| 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 | 44 | Very low | 43.4 | Very low | 251 Ų | 251 | 143.2 Ų | 143.2 | 100% | 1.236 | 83% | 0.833 | S | S | * | * | 0 | 108.4 | 0 | -70.2 | -112.1 | -137.2 | 0 | 0 | 108.1 | |||||
| 2 | A | 37 | Very low | 42.9 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 84% | 0.843 | 83% | 0.833 | S | S | * | * | trans | 176.6 | 122.4 | 148.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 3 | A | 42.8 | Very low | 42.6 | Very low | 96 Ų | 96 | 154.2 Ų | 154.2 | 79% | 0.793 | 84% | 0.841 | S | S | * | * | trans | -74.6 | 147.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 4 | I | 47.8 | Very low | 42.3 | Very low | 164 Ų | 164 | 148.5 Ų | 148.5 | 84% | 0.841 | 84% | 0.836 | S | S | * | * | trans | -108 | 113.6 | 163.4 | -63.5 | 176.3 | 0 | 0 | 0 | 107.8 | ||||
| 5 | V | 40.8 | Very low | 42 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 75% | 0.745 | 84% | 0.836 | S | S | * | * | trans | -64.7 | 125.7 | 171 | 170.7 | 0 | 0 | 0 | 0 | 108.9 | I7 | V5-I7 HydrophobicContact CG1-CG1 4.34Š| ||
| 6 | R | 45.1 | Very low | 41.8 | Very low | 225 Ų | 225 | 147.4 Ų | 147.4 | 85% | 0.849 | 84% | 0.837 | S | S | * | * | trans | -100.8 | 113.5 | 170.2 | -114.6 | -171.8 | -179.9 | -158.6 | 1.4 | 109 | ||||
| 7 | I | 47.3 | Very low | 41.7 | Very low | 161 Ų | 161 | 147.3 Ų | 147.3 | 83% | 0.826 | 83% | 0.833 | S | S | * | * | trans | -84.3 | 115.5 | 166.7 | -61.6 | 171.7 | 0 | 0 | 0 | 106.7 | V5 | V5-I7 HydrophobicContact CG1-CG1 4.34Š| ||
| 8 | S | 41.4 | Very low | 42 | Very low | 95 Ų | 95 | 147 Ų | 147 | 66% | 0.664 | 83% | 0.828 | S | S | * | * | trans | -103.8 | 117.4 | 172.4 | -63.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 9 | S | 45 | Very low | 42 | Very low | 113 Ų | 113 | 150.8 Ų | 150.8 | 79% | 0.79 | 84% | 0.835 | S | S | * | * | trans | -72 | 126.4 | 171.6 | 175.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 10 | V | 46.7 | Very low | 41.7 | Very low | 116 Ų | 116 | 152.7 Ų | 152.7 | 70% | 0.703 | 83% | 0.83 | S | S | * | * | trans | -94.7 | 113.5 | 176 | 173.3 | 0 | 0 | 0 | 0 | 108.5 | H12 | V10-H12 HydrophobicContact CG1-CB 4.34Š| ||
| 11 | C | 39.7 | Very low | 41.5 | Very low | 129 Ų | 129 | 155 Ų | 155 | 87% | 0.872 | 83% | 0.827 | S | S | * | * | trans | -104.9 | 93.4 | 161.1 | -87.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 12 | H | 37.4 | Very low | 41.2 | Very low | 179 Ų | 179 | 147.4 Ų | 147.4 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | trans | -91.2 | 118.6 | 165.6 | -111.8 | -63.2 | 0 | 0 | 0 | 108.6 | V10 | V10-H12 HydrophobicContact CG1-CB 4.34Š| ||
| 13 | R | 39.5 | Very low | 41.4 | Very low | 250 Ų | 250 | 147.5 Ų | 147.5 | 94% | 0.943 | 79% | 0.793 | S | S | * | * | trans | -135.5 | 104.2 | 158.8 | -163.4 | 174 | -108.5 | -162.8 | -3.3 | 108.8 | ||||
| 14 | G | 38 | Very low | 41.5 | Very low | 75 Ų | 75 | 150.4 Ų | 150.4 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -83.7 | 158.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 15 | G | 37.6 | Very low | 41.5 | Very low | 80 Ų | 80 | 150.3 Ų | 150.3 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -149.7 | 113.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 16 | K | 38.7 | Very low | 41.7 | Very low | 199 Ų | 199 | 148.8 Ų | 148.8 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | trans | -75.2 | 158.6 | 166.2 | -64.9 | 174.7 | 177.4 | 178.9 | 0 | 107.6 | ||||
| 17 | L | 39.9 | Very low | 41.9 | Very low | 146 Ų | 146 | 150.1 Ų | 150.1 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | 175.1 | 153.5 | 58.4 | -166.5 | 83.7 | 0 | 0 | 0 | 107 | |||||
| 18 | L | 46.6 | Very low | 42 | Very low | 142 Ų | 142 | 148.1 Ų | 148.1 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | 143.9 | 108.7 | 141.3 | -77.9 | 169.8 | 0 | 0 | 0 | 108.8 | ||||
| 19 | F | 43.4 | Very low | 42.1 | Very low | 220 Ų | 220 | 151.2 Ų | 151.2 | 97% | 0.965 | 81% | 0.806 | S | S | * | * | -167.1 | 148.7 | 123.2 | -90.2 | -65 | 0 | 0 | 0 | 109 | |||||
| 20 | Y | 36.4 | Very low | 42.2 | Very low | 188 Ų | 188 | 152.2 Ų | 152.2 | 74% | 0.737 | 81% | 0.807 | S | S | * | * | trans | -110.8 | 160.6 | -159.1 | 156.1 | -98.9 | 0 | 0 | 0 | 110.3 | ||||
| 21 | R | 37.5 | Very low | 42 | Very low | 202 Ų | 202 | 152.6 Ų | 152.6 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | 77.8 | 149.8 | 175 | -88.3 | 169.8 | 172.9 | -136.3 | 1.2 | 117.9 | ||||
| 22 | S | 36.6 | Very low | 42.3 | Very low | 91 Ų | 91 | 154.5 Ų | 154.5 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | cis | -176.7 | 136.9 | -31.9 | -102 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 23 | S | 41.3 | Very low | 42.4 | Very low | 104 Ų | 104 | 154.3 Ų | 154.3 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | 59.2 | 120.5 | 150.5 | 38.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 24 | L | 45.1 | Very low | 42.1 | Very low | 156 Ų | 156 | 150.7 Ų | 150.7 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | 93.7 | 129.6 | 129.4 | -66.4 | 172.4 | 0 | 0 | 0 | 121.6 | |||||
| 25 | L | 47.1 | Very low | 42.6 | Very low | 162 Ų | 162 | 154 Ų | 154 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | 68.3 | 104 | 148.9 | -66.4 | 165.9 | 0 | 0 | 0 | 118.6 | ||||
| 26 | A | 44.5 | Very low | 42.7 | Very low | 92 Ų | 92 | 158.5 Ų | 158.5 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | 165.1 | 123.1 | 105.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | P28 | A26-P28 WeakPolarHBondContact O-CD 3.29Š| |||
| 27 | R | 49.8 | Very low | 43 | Very low | 253 Ų | 253 | 156.2 Ų | 156.2 | 96% | 0.955 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 120 | 162.1 | -92.8 | -176.5 | 164.5 | -154.4 | -2.4 | 107.8 | ||
| 28 | P | 49.6 | Very low | 43 | Very low | 118 Ų | 118 | 159.4 Ų | 159.4 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 137.7 | 154.6 | 10.5 | 9.7 | 0 | 0 | 0 | 109 | A26 | A26-P28 WeakPolarHBondContact O-CD 3.29Š|
| 29 | L | 44.4 | Very low | 42.9 | Very low | 161 Ų | 161 | 157.2 Ų | 157.2 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 143.2 | 172.5 | -120.4 | 110.4 | 0 | 0 | 0 | 111.6 | T31 | L29-T31 PolarHBondContact O-N 3.06Å; L29-T31 VanDerWaalsContact O-N 3.15Å |
| 30 | V | 46.8 | Very low | 43.5 | Very low | 133 Ų | 133 | 157.1 Ų | 157.1 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | trans | -52.9 | 113.8 | 163.8 | 170.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 31 | T | 43.2 | Very low | 44.4 | Very low | 124 Ų | 124 | 155.3 Ų | 155.3 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | trans | -106.3 | 112.5 | 157.2 | 46.9 | 0 | 0 | 0 | 0 | 107.6 | L29 Q33 | L29-T31 PolarHBondContact O-N 3.06Å; L29-T31 VanDerWaalsContact O-N 3.15Å; T31-Q33 PolarHBondContact O-N 3.37Å | ||
| 32 | Q | 45.2 | Very low | 45.4 | Very low | 170 Ų | 170 | 153.1 Ų | 153.1 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -69.2 | 97.8 | 176.5 | -162.9 | -102 | -50.8 | 0 | 0 | 108.1 | K34 | Q32-K34 PolarHBondContact O-N 3.45Š| ||
| 33 | Q | 38.7 | Very low | 46.4 | Very low | 175 Ų | 175 | 154.9 Ų | 154.9 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -80.2 | 111.1 | 175.7 | -168.7 | 164 | -30 | 0 | 0 | 109.1 | T31 | T31-Q33 PolarHBondContact O-N 3.37Š| ||
| 34 | K | 34.8 | Very low | 47.5 | Very low | 174 Ų | 174 | 153 Ų | 153 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | trans | -55.1 | 128.8 | 172.4 | -177.1 | 172.4 | 179.5 | 176 | 0 | 111.2 | Q32 | Q32-K34 PolarHBondContact O-N 3.45Š| ||
| 35 | D | 47.9 | Very low | 48 | Very low | 144 Ų | 144 | 156 Ų | 156 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | 40 | 104.7 | 148.5 | -124.9 | -15.5 | 0 | 0 | 0 | 118 | ||||
| 36 | Q | 39.9 | Very low | 48.8 | Very low | 175 Ų | 175 | 155.5 Ų | 155.5 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -144.1 | 101.3 | 152.1 | -152.8 | 163.3 | 11.5 | 0 | 0 | 109.1 | R38 | Q36-R38 VanDerWaalsContact C-N 3.29Å; Q36-R38 PolarHBondContact O-N 3.36Å | ||
| 37 | D | 45 | Very low | 49.2 | Very low | 151 Ų | 151 | 159.1 Ų | 159.1 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | trans | -53.1 | 87.4 | 173.6 | -145.5 | -9 | 0 | 0 | 0 | 109.7 | S39 | D37-S39 PolarHBondContact O-N 2.97Å; D37-S39 VanDerWaalsContact O-N 3.11Å | ||
| 38 | R | 40.1 | Very low | 49.8 | Very low | 213 Ų | 213 | 149.8 Ų | 149.8 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -85 | 88.9 | -178.9 | -163.9 | 149.1 | 93.8 | -178 | 7.2 | 107.4 | Q36 Y40 | Q36-R38 VanDerWaalsContact C-N 3.29Å; Q36-R38 PolarHBondContact O-N 3.36Å; R38-Y40 PolarHBondContact O-N 2.97Å | ||
| 39 | S | 44.3 | Very low | 50.3 | Low | 95 Ų | 95 | 149.6 Ų | 149.6 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | trans | -47.5 | 112 | 163.6 | -53.7 | 0 | 0 | 0 | 0 | 108 | D37 L41 | D37-S39 PolarHBondContact O-N 2.97Å; D37-S39 VanDerWaalsContact O-N 3.11Å; S39-L41 PolarHBondContact O-N 3.47Å | ||
| 40 | Y | 54.3 | Low | 50.8 | Low | 218 Ų | 218 | 146.8 Ų | 146.8 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | trans | -63.4 | 91.9 | 170.3 | -66.6 | -88.1 | 0 | 0 | 0 | 106.9 | R38 L42 | R38-Y40 PolarHBondContact O-N 2.97Å; Y40-L42 VanDerWaalsContact C-N 3.33Å; Y40-L42 PolarHBondContact O-N 3.15Å | ||
| 41 | L | 56.3 | Low | 51.5 | Low | 151 Ų | 151 | 145.7 Ų | 145.7 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | -60.3 | 104.8 | 165 | -76.5 | 177.4 | 0 | 0 | 0 | 106.1 | S39 T43 | S39-L41 PolarHBondContact O-N 3.47Å; L41-T43 PolarHBondContact O-N 2.83Å; L41-T43 PolarHBondContact O-OG1 3.04Å | ||
| 42 | L | 59.2 | Low | 52.2 | Low | 155 Ų | 155 | 147.3 Ų | 147.3 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | trans | -60.7 | 86.9 | 170.9 | -173 | 90.1 | 0 | 0 | 0 | 107.6 | Y40 A44 | Y40-L42 VanDerWaalsContact C-N 3.33Å; Y40-L42 PolarHBondContact O-N 3.15Å; L42-A44 HydrophobicContact CD2-CB 4.35Å; L42-A44 HydrophobicContact CG-CB 4.11Å; L42-A44 PolarHBondContact O-N 3.41Å | ||
| 43 | T | 57.8 | Low | 52.5 | Low | 129 Ų | 129 | 150.1 Ų | 150.1 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | -75.3 | 33.7 | 173.5 | -48.7 | 0 | 0 | 0 | 0 | 111.1 | L41 R45 | L41-T43 PolarHBondContact O-N 2.83Å; L41-T43 PolarHBondContact O-OG1 3.04Å; T43-R45 PolarHBondContact O-N 3.38Å; T43-R45 VanDerWaalsContact O-N 3.14Å | ||
| 44 | A | 64.4 | Low | 53.3 | Low | 63 Ų | 63 | 147 Ų | 147 | 52% | 0.521 | 77% | 0.773 | S | S | . | * | trans | -84.3 | 75.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 107 | L42 I46 | L42-A44 HydrophobicContact CD2-CB 4.35Å; L42-A44 HydrophobicContact CG-CB 4.11Å; L42-A44 PolarHBondContact O-N 3.41Å; A44-I46 PolarHBondContact O-N 2.81Å | ||
| 45 | R | 55.3 | Low | 54.6 | Low | 219 Ų | 219 | 141.1 Ų | 141.1 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | trans | -69 | 90.6 | 167.6 | -172.2 | -171.7 | -97.4 | -154.1 | -2.3 | 106.5 | T43 H47 | T43-R45 PolarHBondContact O-N 3.38Å; T43-R45 VanDerWaalsContact O-N 3.14Å; R45-H47 PolarHBondContact O-N 3.38Å | ||
| 46 | I | 63.5 | Low | 55.5 | Low | 152 Ų | 152 | 140.4 Ų | 140.4 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | trans | -59.3 | 111.6 | 169 | -58.6 | -179.8 | 0 | 0 | 0 | 105.5 | A44 G48 | A44-I46 PolarHBondContact O-N 2.81Å; I46-G48 PolarHBondContact O-N 3.29Å | ||
| 47 | H | 53.6 | Low | 57.2 | Low | 168 Ų | 168 | 138 Ų | 138 | 78% | 0.778 | 77% | 0.765 | S | S | * | * | trans | -68.6 | 72.9 | 166.6 | -113.8 | 112.2 | 0 | 0 | 0 | 107.3 | R45 S49 | R45-H47 PolarHBondContact O-N 3.38Å; H47-S49 PolarHBondContact O-N 3.37Å | ||
| 48 | G | 60.6 | Low | 59.1 | Low | 58 Ų | 58 | 135.2 Ų | 135.2 | 60% | 0.598 | 76% | 0.758 | S | S | * | * | trans | -72.6 | 103.6 | 161 | 0 | 0 | 0 | 0 | 0 | 105.7 | I46 S50 | I46-G48 PolarHBondContact O-N 3.29Å; G48-S50 PolarHBondContact O-N 3.47Å | ||
| 49 | S | 60.9 | Low | 61.7 | Low | 113 Ų | 113 | 132.3 Ų | 132.3 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | -47.1 | 114.9 | 168.1 | -36.3 | 0 | 0 | 0 | 0 | 107.4 | H47 S51 | H47-S49 PolarHBondContact O-N 3.37Å; S49-S51 PolarHBondContact O-N 3.16Å; S49-S51 VanDerWaalsContact O-N 3.07Å | ||
| 50 | S | 55.7 | Low | 64 | Low | 102 Ų | 102 | 130.5 Ų | 130.5 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | trans | -48.9 | 120.6 | 173.4 | 166 | 0 | 0 | 0 | 0 | 108 | G48 L52 | G48-S50 PolarHBondContact O-N 3.47Å; S50-L52 VanDerWaalsContact C-N 3.26Å; S50-L52 PolarHBondContact O-N 3.45Å | ||
| 51 | S | 59.8 | Low | 65.9 | Low | 110 Ų | 110 | 124 Ų | 124 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | trans | -61.3 | 90.8 | 174.4 | 56.5 | 0 | 0 | 0 | 0 | 108.6 | S49 R53 | S49-S51 PolarHBondContact O-N 3.16Å; S49-S51 VanDerWaalsContact O-N 3.07Å; S51-R53 PolarHBondContact O-N 3.08Å; S51-R53 VanDerWaalsContact O-N 3.1Å | ||
| 52 | L | 59.5 | Low | 67.8 | Low | 158 Ų | 158 | 119.9 Ų | 119.9 | 83% | 0.827 | 72% | 0.717 | S | S | * | * | trans | -60.3 | 113.4 | 170.8 | -93.7 | 152.3 | 0 | 0 | 0 | 107.7 | S50 | S50-L52 VanDerWaalsContact C-N 3.26Å; S50-L52 PolarHBondContact O-N 3.45Å | ||
| 53 | R | 50.9 | Low | 69.6 | Low | 230 Ų | 230 | 118 Ų | 118 | 87% | 0.868 | 71% | 0.707 | S | S | * | * | trans | 66.4 | 110.3 | 171.2 | -64.8 | -178.6 | 169.4 | -166.9 | -3.8 | 115.6 | S51 G55 | S51-R53 PolarHBondContact O-N 3.08Å; S51-R53 VanDerWaalsContact O-N 3.1Å; R53-G55 PolarHBondContact O-N 3.48Å | ||
| 54 | A | 54.5 | Low | 71.5 | Confident | 109 Ų | 109 | 115.2 Ų | 115.2 | 90% | 0.901 | 69% | 0.685 | S | S | * | * | trans | -66 | 75.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 55 | G | 61.9 | Low | 73.1 | Confident | 50 Ų | 50 | 119.6 Ų | 119.6 | 52% | 0.515 | 69% | 0.688 | S | S | . | * | trans | -74.6 | 152.7 | 145.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | R53 V57 | R53-G55 PolarHBondContact O-N 3.48Å; G55-V57 PolarHBondContact O-N 2.88Å | ||
| 56 | S | 68.5 | Low | 75.2 | Confident | 130 Ų | 130 | 112.5 Ų | 112.5 | 91% | 0.909 | 67% | 0.669 | S | S | * | * | trans | -50.4 | 104.6 | 172.2 | 179.9 | 0 | 0 | 0 | 0 | 109.8 | S58 | S56-S58 PolarHBondContact O-N 3.29Å; S56-S58 VanDerWaalsContact O-N 3.17Å | ||
| 57 | V | 74.3 | Confident | 76.9 | Confident | 123 Ų | 123 | 106.2 Ų | 106.2 | 75% | 0.745 | 64% | 0.642 | S | S | * | * | trans | -73.3 | 110.7 | -179.8 | 177.2 | 0 | 0 | 0 | 0 | 107.3 | G55 K59 | G55-V57 PolarHBondContact O-N 2.88Å; V57-K59 PolarHBondContact O-N 3.46Å | ||
| 58 | S | 86.2 | Confident | 79 | Confident | 93 Ų | 93 | 98.9 Ų | 98.9 | 65% | 0.65 | 61% | 0.608 | S | S | * | * | trans | -60.6 | 124.5 | 176.1 | 179.9 | 0 | 0 | 0 | 0 | 110.1 | S56 A60 | S56-S58 PolarHBondContact O-N 3.29Å; S56-S58 VanDerWaalsContact O-N 3.17Å; S58-A60 PolarHBondContact O-N 3.33Å; S58-A60 WeakPolarHBondContact OG-CB 3.48Å; S58-A60 PolarHBondContact OG-N 3.5Å | ||
| 59 | K | 93.5 | Very high | 80.8 | Confident | 153 Ų | 153 | 101.6 Ų | 101.6 | 67% | 0.665 | 60% | 0.6 | S | S | * | * | trans | -81.4 | 7.3 | 175.9 | -69.1 | -178.4 | 178.9 | 168.3 | 0 | 113.1 | V57 A61 S62 L63 | V57-K59 PolarHBondContact O-N 3.46Å; K59-A61 PolarHBondContact O-N 2.87Å; K59-S62 PolarHBondContact O-N 3.48Å; K59-S62 VanDerWaalsContact O-N 3.11Å; K59-S62 PolarHBondContact O-OG 3.38Å; K59-L63 HydrophobicContact CB-CD1 4.27Å; K59-L63 HydrophobicContact CB-CG 4.25Å; K59-L63 WeakPolarHBondContact O-CG 3.46Å; K59-L63 PolarHBondContact O-N 2.97Å | ||
| 60 | A | 93.8 | Very high | 82.6 | Confident | 57 Ų | 57 | 100.6 Ų | 100.6 | 47% | 0.471 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -52.9 | -47 | -172 | 0 | 0 | 0 | 0 | 0 | 113.6 | S58 S62 L63 H64 | S58-A60 PolarHBondContact O-N 3.33Å; S58-A60 WeakPolarHBondContact OG-CB 3.48Å; S58-A60 PolarHBondContact OG-N 3.5Å; A60-S62 PolarHBondContact O-N 3.04Å; A60-L63 PolarHBondContact O-N 2.95Å; A60-H64 WeakPolarHBondContact O-CB 3.45Å; A60-H64 PolarHBondContact O-N 3.4Å |
| 61 | A | 94.3 | Very high | 84.7 | Confident | 81 Ų | 81 | 96.4 Ų | 96.4 | 67% | 0.669 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.3 | -43.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K59 H64 W65 | K59-A61 PolarHBondContact O-N 2.87Å; A61-H64 PolarHBondContact O-N 3.23Å; A61-W65 PolarHBondContact O-N 3.37Å |
| 62 | S | 95.6 | Very high | 86.5 | Confident | 64 Ų | 64 | 92.9 Ų | 92.9 | 45% | 0.448 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.9 | -34.9 | 177.4 | 61.5 | 0 | 0 | 0 | 0 | 113 | K59 A60 T66 | K59-S62 PolarHBondContact O-N 3.48Å; K59-S62 VanDerWaalsContact O-N 3.11Å; K59-S62 PolarHBondContact O-OG 3.38Å; A60-S62 PolarHBondContact O-N 3.04Å; S62-T66 WeakPolarHBondContact O-CB 3.35Å; S62-T66 PolarHBondContact O-N 3.31Å; S62-T66 PolarHBondContact O-OG1 3.13Å |
| 63 | L | 97.6 | Very high | 88.4 | Confident | 115 Ų | 115 | 90 Ų | 90 | 60% | 0.602 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -70.1 | -39.8 | 175.1 | -70.2 | 175.7 | 0 | 0 | 0 | 111.2 | K59 A60 T66 G67 | K59-L63 HydrophobicContact CB-CD1 4.27Å; K59-L63 HydrophobicContact CB-CG 4.25Å; K59-L63 WeakPolarHBondContact O-CG 3.46Å; K59-L63 PolarHBondContact O-N 2.97Å; A60-L63 PolarHBondContact O-N 2.95Å; L63-T66 PolarHBondContact O-N 3.29Å; L63-G67 PolarHBondContact O-N 3.44Å |
| 64 | H | 97.5 | Very high | 90.7 | Very high | 72 Ų | 72 | 83.2 Ų | 83.2 | 33% | 0.333 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -49 | 175.3 | -179.7 | -100.6 | 0 | 0 | 0 | 111.1 | A60 A61 T66 G67 E68 W104 | A60-H64 WeakPolarHBondContact O-CB 3.45Å; A60-H64 PolarHBondContact O-N 3.4Å; A61-H64 PolarHBondContact O-N 3.23Å; H64-T66 VanDerWaalsContact C-N 3.31Å; H64-T66 PolarHBondContact O-N 2.9Å; H64-G67 PolarHBondContact O-N 3.03Å; H64-G67 VanDerWaalsContact O-N 3.1Å; H64-E68 IonicContact CE1-OE1 3.08Å; H64-E68 PolarHBondContact CE1-OE1 3.42Å; H64-E68 IonicContact ND1-OE1 3.7Å; H64-E68 IonicContact NE2-OE1 3.94Å; H64-E68 PolarHBondContact O-N 2.93Å; H64-W104 AromaticContact CD2-NE1 3.98Å; H64-W104 AromaticContact NE2-CD1 3.39Å; H64-W104 AromaticContact NE2-CD2 3.89Å; H64-W104 AromaticContact NE2-CE2 3.77Å; H64-W104 AromaticContact NE2-CG 3.67Å; H64-W104 AromaticContact NE2-NE1 3.46Å; H64-W104 PolarHBondContact NE2-NE1 3.41Å |
| 65 | W | 98.3 | Very high | 92.8 | Very high | 155 Ų | 155 | 79.5 Ų | 79.5 | 59% | 0.587 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -55.9 | -44.9 | 174.2 | -178.1 | 87.9 | 0 | 0 | 0 | 112.4 | A61 E68 R69 | A61-W65 PolarHBondContact O-N 3.37Å; W65-E68 PolarHBondContact O-N 3.16Å; W65-R69 HydrophobicContact CE3-CG 4.41Å; W65-R69 HydrophobicContact CH2-CG 4.13Å; W65-R69 HydrophobicContact CZ2-CG 4.24Å; W65-R69 HydrophobicContact CZ3-CG 4.21Å; W65-R69 PolarHBondContact O-N 3.1Å |
| 66 | T | 98.6 | Very high | 94.5 | Very high | 69 Ų | 69 | 83.7 Ų | 83.7 | 42% | 0.423 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 177.6 | -55.9 | 0 | 0 | 0 | 0 | 111 | S62 L63 H64 E68 R69 V70 | S62-T66 WeakPolarHBondContact O-CB 3.35Å; S62-T66 PolarHBondContact O-N 3.31Å; S62-T66 PolarHBondContact O-OG1 3.13Å; L63-T66 PolarHBondContact O-N 3.29Å; H64-T66 VanDerWaalsContact C-N 3.31Å; H64-T66 PolarHBondContact O-N 2.9Å; T66-E68 VanDerWaalsContact C-N 3.33Å; T66-E68 PolarHBondContact O-N 3.42Å; T66-R69 PolarHBondContact O-N 3.3Å; T66-R69 VanDerWaalsContact O-N 3.13Å; T66-V70 WeakPolarHBondContact O-CG2 3.38Å; T66-V70 PolarHBondContact O-N 3.48Å |
| 67 | G | 98.4 | Very high | 95.9 | Very high | 21 Ų | 21 | 80.1 Ų | 80.1 | 22% | 0.216 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -58.6 | -42.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L63 H64 R69 V70 V71 | L63-G67 PolarHBondContact O-N 3.44Å; H64-G67 PolarHBondContact O-N 3.03Å; H64-G67 VanDerWaalsContact O-N 3.1Å; G67-R69 VanDerWaalsContact C-N 3.3Å; G67-R69 PolarHBondContact O-N 3.36Å; G67-V70 PolarHBondContact O-N 2.82Å; G67-V71 WeakPolarHBondContact O-CG2 3.28Å; G67-V71 PolarHBondContact O-N 2.95Å |
| 68 | E | 98.6 | Very high | 97.1 | Very high | 13 Ų | 13 | 75 Ų | 75 | 6% | 0.061 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -56.7 | -44.6 | 174.5 | -68.6 | -179.9 | 169.1 | 0 | 0 | 111.7 | H64 W65 T66 V71 S72 W104 Q108 | H64-E68 IonicContact CE1-OE1 3.08Å; H64-E68 PolarHBondContact CE1-OE1 3.42Å; H64-E68 IonicContact ND1-OE1 3.7Å; H64-E68 IonicContact NE2-OE1 3.94Å; H64-E68 PolarHBondContact O-N 2.93Å; W65-E68 PolarHBondContact O-N 3.16Å; T66-E68 VanDerWaalsContact C-N 3.33Å; T66-E68 PolarHBondContact O-N 3.42Å; E68-V71 PolarHBondContact O-N 2.74Å; E68-S72 PolarHBondContact O-N 2.98Å; E68-S72 PolarHBondContact O-OG 3.29Å; E68-W104 HydrophobicContact CB-CE3 4.34Å; E68-W104 HydrophobicContact CG-CB 4.14Å; E68-W104 HydrophobicContact CG-CD2 4.21Å; E68-W104 HydrophobicContact CG-CE3 3.81Å; E68-W104 HydrophobicContact CG-CG 4.39Å; E68-Q108 PolarHBondContact OE1-NE2 2.79Å |
| 69 | R | 98.7 | Very high | 97.6 | Very high | 116 Ų | 116 | 72.6 Ų | 72.6 | 44% | 0.438 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 179.1 | -57.1 | -49.6 | 97.8 | 159.7 | 4.9 | 111.6 | W65 T66 G67 S72 V73 | W65-R69 HydrophobicContact CE3-CG 4.41Å; W65-R69 HydrophobicContact CH2-CG 4.13Å; W65-R69 HydrophobicContact CZ2-CG 4.24Å; W65-R69 HydrophobicContact CZ3-CG 4.21Å; W65-R69 PolarHBondContact O-N 3.1Å; T66-R69 PolarHBondContact O-N 3.3Å; T66-R69 VanDerWaalsContact O-N 3.13Å; G67-R69 VanDerWaalsContact C-N 3.3Å; G67-R69 PolarHBondContact O-N 3.36Å; R69-S72 WeakPolarHBondContact O-CB 3.17Å; R69-S72 PolarHBondContact O-N 2.84Å; R69-V73 WeakPolarHBondContact O-CG2 3.32Å; R69-V73 PolarHBondContact O-N 3.42Å |
| 70 | V | 98.8 | Very high | 97.9 | Very high | 91 Ų | 91 | 68.7 Ų | 68.7 | 55% | 0.552 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -60.4 | -48 | 176.6 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | T66 G67 S72 V73 L74 | T66-V70 WeakPolarHBondContact O-CG2 3.38Å; T66-V70 PolarHBondContact O-N 3.48Å; G67-V70 PolarHBondContact O-N 2.82Å; V70-S72 VanDerWaalsContact C-N 3.32Å; V70-S72 PolarHBondContact O-N 3.11Å; V70-V73 PolarHBondContact O-N 3.3Å; V70-L74 WeakPolarHBondContact O-CB 3.36Å; V70-L74 PolarHBondContact O-N 3.3Å |
| 71 | V | 98.8 | Very high | 98.1 | Very high | 15 Ų | 15 | 67.3 Ų | 67.3 | 9% | 0.091 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66 | -35.5 | 178.6 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | G67 E68 L74 L75 L100 H101 W104 | G67-V71 WeakPolarHBondContact O-CG2 3.28Å; G67-V71 PolarHBondContact O-N 2.95Å; E68-V71 PolarHBondContact O-N 2.74Å; V71-L74 PolarHBondContact O-N 3.1Å; V71-L75 WeakPolarHBondContact O-CB 3.48Å; V71-L75 PolarHBondContact O-N 3.35Å; V71-L100 HydrophobicContact CG2-CD2 3.95Å; V71-H101 HydrophobicContact CG1-CB 3.92Å; V71-W104 HydrophobicContact CB-CZ3 4.09Å; V71-W104 HydrophobicContact CG2-CE3 4.44Å; V71-W104 HydrophobicContact CG2-CH2 4.16Å; V71-W104 HydrophobicContact CG2-CZ3 3.54Å |
| 72 | S | 98.7 | Very high | 98.3 | Very high | 36 Ų | 36 | 64.4 Ų | 64.4 | 25% | 0.252 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 172.8 | -64.9 | 0 | 0 | 0 | 0 | 113 | E68 R69 V70 L74 L75 L76 H101 | E68-S72 PolarHBondContact O-N 2.98Å; E68-S72 PolarHBondContact O-OG 3.29Å; R69-S72 WeakPolarHBondContact O-CB 3.17Å; R69-S72 PolarHBondContact O-N 2.84Å; V70-S72 VanDerWaalsContact C-N 3.32Å; V70-S72 PolarHBondContact O-N 3.11Å; S72-L74 VanDerWaalsContact C-N 3.35Å; S72-L75 PolarHBondContact O-N 3.42Å; S72-L76 WeakPolarHBondContact O-CB 3.5Å; S72-L76 PolarHBondContact O-N 2.86Å; S72-H101 PolarHBondContact OG-CE1 2.89Å; S72-H101 PolarHBondContact OG-ND1 2.9Å |
| 73 | V | 98.8 | Very high | 98.4 | Very high | 98 Ų | 98 | 70 Ų | 70 | 59% | 0.594 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -66.3 | -39.7 | 177.5 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | R69 V70 L76 A77 | R69-V73 WeakPolarHBondContact O-CG2 3.32Å; R69-V73 PolarHBondContact O-N 3.42Å; V70-V73 PolarHBondContact O-N 3.3Å; V73-L76 PolarHBondContact O-N 2.97Å; V73-A77 WeakPolarHBondContact O-CB 3.34Å; V73-A77 PolarHBondContact O-N 3.45Å |
| 74 | L | 98.6 | Very high | 98.4 | Very high | 86 Ų | 86 | 72.2 Ų | 72.2 | 45% | 0.45 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.5 | -50.3 | 174 | 175.4 | 63.2 | 0 | 0 | 0 | 111.3 | V70 V71 S72 L76 A77 L78 A97 | V70-L74 WeakPolarHBondContact O-CB 3.36Å; V70-L74 PolarHBondContact O-N 3.3Å; V71-L74 PolarHBondContact O-N 3.1Å; S72-L74 VanDerWaalsContact C-N 3.35Å; L74-L76 VanDerWaalsContact C-N 3.3Å; L74-L76 PolarHBondContact O-N 2.66Å; L74-A77 PolarHBondContact O-N 3.42Å; L74-A77 VanDerWaalsContact O-N 3.13Å; L74-L78 HydrophobicContact CD1-CD1 4.27Å; L74-L78 HydrophobicContact CD1-CG 4.27Å; L74-L78 HydrophobicContact CG-CD1 4.05Å; L74-L78 HydrophobicContact CG-CG 4.47Å; L74-L78 WeakPolarHBondContact O-CG 3.46Å; L74-L78 PolarHBondContact O-N 3.08Å; L74-A97 HydrophobicContact CD2-CB 4.31Å; L74-A97 HydrophobicContact CG-CB 4.49Å |
| 75 | L | 98.6 | Very high | 98.4 | Very high | 32 Ų | 32 | 76.1 Ų | 76.1 | 17% | 0.168 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.5 | -38.9 | 179.6 | -174.9 | 60.9 | 0 | 0 | 0 | 111.7 | V71 S72 A77 L78 G79 L94 A97 L98 H101 | V71-L75 WeakPolarHBondContact O-CB 3.48Å; V71-L75 PolarHBondContact O-N 3.35Å; S72-L75 PolarHBondContact O-N 3.42Å; L75-A77 VanDerWaalsContact C-N 3.34Å; L75-A77 PolarHBondContact O-N 2.99Å; L75-L78 PolarHBondContact O-N 2.85Å; L75-G79 PolarHBondContact O-N 3.43Å; L75-L94 HydrophobicContact CD1-CD2 4.3Å; L75-A97 HydrophobicContact CB-CB 4.36Å; L75-A97 HydrophobicContact CD1-CB 4.03Å; L75-L98 HydrophobicContact CD1-CB 4.35Å; L75-L98 HydrophobicContact CD1-CD1 4.39Å; L75-L98 HydrophobicContact CD2-CD1 4.21Å; L75-H101 HydrophobicContact CD2-CB 3.93Å |
| 76 | L | 98.6 | Very high | 98.3 | Very high | 138 Ų | 138 | 72.8 Ų | 72.8 | 72% | 0.723 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -60 | -43.1 | 173.4 | 179.9 | 63.8 | 0 | 0 | 0 | 111.8 | S72 V73 L74 P80 | S72-L76 WeakPolarHBondContact O-CB 3.5Å; S72-L76 PolarHBondContact O-N 2.86Å; V73-L76 PolarHBondContact O-N 2.97Å; L74-L76 VanDerWaalsContact C-N 3.3Å; L74-L76 PolarHBondContact O-N 2.66Å; L76-P80 WeakPolarHBondContact O-CD 3.38Å |
| 77 | A | 98.5 | Very high | 98.3 | Very high | 55 Ų | 55 | 70.5 Ų | 70.5 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -70.8 | -30.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V73 L74 L75 G79 P80 A81 | V73-A77 WeakPolarHBondContact O-CB 3.34Å; V73-A77 PolarHBondContact O-N 3.45Å; L74-A77 PolarHBondContact O-N 3.42Å; L74-A77 VanDerWaalsContact O-N 3.13Å; L75-A77 VanDerWaalsContact C-N 3.34Å; L75-A77 PolarHBondContact O-N 2.99Å; A77-G79 VanDerWaalsContact C-N 3.27Å; A77-G79 PolarHBondContact O-N 3.37Å; A77-P80 VanDerWaalsContact O-CD 3.28Å; A77-P80 WeakPolarHBondContact O-CD 3.31Å; A77-P80 WeakPolarHBondContact O-CG 3.3Å; A77-A81 WeakPolarHBondContact O-CB 3.39Å; A77-A81 PolarHBondContact O-N 3.45Å |
| 78 | L | 98.6 | Very high | 98.2 | Very high | 14 Ų | 14 | 73.9 Ų | 73.9 | 7% | 0.073 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.5 | -26.4 | 177.6 | -74.6 | 170.1 | 0 | 0 | 0 | 112.9 | L74 L75 A81 A82 V90 L94 A97 | L74-L78 HydrophobicContact CD1-CD1 4.27Å; L74-L78 HydrophobicContact CD1-CG 4.27Å; L74-L78 HydrophobicContact CG-CD1 4.05Å; L74-L78 HydrophobicContact CG-CG 4.47Å; L74-L78 WeakPolarHBondContact O-CG 3.46Å; L74-L78 PolarHBondContact O-N 3.08Å; L75-L78 PolarHBondContact O-N 2.85Å; L78-A81 PolarHBondContact O-N 2.78Å; L78-A82 VanDerWaalsContact O-CB 3.24Å; L78-A82 WeakPolarHBondContact O-CB 3.24Å; L78-A82 PolarHBondContact O-N 3.04Å; L78-V90 HydrophobicContact CD2-CG1 4.34Å; L78-L94 HydrophobicContact CB-CD2 3.79Å; L78-L94 HydrophobicContact CB-CG 4.3Å; L78-L94 HydrophobicContact CD1-CD2 4.47Å; L78-A97 HydrophobicContact CD1-CB 3.63Å |
| 79 | G | 97.5 | Very high | 98.2 | Very high | 43 Ų | 43 | 77 Ų | 77 | 44% | 0.443 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -54.7 | -62.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L75 A77 A81 A82 Y83 | L75-G79 PolarHBondContact O-N 3.43Å; A77-G79 VanDerWaalsContact C-N 3.27Å; A77-G79 PolarHBondContact O-N 3.37Å; G79-A81 VanDerWaalsContact C-N 3.32Å; G79-A81 PolarHBondContact O-N 3.47Å; G79-A82 PolarHBondContact O-N 2.92Å; G79-Y83 PolarHBondContact O-N 2.93Å |
| 80 | P | 98.3 | Very high | 98.2 | Very high | 72 Ų | 72 | 72.5 Ų | 72.5 | 47% | 0.468 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.5 | -33.4 | 175 | 24.7 | -32.3 | 0 | 0 | 0 | 112.6 | L76 A77 A82 Y83 Y84 | L76-P80 WeakPolarHBondContact O-CD 3.38Å; A77-P80 VanDerWaalsContact O-CD 3.28Å; A77-P80 WeakPolarHBondContact O-CD 3.31Å; A77-P80 WeakPolarHBondContact O-CG 3.3Å; P80-A82 VanDerWaalsContact C-N 3.31Å; P80-A82 PolarHBondContact O-N 3.3Å; P80-Y83 PolarHBondContact O-N 3.36Å; P80-Y83 VanDerWaalsContact O-N 3.16Å; P80-Y84 VanDerWaalsContact O-CD2 3.29Å; P80-Y84 WeakPolarHBondContact O-CD2 3.21Å; P80-Y84 PolarHBondContact O-N 3.45Å |
| 81 | A | 98.4 | Very high | 98.2 | Very high | 27 Ų | 27 | 68.7 Ų | 68.7 | 22% | 0.223 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.6 | -39.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A77 L78 G79 Y83 Y84 F85 | A77-A81 WeakPolarHBondContact O-CB 3.39Å; A77-A81 PolarHBondContact O-N 3.45Å; L78-A81 PolarHBondContact O-N 2.78Å; G79-A81 VanDerWaalsContact C-N 3.32Å; G79-A81 PolarHBondContact O-N 3.47Å; A81-Y83 VanDerWaalsContact C-N 3.25Å; A81-Y83 PolarHBondContact O-N 2.86Å; A81-Y84 PolarHBondContact O-N 3.42Å; A81-F85 CarbonylContact O-C 3.45Å; A81-F85 WeakPolarHBondContact O-CA 3.4Å; A81-F85 PolarHBondContact O-N 3.31Å |
| 82 | A | 98.3 | Very high | 98.2 | Very high | 21 Ų | 21 | 71.8 Ų | 71.8 | 17% | 0.174 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.9 | -31.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L78 G79 P80 V90 L94 | L78-A82 VanDerWaalsContact O-CB 3.24Å; L78-A82 WeakPolarHBondContact O-CB 3.24Å; L78-A82 PolarHBondContact O-N 3.04Å; G79-A82 PolarHBondContact O-N 2.92Å; P80-A82 VanDerWaalsContact C-N 3.31Å; P80-A82 PolarHBondContact O-N 3.3Å; A82-V90 HydrophobicContact CB-CG1 3.86Å; A82-L94 HydrophobicContact CB-CD1 3.8Å |
| 83 | Y | 97.6 | Very high | 98.2 | Very high | 181 Ų | 181 | 72.7 Ų | 72.7 | 71% | 0.71 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -75.5 | -48.6 | 176.6 | -176.5 | -97.1 | 0 | 0 | 0 | 112.3 | G79 P80 A81 | G79-Y83 PolarHBondContact O-N 2.93Å; P80-Y83 PolarHBondContact O-N 3.36Å; P80-Y83 VanDerWaalsContact O-N 3.16Å; A81-Y83 VanDerWaalsContact C-N 3.25Å; A81-Y83 PolarHBondContact O-N 2.86Å |
| 84 | Y | 98.2 | Very high | 98.2 | Very high | 161 Ų | 161 | 69.3 Ų | 69.3 | 63% | 0.631 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -83.4 | -31.3 | -174.8 | -72 | -69 | 0 | 0 | 0 | 114 | P80 A81 P86 | P80-Y84 VanDerWaalsContact O-CD2 3.29Å; P80-Y84 WeakPolarHBondContact O-CD2 3.21Å; P80-Y84 PolarHBondContact O-N 3.45Å; A81-Y84 PolarHBondContact O-N 3.42Å; Y84-P86 VanDerWaalsContact C-CD 3.46Å |
| 85 | F | 97.2 | Very high | 98.2 | Very high | 154 Ų | 154 | 65.2 Ų | 65.2 | 68% | 0.675 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -131.2 | 58.7 | -173.1 | -51.4 | -72.3 | 0 | 0 | 0 | 111.3 | A81 G87 V90 | A81-F85 CarbonylContact O-C 3.45Å; A81-F85 WeakPolarHBondContact O-CA 3.4Å; A81-F85 PolarHBondContact O-N 3.31Å; F85-G87 PolarHBondContact O-N 2.88Å; F85-V90 VanDerWaalsContact O-CG2 3.3Å; F85-V90 WeakPolarHBondContact O-CG2 3.4Å |
| 86 | P | 97.6 | Very high | 98.2 | Very high | 85 Ų | 85 | 65.7 Ų | 65.7 | 55% | 0.552 | 38% | 0.379 | S | S | * | . | trans | -63.8 | 135.4 | 179.6 | 28.4 | -35.1 | 0 | 0 | 0 | 110.8 | Y84 C149 | Y84-P86 VanDerWaalsContact C-CD 3.46Å; P86-C149 HydrophobicContact CB-CB 3.88Å | ||
| 87 | G | 96.8 | Very high | 98.2 | Very high | 21 Ų | 21 | 59.3 Ų | 59.3 | 22% | 0.216 | 35% | 0.346 | C | S | . | . | S | Bend | trans | 164.5 | 176.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | F85 A89 V90 D91 | F85-G87 PolarHBondContact O-N 2.88Å; G87-A89 VanDerWaalsContact C-N 3.31Å; G87-A89 PolarHBondContact O-N 3.21Å; G87-A89 VanDerWaalsContact O-N 3.16Å; G87-V90 PolarHBondContact O-N 2.91Å; G87-D91 PolarHBondContact O-N 3Å |
| 88 | P | 97.9 | Very high | 98.2 | Very high | 93 Ų | 93 | 61.3 Ų | 61.3 | 60% | 0.604 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -57.2 | -39.2 | -168.3 | -27.5 | 34.7 | 0 | 0 | 0 | 114.1 | V90 D91 Y92 | P88-V90 VanDerWaalsContact C-N 3.33Å; P88-V90 PolarHBondContact O-N 2.78Å; P88-D91 PolarHBondContact O-N 3.28Å; P88-Y92 WeakPolarHBondContact O-CD2 3.42Å; P88-Y92 PolarHBondContact O-N 3.36Å |
| 89 | A | 98.3 | Very high | 98.3 | Very high | 77 Ų | 77 | 61.4 Ų | 61.4 | 64% | 0.636 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.9 | -42.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G87 S93 | G87-A89 VanDerWaalsContact C-N 3.31Å; G87-A89 PolarHBondContact O-N 3.21Å; G87-A89 VanDerWaalsContact O-N 3.16Å; A89-S93 VanDerWaalsContact O-CB 3.24Å; A89-S93 WeakPolarHBondContact O-CB 3.21Å; A89-S93 PolarHBondContact O-N 2.79Å; A89-S93 VanDerWaalsContact O-N 3.08Å; A89-S93 PolarHBondContact O-OG 3.4Å |
| 90 | V | 98.6 | Very high | 98.3 | Very high | 22 Ų | 22 | 62.7 Ų | 62.7 | 13% | 0.133 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -73.5 | -38.6 | 177.7 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | L78 A82 F85 G87 P88 S93 L94 | L78-V90 HydrophobicContact CD2-CG1 4.34Å; A82-V90 HydrophobicContact CB-CG1 3.86Å; F85-V90 VanDerWaalsContact O-CG2 3.3Å; F85-V90 WeakPolarHBondContact O-CG2 3.4Å; G87-V90 PolarHBondContact O-N 2.91Å; P88-V90 VanDerWaalsContact C-N 3.33Å; P88-V90 PolarHBondContact O-N 2.78Å; V90-S93 PolarHBondContact O-N 3.36Å; V90-L94 HydrophobicContact CG1-CD1 4.11Å; V90-L94 HydrophobicContact CG1-CG 4.31Å; V90-L94 WeakPolarHBondContact O-CB 3.34Å; V90-L94 WeakPolarHBondContact O-CG 3.24Å; V90-L94 PolarHBondContact O-N 3.43Å |
| 91 | D | 98.8 | Very high | 98.3 | Very high | 11 Ų | 11 | 62.7 Ų | 62.7 | 6% | 0.059 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.3 | -48.1 | 176.8 | -74.6 | -39.2 | 0 | 0 | 0 | 112.9 | G87 P88 L94 A95 N142 I148 C149 | G87-D91 PolarHBondContact O-N 3Å; P88-D91 PolarHBondContact O-N 3.28Å; D91-L94 PolarHBondContact O-N 3.41Å; D91-A95 WeakPolarHBondContact O-CB 3.49Å; D91-A95 PolarHBondContact O-N 3.2Å; D91-N142 VanDerWaalsContact C-ND2 3.25Å; D91-N142 PolarHBondContact O-ND2 3.13Å; D91-I148 PolarHBondContact OD1-N 3.34Å; D91-C149 VanDerWaalsContact OD1-CB 3.31Å; D91-C149 WeakPolarHBondContact OD1-CB 3.33Å; D91-C149 PolarHBondContact OD1-N 3.35Å; D91-C149 PolarHBondContact OD1-SG 3.44Å |
| 92 | Y | 98.8 | Very high | 98.4 | Very high | 81 Ų | 81 | 62.8 Ų | 62.8 | 32% | 0.318 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70 | -35.5 | 176.2 | -77 | -70.1 | 0 | 0 | 0 | 112.3 | P88 A95 A96 C139 N142 Y143 | P88-Y92 WeakPolarHBondContact O-CD2 3.42Å; P88-Y92 PolarHBondContact O-N 3.36Å; Y92-A95 PolarHBondContact O-N 3.32Å; Y92-A96 WeakPolarHBondContact O-CB 3.41Å; Y92-A96 PolarHBondContact O-N 2.88Å; Y92-C139 HydrophobicContact CE1-CB 4.05Å; Y92-N142 HydrophobicContact CD1-CB 4.32Å; Y92-N142 HydrophobicContact CE1-CB 3.82Å; Y92-N142 HydrophobicContact CE2-CB 4.17Å; Y92-Y143 WeakPolarHBondContact OH-CB 3.36Å; Y92-Y143 PolarHBondContact OH-N 2.87Å |
| 93 | S | 98.7 | Very high | 98.4 | Very high | 54 Ų | 54 | 63.1 Ų | 63.1 | 38% | 0.378 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 174.4 | -61.5 | 0 | 0 | 0 | 0 | 111.5 | A89 V90 A96 A97 | A89-S93 VanDerWaalsContact O-CB 3.24Å; A89-S93 WeakPolarHBondContact O-CB 3.21Å; A89-S93 PolarHBondContact O-N 2.79Å; A89-S93 VanDerWaalsContact O-N 3.08Å; A89-S93 PolarHBondContact O-OG 3.4Å; V90-S93 PolarHBondContact O-N 3.36Å; S93-A96 PolarHBondContact O-N 3.03Å; S93-A97 WeakPolarHBondContact O-CB 3.47Å; S93-A97 PolarHBondContact O-N 2.93Å |
| 94 | L | 98.8 | Very high | 98.4 | Very high | 27 Ų | 27 | 57.4 Ų | 57.4 | 14% | 0.141 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.3 | -47.6 | 173 | -84.6 | 171.7 | 0 | 0 | 0 | 111.2 | L75 L78 A82 V90 D91 A96 A97 L98 I148 | L75-L94 HydrophobicContact CD1-CD2 4.3Å; L78-L94 HydrophobicContact CB-CD2 3.79Å; L78-L94 HydrophobicContact CB-CG 4.3Å; L78-L94 HydrophobicContact CD1-CD2 4.47Å; A82-L94 HydrophobicContact CB-CD1 3.8Å; V90-L94 HydrophobicContact CG1-CD1 4.11Å; V90-L94 HydrophobicContact CG1-CG 4.31Å; V90-L94 WeakPolarHBondContact O-CB 3.34Å; V90-L94 WeakPolarHBondContact O-CG 3.24Å; V90-L94 PolarHBondContact O-N 3.43Å; D91-L94 PolarHBondContact O-N 3.41Å; L94-A96 VanDerWaalsContact C-N 3.31Å; L94-A96 PolarHBondContact O-N 2.95Å; L94-A97 PolarHBondContact O-N 3.02Å; L94-L98 WeakPolarHBondContact O-CB 3.19Å; L94-L98 PolarHBondContact O-N 2.94Å; L94-I148 HydrophobicContact CB-CD1 4.46Å; L94-I148 HydrophobicContact CD1-CG2 4.23Å |
| 95 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.5 | -45.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D91 Y92 T99 F135 L138 I148 | D91-A95 WeakPolarHBondContact O-CB 3.49Å; D91-A95 PolarHBondContact O-N 3.2Å; Y92-A95 PolarHBondContact O-N 3.32Å; A95-T99 VanDerWaalsContact O-CB 3.3Å; A95-T99 WeakPolarHBondContact O-CB 3.07Å; A95-T99 PolarHBondContact O-N 3.49Å; A95-T99 PolarHBondContact O-OG1 3.27Å; A95-F135 HydrophobicContact CB-CE2 4.45Å; A95-L138 HydrophobicContact CB-CB 3.75Å; A95-L138 HydrophobicContact CB-CD1 4.29Å; A95-I148 HydrophobicContact CB-CD1 4.03Å |
| 96 | A | 98.8 | Very high | 98.5 | Very high | 42 Ų | 42 | 47.8 Ų | 47.8 | 35% | 0.347 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.5 | -52.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y92 S93 L94 T99 L100 F135 | Y92-A96 WeakPolarHBondContact O-CB 3.41Å; Y92-A96 PolarHBondContact O-N 2.88Å; S93-A96 PolarHBondContact O-N 3.03Å; L94-A96 VanDerWaalsContact C-N 3.31Å; L94-A96 PolarHBondContact O-N 2.95Å; A96-T99 PolarHBondContact O-N 3.34Å; A96-L100 VanDerWaalsContact O-CB 3.25Å; A96-L100 WeakPolarHBondContact O-CB 3.32Å; A96-L100 PolarHBondContact O-N 3.46Å; A96-F135 HydrophobicContact CB-CE2 3.93Å |
| 97 | A | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 3% | 0.033 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.9 | -43.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L74 L75 L78 S93 L94 H101 | L74-A97 HydrophobicContact CD2-CB 4.31Å; L74-A97 HydrophobicContact CG-CB 4.49Å; L75-A97 HydrophobicContact CB-CB 4.36Å; L75-A97 HydrophobicContact CD1-CB 4.03Å; L78-A97 HydrophobicContact CD1-CB 3.63Å; S93-A97 WeakPolarHBondContact O-CB 3.47Å; S93-A97 PolarHBondContact O-N 2.93Å; L94-A97 PolarHBondContact O-N 3.02Å; A97-H101 WeakPolarHBondContact O-CB 3.47Å; A97-H101 PolarHBondContact O-N 2.98Å |
| 98 | L | 98.8 | Very high | 98.7 | Very high | 98 Ų | 98 | 47 Ų | 47 | 51% | 0.513 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.8 | -46.9 | 178.3 | -171.4 | 69.8 | 0 | 0 | 0 | 110.9 | L75 L94 G102 | L75-L98 HydrophobicContact CD1-CB 4.35Å; L75-L98 HydrophobicContact CD1-CD1 4.39Å; L75-L98 HydrophobicContact CD2-CD1 4.21Å; L94-L98 WeakPolarHBondContact O-CB 3.19Å; L94-L98 PolarHBondContact O-N 2.94Å; L98-G102 PolarHBondContact O-N 2.91Å |
| 99 | T | 98.8 | Very high | 98.7 | Very high | 16 Ų | 16 | 46.3 Ų | 46.3 | 10% | 0.098 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.2 | -43.4 | -178.5 | -50.1 | 0 | 0 | 0 | 0 | 111.7 | A95 A96 G102 H103 S131 T134 F135 | A95-T99 VanDerWaalsContact O-CB 3.3Å; A95-T99 WeakPolarHBondContact O-CB 3.07Å; A95-T99 PolarHBondContact O-N 3.49Å; A95-T99 PolarHBondContact O-OG1 3.27Å; A96-T99 PolarHBondContact O-N 3.34Å; T99-G102 PolarHBondContact O-N 2.85Å; T99-H103 VanDerWaalsContact O-CB 3.31Å; T99-H103 WeakPolarHBondContact O-CB 3.32Å; T99-H103 PolarHBondContact O-N 2.94Å; T99-S131 VanDerWaalsContact CG2-O 3.27Å; T99-S131 WeakPolarHBondContact CG2-O 3.46Å; T99-T134 HydrophobicContact CG2-CG2 4.26Å; T99-F135 HydrophobicContact CG2-CB 3.84Å |
| 100 | L | 98.8 | Very high | 98.7 | Very high | 69 Ų | 69 | 44 Ų | 44 | 36% | 0.361 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.7 | -42.2 | 179.7 | -174.8 | 60.5 | 0 | 0 | 0 | 112.1 | V71 A96 G102 H103 W104 | V71-L100 HydrophobicContact CG2-CD2 3.95Å; A96-L100 VanDerWaalsContact O-CB 3.25Å; A96-L100 WeakPolarHBondContact O-CB 3.32Å; A96-L100 PolarHBondContact O-N 3.46Å; L100-G102 VanDerWaalsContact C-N 3.34Å; L100-H103 PolarHBondContact O-N 3.45Å; L100-W104 HydrophobicContact CD1-CD2 4.16Å; L100-W104 HydrophobicContact CD1-CH2 4.22Å; L100-W104 HydrophobicContact CD1-CZ2 3.78Å; L100-W104 HydrophobicContact CD2-CH2 3.86Å; L100-W104 HydrophobicContact CD2-CZ2 4.22Å; L100-W104 HydrophobicContact CD2-CZ3 4.15Å; L100-W104 HydrophobicContact CG-CD2 4.3Å; L100-W104 HydrophobicContact CG-CE3 4.2Å; L100-W104 HydrophobicContact CG-CH2 4.07Å; L100-W104 HydrophobicContact CG-CZ2 4.14Å; L100-W104 HydrophobicContact CG-CZ3 4.1Å; L100-W104 PolarHBondContact O-N 2.7Å; L100-W104 VanDerWaalsContact O-N 3.08Å |
| 101 | H | 98.8 | Very high | 98.7 | Very high | 72 Ų | 72 | 47.7 Ų | 47.7 | 33% | 0.333 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 175.1 | -175.1 | 58.9 | 0 | 0 | 0 | 111.1 | V71 S72 L75 A97 G105 | V71-H101 HydrophobicContact CG1-CB 3.92Å; S72-H101 PolarHBondContact OG-CE1 2.89Å; S72-H101 PolarHBondContact OG-ND1 2.9Å; L75-H101 HydrophobicContact CD2-CB 3.93Å; A97-H101 WeakPolarHBondContact O-CB 3.47Å; A97-H101 PolarHBondContact O-N 2.98Å; H101-G105 PolarHBondContact O-N 2.96Å |
| 102 | G | 98.7 | Very high | 98.6 | Very high | 29 Ų | 29 | 51.8 Ų | 51.8 | 30% | 0.299 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L98 T99 L100 G105 I106 | L98-G102 PolarHBondContact O-N 2.91Å; T99-G102 PolarHBondContact O-N 2.85Å; L100-G102 VanDerWaalsContact C-N 3.34Å; G102-G105 PolarHBondContact O-N 3.38Å; G102-I106 WeakPolarHBondContact O-CB 3.42Å; G102-I106 VanDerWaalsContact O-CG1 3.31Å; G102-I106 WeakPolarHBondContact O-CG1 3.33Å; G102-I106 PolarHBondContact O-N 3.37Å |
| 103 | H | 98.8 | Very high | 98.6 | Very high | 28 Ų | 28 | 56.1 Ų | 56.1 | 13% | 0.13 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.6 | -50.8 | 178.5 | -179.4 | 81.3 | 0 | 0 | 0 | 111.9 | T99 L100 G107 F128 S131 | T99-H103 VanDerWaalsContact O-CB 3.31Å; T99-H103 WeakPolarHBondContact O-CB 3.32Å; T99-H103 PolarHBondContact O-N 2.94Å; L100-H103 PolarHBondContact O-N 3.45Å; H103-G107 PolarHBondContact O-N 3.49Å; H103-F128 AromaticContact CE1-CD1 3.89Å; H103-F128 AromaticContact CE1-CE1 3.94Å; H103-F128 AromaticContact NE2-CE1 3.91Å; H103-F128 AromaticContact NE2-CZ 3.85Å; H103-S131 WeakPolarHBondContact ND1-CB 3.22Å; H103-S131 PolarHBondContact ND1-OG 3.24Å |
| 104 | W | 98.8 | Very high | 98.6 | Very high | 62 Ų | 62 | 55.5 Ų | 55.5 | 24% | 0.235 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68 | -40 | 177.3 | -69.6 | -26 | 0 | 0 | 0 | 112.6 | H64 E68 V71 L100 I106 G107 Q108 | H64-W104 AromaticContact CD2-NE1 3.98Å; H64-W104 AromaticContact NE2-CD1 3.39Å; H64-W104 AromaticContact NE2-CD2 3.89Å; H64-W104 AromaticContact NE2-CE2 3.77Å; H64-W104 AromaticContact NE2-CG 3.67Å; H64-W104 AromaticContact NE2-NE1 3.46Å; H64-W104 PolarHBondContact NE2-NE1 3.41Å; E68-W104 HydrophobicContact CB-CE3 4.34Å; E68-W104 HydrophobicContact CG-CB 4.14Å; E68-W104 HydrophobicContact CG-CD2 4.21Å; E68-W104 HydrophobicContact CG-CE3 3.81Å; E68-W104 HydrophobicContact CG-CG 4.39Å; V71-W104 HydrophobicContact CB-CZ3 4.09Å; V71-W104 HydrophobicContact CG2-CE3 4.44Å; V71-W104 HydrophobicContact CG2-CH2 4.16Å; V71-W104 HydrophobicContact CG2-CZ3 3.54Å; L100-W104 HydrophobicContact CD1-CD2 4.16Å; L100-W104 HydrophobicContact CD1-CH2 4.22Å; L100-W104 HydrophobicContact CD1-CZ2 3.78Å; L100-W104 HydrophobicContact CD2-CH2 3.86Å; L100-W104 HydrophobicContact CD2-CZ2 4.22Å; L100-W104 HydrophobicContact CD2-CZ3 4.15Å; L100-W104 HydrophobicContact CG-CD2 4.3Å; L100-W104 HydrophobicContact CG-CE3 4.2Å; L100-W104 HydrophobicContact CG-CH2 4.07Å; L100-W104 HydrophobicContact CG-CZ2 4.14Å; L100-W104 HydrophobicContact CG-CZ3 4.1Å; L100-W104 PolarHBondContact O-N 2.7Å; L100-W104 VanDerWaalsContact O-N 3.08Å; W104-I106 PolarHBondContact O-N 3.02Å; W104-G107 WeakPolarHBondContact O-CA 3.28Å; W104-G107 PolarHBondContact O-N 3.16Å; W104-G107 VanDerWaalsContact O-N 3.15Å; W104-Q108 PolarHBondContact O-N 2.86Å |
| 105 | G | 98.6 | Very high | 98.6 | Very high | 37 Ų | 37 | 60.6 Ų | 60.6 | 38% | 0.381 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.5 | -48 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | H101 G102 G107 Q108 V109 | H101-G105 PolarHBondContact O-N 2.96Å; G102-G105 PolarHBondContact O-N 3.38Å; G105-G107 VanDerWaalsContact C-N 3.32Å; G105-Q108 PolarHBondContact O-N 2.9Å; G105-V109 PolarHBondContact O-N 3.37Å |
| 106 | I | 98.8 | Very high | 98.5 | Very high | 76 Ų | 76 | 62.5 Ų | 62.5 | 39% | 0.39 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.4 | -35.8 | 175.4 | -63.5 | 167.2 | 0 | 0 | 0 | 110.4 | G102 W104 Q108 V109 L110 L127 | G102-I106 WeakPolarHBondContact O-CB 3.42Å; G102-I106 VanDerWaalsContact O-CG1 3.31Å; G102-I106 WeakPolarHBondContact O-CG1 3.33Å; G102-I106 PolarHBondContact O-N 3.37Å; W104-I106 PolarHBondContact O-N 3.02Å; I106-Q108 PolarHBondContact O-N 3.38Å; I106-V109 WeakPolarHBondContact O-CA 3.48Å; I106-V109 WeakPolarHBondContact O-CB 3.43Å; I106-V109 PolarHBondContact O-N 2.92Å; I106-L110 HydrophobicContact CG2-CD1 3.59Å; I106-L110 WeakPolarHBondContact O-CD1 3.31Å; I106-L110 PolarHBondContact O-N 3.14Å; I106-L127 HydrophobicContact CB-CD1 3.86Å; I106-L127 HydrophobicContact CB-CD2 4.43Å; I106-L127 HydrophobicContact CD1-CD1 4.33Å; I106-L127 HydrophobicContact CG2-CD1 3.66Å; I106-L127 HydrophobicContact CG2-CD2 4.21Å |
| 107 | G | 98.5 | Very high | 98.4 | Very high | 15 Ų | 15 | 66.2 Ų | 66.2 | 16% | 0.155 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -55.3 | -38.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | H103 W104 G105 L110 T111 | H103-G107 PolarHBondContact O-N 3.49Å; W104-G107 WeakPolarHBondContact O-CA 3.28Å; W104-G107 PolarHBondContact O-N 3.16Å; W104-G107 VanDerWaalsContact O-N 3.15Å; G105-G107 VanDerWaalsContact C-N 3.32Å; G107-L110 PolarHBondContact O-N 3.36Å; G107-T111 WeakPolarHBondContact O-CB 3.35Å; G107-T111 PolarHBondContact O-N 3.32Å; G107-T111 PolarHBondContact O-OG1 2.91Å |
| 108 | Q | 98.4 | Very high | 98.3 | Very high | 74 Ų | 74 | 70.9 Ų | 70.9 | 35% | 0.346 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 173.4 | -61.5 | -60.7 | -13.9 | 0 | 0 | 111.5 | E68 W104 G105 I106 L110 T111 D112 | E68-Q108 PolarHBondContact OE1-NE2 2.79Å; W104-Q108 PolarHBondContact O-N 2.86Å; G105-Q108 PolarHBondContact O-N 2.9Å; I106-Q108 PolarHBondContact O-N 3.38Å; Q108-L110 VanDerWaalsContact C-N 3.31Å; Q108-L110 PolarHBondContact O-N 2.94Å; Q108-T111 WeakPolarHBondContact O-CB 3.45Å; Q108-T111 PolarHBondContact O-N 2.82Å; Q108-T111 VanDerWaalsContact O-N 3.11Å; Q108-D112 PolarHBondContact O-N 3.01Å |
| 109 | V | 98.7 | Very high | 98.2 | Very high | 79 Ų | 79 | 72.5 Ų | 72.5 | 48% | 0.479 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.2 | -43.4 | 175 | 179.3 | 0 | 0 | 0 | 0 | 111.3 | G105 I106 T111 D112 Y113 | G105-V109 PolarHBondContact O-N 3.37Å; I106-V109 WeakPolarHBondContact O-CA 3.48Å; I106-V109 WeakPolarHBondContact O-CB 3.43Å; I106-V109 PolarHBondContact O-N 2.92Å; V109-T111 VanDerWaalsContact C-N 3.34Å; V109-T111 PolarHBondContact O-N 2.89Å; V109-D112 PolarHBondContact O-N 2.79Å; V109-Y113 HydrophobicContact CG1-CD2 3.92Å; V109-Y113 HydrophobicContact CG1-CE2 4.47Å; V109-Y113 VanDerWaalsContact O-CD2 3.29Å; V109-Y113 WeakPolarHBondContact O-CD2 3.09Å; V109-Y113 PolarHBondContact O-N 2.8Å; V109-Y113 VanDerWaalsContact O-N 3.09Å |
| 110 | L | 98.5 | Very high | 98.2 | Very high | 29 Ų | 29 | 74.4 Ų | 74.4 | 15% | 0.152 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 176.1 | -92.9 | 58.6 | 0 | 0 | 0 | 111.4 | I106 G107 Q108 D112 V114 A123 L127 | I106-L110 HydrophobicContact CG2-CD1 3.59Å; I106-L110 WeakPolarHBondContact O-CD1 3.31Å; I106-L110 PolarHBondContact O-N 3.14Å; G107-L110 PolarHBondContact O-N 3.36Å; Q108-L110 VanDerWaalsContact C-N 3.31Å; Q108-L110 PolarHBondContact O-N 2.94Å; L110-D112 VanDerWaalsContact C-N 3.31Å; L110-D112 PolarHBondContact O-N 3.05Å; L110-V114 HydrophobicContact CG-CG2 4.23Å; L110-V114 VanDerWaalsContact O-CB 3.29Å; L110-V114 WeakPolarHBondContact O-CB 3.31Å; L110-V114 PolarHBondContact O-N 3.32Å; L110-A123 HydrophobicContact CD2-CB 3.68Å; L110-A123 HydrophobicContact CG-CB 4.07Å; L110-L127 HydrophobicContact CD2-CB 4.08Å; L110-L127 HydrophobicContact CD2-CD2 4.02Å |
| 111 | T | 97.4 | Very high | 98.1 | Very high | 99 Ų | 99 | 77.7 Ų | 77.7 | 61% | 0.607 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.2 | -39 | 178.1 | -57.6 | 0 | 0 | 0 | 0 | 112 | G107 Q108 V109 | G107-T111 WeakPolarHBondContact O-CB 3.35Å; G107-T111 PolarHBondContact O-N 3.32Å; G107-T111 PolarHBondContact O-OG1 2.91Å; Q108-T111 WeakPolarHBondContact O-CB 3.45Å; Q108-T111 PolarHBondContact O-N 2.82Å; Q108-T111 VanDerWaalsContact O-N 3.11Å; V109-T111 VanDerWaalsContact C-N 3.34Å; V109-T111 PolarHBondContact O-N 2.89Å |
| 112 | D | 98.4 | Very high | 98.1 | Very high | 96 Ų | 96 | 81 Ų | 81 | 51% | 0.513 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -76.7 | -32.2 | -176.9 | -71.4 | -15.4 | 0 | 0 | 0 | 113.3 | Q108 V109 L110 H115 | Q108-D112 PolarHBondContact O-N 3.01Å; V109-D112 PolarHBondContact O-N 2.79Å; L110-D112 VanDerWaalsContact C-N 3.31Å; L110-D112 PolarHBondContact O-N 3.05Å; D112-H115 PolarHBondContact O-CE1 3.1Å |
| 113 | Y | 98.4 | Very high | 98.1 | Very high | 173 Ų | 173 | 80.9 Ų | 80.9 | 68% | 0.678 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -121 | -21.8 | -166.5 | -63 | -71.4 | 0 | 0 | 0 | 115.2 | V109 H115 | V109-Y113 HydrophobicContact CG1-CD2 3.92Å; V109-Y113 HydrophobicContact CG1-CE2 4.47Å; V109-Y113 VanDerWaalsContact O-CD2 3.29Å; V109-Y113 WeakPolarHBondContact O-CD2 3.09Å; V109-Y113 PolarHBondContact O-N 2.8Å; V109-Y113 VanDerWaalsContact O-N 3.09Å; Y113-H115 PolarHBondContact O-CE1 2.99Å; Y113-H115 PolarHBondContact O-ND1 3.33Å |
| 114 | V | 98.2 | Very high | 98.1 | Very high | 41 Ų | 41 | 82.3 Ų | 82.3 | 25% | 0.248 | 43% | 0.434 | C | S | . | . | trans | -93.3 | 116.9 | 179.3 | -177.1 | 0 | 0 | 0 | 0 | 109.9 | L110 K119 I120 A123 | L110-V114 HydrophobicContact CG-CG2 4.23Å; L110-V114 VanDerWaalsContact O-CB 3.29Å; L110-V114 WeakPolarHBondContact O-CB 3.31Å; L110-V114 PolarHBondContact O-N 3.32Å; V114-K119 HydrophobicContact CG1-CB 3.82Å; V114-I120 HydrophobicContact CG1-CG1 4.17Å; V114-I120 VanDerWaalsContact O-CG1 3.29Å; V114-I120 WeakPolarHBondContact O-CG1 3.25Å; V114-A123 HydrophobicContact CG1-CB 4.25Å; V114-A123 HydrophobicContact CG2-CB 4.44Å | ||
| 115 | H | 97.9 | Very high | 98.1 | Very high | 134 Ų | 134 | 82.3 Ų | 82.3 | 62% | 0.62 | 45% | 0.448 | S | S | * | . | trans | -114.7 | 142.2 | -175.7 | -60.1 | 83.1 | 0 | 0 | 0 | 111.7 | D112 Y113 | D112-H115 PolarHBondContact O-CE1 3.1Å; Y113-H115 PolarHBondContact O-CE1 2.99Å; Y113-H115 PolarHBondContact O-ND1 3.33Å | ||
| 116 | G | 97.5 | Very high | 98.1 | Very high | 40 Ų | 40 | 82.4 Ų | 82.4 | 41% | 0.412 | 45% | 0.449 | S | S | . | . | S | Bend | trans | 97.8 | 124.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | P118 K119 I120 | G116-P118 VanDerWaalsContact C-CD 3.48Å; G116-K119 PolarHBondContact O-N 2.78Å; G116-I120 WeakPolarHBondContact O-CG1 3.45Å; G116-I120 PolarHBondContact O-N 3.46Å |
| 117 | E | 96.2 | Very high | 98.1 | Very high | 120 Ų | 120 | 79.3 Ų | 79.3 | 56% | 0.561 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -40.8 | -51.7 | -177.1 | -77.4 | -62.9 | 120.9 | 0 | 0 | 115.8 | K119 I120 K121 | E117-K119 VanDerWaalsContact C-N 3.34Å; E117-K119 PolarHBondContact O-N 3.08Å; E117-I120 PolarHBondContact O-N 3.46Å; E117-K121 WeakPolarHBondContact O-CG 3.37Å; E117-K121 PolarHBondContact O-N 3.35Å |
| 118 | P | 96.9 | Very high | 98.1 | Very high | 101 Ų | 101 | 84.5 Ų | 84.5 | 66% | 0.656 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -65.7 | -37.1 | -178.8 | 25 | -34.1 | 0 | 0 | 0 | 112.5 | G116 M122 | G116-P118 VanDerWaalsContact C-CD 3.48Å; P118-M122 WeakPolarHBondContact O-CB 3.39Å; P118-M122 PolarHBondContact O-N 3.11Å; P118-M122 VanDerWaalsContact O-N 3.11Å |
| 119 | K | 97.6 | Very high | 98.1 | Very high | 133 Ų | 133 | 86.6 Ų | 86.6 | 58% | 0.578 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -70.7 | -41.9 | 179.2 | -63.4 | -177 | -176.2 | 175.9 | 0 | 111.1 | V114 G116 E117 M122 A123 | V114-K119 HydrophobicContact CG1-CB 3.82Å; G116-K119 PolarHBondContact O-N 2.78Å; E117-K119 VanDerWaalsContact C-N 3.34Å; E117-K119 PolarHBondContact O-N 3.08Å; K119-M122 PolarHBondContact O-N 3.36Å; K119-A123 VanDerWaalsContact O-CB 3.25Å; K119-A123 WeakPolarHBondContact O-CB 3.36Å; K119-A123 PolarHBondContact O-N 3.05Å |
| 120 | I | 98.2 | Very high | 98.1 | Very high | 55 Ų | 55 | 87.5 Ų | 87.5 | 28% | 0.282 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.7 | -48.7 | 176.9 | -67.8 | 169 | 0 | 0 | 0 | 110.3 | V114 G116 E117 M122 A123 N124 | V114-I120 HydrophobicContact CG1-CG1 4.17Å; V114-I120 VanDerWaalsContact O-CG1 3.29Å; V114-I120 WeakPolarHBondContact O-CG1 3.25Å; G116-I120 WeakPolarHBondContact O-CG1 3.45Å; G116-I120 PolarHBondContact O-N 3.46Å; E117-I120 PolarHBondContact O-N 3.46Å; I120-M122 PolarHBondContact O-N 2.91Å; I120-A123 PolarHBondContact O-N 3.46Å; I120-N124 WeakPolarHBondContact O-CB 3.3Å; I120-N124 PolarHBondContact O-N 2.81Å; I120-N124 PolarHBondContact O-ND2 2.92Å |
| 121 | K | 97.8 | Very high | 98.1 | Very high | 139 Ų | 139 | 86.8 Ų | 86.8 | 60% | 0.604 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.9 | -45.5 | 178.8 | -72.5 | 178.7 | -177.9 | 179.4 | 0 | 112.1 | E117 A125 | E117-K121 WeakPolarHBondContact O-CG 3.37Å; E117-K121 PolarHBondContact O-N 3.35Å; K121-A125 WeakPolarHBondContact O-CB 3.33Å; K121-A125 PolarHBondContact O-N 3.08Å |
| 122 | M | 98.4 | Very high | 98.2 | Very high | 140 Ų | 140 | 86.2 Ų | 86.2 | 69% | 0.69 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.4 | -44.1 | 178.2 | -173.8 | 179.3 | 68.5 | 0 | 0 | 112 | P118 K119 I120 A125 G126 | P118-M122 WeakPolarHBondContact O-CB 3.39Å; P118-M122 PolarHBondContact O-N 3.11Å; P118-M122 VanDerWaalsContact O-N 3.11Å; K119-M122 PolarHBondContact O-N 3.36Å; I120-M122 PolarHBondContact O-N 2.91Å; M122-A125 PolarHBondContact O-N 2.82Å; M122-G126 PolarHBondContact O-N 3.33Å |
| 123 | A | 98.5 | Very high | 98.2 | Very high | 27 Ų | 27 | 86 Ų | 86 | 22% | 0.223 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L110 V114 K119 I120 G126 L127 | L110-A123 HydrophobicContact CD2-CB 3.68Å; L110-A123 HydrophobicContact CG-CB 4.07Å; V114-A123 HydrophobicContact CG1-CB 4.25Å; V114-A123 HydrophobicContact CG2-CB 4.44Å; K119-A123 VanDerWaalsContact O-CB 3.25Å; K119-A123 WeakPolarHBondContact O-CB 3.36Å; K119-A123 PolarHBondContact O-N 3.05Å; I120-A123 PolarHBondContact O-N 3.46Å; A123-G126 PolarHBondContact O-N 3.29Å; A123-L127 WeakPolarHBondContact O-CB 3.42Å; A123-L127 PolarHBondContact O-N 3.02Å |
| 124 | N | 98.3 | Very high | 98.2 | Very high | 58 Ų | 58 | 80.5 Ų | 80.5 | 31% | 0.31 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 176.2 | -75.4 | -28.5 | 0 | 0 | 0 | 112.1 | I120 G126 L127 F128 | I120-N124 WeakPolarHBondContact O-CB 3.3Å; I120-N124 PolarHBondContact O-N 2.81Å; I120-N124 PolarHBondContact O-ND2 2.92Å; N124-G126 VanDerWaalsContact C-N 3.34Å; N124-G126 PolarHBondContact O-N 3.44Å; N124-L127 PolarHBondContact O-N 2.99Å; N124-F128 WeakPolarHBondContact O-CD2 3.4Å; N124-F128 PolarHBondContact O-N 3.15Å |
| 125 | A | 98.6 | Very high | 98.3 | Very high | 62 Ų | 62 | 82.8 Ų | 82.8 | 51% | 0.512 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K121 M122 F128 L129 | K121-A125 WeakPolarHBondContact O-CB 3.33Å; K121-A125 PolarHBondContact O-N 3.08Å; M122-A125 PolarHBondContact O-N 2.82Å; A125-F128 PolarHBondContact O-N 3.09Å; A125-L129 PolarHBondContact O-N 2.71Å |
| 126 | G | 98.8 | Very high | 98.3 | Very high | 39 Ų | 39 | 79 Ų | 79 | 40% | 0.402 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | M122 A123 N124 L129 L130 | M122-G126 PolarHBondContact O-N 3.33Å; A123-G126 PolarHBondContact O-N 3.29Å; N124-G126 VanDerWaalsContact C-N 3.34Å; N124-G126 PolarHBondContact O-N 3.44Å; G126-L129 PolarHBondContact O-N 3.44Å; G126-L130 VanDerWaalsContact O-CB 3.31Å; G126-L130 WeakPolarHBondContact O-CB 3.1Å; G126-L130 PolarHBondContact O-N 2.91Å |
| 127 | L | 98.8 | Very high | 98.4 | Very high | 11 Ų | 11 | 78.9 Ų | 78.9 | 6% | 0.058 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 176.2 | 176.3 | 59.6 | 0 | 0 | 0 | 112 | I106 L110 A123 N124 S131 | I106-L127 HydrophobicContact CB-CD1 3.86Å; I106-L127 HydrophobicContact CB-CD2 4.43Å; I106-L127 HydrophobicContact CD1-CD1 4.33Å; I106-L127 HydrophobicContact CG2-CD1 3.66Å; I106-L127 HydrophobicContact CG2-CD2 4.21Å; L110-L127 HydrophobicContact CD2-CB 4.08Å; L110-L127 HydrophobicContact CD2-CD2 4.02Å; A123-L127 WeakPolarHBondContact O-CB 3.42Å; A123-L127 PolarHBondContact O-N 3.02Å; N124-L127 PolarHBondContact O-N 2.99Å; L127-S131 VanDerWaalsContact O-CB 3.31Å; L127-S131 WeakPolarHBondContact O-CB 3.16Å; L127-S131 PolarHBondContact O-N 2.89Å; L127-S131 PolarHBondContact O-OG 3.47Å |
| 128 | F | 98.6 | Very high | 98.5 | Very high | 124 Ų | 124 | 75.1 Ų | 75.1 | 54% | 0.544 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 174.7 | -94.5 | -73.5 | 0 | 0 | 0 | 112 | H103 N124 A125 S131 T132 | H103-F128 AromaticContact CE1-CD1 3.89Å; H103-F128 AromaticContact CE1-CE1 3.94Å; H103-F128 AromaticContact NE2-CE1 3.91Å; H103-F128 AromaticContact NE2-CZ 3.85Å; N124-F128 WeakPolarHBondContact O-CD2 3.4Å; N124-F128 PolarHBondContact O-N 3.15Å; A125-F128 PolarHBondContact O-N 3.09Å; F128-S131 PolarHBondContact O-N 3.28Å; F128-T132 WeakPolarHBondContact O-CB 3.25Å; F128-T132 PolarHBondContact O-N 3.46Å; F128-T132 PolarHBondContact O-OG1 2.86Å |
| 129 | L | 98.8 | Very high | 98.6 | Very high | 118 Ų | 118 | 71.6 Ų | 71.6 | 62% | 0.618 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -60.6 | -50.2 | 177 | 177.4 | 62.5 | 0 | 0 | 0 | 110.9 | A125 G126 S131 T132 V133 | A125-L129 PolarHBondContact O-N 2.71Å; G126-L129 PolarHBondContact O-N 3.44Å; L129-S131 VanDerWaalsContact C-N 3.35Å; L129-S131 PolarHBondContact O-N 2.91Å; L129-T132 PolarHBondContact O-N 3.35Å; L129-V133 HydrophobicContact CD1-CG2 4.04Å; L129-V133 WeakPolarHBondContact O-CB 3.49Å; L129-V133 WeakPolarHBondContact O-CG2 3.47Å; L129-V133 PolarHBondContact O-N 3.32Å |
| 130 | L | 98.8 | Very high | 98.7 | Very high | 98 Ų | 98 | 72.8 Ų | 72.8 | 51% | 0.513 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -55.6 | -51.1 | 178.3 | 177.2 | 61.9 | 0 | 0 | 0 | 110.8 | G126 T132 V133 T134 | G126-L130 VanDerWaalsContact O-CB 3.31Å; G126-L130 WeakPolarHBondContact O-CB 3.1Å; G126-L130 PolarHBondContact O-N 2.91Å; L130-T132 VanDerWaalsContact C-N 3.33Å; L130-T132 PolarHBondContact O-N 2.94Å; L130-V133 PolarHBondContact O-N 3.42Å; L130-T134 WeakPolarHBondContact O-CB 3.42Å; L130-T134 PolarHBondContact O-N 3.41Å; L130-T134 PolarHBondContact O-OG1 2.88Å |
| 131 | S | 98.8 | Very high | 98.7 | Very high | 15 Ų | 15 | 73.1 Ų | 73.1 | 11% | 0.105 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -65.3 | -38.1 | -177.3 | -53 | 0 | 0 | 0 | 0 | 112 | T99 H103 L127 F128 L129 T134 F135 | T99-S131 VanDerWaalsContact CG2-O 3.27Å; T99-S131 WeakPolarHBondContact CG2-O 3.46Å; H103-S131 WeakPolarHBondContact ND1-CB 3.22Å; H103-S131 PolarHBondContact ND1-OG 3.24Å; L127-S131 VanDerWaalsContact O-CB 3.31Å; L127-S131 WeakPolarHBondContact O-CB 3.16Å; L127-S131 PolarHBondContact O-N 2.89Å; L127-S131 PolarHBondContact O-OG 3.47Å; F128-S131 PolarHBondContact O-N 3.28Å; L129-S131 VanDerWaalsContact C-N 3.35Å; L129-S131 PolarHBondContact O-N 2.91Å; S131-T134 PolarHBondContact O-N 3.41Å; S131-F135 WeakPolarHBondContact O-CB 3.48Å; S131-F135 PolarHBondContact O-N 3.22Å |
| 132 | T | 98.8 | Very high | 98.7 | Very high | 86 Ų | 86 | 67.4 Ų | 67.4 | 53% | 0.528 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.4 | -46.8 | 176.8 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | F128 L129 L130 F135 A136 | F128-T132 WeakPolarHBondContact O-CB 3.25Å; F128-T132 PolarHBondContact O-N 3.46Å; F128-T132 PolarHBondContact O-OG1 2.86Å; L129-T132 PolarHBondContact O-N 3.35Å; L130-T132 VanDerWaalsContact C-N 3.33Å; L130-T132 PolarHBondContact O-N 2.94Å; T132-F135 PolarHBondContact O-N 2.74Å; T132-A136 VanDerWaalsContact O-CB 3.25Å; T132-A136 WeakPolarHBondContact O-CB 3.44Å; T132-A136 PolarHBondContact O-N 2.84Å |
| 133 | V | 98.9 | Very high | 98.7 | Very high | 91 Ų | 91 | 69.4 Ų | 69.4 | 55% | 0.552 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63.6 | -42.5 | 177.2 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | L129 L130 G137 | L129-V133 HydrophobicContact CD1-CG2 4.04Å; L129-V133 WeakPolarHBondContact O-CB 3.49Å; L129-V133 WeakPolarHBondContact O-CG2 3.47Å; L129-V133 PolarHBondContact O-N 3.32Å; L130-V133 PolarHBondContact O-N 3.42Å; V133-G137 PolarHBondContact O-N 2.82Å |
| 134 | T | 98.9 | Very high | 98.7 | Very high | 59 Ų | 59 | 72.5 Ų | 72.5 | 36% | 0.362 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.7 | -50.3 | 175.6 | -61 | 0 | 0 | 0 | 0 | 111.4 | T99 L130 S131 G137 L138 | T99-T134 HydrophobicContact CG2-CG2 4.26Å; L130-T134 WeakPolarHBondContact O-CB 3.42Å; L130-T134 PolarHBondContact O-N 3.41Å; L130-T134 PolarHBondContact O-OG1 2.88Å; S131-T134 PolarHBondContact O-N 3.41Å; T134-G137 PolarHBondContact O-N 2.92Å; T134-L138 HydrophobicContact CG2-CD1 4.06Å; T134-L138 HydrophobicContact CG2-CG 4.49Å; T134-L138 WeakPolarHBondContact O-CG 3.35Å; T134-L138 PolarHBondContact O-N 2.78Å |
| 135 | F | 98.9 | Very high | 98.7 | Very high | 89 Ų | 89 | 74.3 Ų | 74.3 | 39% | 0.39 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.9 | -46.3 | -179.9 | -179.6 | -117 | 0 | 0 | 0 | 111.7 | A95 A96 T99 S131 T132 G137 L138 C139 | A95-F135 HydrophobicContact CB-CE2 4.45Å; A96-F135 HydrophobicContact CB-CE2 3.93Å; T99-F135 HydrophobicContact CG2-CB 3.84Å; S131-F135 WeakPolarHBondContact O-CB 3.48Å; S131-F135 PolarHBondContact O-N 3.22Å; T132-F135 PolarHBondContact O-N 2.74Å; F135-G137 VanDerWaalsContact C-N 3.33Å; F135-G137 PolarHBondContact O-N 3.49Å; F135-L138 PolarHBondContact O-N 3.11Å; F135-C139 VanDerWaalsContact CE2-SG 3.51Å; F135-C139 WeakPolarHBondContact CZ-SG 3.29Å; F135-C139 WeakPolarHBondContact O-CB 3.4Å; F135-C139 PolarHBondContact O-N 3.37Å; F135-C139 PolarHBondContact O-SG 3.5Å; F135-C139 VanDerWaalsContact O-SG 3.38Å |
| 136 | A | 98.8 | Very high | 98.7 | Very high | 53 Ų | 53 | 74.7 Ų | 74.7 | 44% | 0.438 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | T132 C139 Y140 | T132-A136 VanDerWaalsContact O-CB 3.25Å; T132-A136 WeakPolarHBondContact O-CB 3.44Å; T132-A136 PolarHBondContact O-N 2.84Å; A136-C139 PolarHBondContact O-N 2.84Å; A136-Y140 VanDerWaalsContact O-CB 3.25Å; A136-Y140 WeakPolarHBondContact O-CB 3.31Å; A136-Y140 PolarHBondContact O-N 3.47Å |
| 137 | G | 98.9 | Very high | 98.7 | Very high | 38 Ų | 38 | 72.9 Ų | 72.9 | 39% | 0.392 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V133 T134 F135 Y140 F141 | V133-G137 PolarHBondContact O-N 2.82Å; T134-G137 PolarHBondContact O-N 2.92Å; F135-G137 VanDerWaalsContact C-N 3.33Å; F135-G137 PolarHBondContact O-N 3.49Å; G137-Y140 PolarHBondContact O-N 2.9Å; G137-F141 WeakPolarHBondContact O-CB 3.25Å; G137-F141 PolarHBondContact O-N 3.32Å |
| 138 | L | 98.8 | Very high | 98.7 | Very high | 41 Ų | 41 | 73.9 Ų | 73.9 | 22% | 0.215 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.3 | -41 | 175.4 | -69.4 | 175 | 0 | 0 | 0 | 111.9 | A95 T134 F135 F141 N142 I148 | A95-L138 HydrophobicContact CB-CB 3.75Å; A95-L138 HydrophobicContact CB-CD1 4.29Å; T134-L138 HydrophobicContact CG2-CD1 4.06Å; T134-L138 HydrophobicContact CG2-CG 4.49Å; T134-L138 WeakPolarHBondContact O-CG 3.35Å; T134-L138 PolarHBondContact O-N 2.78Å; F135-L138 PolarHBondContact O-N 3.11Å; L138-F141 PolarHBondContact O-N 3.27Å; L138-N142 WeakPolarHBondContact O-CB 3.5Å; L138-N142 VanDerWaalsContact O-CG 3.24Å; L138-N142 PolarHBondContact O-N 3.48Å; L138-N142 PolarHBondContact O-ND2 2.92Å; L138-I148 HydrophobicContact CD2-CD1 4.18Å; L138-I148 HydrophobicContact CD2-CG1 4.42Å |
| 139 | C | 98.8 | Very high | 98.7 | Very high | 27 Ų | 27 | 68.6 Ų | 68.6 | 18% | 0.182 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 174.5 | -75.9 | 0 | 0 | 0 | 0 | 112.2 | Y92 F135 A136 N142 Y143 | Y92-C139 HydrophobicContact CE1-CB 4.05Å; F135-C139 VanDerWaalsContact CE2-SG 3.51Å; F135-C139 WeakPolarHBondContact CZ-SG 3.29Å; F135-C139 WeakPolarHBondContact O-CB 3.4Å; F135-C139 PolarHBondContact O-N 3.37Å; F135-C139 PolarHBondContact O-SG 3.5Å; F135-C139 VanDerWaalsContact O-SG 3.38Å; A136-C139 PolarHBondContact O-N 2.84Å; C139-N142 PolarHBondContact O-N 2.91Å; C139-Y143 WeakPolarHBondContact O-CB 3.49Å; C139-Y143 PolarHBondContact O-N 3.29Å |
| 140 | Y | 98.8 | Very high | 98.6 | Very high | 159 Ų | 159 | 68.3 Ų | 68.3 | 62% | 0.624 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.8 | -45.5 | 174.7 | 178.8 | -88.8 | 0 | 0 | 0 | 110.8 | A136 G137 Y143 N144 | A136-Y140 VanDerWaalsContact O-CB 3.25Å; A136-Y140 WeakPolarHBondContact O-CB 3.31Å; A136-Y140 PolarHBondContact O-N 3.47Å; G137-Y140 PolarHBondContact O-N 2.9Å; Y140-Y143 PolarHBondContact O-N 2.74Å; Y140-Y143 VanDerWaalsContact O-N 3.16Å; Y140-N144 HydrophobicContact CD1-CB 4.46Å; Y140-N144 WeakPolarHBondContact CD2-ND2 3.38Å; Y140-N144 HydrophobicContact CE1-CB 4.03Å; Y140-N144 HydrophobicContact CE2-CB 4.28Å; Y140-N144 WeakPolarHBondContact CE2-ND2 3.33Å; Y140-N144 WeakPolarHBondContact O-CB 3.39Å; Y140-N144 PolarHBondContact O-N 2.94Å; Y140-N144 PolarHBondContact O-ND2 2.91Å |
| 141 | F | 98.8 | Very high | 98.6 | Very high | 62 Ų | 62 | 64.9 Ų | 64.9 | 27% | 0.272 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 176.2 | -177.1 | -101.2 | 0 | 0 | 0 | 112.1 | G137 L138 Y143 D145 V146 I148 A151 | G137-F141 WeakPolarHBondContact O-CB 3.25Å; G137-F141 PolarHBondContact O-N 3.32Å; L138-F141 PolarHBondContact O-N 3.27Å; F141-Y143 VanDerWaalsContact C-N 3.26Å; F141-Y143 PolarHBondContact O-N 3.33Å; F141-D145 HydrophobicContact CD2-CB 3.62Å; F141-D145 HydrophobicContact CE2-CB 3.67Å; F141-D145 VanDerWaalsContact CE2-OD2 3.28Å; F141-D145 WeakPolarHBondContact CE2-OD2 3.31Å; F141-D145 HydrophobicContact CG-CB 4.25Å; F141-D145 HydrophobicContact CZ-CB 4.33Å; F141-D145 CarbonylContact O-C 3.43Å; F141-D145 WeakPolarHBondContact O-CA 3.27Å; F141-D145 VanDerWaalsContact O-CB 3.22Å; F141-D145 WeakPolarHBondContact O-CB 3.29Å; F141-D145 PolarHBondContact O-N 3.27Å; F141-V146 HydrophobicContact CZ-CG2 4.08Å; F141-I148 HydrophobicContact CD1-CG1 4.38Å; F141-A151 HydrophobicContact CE1-CB 3.65Å; F141-A151 HydrophobicContact CZ-CB 3.57Å |
| 142 | N | 98.7 | Very high | 98.6 | Very high | 19 Ų | 19 | 68.1 Ų | 68.1 | 10% | 0.102 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.1 | -28.2 | 174.7 | -72.9 | -17.9 | 0 | 0 | 0 | 113.6 | D91 Y92 L138 C139 G147 I148 | D91-N142 VanDerWaalsContact C-ND2 3.25Å; D91-N142 PolarHBondContact O-ND2 3.13Å; Y92-N142 HydrophobicContact CD1-CB 4.32Å; Y92-N142 HydrophobicContact CE1-CB 3.82Å; Y92-N142 HydrophobicContact CE2-CB 4.17Å; L138-N142 WeakPolarHBondContact O-CB 3.5Å; L138-N142 VanDerWaalsContact O-CG 3.24Å; L138-N142 PolarHBondContact O-N 3.48Å; L138-N142 PolarHBondContact O-ND2 2.92Å; C139-N142 PolarHBondContact O-N 2.91Å; N142-G147 WeakPolarHBondContact OD1-CA 3.29Å; N142-I148 WeakPolarHBondContact OD1-CG1 3.35Å; N142-I148 PolarHBondContact OD1-N 2.96Å; N142-I148 VanDerWaalsContact OD1-N 3.1Å |
| 143 | Y | 98.6 | Very high | 98.5 | Very high | 182 Ų | 182 | 66.5 Ų | 66.5 | 71% | 0.714 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -89.8 | -41.5 | -177.8 | -168.1 | -96.6 | 0 | 0 | 0 | 113.3 | Y92 C139 Y140 F141 | Y92-Y143 WeakPolarHBondContact OH-CB 3.36Å; Y92-Y143 PolarHBondContact OH-N 2.87Å; C139-Y143 WeakPolarHBondContact O-CB 3.49Å; C139-Y143 PolarHBondContact O-N 3.29Å; Y140-Y143 PolarHBondContact O-N 2.74Å; Y140-Y143 VanDerWaalsContact O-N 3.16Å; F141-Y143 VanDerWaalsContact C-N 3.26Å; F141-Y143 PolarHBondContact O-N 3.33Å |
| 144 | N | 98.6 | Very high | 98.5 | Very high | 92 Ų | 92 | 65.7 Ų | 65.7 | 49% | 0.492 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -105.7 | -8.8 | -169.8 | -59.7 | -87.8 | 0 | 0 | 0 | 113.3 | Y140 | Y140-N144 HydrophobicContact CD1-CB 4.46Å; Y140-N144 WeakPolarHBondContact CD2-ND2 3.38Å; Y140-N144 HydrophobicContact CE1-CB 4.03Å; Y140-N144 HydrophobicContact CE2-CB 4.28Å; Y140-N144 WeakPolarHBondContact CE2-ND2 3.33Å; Y140-N144 WeakPolarHBondContact O-CB 3.39Å; Y140-N144 PolarHBondContact O-N 2.94Å; Y140-N144 PolarHBondContact O-ND2 2.91Å |
| 145 | D | 98.3 | Very high | 98.4 | Very high | 95 Ų | 95 | 68.7 Ų | 68.7 | 51% | 0.508 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -129.8 | -168.1 | -179.6 | -150.2 | -32.9 | 0 | 0 | 0 | 109.9 | F141 G147 | F141-D145 HydrophobicContact CD2-CB 3.62Å; F141-D145 HydrophobicContact CE2-CB 3.67Å; F141-D145 VanDerWaalsContact CE2-OD2 3.28Å; F141-D145 WeakPolarHBondContact CE2-OD2 3.31Å; F141-D145 HydrophobicContact CG-CB 4.25Å; F141-D145 HydrophobicContact CZ-CB 4.33Å; F141-D145 CarbonylContact O-C 3.43Å; F141-D145 WeakPolarHBondContact O-CA 3.27Å; F141-D145 VanDerWaalsContact O-CB 3.22Å; F141-D145 WeakPolarHBondContact O-CB 3.29Å; F141-D145 PolarHBondContact O-N 3.27Å; D145-G147 PolarHBondContact O-N 2.93Å |
| 146 | V | 97.8 | Very high | 98.3 | Very high | 70 Ų | 70 | 75.3 Ų | 75.3 | 42% | 0.424 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -67.3 | -15.8 | -173.5 | -63 | 0 | 0 | 0 | 0 | 114.9 | F141 K150 A151 L154 | F141-V146 HydrophobicContact CZ-CG2 4.08Å; V146-K150 HydrophobicContact CB-CB 4.3Å; V146-K150 HydrophobicContact CB-CG 4.15Å; V146-K150 WeakPolarHBondContact O-CB 3.25Å; V146-A151 HydrophobicContact CG2-CB 3.87Å; V146-L154 HydrophobicContact CG1-CD1 4.34Å; V146-L154 HydrophobicContact CG2-CD1 4.39Å |
| 147 | G | 98.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 77.1 Ų | 77.1 | 1% | 0.01 | 40% | 0.398 | C | S | . | . | trans | 83 | 155.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | N142 D145 C149 K150 A151 | N142-G147 WeakPolarHBondContact OD1-CA 3.29Å; D145-G147 PolarHBondContact O-N 2.93Å; G147-C149 PolarHBondContact O-N 3.39Å; G147-K150 PolarHBondContact O-N 2.96Å; G147-A151 WeakPolarHBondContact O-CB 3.47Å; G147-A151 PolarHBondContact O-N 2.86Å | ||
| 148 | I | 98.6 | Very high | 97 | Very high | 32 Ų | 32 | 86.6 Ų | 86.6 | 16% | 0.164 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -55.8 | -52.5 | -169 | -67.7 | 159.4 | 0 | 0 | 0 | 112.5 | D91 L94 A95 L138 F141 N142 K150 A151 V152 | D91-I148 PolarHBondContact OD1-N 3.34Å; L94-I148 HydrophobicContact CB-CD1 4.46Å; L94-I148 HydrophobicContact CD1-CG2 4.23Å; A95-I148 HydrophobicContact CB-CD1 4.03Å; L138-I148 HydrophobicContact CD2-CD1 4.18Å; L138-I148 HydrophobicContact CD2-CG1 4.42Å; F141-I148 HydrophobicContact CD1-CG1 4.38Å; N142-I148 WeakPolarHBondContact OD1-CG1 3.35Å; N142-I148 PolarHBondContact OD1-N 2.96Å; N142-I148 VanDerWaalsContact OD1-N 3.1Å; I148-K150 PolarHBondContact O-N 2.98Å; I148-A151 PolarHBondContact O-N 3.07Å; I148-V152 WeakPolarHBondContact O-CG2 3.35Å; I148-V152 PolarHBondContact O-N 3.27Å |
| 149 | C | 98.5 | Very high | 97 | Very high | 14 Ų | 14 | 88.9 Ų | 88.9 | 10% | 0.095 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -59.8 | -47.1 | -176.5 | -67.3 | 0 | 0 | 0 | 0 | 110.9 | P86 D91 G147 V152 A153 | P86-C149 HydrophobicContact CB-CB 3.88Å; D91-C149 VanDerWaalsContact OD1-CB 3.31Å; D91-C149 WeakPolarHBondContact OD1-CB 3.33Å; D91-C149 PolarHBondContact OD1-N 3.35Å; D91-C149 PolarHBondContact OD1-SG 3.44Å; G147-C149 PolarHBondContact O-N 3.39Å; C149-V152 PolarHBondContact O-N 3.33Å; C149-A153 PolarHBondContact O-N 2.97Å; C149-A153 VanDerWaalsContact O-N 3.08Å |
| 150 | K | 98.1 | Very high | 96.9 | Very high | 112 Ų | 112 | 92.2 Ų | 92.2 | 49% | 0.487 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -70.3 | -37.8 | -179.9 | -174.2 | 57.5 | 175.6 | 177.9 | 0 | 111.8 | V146 G147 I148 V152 A153 L154 | V146-K150 HydrophobicContact CB-CB 4.3Å; V146-K150 HydrophobicContact CB-CG 4.15Å; V146-K150 WeakPolarHBondContact O-CB 3.25Å; G147-K150 PolarHBondContact O-N 2.96Å; I148-K150 PolarHBondContact O-N 2.98Å; K150-V152 VanDerWaalsContact C-N 3.34Å; K150-V152 PolarHBondContact O-N 3.07Å; K150-A153 PolarHBondContact O-N 3.36Å; K150-L154 HydrophobicContact CD-CG 4.29Å; K150-L154 HydrophobicContact CG-CD1 4.13Å; K150-L154 HydrophobicContact CG-CG 4.32Å; K150-L154 WeakPolarHBondContact O-CB 3.4Å; K150-L154 WeakPolarHBondContact O-CG 3.48Å; K150-L154 PolarHBondContact O-N 3.36Å |
| 151 | A | 98.4 | Very high | 96.7 | Very high | 25 Ų | 25 | 88.4 Ų | 88.4 | 21% | 0.207 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F141 V146 G147 I148 A153 L154 L155 | F141-A151 HydrophobicContact CE1-CB 3.65Å; F141-A151 HydrophobicContact CZ-CB 3.57Å; V146-A151 HydrophobicContact CG2-CB 3.87Å; G147-A151 WeakPolarHBondContact O-CB 3.47Å; G147-A151 PolarHBondContact O-N 2.86Å; I148-A151 PolarHBondContact O-N 3.07Å; A151-A153 PolarHBondContact O-N 3.46Å; A151-L154 PolarHBondContact O-N 2.85Å; A151-L155 WeakPolarHBondContact O-CB 3.39Å; A151-L155 PolarHBondContact O-N 3.11Å |
| 152 | V | 98.1 | Very high | 96.6 | Very high | 84 Ų | 84 | 90 Ų | 90 | 51% | 0.509 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 175.9 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | I148 C149 K150 L154 L155 W156 | I148-V152 WeakPolarHBondContact O-CG2 3.35Å; I148-V152 PolarHBondContact O-N 3.27Å; C149-V152 PolarHBondContact O-N 3.33Å; K150-V152 VanDerWaalsContact C-N 3.34Å; K150-V152 PolarHBondContact O-N 3.07Å; V152-L154 PolarHBondContact O-N 3.38Å; V152-L155 PolarHBondContact O-N 3.1Å; V152-W156 WeakPolarHBondContact O-CB 3.39Å; V152-W156 PolarHBondContact O-N 2.76Å |
| 153 | A | 97.7 | Very high | 96.5 | Very high | 51 Ų | 51 | 94.4 Ų | 94.4 | 42% | 0.421 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | C149 K150 A151 W156 S157 | C149-A153 PolarHBondContact O-N 2.97Å; C149-A153 VanDerWaalsContact O-N 3.08Å; K150-A153 PolarHBondContact O-N 3.36Å; A151-A153 PolarHBondContact O-N 3.46Å; A153-W156 PolarHBondContact O-N 2.81Å; A153-S157 WeakPolarHBondContact O-CB 3.41Å; A153-S157 PolarHBondContact O-N 2.85Å; A153-S157 PolarHBondContact O-OG 2.97Å |
| 154 | L | 98 | Very high | 96.4 | Very high | 74 Ų | 74 | 88.6 Ų | 88.6 | 39% | 0.387 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.2 | -37.4 | 176.7 | -71.3 | 174.2 | 0 | 0 | 0 | 112.2 | V146 K150 A151 V152 W156 S157 | V146-L154 HydrophobicContact CG1-CD1 4.34Å; V146-L154 HydrophobicContact CG2-CD1 4.39Å; K150-L154 HydrophobicContact CD-CG 4.29Å; K150-L154 HydrophobicContact CG-CD1 4.13Å; K150-L154 HydrophobicContact CG-CG 4.32Å; K150-L154 WeakPolarHBondContact O-CB 3.4Å; K150-L154 WeakPolarHBondContact O-CG 3.48Å; K150-L154 PolarHBondContact O-N 3.36Å; A151-L154 PolarHBondContact O-N 2.85Å; V152-L154 PolarHBondContact O-N 3.38Å; L154-W156 VanDerWaalsContact C-N 3.31Å; L154-S157 WeakPolarHBondContact CA-OG 3.41Å; L154-S157 PolarHBondContact O-N 3.17Å; L154-S157 PolarHBondContact O-OG 3.42Å |
| 155 | L | 97.6 | Very high | 96.2 | Very high | 123 Ų | 123 | 88.4 Ų | 88.4 | 64% | 0.644 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.8 | -39.2 | 175.4 | -179.1 | 63.7 | 0 | 0 | 0 | 111.3 | A151 V152 | A151-L155 WeakPolarHBondContact O-CB 3.39Å; A151-L155 PolarHBondContact O-N 3.11Å; V152-L155 PolarHBondContact O-N 3.1Å |
| 156 | W | 97 | Very high | 96 | Very high | 227 Ų | 227 | 87.8 Ų | 87.8 | 86% | 0.86 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -83.7 | -11.5 | -178.7 | -150.1 | -95.4 | 0 | 0 | 0 | 114.3 | V152 A153 L154 K158 | V152-W156 WeakPolarHBondContact O-CB 3.39Å; V152-W156 PolarHBondContact O-N 2.76Å; A153-W156 PolarHBondContact O-N 2.81Å; L154-W156 VanDerWaalsContact C-N 3.31Å; W156-K158 VanDerWaalsContact C-N 3.32Å |
| 157 | S | 93.8 | Very high | 95.9 | Very high | 92 Ų | 92 | 89.3 Ų | 89.3 | 64% | 0.643 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 2.5 | 173.2 | 65.9 | 0 | 0 | 0 | 0 | 113.7 | A153 L154 | A153-S157 WeakPolarHBondContact O-CB 3.41Å; A153-S157 PolarHBondContact O-N 2.85Å; A153-S157 PolarHBondContact O-OG 2.97Å; L154-S157 WeakPolarHBondContact CA-OG 3.41Å; L154-S157 PolarHBondContact O-N 3.17Å; L154-S157 PolarHBondContact O-OG 3.42Å |
| 158 | K | 76.7 | Confident | 95.7 | Very high | 237 Ų | 237 | 97.4 Ų | 97.4 | 100% | 1.03 | 50% | 0.495 | S | S | * | . | trans | -95.6 | 0 | 171 | -73.1 | -169.9 | 178.2 | 174.8 | 0 | 110 | W156 | W156-K158 VanDerWaalsContact C-N 3.32Š|
Retrieved 158 of 158 residues in 36.2 ms
(Link to these results)