | -176.6 | 53.3 | -148.1 | 0 | 0 | 111.6 | R62 E68 R69 Q70 | R62-E66 PolarHBondContact O-N 3.28Å; E66-E68 VanDerWaalsContact C-N 3.34Å; E66-E68 PolarHBondContact O-N 3.09Å; E66-R69 WeakPolarHBondContact O-CB 3.35Å; E66-R69 PolarHBondContact O-N 2.87Å; E66-Q70 WeakPolarHBondContact O-CG 3.45Å; E66-Q70 PolarHBondContact O-N 3.17Å; E66-Q70 PolarHBondContact OE1-NE2 3.27Å; E66-Q70 VanDerWaalsContact OE1-NE2 3.17Å |
| 67 | R | 98.1 | Very high | 94 | Very high | 157 Ų | 157 | 100.2 Ų | 100.2 | 59% | 0.592 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.1 | -42.7 | 172.8 | -70.9 | 172.1 | -175.4 | -89 | 2.5 | 112 | Q63 R64 N65 Q70 R71 | Q63-R67 VanDerWaalsContact O-CG 3.31Å; Q63-R67 WeakPolarHBondContact O-CG 3.39Å; Q63-R67 PolarHBondContact O-N 3.08Å; Q63-R67 VanDerWaalsContact O-N 3.11Å; R64-R67 WeakPolarHBondContact O-CB 3.48Å; R64-R67 PolarHBondContact O-N 3.3Å; N65-R67 VanDerWaalsContact C-N 3.32Å; N65-R67 PolarHBondContact O-N 2.62Å; R67-Q70 PolarHBondContact O-N 3.46Å; R67-R71 PolarHBondContact O-N 2.86Å |
| 68 | E | 98.1 | Very high | 95.4 | Very high | 82 Ų | 82 | 96.7 Ų | 96.7 | 38% | 0.383 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.6 | -38.1 | 178 | -176.8 | 56 | -161 | 0 | 0 | 111.9 | R64 N65 E66 Q70 R71 V72 | R64-E68 PolarHBondContact O-N 2.87Å; N65-E68 PolarHBondContact O-N 3.34Å; N65-E68 VanDerWaalsContact O-N 3.17Å; E66-E68 VanDerWaalsContact C-N 3.34Å; E66-E68 PolarHBondContact O-N 3.09Å; E68-Q70 VanDerWaalsContact C-N 3.33Å; E68-Q70 PolarHBondContact O-N 2.95Å; E68-R71 PolarHBondContact O-N 3.46Å; E68-R71 IonicContact OE1-CZ 3.4Å; E68-R71 IonicContact OE1-NE 3.17Å; E68-R71 PolarHBondContact OE1-NE 3.45Å; E68-R71 IonicContact OE1-NH2 2.75Å; E68-R71 PolarHBondContact OE1-NH2 2.98Å; E68-R71 IonicContact OE2-CZ 3.72Å; E68-R71 IonicContact OE2-NE 2.83Å; E68-R71 PolarHBondContact OE2-NE 3.38Å; E68-R71 IonicContact OE2-NH2 3.77Å; E68-V72 WeakPolarHBondContact O-CG2 3.38Å; E68-V72 PolarHBondContact O-N 3.14Å |
| 69 | R | 98.5 | Very high | 96 | Very high | 141 Ų | 141 | 95.6 Ų | 95.6 | 53% | 0.532 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.8 | -45.4 | 172.4 | -72.7 | 175.3 | -178.1 | -98.4 | -0.9 | 111.3 | N65 E66 V72 R73 | N65-R69 WeakPolarHBondContact O-CG 3.46Å; N65-R69 PolarHBondContact O-N 3.5Å; N65-R69 PolarHBondContact OD1-NE 3.28Å; E66-R69 WeakPolarHBondContact O-CB 3.35Å; E66-R69 PolarHBondContact O-N 2.87Å; R69-V72 PolarHBondContact O-N 3.38Å; R69-R73 WeakPolarHBondContact O-CB 2.84Å; R69-R73 VanDerWaalsContact O-CG 3.28Å; R69-R73 WeakPolarHBondContact O-CG 3.49Å; R69-R73 PolarHBondContact O-N 2.88Å |
| 70 | Q | 98.6 | Very high | 96.5 | Very high | 98 Ų | 98 | 94.2 Ų | 94.2 | 46% | 0.458 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 176.5 | -71.2 | 172 | 5.9 | 0 | 0 | 111.7 | E66 R67 E68 V72 R73 C74 | E66-Q70 WeakPolarHBondContact O-CG 3.45Å; E66-Q70 PolarHBondContact O-N 3.17Å; E66-Q70 PolarHBondContact OE1-NE2 3.27Å; E66-Q70 VanDerWaalsContact OE1-NE2 3.17Å; R67-Q70 PolarHBondContact O-N 3.46Å; E68-Q70 VanDerWaalsContact C-N 3.33Å; E68-Q70 PolarHBondContact O-N 2.95Å; Q70-V72 VanDerWaalsContact C-N 3.33Å; Q70-V72 PolarHBondContact O-N 3.22Å; Q70-R73 WeakPolarHBondContact O-CB 3.28Å; Q70-R73 PolarHBondContact O-N 2.81Å; Q70-C74 PolarHBondContact O-N 2.97Å; Q70-C74 PolarHBondContact O-SG 3.27Å |
| 71 | R | 98.5 | Very high | 97 | Very high | 146 Ų | 146 | 97.2 Ų | 97.2 | 55% | 0.551 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -56.8 | -47 | 175.9 | -164.6 | -172.8 | 74.9 | 94.5 | 3 | 111.7 | R67 E68 C74 V75 | R67-R71 PolarHBondContact O-N 2.86Å; E68-R71 PolarHBondContact O-N 3.46Å; E68-R71 IonicContact OE1-CZ 3.4Å; E68-R71 IonicContact OE1-NE 3.17Å; E68-R71 PolarHBondContact OE1-NE 3.45Å; E68-R71 IonicContact OE1-NH2 2.75Å; E68-R71 PolarHBondContact OE1-NH2 2.98Å; E68-R71 IonicContact OE2-CZ 3.72Å; E68-R71 IonicContact OE2-NE 2.83Å; E68-R71 PolarHBondContact OE2-NE 3.38Å; E68-R71 IonicContact OE2-NH2 3.77Å; R71-C74 PolarHBondContact O-N 2.95Å; R71-V75 WeakPolarHBondContact O-CG2 3.49Å; R71-V75 PolarHBondContact O-N 3.17Å |
| 72 | V | 98.5 | Very high | 97.3 | Very high | 56 Ų | 56 | 96.7 Ų | 96.7 | 34% | 0.339 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.4 | -38.4 | 178.7 | 174.2 | 0 | 0 | 0 | 0 | 111.7 | E68 R69 Q70 V75 N76 | E68-V72 WeakPolarHBondContact O-CG2 3.38Å; E68-V72 PolarHBondContact O-N 3.14Å; R69-V72 PolarHBondContact O-N 3.38Å; Q70-V72 VanDerWaalsContact C-N 3.33Å; Q70-V72 PolarHBondContact O-N 3.22Å; V72-V75 PolarHBondContact O-N 3.37Å; V72-N76 WeakPolarHBondContact O-CB 3.38Å; V72-N76 VanDerWaalsContact O-CG 3.29Å; V72-N76 PolarHBondContact O-N 3.05Å; V72-N76 PolarHBondContact O-ND2 3.5Å |
| 73 | R | 98.5 | Very high | 97.6 | Very high | 141 Ų | 141 | 92.3 Ų | 92.3 | 53% | 0.532 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -56.7 | -51.4 | 173.1 | -77.7 | 173.8 | 177.4 | 171.2 | 1.1 | 111 | R69 Q70 V75 N76 E77 | R69-R73 WeakPolarHBondContact O-CB 2.84Å; R69-R73 VanDerWaalsContact O-CG 3.28Å; R69-R73 WeakPolarHBondContact O-CG 3.49Å; R69-R73 PolarHBondContact O-N 2.88Å; Q70-R73 WeakPolarHBondContact O-CB 3.28Å; Q70-R73 PolarHBondContact O-N 2.81Å; R73-V75 VanDerWaalsContact C-N 3.28Å; R73-V75 PolarHBondContact O-N 3.33Å; R73-N76 PolarHBondContact O-N 2.88Å; R73-N76 VanDerWaalsContact O-N 3.08Å; R73-E77 WeakPolarHBondContact O-CG 3.48Å; R73-E77 PolarHBondContact O-N 3.01Å |
| 74 | C | 98.5 | Very high | 97.6 | Very high | 78 Ų | 78 | 94.5 Ų | 94.5 | 53% | 0.527 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -56.4 | -41.5 | 177.9 | -65.9 | 0 | 0 | 0 | 0 | 112.5 | Q70 R71 G78 | Q70-C74 PolarHBondContact O-N 2.97Å; Q70-C74 PolarHBondContact O-SG 3.27Å; R71-C74 PolarHBondContact O-N 2.95Å; C74-G78 PolarHBondContact O-N 3.29Å; C74-G78 VanDerWaalsContact O-N 3.09Å |
| 75 | V | 98.5 | Very high | 97.6 | Very high | 64 Ų | 64 | 93.2 Ų | 93.2 | 39% | 0.388 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.3 | -46.8 | 176.2 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | R71 V72 R73 E77 G78 Y79 | R71-V75 WeakPolarHBondContact O-CG2 3.49Å; R71-V75 PolarHBondContact O-N 3.17Å; V72-V75 PolarHBondContact O-N 3.37Å; R73-V75 VanDerWaalsContact C-N 3.28Å; R73-V75 PolarHBondContact O-N 3.33Å; V75-E77 VanDerWaalsContact C-N 3.34Å; V75-E77 PolarHBondContact O-N 3.4Å; V75-G78 WeakPolarHBondContact O-CA 3.49Å; V75-G78 PolarHBondContact O-N 3.38Å; V75-G78 VanDerWaalsContact O-N 3.1Å; V75-Y79 HydrophobicContact CG1-CD2 4.05Å; V75-Y79 HydrophobicContact CG1-CE2 3.98Å; V75-Y79 WeakPolarHBondContact O-CD2 3.41Å; V75-Y79 PolarHBondContact O-N 3.04Å; V75-Y79 VanDerWaalsContact O-N 3.07Å |
| 76 | N | 98.1 | Very high | 97.6 | Very high | 73 Ų | 73 | 90 Ų | 90 | 39% | 0.39 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.9 | -35.8 | -178 | -70.1 | -17 | 0 | 0 | 0 | 112.1 | V72 R73 G78 Y79 A80 K97 | V72-N76 WeakPolarHBondContact O-CB 3.38Å; V72-N76 VanDerWaalsContact O-CG 3.29Å; V72-N76 PolarHBondContact O-N 3.05Å; V72-N76 PolarHBondContact O-ND2 3.5Å; R73-N76 PolarHBondContact O-N 2.88Å; R73-N76 VanDerWaalsContact O-N 3.08Å; N76-G78 VanDerWaalsContact C-N 3.3Å; N76-G78 PolarHBondContact O-N 2.95Å; N76-Y79 WeakPolarHBondContact O-CB 3.5Å; N76-Y79 PolarHBondContact O-N 3.26Å; N76-A80 PolarHBondContact O-N 2.83Å; N76-K97 PolarHBondContact OD1-NZ 3.28Å |
| 77 | E | 98.3 | Very high | 97.5 | Very high | 103 Ų | 103 | 88.1 Ų | 88.1 | 48% | 0.481 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.3 | -39.5 | 170 | -72.2 | 169.8 | -164.4 | 0 | 0 | 111.7 | R73 V75 Y79 A80 R81 | R73-E77 WeakPolarHBondContact O-CG 3.48Å; R73-E77 PolarHBondContact O-N 3.01Å; V75-E77 VanDerWaalsContact C-N 3.34Å; V75-E77 PolarHBondContact O-N 3.4Å; E77-Y79 VanDerWaalsContact C-N 3.35Å; E77-Y79 PolarHBondContact O-N 3.07Å; E77-A80 PolarHBondContact O-N 3.17Å; E77-R81 WeakPolarHBondContact O-CG 3.32Å; E77-R81 PolarHBondContact O-N 3.07Å |
| 78 | G | 98.1 | Very high | 97 | Very high | 25 Ų | 25 | 91.5 Ų | 91.5 | 26% | 0.258 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58.1 | -44.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | C74 V75 N76 R81 L82 | C74-G78 PolarHBondContact O-N 3.29Å; C74-G78 VanDerWaalsContact O-N 3.09Å; V75-G78 WeakPolarHBondContact O-CA 3.49Å; V75-G78 PolarHBondContact O-N 3.38Å; V75-G78 VanDerWaalsContact O-N 3.1Å; N76-G78 VanDerWaalsContact C-N 3.3Å; N76-G78 PolarHBondContact O-N 2.95Å; G78-R81 PolarHBondContact O-N 3.36Å; G78-L82 WeakPolarHBondContact O-CB 3.43Å; G78-L82 PolarHBondContact O-N 3.23Å |
| 79 | Y | 97.8 | Very high | 96.5 | Very high | 48 Ų | 48 | 94.4 Ų | 94.4 | 19% | 0.188 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -63.7 | -38.8 | 173.9 | -86.8 | -84.5 | 0 | 0 | 0 | 112.6 | V75 N76 E77 L82 R83 K97 T100 L101 | V75-Y79 HydrophobicContact CG1-CD2 4.05Å; V75-Y79 HydrophobicContact CG1-CE2 3.98Å; V75-Y79 WeakPolarHBondContact O-CD2 3.41Å; V75-Y79 PolarHBondContact O-N 3.04Å; V75-Y79 VanDerWaalsContact O-N 3.07Å; N76-Y79 WeakPolarHBondContact O-CB 3.5Å; N76-Y79 PolarHBondContact O-N 3.26Å; E77-Y79 VanDerWaalsContact C-N 3.35Å; E77-Y79 PolarHBondContact O-N 3.07Å; Y79-L82 PolarHBondContact O-N 2.75Å; Y79-R83 WeakPolarHBondContact O-CG 3.1Å; Y79-R83 PolarHBondContact O-N 3.33Å; Y79-R83 VanDerWaalsContact O-N 3.07Å; Y79-K97 HydrophobicContact CD1-CB 4.45Å; Y79-K97 HydrophobicContact CD1-CG 4.26Å; Y79-K97 HydrophobicContact CD2-CG 4.5Å; Y79-K97 HydrophobicContact CE1-CB 3.76Å; Y79-K97 HydrophobicContact CE1-CG 3.93Å; Y79-K97 HydrophobicContact CE2-CD 4.1Å; Y79-K97 HydrophobicContact CE2-CG 4.21Å; Y79-T100 HydrophobicContact CD1-CG2 3.99Å; Y79-L101 HydrophobicContact CE1-CD2 4.05Å; Y79-L101 HydrophobicContact CE1-CG 4.06Å |
| 80 | A | 95.9 | Very high | 95.8 | Very high | 50 Ų | 50 | 90.2 Ų | 90.2 | 41% | 0.413 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.8 | -45.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | N76 E77 L82 R83 Q84 | N76-A80 PolarHBondContact O-N 2.83Å; E77-A80 PolarHBondContact O-N 3.17Å; A80-L82 PolarHBondContact O-N 3.37Å; A80-R83 PolarHBondContact O-N 3.25Å; A80-Q84 PolarHBondContact O-N 2.94Å |
| 81 | R | 96.7 | Very high | 94.8 | Very high | 133 Ų | 133 | 88.2 Ų | 88.2 | 50% | 0.502 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | 173.7 | -69.9 | -170.4 | -62.4 | -91.7 | 2.5 | 111.8 | E77 G78 R83 Q84 H85 | E77-R81 WeakPolarHBondContact O-CG 3.32Å; E77-R81 PolarHBondContact O-N 3.07Å; G78-R81 PolarHBondContact O-N 3.36Å; R81-R83 VanDerWaalsContact C-N 3.25Å; R81-R83 PolarHBondContact O-N 3.07Å; R81-Q84 WeakPolarHBondContact O-CB 3.32Å; R81-Q84 PolarHBondContact O-N 3.49Å; R81-H85 PolarHBondContact O-CD2 2.96Å; R81-H85 VanDerWaalsContact O-CD2 3.22Å |
| 82 | L | 97.3 | Very high | 93.7 | Very high | 55 Ų | 55 | 85 Ų | 85 | 29% | 0.288 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -57.5 | -40 | 177.5 | -178.8 | 57.6 | 0 | 0 | 0 | 111.9 | G78 Y79 A80 Q84 H85 T100 L101 A104 | G78-L82 WeakPolarHBondContact O-CB 3.43Å; G78-L82 PolarHBondContact O-N 3.23Å; Y79-L82 PolarHBondContact O-N 2.75Å; A80-L82 PolarHBondContact O-N 3.37Å; L82-Q84 VanDerWaalsContact C-N 3.29Å; L82-Q84 PolarHBondContact O-N 3.38Å; L82-H85 PolarHBondContact O-N 3.19Å; L82-H85 VanDerWaalsContact O-N 3.16Å; L82-T100 HydrophobicContact CB-CG2 4.41Å; L82-T100 HydrophobicContact CD2-CG2 3.83Å; L82-T100 HydrophobicContact CG-CG2 3.99Å; L82-L101 HydrophobicContact CD2-CD2 4.28Å; L82-A104 HydrophobicContact CD1-CB 3.95Å; L82-A104 HydrophobicContact CD2-CB 4.18Å; L82-A104 HydrophobicContact CG-CB 4.33Å |
| 83 | R | 96.4 | Very high | 93.2 | Very high | 76 Ų | 76 | 87.5 Ų | 87.5 | 29% | 0.287 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.8 | -29.8 | 177.5 | -71.4 | 172.3 | -170.5 | 175.9 | 4.6 | 113.8 | Y79 A80 R81 H85 L86 L95 T100 | Y79-R83 WeakPolarHBondContact O-CG 3.1Å; Y79-R83 PolarHBondContact O-N 3.33Å; Y79-R83 VanDerWaalsContact O-N 3.07Å; A80-R83 PolarHBondContact O-N 3.25Å; R81-R83 VanDerWaalsContact C-N 3.25Å; R81-R83 PolarHBondContact O-N 3.07Å; R83-H85 PolarHBondContact O-N 3.28Å; R83-L86 HydrophobicContact CG-CD1 4.44Å; R83-L86 PolarHBondContact O-N 3.43Å; R83-L95 PolarHBondContact NH2-O 2.94Å; R83-T100 HydrophobicContact CG-CG2 3.69Å; R83-T100 PolarHBondContact NE-OG1 3.44Å; R83-T100 VanDerWaalsContact NE-OG1 3.09Å; R83-T100 PolarHBondContact NH2-OG1 3.31Å |
| 84 | Q | 95.1 | Very high | 92.7 | Very high | 149 Ų | 149 | 92.5 Ų | 92.5 | 70% | 0.696 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -67.2 | -22.5 | 176.6 | -65.1 | 169.9 | -19.9 | 0 | 0 | 112.5 | A80 R81 L82 | A80-Q84 PolarHBondContact O-N 2.94Å; R81-Q84 WeakPolarHBondContact O-CB 3.32Å; R81-Q84 PolarHBondContact O-N 3.49Å; L82-Q84 VanDerWaalsContact C-N 3.29Å; L82-Q84 PolarHBondContact O-N 3.38Å |
| 85 | H | 95.8 | Very high | 92.5 | Very high | 136 Ų | 136 | 89.6 Ų | 89.6 | 63% | 0.63 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -3.8 | 177.4 | -64.9 | -68.2 | 0 | 0 | 0 | 113.7 | R81 L82 R83 Y107 | R81-H85 PolarHBondContact O-CD2 2.96Å; R81-H85 VanDerWaalsContact O-CD2 3.22Å; L82-H85 PolarHBondContact O-N 3.19Å; L82-H85 VanDerWaalsContact O-N 3.16Å; R83-H85 PolarHBondContact O-N 3.28Å; H85-Y107 WeakPolarHBondContact O-CE1 3.38Å |
| 86 | L | 96.3 | Very high | 92.4 | Very high | 11 Ų | 11 | 89.1 Ų | 89.1 | 6% | 0.058 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -75.7 | 158.6 | 174.5 | -65 | -178.3 | 0 | 0 | 0 | 110.6 | R83 L90 L95 T100 A103 A104 | R83-L86 HydrophobicContact CG-CD1 4.44Å; R83-L86 PolarHBondContact O-N 3.43Å; L86-L90 HydrophobicContact CB-CB 4.39Å; L86-L95 HydrophobicContact CD1-CD1 3.6Å; L86-T100 HydrophobicContact CD1-CG2 4.29Å; L86-A103 HydrophobicContact CD1-CB 3.89Å; L86-A103 HydrophobicContact CD2-CB 4.01Å; L86-A104 HydrophobicContact CD2-CB 4.1Å |
| 87 | P | 95.5 | Very high | 92.4 | Very high | 28 Ų | 28 | 90.5 Ų | 90.5 | 18% | 0.182 | 45% | 0.447 | C | S | . | . | trans | -49.3 | 143.7 | 173.6 | -27.2 | 33.9 | 0 | 0 | 0 | 112.2 | E89 L90 A91 Y107 | P87-E89 WeakPolarHBondContact CB-OE2 3.43Å; P87-E89 PolarHBondContact O-N 3.47Å; P87-E89 VanDerWaalsContact O-N 3.09Å; P87-L90 HydrophobicContact CB-CD1 4.33Å; P87-L90 HydrophobicContact CG-CD1 4.2Å; P87-L90 WeakPolarHBondContact O-CA 3.5Å; P87-L90 WeakPolarHBondContact O-CB 3.47Å; P87-L90 PolarHBondContact O-N 3.23Å; P87-A91 PolarHBondContact O-N 3.5Å; P87-A91 VanDerWaalsContact O-N 3.08Å; P87-Y107 HydrophobicContact CG-CD1 4.41Å; P87-Y107 HydrophobicContact CG-CD2 3.51Å; P87-Y107 HydrophobicContact CG-CE2 3.65Å; P87-Y107 HydrophobicContact CG-CG 3.93Å | ||
| 88 | R | 87.3 | Confident | 92.4 | Very high | 228 Ų | 228 | 89.3 Ų | 89.3 | 86% | 0.86 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -58.1 | -30 | -171.7 | -75.1 | -176.6 | 174.7 | -177.1 | -0.6 | 112.6 | L90 A91 | R88-L90 PolarHBondContact O-N 3.07Å; R88-A91 PolarHBondContact O-N 3.09Å |
| 89 | E | 88.5 | Confident | 92.3 | Very high | 144 Ų | 144 | 92.6 Ų | 92.6 | 67% | 0.673 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.7 | -28.1 | 177.1 | -54.5 | 72.6 | -153.5 | 0 | 0 | 112.1 | P87 Q93 | P87-E89 WeakPolarHBondContact CB-OE2 3.43Å; P87-E89 PolarHBondContact O-N 3.47Å; P87-E89 VanDerWaalsContact O-N 3.09Å; E89-Q93 PolarHBondContact O-NE2 2.88Å |
| 90 | L | 84.2 | Confident | 92.3 | Very high | 53 Ų | 53 | 90.3 Ų | 90.3 | 28% | 0.277 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -98.6 | -22 | 179.3 | -69.5 | 157.9 | 0 | 0 | 0 | 112.3 | L86 P87 R88 G92 Q93 L95 A103 | L86-L90 HydrophobicContact CB-CB 4.39Å; P87-L90 HydrophobicContact CB-CD1 4.33Å; P87-L90 HydrophobicContact CG-CD1 4.2Å; P87-L90 WeakPolarHBondContact O-CA 3.5Å; P87-L90 WeakPolarHBondContact O-CB 3.47Å; P87-L90 PolarHBondContact O-N 3.23Å; R88-L90 PolarHBondContact O-N 3.07Å; L90-G92 VanDerWaalsContact C-N 3.25Å; L90-G92 PolarHBondContact O-N 3.1Å; L90-Q93 PolarHBondContact O-N 3.47Å; L90-Q93 VanDerWaalsContact O-N 3.09Å; L90-L95 HydrophobicContact CB-CD1 4.46Å; L90-L95 HydrophobicContact CD2-CD2 4.35Å; L90-A103 HydrophobicContact CD1-CB 4.4Å |
| 91 | A | 76.8 | Confident | 92.5 | Very high | 56 Ų | 56 | 91.7 Ų | 91.7 | 46% | 0.463 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.2 | -28.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | P87 R88 | P87-A91 PolarHBondContact O-N 3.5Å; P87-A91 VanDerWaalsContact O-N 3.08Å; R88-A91 PolarHBondContact O-N 3.09Å |
| 92 | G | 76.1 | Confident | 92.5 | Very high | 77 Ų | 77 | 93.8 Ų | 93.8 | 79% | 0.794 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -9.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L90 | L90-G92 VanDerWaalsContact C-N 3.25Å; L90-G92 PolarHBondContact O-N 3.1Å |
| 93 | Q | 86.6 | Confident | 92.5 | Very high | 109 Ų | 109 | 92 Ų | 92 | 51% | 0.509 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -93.6 | 143.3 | -174.1 | -60 | -176.8 | 34.7 | 0 | 0 | 111.7 | E89 L90 L95 | E89-Q93 PolarHBondContact O-NE2 2.88Å; L90-Q93 PolarHBondContact O-N 3.47Å; L90-Q93 VanDerWaalsContact O-N 3.09Å; Q93-L95 HydrophobicContact CB-CD2 4.14Å; Q93-L95 HydrophobicContact CB-CG 4.36Å; Q93-L95 PolarHBondContact O-N 3.08Å |
| 94 | R | 89.9 | Confident | 92.6 | Very high | 247 Ų | 247 | 89 Ų | 89 | 93% | 0.932 | 44% | 0.439 | S | S | * | . | trans | -79.9 | 70 | 174.2 | -67.4 | -177.6 | 68 | -168.4 | 1.7 | 111 | ||||
| 95 | L | 94 | Very high | 92.8 | Very high | 17 Ų | 17 | 86.2 Ų | 86.2 | 9% | 0.089 | 43% | 0.428 | C | S | . | . | trans | -61.2 | 145 | 179 | -58.6 | 176.1 | 0 | 0 | 0 | 111.4 | R83 L86 L90 Q93 E99 | R83-L95 PolarHBondContact NH2-O 2.94Å; L86-L95 HydrophobicContact CD1-CD1 3.6Å; L90-L95 HydrophobicContact CB-CD1 4.46Å; L90-L95 HydrophobicContact CD2-CD2 4.35Å; Q93-L95 HydrophobicContact CB-CD2 4.14Å; Q93-L95 HydrophobicContact CB-CG 4.36Å; Q93-L95 PolarHBondContact O-N 3.08Å; L95-E99 HydrophobicContact CB-CB 4.22Å; L95-E99 HydrophobicContact CD2-CB 4.29Å | ||
| 96 | S | 96.8 | Very high | 92.9 | Very high | 53 Ų | 53 | 83.5 Ų | 83.5 | 37% | 0.371 | 42% | 0.424 | S | S | . | . | trans | -73.3 | 172.3 | 165.4 | 69.3 | 0 | 0 | 0 | 0 | 111.1 | E99 T100 | S96-E99 WeakPolarHBondContact CA-OE2 3.45Å; S96-E99 WeakPolarHBondContact CB-OE2 3.4Å; S96-E99 PolarHBondContact N-OE2 3.38Å; S96-E99 PolarHBondContact O-N 3.3Å; S96-E99 WeakPolarHBondContact OG-CB 3.36Å; S96-E99 VanDerWaalsContact OG-CG 3.23Å; S96-E99 WeakPolarHBondContact OG-CG 3.49Å; S96-E99 PolarHBondContact OG-N 3.18Å; S96-E99 PolarHBondContact OG-OE2 2.94Å; S96-T100 WeakPolarHBondContact O-CB 3.32Å; S96-T100 PolarHBondContact O-N 3.27Å; S96-T100 PolarHBondContact O-OG1 2.95Å | ||
| 97 | K | 97.1 | Very high | 92.9 | Very high | 102 Ų | 102 | 86.5 Ų | 86.5 | 44% | 0.443 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.8 | -48.4 | 176.7 | -71.1 | -175 | 176.3 | -177 | 0 | 111.3 | N76 Y79 E99 T100 L101 | N76-K97 PolarHBondContact OD1-NZ 3.28Å; Y79-K97 HydrophobicContact CD1-CB 4.45Å; Y79-K97 HydrophobicContact CD1-CG 4.26Å; Y79-K97 HydrophobicContact CD2-CG 4.5Å; Y79-K97 HydrophobicContact CE1-CB 3.76Å; Y79-K97 HydrophobicContact CE1-CG 3.93Å; Y79-K97 HydrophobicContact CE2-CD 4.1Å; Y79-K97 HydrophobicContact CE2-CG 4.21Å; K97-E99 PolarHBondContact O-N 3.42Å; K97-T100 PolarHBondContact O-N 2.92Å; K97-L101 WeakPolarHBondContact O-CG 3.31Å; K97-L101 PolarHBondContact O-N 3.44Å; K97-L101 VanDerWaalsContact O-N 3.07Å |
| 98 | V | 98.2 | Very high | 93.1 | Very high | 79 Ų | 79 | 89.7 Ų | 89.7 | 48% | 0.479 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | -179.2 | 176.2 | 0 | 0 | 0 | 0 | 111 | T100 L101 R102 | V98-T100 VanDerWaalsContact C-N 3.35Å; V98-T100 PolarHBondContact O-N 3.32Å; V98-L101 PolarHBondContact O-N 3.06Å; V98-R102 HydrophobicContact CG1-CG 4.42Å; V98-R102 WeakPolarHBondContact O-CG 3.34Å; V98-R102 PolarHBondContact O-N 3.11Å |
| 99 | E | 97.1 | Very high | 93.6 | Very high | 94 Ų | 94 | 86.3 Ų | 86.3 | 44% | 0.439 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 176.7 | -70.8 | 163.4 | 146.1 | 0 | 0 | 111.9 | L95 S96 K97 L101 R102 A103 | L95-E99 HydrophobicContact CB-CB 4.22Å; L95-E99 HydrophobicContact CD2-CB 4.29Å; S96-E99 WeakPolarHBondContact CA-OE2 3.45Å; S96-E99 WeakPolarHBondContact CB-OE2 3.4Å; S96-E99 PolarHBondContact N-OE2 3.38Å; S96-E99 PolarHBondContact O-N 3.3Å; S96-E99 WeakPolarHBondContact OG-CB 3.36Å; S96-E99 VanDerWaalsContact OG-CG 3.23Å; S96-E99 WeakPolarHBondContact OG-CG 3.49Å; S96-E99 PolarHBondContact OG-N 3.18Å; S96-E99 PolarHBondContact OG-OE2 2.94Å; K97-E99 PolarHBondContact O-N 3.42Å; E99-L101 VanDerWaalsContact C-N 3.3Å; E99-L101 PolarHBondContact O-N 2.97Å; E99-R102 PolarHBondContact O-N 3.2Å; E99-A103 VanDerWaalsContact O-CB 3.32Å; E99-A103 WeakPolarHBondContact O-CB 3.32Å; E99-A103 PolarHBondContact O-N 3.28Å |
| 100 | T | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 84.1 Ų | 84.1 | 0% | 0 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -58.2 | -44.2 | 176 | -52.9 | 0 | 0 | 0 | 0 | 110.6 | Y79 L82 R83 L86 S96 K97 V98 A104 | Y79-T100 HydrophobicContact CD1-CG2 3.99Å; L82-T100 HydrophobicContact CB-CG2 4.41Å; L82-T100 HydrophobicContact CD2-CG2 3.83Å; L82-T100 HydrophobicContact CG-CG2 3.99Å; R83-T100 HydrophobicContact CG-CG2 3.69Å; R83-T100 PolarHBondContact NE-OG1 3.44Å; R83-T100 VanDerWaalsContact NE-OG1 3.09Å; R83-T100 PolarHBondContact NH2-OG1 3.31Å; L86-T100 HydrophobicContact CD1-CG2 4.29Å; S96-T100 WeakPolarHBondContact O-CB 3.32Å; S96-T100 PolarHBondContact O-N 3.27Å; S96-T100 PolarHBondContact O-OG1 2.95Å; K97-T100 PolarHBondContact O-N 2.92Å; V98-T100 VanDerWaalsContact C-N 3.35Å; V98-T100 PolarHBondContact O-N 3.32Å; T100-A104 WeakPolarHBondContact O-CB 3.44Å; T100-A104 PolarHBondContact O-N 2.98Å |
| 101 | L | 98.5 | Very high | 94.7 | Very high | 78 Ų | 78 | 85 Ų | 85 | 41% | 0.408 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.1 | -44.3 | 178.5 | -65 | 179.1 | 0 | 0 | 0 | 112.3 | Y79 L82 K97 V98 E99 A103 A104 I105 | Y79-L101 HydrophobicContact CE1-CD2 4.05Å; Y79-L101 HydrophobicContact CE1-CG 4.06Å; L82-L101 HydrophobicContact CD2-CD2 4.28Å; K97-L101 WeakPolarHBondContact O-CG 3.31Å; K97-L101 PolarHBondContact O-N 3.44Å; K97-L101 VanDerWaalsContact O-N 3.07Å; V98-L101 PolarHBondContact O-N 3.06Å; E99-L101 VanDerWaalsContact C-N 3.3Å; E99-L101 PolarHBondContact O-N 2.97Å; L101-A103 PolarHBondContact O-N 3.41Å; L101-A104 PolarHBondContact O-N 3.42Å; L101-I105 WeakPolarHBondContact O-CG1 3.36Å; L101-I105 PolarHBondContact O-N 3.32Å |
| 102 | R | 98.1 | Very high | 95.7 | Very high | 178 Ų | 178 | 87.4 Ų | 87.4 | 67% | 0.672 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -61.1 | -45.1 | 177.8 | -72.5 | 176.8 | 179.7 | 173.4 | 0.2 | 111.5 | V98 E99 I105 S106 | V98-R102 HydrophobicContact CG1-CG 4.42Å; V98-R102 WeakPolarHBondContact O-CG 3.34Å; V98-R102 PolarHBondContact O-N 3.11Å; E99-R102 PolarHBondContact O-N 3.2Å; R102-I105 PolarHBondContact O-N 3.46Å; R102-S106 WeakPolarHBondContact O-CB 3.49Å; R102-S106 PolarHBondContact O-N 2.99Å |
| 103 | A | 97.3 | Very high | 96.7 | Very high | 17 Ų | 17 | 89.6 Ų | 89.6 | 14% | 0.14 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | L86 L90 E99 L101 S106 Y107 | L86-A103 HydrophobicContact CD1-CB 3.89Å; L86-A103 HydrophobicContact CD2-CB 4.01Å; L90-A103 HydrophobicContact CD1-CB 4.4Å; E99-A103 VanDerWaalsContact O-CB 3.32Å; E99-A103 WeakPolarHBondContact O-CB 3.32Å; E99-A103 PolarHBondContact O-N 3.28Å; L101-A103 PolarHBondContact O-N 3.41Å; A103-S106 PolarHBondContact O-N 2.88Å; A103-Y107 WeakPolarHBondContact O-CB 3.34Å; A103-Y107 PolarHBondContact O-N 3.34Å |
| 104 | A | 98.3 | Very high | 97.2 | Very high | 13 Ų | 13 | 89 Ų | 89 | 11% | 0.107 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.4 | -46 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L82 L86 T100 L101 S106 Y107 I108 | L82-A104 HydrophobicContact CD1-CB 3.95Å; L82-A104 HydrophobicContact CD2-CB 4.18Å; L82-A104 HydrophobicContact CG-CB 4.33Å; L86-A104 HydrophobicContact CD2-CB 4.1Å; T100-A104 WeakPolarHBondContact O-CB 3.44Å; T100-A104 PolarHBondContact O-N 2.98Å; L101-A104 PolarHBondContact O-N 3.42Å; A104-S106 PolarHBondContact O-N 3.03Å; A104-Y107 PolarHBondContact O-N 3.22Å; A104-I108 WeakPolarHBondContact O-CG1 3.2Å; A104-I108 PolarHBondContact O-N 3.5Å |
| 105 | I | 98.5 | Very high | 97.5 | Very high | 91 Ų | 91 | 82.6 Ų | 82.6 | 47% | 0.467 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 177.3 | -66.5 | 163.6 | 0 | 0 | 0 | 110.6 | L101 R102 Y107 I108 R109 | L101-I105 WeakPolarHBondContact O-CG1 3.36Å; L101-I105 PolarHBondContact O-N 3.32Å; R102-I105 PolarHBondContact O-N 3.46Å; I105-Y107 VanDerWaalsContact C-N 3.29Å; I105-Y107 PolarHBondContact O-N 3.22Å; I105-I108 PolarHBondContact O-N 3Å; I105-R109 WeakPolarHBondContact O-CG 3.45Å; I105-R109 PolarHBondContact O-N 3.27Å |
| 106 | S | 97.9 | Very high | 97.6 | Very high | 78 Ų | 78 | 86.3 Ų | 86.3 | 55% | 0.545 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 178.3 | -167.5 | 0 | 0 | 0 | 0 | 111.7 | R102 A103 A104 R109 H110 | R102-S106 WeakPolarHBondContact O-CB 3.49Å; R102-S106 PolarHBondContact O-N 2.99Å; A103-S106 PolarHBondContact O-N 2.88Å; A104-S106 PolarHBondContact O-N 3.03Å; S106-R109 PolarHBondContact O-N 3.41Å; S106-H110 PolarHBondContact O-N 3.48Å |
| 107 | Y | 97.9 | Very high | 97.5 | Very high | 75 Ų | 75 | 91.9 Ų | 91.9 | 29% | 0.294 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -70.7 | -39.9 | -177.6 | -171.8 | -133.4 | 0 | 0 | 0 | 112.3 | H85 P87 A103 A104 I105 R109 H110 L111 | H85-Y107 WeakPolarHBondContact O-CE1 3.38Å; P87-Y107 HydrophobicContact CG-CD1 4.41Å; P87-Y107 HydrophobicContact CG-CD2 3.51Å; P87-Y107 HydrophobicContact CG-CE2 3.65Å; P87-Y107 HydrophobicContact CG-CG 3.93Å; A103-Y107 WeakPolarHBondContact O-CB 3.34Å; A103-Y107 PolarHBondContact O-N 3.34Å; A104-Y107 PolarHBondContact O-N 3.22Å; I105-Y107 VanDerWaalsContact C-N 3.29Å; I105-Y107 PolarHBondContact O-N 3.22Å; Y107-R109 VanDerWaalsContact C-N 3.32Å; Y107-R109 PolarHBondContact O-N 3.16Å; Y107-H110 PolarHBondContact O-N 2.95Å; Y107-L111 HydrophobicContact CD1-CD1 4.1Å; Y107-L111 HydrophobicContact CD2-CG 4.28Å; Y107-L111 HydrophobicContact CE1-CD1 3.8Å; Y107-L111 HydrophobicContact CE1-CG 4.44Å; Y107-L111 HydrophobicContact CE2-CD1 4.25Å; Y107-L111 HydrophobicContact CE2-CD2 3.95Å; Y107-L111 HydrophobicContact CE2-CG 4Å; Y107-L111 HydrophobicContact CG-CD1 4.47Å; Y107-L111 WeakPolarHBondContact O-CG 3.45Å; Y107-L111 PolarHBondContact O-N 3.39Å |
| 108 | I | 98.4 | Very high | 97.3 | Very high | 95 Ų | 95 | 92.5 Ų | 92.5 | 49% | 0.487 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -57.5 | -46.7 | 173.3 | -67.9 | 164.6 | 0 | 0 | 0 | 110.6 | A104 I105 H110 L111 Q112 | A104-I108 WeakPolarHBondContact O-CG1 3.2Å; A104-I108 PolarHBondContact O-N 3.5Å; I105-I108 PolarHBondContact O-N 3Å; I108-H110 PolarHBondContact O-N 3.44Å; I108-L111 PolarHBondContact O-N 3.39Å; I108-Q112 WeakPolarHBondContact O-CG 3.45Å; I108-Q112 PolarHBondContact O-N 3.4Å |
| 109 | R | 98.4 | Very high | 97 | Very high | 156 Ų | 156 | 97.7 Ų | 97.7 | 59% | 0.589 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60.4 | -45.9 | 178 | -70.5 | 176.6 | 177.5 | -179.1 | -2.5 | 112.1 | I105 S106 Y107 L111 Q112 E113 | I105-R109 WeakPolarHBondContact O-CG 3.45Å; I105-R109 PolarHBondContact O-N 3.27Å; S106-R109 PolarHBondContact O-N 3.41Å; Y107-R109 VanDerWaalsContact C-N 3.32Å; Y107-R109 PolarHBondContact O-N 3.16Å; R109-L111 VanDerWaalsContact C-N 3.33Å; R109-L111 PolarHBondContact O-N 2.98Å; R109-Q112 WeakPolarHBondContact O-CB 3.46Å; R109-Q112 PolarHBondContact O-N 3.31Å; R109-E113 WeakPolarHBondContact O-CG 3.34Å; R109-E113 PolarHBondContact O-N 3.49Å |
| 110 | H | 97.6 | Very high | 96.5 | Very high | 98 Ų | 98 | 101 Ų | 101 | 45% | 0.454 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.8 | -44.2 | 177.5 | 177.6 | 62.8 | 0 | 0 | 0 | 112.4 | S106 Y107 I108 Q112 E113 L114 | S106-H110 PolarHBondContact O-N 3.48Å; Y107-H110 PolarHBondContact O-N 2.95Å; I108-H110 PolarHBondContact O-N 3.44Å; H110-Q112 VanDerWaalsContact C-N 3.35Å; H110-Q112 PolarHBondContact O-N 3.46Å; H110-E113 PolarHBondContact O-N 3.19Å; H110-L114 WeakPolarHBondContact O-CB 3.46Å; H110-L114 PolarHBondContact O-N 3.49Å |
| 111 | L | 97.7 | Very high | 95.9 | Very high | 72 Ų | 72 | 105.2 Ų | 105.2 | 38% | 0.377 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65 | -38.2 | 177.4 | -67 | 175.2 | 0 | 0 | 0 | 112.1 | Y107 I108 R109 L114 L115 | Y107-L111 HydrophobicContact CD1-CD1 4.1Å; Y107-L111 HydrophobicContact CD2-CG 4.28Å; Y107-L111 HydrophobicContact CE1-CD1 3.8Å; Y107-L111 HydrophobicContact CE1-CG 4.44Å; Y107-L111 HydrophobicContact CE2-CD1 4.25Å; Y107-L111 HydrophobicContact CE2-CD2 3.95Å; Y107-L111 HydrophobicContact CE2-CG 4Å; Y107-L111 HydrophobicContact CG-CD1 4.47Å; Y107-L111 WeakPolarHBondContact O-CG 3.45Å; Y107-L111 PolarHBondContact O-N 3.39Å; I108-L111 PolarHBondContact O-N 3.39Å; R109-L111 VanDerWaalsContact C-N 3.33Å; R109-L111 PolarHBondContact O-N 2.98Å; L111-L114 PolarHBondContact O-N 3.37Å; L111-L115 VanDerWaalsContact O-CG 3.31Å; L111-L115 WeakPolarHBondContact O-CG 3.33Å; L111-L115 PolarHBondContact O-N 3.46Å; L111-L115 VanDerWaalsContact O-N 3.09Å |
| 112 | Q | 98.1 | Very high | 94.5 | Very high | 107 Ų | 107 | 104.8 Ų | 104.8 | 50% | 0.5 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 174.9 | -71.7 | 170.5 | -30.4 | 0 | 0 | 111.6 | I108 R109 H110 L114 L115 E116 | I108-Q112 WeakPolarHBondContact O-CG 3.45Å; I108-Q112 PolarHBondContact O-N 3.4Å; R109-Q112 WeakPolarHBondContact O-CB 3.46Å; R109-Q112 PolarHBondContact O-N 3.31Å; H110-Q112 VanDerWaalsContact C-N 3.35Å; H110-Q112 PolarHBondContact O-N 3.46Å; Q112-L114 VanDerWaalsContact C-N 3.34Å; Q112-L114 PolarHBondContact O-N 2.88Å; Q112-L115 PolarHBondContact O-N 3.01Å; Q112-E116 PolarHBondContact O-N 3.27Å |
| 113 | E | 97.3 | Very high | 92.8 | Very high | 123 Ų | 123 | 103.2 Ų | 103.2 | 58% | 0.575 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.6 | -41.9 | 177.2 | -72 | 169.8 | -167.2 | 0 | 0 | 112.3 | R109 H110 E116 R117 | R109-E113 WeakPolarHBondContact O-CG 3.34Å; R109-E113 PolarHBondContact O-N 3.49Å; H110-E113 PolarHBondContact O-N 3.19Å; E113-E116 PolarHBondContact O-N 3.02Å; E113-R117 WeakPolarHBondContact O-CB 3.29Å; E113-R117 PolarHBondContact O-N 2.89Å |
| 114 | L | 97 | Very high | 91.1 | Very high | 95 Ų | 95 | 106.9 Ų | 106.9 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 177.9 | -168.7 | 157.3 | 0 | 0 | 0 | 111.2 | H110 L111 Q112 R117 H118 | H110-L114 WeakPolarHBondContact O-CB 3.46Å; H110-L114 PolarHBondContact O-N 3.49Å; L111-L114 PolarHBondContact O-N 3.37Å; Q112-L114 VanDerWaalsContact C-N 3.34Å; Q112-L114 PolarHBondContact O-N 2.88Å; L114-R117 PolarHBondContact O-N 3.45Å; L114-H118 WeakPolarHBondContact O-CB 3.48Å; L114-H118 PolarHBondContact O-N 2.96Å |
| 115 | L | 96.4 | Very high | 89.2 | Confident | 114 Ų | 114 | 113.1 Ų | 113.1 | 60% | 0.597 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.8 | -41.1 | 177.2 | -69.9 | 173.3 | 0 | 0 | 0 | 112.3 | L111 Q112 H118 R119 | L111-L115 VanDerWaalsContact O-CG 3.31Å; L111-L115 WeakPolarHBondContact O-CG 3.33Å; L111-L115 PolarHBondContact O-N 3.46Å; L111-L115 VanDerWaalsContact O-N 3.09Å; Q112-L115 PolarHBondContact O-N 3.01Å; L115-H118 PolarHBondContact O-N 3.29Å; L115-R119 VanDerWaalsContact O-CG 3.29Å; L115-R119 WeakPolarHBondContact O-CG 3.39Å; L115-R119 PolarHBondContact O-N 3Å; L115-R119 VanDerWaalsContact O-N 3.07Å |
| 116 | E | 95.5 | Very high | 87.3 | Confident | 95 Ų | 95 | 112.3 Ų | 112.3 | 44% | 0.444 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.9 | -44.2 | 175.9 | -78.6 | -176.4 | -151.7 | 0 | 0 | 112.3 | Q112 E113 R119 R120 | Q112-E116 PolarHBondContact O-N 3.27Å; E113-E116 PolarHBondContact O-N 3.02Å; E116-R119 PolarHBondContact O-N 3.09Å; E116-R120 WeakPolarHBondContact O-CG 3.44Å; E116-R120 PolarHBondContact O-N 3.47Å; E116-R120 VanDerWaalsContact O-N 3.12Å; E116-R120 IonicContact OE2-CZ 3.76Å; E116-R120 IonicContact OE2-NH1 3.9Å; E116-R120 IonicContact OE2-NH2 2.88Å; E116-R120 PolarHBondContact OE2-NH2 3.48Å |
| 117 | R | 94.2 | Very high | 85.3 | Confident | 169 Ų | 169 | 117.5 Ų | 117.5 | 64% | 0.638 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.8 | -47.8 | 176.9 | 179 | 175.5 | 172.1 | -179.2 | 0.8 | 111.1 | E113 L114 R119 R120 D121 | E113-R117 WeakPolarHBondContact O-CB 3.29Å; E113-R117 PolarHBondContact O-N 2.89Å; L114-R117 PolarHBondContact O-N 3.45Å; R117-R119 VanDerWaalsContact C-N 3.25Å; R117-R119 PolarHBondContact O-N 2.93Å; R117-R120 WeakPolarHBondContact O-CB 3.47Å; R117-R120 PolarHBondContact O-N 3.07Å; R117-D121 WeakPolarHBondContact CG-OD2 3.38Å; R117-D121 IonicContact NE-OD2 3.52Å; R117-D121 VanDerWaalsContact O-CG 3.3Å; R117-D121 PolarHBondContact O-N 3.36Å |
| 118 | H | 93.3 | Very high | 83.4 | Confident | 116 Ų | 116 | 119.3 Ų | 119.3 | 54% | 0.537 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -57.7 | -38.4 | 177 | -175.3 | -79.9 | 0 | 0 | 0 | 112.3 | L114 L115 R120 D121 C122 | L114-H118 WeakPolarHBondContact O-CB 3.48Å; L114-H118 PolarHBondContact O-N 2.96Å; L115-H118 PolarHBondContact O-N 3.29Å; H118-R120 VanDerWaalsContact C-N 3.33Å; H118-R120 PolarHBondContact O-N 3.34Å; H118-D121 PolarHBondContact O-N 3.47Å; H118-C122 PolarHBondContact CE1-SG 3.01Å; H118-C122 WeakPolarHBondContact O-CB 3.49Å; H118-C122 PolarHBondContact O-N 3.29Å; H118-C122 PolarHBondContact O-SG 3.32Å |
| 119 | R | 91.5 | Very high | 81.3 | Confident | 188 Ų | 188 | 125 Ų | 125 | 71% | 0.709 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.7 | -33.8 | 175.4 | -70.6 | 173.5 | 73.1 | 160.6 | 5.4 | 113.1 | L115 E116 R117 N123 | L115-R119 VanDerWaalsContact O-CG 3.29Å; L115-R119 WeakPolarHBondContact O-CG 3.39Å; L115-R119 PolarHBondContact O-N 3Å; L115-R119 VanDerWaalsContact O-N 3.07Å; E116-R119 PolarHBondContact O-N 3.09Å; R117-R119 VanDerWaalsContact C-N 3.25Å; R117-R119 PolarHBondContact O-N 2.93Å; R119-N123 WeakPolarHBondContact O-CB 3.31Å; R119-N123 PolarHBondContact O-N 3.3Å; R119-N123 PolarHBondContact O-OD1 3.43Å |
| 120 | R | 88.1 | Confident | 79 | Confident | 163 Ų | 163 | 121.9 Ų | 121.9 | 62% | 0.615 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -73.4 | -43.8 | 175.9 | -66.4 | 174.9 | -172.2 | 128.9 | 11.7 | 111 | E116 R117 H118 N123 | E116-R120 WeakPolarHBondContact O-CG 3.44Å; E116-R120 PolarHBondContact O-N 3.47Å; E116-R120 VanDerWaalsContact O-N 3.12Å; E116-R120 IonicContact OE2-CZ 3.76Å; E116-R120 IonicContact OE2-NH1 3.9Å; E116-R120 IonicContact OE2-NH2 2.88Å; E116-R120 PolarHBondContact OE2-NH2 3.48Å; R117-R120 WeakPolarHBondContact O-CB 3.47Å; R117-R120 PolarHBondContact O-N 3.07Å; H118-R120 VanDerWaalsContact C-N 3.33Å; H118-R120 PolarHBondContact O-N 3.34Å; R120-N123 PolarHBondContact O-N 3.12Å |
| 121 | D | 83.4 | Confident | 77.1 | Confident | 88 Ų | 88 | 122.9 Ų | 122.9 | 47% | 0.471 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -65.1 | -42.8 | -178.8 | -63.6 | -19.7 | 0 | 0 | 0 | 111 | R117 H118 N123 S124 | R117-D121 WeakPolarHBondContact CG-OD2 3.38Å; R117-D121 IonicContact NE-OD2 3.52Å; R117-D121 VanDerWaalsContact O-CG 3.3Å; R117-D121 PolarHBondContact O-N 3.36Å; H118-D121 PolarHBondContact O-N 3.47Å; D121-N123 PolarHBondContact O-N 3.45Å; D121-S124 WeakPolarHBondContact O-CB 3.47Å; D121-S124 PolarHBondContact O-N 3.27Å |
| 122 | C | 69.7 | Low | 75.2 | Confident | 70 Ų | 70 | 124.9 Ų | 124.9 | 47% | 0.473 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -73.2 | -19.9 | 177.6 | -64.7 | 0 | 0 | 0 | 0 | 115.2 | H118 S124 | H118-C122 PolarHBondContact CE1-SG 3.01Å; H118-C122 WeakPolarHBondContact O-CB 3.49Å; H118-C122 PolarHBondContact O-N 3.29Å; H118-C122 PolarHBondContact O-SG 3.32Å; C122-S124 VanDerWaalsContact C-N 3.27Å |
| 123 | N | 63.3 | Low | 73 | Confident | 144 Ų | 144 | 123.7 Ų | 123.7 | 77% | 0.77 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -81.1 | -8.7 | 175.3 | -88.3 | 29 | 0 | 0 | 0 | 112.5 | R119 R120 D121 | R119-N123 WeakPolarHBondContact O-CB 3.31Å; R119-N123 PolarHBondContact O-N 3.3Å; R119-N123 PolarHBondContact O-OD1 3.43Å; R120-N123 PolarHBondContact O-N 3.12Å; D121-N123 PolarHBondContact O-N 3.45Å |
| 124 | S | 60.4 | Low | 71.1 | Confident | 95 Ų | 95 | 122.3 Ų | 122.3 | 66% | 0.664 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -83 | -14.7 | -177.3 | -175.6 | 0 | 0 | 0 | 0 | 114.1 | D121 C122 | D121-S124 WeakPolarHBondContact O-CB 3.47Å; D121-S124 PolarHBondContact O-N 3.27Å; C122-S124 VanDerWaalsContact C-N 3.27Å |
| 125 | D | 59.5 | Low | 69.3 | Low | 144 Ų | 144 | 123.3 Ų | 123.3 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -94.4 | 3.8 | -173.4 | -63.2 | -45 | 0 | 0 | 0 | 113.9 | ||
| 126 | G | 56.8 | Low | 68 | Low | 73 Ų | 73 | 123.7 Ų | 123.7 | 75% | 0.753 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -108 | -0.7 | -170 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 127 | E | 56.5 | Low | 65.3 | Low | 188 Ų | 188 | 125 Ų | 125 | 88% | 0.879 | 73% | 0.734 | S | S | * | * | trans | -119.5 | 66.9 | -176.3 | -146.6 | 176.4 | 117.1 | 0 | 0 | 111.5 | ||||
| 128 | S | 58.6 | Low | 63.4 | Low | 113 Ų | 113 | 122 Ų | 122 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -150.2 | 107.2 | 161.1 | -80.3 | 0 | 0 | 0 | 0 | 109.9 | ||
| 129 | K | 54.7 | Low | 61.7 | Low | 213 Ų | 213 | 125.3 Ų | 125.3 | 93% | 0.926 | 76% | 0.755 | S | S | * | * | trans | 75.7 | 124.3 | 175.9 | -53.1 | -158.4 | 175.2 | -172 | 0 | 114.7 | ||||
| 130 | A | 49.9 | Very low | 60.7 | Low | 91 Ų | 91 | 121.1 Ų | 121.1 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | cis | -143.1 | 114.6 | 35.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 131 | S | 56.7 | Low | 59.4 | Low | 120 Ų | 120 | 122.9 Ų | 122.9 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | trans | -74.5 | 112.1 | 140.5 | 61.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 132 | S | 58 | Low | 58.6 | Low | 114 Ų | 114 | 127 Ų | 127 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | 170.3 | 117 | 144.6 | 45.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 133 | G | 52.2 | Low | 58.3 | Low | 81 Ų | 81 | 135.5 Ų | 135.5 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | 139 | 74.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 134 | A | 57.7 | Low | 57.9 | Low | 95 Ų | 95 | 135.6 Ų | 135.6 | 79% | 0.785 | 84% | 0.842 | S | S | * | * | trans | -59.3 | 145.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 135 | S | 59.1 | Low | 57.8 | Low | 116 Ų | 116 | 137.7 Ų | 137.7 | 81% | 0.811 | 85% | 0.851 | S | S | * | * | -177.6 | 130.7 | 128.4 | -82.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 136 | P | 68.8 | Low | 57.7 | Low | 122 Ų | 122 | 137.3 Ų | 137.3 | 79% | 0.792 | 86% | 0.855 | S | S | * | * | trans | -94.1 | 133.2 | 171.8 | 34.9 | -26.3 | 0 | 0 | 0 | 110.5 | ||||
| 137 | C | 39 | Very low | 57.8 | Low | 121 Ų | 121 | 140.9 Ų | 140.9 | 82% | 0.818 | 86% | 0.861 | S | S | * | * | trans | -145.3 | 103.9 | 169.1 | -85.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 138 | S | 53.3 | Low | 57.9 | Low | 107 Ų | 107 | 138.1 Ų | 138.1 | 75% | 0.748 | 86% | 0.86 | S | S | * | * | 49.3 | 108.7 | 128 | -49.2 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 139 | E | 58 | Low | 57.8 | Low | 185 Ų | 185 | 139.7 Ų | 139.7 | 86% | 0.864 | 86% | 0.864 | S | S | * | * | 67.4 | 161.9 | 114.1 | -76.2 | -96.3 | 102.6 | 0 | 0 | 121.2 | |||||
| 140 | P | 71.9 | Confident | 58 | Low | 101 Ų | 101 | 134.8 Ų | 134.8 | 66% | 0.656 | 86% | 0.86 | S | S | * | * | trans | -105.2 | 168.5 | -139.5 | 41.2 | -36.3 | 0 | 0 | 0 | 114.6 | ||||
| 141 | E | 60.9 | Low | 58.6 | Low | 200 Ų | 200 | 137.9 Ų | 137.9 | 94% | 0.935 | 87% | 0.868 | S | S | * | * | trans | -134.9 | 130.7 | 157.7 | -80 | -152.2 | 106.6 | 0 | 0 | 113.1 | ||||
| 142 | E | 66.6 | Low | 58.8 | Low | 175 Ų | 175 | 139.3 Ų | 139.3 | 82% | 0.818 | 87% | 0.87 | S | S | * | * | trans | -117.4 | 124 | 177.9 | -145.6 | -82.8 | 138.1 | 0 | 0 | 105.9 | ||||
| 143 | R | 61.4 | Low | 58.8 | Low | 247 Ų | 247 | 141.4 Ų | 141.4 | 93% | 0.932 | 88% | 0.876 | S | S | * | * | trans | 170.4 | 135.7 | 162.8 | -108.9 | 173.3 | -178 | -93.8 | -2 | 107.4 | ||||
| 144 | G | 56.9 | Low | 59.4 | Low | 147 Ų | 147 | 146.9 Ų | 146.9 | 100% | 1.515 | 88% | 0.88 | S | S | * | * | cis | 173.2 | 0 | 3.3 | 0 | 0 | 0 | 0 | 0 | 106.9 |
Retrieved 144 of 144 residues in 122.2 ms
(Link to these results)