| 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 | 41.7 | Very low | 49.8 | Very low | 241 Ų | 241 | 150.2 Ų | 150.2 | 100% | 1.187 | 84% | 0.839 | S | S | * | * | 0 | 93.7 | 0 | -61.2 | 170.5 | 97.6 | 0 | 0 | 106.6 | |||||
| 2 | S | 41.8 | Very low | 49.8 | Very low | 118 Ų | 118 | 149.8 Ų | 149.8 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | trans | -92.7 | 120.7 | -176.3 | -58.9 | 0 | 0 | 0 | 0 | 109.4 | V4 | S2-V4 PolarHBondContact O-N 2.79Š| ||
| 3 | L | 53.2 | Low | 49.8 | Very low | 184 Ų | 184 | 150.9 Ų | 150.9 | 96% | 0.963 | 83% | 0.829 | S | S | * | * | trans | -91.9 | 91.1 | 173.7 | -68.3 | 171 | 0 | 0 | 0 | 108.6 | ||||
| 4 | V | 53.2 | Low | 49.6 | Very low | 138 Ų | 138 | 151.2 Ų | 151.2 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | trans | -91.6 | 114.9 | 168.5 | 63.7 | 0 | 0 | 0 | 0 | 108.5 | S2 | S2-V4 PolarHBondContact O-N 2.79Š| ||
| 5 | S | 51.1 | Low | 49.7 | Very low | 95 Ų | 95 | 153.7 Ų | 153.7 | 66% | 0.664 | 83% | 0.825 | S | S | * | * | trans | -68.8 | 124.5 | 175.3 | -178.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 6 | G | 45.2 | Very low | 49.5 | Very low | 74 Ų | 74 | 154.9 Ų | 154.9 | 76% | 0.763 | 82% | 0.823 | S | S | * | * | trans | -86.6 | 127 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 7 | Y | 50.9 | Low | 49.3 | Very low | 211 Ų | 211 | 152.8 Ų | 152.8 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | trans | -114.1 | 127.4 | 163.9 | -88.7 | -89 | 0 | 0 | 0 | 108.7 | ||||
| 8 | P | 56.8 | Low | 48.8 | Very low | 116 Ų | 116 | 151.1 Ų | 151.1 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 137.2 | 171.2 | 29.7 | -29.1 | 0 | 0 | 0 | 111.7 | ||
| 9 | H | 49.3 | Very low | 48.8 | Very low | 192 Ų | 192 | 150.3 Ų | 150.3 | 89% | 0.889 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 133.9 | 177.5 | -125.1 | -107.4 | 0 | 0 | 0 | 111.5 | ||
| 10 | H | 50.1 | Low | 48.6 | Very low | 173 Ų | 173 | 151.9 Ų | 151.9 | 80% | 0.801 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 138.2 | 165.8 | -74.6 | -81.9 | 0 | 0 | 0 | 110.4 | ||
| 11 | P | 54.9 | Low | 48.3 | Very low | 110 Ų | 110 | 153.7 Ų | 153.7 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 137.7 | 176.4 | 30.7 | -31.5 | 0 | 0 | 0 | 112.6 | ||
| 12 | I | 49.2 | Very low | 48 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 124.1 | 173.5 | -70 | 163.6 | 0 | 0 | 0 | 109.2 | ||
| 13 | M | 49.9 | Very low | 48 | Very low | 165 Ų | 165 | 149.5 Ų | 149.5 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -86.1 | 114.4 | 167.3 | -75.2 | -76.9 | 103.2 | 0 | 0 | 109.4 | ||||
| 14 | H | 47.7 | Very low | 47.6 | Very low | 155 Ų | 155 | 150.1 Ų | 150.1 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | trans | -74.8 | 125.4 | 166.8 | -94.8 | -102.8 | 0 | 0 | 0 | 109.8 | ||||
| 15 | H | 51.1 | Low | 46.8 | Very low | 189 Ų | 189 | 147.7 Ų | 147.7 | 88% | 0.875 | 78% | 0.777 | S | S | * | * | trans | -108.8 | 117.1 | 161.6 | -109.5 | -63.5 | 0 | 0 | 0 | 109.1 | ||||
| 16 | H | 45.5 | Very low | 46.1 | Very low | 173 Ų | 173 | 148.2 Ų | 148.2 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | trans | -81.9 | 144 | 171.2 | -90.2 | -99.4 | 0 | 0 | 0 | 111.2 | ||||
| 17 | D | 45.9 | Very low | 45.6 | Very low | 119 Ų | 119 | 149.4 Ų | 149.4 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | trans | -74.6 | 145.9 | 179.3 | -156 | -69.4 | 0 | 0 | 0 | 112.8 | H19 | D17-H19 IonicContact OD1-CD2 3.51Å; D17-H19 PolarHBondContact OD1-CD2 2.83Å; D17-H19 VanDerWaalsContact OD1-CD2 3.24Å; D17-H19 IonicContact OD1-NE2 2.9Å | ||
| 18 | S | 40.6 | Very low | 45.5 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -166.5 | 114.8 | 147.5 | -88.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 19 | H | 49.3 | Very low | 44.6 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 63% | 0.625 | 79% | 0.792 | S | S | * | * | trans | -59.7 | 141.3 | 172.5 | -64.7 | -94.1 | 0 | 0 | 0 | 114.5 | D17 Y21 | D17-H19 IonicContact OD1-CD2 3.51Å; D17-H19 PolarHBondContact OD1-CD2 2.83Å; D17-H19 VanDerWaalsContact OD1-CD2 3.24Å; D17-H19 IonicContact OD1-NE2 2.9Å; H19-Y21 HydrophobicContact CB-CE2 4.08Å | ||
| 20 | H | 44.6 | Very low | 44.1 | Very low | 183 Ų | 183 | 144.4 Ų | 144.4 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | -135.5 | 114.4 | 154.2 | -154.2 | -93.8 | 0 | 0 | 0 | 110 | ||||
| 21 | Y | 41.4 | Very low | 43.8 | Very low | 189 Ų | 189 | 142.7 Ų | 142.7 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -80.5 | 134.7 | 174.4 | -64.2 | -92.5 | 0 | 0 | 0 | 109.7 | H19 | H19-Y21 HydrophobicContact CB-CE2 4.08Š| ||
| 22 | S | 36.8 | Very low | 43.1 | Very low | 111 Ų | 111 | 145.5 Ų | 145.5 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -154.7 | 118.9 | 153.4 | -97.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 23 | L | 41.4 | Very low | 42.5 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -56.9 | 138.2 | 168.9 | -94.6 | 78.8 | 0 | 0 | 0 | 111 | ||||
| 24 | H | 44.6 | Very low | 42.3 | Very low | 197 Ų | 197 | 145.6 Ų | 145.6 | 91% | 0.912 | 80% | 0.801 | S | S | * | * | trans | -132.2 | 107.8 | 142.4 | -141.7 | -151.7 | 0 | 0 | 0 | 108.6 | ||||
| 25 | A | 36.3 | Very low | 42.4 | Very low | 87 Ų | 87 | 143.6 Ų | 143.6 | 72% | 0.719 | 80% | 0.8 | S | S | * | * | trans | -84.8 | 133.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 26 | A | 36.5 | Very low | 42.2 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | trans | -138.1 | 131.6 | 155.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 27 | A | 35.5 | Very low | 42.7 | Very low | 99 Ų | 99 | 132.9 Ų | 132.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -82.9 | 148.7 | -154.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 28 | A | 47.9 | Very low | 43.1 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 87% | 0.868 | 77% | 0.769 | S | S | * | * | trans | 44.6 | 111.2 | 139 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 29 | G | 37.6 | Very low | 43.9 | Very low | 74 Ų | 74 | 130.7 Ų | 130.7 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | trans | -146.6 | 67.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 30 | R | 39.7 | Very low | 44.2 | Very low | 235 Ų | 235 | 132.8 Ų | 132.8 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | trans | 66.9 | 104.1 | 150 | -61.9 | 174.2 | 144.1 | -104.9 | -5.8 | 118.3 | H32 | R30-H32 PolarHBondContact O-N 2.94Š| ||
| 31 | C | 43.5 | Very low | 44.3 | Very low | 138 Ų | 138 | 131.5 Ų | 131.5 | 93% | 0.932 | 77% | 0.767 | S | S | * | * | trans | -42.5 | 123.7 | 148.2 | -48.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 32 | H | 40.5 | Very low | 44.8 | Very low | 169 Ų | 169 | 127.5 Ų | 127.5 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | trans | -119 | 143.4 | 163.8 | -166.9 | 64.6 | 0 | 0 | 0 | 108.5 | R30 | R30-H32 PolarHBondContact O-N 2.94Š| ||
| 33 | E | 36.4 | Very low | 45.6 | Very low | 151 Ų | 151 | 127.6 Ų | 127.6 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | -69.7 | 153.4 | -145 | -68.1 | 177.5 | 91.9 | 0 | 0 | 115.2 | T35 | E33-T35 PolarHBondContact O-N 3.17Š| ||
| 34 | D | 46.2 | Very low | 46 | Very low | 161 Ų | 161 | 128.7 Ų | 128.7 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | trans | -52.8 | 78.4 | 152.9 | -172.4 | 20.5 | 0 | 0 | 0 | 110.4 | G36 | D34-G36 PolarHBondContact O-N 3.29Š| ||
| 35 | T | 48.3 | Very low | 46.5 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 69% | 0.693 | 75% | 0.749 | S | S | * | * | trans | -80.8 | 102 | 158.3 | 45.4 | 0 | 0 | 0 | 0 | 107 | E33 A37 | E33-T35 PolarHBondContact O-N 3.17Å; T35-A37 PolarHBondContact O-N 2.96Å | ||
| 36 | G | 48.2 | Very low | 47.3 | Very low | 75 Ų | 75 | 128.5 Ų | 128.5 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | -59.5 | 64.6 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | D34 | D34-G36 PolarHBondContact O-N 3.29Š| ||
| 37 | A | 54.9 | Low | 47.7 | Very low | 61 Ų | 61 | 127.8 Ų | 127.8 | 50% | 0.504 | 74% | 0.736 | S | S | . | * | trans | -95.6 | 123.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | T35 | T35-A37 PolarHBondContact O-N 2.96Š| ||
| 38 | P | 54.4 | Low | 48.3 | Very low | 57 Ų | 57 | 131.3 Ų | 131.3 | 37% | 0.37 | 74% | 0.735 | S | S | . | * | trans | -67.7 | 150.5 | -178.1 | 30.5 | -36.6 | 0 | 0 | 0 | 110.9 | Y40 | P38-Y40 HydrophobicContact CB-CD1 3.53Å; P38-Y40 HydrophobicContact CB-CE1 3.28Å; P38-Y40 HydrophobicContact CG-CD1 3.83Å; P38-Y40 HydrophobicContact CG-CE1 3.26Å; P38-Y40 PolarHBondContact O-N 3.18Å | ||
| 39 | P | 57.5 | Low | 48.4 | Very low | 138 Ų | 138 | 130.9 Ų | 130.9 | 90% | 0.896 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 1.1 | -169.3 | 26.4 | -36 | 0 | 0 | 0 | 115 | ||
| 40 | Y | 55.4 | Low | 48.9 | Very low | 180 Ų | 180 | 134.4 Ų | 134.4 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | -7.1 | -171.2 | 69.5 | -98.1 | 0 | 0 | 0 | 115.2 | P38 | P38-Y40 HydrophobicContact CB-CD1 3.53Å; P38-Y40 HydrophobicContact CB-CE1 3.28Å; P38-Y40 HydrophobicContact CG-CD1 3.83Å; P38-Y40 HydrophobicContact CG-CE1 3.26Å; P38-Y40 PolarHBondContact O-N 3.18Å |
| 41 | F | 46.7 | Very low | 49 | Very low | 155 Ų | 155 | 129.4 Ų | 129.4 | 68% | 0.68 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -117 | -8.4 | -167.5 | -132.3 | -100.5 | 0 | 0 | 0 | 118.7 | ||
| 42 | T | 52.3 | Low | 49.1 | Very low | 105 Ų | 105 | 126.3 Ų | 126.3 | 64% | 0.644 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -105.7 | 16.3 | -168.5 | 53.8 | 0 | 0 | 0 | 0 | 116 | ||
| 43 | S | 53.8 | Low | 49.4 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 79% | 0.79 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -95.1 | -12.3 | 178.9 | -159.3 | 0 | 0 | 0 | 0 | 114.5 | ||
| 44 | W | 49.6 | Very low | 49.9 | Very low | 184 Ų | 184 | 122.8 Ų | 122.8 | 70% | 0.697 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -103.7 | -17.9 | -176 | -75.7 | 92.4 | 0 | 0 | 0 | 114.8 | R133 | W44-R133 HydrophobicContact CH2-CB 4.42Å; W44-R133 VanDerWaalsContact CH2-CD 3.46Å; W44-R133 HydrophobicContact CH2-CG 3.57Å; W44-R133 VanDerWaalsContact CH2-NE 3.28Å; W44-R133 HydrophobicContact CZ2-CG 3.88Å |
| 45 | L | 56.1 | Low | 49.6 | Very low | 146 Ų | 146 | 123 Ų | 123 | 76% | 0.764 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -84.4 | 118.9 | 171.1 | -140.8 | 71 | 0 | 0 | 0 | 107.4 | S47 | L45-S47 PolarHBondContact O-N 3.12Š|
| 46 | I | 53.1 | Low | 49.5 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 69% | 0.692 | 71% | 0.708 | S | S | * | * | trans | -52.7 | 117.3 | 161.8 | -73.5 | 160.6 | 0 | 0 | 0 | 105.9 | H48 | I46-H48 PolarHBondContact O-N 3.32Š| ||
| 47 | S | 43.8 | Very low | 49.5 | Very low | 90 Ų | 90 | 129.5 Ų | 129.5 | 63% | 0.629 | 71% | 0.706 | S | S | * | * | trans | -55.2 | 105 | 170.8 | -70.8 | 0 | 0 | 0 | 0 | 108.2 | L45 A49 | L45-S47 PolarHBondContact O-N 3.12Å; S47-A49 PolarHBondContact O-N 3.02Å; S47-A49 VanDerWaalsContact O-N 3.16Å | ||
| 48 | H | 48.4 | Very low | 49.4 | Very low | 173 Ų | 173 | 134.6 Ų | 134.6 | 80% | 0.801 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -66.4 | -3.9 | 168.3 | -105.7 | -85 | 0 | 0 | 0 | 112.3 | I46 | I46-H48 PolarHBondContact O-N 3.32Š|
| 49 | A | 50.6 | Low | 48.9 | Very low | 96 Ų | 96 | 136 Ų | 136 | 79% | 0.793 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -83.8 | -3.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S47 | S47-A49 PolarHBondContact O-N 3.02Å; S47-A49 VanDerWaalsContact O-N 3.16Å |
| 50 | D | 47.8 | Very low | 48.4 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -122 | 23.6 | 178.5 | -117.8 | -25.9 | 0 | 0 | 0 | 113.1 | ||
| 51 | M | 42.2 | Very low | 47.5 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 64% | 0.64 | 74% | 0.741 | S | S | * | * | trans | -105.3 | 114.5 | 163.1 | -87.4 | -74 | 96.1 | 0 | 0 | 109.3 | ||||
| 52 | S | 44.8 | Very low | 47.2 | Very low | 73 Ų | 73 | 133.1 Ų | 133.1 | 51% | 0.51 | 75% | 0.748 | S | S | . | * | trans | -60.9 | 146.2 | 169.7 | 61.6 | 0 | 0 | 0 | 0 | 109.9 | T54 | S52-T54 PolarHBondContact O-N 3.06Š| ||
| 53 | P | 47.7 | Very low | 46.4 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 6.6 | -172.5 | -16.9 | 31 | 0 | 0 | 0 | 115.8 | ||
| 54 | T | 47.3 | Very low | 46.3 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 73% | 0.73 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | -6.7 | -166.7 | 44.5 | 0 | 0 | 0 | 0 | 116.1 | S52 | S52-T54 PolarHBondContact O-N 3.06Š|
| 55 | E | 38.9 | Very low | 45.5 | Very low | 166 Ų | 166 | 128.5 Ų | 128.5 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -99.3 | 3.7 | 178.7 | -82.9 | -166.6 | 148.9 | 0 | 0 | 115 | S57 | E55-S57 VanDerWaalsContact C-N 3.32Å; E55-S57 PolarHBondContact O-N 3.37Å |
| 56 | Y | 45.5 | Very low | 44.8 | Very low | 220 Ų | 220 | 129.6 Ų | 129.6 | 86% | 0.863 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -81.3 | -4.7 | 177 | -156.2 | -99 | 0 | 0 | 0 | 114.4 | L58 | Y56-L58 PolarHBondContact O-N 3.37Š|
| 57 | S | 49.2 | Very low | 44.1 | Very low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -100.4 | 42.9 | -175.2 | -72.9 | 0 | 0 | 0 | 0 | 115.2 | E55 | E55-S57 VanDerWaalsContact C-N 3.32Å; E55-S57 PolarHBondContact O-N 3.37Å |
| 58 | L | 51.7 | Low | 43.7 | Very low | 168 Ų | 168 | 132.8 Ų | 132.8 | 88% | 0.88 | 74% | 0.737 | S | S | * | * | trans | -151 | 71.3 | 158.7 | -94.3 | 113.6 | 0 | 0 | 0 | 110.6 | Y56 | Y56-L58 PolarHBondContact O-N 3.37Š| ||
| 59 | A | 44.3 | Very low | 43.2 | Very low | 87 Ų | 87 | 131.8 Ų | 131.8 | 72% | 0.719 | 74% | 0.738 | S | S | * | * | trans | -73.8 | 128.2 | 153.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | G61 | A59-G61 PolarHBondContact O-N 3.16Å; A59-G61 VanDerWaalsContact O-N 3.12Å | ||
| 60 | P | 46.9 | Very low | 42.4 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | trans | -61.2 | 115.4 | 160.3 | -13.8 | 28 | 0 | 0 | 0 | 106.9 | Y62 | P60-Y62 PolarHBondContact O-N 3.3Š| ||
| 61 | G | 36.3 | Very low | 41.8 | Very low | 76 Ų | 76 | 129.4 Ų | 129.4 | 78% | 0.784 | 74% | 0.739 | S | S | * | * | trans | -57.7 | 104 | -180 | 0 | 0 | 0 | 0 | 0 | 110.9 | A59 S63 | A59-G61 PolarHBondContact O-N 3.16Å; A59-G61 VanDerWaalsContact O-N 3.12Å; G61-S63 PolarHBondContact O-N 3.27Å | ||
| 62 | Y | 41.7 | Very low | 41.3 | Very low | 209 Ų | 209 | 126.6 Ų | 126.6 | 82% | 0.82 | 74% | 0.744 | S | S | * | * | trans | -77.6 | 95.6 | 157.1 | -177.7 | -96.1 | 0 | 0 | 0 | 106.4 | P60 P64 | P60-Y62 PolarHBondContact O-N 3.3Å; Y62-P64 HydrophobicContact CD1-CG 4.48Å; Y62-P64 HydrophobicContact CE1-CB 4.32Å; Y62-P64 HydrophobicContact CE1-CG 4.03Å | ||
| 63 | S | 36 | Very low | 40.6 | Very low | 93 Ų | 93 | 129.9 Ų | 129.9 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | trans | -109.4 | 113.8 | 169.7 | -169.1 | 0 | 0 | 0 | 0 | 108.8 | G61 | G61-S63 PolarHBondContact O-N 3.27Š| ||
| 64 | P | 51.3 | Low | 40.2 | Very low | 85 Ų | 85 | 128.3 Ų | 128.3 | 55% | 0.552 | 75% | 0.748 | S | S | * | * | trans | -92.2 | 92.5 | 172.6 | 32.9 | -24.6 | 0 | 0 | 0 | 109.2 | Y62 | Y62-P64 HydrophobicContact CD1-CG 4.48Å; Y62-P64 HydrophobicContact CE1-CB 4.32Å; Y62-P64 HydrophobicContact CE1-CG 4.03Å | ||
| 65 | E | 32 | Very low | 39.9 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 59% | 0.589 | 75% | 0.754 | S | S | * | * | trans | -120.7 | 127.8 | 170.4 | -70.3 | -71.9 | 161.9 | 0 | 0 | 110 | ||||
| 66 | Y | 41.7 | Very low | 39.7 | Very low | 169 Ų | 169 | 124.5 Ų | 124.5 | 66% | 0.663 | 76% | 0.757 | S | S | * | * | trans | -85.5 | 105.3 | -175.3 | 36.2 | -81.5 | 0 | 0 | 0 | 108.3 | ||||
| 67 | H | 38.9 | Very low | 38.9 | Very low | 165 Ų | 165 | 117 Ų | 117 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | trans | -141.4 | 133.8 | 162.3 | -82.2 | -68.5 | 0 | 0 | 0 | 113.4 | ||||
| 68 | T | 35.8 | Very low | 38.5 | Very low | 127 Ų | 127 | 120 Ų | 120 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | trans | -66.6 | 139.7 | -176 | 54.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 69 | N | 36.2 | Very low | 37.7 | Very low | 152 Ų | 152 | 119.3 Ų | 119.3 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | trans | 15.3 | 123.6 | 145.5 | -163.9 | 48.8 | 0 | 0 | 0 | 118.6 | ||||
| 70 | S | 35.1 | Very low | 37.5 | Very low | 116 Ų | 116 | 119.5 Ų | 119.5 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | trans | -179.5 | 141.7 | 132 | -77.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 71 | G | 34.3 | Very low | 36.9 | Very low | 78 Ų | 78 | 124.6 Ų | 124.6 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | -88.4 | -172.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 72 | G | 32.3 | Very low | 37.1 | Very low | 71 Ų | 71 | 129.3 Ų | 129.3 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | trans | 94.8 | 145 | 180 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 73 | D | 30.3 | Very low | 37 | Very low | 143 Ų | 143 | 127.1 Ų | 127.1 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | cis | 179.7 | 161.3 | -8.2 | 58.9 | -60.1 | 0 | 0 | 0 | 106.1 | ||||
| 74 | S | 39.3 | Very low | 37.1 | Very low | 93 Ų | 93 | 130.9 Ų | 130.9 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | trans | 75.1 | 101.7 | 150.4 | -51.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 75 | S | 39.5 | Very low | 36.2 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | 55.9 | 129 | 122.6 | 65.1 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 76 | G | 34.8 | Very low | 36.3 | Very low | 82 Ų | 82 | 141.5 Ų | 141.5 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | trans | 139.4 | 110.6 | 153.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 77 | G | 30.1 | Very low | 35.9 | Very low | 63 Ų | 63 | 136.6 Ų | 136.6 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | cis | 118 | 129.7 | 25.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 78 | L | 39.2 | Very low | 36.4 | Very low | 166 Ų | 166 | 135 Ų | 135 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | 74.8 | 133.3 | 166.8 | -28.5 | 169.7 | 0 | 0 | 0 | 113.1 | ||||
| 79 | D | 36.4 | Very low | 36.4 | Very low | 154 Ų | 154 | 131.9 Ų | 131.9 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | cis | -155.8 | 141.7 | 24 | -3.6 | -82.5 | 0 | 0 | 0 | 110.8 | ||||
| 80 | A | 39 | Very low | 36.5 | Very low | 92 Ų | 92 | 132.8 Ų | 132.8 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | -103.8 | 146.6 | 165 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 81 | R | 35.8 | Very low | 36.7 | Very low | 233 Ų | 233 | 134.8 Ų | 134.8 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | 127.1 | 124.3 | 148.7 | -69.2 | -179.6 | 101.3 | 143.1 | 8 | 113.6 | ||||
| 82 | H | 39.2 | Very low | 37 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | 158.8 | 135.5 | 140.4 | -87.7 | 90.8 | 0 | 0 | 0 | 106.3 | ||||
| 83 | H | 39.3 | Very low | 37.4 | Very low | 163 Ų | 163 | 141.5 Ų | 141.5 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | cis | -165.5 | 159.7 | -11.7 | -138.5 | -105.9 | 0 | 0 | 0 | 105.6 | ||||
| 84 | H | 38.2 | Very low | 38.1 | Very low | 172 Ų | 172 | 140.5 Ų | 140.5 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | trans | -53.6 | 140.2 | -177.3 | -75.3 | -108.1 | 0 | 0 | 0 | 116 | ||||
| 85 | H | 33.7 | Very low | 38 | Very low | 188 Ų | 188 | 139 Ų | 139 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | trans | -150.8 | 105.1 | 148.8 | -108.1 | -76.3 | 0 | 0 | 0 | 110.2 | ||||
| 86 | Y | 34.2 | Very low | 38.5 | Very low | 246 Ų | 246 | 140 Ų | 140 | 97% | 0.965 | 80% | 0.795 | S | S | * | * | trans | -135.9 | 134.4 | 162.6 | -94 | -77.9 | 0 | 0 | 0 | 110.3 | ||||
| 87 | G | 32.7 | Very low | 38.7 | Very low | 67 Ų | 67 | 139.6 Ų | 139.6 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | 156.4 | 146 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 88 | P | 49.5 | Very low | 39.3 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | cis | -117.6 | 165 | 15.3 | 27.6 | -5.8 | 0 | 0 | 0 | 112 | ||||
| 89 | G | 35.3 | Very low | 39.5 | Very low | 60 Ų | 60 | 143.2 Ų | 143.2 | 62% | 0.619 | 80% | 0.801 | S | S | * | * | 100.8 | 125.9 | 53.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 90 | N | 39.3 | Very low | 39.9 | Very low | 171 Ų | 171 | 140.8 Ų | 140.8 | 91% | 0.914 | 80% | 0.796 | S | S | * | * | trans | 114.9 | 136.2 | 176.2 | -62 | 9.1 | 0 | 0 | 0 | 112.6 | ||||
| 91 | H | 38.3 | Very low | 40 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 73% | 0.731 | 80% | 0.796 | S | S | * | * | cis | -165.7 | 160.9 | -19.6 | 91.2 | -38.1 | 0 | 0 | 0 | 108.3 | ||||
| 92 | L | 40 | Very low | 40.5 | Very low | 135 Ų | 135 | 139.7 Ų | 139.7 | 71% | 0.707 | 79% | 0.792 | S | S | * | * | trans | 94.7 | 105.6 | 168.2 | -53.3 | -33.5 | 0 | 0 | 0 | 120.7 | ||||
| 93 | I | 41.2 | Very low | 40.5 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 80% | 0.795 | 79% | 0.785 | S | S | * | * | trans | -68.4 | 138.9 | 140.6 | -68.3 | 177.6 | 0 | 0 | 0 | 108.9 | ||||
| 94 | P | 45.9 | Very low | 40.7 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | -134.7 | 120.4 | 99.9 | 15.1 | 6.9 | 0 | 0 | 0 | 111.1 | |||||
| 95 | G | 35.4 | Very low | 41 | Very low | 63 Ų | 63 | 130 Ų | 130 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | 107.4 | 134.2 | 90.8 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 96 | P | 51.4 | Low | 41.8 | Very low | 142 Ų | 142 | 126.7 Ų | 126.7 | 92% | 0.922 | 79% | 0.785 | S | S | * | * | trans | -87.3 | 130.3 | -172 | 34 | -30.3 | 0 | 0 | 0 | 111 | ||||
| 97 | G | 38.3 | Very low | 42.1 | Very low | 75 Ų | 75 | 117.8 Ų | 117.8 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -161.5 | 75.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I99 | G97-I99 PolarHBondContact O-N 3.46Š| ||
| 98 | T | 43 | Very low | 42.9 | Very low | 143 Ų | 143 | 120.9 Ų | 120.9 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | trans | -73.1 | 107.7 | 163.9 | 48.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 99 | I | 42.4 | Very low | 42.6 | Very low | 161 Ų | 161 | 122.4 Ų | 122.4 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | trans | -144 | 109.2 | 151.8 | -50.3 | 178.3 | 0 | 0 | 0 | 108.3 | G97 | G97-I99 PolarHBondContact O-N 3.46Š| ||
| 100 | S | 44.7 | Very low | 43.1 | Very low | 103 Ų | 103 | 126.7 Ų | 126.7 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | trans | -78 | 128.3 | 164.8 | 176.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 101 | M | 41.7 | Very low | 43.5 | Very low | 156 Ų | 156 | 126.1 Ų | 126.1 | 77% | 0.768 | 76% | 0.757 | S | S | * | * | trans | -158.1 | 109.8 | 150.1 | -79.9 | -54.6 | 163.8 | 0 | 0 | 110 | ||||
| 102 | N | 47.3 | Very low | 43.9 | Very low | 147 Ų | 147 | 125.2 Ų | 125.2 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | trans | 52.5 | 101.8 | 140.4 | -51.6 | -21.6 | 0 | 0 | 0 | 119.4 | ||||
| 103 | G | 37.8 | Very low | 44.3 | Very low | 66 Ų | 66 | 126.8 Ų | 126.8 | 68% | 0.68 | 76% | 0.756 | S | S | * | * | trans | -176.4 | 111.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | T105 | G103-T105 PolarHBondContact O-N 2.92Š| ||
| 104 | A | 43.4 | Very low | 44.7 | Very low | 106 Ų | 106 | 126.2 Ų | 126.2 | 88% | 0.876 | 75% | 0.749 | S | S | * | * | trans | -51.6 | 102.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V106 | A104-V106 PolarHBondContact O-N 3.05Å; A104-V106 VanDerWaalsContact O-N 3.17Å | ||
| 105 | T | 45.2 | Very low | 44.9 | Very low | 135 Ų | 135 | 124.5 Ų | 124.5 | 83% | 0.828 | 75% | 0.745 | S | S | * | * | trans | -78.1 | 98.5 | 168.2 | 58.8 | 0 | 0 | 0 | 0 | 107.2 | G103 G107 | G103-T105 PolarHBondContact O-N 2.92Å; T105-G107 PolarHBondContact O-N 2.98Å | ||
| 106 | V | 50.8 | Low | 45.8 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | trans | -49.9 | 111.3 | 162.5 | -82.3 | 0 | 0 | 0 | 0 | 108.2 | A104 M108 | A104-V106 PolarHBondContact O-N 3.05Å; A104-V106 VanDerWaalsContact O-N 3.17Å; V106-M108 VanDerWaalsContact C-N 3.25Å; V106-M108 PolarHBondContact O-N 3.5Å | ||
| 107 | G | 39.6 | Very low | 46.2 | Very low | 58 Ų | 58 | 128.4 Ų | 128.4 | 60% | 0.598 | 75% | 0.745 | S | S | * | * | trans | -64 | 87.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | T105 H109 | T105-G107 PolarHBondContact O-N 2.98Å; G107-H109 PolarHBondContact O-N 3.28Å | ||
| 108 | M | 49.5 | Very low | 47.2 | Very low | 133 Ų | 133 | 135.3 Ų | 135.3 | 66% | 0.655 | 75% | 0.748 | S | S | * | * | trans | -71.5 | 80.2 | 164.5 | -73.3 | -73.6 | 107.3 | 0 | 0 | 107.3 | V106 H110 | V106-M108 VanDerWaalsContact C-N 3.25Å; V106-M108 PolarHBondContact O-N 3.5Å; M108-H110 PolarHBondContact O-N 3.34Å | ||
| 109 | H | 44.7 | Very low | 48.1 | Very low | 163 Ų | 163 | 133.3 Ų | 133.3 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | trans | -64.1 | 81.3 | 163.6 | -75.6 | -131.1 | 0 | 0 | 0 | 107.1 | G107 H111 | G107-H109 PolarHBondContact O-N 3.28Å; H109-H111 PolarHBondContact O-N 2.96Å | ||
| 110 | H | 45.6 | Very low | 48.9 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 69% | 0.694 | 73% | 0.732 | S | S | * | * | trans | -65.8 | 92.5 | 164.6 | -81.3 | 79.7 | 0 | 0 | 0 | 106.1 | M108 H112 | M108-H110 PolarHBondContact O-N 3.34Å; H110-H112 PolarHBondContact O-N 3.13Å | ||
| 111 | H | 47.8 | Very low | 49.6 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | trans | -56.5 | 90 | 153.1 | -84.3 | -80.7 | 0 | 0 | 0 | 106.6 | H109 H113 | H109-H111 PolarHBondContact O-N 2.96Å; H111-H113 PolarHBondContact O-N 2.69Å | ||
| 112 | H | 45.6 | Very low | 50.3 | Low | 138 Ų | 138 | 141.2 Ų | 141.2 | 64% | 0.639 | 75% | 0.746 | S | S | * | * | trans | -65.6 | 85.1 | 166.3 | -131.2 | 92.3 | 0 | 0 | 0 | 105.3 | H110 H114 | H110-H112 PolarHBondContact O-N 3.13Å; H112-H114 AromaticContact CD2-CE1 3.35Å; H112-H114 PolarHBondContact CD2-CE1 2.97Å; H112-H114 AromaticContact CD2-ND1 3.43Å; H112-H114 PolarHBondContact CD2-ND1 3.31Å; H112-H114 PolarHBondContact O-N 2.96Å | ||
| 113 | H | 48.4 | Very low | 51.3 | Low | 169 Ų | 169 | 141 Ų | 141 | 78% | 0.782 | 73% | 0.734 | S | S | * | * | trans | -57.3 | 92.8 | 154.9 | -78.7 | -80.2 | 0 | 0 | 0 | 105 | H111 A115 | H111-H113 PolarHBondContact O-N 2.69Å; H113-A115 PolarHBondContact O-N 3.35Å | ||
| 114 | H | 49.4 | Very low | 53.4 | Low | 142 Ų | 142 | 142 Ų | 142 | 66% | 0.657 | 73% | 0.729 | S | S | * | * | trans | -62.8 | 79.5 | 163 | -72.2 | -57.3 | 0 | 0 | 0 | 106.4 | H112 H116 | H112-H114 AromaticContact CD2-CE1 3.35Å; H112-H114 PolarHBondContact CD2-CE1 2.97Å; H112-H114 AromaticContact CD2-ND1 3.43Å; H112-H114 PolarHBondContact CD2-ND1 3.31Å; H112-H114 PolarHBondContact O-N 2.96Å; H114-H116 VanDerWaalsContact C-N 3.25Å; H114-H116 PolarHBondContact O-N 2.82Å; H114-H116 PolarHBondContact O-ND1 3.3Å | ||
| 115 | A | 51.7 | Low | 55.2 | Low | 86 Ų | 86 | 142.1 Ų | 142.1 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | trans | -54.2 | 101.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 104.8 | H113 P117 | H113-A115 PolarHBondContact O-N 3.35Å; A115-P117 VanDerWaalsContact O-CD 3.25Å; A115-P117 WeakPolarHBondContact O-CD 3.47Å | ||
| 116 | H | 54.1 | Low | 57.2 | Low | 160 Ų | 160 | 138.3 Ų | 138.3 | 74% | 0.741 | 70% | 0.701 | S | S | * | * | trans | -53.5 | 117.7 | 174.4 | -71.6 | 56.6 | 0 | 0 | 0 | 106.1 | H114 R118 | H114-H116 VanDerWaalsContact C-N 3.25Å; H114-H116 PolarHBondContact O-N 2.82Å; H114-H116 PolarHBondContact O-ND1 3.3Å; H116-R118 VanDerWaalsContact C-N 3.3Å; H116-R118 PolarHBondContact O-N 3.26Å | ||
| 117 | P | 59 | Low | 59.2 | Low | 128 Ų | 128 | 137.7 Ų | 137.7 | 83% | 0.831 | 69% | 0.693 | S | S | * | * | trans | -66.6 | 98.2 | 178.5 | 25.1 | -30 | 0 | 0 | 0 | 107 | A115 T119 | A115-P117 VanDerWaalsContact O-CD 3.25Å; A115-P117 WeakPolarHBondContact O-CD 3.47Å; P117-T119 PolarHBondContact O-N 2.93Å | ||
| 118 | R | 59.8 | Low | 61.8 | Low | 219 Ų | 219 | 142.8 Ų | 142.8 | 83% | 0.826 | 70% | 0.695 | S | S | * | * | trans | -60.1 | 104.8 | 175.7 | -72.9 | -170.6 | -75.3 | -151.6 | -3 | 109.3 | H116 | H116-R118 VanDerWaalsContact C-N 3.3Å; H116-R118 PolarHBondContact O-N 3.26Å | ||
| 119 | T | 61.2 | Low | 64 | Low | 101 Ų | 101 | 143.5 Ų | 143.5 | 62% | 0.62 | 69% | 0.694 | S | S | * | * | trans | 51.4 | 99.7 | 137.5 | 63.1 | 0 | 0 | 0 | 0 | 118.4 | P117 R123 | P117-T119 PolarHBondContact O-N 2.93Å; T119-R123 PolarHBondContact O-NH1 3.48Å | ||
| 120 | I | 59.6 | Low | 66.4 | Low | 144 Ų | 144 | 140 Ų | 140 | 74% | 0.738 | 68% | 0.678 | S | S | * | * | trans | -132.7 | -18.4 | 163.6 | -56.8 | 180 | 0 | 0 | 0 | 114.6 | R122 | I120-R122 PolarHBondContact O-N 3.12Š| ||
| 121 | K | 58.8 | Low | 68.9 | Low | 206 Ų | 206 | 142.2 Ų | 142.2 | 90% | 0.896 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -8.2 | -167.5 | -79.3 | -179.1 | 174.2 | 179.2 | 0 | 117.7 | ||
| 122 | R | 57.4 | Low | 71.3 | Confident | 236 Ų | 236 | 142.3 Ų | 142.3 | 89% | 0.891 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | 10 | -176.2 | -60.5 | -164.2 | 79.1 | -162.5 | 4.8 | 116.1 | I120 | I120-R122 PolarHBondContact O-N 3.12Š|
| 123 | R | 68.7 | Low | 73.8 | Confident | 143 Ų | 143 | 140.7 Ų | 140.7 | 54% | 0.54 | 66% | 0.662 | S | S | . | * | trans | -103.9 | -9.5 | -173.3 | -62 | -168.5 | 176.5 | 105 | 0 | 118.7 | T119 T125 A126 N127 | T119-R123 PolarHBondContact O-NH1 3.48Å; R123-T125 PolarHBondContact O-N 2.78Å; R123-A126 PolarHBondContact O-N 3.45Å; R123-N127 WeakPolarHBondContact O-CB 3.12Å; R123-N127 PolarHBondContact O-N 3.3Å; R123-N127 PolarHBondContact O-OD1 2.96Å; R123-N127 VanDerWaalsContact O-OD1 3.11Å | ||
| 124 | P | 80.7 | Confident | 76.1 | Confident | 88 Ų | 88 | 135.2 Ų | 135.2 | 57% | 0.571 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.5 | -36.6 | -173 | 26.6 | -32.6 | 0 | 0 | 0 | 112.7 | R128 | P124-R128 VanDerWaalsContact O-CB 3.31Å; P124-R128 WeakPolarHBondContact O-CB 3.29Å; P124-R128 PolarHBondContact O-N 3.23Å |
| 125 | T | 81.4 | Confident | 78.4 | Confident | 108 Ų | 108 | 134.4 Ų | 134.4 | 66% | 0.663 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.7 | -45.4 | 177.8 | 51.8 | 0 | 0 | 0 | 0 | 111.6 | R123 R128 K129 | R123-T125 PolarHBondContact O-N 2.78Å; T125-R128 PolarHBondContact O-N 3.35Å; T125-K129 PolarHBondContact O-N 2.88Å |
| 126 | A | 87.1 | Confident | 80.7 | Confident | 55 Ų | 55 | 133.7 Ų | 133.7 | 46% | 0.455 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -60.9 | -46.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | R123 R128 K129 E130 | R123-A126 PolarHBondContact O-N 3.45Å; A126-R128 VanDerWaalsContact C-N 3.32Å; A126-R128 PolarHBondContact O-N 3.03Å; A126-K129 WeakPolarHBondContact O-CB 3.26Å; A126-K129 PolarHBondContact O-N 3.35Å; A126-E130 PolarHBondContact O-N 3.49Å |
| 127 | N | 93.9 | Very high | 82.8 | Confident | 104 Ų | 104 | 128.7 Ų | 128.7 | 56% | 0.556 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.6 | -36.8 | 178.3 | -71.6 | 21.5 | 0 | 0 | 0 | 112.2 | R123 R131 | R123-N127 WeakPolarHBondContact O-CB 3.12Å; R123-N127 PolarHBondContact O-N 3.3Å; R123-N127 PolarHBondContact O-OD1 2.96Å; R123-N127 VanDerWaalsContact O-OD1 3.11Å; N127-R131 PolarHBondContact O-N 3.04Å; N127-R131 VanDerWaalsContact O-N 3.08Å |
| 128 | R | 93.4 | Very high | 84.6 | Confident | 166 Ų | 166 | 126 Ų | 126 | 63% | 0.626 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.8 | -42.5 | 174.1 | -176.3 | -179.3 | -68 | -176.8 | -3.7 | 111 | P124 T125 A126 R131 R132 | P124-R128 VanDerWaalsContact O-CB 3.31Å; P124-R128 WeakPolarHBondContact O-CB 3.29Å; P124-R128 PolarHBondContact O-N 3.23Å; T125-R128 PolarHBondContact O-N 3.35Å; A126-R128 VanDerWaalsContact C-N 3.32Å; A126-R128 PolarHBondContact O-N 3.03Å; R128-R131 PolarHBondContact O-N 3.44Å; R128-R132 WeakPolarHBondContact O-CG 3.32Å; R128-R132 PolarHBondContact O-N 3.33Å; R128-R132 VanDerWaalsContact O-N 3.1Å |
| 129 | K | 95.3 | Very high | 86.4 | Confident | 147 Ų | 147 | 118.4 Ų | 118.4 | 64% | 0.639 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.9 | -47.2 | 177.1 | -172.1 | 175.6 | 180 | 177.7 | 0 | 111.4 | T125 A126 R131 R132 R133 | T125-K129 PolarHBondContact O-N 2.88Å; A126-K129 WeakPolarHBondContact O-CB 3.26Å; A126-K129 PolarHBondContact O-N 3.35Å; K129-R131 VanDerWaalsContact C-N 3.3Å; K129-R131 PolarHBondContact O-N 2.99Å; K129-R132 PolarHBondContact O-N 3.29Å; K129-R133 PolarHBondContact O-N 2.97Å |
| 130 | E | 96.2 | Very high | 88.1 | Confident | 90 Ų | 90 | 116 Ų | 116 | 42% | 0.421 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.2 | -37.2 | 179 | -175.1 | 53.9 | -142.6 | 0 | 0 | 112.5 | A126 R133 T134 | A126-E130 PolarHBondContact O-N 3.49Å; E130-R133 WeakPolarHBondContact O-CB 3.39Å; E130-R133 PolarHBondContact O-N 2.88Å; E130-R133 IonicContact OE1-CZ 3.57Å; E130-R133 IonicContact OE1-NH1 3.98Å; E130-R133 PolarHBondContact OE1-NH1 2.94Å; E130-R133 VanDerWaalsContact OE2-CD 3.31Å; E130-R133 WeakPolarHBondContact OE2-CD 3.37Å; E130-R133 IonicContact OE2-NH1 3.92Å; E130-T134 WeakPolarHBondContact O-CB 3.33Å; E130-T134 PolarHBondContact O-N 3.49Å; E130-T134 PolarHBondContact O-OG1 3.27Å; E130-T134 VanDerWaalsContact O-OG1 3.1Å; E130-T134 PolarHBondContact OE1-OG1 2.82Å |
| 131 | R | 97.6 | Very high | 90 | Very high | 197 Ų | 197 | 110.8 Ų | 110.8 | 74% | 0.743 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.7 | -46.3 | 174.3 | -175.1 | -178.5 | -68.3 | -125.2 | 0.4 | 111.6 | N127 R128 K129 T134 Q135 | N127-R131 PolarHBondContact O-N 3.04Å; N127-R131 VanDerWaalsContact O-N 3.08Å; R128-R131 PolarHBondContact O-N 3.44Å; K129-R131 VanDerWaalsContact C-N 3.3Å; K129-R131 PolarHBondContact O-N 2.99Å; R131-T134 PolarHBondContact O-N 3.05Å; R131-Q135 WeakPolarHBondContact O-CB 3.36Å; R131-Q135 PolarHBondContact O-N 3.39Å |
| 132 | R | 97.3 | Very high | 91.7 | Very high | 161 Ų | 161 | 103 Ų | 103 | 61% | 0.608 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.7 | -44.9 | 177.2 | -68.9 | -177 | -158.8 | -95.2 | 10.1 | 111.4 | R128 K129 T134 Q135 S136 | R128-R132 WeakPolarHBondContact O-CG 3.32Å; R128-R132 PolarHBondContact O-N 3.33Å; R128-R132 VanDerWaalsContact O-N 3.1Å; K129-R132 PolarHBondContact O-N 3.29Å; R132-T134 PolarHBondContact O-N 3.16Å; R132-Q135 PolarHBondContact O-N 3.34Å; R132-S136 PolarHBondContact O-N 3.11Å |
| 133 | R | 98.1 | Very high | 93.5 | Very high | 104 Ų | 104 | 97.4 Ų | 97.4 | 39% | 0.392 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -54.1 | -52 | 173.8 | 170.6 | -174.6 | -175.7 | -88.7 | -8.4 | 111.3 | W44 K129 E130 Q135 S136 I137 | W44-R133 HydrophobicContact CH2-CB 4.42Å; W44-R133 VanDerWaalsContact CH2-CD 3.46Å; W44-R133 HydrophobicContact CH2-CG 3.57Å; W44-R133 VanDerWaalsContact CH2-NE 3.28Å; W44-R133 HydrophobicContact CZ2-CG 3.88Å; K129-R133 PolarHBondContact O-N 2.97Å; E130-R133 WeakPolarHBondContact O-CB 3.39Å; E130-R133 PolarHBondContact O-N 2.88Å; E130-R133 IonicContact OE1-CZ 3.57Å; E130-R133 IonicContact OE1-NH1 3.98Å; E130-R133 PolarHBondContact OE1-NH1 2.94Å; E130-R133 VanDerWaalsContact OE2-CD 3.31Å; E130-R133 WeakPolarHBondContact OE2-CD 3.37Å; E130-R133 IonicContact OE2-NH1 3.92Å; R133-Q135 VanDerWaalsContact C-N 3.31Å; R133-Q135 PolarHBondContact O-N 2.92Å; R133-S136 PolarHBondContact O-N 3.41Å; R133-I137 HydrophobicContact CG-CD1 4.09Å; R133-I137 WeakPolarHBondContact O-CG1 3.4Å; R133-I137 PolarHBondContact O-N 3.19Å |
| 134 | T | 98.2 | Very high | 94.9 | Very high | 54 Ų | 54 | 93.3 Ų | 93.3 | 33% | 0.331 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.6 | -38.5 | -179.6 | -64.8 | 0 | 0 | 0 | 0 | 111.7 | E130 R131 R132 I137 N138 | E130-T134 WeakPolarHBondContact O-CB 3.33Å; E130-T134 PolarHBondContact O-N 3.49Å; E130-T134 PolarHBondContact O-OG1 3.27Å; E130-T134 VanDerWaalsContact O-OG1 3.1Å; E130-T134 PolarHBondContact OE1-OG1 2.82Å; R131-T134 PolarHBondContact O-N 3.05Å; R132-T134 PolarHBondContact O-N 3.16Å; T134-I137 PolarHBondContact O-N 3.05Å; T134-N138 WeakPolarHBondContact O-CB 3.5Å; T134-N138 PolarHBondContact O-N 2.82Å; T134-N138 PolarHBondContact O-ND2 3.43Å |
| 135 | Q | 98.1 | Very high | 95.6 | Very high | 126 Ų | 126 | 92.3 Ų | 92.3 | 59% | 0.589 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62.1 | -47.6 | 175.5 | -175.2 | 172.3 | 9.2 | 0 | 0 | 111.4 | R131 R132 R133 I137 N138 S139 | R131-Q135 WeakPolarHBondContact O-CB 3.36Å; R131-Q135 PolarHBondContact O-N 3.39Å; R132-Q135 PolarHBondContact O-N 3.34Å; R133-Q135 VanDerWaalsContact C-N 3.31Å; R133-Q135 PolarHBondContact O-N 2.92Å; Q135-I137 VanDerWaalsContact C-N 3.33Å; Q135-I137 PolarHBondContact O-N 3Å; Q135-N138 PolarHBondContact O-N 3.21Å; Q135-N138 VanDerWaalsContact O-N 3.09Å; Q135-S139 PolarHBondContact O-N 3.05Å; Q135-S139 PolarHBondContact O-OG 3.43Å |
| 136 | S | 98.3 | Very high | 96.2 | Very high | 71 Ų | 71 | 95 Ų | 95 | 50% | 0.497 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -56.8 | -45.1 | 175.5 | 167.9 | 0 | 0 | 0 | 0 | 112 | R132 R133 N138 S139 A140 | R132-S136 PolarHBondContact O-N 3.11Å; R133-S136 PolarHBondContact O-N 3.41Å; S136-N138 VanDerWaalsContact C-N 3.32Å; S136-N138 PolarHBondContact O-N 2.9Å; S136-S139 PolarHBondContact O-N 3.3Å; S136-A140 PolarHBondContact O-N 3.48Å |
| 137 | I | 98.1 | Very high | 96.6 | Very high | 54 Ų | 54 | 96.3 Ų | 96.3 | 28% | 0.277 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 175.5 | -66.8 | 166.3 | 0 | 0 | 0 | 111.1 | R133 T134 Q135 A140 F141 | R133-I137 HydrophobicContact CG-CD1 4.09Å; R133-I137 WeakPolarHBondContact O-CG1 3.4Å; R133-I137 PolarHBondContact O-N 3.19Å; T134-I137 PolarHBondContact O-N 3.05Å; Q135-I137 VanDerWaalsContact C-N 3.33Å; Q135-I137 PolarHBondContact O-N 3Å; I137-A140 PolarHBondContact O-N 3.16Å; I137-F141 HydrophobicContact CG2-CD2 3.9Å; I137-F141 HydrophobicContact CG2-CE2 4.12Å; I137-F141 WeakPolarHBondContact O-CD2 3.29Å; I137-F141 PolarHBondContact O-N 3.43Å |
| 138 | N | 97.6 | Very high | 96.6 | Very high | 72 Ų | 72 | 91.7 Ų | 91.7 | 39% | 0.385 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69.1 | -34.5 | -179 | -69.3 | -27.8 | 0 | 0 | 0 | 112.4 | T134 Q135 S136 F141 A142 K159 | T134-N138 WeakPolarHBondContact O-CB 3.5Å; T134-N138 PolarHBondContact O-N 2.82Å; T134-N138 PolarHBondContact O-ND2 3.43Å; Q135-N138 PolarHBondContact O-N 3.21Å; Q135-N138 VanDerWaalsContact O-N 3.09Å; S136-N138 VanDerWaalsContact C-N 3.32Å; S136-N138 PolarHBondContact O-N 2.9Å; N138-F141 WeakPolarHBondContact O-CB 3.2Å; N138-F141 PolarHBondContact O-N 3.48Å; N138-A142 PolarHBondContact O-N 3.4Å; N138-K159 PolarHBondContact OD1-NZ 2.98Å |
| 139 | S | 97.4 | Very high | 96.6 | Very high | 59 Ų | 59 | 85.6 Ų | 85.6 | 41% | 0.413 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.1 | -50 | 172.1 | -66.1 | 0 | 0 | 0 | 0 | 111.4 | Q135 S136 F141 A142 E143 | Q135-S139 PolarHBondContact O-N 3.05Å; Q135-S139 PolarHBondContact O-OG 3.43Å; S136-S139 PolarHBondContact O-N 3.3Å; S139-F141 PolarHBondContact O-N 3.46Å; S139-A142 WeakPolarHBondContact O-CA 3.34Å; S139-A142 VanDerWaalsContact O-CB 3.29Å; S139-A142 WeakPolarHBondContact O-CB 3.47Å; S139-A142 PolarHBondContact O-N 3.47Å; S139-E143 PolarHBondContact O-N 3.3Å |
| 140 | A | 97.9 | Very high | 96.3 | Very high | 51 Ų | 51 | 84 Ų | 84 | 42% | 0.421 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.4 | -35.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S136 I137 A142 L144 | S136-A140 PolarHBondContact O-N 3.48Å; I137-A140 PolarHBondContact O-N 3.16Å; A140-A142 VanDerWaalsContact C-N 3.3Å; A140-A142 PolarHBondContact O-N 3.02Å; A140-L144 WeakPolarHBondContact O-CB 3.31Å; A140-L144 PolarHBondContact O-N 3.4Å |
| 141 | F | 97.7 | Very high | 95.9 | Very high | 35 Ų | 35 | 81 Ų | 81 | 15% | 0.154 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.6 | -31 | 172.1 | -102.1 | -78.2 | 0 | 0 | 0 | 113 | I137 N138 S139 R145 K159 T162 L163 | I137-F141 HydrophobicContact CG2-CD2 3.9Å; I137-F141 HydrophobicContact CG2-CE2 4.12Å; I137-F141 WeakPolarHBondContact O-CD2 3.29Å; I137-F141 PolarHBondContact O-N 3.43Å; N138-F141 WeakPolarHBondContact O-CB 3.2Å; N138-F141 PolarHBondContact O-N 3.48Å; S139-F141 PolarHBondContact O-N 3.46Å; F141-R145 WeakPolarHBondContact O-CG 3.44Å; F141-R145 PolarHBondContact O-N 2.87Å; F141-R145 PolarHBondContact O-NH1 2.85Å; F141-K159 HydrophobicContact CD1-CB 4.44Å; F141-K159 HydrophobicContact CD1-CG 4.19Å; F141-K159 HydrophobicContact CE1-CB 3.74Å; F141-K159 HydrophobicContact CE1-CG 3.91Å; F141-K159 HydrophobicContact CE2-CD 4.14Å; F141-K159 HydrophobicContact CE2-CG 4.35Å; F141-K159 HydrophobicContact CZ-CB 3.87Å; F141-K159 HydrophobicContact CZ-CD 4.15Å; F141-K159 HydrophobicContact CZ-CG 3.99Å; F141-T162 HydrophobicContact CD1-CG2 4.14Å; F141-T162 HydrophobicContact CE1-CG2 4.44Å; F141-L163 HydrophobicContact CE1-CD2 4.19Å; F141-L163 HydrophobicContact CE1-CG 4.07Å; F141-L163 HydrophobicContact CZ-CD1 4.26Å; F141-L163 HydrophobicContact CZ-CD2 4.18Å; F141-L163 HydrophobicContact CZ-CG 4.18Å |
| 142 | A | 95 | Very high | 95.3 | Very high | 42 Ų | 42 | 74.9 Ų | 74.9 | 35% | 0.347 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -70.6 | -48.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | N138 S139 A140 L144 R145 E146 | N138-A142 PolarHBondContact O-N 3.4Å; S139-A142 WeakPolarHBondContact O-CA 3.34Å; S139-A142 VanDerWaalsContact O-CB 3.29Å; S139-A142 WeakPolarHBondContact O-CB 3.47Å; S139-A142 PolarHBondContact O-N 3.47Å; A140-A142 VanDerWaalsContact C-N 3.3Å; A140-A142 PolarHBondContact O-N 3.02Å; A142-L144 VanDerWaalsContact C-N 3.29Å; A142-L144 PolarHBondContact O-N 2.96Å; A142-R145 WeakPolarHBondContact O-CA 3.41Å; A142-R145 WeakPolarHBondContact O-CB 3.42Å; A142-R145 PolarHBondContact O-N 3.34Å; A142-E146 PolarHBondContact O-N 2.99Å |
| 143 | E | 95.9 | Very high | 94.5 | Very high | 119 Ų | 119 | 72.7 Ų | 72.7 | 56% | 0.556 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -55.4 | -44.9 | 173.7 | -67.2 | 164.4 | -153 | 0 | 0 | 111.2 | S139 R145 E146 C147 | S139-E143 PolarHBondContact O-N 3.3Å; E143-R145 PolarHBondContact O-N 3.46Å; E143-E146 WeakPolarHBondContact O-CB 3.4Å; E143-E146 PolarHBondContact O-N 3.05Å; E143-C147 PolarHBondContact O-N 2.84Å; E143-C147 PolarHBondContact O-SG 3.25Å |
| 144 | L | 97.1 | Very high | 93.7 | Very high | 56 Ų | 56 | 74.1 Ų | 74.1 | 29% | 0.293 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.1 | -29.8 | 175.8 | -177.2 | 59.9 | 0 | 0 | 0 | 113.2 | A140 A142 I148 T162 L163 A166 | A140-L144 WeakPolarHBondContact O-CB 3.31Å; A140-L144 PolarHBondContact O-N 3.4Å; A142-L144 VanDerWaalsContact C-N 3.29Å; A142-L144 PolarHBondContact O-N 2.96Å; L144-I148 WeakPolarHBondContact O-CG1 3.37Å; L144-T162 HydrophobicContact CB-CG2 4.28Å; L144-T162 HydrophobicContact CD2-CG2 3.74Å; L144-T162 HydrophobicContact CG-CG2 3.77Å; L144-L163 HydrophobicContact CD2-CD2 4.29Å; L144-A166 HydrophobicContact CD1-CB 3.87Å; L144-A166 HydrophobicContact CD2-CB 4.4Å; L144-A166 HydrophobicContact CG-CB 4.31Å |
| 145 | R | 95.8 | Very high | 93.3 | Very high | 68 Ų | 68 | 73.7 Ų | 73.7 | 26% | 0.257 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -72.5 | -34.9 | 176.4 | -71.1 | 175.6 | -169.2 | 94.2 | -4.4 | 111.9 | F141 A142 E143 C147 I148 L157 T162 | F141-R145 WeakPolarHBondContact O-CG 3.44Å; F141-R145 PolarHBondContact O-N 2.87Å; F141-R145 PolarHBondContact O-NH1 2.85Å; A142-R145 WeakPolarHBondContact O-CA 3.41Å; A142-R145 WeakPolarHBondContact O-CB 3.42Å; A142-R145 PolarHBondContact O-N 3.34Å; E143-R145 PolarHBondContact O-N 3.46Å; R145-C147 PolarHBondContact O-N 3.33Å; R145-I148 PolarHBondContact O-N 3.4Å; R145-I148 VanDerWaalsContact O-N 3.11Å; R145-L157 HydrophobicContact CG-CB 4.33Å; R145-L157 HydrophobicContact CG-CD1 4.28Å; R145-L157 PolarHBondContact NE-O 3.14Å; R145-L157 VanDerWaalsContact NE-O 3.1Å; R145-L157 PolarHBondContact NH2-O 2.86Å; R145-L157 VanDerWaalsContact NH2-O 3.08Å; R145-T162 HydrophobicContact CG-CG2 3.84Å; R145-T162 PolarHBondContact NE-OG1 3.37Å |
| 146 | E | 94.6 | Very high | 92.8 | Very high | 164 Ų | 164 | 77.4 Ų | 77.4 | 77% | 0.766 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.5 | -28.8 | 178.3 | -63.9 | 175.1 | -175.1 | 0 | 0 | 111.5 | A142 E143 I148 | A142-E146 PolarHBondContact O-N 2.99Å; E143-E146 WeakPolarHBondContact O-CB 3.4Å; E143-E146 PolarHBondContact O-N 3.05Å; E146-I148 VanDerWaalsContact C-N 3.29Å; E146-I148 PolarHBondContact O-N 3.18Å |
| 147 | C | 95.1 | Very high | 92.5 | Very high | 83 Ų | 83 | 74.4 Ų | 74.4 | 56% | 0.561 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -10.6 | 174.3 | -55.3 | 0 | 0 | 0 | 0 | 114.4 | E143 R145 P149 Y169 | E143-C147 PolarHBondContact O-N 2.84Å; E143-C147 PolarHBondContact O-SG 3.25Å; R145-C147 PolarHBondContact O-N 3.33Å; C147-P149 WeakPolarHBondContact O-CD 3.5Å; C147-Y169 WeakPolarHBondContact O-CE1 3.44Å |
| 148 | I | 95.1 | Very high | 92.3 | Very high | 7 Ų | 7 | 74.8 Ų | 74.8 | 4% | 0.036 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -88.4 | 115.3 | -178.4 | -60.7 | 168.2 | 0 | 0 | 0 | 109.1 | L144 R145 E146 V151 L157 T162 L165 F189 | L144-I148 WeakPolarHBondContact O-CG1 3.37Å; R145-I148 PolarHBondContact O-N 3.4Å; R145-I148 VanDerWaalsContact O-N 3.11Å; E146-I148 VanDerWaalsContact C-N 3.29Å; E146-I148 PolarHBondContact O-N 3.18Å; I148-V151 HydrophobicContact CB-CG2 4.33Å; I148-V151 HydrophobicContact CG2-CG2 3.58Å; I148-L157 HydrophobicContact CD1-CD1 3.83Å; I148-T162 HydrophobicContact CD1-CG2 3.93Å; I148-L165 HydrophobicContact CD1-CB 3.88Å; I148-L165 HydrophobicContact CG1-CB 4.46Å; I148-L165 HydrophobicContact CG2-CB 4.03Å; I148-L165 HydrophobicContact CG2-CD1 4.3Å; I148-F189 HydrophobicContact CG2-CE1 4.47Å |
| 149 | P | 93.2 | Very high | 92.2 | Very high | 37 Ų | 37 | 76.1 Ų | 76.1 | 24% | 0.24 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 159.1 | -178.7 | 30 | -35 | 0 | 0 | 0 | 112 | C147 V151 Y169 F189 | C147-P149 WeakPolarHBondContact O-CD 3.5Å; P149-V151 PolarHBondContact O-N 2.92Å; P149-V151 VanDerWaalsContact O-N 3.17Å; P149-Y169 HydrophobicContact CG-CD2 3.8Å; P149-Y169 HydrophobicContact CG-CE1 4.34Å; P149-Y169 HydrophobicContact CG-CE2 3.59Å; P149-Y169 HydrophobicContact CG-CG 4.31Å; P149-F189 HydrophobicContact CG-CD1 3.57Å; P149-F189 HydrophobicContact CG-CE1 3.9Å; P149-F189 HydrophobicContact CG-CG 4.37Å |
| 150 | N | 88.6 | Confident | 92.2 | Very high | 114 Ų | 114 | 78.4 Ų | 78.4 | 61% | 0.61 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 22.7 | 174.3 | -56.2 | -10.4 | 0 | 0 | 0 | 114.1 | F189 | N150-F189 PolarHBondContact ND2-O 3.31Š|
| 151 | V | 87.7 | Confident | 92 | Very high | 26 Ų | 26 | 79 Ų | 79 | 16% | 0.158 | 43% | 0.428 | C | S | . | . | trans | -110.9 | 119.7 | 169.9 | 178.9 | 0 | 0 | 0 | 0 | 107.5 | I148 P149 T155 L157 A191 L193 | I148-V151 HydrophobicContact CB-CG2 4.33Å; I148-V151 HydrophobicContact CG2-CG2 3.58Å; P149-V151 PolarHBondContact O-N 2.92Å; P149-V151 VanDerWaalsContact O-N 3.17Å; V151-T155 HydrophobicContact CG1-CG2 4.03Å; V151-L157 HydrophobicContact CG1-CD1 3.99Å; V151-L157 HydrophobicContact CG1-CG 4.19Å; V151-L157 HydrophobicContact CG2-CD1 4.31Å; V151-A191 HydrophobicContact CG2-CB 3.58Å; V151-L193 HydrophobicContact CB-CD1 4.45Å; V151-L193 HydrophobicContact CG1-CD1 4.24Å; V151-L193 HydrophobicContact CG2-CD1 4.07Å | ||
| 152 | P | 85.6 | Confident | 92 | Very high | 70 Ų | 70 | 77.4 Ų | 77.4 | 46% | 0.455 | 42% | 0.421 | S | S | . | . | trans | -56.6 | 140.8 | 174.4 | -24.6 | 33.8 | 0 | 0 | 0 | 111.4 | D154 T155 | P152-D154 WeakPolarHBondContact CB-OD1 2.84Å; P152-D154 PolarHBondContact O-N 3.17Å; P152-D154 VanDerWaalsContact O-N 3.11Å; P152-T155 WeakPolarHBondContact CD-OG1 3.41Å; P152-T155 WeakPolarHBondContact O-CB 3.39Å; P152-T155 PolarHBondContact O-N 3.04Å; P152-T155 PolarHBondContact O-OG1 3.25Å | ||
| 153 | A | 78.6 | Confident | 92.1 | Very high | 114 Ų | 114 | 79.6 Ų | 79.6 | 94% | 0.942 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -24.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 154 | D | 82.6 | Confident | 92.1 | Very high | 134 Ų | 134 | 82.4 Ų | 82.4 | 72% | 0.717 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -9.4 | 175.9 | 64.3 | -33.2 | 0 | 0 | 0 | 113.5 | P152 K156 | P152-D154 WeakPolarHBondContact CB-OD1 2.84Å; P152-D154 PolarHBondContact O-N 3.17Å; P152-D154 VanDerWaalsContact O-N 3.11Å; D154-K156 PolarHBondContact O-N 3.06Å |
| 155 | T | 88.4 | Confident | 92.1 | Very high | 45 Ų | 45 | 80.8 Ų | 80.8 | 28% | 0.276 | 42% | 0.424 | S | S | . | . | trans | -74.6 | 113.8 | -177.8 | -64 | 0 | 0 | 0 | 0 | 111.7 | V151 P152 L157 L193 | V151-T155 HydrophobicContact CG1-CG2 4.03Å; P152-T155 WeakPolarHBondContact CD-OG1 3.41Å; P152-T155 WeakPolarHBondContact O-CB 3.39Å; P152-T155 PolarHBondContact O-N 3.04Å; P152-T155 PolarHBondContact O-OG1 3.25Å; T155-L157 PolarHBondContact O-N 3.32Å; T155-L193 HydrophobicContact CG2-CD1 4.26Å; T155-L193 HydrophobicContact CG2-CD2 3.62Å | ||
| 156 | K | 88.8 | Confident | 92.1 | Very high | 205 Ų | 205 | 78.2 Ų | 78.2 | 89% | 0.891 | 42% | 0.417 | S | S | * | . | trans | -77.3 | 94.9 | 176.5 | -67 | -176.4 | -179.7 | 174.9 | 0 | 111.8 | D154 | D154-K156 PolarHBondContact O-N 3.06Š| ||
| 157 | L | 91.3 | Very high | 92.3 | Very high | 7 Ų | 7 | 74.6 Ų | 74.6 | 4% | 0.037 | 41% | 0.406 | C | S | . | . | trans | -75.5 | 130.9 | 169.3 | -68.4 | 176.4 | 0 | 0 | 0 | 112.1 | R145 I148 V151 T155 K161 T162 L165 L193 | R145-L157 HydrophobicContact CG-CB 4.33Å; R145-L157 HydrophobicContact CG-CD1 4.28Å; R145-L157 PolarHBondContact NE-O 3.14Å; R145-L157 VanDerWaalsContact NE-O 3.1Å; R145-L157 PolarHBondContact NH2-O 2.86Å; R145-L157 VanDerWaalsContact NH2-O 3.08Å; I148-L157 HydrophobicContact CD1-CD1 3.83Å; V151-L157 HydrophobicContact CG1-CD1 3.99Å; V151-L157 HydrophobicContact CG1-CG 4.19Å; V151-L157 HydrophobicContact CG2-CD1 4.31Å; T155-L157 PolarHBondContact O-N 3.32Å; L157-K161 HydrophobicContact CD2-CB 4.19Å; L157-T162 VanDerWaalsContact CB-OG1 3.3Å; L157-T162 WeakPolarHBondContact CB-OG1 3.3Å; L157-L165 HydrophobicContact CD1-CD1 3.91Å; L157-L165 HydrophobicContact CD2-CD1 3.84Å; L157-L193 HydrophobicContact CD2-CD2 3.4Å; L157-L193 HydrophobicContact CD2-CG 4.49Å | ||
| 158 | S | 95.3 | Very high | 92.3 | Very high | 63 Ų | 63 | 73.9 Ų | 73.9 | 44% | 0.441 | 40% | 0.402 | S | S | . | . | trans | -67.6 | 155.4 | 169.4 | 75.3 | 0 | 0 | 0 | 0 | 111 | I160 K161 T162 | S158-I160 VanDerWaalsContact C-N 3.27Å; S158-I160 PolarHBondContact O-N 2.82Å; S158-K161 PolarHBondContact O-N 3.17Å; S158-K161 PolarHBondContact OG-N 2.98Å; S158-T162 PolarHBondContact O-N 2.99Å; S158-T162 PolarHBondContact O-OG1 2.94Å | ||
| 159 | K | 95.5 | Very high | 92.4 | Very high | 99 Ų | 99 | 76.5 Ų | 76.5 | 43% | 0.43 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -51.9 | -44.9 | -179.8 | -65.6 | -172.9 | 177.1 | -171.6 | 0 | 112.4 | N138 F141 T162 L163 | N138-K159 PolarHBondContact OD1-NZ 2.98Å; F141-K159 HydrophobicContact CD1-CB 4.44Å; F141-K159 HydrophobicContact CD1-CG 4.19Å; F141-K159 HydrophobicContact CE1-CB 3.74Å; F141-K159 HydrophobicContact CE1-CG 3.91Å; F141-K159 HydrophobicContact CE2-CD 4.14Å; F141-K159 HydrophobicContact CE2-CG 4.35Å; F141-K159 HydrophobicContact CZ-CB 3.87Å; F141-K159 HydrophobicContact CZ-CD 4.15Å; F141-K159 HydrophobicContact CZ-CG 3.99Å; K159-T162 PolarHBondContact O-N 3.4Å; K159-L163 VanDerWaalsContact O-CG 3.29Å; K159-L163 WeakPolarHBondContact O-CG 3.35Å; K159-L163 PolarHBondContact O-N 3.17Å |
| 160 | I | 96.5 | Very high | 92.6 | Very high | 108 Ų | 108 | 79.6 Ų | 79.6 | 55% | 0.554 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -64.4 | -43.9 | 177.6 | -66 | 172.7 | 0 | 0 | 0 | 111.4 | S158 L163 R164 | S158-I160 VanDerWaalsContact C-N 3.27Å; S158-I160 PolarHBondContact O-N 2.82Å; I160-L163 PolarHBondContact O-N 3.12Å; I160-R164 HydrophobicContact CG2-CG 4.46Å; I160-R164 WeakPolarHBondContact O-CG 3.36Å; I160-R164 PolarHBondContact O-N 2.97Å |
| 161 | K | 94.8 | Very high | 92.9 | Very high | 64 Ų | 64 | 77.1 Ų | 77.1 | 28% | 0.278 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 178.7 | -78.9 | -173.5 | 169.7 | 179.5 | 0 | 111.2 | L157 S158 L163 R164 L165 K194 | L157-K161 HydrophobicContact CD2-CB 4.19Å; S158-K161 PolarHBondContact O-N 3.17Å; S158-K161 PolarHBondContact OG-N 2.98Å; K161-L163 PolarHBondContact O-N 3.41Å; K161-R164 PolarHBondContact O-N 3.23Å; K161-L165 WeakPolarHBondContact O-CB 3.49Å; K161-L165 WeakPolarHBondContact O-CG 3.48Å; K161-L165 PolarHBondContact O-N 3.33Å; K161-K194 PolarHBondContact NZ-O 3.41Å; K161-K194 VanDerWaalsContact NZ-O 3.14Å |
| 162 | T | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -56.2 | -50 | 175.4 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | F141 L144 R145 I148 L157 S158 K159 R164 L165 A166 | F141-T162 HydrophobicContact CD1-CG2 4.14Å; F141-T162 HydrophobicContact CE1-CG2 4.44Å; L144-T162 HydrophobicContact CB-CG2 4.28Å; L144-T162 HydrophobicContact CD2-CG2 3.74Å; L144-T162 HydrophobicContact CG-CG2 3.77Å; R145-T162 HydrophobicContact CG-CG2 3.84Å; R145-T162 PolarHBondContact NE-OG1 3.37Å; I148-T162 HydrophobicContact CD1-CG2 3.93Å; L157-T162 VanDerWaalsContact CB-OG1 3.3Å; L157-T162 WeakPolarHBondContact CB-OG1 3.3Å; S158-T162 PolarHBondContact O-N 2.99Å; S158-T162 PolarHBondContact O-OG1 2.94Å; K159-T162 PolarHBondContact O-N 3.4Å; T162-R164 PolarHBondContact O-N 3.45Å; T162-L165 PolarHBondContact O-N 3.1Å; T162-A166 VanDerWaalsContact O-CB 3.31Å; T162-A166 WeakPolarHBondContact O-CB 3.29Å; T162-A166 PolarHBondContact O-N 2.89Å |
| 163 | L | 97.8 | Very high | 93.5 | Very high | 88 Ų | 88 | 78 Ų | 78 | 46% | 0.461 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | -179.9 | -68 | 174.1 | 0 | 0 | 0 | 112.5 | F141 L144 K159 I160 K161 T167 | F141-L163 HydrophobicContact CE1-CD2 4.19Å; F141-L163 HydrophobicContact CE1-CG 4.07Å; F141-L163 HydrophobicContact CZ-CD1 4.26Å; F141-L163 HydrophobicContact CZ-CD2 4.18Å; F141-L163 HydrophobicContact CZ-CG 4.18Å; L144-L163 HydrophobicContact CD2-CD2 4.29Å; K159-L163 VanDerWaalsContact O-CG 3.29Å; K159-L163 WeakPolarHBondContact O-CG 3.35Å; K159-L163 PolarHBondContact O-N 3.17Å; I160-L163 PolarHBondContact O-N 3.12Å; K161-L163 PolarHBondContact O-N 3.41Å; L163-T167 WeakPolarHBondContact O-CB 3.31Å; L163-T167 PolarHBondContact O-N 3.05Å; L163-T167 PolarHBondContact O-OG1 3.06Å |
| 164 | R | 96 | Very high | 94.3 | Very high | 178 Ų | 178 | 77.1 Ų | 77.1 | 67% | 0.672 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.1 | -49.2 | 177.9 | -73.4 | 177.2 | 178 | -176.9 | -1.7 | 111.8 | I160 K161 T162 T167 S168 | I160-R164 HydrophobicContact CG2-CG 4.46Å; I160-R164 WeakPolarHBondContact O-CG 3.36Å; I160-R164 PolarHBondContact O-N 2.97Å; K161-R164 PolarHBondContact O-N 3.23Å; T162-R164 PolarHBondContact O-N 3.45Å; R164-T167 PolarHBondContact O-N 3.22Å; R164-S168 PolarHBondContact O-N 3.1Å; R164-S168 PolarHBondContact O-OG 3.23Å |
| 165 | L | 96.2 | Very high | 94.6 | Very high | 23 Ų | 23 | 74.5 Ų | 74.5 | 12% | 0.12 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.1 | -41.8 | -179.7 | -72.1 | 174 | 0 | 0 | 0 | 112 | I148 L157 K161 T162 T167 S168 Y169 A191 | I148-L165 HydrophobicContact CD1-CB 3.88Å; I148-L165 HydrophobicContact CG1-CB 4.46Å; I148-L165 HydrophobicContact CG2-CB 4.03Å; I148-L165 HydrophobicContact CG2-CD1 4.3Å; L157-L165 HydrophobicContact CD1-CD1 3.91Å; L157-L165 HydrophobicContact CD2-CD1 3.84Å; K161-L165 WeakPolarHBondContact O-CB 3.49Å; K161-L165 WeakPolarHBondContact O-CG 3.48Å; K161-L165 PolarHBondContact O-N 3.33Å; T162-L165 PolarHBondContact O-N 3.1Å; L165-T167 VanDerWaalsContact C-N 3.35Å; L165-T167 PolarHBondContact O-N 3.08Å; L165-S168 PolarHBondContact O-N 2.92Å; L165-Y169 WeakPolarHBondContact O-CB 3.34Å; L165-Y169 PolarHBondContact O-N 2.88Å; L165-A191 HydrophobicContact CD1-CB 4.4Å; L165-A191 HydrophobicContact CD2-CB 4.06Å |
| 166 | A | 97.4 | Very high | 94.7 | Very high | 14 Ų | 14 | 74 Ų | 74 | 12% | 0.116 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L144 T162 Y169 I170 | L144-A166 HydrophobicContact CD1-CB 3.87Å; L144-A166 HydrophobicContact CD2-CB 4.4Å; L144-A166 HydrophobicContact CG-CB 4.31Å; T162-A166 VanDerWaalsContact O-CB 3.31Å; T162-A166 WeakPolarHBondContact O-CB 3.29Å; T162-A166 PolarHBondContact O-N 2.89Å; A166-Y169 PolarHBondContact O-N 3.31Å; A166-I170 WeakPolarHBondContact O-CG1 3.44Å; A166-I170 PolarHBondContact O-N 3.43Å |
| 167 | T | 97.3 | Very high | 94.8 | Very high | 88 Ų | 88 | 69.5 Ų | 69.5 | 54% | 0.54 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.9 | -48.1 | 176.3 | -53.4 | 0 | 0 | 0 | 0 | 111 | L163 R164 L165 Y169 I170 S171 | L163-T167 WeakPolarHBondContact O-CB 3.31Å; L163-T167 PolarHBondContact O-N 3.05Å; L163-T167 PolarHBondContact O-OG1 3.06Å; R164-T167 PolarHBondContact O-N 3.22Å; L165-T167 VanDerWaalsContact C-N 3.35Å; L165-T167 PolarHBondContact O-N 3.08Å; T167-Y169 VanDerWaalsContact C-N 3.26Å; T167-Y169 PolarHBondContact O-N 2.9Å; T167-I170 PolarHBondContact O-N 3.1Å; T167-S171 PolarHBondContact O-N 3.09Å; T167-S171 PolarHBondContact O-OG 3.4Å |
| 168 | S | 95.9 | Very high | 94.7 | Very high | 67 Ų | 67 | 75.7 Ų | 75.7 | 47% | 0.469 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.1 | -35.8 | 176.7 | -61.6 | 0 | 0 | 0 | 0 | 112.6 | R164 L165 Y172 | R164-S168 PolarHBondContact O-N 3.1Å; R164-S168 PolarHBondContact O-OG 3.23Å; L165-S168 PolarHBondContact O-N 2.92Å; S168-Y172 WeakPolarHBondContact O-CB 3.49Å; S168-Y172 PolarHBondContact O-N 3.32Å |
| 169 | Y | 96.8 | Very high | 94 | Very high | 63 Ų | 63 | 77.6 Ų | 77.6 | 25% | 0.247 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -69.9 | -41.4 | 178.5 | -176.2 | -132.3 | 0 | 0 | 0 | 111.7 | C147 P149 L165 A166 T167 S171 Y172 L173 F189 | C147-Y169 WeakPolarHBondContact O-CE1 3.44Å; P149-Y169 HydrophobicContact CG-CD2 3.8Å; P149-Y169 HydrophobicContact CG-CE1 4.34Å; P149-Y169 HydrophobicContact CG-CE2 3.59Å; P149-Y169 HydrophobicContact CG-CG 4.31Å; L165-Y169 WeakPolarHBondContact O-CB 3.34Å; L165-Y169 PolarHBondContact O-N 2.88Å; A166-Y169 PolarHBondContact O-N 3.31Å; T167-Y169 VanDerWaalsContact C-N 3.26Å; T167-Y169 PolarHBondContact O-N 2.9Å; Y169-S171 PolarHBondContact O-N 3.27Å; Y169-Y172 AromaticContact CD2-CD1 3.99Å; Y169-Y172 HydrophobicContact CD2-CD1 3.99Å; Y169-Y172 HydrophobicContact CE2-CD1 4.01Å; Y169-Y172 HydrophobicContact CE2-CE1 4.39Å; Y169-Y172 WeakPolarHBondContact O-CB 3.48Å; Y169-Y172 PolarHBondContact O-N 3.11Å; Y169-L173 HydrophobicContact CD1-CD1 4.23Å; Y169-L173 HydrophobicContact CD2-CG 4.23Å; Y169-L173 HydrophobicContact CE1-CD1 3.8Å; Y169-L173 HydrophobicContact CE1-CG 4.46Å; Y169-L173 HydrophobicContact CE2-CD1 4.08Å; Y169-L173 HydrophobicContact CE2-CD2 3.81Å; Y169-L173 HydrophobicContact CE2-CG 3.84Å; Y169-L173 WeakPolarHBondContact O-CG 3.4Å; Y169-L173 PolarHBondContact O-N 3.43Å; Y169-F189 HydrophobicContact CD2-CD1 4.29Å; Y169-F189 HydrophobicContact CD2-CD2 4.03Å; Y169-F189 HydrophobicContact CD2-CE1 4.49Å; Y169-F189 HydrophobicContact CD2-CE2 4.29Å; Y169-F189 HydrophobicContact CD2-CG 4.02Å; Y169-F189 HydrophobicContact CD2-CZ 4.49Å |
| 170 | I | 96.6 | Very high | 92.6 | Very high | 102 Ų | 102 | 77.2 Ų | 77.2 | 52% | 0.523 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -57.8 | -50.9 | 172.7 | -66.8 | 164.8 | 0 | 0 | 0 | 110 | A166 T167 Y172 L173 M174 | A166-I170 WeakPolarHBondContact O-CG1 3.44Å; A166-I170 PolarHBondContact O-N 3.43Å; T167-I170 PolarHBondContact O-N 3.1Å; I170-Y172 VanDerWaalsContact C-N 3.3Å; I170-Y172 PolarHBondContact O-N 3.01Å; I170-L173 PolarHBondContact O-N 3.46Å; I170-L173 VanDerWaalsContact O-N 3.13Å; I170-M174 HydrophobicContact CG2-CG 4.36Å; I170-M174 WeakPolarHBondContact O-CG 3.4Å; I170-M174 PolarHBondContact O-N 3.4Å |
| 171 | S | 94.8 | Very high | 90.9 | Very high | 62 Ų | 62 | 75.7 Ų | 75.7 | 43% | 0.434 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -57.5 | -42.8 | 178 | -60.4 | 0 | 0 | 0 | 0 | 112.5 | T167 Y169 L173 M174 D175 | T167-S171 PolarHBondContact O-N 3.09Å; T167-S171 PolarHBondContact O-OG 3.4Å; Y169-S171 PolarHBondContact O-N 3.27Å; S171-L173 PolarHBondContact O-N 3.39Å; S171-M174 PolarHBondContact O-N 3.11Å; S171-D175 PolarHBondContact O-N 3.34Å |
| 172 | Y | 94 | Very high | 89.2 | Confident | 56 Ų | 56 | 81.1 Ų | 81.1 | 22% | 0.22 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 175.7 | 167.6 | -101.9 | 0 | 0 | 0 | 112.7 | S168 Y169 I170 D175 I176 Q187 F189 | S168-Y172 WeakPolarHBondContact O-CB 3.49Å; S168-Y172 PolarHBondContact O-N 3.32Å; Y169-Y172 AromaticContact CD2-CD1 3.99Å; Y169-Y172 HydrophobicContact CD2-CD1 3.99Å; Y169-Y172 HydrophobicContact CE2-CD1 4.01Å; Y169-Y172 HydrophobicContact CE2-CE1 4.39Å; Y169-Y172 WeakPolarHBondContact O-CB 3.48Å; Y169-Y172 PolarHBondContact O-N 3.11Å; I170-Y172 VanDerWaalsContact C-N 3.3Å; I170-Y172 PolarHBondContact O-N 3.01Å; Y172-D175 PolarHBondContact O-N 3.33Å; Y172-I176 HydrophobicContact CD1-CD1 3.77Å; Y172-I176 HydrophobicContact CD2-CD1 4.34Å; Y172-I176 HydrophobicContact CE1-CD1 3.2Å; Y172-I176 HydrophobicContact CE1-CG1 4.34Å; Y172-I176 HydrophobicContact CE2-CD1 3.83Å; Y172-I176 HydrophobicContact CE2-CG1 4.18Å; Y172-I176 HydrophobicContact CG-CD1 4.33Å; Y172-I176 WeakPolarHBondContact O-CG1 3.33Å; Y172-I176 PolarHBondContact O-N 3.04Å; Y172-Q187 WeakPolarHBondContact CE2-O 3.5Å; Y172-F189 HydrophobicContact CD1-CB 3.72Å; Y172-F189 HydrophobicContact CD1-CD2 4.31Å; Y172-F189 HydrophobicContact CD1-CG 4.37Å; Y172-F189 HydrophobicContact CD2-CB 4.22Å; Y172-F189 HydrophobicContact CE1-CB 3.7Å; Y172-F189 HydrophobicContact CE2-CB 4.23Å; Y172-F189 HydrophobicContact CG-CB 3.96Å; Y172-F189 HydrophobicContact CG-CD2 4.09Å; Y172-F189 HydrophobicContact CG-CG 4.49Å |
| 173 | L | 93.8 | Very high | 87.4 | Confident | 59 Ų | 59 | 88.4 Ų | 88.4 | 31% | 0.309 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.8 | -39 | 177.2 | -67.5 | 177.2 | 0 | 0 | 0 | 111.8 | Y169 I170 S171 I176 L177 | Y169-L173 HydrophobicContact CD1-CD1 4.23Å; Y169-L173 HydrophobicContact CD2-CG 4.23Å; Y169-L173 HydrophobicContact CE1-CD1 3.8Å; Y169-L173 HydrophobicContact CE1-CG 4.46Å; Y169-L173 HydrophobicContact CE2-CD1 4.08Å; Y169-L173 HydrophobicContact CE2-CD2 3.81Å; Y169-L173 HydrophobicContact CE2-CG 3.84Å; Y169-L173 WeakPolarHBondContact O-CG 3.4Å; Y169-L173 PolarHBondContact O-N 3.43Å; I170-L173 PolarHBondContact O-N 3.46Å; I170-L173 VanDerWaalsContact O-N 3.13Å; S171-L173 PolarHBondContact O-N 3.39Å; L173-I176 HydrophobicContact CD2-CD1 4.34Å; L173-I176 PolarHBondContact O-N 2.93Å; L173-L177 VanDerWaalsContact O-CG 3.32Å; L173-L177 WeakPolarHBondContact O-CG 3.46Å; L173-L177 PolarHBondContact O-N 3.25Å; L173-L177 VanDerWaalsContact O-N 3.12Å |
| 174 | M | 93.8 | Very high | 85.4 | Confident | 94 Ų | 94 | 87 Ų | 87 | 46% | 0.463 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 174.5 | -61.4 | -60.9 | 94.7 | 0 | 0 | 111 | I170 S171 I176 L177 D178 | I170-M174 HydrophobicContact CG2-CG 4.36Å; I170-M174 WeakPolarHBondContact O-CG 3.4Å; I170-M174 PolarHBondContact O-N 3.4Å; S171-M174 PolarHBondContact O-N 3.11Å; M174-I176 VanDerWaalsContact C-N 3.29Å; M174-I176 PolarHBondContact O-N 3.08Å; M174-L177 HydrophobicContact CE-CD1 3.88Å; M174-L177 PolarHBondContact O-N 2.88Å; M174-D178 PolarHBondContact O-N 3.24Å |
| 175 | D | 90.7 | Very high | 83.8 | Confident | 79 Ų | 79 | 85.8 Ų | 85.8 | 42% | 0.422 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.6 | -36.1 | 177.6 | -73.4 | -6.2 | 0 | 0 | 0 | 112.6 | S171 Y172 K179 | S171-D175 PolarHBondContact O-N 3.34Å; Y172-D175 PolarHBondContact O-N 3.33Å; D175-K179 VanDerWaalsContact O-CB 3.26Å; D175-K179 WeakPolarHBondContact O-CB 3.21Å; D175-K179 VanDerWaalsContact O-CD 3.29Å; D175-K179 WeakPolarHBondContact O-CD 3.1Å; D175-K179 WeakPolarHBondContact O-CG 3.48Å; D175-K179 PolarHBondContact O-N 3.37Å; D175-K179 VanDerWaalsContact O-N 3.17Å |
| 176 | I | 90.6 | Very high | 82.3 | Confident | 34 Ų | 34 | 86.9 Ų | 86.9 | 17% | 0.174 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -64.8 | -50.9 | 174.9 | -69.7 | 161.8 | 0 | 0 | 0 | 110.1 | Y172 L173 M174 D178 K179 D180 | Y172-I176 HydrophobicContact CD1-CD1 3.77Å; Y172-I176 HydrophobicContact CD2-CD1 4.34Å; Y172-I176 HydrophobicContact CE1-CD1 3.2Å; Y172-I176 HydrophobicContact CE1-CG1 4.34Å; Y172-I176 HydrophobicContact CE2-CD1 3.83Å; Y172-I176 HydrophobicContact CE2-CG1 4.18Å; Y172-I176 HydrophobicContact CG-CD1 4.33Å; Y172-I176 WeakPolarHBondContact O-CG1 3.33Å; Y172-I176 PolarHBondContact O-N 3.04Å; L173-I176 HydrophobicContact CD2-CD1 4.34Å; L173-I176 PolarHBondContact O-N 2.93Å; M174-I176 VanDerWaalsContact C-N 3.29Å; M174-I176 PolarHBondContact O-N 3.08Å; I176-D178 PolarHBondContact O-N 3.4Å; I176-K179 CarbonylContact O-C 3.46Å; I176-K179 WeakPolarHBondContact O-CA 3.48Å; I176-K179 PolarHBondContact O-N 3.4Å; I176-D180 VanDerWaalsContact O-CG 3.26Å; I176-D180 PolarHBondContact O-N 3.4Å |
| 177 | L | 90.2 | Very high | 81.2 | Confident | 111 Ų | 111 | 94.2 Ų | 94.2 | 58% | 0.581 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.3 | -35.9 | -178 | -68 | 172.1 | 0 | 0 | 0 | 111.9 | L173 M174 K179 | L173-L177 VanDerWaalsContact O-CG 3.32Å; L173-L177 WeakPolarHBondContact O-CG 3.46Å; L173-L177 PolarHBondContact O-N 3.25Å; L173-L177 VanDerWaalsContact O-N 3.12Å; M174-L177 HydrophobicContact CE-CD1 3.88Å; M174-L177 PolarHBondContact O-N 2.88Å; L177-K179 VanDerWaalsContact C-N 3.32Å |
| 178 | D | 88.3 | Confident | 80.5 | Confident | 138 Ų | 138 | 93.9 Ų | 93.9 | 74% | 0.738 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -71.9 | -26.8 | 175.4 | -70.4 | -18.9 | 0 | 0 | 0 | 112.6 | M174 I176 | M174-D178 PolarHBondContact O-N 3.24Å; I176-D178 PolarHBondContact O-N 3.4Å |
| 179 | K | 81.8 | Confident | 80.2 | Confident | 103 Ų | 103 | 91.8 Ų | 91.8 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -96.7 | -0.6 | -177.3 | -71.2 | 172.3 | -176.4 | 173 | 0 | 114.3 | D175 I176 L177 G181 Q182 T186 | D175-K179 VanDerWaalsContact O-CB 3.26Å; D175-K179 WeakPolarHBondContact O-CB 3.21Å; D175-K179 VanDerWaalsContact O-CD 3.29Å; D175-K179 WeakPolarHBondContact O-CD 3.1Å; D175-K179 WeakPolarHBondContact O-CG 3.48Å; D175-K179 PolarHBondContact O-N 3.37Å; D175-K179 VanDerWaalsContact O-N 3.17Å; I176-K179 CarbonylContact O-C 3.46Å; I176-K179 WeakPolarHBondContact O-CA 3.48Å; I176-K179 PolarHBondContact O-N 3.4Å; L177-K179 VanDerWaalsContact C-N 3.32Å; K179-G181 PolarHBondContact O-N 2.99Å; K179-Q182 CarbonylContact O-C 3.46Å; K179-Q182 PolarHBondContact O-N 3.44Å; K179-T186 HydrophobicContact CB-CG2 4.36Å; K179-T186 HydrophobicContact CD-CG2 3.44Å; K179-T186 VanDerWaalsContact CD-CG2 3.44Å |
| 180 | D | 65.5 | Low | 79.6 | Confident | 90 Ų | 90 | 97.5 Ų | 97.5 | 48% | 0.481 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 7.1 | -179.9 | -77.7 | -28.3 | 0 | 0 | 0 | 114.7 | I176 H183 | I176-D180 VanDerWaalsContact O-CG 3.26Å; I176-D180 PolarHBondContact O-N 3.4Å; D180-H183 IonicContact OD1-ND1 3.65Å |
| 181 | G | 59.9 | Low | 79.2 | Confident | 77 Ų | 77 | 93.1 Ų | 93.1 | 79% | 0.794 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -11.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 116 | K179 | K179-G181 PolarHBondContact O-N 2.99Š|
| 182 | Q | 60.4 | Low | 78.5 | Confident | 178 Ų | 178 | 96.7 Ų | 96.7 | 83% | 0.832 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -143.7 | 65.7 | -178.6 | -67.1 | -170.3 | 4.7 | 0 | 0 | 110.1 | K179 G184 | K179-Q182 CarbonylContact O-C 3.46Å; K179-Q182 PolarHBondContact O-N 3.44Å; Q182-G184 PolarHBondContact O-N 2.9Å; Q182-G184 VanDerWaalsContact O-N 3.16Å |
| 183 | H | 57.8 | Low | 77.9 | Confident | 152 Ų | 152 | 96.9 Ų | 96.9 | 70% | 0.704 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 101.7 | -177 | -152.9 | 83.7 | 0 | 0 | 0 | 110.6 | D180 | D180-H183 IonicContact OD1-ND1 3.65Š|
| 184 | G | 56.3 | Low | 77 | Confident | 59 Ų | 59 | 100.4 Ų | 100.4 | 61% | 0.608 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -155.7 | -44.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q182 | Q182-G184 PolarHBondContact O-N 2.9Å; Q182-G184 VanDerWaalsContact O-N 3.16Å |
| 185 | D | 60.8 | Low | 75.3 | Confident | 153 Ų | 153 | 103.7 Ų | 103.7 | 82% | 0.818 | 55% | 0.55 | S | S | * | * | trans | -129 | 15.2 | -161.8 | -65.3 | -38.2 | 0 | 0 | 0 | 116 | Q187 | D185-Q187 PolarHBondContact O-N 3.37Š| ||
| 186 | T | 65.9 | Low | 73.6 | Confident | 46 Ų | 46 | 104.1 Ų | 104.1 | 28% | 0.282 | 56% | 0.556 | S | S | . | * | trans | -69.6 | 104.6 | 176.6 | 46.7 | 0 | 0 | 0 | 0 | 110.6 | K179 A188 | K179-T186 HydrophobicContact CB-CG2 4.36Å; K179-T186 HydrophobicContact CD-CG2 3.44Å; K179-T186 VanDerWaalsContact CD-CG2 3.44Å; T186-A188 PolarHBondContact O-N 2.93Å | ||
| 187 | Q | 73.9 | Confident | 71.7 | Confident | 168 Ų | 168 | 108 Ų | 108 | 79% | 0.785 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 125.4 | 174.6 | -67.7 | -69.5 | -38.2 | 0 | 0 | 110.8 | Y172 D185 F189 | Y172-Q187 WeakPolarHBondContact CE2-O 3.5Å; D185-Q187 PolarHBondContact O-N 3.37Å; Q187-F189 PolarHBondContact O-N 3.28Å |
| 188 | A | 83.2 | Confident | 69.9 | Low | 80 Ų | 80 | 105.9 Ų | 105.9 | 66% | 0.661 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 138.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T186 K190 | T186-A188 PolarHBondContact O-N 2.93Å; A188-K190 PolarHBondContact O-N 3.23Å |
| 189 | F | 88.8 | Confident | 68.3 | Low | 23 Ų | 23 | 109.3 Ų | 109.3 | 10% | 0.101 | 57% | 0.574 | C | S | . | * | P | Polyproline II helix | trans | -57.6 | 126.4 | 178.3 | 179.6 | -89.2 | 0 | 0 | 0 | 111.7 | I148 P149 N150 Y169 Y172 Q187 A191 | I148-F189 HydrophobicContact CG2-CE1 4.47Å; P149-F189 HydrophobicContact CG-CD1 3.57Å; P149-F189 HydrophobicContact CG-CE1 3.9Å; P149-F189 HydrophobicContact CG-CG 4.37Å; N150-F189 PolarHBondContact ND2-O 3.31Å; Y169-F189 HydrophobicContact CD2-CD1 4.29Å; Y169-F189 HydrophobicContact CD2-CD2 4.03Å; Y169-F189 HydrophobicContact CD2-CE1 4.49Å; Y169-F189 HydrophobicContact CD2-CE2 4.29Å; Y169-F189 HydrophobicContact CD2-CG 4.02Å; Y169-F189 HydrophobicContact CD2-CZ 4.49Å; Y172-F189 HydrophobicContact CD1-CB 3.72Å; Y172-F189 HydrophobicContact CD1-CD2 4.31Å; Y172-F189 HydrophobicContact CD1-CG 4.37Å; Y172-F189 HydrophobicContact CD2-CB 4.22Å; Y172-F189 HydrophobicContact CE1-CB 3.7Å; Y172-F189 HydrophobicContact CE2-CB 4.23Å; Y172-F189 HydrophobicContact CG-CB 3.96Å; Y172-F189 HydrophobicContact CG-CD2 4.09Å; Y172-F189 HydrophobicContact CG-CG 4.49Å; Q187-F189 PolarHBondContact O-N 3.28Å; F189-A191 HydrophobicContact CE1-CB 4.11Å |
| 190 | K | 84.5 | Confident | 67.1 | Low | 183 Ų | 183 | 111.7 Ų | 111.7 | 80% | 0.796 | 59% | 0.587 | S | S | * | * | trans | -121.1 | 113.2 | 177.1 | -168.9 | 175.6 | -177.7 | 177.9 | 0 | 110.3 | A188 E192 | A188-K190 PolarHBondContact O-N 3.23Å; K190-E192 PolarHBondContact O-N 3.3Å | ||
| 191 | A | 87.9 | Confident | 66.5 | Low | 10 Ų | 10 | 112.6 Ų | 112.6 | 8% | 0.083 | 59% | 0.588 | C | S | . | * | trans | -67.9 | 104 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110 | V151 L165 F189 L193 | V151-A191 HydrophobicContact CG2-CB 3.58Å; L165-A191 HydrophobicContact CD1-CB 4.4Å; L165-A191 HydrophobicContact CD2-CB 4.06Å; F189-A191 HydrophobicContact CE1-CB 4.11Å; A191-L193 VanDerWaalsContact C-N 3.31Å; A191-L193 PolarHBondContact O-N 3.18Å | ||
| 192 | E | 81.1 | Confident | 66.4 | Low | 138 Ų | 138 | 117.2 Ų | 117.2 | 65% | 0.645 | 58% | 0.581 | S | S | * | * | trans | -74.7 | 83.9 | 179.2 | -159.5 | -173 | -178.6 | 0 | 0 | 111.1 | K190 K194 | K190-E192 PolarHBondContact O-N 3.3Å; E192-K194 VanDerWaalsContact CD-CE 3.43Å; E192-K194 HydrophobicContact CG-CG 4.32Å; E192-K194 PolarHBondContact O-N 3.44Å; E192-K194 VanDerWaalsContact O-N 3.12Å; E192-K194 WeakPolarHBondContact OE1-CE 3.31Å; E192-K194 IonicContact OE1-NZ 3.54Å | ||
| 193 | L | 81 | Confident | 66.4 | Low | 59 Ų | 59 | 118.7 Ų | 118.7 | 31% | 0.309 | 58% | 0.579 | S | S | . | * | trans | -80.4 | 79.2 | 172.5 | -79.1 | 151.5 | 0 | 0 | 0 | 110.1 | V151 T155 L157 A191 K195 | V151-L193 HydrophobicContact CB-CD1 4.45Å; V151-L193 HydrophobicContact CG1-CD1 4.24Å; V151-L193 HydrophobicContact CG2-CD1 4.07Å; T155-L193 HydrophobicContact CG2-CD1 4.26Å; T155-L193 HydrophobicContact CG2-CD2 3.62Å; L157-L193 HydrophobicContact CD2-CD2 3.4Å; L157-L193 HydrophobicContact CD2-CG 4.49Å; A191-L193 VanDerWaalsContact C-N 3.31Å; A191-L193 PolarHBondContact O-N 3.18Å; L193-K195 PolarHBondContact O-N 2.99Å | ||
| 194 | K | 74.2 | Confident | 66.4 | Low | 134 Ų | 134 | 119.1 Ų | 119.1 | 58% | 0.583 | 58% | 0.579 | S | S | * | * | trans | -59.7 | 113.4 | 168.2 | -66.6 | -173.7 | -177.1 | 179.2 | 0 | 108.5 | K161 E192 T196 | K161-K194 PolarHBondContact NZ-O 3.41Å; K161-K194 VanDerWaalsContact NZ-O 3.14Å; E192-K194 VanDerWaalsContact CD-CE 3.43Å; E192-K194 HydrophobicContact CG-CG 4.32Å; E192-K194 PolarHBondContact O-N 3.44Å; E192-K194 VanDerWaalsContact O-N 3.12Å; E192-K194 WeakPolarHBondContact OE1-CE 3.31Å; E192-K194 IonicContact OE1-NZ 3.54Å; K194-T196 PolarHBondContact O-N 3.31Å | ||
| 195 | K | 58 | Low | 66.4 | Low | 163 Ų | 163 | 121.6 Ų | 121.6 | 71% | 0.709 | 57% | 0.573 | S | S | * | * | trans | -67.9 | 78.9 | -177.7 | -158.1 | 173.1 | -178.4 | 180 | 0 | 109.1 | L193 E197 | L193-K195 PolarHBondContact O-N 2.99Å; K195-E197 WeakPolarHBondContact CE-OE1 3.26Å; K195-E197 VanDerWaalsContact CE-OE2 3.26Å; K195-E197 WeakPolarHBondContact CE-OE2 2.76Å; K195-E197 HydrophobicContact CG-CB 4.45Å; K195-E197 HydrophobicContact CG-CG 3.84Å; K195-E197 IonicContact NZ-OE1 2.88Å; K195-E197 IonicContact NZ-OE2 2.96Å; K195-E197 PolarHBondContact O-N 3.29Å | ||
| 196 | T | 54.8 | Low | 66.2 | Low | 88 Ų | 88 | 121.3 Ų | 121.3 | 54% | 0.54 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.9 | 53.2 | 172 | 56.2 | 0 | 0 | 0 | 0 | 109.8 | K194 A198 | K194-T196 PolarHBondContact O-N 3.31Å; T196-A198 PolarHBondContact O-N 2.85Å |
| 197 | E | 52 | Low | 65.9 | Low | 115 Ų | 115 | 122.7 Ų | 122.7 | 54% | 0.537 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.9 | -21.9 | 167.6 | -76.3 | -174.9 | -168.4 | 0 | 0 | 110.7 | K195 R199 E200 E201 | K195-E197 WeakPolarHBondContact CE-OE1 3.26Å; K195-E197 VanDerWaalsContact CE-OE2 3.26Å; K195-E197 WeakPolarHBondContact CE-OE2 2.76Å; K195-E197 HydrophobicContact CG-CB 4.45Å; K195-E197 HydrophobicContact CG-CG 3.84Å; K195-E197 IonicContact NZ-OE1 2.88Å; K195-E197 IonicContact NZ-OE2 2.96Å; K195-E197 PolarHBondContact O-N 3.29Å; E197-R199 VanDerWaalsContact C-N 3.29Å; E197-R199 PolarHBondContact O-N 2.78Å; E197-E200 PolarHBondContact O-N 3.47Å; E197-E201 PolarHBondContact O-N 2.87Å |
| 198 | A | 52.1 | Low | 65.2 | Low | 66 Ų | 66 | 120.6 Ų | 120.6 | 55% | 0.545 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60.6 | -29.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | T196 R202 | T196-A198 PolarHBondContact O-N 2.85Å; A198-R202 WeakPolarHBondContact O-CG 3.38Å; A198-R202 PolarHBondContact O-N 3.14Å |
| 199 | R | 55.2 | Low | 63.7 | Low | 210 Ų | 210 | 124.5 Ų | 124.5 | 79% | 0.792 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -80.3 | -30.8 | -178.5 | -170.3 | 174 | 179.8 | -169.4 | 0.8 | 112.3 | E197 | E197-R199 VanDerWaalsContact C-N 3.29Å; E197-R199 PolarHBondContact O-N 2.78Å |
| 200 | E | 56.3 | Low | 61.9 | Low | 154 Ų | 154 | 130.4 Ų | 130.4 | 72% | 0.72 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -75 | -38.1 | 176.2 | -172.9 | 165 | -160.5 | 0 | 0 | 110.9 | E197 R203 K204 | E197-E200 PolarHBondContact O-N 3.47Å; E200-R203 PolarHBondContact O-N 3.28Å; E200-K204 PolarHBondContact O-N 3.4Å |
| 201 | E | 53.3 | Low | 60.3 | Low | 108 Ų | 108 | 126.9 Ų | 126.9 | 51% | 0.505 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -63.7 | -41.3 | 174.9 | -130.1 | -162.6 | 148 | 0 | 0 | 112.7 | E197 R203 K204 K205 | E197-E201 PolarHBondContact O-N 2.87Å; E201-R203 VanDerWaalsContact C-N 3.29Å; E201-R203 PolarHBondContact O-N 3.16Å; E201-K204 PolarHBondContact O-N 2.94Å; E201-K204 VanDerWaalsContact O-N 3.11Å; E201-K205 VanDerWaalsContact O-CG 3.22Å; E201-K205 WeakPolarHBondContact O-CG 2.85Å; E201-K205 PolarHBondContact O-N 3.11Å; E201-K205 WeakPolarHBondContact OE1-CE 3.09Å; E201-K205 IonicContact OE1-NZ 3.85Å; E201-K205 PolarHBondContact OE1-NZ 2.78Å; E201-K205 IonicContact OE2-NZ 3.24Å; E201-K205 PolarHBondContact OE2-NZ 2.96Å |
| 202 | R | 57.2 | Low | 58.2 | Low | 174 Ų | 174 | 136.5 Ų | 136.5 | 66% | 0.657 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -60 | -37.7 | 175.9 | -75 | -178.2 | 91.2 | -131.3 | 3 | 112.5 | A198 K204 K205 E206 | A198-R202 WeakPolarHBondContact O-CG 3.38Å; A198-R202 PolarHBondContact O-N 3.14Å; R202-K204 VanDerWaalsContact C-N 3.31Å; R202-K204 PolarHBondContact O-N 2.96Å; R202-K205 PolarHBondContact O-N 3.17Å; R202-E206 PolarHBondContact O-N 3.35Å; R202-E206 VanDerWaalsContact O-N 3.16Å |
| 203 | R | 60.7 | Low | 56.2 | Low | 209 Ų | 209 | 134.3 Ų | 134.3 | 79% | 0.789 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -72.9 | -24 | 177.8 | -166 | 175.3 | 172.7 | -139.6 | -2.2 | 112.8 | E200 E201 | E200-R203 PolarHBondContact O-N 3.28Å; E201-R203 VanDerWaalsContact C-N 3.29Å; E201-R203 PolarHBondContact O-N 3.16Å |
| 204 | K | 57.1 | Low | 54.1 | Low | 162 Ų | 162 | 136.5 Ų | 136.5 | 70% | 0.704 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -82.6 | -30.8 | 174.4 | -150.3 | 174.4 | -178.5 | -177.2 | 0 | 112.1 | E200 E201 R202 A207 | E200-K204 PolarHBondContact O-N 3.4Å; E201-K204 PolarHBondContact O-N 2.94Å; E201-K204 VanDerWaalsContact O-N 3.11Å; R202-K204 VanDerWaalsContact C-N 3.31Å; R202-K204 PolarHBondContact O-N 2.96Å; K204-A207 PolarHBondContact O-N 2.91Å |
| 205 | K | 56.5 | Low | 52.3 | Low | 111 Ų | 111 | 135.8 Ų | 135.8 | 48% | 0.483 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -69.6 | -40.8 | 175.1 | -67.9 | 165.5 | -172.3 | -179.2 | 0 | 112 | E201 R202 A207 V208 E209 | E201-K205 VanDerWaalsContact O-CG 3.22Å; E201-K205 WeakPolarHBondContact O-CG 2.85Å; E201-K205 PolarHBondContact O-N 3.11Å; E201-K205 WeakPolarHBondContact OE1-CE 3.09Å; E201-K205 IonicContact OE1-NZ 3.85Å; E201-K205 PolarHBondContact OE1-NZ 2.78Å; E201-K205 IonicContact OE2-NZ 3.24Å; E201-K205 PolarHBondContact OE2-NZ 2.96Å; R202-K205 PolarHBondContact O-N 3.17Å; K205-A207 VanDerWaalsContact C-N 3.26Å; K205-A207 PolarHBondContact O-N 2.91Å; K205-V208 PolarHBondContact O-N 2.77Å; K205-E209 PolarHBondContact O-N 2.88Å |
| 206 | E | 57.6 | Low | 51.1 | Low | 146 Ų | 146 | 134 Ų | 134 | 68% | 0.682 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -20 | 175.8 | -75.7 | 175.8 | 177.3 | 0 | 0 | 114.1 | R202 | R202-E206 PolarHBondContact O-N 3.35Å; R202-E206 VanDerWaalsContact O-N 3.16Å |
| 207 | A | 59 | Low | 50.3 | Low | 75 Ų | 75 | 135.3 Ų | 135.3 | 62% | 0.62 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -14.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | K204 K205 | K204-A207 PolarHBondContact O-N 2.91Å; K205-A207 VanDerWaalsContact C-N 3.26Å; K205-A207 PolarHBondContact O-N 2.91Å |
| 208 | V | 59.1 | Low | 49.3 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | -21.4 | -176.7 | 175.1 | 0 | 0 | 0 | 0 | 112 | K205 I210 | K205-V208 PolarHBondContact O-N 2.77Å; V208-I210 PolarHBondContact O-N 2.69Å; V208-I210 VanDerWaalsContact O-N 3.16Å |
| 209 | E | 51.7 | Low | 48.6 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | trans | -90.7 | 71.4 | 179.2 | -149.5 | 176.6 | -154.8 | 0 | 0 | 111.9 | K205 P211 | K205-E209 PolarHBondContact O-N 2.88Å; E209-P211 WeakPolarHBondContact O-CD 3.39Å | ||
| 210 | I | 51.5 | Low | 47.5 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | -89.3 | 108 | 156.8 | -59.7 | 175.4 | 0 | 0 | 0 | 106.2 | V208 K212 | V208-I210 PolarHBondContact O-N 2.69Å; V208-I210 VanDerWaalsContact O-N 3.16Å; I210-K212 PolarHBondContact O-N 3.31Å | ||
| 211 | P | 49.8 | Very low | 46.7 | Very low | 109 Ų | 109 | 132 Ų | 132 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | trans | -68.2 | 111.7 | 176 | 24.3 | -29.3 | 0 | 0 | 0 | 109.8 | E209 A213 | E209-P211 WeakPolarHBondContact O-CD 3.39Å; P211-A213 PolarHBondContact O-N 3.26Å; P211-A213 VanDerWaalsContact O-N 3.11Å | ||
| 212 | K | 43.3 | Very low | 45.7 | Very low | 212 Ų | 212 | 132 Ų | 132 | 92% | 0.922 | 76% | 0.764 | S | S | * | * | trans | -71.5 | 88.3 | 163.7 | 178.6 | 169.3 | 177 | 161.4 | 0 | 108.3 | I210 | I210-K212 PolarHBondContact O-N 3.31Š| ||
| 213 | A | 39.1 | Very low | 45.1 | Very low | 91 Ų | 91 | 130.4 Ų | 130.4 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | -143.5 | 93.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | P211 | P211-A213 PolarHBondContact O-N 3.26Å; P211-A213 VanDerWaalsContact O-N 3.11Å | ||
| 214 | A | 36.9 | Very low | 43.7 | Very low | 105 Ų | 105 | 123.4 Ų | 123.4 | 87% | 0.868 | 77% | 0.767 | S | S | * | * | trans | -171.9 | 78.6 | 152 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 215 | S | 37.2 | Very low | 43 | Very low | 119 Ų | 119 | 123 Ų | 123 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -140.2 | 77.7 | 157.7 | 63.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 216 | S | 33.8 | Very low | 42.5 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 88% | 0.881 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 179.8 | 149.8 | 137.6 | 53.6 | 0 | 0 | 0 | 0 | 110 | ||
| 217 | S | 36.6 | Very low | 42.3 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -74.6 | 147.1 | -156.7 | 48.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 218 | S | 31.4 | Very low | 42.1 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | -168.6 | 144.4 | 124 | 46 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 219 | S | 36.5 | Very low | 42 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -65.5 | 128.3 | -179.3 | 46.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 220 | S | 32.4 | Very low | 42.4 | Very low | 107 Ų | 107 | 124.4 Ų | 124.4 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -164.3 | 130 | 137.6 | 51.4 | 0 | 0 | 0 | 0 | 110.1 | S222 | S220-S222 PolarHBondContact O-N 3.49Š| ||
| 221 | S | 41.1 | Very low | 42.9 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | trans | -62.2 | 113 | 177.2 | 45.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 222 | S | 32.3 | Very low | 43.8 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | -133.5 | 127.5 | 162.7 | 50.5 | 0 | 0 | 0 | 0 | 109 | S220 G224 | S220-S222 PolarHBondContact O-N 3.49Å; S222-G224 PolarHBondContact O-N 3.36Å | ||
| 223 | V | 42.8 | Very low | 45.1 | Very low | 140 Ų | 140 | 121.1 Ų | 121.1 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | trans | -58.2 | 106.6 | -176.9 | 174.9 | 0 | 0 | 0 | 0 | 108.7 | D225 | V223-D225 PolarHBondContact O-N 2.89Š| ||
| 224 | G | 32.4 | Very low | 46.4 | Very low | 63 Ų | 63 | 124.4 Ų | 124.4 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | trans | -77.1 | 100.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | S222 K226 | S222-G224 PolarHBondContact O-N 3.36Å; G224-K226 VanDerWaalsContact C-N 3.34Å; G224-K226 PolarHBondContact O-N 2.76Å | ||
| 225 | D | 42.6 | Very low | 48.3 | Very low | 152 Ų | 152 | 122.4 Ų | 122.4 | 81% | 0.813 | 73% | 0.725 | S | S | * | * | trans | -56.6 | 96.9 | 161.4 | -81.1 | -63.6 | 0 | 0 | 0 | 109.4 | V223 K227 | V223-D225 PolarHBondContact O-N 2.89Å; D225-K227 PolarHBondContact O-N 2.8Å | ||
| 226 | K | 45.2 | Very low | 49.8 | Very low | 206 Ų | 206 | 121.2 Ų | 121.2 | 90% | 0.896 | 71% | 0.706 | S | S | * | * | trans | -66.4 | 86 | 170.4 | -79.8 | 170.3 | 168 | 158.8 | 0 | 108.5 | G224 S228 | G224-K226 VanDerWaalsContact C-N 3.34Å; G224-K226 PolarHBondContact O-N 2.76Å; K226-S228 PolarHBondContact O-N 3.35Å | ||
| 227 | K | 53.8 | Low | 51.7 | Low | 145 Ų | 145 | 120.1 Ų | 120.1 | 63% | 0.63 | 69% | 0.687 | S | S | * | * | trans | -60.3 | 99.2 | 172.6 | -162.6 | 88.2 | 164.9 | -170.5 | 0 | 108.8 | D225 K229 | D225-K227 PolarHBondContact O-N 2.8Å; K227-K229 PolarHBondContact O-N 2.87Å | ||
| 228 | S | 54.4 | Low | 53.4 | Low | 72 Ų | 72 | 117.3 Ų | 117.3 | 50% | 0.503 | 67% | 0.665 | S | S | . | * | trans | -59.3 | 98.9 | 171.6 | 52.8 | 0 | 0 | 0 | 0 | 109.2 | K226 G230 Q236 | K226-S228 PolarHBondContact O-N 3.35Å; S228-G230 PolarHBondContact O-N 3.43Å; S228-Q236 PolarHBondContact OG-OE1 3.05Å | ||
| 229 | K | 57.7 | Low | 55 | Low | 200 Ų | 200 | 118 Ų | 118 | 87% | 0.87 | 65% | 0.649 | S | S | * | * | trans | -63.9 | 101.8 | 167.2 | -85.1 | 148.5 | 175.9 | 169 | 0 | 107 | K227 | K227-K229 PolarHBondContact O-N 2.87Š| ||
| 230 | G | 58.6 | Low | 56.4 | Low | 26 Ų | 26 | 115.2 Ų | 115.2 | 27% | 0.268 | 63% | 0.633 | S | S | . | * | trans | -59.9 | 163.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | S228 T232 G233 | S228-G230 PolarHBondContact O-N 3.43Å; G230-T232 PolarHBondContact O-N 3.16Å; G230-G233 PolarHBondContact O-N 3.19Å | ||
| 231 | R | 63.3 | Low | 57.9 | Low | 262 Ų | 262 | 116.4 Ų | 116.4 | 99% | 0.989 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | -15.3 | -174.5 | -79.1 | 179.8 | 172.8 | -129.1 | -1.1 | 116.2 | ||
| 232 | T | 68.6 | Low | 58.9 | Low | 67 Ų | 67 | 118.4 Ų | 118.4 | 41% | 0.411 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.7 | -2.5 | -168.8 | 53.8 | 0 | 0 | 0 | 0 | 114.1 | G230 W234 W239 | G230-T232 PolarHBondContact O-N 3.16Å; T232-W234 VanDerWaalsContact O-CD1 3.29Å; T232-W234 PolarHBondContact O-N 3.03Å; T232-W234 VanDerWaalsContact O-N 3.14Å; T232-W239 HydrophobicContact CG2-CH2 3.29Å; T232-W239 HydrophobicContact CG2-CZ2 3.61Å; T232-W239 HydrophobicContact CG2-CZ3 4.45Å; T232-W239 WeakPolarHBondContact OG1-CH2 3.22Å; T232-W239 WeakPolarHBondContact OG1-CZ2 3.1Å |
| 233 | G | 69.3 | Low | 60.3 | Low | 71 Ų | 71 | 120.6 Ų | 120.6 | 73% | 0.732 | 63% | 0.628 | S | S | * | * | S | Bend | trans | 71.4 | -0.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G230 | G230-G233 PolarHBondContact O-N 3.19Š|
| 234 | W | 67.4 | Low | 60.9 | Low | 160 Ų | 160 | 122.7 Ų | 122.7 | 61% | 0.606 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -92.5 | 139.3 | 173.9 | -73.2 | 86.6 | 0 | 0 | 0 | 110.8 | T232 Q236 V238 | T232-W234 VanDerWaalsContact O-CD1 3.29Å; T232-W234 PolarHBondContact O-N 3.03Å; T232-W234 VanDerWaalsContact O-N 3.14Å; W234-Q236 PolarHBondContact O-N 2.76Å; W234-V238 HydrophobicContact CE3-CG1 4.25Å |
| 235 | P | 76.3 | Confident | 61.6 | Low | 62 Ų | 62 | 132.2 Ų | 132.2 | 40% | 0.403 | 65% | 0.654 | S | S | . | * | trans | -61.2 | 127 | 174.5 | -20.7 | 32.1 | 0 | 0 | 0 | 110.7 | H237 V238 | P235-H237 WeakPolarHBondContact CB-CE1 3.25Å; P235-H237 WeakPolarHBondContact CB-ND1 3.28Å; P235-H237 PolarHBondContact O-N 3.28Å; P235-V238 HydrophobicContact CB-CG2 4.09Å; P235-V238 HydrophobicContact CG-CG2 4.27Å; P235-V238 WeakPolarHBondContact O-CB 3.42Å; P235-V238 PolarHBondContact O-N 2.89Å | ||
| 236 | Q | 69.6 | Low | 62.6 | Low | 95 Ų | 95 | 131.3 Ų | 131.3 | 44% | 0.444 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -52.1 | -31.1 | -175.1 | -77.2 | 172.5 | -38.7 | 0 | 0 | 114.5 | S228 W234 V238 W239 A240 | S228-Q236 PolarHBondContact OG-OE1 3.05Å; W234-Q236 PolarHBondContact O-N 2.76Å; Q236-V238 VanDerWaalsContact C-N 3.3Å; Q236-V238 PolarHBondContact O-N 3.11Å; Q236-W239 PolarHBondContact O-N 2.98Å; Q236-A240 PolarHBondContact O-N 2.81Å |
| 237 | H | 72.5 | Confident | 63.5 | Low | 103 Ų | 103 | 127.3 Ų | 127.3 | 48% | 0.477 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -69 | -26.1 | 179 | 69.2 | -87.7 | 0 | 0 | 0 | 113.3 | P235 A240 L241 | P235-H237 WeakPolarHBondContact CB-CE1 3.25Å; P235-H237 WeakPolarHBondContact CB-ND1 3.28Å; P235-H237 PolarHBondContact O-N 3.28Å; H237-A240 PolarHBondContact O-N 2.9Å; H237-L241 WeakPolarHBondContact O-CG 3.37Å |
| 238 | V | 73 | Confident | 64 | Low | 56 Ų | 56 | 126.3 Ų | 126.3 | 34% | 0.339 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -68.9 | -36.4 | 177.5 | 177 | 0 | 0 | 0 | 0 | 110.6 | W234 P235 Q236 | W234-V238 HydrophobicContact CE3-CG1 4.25Å; P235-V238 HydrophobicContact CB-CG2 4.09Å; P235-V238 HydrophobicContact CG-CG2 4.27Å; P235-V238 WeakPolarHBondContact O-CB 3.42Å; P235-V238 PolarHBondContact O-N 2.89Å; Q236-V238 VanDerWaalsContact C-N 3.3Å; Q236-V238 PolarHBondContact O-N 3.11Å |
| 239 | W | 65.4 | Low | 64.6 | Low | 135 Ų | 135 | 129.5 Ų | 129.5 | 51% | 0.511 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -72.5 | -33.2 | 174.5 | -76.9 | -22.3 | 0 | 0 | 0 | 113.9 | T232 Q236 L241 E242 | T232-W239 HydrophobicContact CG2-CH2 3.29Å; T232-W239 HydrophobicContact CG2-CZ2 3.61Å; T232-W239 HydrophobicContact CG2-CZ3 4.45Å; T232-W239 WeakPolarHBondContact OG1-CH2 3.22Å; T232-W239 WeakPolarHBondContact OG1-CZ2 3.1Å; Q236-W239 PolarHBondContact O-N 2.98Å; W239-L241 PolarHBondContact O-N 3.17Å; W239-E242 PolarHBondContact O-N 3.4Å |
| 240 | A | 65.5 | Low | 65 | Low | 63 Ų | 63 | 125.1 Ų | 125.1 | 52% | 0.521 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -67.1 | -24.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q236 H237 | Q236-A240 PolarHBondContact O-N 2.81Å; H237-A240 PolarHBondContact O-N 2.9Å |
| 241 | L | 63.7 | Low | 65.5 | Low | 133 Ų | 133 | 131.7 Ų | 131.7 | 70% | 0.696 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -78.2 | -22.8 | -179 | -69.2 | 168.1 | 0 | 0 | 0 | 113.5 | H237 W239 L243 | H237-L241 WeakPolarHBondContact O-CG 3.37Å; W239-L241 PolarHBondContact O-N 3.17Å; L241-L243 PolarHBondContact O-N 3.46Å |
| 242 | E | 63.4 | Low | 65.6 | Low | 168 Ų | 168 | 122.4 Ų | 122.4 | 79% | 0.785 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -10.6 | 179 | -156.4 | 82.2 | -146.9 | 0 | 0 | 112.9 | W239 | W239-E242 PolarHBondContact O-N 3.4Š|
| 243 | L | 60.4 | Low | 65.4 | Low | 154 Ų | 154 | 126.7 Ų | 126.7 | 81% | 0.806 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 11 | -177.4 | -70.5 | 169.7 | 0 | 0 | 0 | 113.9 | L241 | L241-L243 PolarHBondContact O-N 3.46Š|
| 244 | K | 55.4 | Low | 65 | Low | 183 Ų | 183 | 131.3 Ų | 131.3 | 80% | 0.796 | 64% | 0.635 | S | S | * | * | trans | -121.6 | 66.7 | 174.1 | -83.3 | 169.7 | 70.4 | 80.7 | 0 | 111.3 | ||||
| 245 | Q | 48 | Very low | 64.8 | Low | 264 Ų | 264 | 128.7 Ų | 128.7 | 100% | 1.234 | 64% | 0.637 | S | S | * | * | trans | -121.6 | 0 | 153.2 | -73.9 | -164 | 5.9 | 0 | 0 | 109.2 |
Retrieved 245 of 245 residues in 92.2 ms
(Link to these results)