| 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 | 42.3 | Very low | 222 Ų | 222 | 160.9 Ų | 160.9 | 100% | 1.094 | 84% | 0.837 | S | S | * | * | 0 | 103.9 | 0 | -66.3 | -173.1 | -167.8 | 0 | 0 | 106.2 | |||||
| 2 | E | 41.6 | Very low | 42.2 | Very low | 180 Ų | 180 | 165.8 Ų | 165.8 | 84% | 0.841 | 84% | 0.836 | S | S | * | * | 77.8 | 125.7 | 115.2 | -70.7 | 171.6 | 154 | 0 | 0 | 111.1 | |||||
| 3 | S | 44.6 | Very low | 42.4 | Very low | 109 Ų | 109 | 166 Ų | 166 | 76% | 0.762 | 84% | 0.841 | S | S | * | * | cis | -172.7 | 134.2 | -0.6 | 39.9 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 4 | L | 40.5 | Very low | 42.1 | Very low | 167 Ų | 167 | 162 Ų | 162 | 87% | 0.874 | 85% | 0.846 | S | S | * | * | trans | -63.6 | 135 | 165.8 | -78.7 | 148.9 | 0 | 0 | 0 | 109.6 | ||||
| 5 | R | 47.2 | Very low | 41.9 | Very low | 247 Ų | 247 | 155.7 Ų | 155.7 | 93% | 0.932 | 84% | 0.836 | S | S | * | * | trans | -150.7 | 114.2 | 149.3 | -113.2 | 176.4 | -165.1 | -132.2 | 3.1 | 112 | ||||
| 6 | N | 43.1 | Very low | 42.2 | Very low | 154 Ų | 154 | 157.8 Ų | 157.8 | 82% | 0.824 | 84% | 0.839 | S | S | * | * | trans | -56.1 | 155.2 | 169.7 | -74.1 | -9.8 | 0 | 0 | 0 | 112.6 | ||||
| 7 | G | 41.4 | Very low | 42.2 | Very low | 73 Ų | 73 | 158.6 Ų | 158.6 | 75% | 0.753 | 84% | 0.844 | S | S | * | * | trans | -158.9 | 77.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | N9 | G7-N9 PolarHBondContact O-N 2.73Š| ||
| 8 | N | 39.2 | Very low | 42.4 | Very low | 155 Ų | 155 | 154.9 Ų | 154.9 | 83% | 0.829 | 84% | 0.839 | S | S | * | * | trans | -56.7 | 123.6 | 165.8 | -87.1 | -12.2 | 0 | 0 | 0 | 109.4 | ||||
| 9 | N | 40.8 | Very low | 42.9 | Very low | 136 Ų | 136 | 151.2 Ų | 151.2 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | trans | -144.7 | 126.2 | 147.6 | -81.9 | -44.7 | 0 | 0 | 0 | 105.2 | G7 | G7-N9 PolarHBondContact O-N 2.73Š| ||
| 10 | Y | 43.3 | Very low | 43.8 | Very low | 233 Ų | 233 | 154 Ų | 154 | 91% | 0.914 | 83% | 0.833 | S | S | * | * | 176.4 | 110 | 123 | -79 | -58.7 | 0 | 0 | 0 | 107.3 | |||||
| 11 | S | 39.5 | Very low | 44.7 | Very low | 94 Ų | 94 | 153.9 Ų | 153.9 | 66% | 0.657 | 83% | 0.826 | S | S | * | * | trans | -73.1 | 141.4 | 178.3 | 130.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 12 | R | 40.9 | Very low | 46 | Very low | 219 Ų | 219 | 151.6 Ų | 151.6 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | 62.7 | 119 | 150.5 | -64.9 | 170.7 | -175 | 172 | 1.2 | 116.1 | ||||
| 13 | N | 45.4 | Very low | 47.5 | Very low | 169 Ų | 169 | 149.6 Ų | 149.6 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | -154.8 | 123.9 | 117.6 | -83.7 | -34.1 | 0 | 0 | 0 | 108.9 | |||||
| 14 | A | 37.9 | Very low | 49 | Very low | 110 Ų | 110 | 154.1 Ų | 154.1 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | trans | -81 | 134.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 15 | G | 39.4 | Very low | 50.7 | Low | 67 Ų | 67 | 151 Ų | 151 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | trans | 150.6 | 112.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 16 | E | 45.7 | Very low | 52.3 | Low | 189 Ų | 189 | 144.7 Ų | 144.7 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | 81.1 | 90.7 | 146.5 | -62.3 | 177.8 | 153.8 | 0 | 0 | 119.3 | ||||
| 17 | N | 43.3 | Very low | 54.1 | Low | 173 Ų | 173 | 146.3 Ų | 146.3 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | trans | 18.6 | 99.8 | 130 | -60.3 | -17.4 | 0 | 0 | 0 | 118 | ||||
| 18 | A | 44.6 | Very low | 56 | Low | 91 Ų | 91 | 152.3 Ų | 152.3 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | -163 | 111.1 | 145.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 19 | S | 53.7 | Low | 58.2 | Low | 84 Ų | 84 | 148.3 Ų | 148.3 | 59% | 0.587 | 79% | 0.79 | S | S | * | * | trans | 41.1 | 100.3 | 162.9 | 52 | 0 | 0 | 0 | 0 | 117.6 | H21 | S19-H21 VanDerWaalsContact C-N 3.28Å; S19-H21 PolarHBondContact O-CD2 3.08Å; S19-H21 VanDerWaalsContact O-CD2 3.23Å; S19-H21 PolarHBondContact O-N 3.48Å; S19-H21 PolarHBondContact OG-NE2 2.78Å | ||
| 20 | E | 60.2 | Low | 60.5 | Low | 208 Ų | 208 | 149 Ų | 149 | 97% | 0.972 | 79% | 0.794 | S | S | * | * | trans | -60.2 | 88.8 | 163.7 | -69.8 | 179.9 | 169.6 | 0 | 0 | 109.9 | ||||
| 21 | H | 62.3 | Low | 62.5 | Low | 151 Ų | 151 | 144.3 Ų | 144.3 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | -68.1 | 138.8 | 173.1 | -76.6 | -80.5 | 0 | 0 | 0 | 109.8 | S19 V23 | S19-H21 VanDerWaalsContact C-N 3.28Å; S19-H21 PolarHBondContact O-CD2 3.08Å; S19-H21 VanDerWaalsContact O-CD2 3.23Å; S19-H21 PolarHBondContact O-N 3.48Å; S19-H21 PolarHBondContact OG-NE2 2.78Å; H21-V23 PolarHBondContact O-N 3.33Å | ||
| 22 | F | 71.5 | Confident | 64.7 | Low | 175 Ų | 175 | 147 Ų | 147 | 77% | 0.768 | 80% | 0.796 | S | S | * | * | trans | -57.5 | 109.1 | 178.8 | -168.9 | -100.6 | 0 | 0 | 0 | 110.6 | W24 | F22-W24 HydrophobicContact CD1-CB 3.99Å; F22-W24 HydrophobicContact CD1-CG 4.11Å; F22-W24 HydrophobicContact CE1-CB 4.03Å; F22-W24 AromaticContact CE1-CD1 3.61Å; F22-W24 AromaticContact CE1-CD2 3.98Å; F22-W24 HydrophobicContact CE1-CD2 3.98Å; F22-W24 AromaticContact CE1-CG 3.65Å; F22-W24 HydrophobicContact CE1-CG 3.65Å; F22-W24 AromaticContact CE1-NE1 3.97Å; F22-W24 PolarHBondContact O-N 3.26Å; F22-W24 VanDerWaalsContact O-N 3.1Å | ||
| 23 | V | 72.4 | Confident | 66.9 | Low | 138 Ų | 138 | 142 Ų | 142 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | -78.5 | 96.4 | 179.2 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | H21 | H21-V23 PolarHBondContact O-N 3.33Š| ||
| 24 | W | 76.7 | Confident | 68.9 | Low | 204 Ų | 204 | 141.4 Ų | 141.4 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -105.1 | 127 | 171.5 | -134.4 | 19.1 | 0 | 0 | 0 | 109.9 | F22 V26 | F22-W24 HydrophobicContact CD1-CB 3.99Å; F22-W24 HydrophobicContact CD1-CG 4.11Å; F22-W24 HydrophobicContact CE1-CB 4.03Å; F22-W24 AromaticContact CE1-CD1 3.61Å; F22-W24 AromaticContact CE1-CD2 3.98Å; F22-W24 HydrophobicContact CE1-CD2 3.98Å; F22-W24 AromaticContact CE1-CG 3.65Å; F22-W24 HydrophobicContact CE1-CG 3.65Å; F22-W24 AromaticContact CE1-NE1 3.97Å; F22-W24 PolarHBondContact O-N 3.26Å; F22-W24 VanDerWaalsContact O-N 3.1Å; W24-V26 PolarHBondContact O-N 2.73Å | ||
| 25 | P | 76.8 | Confident | 71.3 | Confident | 100 Ų | 100 | 142.7 Ų | 142.7 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | trans | -66.9 | 110.5 | -180 | 25 | -30.4 | 0 | 0 | 0 | 109.6 | K27 | P25-K27 PolarHBondContact O-N 2.85Š| ||
| 26 | V | 79.7 | Confident | 73.5 | Confident | 115 Ų | 115 | 144.9 Ų | 144.9 | 70% | 0.697 | 79% | 0.787 | S | S | * | * | trans | -67.7 | 113.3 | 173.7 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | W24 F28 | W24-V26 PolarHBondContact O-N 2.73Å; V26-F28 HydrophobicContact CG1-CD2 4.28Å; V26-F28 HydrophobicContact CG1-CE1 4.29Å; V26-F28 HydrophobicContact CG1-CE2 3.67Å; V26-F28 HydrophobicContact CG1-CZ 3.68Å | ||
| 27 | K | 80.8 | Confident | 75.4 | Confident | 188 Ų | 188 | 145.8 Ų | 145.8 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | trans | -114.2 | 122.2 | 169.6 | -73.6 | -175.1 | 178 | 178.6 | 0 | 108.7 | P25 | P25-K27 PolarHBondContact O-N 2.85Š| ||
| 28 | F | 82.6 | Confident | 77.4 | Confident | 199 Ų | 199 | 146.2 Ų | 146.2 | 87% | 0.873 | 79% | 0.785 | S | S | * | * | trans | -85 | 119.3 | 169.3 | -61.8 | -80.6 | 0 | 0 | 0 | 108.5 | V26 | V26-F28 HydrophobicContact CG1-CD2 4.28Å; V26-F28 HydrophobicContact CG1-CE1 4.29Å; V26-F28 HydrophobicContact CG1-CE2 3.67Å; V26-F28 HydrophobicContact CG1-CZ 3.68Å | ||
| 29 | G | 84.8 | Confident | 79.4 | Confident | 71 Ų | 71 | 145 Ų | 145 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | trans | -104.6 | 140.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 30 | N | 88.8 | Confident | 80.9 | Confident | 151 Ų | 151 | 150.6 Ų | 150.6 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | -128.8 | 58.3 | 171 | -171.7 | 20.9 | 0 | 0 | 0 | 109.2 | ||||
| 31 | T | 84.7 | Confident | 82 | Confident | 135 Ų | 135 | 149.5 Ų | 149.5 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 119.1 | 173.2 | 36.9 | 0 | 0 | 0 | 0 | 108.9 | ||
| 32 | L | 87.1 | Confident | 83 | Confident | 149 Ų | 149 | 149.7 Ų | 149.7 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 143.9 | 175 | -70.7 | 165.7 | 0 | 0 | 0 | 110.2 | ||
| 33 | P | 86.4 | Confident | 83.5 | Confident | 115 Ų | 115 | 147.1 Ų | 147.1 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 154.2 | 173.6 | 28.2 | -33 | 0 | 0 | 0 | 110.7 | ||
| 34 | D | 88.4 | Confident | 83.8 | Confident | 157 Ų | 157 | 146.3 Ų | 146.3 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 143.3 | 173.5 | -74.8 | -27 | 0 | 0 | 0 | 110.6 | ||
| 35 | V | 86.7 | Confident | 83.5 | Confident | 137 Ų | 137 | 142.5 Ų | 142.5 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 122.8 | -177.9 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | ||
| 36 | P | 85.7 | Confident | 83 | Confident | 112 Ų | 112 | 146.6 Ų | 146.6 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 151.9 | -179.7 | 26.3 | -33 | 0 | 0 | 0 | 110.5 | E38 | P36-E38 PolarHBondContact O-N 2.74Š|
| 37 | F | 85.5 | Confident | 82.3 | Confident | 209 Ų | 209 | 145.5 Ų | 145.5 | 92% | 0.917 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 136.1 | 178.5 | -72.6 | -81.9 | 0 | 0 | 0 | 111.2 | ||
| 38 | E | 86 | Confident | 81.6 | Confident | 181 Ų | 181 | 143.1 Ų | 143.1 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 135.4 | 177.9 | -164.5 | 166.3 | -158.9 | 0 | 0 | 110.6 | P36 K40 | P36-E38 PolarHBondContact O-N 2.74Å; E38-K40 PolarHBondContact O-N 3.04Å |
| 39 | A | 86.2 | Confident | 80.8 | Confident | 66 Ų | 66 | 140.8 Ų | 140.8 | 55% | 0.545 | 76% | 0.763 | S | S | . | * | P | Polyproline II helix | trans | -62.9 | 123.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | F41 | A39-F41 HydrophobicContact CB-CE2 4.32Å; A39-F41 HydrophobicContact CB-CZ 4.26Å; A39-F41 WeakPolarHBondContact O-CD2 3.37Å; A39-F41 PolarHBondContact O-N 3.4Å; A39-F41 VanDerWaalsContact O-N 3.13Å |
| 40 | K | 84.9 | Confident | 79.6 | Confident | 201 Ų | 201 | 147.5 Ų | 147.5 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | -81 | 95.2 | 174.9 | -67.1 | -176.5 | -178.5 | 177.7 | 0 | 109.2 | E38 L42 | E38-K40 PolarHBondContact O-N 3.04Å; K40-L42 PolarHBondContact O-N 3.49Å | ||
| 41 | F | 85.1 | Confident | 78.2 | Confident | 186 Ų | 186 | 148.8 Ų | 148.8 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | trans | -66.1 | 120.3 | 172.6 | -62.6 | -77.1 | 0 | 0 | 0 | 110.3 | A39 | A39-F41 HydrophobicContact CB-CE2 4.32Å; A39-F41 HydrophobicContact CB-CZ 4.26Å; A39-F41 WeakPolarHBondContact O-CD2 3.37Å; A39-F41 PolarHBondContact O-N 3.4Å; A39-F41 VanDerWaalsContact O-N 3.13Å | ||
| 42 | L | 83 | Confident | 77 | Confident | 155 Ų | 155 | 148.2 Ų | 148.2 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | trans | -77.1 | 124.4 | 173.8 | -70.3 | 168.2 | 0 | 0 | 0 | 109 | K40 I44 | K40-L42 PolarHBondContact O-N 3.49Å; L42-I44 PolarHBondContact O-N 3.12Å | ||
| 43 | P | 81.8 | Confident | 76 | Confident | 120 Ų | 120 | 143.8 Ų | 143.8 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | trans | -66 | 112.3 | 176.2 | 26.1 | -31.7 | 0 | 0 | 0 | 108.9 | P45 | P43-P45 WeakPolarHBondContact O-CD 3.38Š| ||
| 44 | I | 77.6 | Confident | 75.2 | Confident | 122 Ų | 122 | 147.2 Ų | 147.2 | 63% | 0.626 | 75% | 0.747 | S | S | * | * | trans | -68.2 | 121.9 | 170.9 | -56 | 173.8 | 0 | 0 | 0 | 106.5 | L42 R46 | L42-I44 PolarHBondContact O-N 3.12Å; I44-R46 HydrophobicContact CB-CG 4.46Å; I44-R46 HydrophobicContact CG2-CG 3.91Å; I44-R46 PolarHBondContact O-N 3.36Å | ||
| 45 | P | 71.4 | Confident | 74.4 | Confident | 123 Ų | 123 | 147.2 Ų | 147.2 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | trans | -72.4 | 71.9 | 179.3 | 29.4 | -33.2 | 0 | 0 | 0 | 110.3 | P43 N47 | P43-P45 WeakPolarHBondContact O-CD 3.38Å; P45-N47 PolarHBondContact O-N 3.06Å | ||
| 46 | R | 65.1 | Low | 74.1 | Confident | 187 Ų | 187 | 145.4 Ų | 145.4 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | trans | -81.8 | 75.4 | 169.5 | -70.3 | -169.5 | -177.3 | 171.9 | 1.8 | 108.3 | I44 L48 | I44-R46 HydrophobicContact CB-CG 4.46Å; I44-R46 HydrophobicContact CG2-CG 3.91Å; I44-R46 PolarHBondContact O-N 3.36Å; R46-L48 VanDerWaalsContact C-N 3.32Å; R46-L48 HydrophobicContact CB-CD1 4.4Å; R46-L48 PolarHBondContact O-N 3.25Å | ||
| 47 | N | 66.6 | Low | 73.8 | Confident | 91 Ų | 91 | 143.2 Ų | 143.2 | 49% | 0.487 | 71% | 0.709 | S | S | . | * | trans | -73.3 | 94.5 | 166.3 | -157.3 | -26.6 | 0 | 0 | 0 | 107.1 | P45 N49 R50 | P45-N47 PolarHBondContact O-N 3.06Å; N47-N49 PolarHBondContact O-N 3.09Å; N47-N49 VanDerWaalsContact O-N 3.11Å; N47-N49 PolarHBondContact OD1-N 2.83Å; N47-R50 HydrophobicContact CB-CB 3.96Å; N47-R50 WeakPolarHBondContact O-CB 3.3Å; N47-R50 PolarHBondContact O-N 3.13Å | ||
| 48 | L | 65.3 | Low | 73.6 | Confident | 138 Ų | 138 | 139.6 Ų | 139.6 | 72% | 0.723 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -57 | -25.2 | 178 | -90.2 | 84.2 | 0 | 0 | 0 | 111.6 | R46 R50 | R46-L48 VanDerWaalsContact C-N 3.32Å; R46-L48 HydrophobicContact CB-CD1 4.4Å; R46-L48 PolarHBondContact O-N 3.25Å; L48-R50 VanDerWaalsContact C-N 3.3Å; L48-R50 PolarHBondContact O-N 3.31Å |
| 49 | N | 65.1 | Low | 73.3 | Confident | 151 Ų | 151 | 137.5 Ų | 137.5 | 81% | 0.807 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -79.1 | -7 | 175.7 | -65.5 | -27.1 | 0 | 0 | 0 | 114 | N47 | N47-N49 PolarHBondContact O-N 3.09Å; N47-N49 VanDerWaalsContact O-N 3.11Å; N47-N49 PolarHBondContact OD1-N 2.83Å |
| 50 | R | 60.3 | Low | 73.2 | Confident | 211 Ų | 211 | 137 Ų | 137 | 80% | 0.796 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -82.9 | -23.2 | 175.3 | -177.3 | 178.8 | -90.9 | -166.4 | -4.4 | 112 | N47 L48 | N47-R50 HydrophobicContact CB-CB 3.96Å; N47-R50 WeakPolarHBondContact O-CB 3.3Å; N47-R50 PolarHBondContact O-N 3.13Å; L48-R50 VanDerWaalsContact C-N 3.3Å; L48-R50 PolarHBondContact O-N 3.31Å |
| 51 | Y | 60.2 | Low | 73.2 | Confident | 179 Ų | 179 | 136 Ų | 136 | 70% | 0.702 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -80.1 | 131.9 | 166.1 | -59 | -75.1 | 0 | 0 | 0 | 107.8 | G53 | Y51-G53 PolarHBondContact O-N 3.03Š|
| 52 | V | 58.5 | Low | 73.2 | Confident | 123 Ų | 123 | 131.3 Ų | 131.3 | 75% | 0.745 | 66% | 0.66 | S | S | * | * | trans | -44.8 | 114 | -175.8 | 179.8 | 0 | 0 | 0 | 0 | 109.2 | Y54 | V52-Y54 PolarHBondContact O-N 2.94Å; V52-Y54 VanDerWaalsContact O-N 3.15Å | ||
| 53 | G | 65.7 | Low | 73.3 | Confident | 56 Ų | 56 | 130 Ų | 130 | 58% | 0.577 | 65% | 0.648 | S | S | * | * | trans | -49.7 | 126.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | Y51 K55 | Y51-G53 PolarHBondContact O-N 3.03Å; G53-K55 WeakPolarHBondContact O-CG 3.5Å; G53-K55 PolarHBondContact O-N 3.12Å | ||
| 54 | Y | 69.5 | Low | 73.5 | Confident | 187 Ų | 187 | 133.1 Ų | 133.1 | 73% | 0.733 | 65% | 0.649 | S | S | * | * | trans | -45.7 | 114 | -171.2 | -174.7 | -87.2 | 0 | 0 | 0 | 110.2 | V52 E60 | V52-Y54 PolarHBondContact O-N 2.94Å; V52-Y54 VanDerWaalsContact O-N 3.15Å; Y54-E60 PolarHBondContact OH-OE1 2.83Å; Y54-E60 VanDerWaalsContact OH-OE1 3.07Å; Y54-E60 PolarHBondContact OH-OE2 2.64Å | ||
| 55 | K | 71.8 | Confident | 73.8 | Confident | 156 Ų | 156 | 135.7 Ų | 135.7 | 68% | 0.678 | 65% | 0.652 | S | S | * | * | trans | -116 | 129.1 | 175 | -77.7 | -179.6 | -175.7 | -176.6 | 0 | 106.5 | G53 T57 | G53-K55 WeakPolarHBondContact O-CG 3.5Å; G53-K55 PolarHBondContact O-N 3.12Å; K55-T57 VanDerWaalsContact O-CG2 3.3Å; K55-T57 WeakPolarHBondContact O-CG2 3.39Å; K55-T57 PolarHBondContact O-N 3.22Å | ||
| 56 | I | 80 | Confident | 74.3 | Confident | 100 Ų | 100 | 136.6 Ų | 136.6 | 51% | 0.513 | 65% | 0.651 | S | S | . | * | trans | -48.1 | 107.5 | 175.9 | -64.1 | 170.4 | 0 | 0 | 0 | 108.5 | E60 R61 | I56-E60 HydrophobicContact CG2-CB 4Å; I56-R61 HydrophobicContact CG2-CG 3.98Å | ||
| 57 | T | 79.9 | Confident | 74.9 | Confident | 65 Ų | 65 | 134 Ų | 134 | 40% | 0.399 | 66% | 0.655 | S | S | . | * | trans | -78.7 | 164.5 | -173.8 | 57.8 | 0 | 0 | 0 | 0 | 110.2 | K55 L59 E60 R61 | K55-T57 VanDerWaalsContact O-CG2 3.3Å; K55-T57 WeakPolarHBondContact O-CG2 3.39Å; K55-T57 PolarHBondContact O-N 3.22Å; T57-L59 PolarHBondContact O-N 3.04Å; T57-L59 WeakPolarHBondContact OG1-CB 3.46Å; T57-L59 PolarHBondContact OG1-N 3.39Å; T57-E60 PolarHBondContact N-OE1 3.45Å; T57-E60 PolarHBondContact O-N 3.21Å; T57-E60 PolarHBondContact OG1-N 3.41Å; T57-E60 PolarHBondContact OG1-OE1 2.84Å; T57-E60 VanDerWaalsContact OG1-OE1 3.08Å; T57-R61 PolarHBondContact O-N 3.4Å; T57-R61 VanDerWaalsContact O-N 3.16Å | ||
| 58 | N | 81 | Confident | 75.3 | Confident | 134 Ų | 134 | 137.5 Ų | 137.5 | 72% | 0.717 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -59.9 | -25.3 | 169.9 | -75.5 | -13.4 | 0 | 0 | 0 | 111.9 | R61 S62 | N58-R61 PolarHBondContact O-N 3.43Å; N58-S62 VanDerWaalsContact O-CB 3.22Å; N58-S62 WeakPolarHBondContact O-CB 3.39Å; N58-S62 PolarHBondContact O-N 3.02Å; N58-S62 PolarHBondContact O-OG 3.02Å |
| 59 | L | 79.8 | Confident | 75.4 | Confident | 136 Ų | 136 | 135.4 Ų | 135.4 | 71% | 0.712 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -60.6 | -49.5 | 175.3 | -171.8 | 67.6 | 0 | 0 | 0 | 111 | T57 S62 F63 | T57-L59 PolarHBondContact O-N 3.04Å; T57-L59 WeakPolarHBondContact OG1-CB 3.46Å; T57-L59 PolarHBondContact OG1-N 3.39Å; L59-S62 WeakPolarHBondContact CA-OG 3.47Å; L59-S62 PolarHBondContact O-N 2.86Å; L59-S62 PolarHBondContact O-OG 2.99Å; L59-F63 PolarHBondContact O-N 3.13Å; L59-F63 VanDerWaalsContact O-N 3.15Å |
| 60 | E | 85.3 | Confident | 75.8 | Confident | 55 Ų | 55 | 135 Ų | 135 | 26% | 0.257 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -63.1 | -41.5 | 174.6 | -72.3 | 158.6 | -98.7 | 0 | 0 | 112.3 | Y54 I56 T57 S62 F63 | Y54-E60 PolarHBondContact OH-OE1 2.83Å; Y54-E60 VanDerWaalsContact OH-OE1 3.07Å; Y54-E60 PolarHBondContact OH-OE2 2.64Å; I56-E60 HydrophobicContact CG2-CB 4Å; T57-E60 PolarHBondContact N-OE1 3.45Å; T57-E60 PolarHBondContact O-N 3.21Å; T57-E60 PolarHBondContact OG1-N 3.41Å; T57-E60 PolarHBondContact OG1-OE1 2.84Å; T57-E60 VanDerWaalsContact OG1-OE1 3.08Å; E60-S62 VanDerWaalsContact C-N 3.28Å; E60-S62 PolarHBondContact O-N 2.85Å; E60-F63 WeakPolarHBondContact O-CB 3.3Å; E60-F63 PolarHBondContact O-N 3.26Å |
| 61 | R | 83.8 | Confident | 76.3 | Confident | 181 Ų | 181 | 135 Ų | 135 | 68% | 0.683 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -68.1 | -28 | 178.3 | -63.9 | -180 | -163 | -109.9 | 0 | 113.4 | I56 T57 N58 F63 | I56-R61 HydrophobicContact CG2-CG 3.98Å; T57-R61 PolarHBondContact O-N 3.4Å; T57-R61 VanDerWaalsContact O-N 3.16Å; N58-R61 PolarHBondContact O-N 3.43Å; R61-F63 VanDerWaalsContact C-N 3.34Å |
| 62 | S | 84.6 | Confident | 76.5 | Confident | 87 Ų | 87 | 132.5 Ų | 132.5 | 61% | 0.608 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -86.3 | -7.9 | 177.9 | 66.2 | 0 | 0 | 0 | 0 | 113.2 | N58 L59 E60 K64 | N58-S62 VanDerWaalsContact O-CB 3.22Å; N58-S62 WeakPolarHBondContact O-CB 3.39Å; N58-S62 PolarHBondContact O-N 3.02Å; N58-S62 PolarHBondContact O-OG 3.02Å; L59-S62 WeakPolarHBondContact CA-OG 3.47Å; L59-S62 PolarHBondContact O-N 2.86Å; L59-S62 PolarHBondContact O-OG 2.99Å; E60-S62 VanDerWaalsContact C-N 3.28Å; E60-S62 PolarHBondContact O-N 2.85Å; S62-K64 PolarHBondContact O-N 3.42Å |
| 63 | F | 85.6 | Confident | 76.7 | Confident | 129 Ų | 129 | 130.9 Ų | 130.9 | 57% | 0.566 | 66% | 0.659 | S | S | * | * | trans | -69.6 | 119.4 | 178.9 | -172.4 | -97.3 | 0 | 0 | 0 | 109.8 | L59 E60 R61 Y65 | L59-F63 PolarHBondContact O-N 3.13Å; L59-F63 VanDerWaalsContact O-N 3.15Å; E60-F63 WeakPolarHBondContact O-CB 3.3Å; E60-F63 PolarHBondContact O-N 3.26Å; R61-F63 VanDerWaalsContact C-N 3.34Å; F63-Y65 AromaticContact CD1-CD1 3.95Å; F63-Y65 HydrophobicContact CD1-CD1 3.95Å; F63-Y65 HydrophobicContact CD1-CD2 4.43Å; F63-Y65 AromaticContact CD1-CE1 3.9Å; F63-Y65 HydrophobicContact CD1-CE1 3.9Å; F63-Y65 HydrophobicContact CD1-CE2 4.39Å; F63-Y65 HydrophobicContact CD1-CG 4.21Å; F63-Y65 AromaticContact CE1-CD1 3.9Å; F63-Y65 HydrophobicContact CE1-CD1 3.9Å; F63-Y65 HydrophobicContact CE1-CE1 4.11Å; F63-Y65 HydrophobicContact CE1-CG 4.4Å; F63-Y65 PolarHBondContact O-N 3.03Å | ||
| 64 | K | 85.9 | Confident | 76.6 | Confident | 184 Ų | 184 | 134 Ų | 134 | 80% | 0.8 | 67% | 0.669 | S | S | * | * | trans | -85.3 | 106.3 | 177.1 | -171.3 | -179.1 | 179.2 | -173.1 | 0 | 108.1 | S62 D66 | S62-K64 PolarHBondContact O-N 3.42Å; K64-D66 PolarHBondContact O-N 3.3Å | ||
| 65 | Y | 84 | Confident | 76.6 | Confident | 177 Ų | 177 | 130 Ų | 130 | 69% | 0.694 | 66% | 0.664 | S | S | * | * | trans | -66.4 | 131.9 | 173.3 | -64.7 | -83 | 0 | 0 | 0 | 109.9 | F63 V67 | F63-Y65 AromaticContact CD1-CD1 3.95Å; F63-Y65 HydrophobicContact CD1-CD1 3.95Å; F63-Y65 HydrophobicContact CD1-CD2 4.43Å; F63-Y65 AromaticContact CD1-CE1 3.9Å; F63-Y65 HydrophobicContact CD1-CE1 3.9Å; F63-Y65 HydrophobicContact CD1-CE2 4.39Å; F63-Y65 HydrophobicContact CD1-CG 4.21Å; F63-Y65 AromaticContact CE1-CD1 3.9Å; F63-Y65 HydrophobicContact CE1-CD1 3.9Å; F63-Y65 HydrophobicContact CE1-CE1 4.11Å; F63-Y65 HydrophobicContact CE1-CG 4.4Å; F63-Y65 PolarHBondContact O-N 3.03Å; Y65-V67 PolarHBondContact O-N 3Å | ||
| 66 | D | 81.5 | Confident | 76.4 | Confident | 142 Ų | 142 | 130.6 Ų | 130.6 | 76% | 0.759 | 67% | 0.674 | S | S | * | * | trans | -65.2 | 129.8 | 169.2 | -70.8 | -26.3 | 0 | 0 | 0 | 108.9 | K64 I68 | K64-D66 PolarHBondContact O-N 3.3Å; D66-I68 PolarHBondContact O-N 3.23Å | ||
| 67 | V | 78.9 | Confident | 75.8 | Confident | 133 Ų | 133 | 132 Ų | 132 | 81% | 0.806 | 68% | 0.681 | S | S | * | * | trans | -75.4 | 93.6 | 176.1 | -176.4 | 0 | 0 | 0 | 0 | 107.1 | Y65 T69 | Y65-V67 PolarHBondContact O-N 3Å; V67-T69 HydrophobicContact CG1-CG2 4.06Å; V67-T69 PolarHBondContact O-N 3.35Å; V67-T69 VanDerWaalsContact O-N 3.13Å | ||
| 68 | I | 75.5 | Confident | 75.3 | Confident | 164 Ų | 164 | 132.2 Ų | 132.2 | 84% | 0.841 | 68% | 0.68 | S | S | * | * | trans | -73.9 | 101.4 | 173.2 | -55.1 | 172.6 | 0 | 0 | 0 | 107.3 | D66 | D66-I68 PolarHBondContact O-N 3.23Š| ||
| 69 | T | 67.4 | Low | 74.7 | Confident | 93 Ų | 93 | 132.5 Ų | 132.5 | 57% | 0.571 | 68% | 0.681 | S | S | * | * | trans | -89.7 | 159.5 | 165.5 | 56.8 | 0 | 0 | 0 | 0 | 109.9 | V67 | V67-T69 HydrophobicContact CG1-CG2 4.06Å; V67-T69 PolarHBondContact O-N 3.35Å; V67-T69 VanDerWaalsContact O-N 3.13Å | ||
| 70 | D | 73.2 | Confident | 74.2 | Confident | 142 Ų | 142 | 132.4 Ų | 132.4 | 76% | 0.759 | 69% | 0.685 | S | S | * | * | trans | -53.3 | 152.8 | 167 | -69.4 | -37.4 | 0 | 0 | 0 | 110 | D72 | D70-D72 PolarHBondContact O-N 3.47Š| ||
| 71 | K | 69.7 | Low | 73.2 | Confident | 212 Ų | 212 | 133.7 Ų | 133.7 | 92% | 0.922 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -60.5 | -18.1 | -175.5 | -70.5 | -173.6 | 177.7 | -178.1 | 0 | 113.4 | ||
| 72 | D | 64.5 | Low | 72.2 | Confident | 127 Ų | 127 | 130.4 Ų | 130.4 | 68% | 0.679 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -103.4 | 136.4 | 175.1 | -59.4 | -46.3 | 0 | 0 | 0 | 109.2 | D70 | D70-D72 PolarHBondContact O-N 3.47Š|
| 73 | P | 64.2 | Low | 71.1 | Confident | 88 Ų | 88 | 133.5 Ų | 133.5 | 57% | 0.571 | 70% | 0.702 | S | S | * | * | trans | -56.1 | 140.7 | 174.4 | 24.7 | -32.4 | 0 | 0 | 0 | 109 | V75 | P73-V75 PolarHBondContact O-N 3.41Š| ||
| 74 | P | 62.8 | Low | 69.9 | Low | 121 Ų | 121 | 131.3 Ų | 131.3 | 79% | 0.786 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -64.3 | 1.2 | -179.6 | 26 | -34.6 | 0 | 0 | 0 | 113.9 | L76 | P74-L76 PolarHBondContact O-N 3.36Š|
| 75 | V | 69.6 | Low | 68.4 | Low | 104 Ų | 104 | 126.4 Ų | 126.4 | 63% | 0.63 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -87.2 | 101 | 173.9 | -174.7 | 0 | 0 | 0 | 0 | 108.3 | P73 I77 | P73-V75 PolarHBondContact O-N 3.41Å; V75-I77 PolarHBondContact O-N 3.13Å |
| 76 | L | 67.3 | Low | 67.1 | Low | 168 Ų | 168 | 123.8 Ų | 123.8 | 88% | 0.88 | 69% | 0.693 | S | S | * | * | trans | -59.9 | 106.5 | 167.8 | -87.2 | 145 | 0 | 0 | 0 | 109.2 | P74 D78 | P74-L76 PolarHBondContact O-N 3.36Å; L76-D78 VanDerWaalsContact C-N 3.28Å; L76-D78 PolarHBondContact O-N 2.81Å | ||
| 77 | I | 67.2 | Low | 65.6 | Low | 130 Ų | 130 | 124.2 Ų | 124.2 | 67% | 0.667 | 70% | 0.696 | S | S | * | * | trans | -79.5 | 82.1 | 172.2 | -52.2 | 176.1 | 0 | 0 | 0 | 107.6 | V75 L79 | V75-I77 PolarHBondContact O-N 3.13Å; I77-L79 HydrophobicContact CG2-CD2 3.75Å; I77-L79 HydrophobicContact CG2-CG 3.96Å; I77-L79 PolarHBondContact O-N 2.84Å | ||
| 78 | D | 69.6 | Low | 64.2 | Low | 70 Ų | 70 | 122.4 Ų | 122.4 | 37% | 0.374 | 68% | 0.681 | S | S | . | * | trans | -82.1 | 96.6 | 173.5 | -164.9 | -20.3 | 0 | 0 | 0 | 110 | L76 V80 T81 L82 | L76-D78 VanDerWaalsContact C-N 3.28Å; L76-D78 PolarHBondContact O-N 2.81Å; D78-V80 WeakPolarHBondContact OD1-CA 3.47Å; D78-V80 VanDerWaalsContact OD1-CB 3.3Å; D78-V80 WeakPolarHBondContact OD1-CB 3.35Å; D78-V80 PolarHBondContact OD1-N 3.4Å; D78-T81 PolarHBondContact OD1-N 3.3Å; D78-T81 PolarHBondContact OD2-OG1 3.16Å; D78-L82 WeakPolarHBondContact O-CD1 3.28Å | ||
| 79 | L | 69.5 | Low | 62.8 | Low | 140 Ų | 140 | 124.1 Ų | 124.1 | 73% | 0.733 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -80.5 | -5.1 | 174.6 | -59.9 | 178.5 | 0 | 0 | 0 | 112.8 | I77 | I77-L79 HydrophobicContact CG2-CD2 3.75Å; I77-L79 HydrophobicContact CG2-CG 3.96Å; I77-L79 PolarHBondContact O-N 2.84Å |
| 80 | V | 68.8 | Low | 61.9 | Low | 133 Ų | 133 | 127.1 Ų | 127.1 | 81% | 0.806 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -95.2 | -36.2 | -172.7 | -173.8 | 0 | 0 | 0 | 0 | 110.8 | D78 | D78-V80 WeakPolarHBondContact OD1-CA 3.47Å; D78-V80 VanDerWaalsContact OD1-CB 3.3Å; D78-V80 WeakPolarHBondContact OD1-CB 3.35Å; D78-V80 PolarHBondContact OD1-N 3.4Å |
| 81 | T | 63.9 | Low | 60.5 | Low | 83 Ų | 83 | 125.4 Ų | 125.4 | 51% | 0.509 | 69% | 0.686 | S | S | . | * | S | Bend | trans | -103 | 18.1 | 179.7 | 67.9 | 0 | 0 | 0 | 0 | 114 | D78 N83 | D78-T81 PolarHBondContact OD1-N 3.3Å; D78-T81 PolarHBondContact OD2-OG1 3.16Å; T81-N83 PolarHBondContact O-N 3.26Å; T81-N83 PolarHBondContact O-OD1 3.28Å |
| 82 | L | 63.6 | Low | 59.4 | Low | 111 Ų | 111 | 125 Ų | 125 | 58% | 0.581 | 69% | 0.687 | S | S | * | * | trans | -71.1 | 78.6 | -178.4 | -141.8 | 100.6 | 0 | 0 | 0 | 110.4 | D78 S84 | D78-L82 WeakPolarHBondContact O-CD1 3.28Å; L82-S84 VanDerWaalsContact C-N 3.27Å | ||
| 83 | N | 60 | Low | 59.1 | Low | 152 Ų | 152 | 126.5 Ų | 126.5 | 81% | 0.813 | 69% | 0.69 | S | S | * | * | trans | -85.5 | -4 | -179.8 | -59.4 | -18.4 | 0 | 0 | 0 | 112.1 | T81 | T81-N83 PolarHBondContact O-N 3.26Å; T81-N83 PolarHBondContact O-OD1 3.28Å | ||
| 84 | S | 60.1 | Low | 59.2 | Low | 83 Ų | 83 | 125.9 Ų | 125.9 | 58% | 0.58 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -91.5 | 111.2 | 175.6 | 40.2 | 0 | 0 | 0 | 0 | 109.7 | L82 | L82-S84 VanDerWaalsContact C-N 3.27Š|
| 85 | T | 55.4 | Low | 59.7 | Low | 82 Ų | 82 | 125.2 Ų | 125.2 | 50% | 0.503 | 69% | 0.689 | S | S | . | * | trans | -59.7 | 132.7 | 173.2 | 41.7 | 0 | 0 | 0 | 0 | 109.9 | N87 D88 | T85-N87 PolarHBondContact O-N 3.42Å; T85-D88 PolarHBondContact OG1-OD1 3.15Å | ||
| 86 | P | 55.8 | Low | 60.3 | Low | 122 Ų | 122 | 122.8 Ų | 122.8 | 79% | 0.792 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 18.8 | -174.5 | 28.1 | -33.4 | 0 | 0 | 0 | 114.1 | ||
| 87 | N | 49.8 | Very low | 61 | Low | 150 Ų | 150 | 121.5 Ų | 121.5 | 80% | 0.802 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -166.1 | 28.9 | -175.6 | -101.6 | -24.1 | 0 | 0 | 0 | 114.6 | T85 Q89 | T85-N87 PolarHBondContact O-N 3.42Å; N87-Q89 PolarHBondContact O-N 3.5Å; N87-Q89 VanDerWaalsContact O-N 3.08Å |
| 88 | D | 49.4 | Very low | 61.7 | Low | 95 Ų | 95 | 120.7 Ų | 120.7 | 51% | 0.508 | 67% | 0.666 | S | S | . | * | trans | -67.3 | 113.4 | 173 | -107.3 | 33.8 | 0 | 0 | 0 | 109.8 | T85 K90 | T85-D88 PolarHBondContact OG1-OD1 3.15Å; D88-K90 PolarHBondContact O-N 3.36Å; D88-K90 IonicContact OD2-NZ 3.48Å; D88-K90 PolarHBondContact OD2-NZ 2.9Å | ||
| 89 | Q | 46.7 | Very low | 62.4 | Low | 200 Ų | 200 | 121.3 Ų | 121.3 | 94% | 0.935 | 67% | 0.669 | S | S | * | * | trans | -57.5 | 71.4 | 179.1 | -62.7 | 174 | -21.1 | 0 | 0 | 112.5 | N87 | N87-Q89 PolarHBondContact O-N 3.5Å; N87-Q89 VanDerWaalsContact O-N 3.08Å | ||
| 90 | K | 49 | Very low | 62.9 | Low | 156 Ų | 156 | 117.7 Ų | 117.7 | 68% | 0.678 | 65% | 0.653 | S | S | * | * | trans | -127.7 | 101.9 | -178.9 | -78.7 | 174.9 | -178.2 | 151.8 | 0 | 110.7 | D88 | D88-K90 PolarHBondContact O-N 3.36Å; D88-K90 IonicContact OD2-NZ 3.48Å; D88-K90 PolarHBondContact OD2-NZ 2.9Å | ||
| 91 | T | 43.1 | Very low | 63.5 | Low | 107 Ų | 107 | 117.8 Ų | 117.8 | 66% | 0.656 | 65% | 0.645 | S | S | * | * | trans | 73.2 | 116.7 | 146.3 | -27.1 | 0 | 0 | 0 | 0 | 115.6 | E93 | T91-E93 HydrophobicContact CG2-CG 3.95Å; T91-E93 PolarHBondContact O-N 3.34Å | ||
| 92 | E | 47.5 | Very low | 64.3 | Low | 202 Ų | 202 | 120.3 Ų | 120.3 | 94% | 0.944 | 65% | 0.654 | S | S | * | * | trans | -60.6 | 68.2 | 157.5 | -62.8 | -177.3 | 167.9 | 0 | 0 | 109.5 | G94 | E92-G94 PolarHBondContact O-N 2.88Š| ||
| 93 | E | 57.9 | Low | 65.1 | Low | 159 Ų | 159 | 121.1 Ų | 121.1 | 74% | 0.743 | 66% | 0.659 | S | S | * | * | trans | -75.9 | 109 | 162.5 | -74.2 | -178.2 | -176.1 | 0 | 0 | 105.6 | T91 I95 | T91-E93 HydrophobicContact CG2-CG 3.95Å; T91-E93 PolarHBondContact O-N 3.34Å; E93-I95 PolarHBondContact O-N 3.15Å; E93-I95 VanDerWaalsContact O-N 3.12Å | ||
| 94 | G | 66.4 | Low | 66 | Low | 76 Ų | 76 | 120.3 Ų | 120.3 | 78% | 0.784 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 122.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110 | E92 S96 | E92-G94 PolarHBondContact O-N 2.88Å; G94-S96 PolarHBondContact O-N 3.24Å |
| 95 | I | 73.8 | Confident | 66.8 | Low | 107 Ų | 107 | 123.2 Ų | 123.2 | 55% | 0.549 | 66% | 0.659 | S | S | . | * | P | Polyproline II helix | trans | -53.7 | 128 | 175.2 | -59.1 | 167.8 | 0 | 0 | 0 | 107 | E93 D97 D99 V100 | E93-I95 PolarHBondContact O-N 3.15Å; E93-I95 VanDerWaalsContact O-N 3.12Å; I95-D97 PolarHBondContact O-N 2.98Å; I95-D99 HydrophobicContact CG2-CB 3.72Å; I95-V100 HydrophobicContact CB-CG2 3.93Å; I95-V100 HydrophobicContact CG2-CG2 3.54Å |
| 96 | S | 81.1 | Confident | 67.3 | Low | 52 Ų | 52 | 127.3 Ų | 127.3 | 36% | 0.364 | 68% | 0.678 | S | S | . | * | P | Polyproline II helix | trans | -54.7 | 139.6 | 175.7 | 170.4 | 0 | 0 | 0 | 0 | 109.8 | G94 I98 D99 V100 | G94-S96 PolarHBondContact O-N 3.24Å; S96-I98 PolarHBondContact O-N 3.36Å; S96-I98 PolarHBondContact OG-N 3.25Å; S96-D99 WeakPolarHBondContact CB-OD2 2.93Å; S96-D99 WeakPolarHBondContact O-CA 3.4Å; S96-D99 PolarHBondContact O-N 2.88Å; S96-V100 PolarHBondContact O-N 2.96Å |
| 97 | D | 83.2 | Confident | 67.2 | Low | 142 Ų | 142 | 126.6 Ų | 126.6 | 76% | 0.759 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -52.3 | -31.3 | 176.2 | -66.8 | -22.5 | 0 | 0 | 0 | 112.2 | I95 Q101 | I95-D97 PolarHBondContact O-N 2.98Å; D97-Q101 WeakPolarHBondContact O-CB 3.4Å; D97-Q101 PolarHBondContact O-N 2.97Å; D97-Q101 VanDerWaalsContact O-N 3.09Å |
| 98 | I | 81.8 | Confident | 67.3 | Low | 112 Ų | 112 | 122.2 Ų | 122.2 | 57% | 0.574 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -67.8 | -41.3 | 176.4 | -57.6 | 172.2 | 0 | 0 | 0 | 110.8 | S96 Q101 L102 | S96-I98 PolarHBondContact O-N 3.36Å; S96-I98 PolarHBondContact OG-N 3.25Å; I98-Q101 WeakPolarHBondContact O-CB 3.5Å; I98-Q101 PolarHBondContact O-N 3.44Å; I98-L102 WeakPolarHBondContact O-CG 3.11Å; I98-L102 PolarHBondContact O-N 3.05Å; I98-L102 VanDerWaalsContact O-N 3.13Å |
| 99 | D | 82.9 | Confident | 67.3 | Low | 83 Ų | 83 | 121.5 Ų | 121.5 | 44% | 0.444 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -75.3 | -34.1 | -179 | -60.2 | -29.9 | 0 | 0 | 0 | 110.9 | I95 S96 Q101 L102 L103 | I95-D99 HydrophobicContact CG2-CB 3.72Å; S96-D99 WeakPolarHBondContact CB-OD2 2.93Å; S96-D99 WeakPolarHBondContact O-CA 3.4Å; S96-D99 PolarHBondContact O-N 2.88Å; D99-Q101 VanDerWaalsContact C-N 3.28Å; D99-Q101 PolarHBondContact O-N 3.49Å; D99-L102 PolarHBondContact O-N 3.21Å; D99-L103 VanDerWaalsContact O-CG 3.3Å; D99-L103 WeakPolarHBondContact O-CG 3.18Å; D99-L103 PolarHBondContact O-N 3.32Å; D99-L103 VanDerWaalsContact O-N 3.12Å |
| 100 | V | 81.5 | Confident | 67.5 | Low | 64 Ų | 64 | 117.9 Ų | 117.9 | 39% | 0.388 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -58.3 | -43.8 | 168.9 | 178 | 0 | 0 | 0 | 0 | 110.3 | I95 S96 L102 L103 E104 | I95-V100 HydrophobicContact CB-CG2 3.93Å; I95-V100 HydrophobicContact CG2-CG2 3.54Å; S96-V100 PolarHBondContact O-N 2.96Å; V100-L102 VanDerWaalsContact C-N 3.31Å; V100-L102 PolarHBondContact O-N 2.86Å; V100-L103 PolarHBondContact O-N 2.87Å; V100-E104 PolarHBondContact O-N 2.99Å |
| 101 | Q | 80.1 | Confident | 67.7 | Low | 135 Ų | 135 | 121.1 Ų | 121.1 | 63% | 0.631 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -65.6 | -31.2 | 178.3 | -171 | 176.6 | 6.7 | 0 | 0 | 113 | D97 I98 D99 | D97-Q101 WeakPolarHBondContact O-CB 3.4Å; D97-Q101 PolarHBondContact O-N 2.97Å; D97-Q101 VanDerWaalsContact O-N 3.09Å; I98-Q101 WeakPolarHBondContact O-CB 3.5Å; I98-Q101 PolarHBondContact O-N 3.44Å; D99-Q101 VanDerWaalsContact C-N 3.28Å; D99-Q101 PolarHBondContact O-N 3.49Å |
| 102 | L | 81.7 | Confident | 68.3 | Low | 136 Ų | 136 | 121.2 Ų | 121.2 | 71% | 0.712 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -77.8 | -19.6 | 176.3 | -68.2 | 172.2 | 0 | 0 | 0 | 113.5 | I98 D99 V100 | I98-L102 WeakPolarHBondContact O-CG 3.11Å; I98-L102 PolarHBondContact O-N 3.05Å; I98-L102 VanDerWaalsContact O-N 3.13Å; D99-L102 PolarHBondContact O-N 3.21Å; V100-L102 VanDerWaalsContact C-N 3.31Å; V100-L102 PolarHBondContact O-N 2.86Å |
| 103 | L | 80.5 | Confident | 68.7 | Low | 128 Ų | 128 | 118 Ų | 118 | 67% | 0.67 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -86.2 | -10.7 | 175.7 | -70.5 | 168 | 0 | 0 | 0 | 112.9 | D99 V100 D105 | D99-L103 VanDerWaalsContact O-CG 3.3Å; D99-L103 WeakPolarHBondContact O-CG 3.18Å; D99-L103 PolarHBondContact O-N 3.32Å; D99-L103 VanDerWaalsContact O-N 3.12Å; V100-L103 PolarHBondContact O-N 2.87Å; L103-D105 PolarHBondContact O-N 3.48Å |
| 104 | E | 78.7 | Confident | 68.8 | Low | 135 Ų | 135 | 117.5 Ų | 117.5 | 63% | 0.631 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -66.4 | 118 | 172.3 | -65.4 | -177.2 | 177.2 | 0 | 0 | 108.9 | V100 D106 | V100-E104 PolarHBondContact O-N 2.99Å; E104-D106 PolarHBondContact O-N 3.08Å |
| 105 | D | 76.6 | Confident | 68.5 | Low | 144 Ų | 144 | 122.9 Ų | 122.9 | 77% | 0.77 | 62% | 0.623 | S | S | * | * | trans | -53.9 | 137.8 | 165.9 | -76.8 | -30 | 0 | 0 | 0 | 108.5 | L103 C107 | L103-D105 PolarHBondContact O-N 3.48Å; D105-C107 PolarHBondContact O-N 3.23Å | ||
| 106 | D | 66.1 | Low | 67.9 | Low | 168 Ų | 168 | 123.9 Ų | 123.9 | 90% | 0.898 | 62% | 0.623 | S | S | * | * | trans | -62.4 | 72.8 | 171.7 | -91.4 | -28.2 | 0 | 0 | 0 | 110.4 | E104 G108 | E104-D106 PolarHBondContact O-N 3.08Å; D106-G108 PolarHBondContact O-N 2.78Å | ||
| 107 | C | 52.7 | Low | 67.3 | Low | 108 Ų | 108 | 125.7 Ų | 125.7 | 73% | 0.73 | 63% | 0.628 | S | S | * | * | trans | -74.2 | 43.5 | 162.2 | -68.6 | 0 | 0 | 0 | 0 | 109.3 | D105 T109 | D105-C107 PolarHBondContact O-N 3.23Å; C107-T109 PolarHBondContact O-N 2.97Å | ||
| 108 | G | 52.3 | Low | 66.6 | Low | 57 Ų | 57 | 125.1 Ų | 125.1 | 59% | 0.588 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 62.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D106 | D106-G108 PolarHBondContact O-N 2.78Š|
| 109 | T | 50.9 | Low | 66.1 | Low | 81 Ų | 81 | 126.9 Ų | 126.9 | 50% | 0.497 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -149.6 | -12.9 | 163.1 | 56.7 | 0 | 0 | 0 | 0 | 114.8 | C107 R113 | C107-T109 PolarHBondContact O-N 2.97Å; T109-R113 WeakPolarHBondContact O-CB 3.22Å; T109-R113 PolarHBondContact O-N 3.1Å; T109-R113 VanDerWaalsContact O-N 3.13Å |
| 110 | H | 49.8 | Very low | 65.4 | Low | 123 Ų | 123 | 126.4 Ų | 126.4 | 57% | 0.569 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -24.5 | -168.3 | -129.8 | -73.3 | 0 | 0 | 0 | 115.9 | ||
| 111 | R | 53.9 | Low | 65 | Low | 225 Ų | 225 | 129.4 Ų | 129.4 | 85% | 0.849 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -40.3 | 176.2 | -72.4 | -175.4 | -178.5 | 178 | 3.1 | 112.5 | K114 R115 | R111-K114 PolarHBondContact O-N 3.13Å; R111-R115 PolarHBondContact O-N 3.47Å |
| 112 | D | 54.1 | Low | 64.6 | Low | 109 Ų | 109 | 126.9 Ų | 126.9 | 58% | 0.583 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -72.6 | -31 | 177.2 | -65.6 | -47.9 | 0 | 0 | 0 | 112.7 | K114 R115 F116 | D112-K114 VanDerWaalsContact C-N 3.3Å; D112-K114 PolarHBondContact O-N 2.89Å; D112-R115 PolarHBondContact O-N 3.36Å; D112-F116 VanDerWaalsContact O-CB 3.28Å; D112-F116 WeakPolarHBondContact O-CB 3.48Å; D112-F116 PolarHBondContact O-N 3.07Å |
| 113 | R | 56.2 | Low | 64.1 | Low | 134 Ų | 134 | 124.9 Ų | 124.9 | 51% | 0.506 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.3 | -34.2 | 174.2 | -171.2 | 148.5 | 68.7 | 172.4 | 4.1 | 112.6 | T109 N117 | T109-R113 WeakPolarHBondContact O-CB 3.22Å; T109-R113 PolarHBondContact O-N 3.1Å; T109-R113 VanDerWaalsContact O-N 3.13Å; R113-N117 WeakPolarHBondContact O-CB 3.3Å; R113-N117 PolarHBondContact O-N 3.23Å; R113-N117 PolarHBondContact O-ND2 2.88Å |
| 114 | K | 60.2 | Low | 63.5 | Low | 149 Ų | 149 | 122.4 Ų | 122.4 | 65% | 0.648 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.7 | -43.9 | 173.9 | -71.8 | -174.5 | 178.6 | -178.7 | 0 | 112.1 | R111 D112 Q118 | R111-K114 PolarHBondContact O-N 3.13Å; D112-K114 VanDerWaalsContact C-N 3.3Å; D112-K114 PolarHBondContact O-N 2.89Å; K114-Q118 WeakPolarHBondContact O-CB 3.45Å; K114-Q118 PolarHBondContact O-N 3.45Å |
| 115 | R | 60.1 | Low | 62.8 | Low | 189 Ų | 189 | 118.5 Ų | 118.5 | 71% | 0.713 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.8 | -38.5 | 177.1 | -75.1 | -176.7 | 173.7 | -176.6 | -0.9 | 112.5 | R111 D112 Q118 K119 | R111-R115 PolarHBondContact O-N 3.47Å; D112-R115 PolarHBondContact O-N 3.36Å; R115-Q118 PolarHBondContact O-N 2.84Å; R115-K119 PolarHBondContact O-N 2.8Å |
| 116 | F | 61.4 | Low | 62.3 | Low | 128 Ų | 128 | 117.6 Ų | 117.6 | 56% | 0.561 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.7 | -45.5 | 175 | -178.3 | -102.1 | 0 | 0 | 0 | 111.5 | D112 Q118 K119 L120 | D112-F116 VanDerWaalsContact O-CB 3.28Å; D112-F116 WeakPolarHBondContact O-CB 3.48Å; D112-F116 PolarHBondContact O-N 3.07Å; F116-Q118 VanDerWaalsContact C-N 3.27Å; F116-Q118 PolarHBondContact O-N 3.01Å; F116-K119 PolarHBondContact O-N 3.09Å; F116-L120 HydrophobicContact CD1-CD1 3.86Å; F116-L120 HydrophobicContact CD1-CG 4.23Å; F116-L120 HydrophobicContact CE1-CD1 3.26Å; F116-L120 HydrophobicContact CE1-CG 3.85Å; F116-L120 HydrophobicContact CE2-CG 4.43Å; F116-L120 HydrophobicContact CZ-CD1 3.71Å; F116-L120 HydrophobicContact CZ-CD2 4.2Å; F116-L120 HydrophobicContact CZ-CG 3.95Å; F116-L120 PolarHBondContact O-N 3.27Å |
| 117 | N | 67.7 | Low | 62.2 | Low | 89 Ų | 89 | 113.9 Ų | 113.9 | 48% | 0.476 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.5 | -36.3 | 174.7 | -76.5 | -29.1 | 0 | 0 | 0 | 112.1 | R113 H121 | R113-N117 WeakPolarHBondContact O-CB 3.3Å; R113-N117 PolarHBondContact O-N 3.23Å; R113-N117 PolarHBondContact O-ND2 2.88Å; N117-H121 VanDerWaalsContact O-CB 3.29Å; N117-H121 WeakPolarHBondContact O-CB 3.21Å; N117-H121 PolarHBondContact O-N 3.37Å |
| 118 | Q | 69.4 | Low | 62.8 | Low | 130 Ų | 130 | 112.4 Ų | 112.4 | 61% | 0.607 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.1 | -44.7 | 175.5 | -165.2 | 160.5 | 20 | 0 | 0 | 111.8 | K114 R115 F116 L120 H121 D122 | K114-Q118 WeakPolarHBondContact O-CB 3.45Å; K114-Q118 PolarHBondContact O-N 3.45Å; R115-Q118 PolarHBondContact O-N 2.84Å; F116-Q118 VanDerWaalsContact C-N 3.27Å; F116-Q118 PolarHBondContact O-N 3.01Å; Q118-L120 PolarHBondContact O-N 3.15Å; Q118-H121 WeakPolarHBondContact O-CB 3.47Å; Q118-H121 PolarHBondContact O-N 3.14Å; Q118-D122 VanDerWaalsContact O-CG 3.23Å; Q118-D122 PolarHBondContact O-N 3.37Å |
| 119 | K | 72.3 | Confident | 63.4 | Low | 150 Ų | 150 | 113 Ų | 113 | 65% | 0.652 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.9 | -41.2 | 172.6 | -87 | -174.5 | 174.1 | -177.3 | 0 | 113 | R115 F116 D122 I123 | R115-K119 PolarHBondContact O-N 2.8Å; F116-K119 PolarHBondContact O-N 3.09Å; K119-D122 PolarHBondContact O-N 3.48Å; K119-I123 VanDerWaalsContact O-CG1 3.26Å; K119-I123 WeakPolarHBondContact O-CG1 3.46Å; K119-I123 PolarHBondContact O-N 3.21Å |
| 120 | L | 68.3 | Low | 64.6 | Low | 72 Ų | 72 | 113.9 Ų | 113.9 | 38% | 0.377 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 175.1 | -78 | -173.7 | 0 | 0 | 0 | 111.3 | F116 Q118 D122 I123 V124 | F116-L120 HydrophobicContact CD1-CD1 3.86Å; F116-L120 HydrophobicContact CD1-CG 4.23Å; F116-L120 HydrophobicContact CE1-CD1 3.26Å; F116-L120 HydrophobicContact CE1-CG 3.85Å; F116-L120 HydrophobicContact CE2-CG 4.43Å; F116-L120 HydrophobicContact CZ-CD1 3.71Å; F116-L120 HydrophobicContact CZ-CD2 4.2Å; F116-L120 HydrophobicContact CZ-CG 3.95Å; F116-L120 PolarHBondContact O-N 3.27Å; Q118-L120 PolarHBondContact O-N 3.15Å; L120-D122 VanDerWaalsContact C-N 3.32Å; L120-D122 PolarHBondContact O-N 3.04Å; L120-I123 PolarHBondContact O-N 2.71Å; L120-V124 VanDerWaalsContact O-CB 3.27Å; L120-V124 WeakPolarHBondContact O-CB 3.26Å; L120-V124 WeakPolarHBondContact O-CG2 3.38Å; L120-V124 PolarHBondContact O-N 3.46Å |
| 121 | H | 72.3 | Confident | 66 | Low | 128 Ų | 128 | 114.6 Ų | 114.6 | 59% | 0.593 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.3 | -42.9 | 174.6 | -178.2 | -79.7 | 0 | 0 | 0 | 111.4 | N117 Q118 V124 S125 | N117-H121 VanDerWaalsContact O-CB 3.29Å; N117-H121 WeakPolarHBondContact O-CB 3.21Å; N117-H121 PolarHBondContact O-N 3.37Å; Q118-H121 WeakPolarHBondContact O-CB 3.47Å; Q118-H121 PolarHBondContact O-N 3.14Å; H121-V124 PolarHBondContact O-N 3.27Å; H121-S125 WeakPolarHBondContact O-CB 3.43Å; H121-S125 PolarHBondContact O-N 3.44Å; H121-S125 PolarHBondContact O-OG 3.24Å |
| 122 | D | 72.3 | Confident | 67.5 | Low | 82 Ų | 82 | 106.5 Ų | 106.5 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.9 | -48.7 | 177.1 | -65.8 | -17.2 | 0 | 0 | 0 | 111.1 | Q118 K119 L120 V124 S125 E126 | Q118-D122 VanDerWaalsContact O-CG 3.23Å; Q118-D122 PolarHBondContact O-N 3.37Å; K119-D122 PolarHBondContact O-N 3.48Å; L120-D122 VanDerWaalsContact C-N 3.32Å; L120-D122 PolarHBondContact O-N 3.04Å; D122-V124 PolarHBondContact O-N 2.85Å; D122-S125 WeakPolarHBondContact CA-OG 3.49Å; D122-S125 PolarHBondContact O-N 3.4Å; D122-S125 PolarHBondContact O-OG 3.49Å; D122-E126 PolarHBondContact O-N 2.82Å |
| 123 | I | 70.8 | Confident | 69.1 | Low | 93 Ų | 93 | 109.1 Ų | 109.1 | 48% | 0.477 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 177.5 | -66.6 | 164.6 | 0 | 0 | 0 | 111.3 | K119 L120 S125 E126 V127 | K119-I123 VanDerWaalsContact O-CG1 3.26Å; K119-I123 WeakPolarHBondContact O-CG1 3.46Å; K119-I123 PolarHBondContact O-N 3.21Å; L120-I123 PolarHBondContact O-N 2.71Å; I123-S125 VanDerWaalsContact C-N 3.3Å; I123-S125 PolarHBondContact O-N 3.2Å; I123-E126 PolarHBondContact O-N 2.88Å; I123-V127 WeakPolarHBondContact O-CG2 3.29Å; I123-V127 PolarHBondContact O-N 3.12Å |
| 124 | V | 66.9 | Low | 70.6 | Confident | 76 Ų | 76 | 110.5 Ų | 110.5 | 46% | 0.461 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.8 | -37.7 | 178.5 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | L120 H121 D122 V127 N128 | L120-V124 VanDerWaalsContact O-CB 3.27Å; L120-V124 WeakPolarHBondContact O-CB 3.26Å; L120-V124 WeakPolarHBondContact O-CG2 3.38Å; L120-V124 PolarHBondContact O-N 3.46Å; H121-V124 PolarHBondContact O-N 3.27Å; D122-V124 PolarHBondContact O-N 2.85Å; V124-V127 PolarHBondContact O-N 2.93Å; V124-N128 WeakPolarHBondContact O-CB 3.4Å; V124-N128 PolarHBondContact O-N 2.99Å; V124-N128 PolarHBondContact O-ND2 3.5Å; V124-N128 PolarHBondContact O-OD1 2.82Å |
| 125 | S | 65 | Low | 71.9 | Confident | 53 Ų | 53 | 105.1 Ų | 105.1 | 37% | 0.371 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.6 | -36.9 | 175.9 | 74.6 | 0 | 0 | 0 | 0 | 112.6 | H121 D122 I123 N128 Q129 | H121-S125 WeakPolarHBondContact O-CB 3.43Å; H121-S125 PolarHBondContact O-N 3.44Å; H121-S125 PolarHBondContact O-OG 3.24Å; D122-S125 WeakPolarHBondContact CA-OG 3.49Å; D122-S125 PolarHBondContact O-N 3.4Å; D122-S125 PolarHBondContact O-OG 3.49Å; I123-S125 VanDerWaalsContact C-N 3.3Å; I123-S125 PolarHBondContact O-N 3.2Å; S125-N128 PolarHBondContact O-N 2.95Å; S125-Q129 PolarHBondContact O-N 3.4Å; S125-Q129 VanDerWaalsContact O-N 3.12Å |
| 126 | E | 65.1 | Low | 73.2 | Confident | 126 Ų | 126 | 100.3 Ų | 100.3 | 59% | 0.589 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.8 | -41.9 | 173.3 | -76.8 | -174.2 | 171.6 | 0 | 0 | 111.7 | D122 I123 Q129 Y130 | D122-E126 PolarHBondContact O-N 2.82Å; I123-E126 PolarHBondContact O-N 2.88Å; E126-Q129 WeakPolarHBondContact O-CB 3Å; E126-Q129 PolarHBondContact O-N 3.01Å; E126-Y130 WeakPolarHBondContact O-CD2 3.46Å; E126-Y130 WeakPolarHBondContact O-CE2 3.18Å |
| 127 | V | 64 | Low | 74.5 | Confident | 90 Ų | 90 | 99 Ų | 99 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.2 | -39.9 | 176.9 | 176.9 | 0 | 0 | 0 | 0 | 111 | I123 V124 Q129 Y130 | I123-V127 WeakPolarHBondContact O-CG2 3.29Å; I123-V127 PolarHBondContact O-N 3.12Å; V124-V127 PolarHBondContact O-N 2.93Å; V127-Q129 VanDerWaalsContact C-N 3.25Å; V127-Q129 PolarHBondContact O-N 3.05Å; V127-Y130 PolarHBondContact O-N 2.84Å |
| 128 | N | 65.1 | Low | 75.5 | Confident | 77 Ų | 77 | 97.4 Ų | 97.4 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.8 | -30.1 | 177.1 | -72 | -13 | 0 | 0 | 0 | 112.6 | V124 S125 Y130 Q131 | V124-N128 WeakPolarHBondContact O-CB 3.4Å; V124-N128 PolarHBondContact O-N 2.99Å; V124-N128 PolarHBondContact O-ND2 3.5Å; V124-N128 PolarHBondContact O-OD1 2.82Å; S125-N128 PolarHBondContact O-N 2.95Å; N128-Y130 PolarHBondContact O-N 3.48Å; N128-Y130 VanDerWaalsContact O-N 3.12Å; N128-Q131 PolarHBondContact O-N 3.36Å; N128-Q131 PolarHBondContact OD1-NE2 2.69Å |
| 129 | Q | 66.5 | Low | 76.4 | Confident | 70 Ų | 70 | 91.5 Ų | 91.5 | 33% | 0.327 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -16.7 | 179.3 | -162.8 | -177.3 | -4.7 | 0 | 0 | 113.3 | S125 E126 V127 S135 | S125-Q129 PolarHBondContact O-N 3.4Å; S125-Q129 VanDerWaalsContact O-N 3.12Å; E126-Q129 WeakPolarHBondContact O-CB 3Å; E126-Q129 PolarHBondContact O-N 3.01Å; V127-Q129 VanDerWaalsContact C-N 3.25Å; V127-Q129 PolarHBondContact O-N 3.05Å; Q129-S135 VanDerWaalsContact O-CB 3.26Å; Q129-S135 WeakPolarHBondContact O-CB 3.35Å; Q129-S135 PolarHBondContact O-OG 2.91Å |
| 130 | Y | 76 | Confident | 77.1 | Confident | 99 Ų | 99 | 88.6 Ų | 88.6 | 39% | 0.388 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | 14.5 | -178.2 | -54 | -73.8 | 0 | 0 | 0 | 113.9 | E126 V127 N128 Q136 A139 | E126-Y130 WeakPolarHBondContact O-CD2 3.46Å; E126-Y130 WeakPolarHBondContact O-CE2 3.18Å; V127-Y130 PolarHBondContact O-N 2.84Å; N128-Y130 PolarHBondContact O-N 3.48Å; N128-Y130 VanDerWaalsContact O-N 3.12Å; Y130-Q136 HydrophobicContact CD1-CG 4.36Å; Y130-Q136 WeakPolarHBondContact O-CG 3.35Å; Y130-Q136 PolarHBondContact O-NE2 3.47Å; Y130-A139 HydrophobicContact CD1-CB 4.21Å; Y130-A139 HydrophobicContact CE1-CB 3.58Å |
| 131 | Q | 78.7 | Confident | 78.1 | Confident | 137 Ų | 137 | 91.7 Ų | 91.7 | 64% | 0.64 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -70.9 | -40.1 | -177.2 | -78.2 | -179.8 | -3.7 | 0 | 0 | 114.1 | N128 | N128-Q131 PolarHBondContact O-N 3.36Å; N128-Q131 PolarHBondContact OD1-NE2 2.69Å |
| 132 | S | 85 | Confident | 78.8 | Confident | 56 Ų | 56 | 91 Ų | 91 | 39% | 0.392 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -101.9 | 147.7 | 179.2 | 74.2 | 0 | 0 | 0 | 0 | 111.4 | E134 S135 Q136 | S132-E134 PolarHBondContact O-N 3.11Å; S132-S135 PolarHBondContact O-N 2.94Å; S132-S135 VanDerWaalsContact O-N 3.09Å; S132-S135 VanDerWaalsContact OG-CB 3.24Å; S132-S135 WeakPolarHBondContact OG-CB 3.17Å; S132-S135 PolarHBondContact OG-N 3.08Å; S132-Q136 WeakPolarHBondContact O-CG 3.33Å; S132-Q136 PolarHBondContact O-N 3.43Å |
| 133 | K | 87.7 | Confident | 79.3 | Confident | 164 Ų | 164 | 93.1 Ų | 93.1 | 71% | 0.713 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -52.7 | -39.2 | 172.4 | -179.5 | -178.8 | 176.7 | -178 | 0 | 111.7 | Q136 L137 | K133-Q136 PolarHBondContact O-N 2.88Å; K133-L137 HydrophobicContact CG-CD1 4.38Å; K133-L137 WeakPolarHBondContact O-CG 3.44Å; K133-L137 PolarHBondContact O-N 3.4Å |
| 134 | E | 88.9 | Confident | 79.9 | Confident | 162 Ų | 162 | 95.3 Ų | 95.3 | 76% | 0.757 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.6 | -43.5 | 177.5 | -67.2 | 177.5 | 175.9 | 0 | 0 | 112 | S132 Q136 L137 A138 | S132-E134 PolarHBondContact O-N 3.11Å; E134-Q136 VanDerWaalsContact C-N 3.33Å; E134-Q136 PolarHBondContact O-N 3.01Å; E134-L137 PolarHBondContact O-N 3.29Å; E134-A138 WeakPolarHBondContact O-CB 3.49Å; E134-A138 PolarHBondContact O-N 3.16Å |
| 135 | S | 86.9 | Confident | 80.6 | Confident | 36 Ų | 36 | 94.7 Ų | 94.7 | 25% | 0.252 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.9 | -36 | 177.1 | -164.6 | 0 | 0 | 0 | 0 | 111.7 | Q129 S132 A138 A139 | Q129-S135 VanDerWaalsContact O-CB 3.26Å; Q129-S135 WeakPolarHBondContact O-CB 3.35Å; Q129-S135 PolarHBondContact O-OG 2.91Å; S132-S135 PolarHBondContact O-N 2.94Å; S132-S135 VanDerWaalsContact O-N 3.09Å; S132-S135 VanDerWaalsContact OG-CB 3.24Å; S132-S135 WeakPolarHBondContact OG-CB 3.17Å; S132-S135 PolarHBondContact OG-N 3.08Å; S135-A138 PolarHBondContact O-N 3Å; S135-A139 VanDerWaalsContact O-CB 3.26Å; S135-A139 WeakPolarHBondContact O-CB 3.27Å; S135-A139 PolarHBondContact O-N 3.43Å |
| 136 | Q | 87.2 | Confident | 81.4 | Confident | 88 Ų | 88 | 96.8 Ų | 96.8 | 41% | 0.411 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.4 | -47.7 | 171.9 | -67.9 | 173.4 | 14.1 | 0 | 0 | 111.7 | Y130 S132 K133 E134 A139 I140 | Y130-Q136 HydrophobicContact CD1-CG 4.36Å; Y130-Q136 WeakPolarHBondContact O-CG 3.35Å; Y130-Q136 PolarHBondContact O-NE2 3.47Å; S132-Q136 WeakPolarHBondContact O-CG 3.33Å; S132-Q136 PolarHBondContact O-N 3.43Å; K133-Q136 PolarHBondContact O-N 2.88Å; E134-Q136 VanDerWaalsContact C-N 3.33Å; E134-Q136 PolarHBondContact O-N 3.01Å; Q136-A139 PolarHBondContact O-N 3.43Å; Q136-I140 VanDerWaalsContact O-CG1 3.27Å; Q136-I140 WeakPolarHBondContact O-CG1 3.27Å; Q136-I140 PolarHBondContact O-N 3.03Å |
| 137 | L | 88.4 | Confident | 81.8 | Confident | 101 Ų | 101 | 96 Ų | 96 | 53% | 0.529 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 176.6 | -71.4 | 173.7 | 0 | 0 | 0 | 111.7 | K133 E134 A139 I140 E141 | K133-L137 HydrophobicContact CG-CD1 4.38Å; K133-L137 WeakPolarHBondContact O-CG 3.44Å; K133-L137 PolarHBondContact O-N 3.4Å; E134-L137 PolarHBondContact O-N 3.29Å; L137-A139 VanDerWaalsContact C-N 3.35Å; L137-A139 PolarHBondContact O-N 2.87Å; L137-I140 PolarHBondContact O-N 2.99Å; L137-E141 PolarHBondContact O-N 3.12Å |
| 138 | A | 89.5 | Confident | 82.2 | Confident | 55 Ų | 55 | 102 Ų | 102 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E134 S135 E141 K142 | E134-A138 WeakPolarHBondContact O-CB 3.49Å; E134-A138 PolarHBondContact O-N 3.16Å; S135-A138 PolarHBondContact O-N 3Å; A138-E141 PolarHBondContact O-N 2.85Å; A138-K142 VanDerWaalsContact O-CB 3.27Å; A138-K142 WeakPolarHBondContact O-CB 3.45Å; A138-K142 PolarHBondContact O-N 3.26Å |
| 139 | A | 87.7 | Confident | 82.4 | Confident | 7 Ų | 7 | 102.1 Ų | 102.1 | 6% | 0.058 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -67 | -37.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y130 S135 Q136 L137 K143 | Y130-A139 HydrophobicContact CD1-CB 4.21Å; Y130-A139 HydrophobicContact CE1-CB 3.58Å; S135-A139 VanDerWaalsContact O-CB 3.26Å; S135-A139 WeakPolarHBondContact O-CB 3.27Å; S135-A139 PolarHBondContact O-N 3.43Å; Q136-A139 PolarHBondContact O-N 3.43Å; L137-A139 VanDerWaalsContact C-N 3.35Å; L137-A139 PolarHBondContact O-N 2.87Å; A139-K143 PolarHBondContact O-N 3.33Å |
| 140 | I | 86.5 | Confident | 82.3 | Confident | 89 Ų | 89 | 103 Ų | 103 | 46% | 0.456 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.3 | -48.8 | 173.1 | -70.3 | 165.8 | 0 | 0 | 0 | 110.2 | Q136 L137 K142 K143 F144 | Q136-I140 VanDerWaalsContact O-CG1 3.27Å; Q136-I140 WeakPolarHBondContact O-CG1 3.27Å; Q136-I140 PolarHBondContact O-N 3.03Å; L137-I140 PolarHBondContact O-N 2.99Å; I140-K142 VanDerWaalsContact C-N 3.32Å; I140-K142 PolarHBondContact O-N 3.33Å; I140-K143 WeakPolarHBondContact O-CB 3.48Å; I140-K143 PolarHBondContact O-N 3.34Å; I140-K143 VanDerWaalsContact O-N 3.16Å; I140-F144 HydrophobicContact CG2-CD2 3.73Å; I140-F144 HydrophobicContact CG2-CE2 3.45Å; I140-F144 VanDerWaalsContact CG2-CE2 3.45Å; I140-F144 WeakPolarHBondContact O-CD2 3.28Å; I140-F144 PolarHBondContact O-N 2.73Å |
| 141 | E | 88.9 | Confident | 81.8 | Confident | 137 Ų | 137 | 103.1 Ų | 103.1 | 64% | 0.64 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.4 | -36.3 | 179.2 | -170.4 | 169.6 | -164.3 | 0 | 0 | 112.4 | L137 A138 F144 S145 | L137-E141 PolarHBondContact O-N 3.12Å; A138-E141 PolarHBondContact O-N 2.85Å; E141-F144 PolarHBondContact O-N 3.46Å; E141-S145 WeakPolarHBondContact O-CB 3.48Å; E141-S145 PolarHBondContact O-N 2.68Å; E141-S145 PolarHBondContact O-OG 3.27Å |
| 142 | K | 88.2 | Confident | 81.4 | Confident | 112 Ų | 112 | 105.6 Ų | 105.6 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60 | -47.4 | 170.6 | -178.4 | -180 | 172.2 | -175.9 | 0 | 111.2 | A138 I140 F144 S145 E146 | A138-K142 VanDerWaalsContact O-CB 3.27Å; A138-K142 WeakPolarHBondContact O-CB 3.45Å; A138-K142 PolarHBondContact O-N 3.26Å; I140-K142 VanDerWaalsContact C-N 3.32Å; I140-K142 PolarHBondContact O-N 3.33Å; K142-F144 VanDerWaalsContact C-N 3.33Å; K142-F144 PolarHBondContact O-N 3.4Å; K142-S145 WeakPolarHBondContact O-CB 3.35Å; K142-S145 PolarHBondContact O-N 3.27Å; K142-S145 VanDerWaalsContact O-N 3.08Å; K142-E146 WeakPolarHBondContact CE-OE1 3.16Å; K142-E146 HydrophobicContact CG-CG 4.47Å; K142-E146 IonicContact NZ-OE1 2.83Å; K142-E146 WeakPolarHBondContact O-CG 3.44Å; K142-E146 PolarHBondContact O-N 3.11Å |
| 143 | K | 83.3 | Confident | 81.1 | Confident | 128 Ų | 128 | 109.2 Ų | 109.2 | 56% | 0.557 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58.8 | -42.4 | 174.9 | -78.5 | -173.3 | 177.7 | 179.1 | 0 | 111.9 | A139 I140 S145 E146 V147 | A139-K143 PolarHBondContact O-N 3.33Å; I140-K143 WeakPolarHBondContact O-CB 3.48Å; I140-K143 PolarHBondContact O-N 3.34Å; I140-K143 VanDerWaalsContact O-N 3.16Å; K143-S145 VanDerWaalsContact C-N 3.3Å; K143-S145 PolarHBondContact O-N 2.86Å; K143-E146 PolarHBondContact O-N 3.19Å; K143-V147 VanDerWaalsContact O-CG2 3.28Å; K143-V147 WeakPolarHBondContact O-CG2 3.26Å; K143-V147 PolarHBondContact O-N 3.24Å |
| 144 | F | 82.2 | Confident | 80.7 | Confident | 138 Ų | 138 | 105.4 Ų | 105.4 | 61% | 0.605 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.6 | -35.5 | 175 | -78.8 | -68.2 | 0 | 0 | 0 | 112.7 | I140 E141 K142 R148 | I140-F144 HydrophobicContact CG2-CD2 3.73Å; I140-F144 HydrophobicContact CG2-CE2 3.45Å; I140-F144 VanDerWaalsContact CG2-CE2 3.45Å; I140-F144 WeakPolarHBondContact O-CD2 3.28Å; I140-F144 PolarHBondContact O-N 2.73Å; E141-F144 PolarHBondContact O-N 3.46Å; K142-F144 VanDerWaalsContact C-N 3.33Å; K142-F144 PolarHBondContact O-N 3.4Å; F144-R148 WeakPolarHBondContact O-CG 3.3Å; F144-R148 PolarHBondContact O-N 3.48Å |
| 145 | S | 81.4 | Confident | 80.2 | Confident | 63 Ų | 63 | 103.5 Ų | 103.5 | 44% | 0.441 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.8 | -41.3 | 176.5 | -60 | 0 | 0 | 0 | 0 | 112.2 | E141 K142 K143 V147 R148 S149 | E141-S145 WeakPolarHBondContact O-CB 3.48Å; E141-S145 PolarHBondContact O-N 2.68Å; E141-S145 PolarHBondContact O-OG 3.27Å; K142-S145 WeakPolarHBondContact O-CB 3.35Å; K142-S145 PolarHBondContact O-N 3.27Å; K142-S145 VanDerWaalsContact O-N 3.08Å; K143-S145 VanDerWaalsContact C-N 3.3Å; K143-S145 PolarHBondContact O-N 2.86Å; S145-V147 VanDerWaalsContact C-N 3.35Å; S145-V147 PolarHBondContact O-N 3Å; S145-R148 WeakPolarHBondContact O-CB 3.23Å; S145-R148 PolarHBondContact O-N 3.4Å; S145-R148 VanDerWaalsContact O-N 3.14Å; S145-S149 PolarHBondContact O-N 3.28Å |
| 146 | E | 81.8 | Confident | 79.9 | Confident | 98 Ų | 98 | 107.2 Ų | 107.2 | 46% | 0.458 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.1 | -37.9 | 175.9 | -73.3 | 174.2 | 177.9 | 0 | 0 | 112.2 | K142 K143 R148 S149 | K142-E146 WeakPolarHBondContact CE-OE1 3.16Å; K142-E146 HydrophobicContact CG-CG 4.47Å; K142-E146 IonicContact NZ-OE1 2.83Å; K142-E146 WeakPolarHBondContact O-CG 3.44Å; K142-E146 PolarHBondContact O-N 3.11Å; K143-E146 PolarHBondContact O-N 3.19Å; E146-R148 PolarHBondContact O-N 3.31Å; E146-S149 WeakPolarHBondContact CA-OG 3.46Å; E146-S149 CarbonylContact O-C 3.52Å; E146-S149 WeakPolarHBondContact O-CA 3.4Å; E146-S149 PolarHBondContact O-N 3.33Å; E146-S149 VanDerWaalsContact O-N 3.09Å; E146-S149 PolarHBondContact O-OG 3.06Å |
| 147 | V | 74.2 | Confident | 79.4 | Confident | 110 Ų | 110 | 109.4 Ų | 109.4 | 67% | 0.667 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.9 | -30.2 | 174.9 | 172.1 | 0 | 0 | 0 | 0 | 111.7 | K143 S145 S149 | K143-V147 VanDerWaalsContact O-CG2 3.28Å; K143-V147 WeakPolarHBondContact O-CG2 3.26Å; K143-V147 PolarHBondContact O-N 3.24Å; S145-V147 VanDerWaalsContact C-N 3.35Å; S145-V147 PolarHBondContact O-N 3Å; V147-S149 VanDerWaalsContact C-N 3.35Å |
| 148 | R | 71.4 | Confident | 79 | Confident | 215 Ų | 215 | 108.4 Ų | 108.4 | 81% | 0.811 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69 | -33 | 172.5 | -68.2 | 175.5 | -179.7 | -179.8 | 2.2 | 111.9 | F144 S145 E146 I150 | F144-R148 WeakPolarHBondContact O-CG 3.3Å; F144-R148 PolarHBondContact O-N 3.48Å; S145-R148 WeakPolarHBondContact O-CB 3.23Å; S145-R148 PolarHBondContact O-N 3.4Å; S145-R148 VanDerWaalsContact O-N 3.14Å; E146-R148 PolarHBondContact O-N 3.31Å; R148-I150 VanDerWaalsContact C-N 3.33Å; R148-I150 PolarHBondContact O-N 2.7Å; R148-I150 VanDerWaalsContact O-N 3.13Å |
| 149 | S | 70.6 | Confident | 78.5 | Confident | 80 Ų | 80 | 110.5 Ų | 110.5 | 56% | 0.559 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -83.5 | 76.3 | 170.4 | 59 | 0 | 0 | 0 | 0 | 110.6 | S145 E146 V147 P151 | S145-S149 PolarHBondContact O-N 3.28Å; E146-S149 WeakPolarHBondContact CA-OG 3.46Å; E146-S149 CarbonylContact O-C 3.52Å; E146-S149 WeakPolarHBondContact O-CA 3.4Å; E146-S149 PolarHBondContact O-N 3.33Å; E146-S149 VanDerWaalsContact O-N 3.09Å; E146-S149 PolarHBondContact O-OG 3.06Å; V147-S149 VanDerWaalsContact C-N 3.35Å; S149-P151 WeakPolarHBondContact O-CD 3.19Å; S149-P151 VanDerWaalsContact O-N 3.1Å |
| 150 | I | 63.5 | Low | 78.2 | Confident | 87 Ų | 87 | 113.3 Ų | 113.3 | 45% | 0.446 | 59% | 0.589 | S | S | . | * | trans | -49.8 | 113.9 | -176.4 | -62.5 | 165.1 | 0 | 0 | 0 | 111.7 | R148 R152 V165 | R148-I150 VanDerWaalsContact C-N 3.33Å; R148-I150 PolarHBondContact O-N 2.7Å; R148-I150 VanDerWaalsContact O-N 3.13Å; I150-R152 HydrophobicContact CG2-CG 4.33Å; I150-R152 PolarHBondContact O-N 2.88Å; I150-R152 VanDerWaalsContact O-N 3.1Å; I150-V165 HydrophobicContact CD1-CG2 4.36Å; I150-V165 HydrophobicContact CG2-CG2 3.61Å | ||
| 151 | P | 65.5 | Low | 77.8 | Confident | 103 Ų | 103 | 114.6 Ų | 114.6 | 67% | 0.669 | 59% | 0.592 | S | S | * | * | trans | -71.5 | 107.6 | 168.1 | 27.3 | -29.7 | 0 | 0 | 0 | 108.6 | S149 K153 | S149-P151 WeakPolarHBondContact O-CD 3.19Å; S149-P151 VanDerWaalsContact O-N 3.1Å; P151-K153 PolarHBondContact O-N 3.28Å | ||
| 152 | R | 69.8 | Low | 77 | Confident | 188 Ų | 188 | 110.6 Ų | 110.6 | 71% | 0.709 | 58% | 0.582 | S | S | * | * | trans | -73.8 | -8.6 | 177.2 | -71.5 | -173.3 | 176.3 | 173.9 | -1 | 113.7 | I150 F161 A162 | I150-R152 HydrophobicContact CG2-CG 4.33Å; I150-R152 PolarHBondContact O-N 2.88Å; I150-R152 VanDerWaalsContact O-N 3.1Å; R152-F161 CarbonylContact O-C 3.58Å; R152-F161 WeakPolarHBondContact O-CA 3.47Å; R152-F161 WeakPolarHBondContact O-CB 3.39Å; R152-A162 PolarHBondContact O-N 3.3Å | ||
| 153 | K | 78.9 | Confident | 76.3 | Confident | 133 Ų | 133 | 112.4 Ų | 112.4 | 58% | 0.578 | 60% | 0.602 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112 | 141.4 | -175.5 | -66 | -177.8 | -179.5 | 178.6 | 0 | 110.7 | P151 F161 | P151-K153 PolarHBondContact O-N 3.28Å; K153-F161 HydrophobicContact CD-CE1 4.13Å; K153-F161 HydrophobicContact CG-CD1 3.81Å; K153-F161 HydrophobicContact CG-CE1 3.59Å |
| 154 | H | 79.5 | Confident | 75.4 | Confident | 84 Ų | 84 | 114.6 Ų | 114.6 | 39% | 0.389 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.6 | 135.5 | 174 | -175.2 | -76.5 | 0 | 0 | 0 | 110.7 | C156 K157 V160 | H154-C156 VanDerWaalsContact C-N 3.33Å; H154-C156 PolarHBondContact ND1-N 3.46Å; H154-C156 VanDerWaalsContact ND1-N 3.15Å; H154-C156 PolarHBondContact O-N 2.91Å; H154-K157 HydrophobicContact CB-CB 4.42Å; H154-K157 PolarHBondContact ND1-N 2.86Å; H154-K157 PolarHBondContact O-N 3.31Å; H154-V160 HydrophobicContact CB-CB 3.63Å; H154-V160 HydrophobicContact CB-CG1 3.9Å; H154-V160 PolarHBondContact N-O 3.25Å |
| 155 | P | 78.4 | Confident | 74.5 | Confident | 121 Ų | 121 | 112 Ų | 112 | 79% | 0.786 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -39.7 | -172.4 | 20.5 | -32.6 | 0 | 0 | 0 | 113.5 | ||
| 156 | C | 81.5 | Confident | 73.5 | Confident | 114 Ų | 114 | 111.9 Ų | 111.9 | 77% | 0.77 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | -4.4 | -176.9 | -48.6 | 0 | 0 | 0 | 0 | 114.8 | H154 | H154-C156 VanDerWaalsContact C-N 3.33Å; H154-C156 PolarHBondContact ND1-N 3.46Å; H154-C156 VanDerWaalsContact ND1-N 3.15Å; H154-C156 PolarHBondContact O-N 2.91Å |
| 157 | K | 76.2 | Confident | 72.5 | Confident | 134 Ų | 134 | 109.2 Ų | 109.2 | 58% | 0.583 | 62% | 0.617 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -143.5 | 96.5 | -172.3 | -69.6 | -174.8 | -179.1 | 178 | 0 | 109.9 | H154 S159 V160 | H154-K157 HydrophobicContact CB-CB 4.42Å; H154-K157 PolarHBondContact ND1-N 2.86Å; H154-K157 PolarHBondContact O-N 3.31Å; K157-S159 PolarHBondContact O-N 3.48Å; K157-V160 HydrophobicContact CB-CB 4.4Å; K157-V160 HydrophobicContact CB-CG2 3.96Å; K157-V160 HydrophobicContact CD-CG2 4.34Å; K157-V160 PolarHBondContact O-N 2.87Å |
| 158 | A | 79.5 | Confident | 71.9 | Confident | 80 Ų | 80 | 110.8 Ų | 110.8 | 66% | 0.661 | 62% | 0.62 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -59 | -20 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 159 | S | 80.4 | Confident | 71.6 | Confident | 100 Ų | 100 | 107.7 Ų | 107.7 | 70% | 0.699 | 61% | 0.613 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84 | -10.6 | 178.8 | 56.9 | 0 | 0 | 0 | 0 | 114.7 | K157 F161 | K157-S159 PolarHBondContact O-N 3.48Å; S159-F161 WeakPolarHBondContact O-CD2 3.2Å; S159-F161 WeakPolarHBondContact O-CE2 3.46Å |
| 160 | V | 81.3 | Confident | 71.6 | Confident | 65 Ų | 65 | 108.9 Ų | 108.9 | 39% | 0.394 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.5 | 123.2 | -178 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | H154 K157 | H154-V160 HydrophobicContact CB-CB 3.63Å; H154-V160 HydrophobicContact CB-CG1 3.9Å; H154-V160 PolarHBondContact N-O 3.25Å; K157-V160 HydrophobicContact CB-CB 4.4Å; K157-V160 HydrophobicContact CB-CG2 3.96Å; K157-V160 HydrophobicContact CD-CG2 4.34Å; K157-V160 PolarHBondContact O-N 2.87Å |
| 161 | F | 78.4 | Confident | 72.1 | Confident | 117 Ų | 117 | 109.9 Ų | 109.9 | 51% | 0.513 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.9 | 144 | -179 | -60.1 | -92.7 | 0 | 0 | 0 | 111.5 | R152 K153 S159 V163 | R152-F161 CarbonylContact O-C 3.58Å; R152-F161 WeakPolarHBondContact O-CA 3.47Å; R152-F161 WeakPolarHBondContact O-CB 3.39Å; K153-F161 HydrophobicContact CD-CE1 4.13Å; K153-F161 HydrophobicContact CG-CD1 3.81Å; K153-F161 HydrophobicContact CG-CE1 3.59Å; S159-F161 WeakPolarHBondContact O-CD2 3.2Å; S159-F161 WeakPolarHBondContact O-CE2 3.46Å; F161-V163 PolarHBondContact O-N 2.96Å |
| 162 | A | 70.8 | Confident | 72.5 | Confident | 53 Ų | 53 | 108.6 Ų | 108.6 | 44% | 0.438 | 60% | 0.602 | S | S | . | * | trans | -71.7 | 118.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | R152 | R152-A162 PolarHBondContact O-N 3.3Š| ||
| 163 | V | 72.7 | Confident | 72.9 | Confident | 150 Ų | 150 | 100.7 Ų | 100.7 | 91% | 0.909 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -80 | -40.9 | 179.7 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | F161 | F161-V163 PolarHBondContact O-N 2.96Š|
| 164 | E | 65.9 | Low | 73.1 | Confident | 173 Ų | 173 | 95.8 Ų | 95.8 | 81% | 0.808 | 55% | 0.553 | S | S | * | * | trans | -144.4 | 136 | 180 | -168 | 176.3 | 176.2 | 0 | 0 | 109.1 | ||||
| 165 | V | 62.4 | Low | 73.1 | Confident | 85 Ų | 85 | 96 Ų | 96 | 52% | 0.515 | 56% | 0.56 | S | S | . | * | trans | -104.9 | 96.7 | 175.9 | -175.5 | 0 | 0 | 0 | 0 | 107.7 | I150 G167 | I150-V165 HydrophobicContact CD1-CG2 4.36Å; I150-V165 HydrophobicContact CG2-CG2 3.61Å; V165-G167 PolarHBondContact O-N 3.09Å | ||
| 166 | G | 60.2 | Low | 73.3 | Confident | 59 Ų | 59 | 95.7 Ų | 95.7 | 61% | 0.608 | 56% | 0.556 | S | S | * | * | trans | -68.5 | 110.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 167 | G | 61.7 | Low | 73.5 | Confident | 42 Ų | 42 | 90.9 Ų | 90.9 | 43% | 0.433 | 52% | 0.524 | S | S | . | . | trans | -60.3 | 146.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | V165 F169 Y170 | V165-G167 PolarHBondContact O-N 3.09Å; G167-F169 PolarHBondContact O-N 3.04Å; G167-Y170 WeakPolarHBondContact O-CB 3.36Å; G167-Y170 PolarHBondContact O-N 3.48Å | ||
| 168 | L | 62.3 | Low | 74 | Confident | 143 Ų | 143 | 85.8 Ų | 85.8 | 75% | 0.749 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -51.5 | -33.4 | 176.5 | -149.7 | 80.8 | 0 | 0 | 0 | 111.4 | Y170 L171 T172 | L168-Y170 VanDerWaalsContact C-N 3.28Å; L168-Y170 PolarHBondContact O-N 2.87Å; L168-L171 PolarHBondContact O-N 3.01Å; L168-L171 VanDerWaalsContact O-N 3.17Å; L168-T172 PolarHBondContact O-N 3.27Å; L168-T172 PolarHBondContact O-OG1 3.43Å |
| 169 | F | 64.3 | Low | 74.5 | Confident | 151 Ų | 151 | 84.4 Ų | 84.4 | 66% | 0.662 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -55.7 | -38.3 | 175.3 | -167.3 | -96.2 | 0 | 0 | 0 | 113.5 | G167 F173 | G167-F169 PolarHBondContact O-N 3.04Å; F169-F173 WeakPolarHBondContact O-CB 3.24Å; F169-F173 PolarHBondContact O-N 2.57Å |
| 170 | Y | 71.4 | Confident | 75 | Confident | 105 Ų | 105 | 83.5 Ų | 83.5 | 41% | 0.412 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.4 | -43.7 | 178.2 | -175.7 | -104.5 | 0 | 0 | 0 | 111.3 | G167 L168 F173 L174 L202 | G167-Y170 WeakPolarHBondContact O-CB 3.36Å; G167-Y170 PolarHBondContact O-N 3.48Å; L168-Y170 VanDerWaalsContact C-N 3.28Å; L168-Y170 PolarHBondContact O-N 2.87Å; Y170-F173 PolarHBondContact O-N 2.82Å; Y170-L174 HydrophobicContact CD1-CD1 3.72Å; Y170-L174 HydrophobicContact CD1-CG 4.28Å; Y170-L174 HydrophobicContact CE1-CD1 3.25Å; Y170-L174 HydrophobicContact CE1-CG 3.94Å; Y170-L174 WeakPolarHBondContact O-CB 3.26Å; Y170-L174 WeakPolarHBondContact O-CG 3.47Å; Y170-L174 PolarHBondContact O-N 2.83Å; Y170-L202 HydrophobicContact CE2-CD2 3.71Å |
| 171 | L | 72.8 | Confident | 75.3 | Confident | 107 Ų | 107 | 87 Ų | 87 | 56% | 0.56 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.7 | -45.8 | 177.4 | -174.9 | 66.1 | 0 | 0 | 0 | 111.3 | L168 F173 L174 V175 | L168-L171 PolarHBondContact O-N 3.01Å; L168-L171 VanDerWaalsContact O-N 3.17Å; L171-F173 VanDerWaalsContact C-N 3.32Å; L171-F173 PolarHBondContact O-N 3.47Å; L171-L174 PolarHBondContact O-N 3.38Å; L171-V175 VanDerWaalsContact O-CG2 3.29Å; L171-V175 WeakPolarHBondContact O-CG2 3.26Å; L171-V175 PolarHBondContact O-N 3.23Å |
| 172 | T | 73.5 | Confident | 75.8 | Confident | 76 Ų | 76 | 84.3 Ų | 84.3 | 47% | 0.466 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.1 | -46.8 | 174.6 | -54.3 | 0 | 0 | 0 | 0 | 110.5 | L168 L174 V175 T176 | L168-T172 PolarHBondContact O-N 3.27Å; L168-T172 PolarHBondContact O-OG1 3.43Å; T172-L174 PolarHBondContact O-N 3.29Å; T172-V175 PolarHBondContact O-N 3.03Å; T172-T176 WeakPolarHBondContact O-CB 3.28Å; T172-T176 PolarHBondContact O-N 3.45Å; T172-T176 PolarHBondContact O-OG1 2.96Å |
| 173 | F | 79 | Confident | 76.6 | Confident | 23 Ų | 23 | 84.2 Ų | 84.2 | 10% | 0.101 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 179.4 | -174 | -104.5 | 0 | 0 | 0 | 112.7 | F169 Y170 L171 S177 L202 I205 K206 | F169-F173 WeakPolarHBondContact O-CB 3.24Å; F169-F173 PolarHBondContact O-N 2.57Å; Y170-F173 PolarHBondContact O-N 2.82Å; L171-F173 VanDerWaalsContact C-N 3.32Å; L171-F173 PolarHBondContact O-N 3.47Å; F173-S177 WeakPolarHBondContact O-CB 3.1Å; F173-S177 PolarHBondContact O-N 2.93Å; F173-S177 PolarHBondContact O-OG 2.95Å; F173-L202 HydrophobicContact CD1-CD1 3.68Å; F173-L202 HydrophobicContact CD1-CG 4.31Å; F173-L202 HydrophobicContact CE1-CD1 3.45Å; F173-L202 VanDerWaalsContact CE1-CD1 3.45Å; F173-L202 HydrophobicContact CE1-CG 3.95Å; F173-I205 HydrophobicContact CE2-CG2 4.37Å; F173-I205 HydrophobicContact CZ-CB 4.24Å; F173-I205 HydrophobicContact CZ-CG2 3.73Å; F173-K206 HydrophobicContact CE1-CB 3.81Å; F173-K206 HydrophobicContact CE1-CG 4.32Å; F173-K206 VanDerWaalsContact CZ-CA 3.48Å; F173-K206 HydrophobicContact CZ-CB 3.73Å; F173-K206 HydrophobicContact CZ-CG 4.27Å |
| 174 | L | 82.1 | Confident | 77.2 | Confident | 30 Ų | 30 | 82.5 Ų | 82.5 | 16% | 0.157 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 174 | -81.4 | 177.1 | 0 | 0 | 0 | 111.8 | Y170 L171 T172 S177 S178 L202 | Y170-L174 HydrophobicContact CD1-CD1 3.72Å; Y170-L174 HydrophobicContact CD1-CG 4.28Å; Y170-L174 HydrophobicContact CE1-CD1 3.25Å; Y170-L174 HydrophobicContact CE1-CG 3.94Å; Y170-L174 WeakPolarHBondContact O-CB 3.26Å; Y170-L174 WeakPolarHBondContact O-CG 3.47Å; Y170-L174 PolarHBondContact O-N 2.83Å; L171-L174 PolarHBondContact O-N 3.38Å; T172-L174 PolarHBondContact O-N 3.29Å; L174-S177 PolarHBondContact O-N 2.83Å; L174-S178 WeakPolarHBondContact O-CB 3.35Å; L174-S178 PolarHBondContact O-N 2.87Å; L174-L202 HydrophobicContact CD2-CD1 3.74Å; L174-L202 HydrophobicContact CD2-CD2 3.64Å; L174-L202 HydrophobicContact CD2-CG 4.35Å |
| 175 | V | 80.8 | Confident | 77.9 | Confident | 89 Ų | 89 | 76.3 Ų | 76.3 | 54% | 0.539 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.8 | -46.7 | -179.4 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | L171 T172 S177 S178 | L171-V175 VanDerWaalsContact O-CG2 3.29Å; L171-V175 WeakPolarHBondContact O-CG2 3.26Å; L171-V175 PolarHBondContact O-N 3.23Å; T172-V175 PolarHBondContact O-N 3.03Å; V175-S177 VanDerWaalsContact C-N 3.27Å; V175-S177 PolarHBondContact O-N 2.82Å; V175-S178 WeakPolarHBondContact O-CB 3.27Å; V175-S178 PolarHBondContact O-N 3.12Å; V175-S178 PolarHBondContact O-OG 2.87Å |
| 176 | T | 81.9 | Confident | 79.1 | Confident | 113 Ų | 113 | 81.3 Ų | 81.3 | 69% | 0.693 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -66 | -29.4 | 177.9 | -55.3 | 0 | 0 | 0 | 0 | 112.7 | T172 | T172-T176 WeakPolarHBondContact O-CB 3.28Å; T172-T176 PolarHBondContact O-N 3.45Å; T172-T176 PolarHBondContact O-OG1 2.96Å |
| 177 | S | 85.1 | Confident | 80.2 | Confident | 14 Ų | 14 | 84.1 Ų | 84.1 | 10% | 0.098 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -87.8 | -7.5 | 177.1 | -54.2 | 0 | 0 | 0 | 0 | 113.5 | F173 L174 V175 Y224 | F173-S177 WeakPolarHBondContact O-CB 3.1Å; F173-S177 PolarHBondContact O-N 2.93Å; F173-S177 PolarHBondContact O-OG 2.95Å; L174-S177 PolarHBondContact O-N 2.83Å; V175-S177 VanDerWaalsContact C-N 3.27Å; V175-S177 PolarHBondContact O-N 2.82Å; S177-Y224 VanDerWaalsContact O-CE1 3.23Å; S177-Y224 WeakPolarHBondContact O-CE1 3.41Å; S177-Y224 PolarHBondContact O-OH 2.86Å |
| 178 | S | 88.5 | Confident | 81.1 | Confident | 27 Ų | 27 | 88.3 Ų | 88.3 | 19% | 0.189 | 47% | 0.469 | C | S | . | . | trans | -77.1 | 158.8 | 179.5 | 75.9 | 0 | 0 | 0 | 0 | 112 | L174 V175 L195 | L174-S178 WeakPolarHBondContact O-CB 3.35Å; L174-S178 PolarHBondContact O-N 2.87Å; V175-S178 WeakPolarHBondContact O-CB 3.27Å; V175-S178 PolarHBondContact O-N 3.12Å; V175-S178 PolarHBondContact O-OG 2.87Å; S178-L195 WeakPolarHBondContact CA-O 3.44Å | ||
| 179 | I | 89.7 | Confident | 82.1 | Confident | 50 Ų | 50 | 86.7 Ų | 86.7 | 26% | 0.256 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 128.8 | 176.1 | -64.6 | 167.4 | 0 | 0 | 0 | 108.3 | L195 Y224 V285 | I179-L195 HydrophobicContact CB-CB 4.32Å; I179-L195 HydrophobicContact CG2-CD1 4.46Å; I179-L195 PolarHBondContact N-O 3.11Å; I179-L195 PolarHBondContact O-N 2.96Å; I179-Y224 HydrophobicContact CB-CE1 4.48Å; I179-Y224 HydrophobicContact CD1-CD1 3.88Å; I179-Y224 HydrophobicContact CD1-CD2 4.26Å; I179-Y224 HydrophobicContact CD1-CE1 3.57Å; I179-Y224 HydrophobicContact CD1-CE2 3.99Å; I179-Y224 HydrophobicContact CD1-CG 4.22Å; I179-Y224 HydrophobicContact CG1-CD1 4.26Å; I179-Y224 HydrophobicContact CG1-CE1 3.78Å; I179-V285 HydrophobicContact CD1-CB 4.25Å; I179-V285 HydrophobicContact CD1-CG1 3.9Å; I179-V285 HydrophobicContact CD1-CG2 3.66Å |
| 180 | S | 89.3 | Confident | 83.1 | Confident | 81 Ų | 81 | 84.2 Ų | 84.2 | 57% | 0.566 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 130.3 | 168.7 | 48.1 | 0 | 0 | 0 | 0 | 109.7 | A193 | S180-A193 WeakPolarHBondContact CA-O 3.39Å |
| 181 | R | 89.3 | Confident | 83.9 | Confident | 140 Ų | 140 | 79.8 Ų | 79.8 | 53% | 0.528 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 128.4 | 176.1 | -171.1 | 175.4 | -179.8 | 94.2 | 0.1 | 110.3 | V192 A193 L195 | R181-V192 WeakPolarHBondContact O-CA 3.46Å; R181-A193 PolarHBondContact N-O 3.5Å; R181-A193 PolarHBondContact O-N 2.89Å; R181-L195 HydrophobicContact CB-CD1 4.46Å |
| 182 | G | 89.3 | Confident | 84.8 | Confident | 59 Ų | 59 | 75.8 Ų | 75.8 | 61% | 0.608 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 133.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 183 | M | 86.6 | Confident | 85.5 | Confident | 51 Ų | 51 | 72.2 Ų | 72.2 | 25% | 0.251 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 158.5 | 179.2 | -65.1 | 178.7 | 69 | 0 | 0 | 109 | Q190 F191 A193 L278 L281 | M183-Q190 WeakPolarHBondContact O-CA 3.41Å; M183-F191 HydrophobicContact CB-CD1 4.24Å; M183-F191 HydrophobicContact CB-CD2 4.05Å; M183-F191 HydrophobicContact CB-CE1 3.75Å; M183-F191 HydrophobicContact CB-CE2 3.55Å; M183-F191 HydrophobicContact CB-CG 4.39Å; M183-F191 HydrophobicContact CB-CZ 3.38Å; M183-F191 HydrophobicContact CE-CE2 4.26Å; M183-F191 HydrophobicContact CE-CZ 3.96Å; M183-F191 HydrophobicContact CG-CE2 4.17Å; M183-F191 HydrophobicContact CG-CZ 4.27Å; M183-F191 PolarHBondContact N-O 2.78Å; M183-F191 PolarHBondContact O-N 3.17Å; M183-F191 VanDerWaalsContact O-O 3.12Å; M183-F191 HydrophobicContact SD-CE2 3.77Å; M183-F191 HydrophobicContact SD-CZ 4.05Å; M183-A193 HydrophobicContact CG-CB 4.48Å; M183-A193 HydrophobicContact SD-CB 3.6Å; M183-A193 VanDerWaalsContact SD-CB 3.6Å; M183-L278 HydrophobicContact CE-CD2 3.72Å; M183-L281 HydrophobicContact CE-CD2 4.41Å; M183-L281 HydrophobicContact SD-CD2 4.47Å |
| 184 | M | 85.2 | Confident | 86.1 | Confident | 114 Ų | 114 | 74.3 Ų | 74.3 | 56% | 0.562 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 137.4 | 173.1 | -75.5 | 169.8 | 161.4 | 0 | 0 | 108.1 | E189 Q190 | M184-E189 WeakPolarHBondContact CA-O 3.29Å; M184-Q190 HydrophobicContact CE-CG 3.46Å; M184-Q190 VanDerWaalsContact CE-CG 3.46Å; M184-Q190 HydrophobicContact CG-CG 3.75Å; M184-Q190 HydrophobicContact SD-CG 4.47Å |
| 185 | D | 81.7 | Confident | 86.6 | Confident | 44 Ų | 44 | 73.2 Ų | 73.2 | 24% | 0.235 | 39% | 0.391 | C | S | . | . | trans | -83.6 | -179.4 | 173.8 | 74 | 0 | 0 | 0 | 0 | 111.8 | N187 N188 E189 F191 | D185-N187 PolarHBondContact O-N 3.38Å; D185-N187 VanDerWaalsContact O-N 3.17Å; D185-N187 WeakPolarHBondContact OD1-CA 3.44Å; D185-N187 WeakPolarHBondContact OD1-CB 3.45Å; D185-N187 PolarHBondContact OD1-N 3.45Å; D185-N188 PolarHBondContact O-N 3.32Å; D185-N188 VanDerWaalsContact O-N 3.12Å; D185-N188 PolarHBondContact OD1-N 3Å; D185-N188 VanDerWaalsContact OD1-N 3.11Å; D185-E189 PolarHBondContact N-O 3.46Å; D185-E189 WeakPolarHBondContact OD1-CA 3.38Å; D185-E189 WeakPolarHBondContact OD1-CB 3.43Å; D185-E189 PolarHBondContact OD1-N 2.86Å; D185-F191 HydrophobicContact CB-CD1 4.42Å; D185-F191 HydrophobicContact CB-CE1 4.01Å | ||
| 186 | E | 85.7 | Confident | 87.1 | Confident | 189 Ų | 189 | 71.8 Ų | 71.8 | 88% | 0.883 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -17.8 | 177.9 | -62.9 | 178.3 | 173.2 | 0 | 0 | 113 | ||
| 187 | N | 84.9 | Confident | 87.5 | Confident | 119 Ų | 119 | 66.9 Ų | 66.9 | 64% | 0.636 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 5.4 | 179.1 | -58.1 | -27.3 | 0 | 0 | 0 | 112.6 | D185 E189 | D185-N187 PolarHBondContact O-N 3.38Å; D185-N187 VanDerWaalsContact O-N 3.17Å; D185-N187 WeakPolarHBondContact OD1-CA 3.44Å; D185-N187 WeakPolarHBondContact OD1-CB 3.45Å; D185-N187 PolarHBondContact OD1-N 3.45Å; N187-E189 HydrophobicContact CB-CG 4.31Å; N187-E189 PolarHBondContact O-N 2.94Å |
| 188 | N | 80.7 | Confident | 87.8 | Confident | 130 Ų | 130 | 67 Ų | 67 | 70% | 0.695 | 35% | 0.35 | S | S | * | . | trans | 63 | 18.8 | -170.8 | -57 | -50.4 | 0 | 0 | 0 | 114.6 | D185 | D185-N188 PolarHBondContact O-N 3.32Å; D185-N188 VanDerWaalsContact O-N 3.12Å; D185-N188 PolarHBondContact OD1-N 3Å; D185-N188 VanDerWaalsContact OD1-N 3.11Å | ||
| 189 | E | 82.9 | Confident | 87.8 | Confident | 109 Ų | 109 | 71.2 Ų | 71.2 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | trans | -76.8 | 125.5 | 170.1 | -61.3 | -167.9 | 161.9 | 0 | 0 | 109.8 | M184 D185 N187 | M184-E189 WeakPolarHBondContact CA-O 3.29Å; D185-E189 PolarHBondContact N-O 3.46Å; D185-E189 WeakPolarHBondContact OD1-CA 3.38Å; D185-E189 WeakPolarHBondContact OD1-CB 3.43Å; D185-E189 PolarHBondContact OD1-N 2.86Å; N187-E189 HydrophobicContact CB-CG 4.31Å; N187-E189 PolarHBondContact O-N 2.94Å | ||
| 190 | Q | 85.7 | Confident | 87.7 | Confident | 98 Ų | 98 | 73.1 Ų | 73.1 | 46% | 0.458 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 131.7 | 178.7 | -64.3 | 178.7 | 16.4 | 0 | 0 | 110.7 | M183 M184 | M183-Q190 WeakPolarHBondContact O-CA 3.41Å; M184-Q190 HydrophobicContact CE-CG 3.46Å; M184-Q190 VanDerWaalsContact CE-CG 3.46Å; M184-Q190 HydrophobicContact CG-CG 3.75Å; M184-Q190 HydrophobicContact SD-CG 4.47Å |
| 191 | F | 87.4 | Confident | 87.6 | Confident | 12 Ų | 12 | 69.3 Ų | 69.3 | 5% | 0.053 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 156.9 | 175.1 | 66.6 | -87.5 | 0 | 0 | 0 | 111.5 | M183 D185 A193 Q229 Y230 L278 | M183-F191 HydrophobicContact CB-CD1 4.24Å; M183-F191 HydrophobicContact CB-CD2 4.05Å; M183-F191 HydrophobicContact CB-CE1 3.75Å; M183-F191 HydrophobicContact CB-CE2 3.55Å; M183-F191 HydrophobicContact CB-CG 4.39Å; M183-F191 HydrophobicContact CB-CZ 3.38Å; M183-F191 HydrophobicContact CE-CE2 4.26Å; M183-F191 HydrophobicContact CE-CZ 3.96Å; M183-F191 HydrophobicContact CG-CE2 4.17Å; M183-F191 HydrophobicContact CG-CZ 4.27Å; M183-F191 PolarHBondContact N-O 2.78Å; M183-F191 PolarHBondContact O-N 3.17Å; M183-F191 VanDerWaalsContact O-O 3.12Å; M183-F191 HydrophobicContact SD-CE2 3.77Å; M183-F191 HydrophobicContact SD-CZ 4.05Å; D185-F191 HydrophobicContact CB-CD1 4.42Å; D185-F191 HydrophobicContact CB-CE1 4.01Å; F191-A193 HydrophobicContact CE2-CB 4.49Å; F191-Q229 HydrophobicContact CD2-CB 4.01Å; F191-Q229 HydrophobicContact CE2-CB 4.47Å; F191-Y230 WeakPolarHBondContact CA-O 3.26Å; F191-L278 HydrophobicContact CE2-CD1 4.14Å; F191-L278 HydrophobicContact CZ-CD1 3.94Å |
| 192 | V | 90.8 | Very high | 87.5 | Confident | 24 Ų | 24 | 63 Ų | 63 | 15% | 0.145 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 122.7 | 174.8 | 178.3 | 0 | 0 | 0 | 0 | 109.1 | R181 Y194 Q229 Y230 W232 | R181-V192 WeakPolarHBondContact O-CA 3.46Å; V192-Y194 HydrophobicContact CG1-CD2 4.47Å; V192-Y194 HydrophobicContact CG1-CE2 4.18Å; V192-Q229 CarbonylContact O-C 3.33Å; V192-Q229 WeakPolarHBondContact O-CA 3.42Å; V192-Y230 PolarHBondContact N-O 3.19Å; V192-Y230 PolarHBondContact O-N 3.42Å; V192-W232 HydrophobicContact CG2-CB 4.42Å; V192-W232 HydrophobicContact CG2-CG 4.08Å |
| 193 | A | 90 | Very high | 87.2 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 130.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | S180 R181 M183 F191 F226 | S180-A193 WeakPolarHBondContact CA-O 3.39Å; R181-A193 PolarHBondContact N-O 3.5Å; R181-A193 PolarHBondContact O-N 2.89Å; M183-A193 HydrophobicContact CG-CB 4.48Å; M183-A193 HydrophobicContact SD-CB 3.6Å; M183-A193 VanDerWaalsContact SD-CB 3.6Å; F191-A193 HydrophobicContact CE2-CB 4.49Å; A193-F226 HydrophobicContact CB-CD2 4Å; A193-F226 HydrophobicContact CB-CE2 3.78Å |
| 194 | Y | 90.9 | Very high | 87.1 | Confident | 68 Ų | 68 | 68.4 Ų | 68.4 | 27% | 0.267 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 119.4 | 169.5 | -77.4 | -93.3 | 0 | 0 | 0 | 109.5 | V192 A227 R228 Y230 L266 | V192-Y194 HydrophobicContact CG1-CD2 4.47Å; V192-Y194 HydrophobicContact CG1-CE2 4.18Å; Y194-A227 PolarHBondContact O-N 2.96Å; Y194-R228 PolarHBondContact N-O 2.97Å; Y194-R228 PolarHBondContact O-N 2.87Å; Y194-Y230 AromaticContact CD2-CD2 3.43Å; Y194-Y230 HydrophobicContact CD2-CD2 3.43Å; Y194-Y230 VanDerWaalsContact CD2-CD2 3.43Å; Y194-Y230 AromaticContact CD2-CE2 3.54Å; Y194-Y230 HydrophobicContact CD2-CE2 3.54Å; Y194-Y230 AromaticContact CE2-CD2 3.45Å; Y194-Y230 HydrophobicContact CE2-CD2 3.45Å; Y194-Y230 VanDerWaalsContact CE2-CD2 3.45Å; Y194-Y230 AromaticContact CE2-CE2 3.72Å; Y194-Y230 HydrophobicContact CE2-CE2 3.72Å; Y194-Y230 HydrophobicContact CE2-CG 4.33Å; Y194-Y230 HydrophobicContact CG-CE2 4.48Å; Y194-L266 HydrophobicContact CE2-CD1 4.24Å; Y194-L266 VanDerWaalsContact OH-CD1 3.26Å; Y194-L266 WeakPolarHBondContact OH-CD1 3.33Å |
| 195 | L | 92.2 | Very high | 86.9 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 121.5 | 176.7 | -68.4 | 155.3 | 0 | 0 | 0 | 108.3 | S178 I179 R181 Y224 E225 F226 L281 V283 | S178-L195 WeakPolarHBondContact CA-O 3.44Å; I179-L195 HydrophobicContact CB-CB 4.32Å; I179-L195 HydrophobicContact CG2-CD1 4.46Å; I179-L195 PolarHBondContact N-O 3.11Å; I179-L195 PolarHBondContact O-N 2.96Å; R181-L195 HydrophobicContact CB-CD1 4.46Å; L195-Y224 HydrophobicContact CB-CD1 4.22Å; L195-E225 CarbonylContact C-O 3.48Å; L195-E225 WeakPolarHBondContact CA-O 3.48Å; L195-F226 HydrophobicContact CD2-CB 4.26Å; L195-L281 HydrophobicContact CD2-CD2 4.44Å; L195-V283 HydrophobicContact CD1-CG2 4.14Å; L195-V283 HydrophobicContact CD2-CG2 3.95Å |
| 196 | L | 92 | Very high | 86.8 | Confident | 60 Ų | 60 | 67.8 Ų | 67.8 | 31% | 0.314 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 141.5 | 176.1 | -67.3 | 179.6 | 0 | 0 | 0 | 109.8 | S198 Y224 E225 A227 | L196-S198 PolarHBondContact O-N 3.26Å; L196-Y224 CarbonylContact O-C 3.58Å; L196-Y224 WeakPolarHBondContact O-CA 3.4Å; L196-E225 PolarHBondContact N-O 2.97Å; L196-E225 PolarHBondContact O-N 2.95Å; L196-A227 HydrophobicContact CB-CB 4.23Å; L196-A227 HydrophobicContact CD1-CB 3.51Å; L196-A227 HydrophobicContact CG-CB 3.56Å |
| 197 | P | 90.7 | Very high | 86.5 | Confident | 9 Ų | 9 | 62.3 Ų | 62.3 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 138.4 | 173.4 | 28.2 | -34.4 | 0 | 0 | 0 | 110 | A201 L202 I205 D223 Y224 | P197-A201 HydrophobicContact CB-CB 3.97Å; P197-L202 HydrophobicContact CG-CB 4.27Å; P197-L202 HydrophobicContact CG-CD1 3.68Å; P197-I205 HydrophobicContact CB-CD1 3.97Å; P197-I205 HydrophobicContact CG-CD1 4.3Å; P197-D223 WeakPolarHBondContact CA-O 3.17Å; P197-Y224 HydrophobicContact CB-CD1 4.22Å; P197-Y224 HydrophobicContact CB-CE1 3.9Å; P197-Y224 HydrophobicContact CB-CE2 4.34Å; P197-Y224 HydrophobicContact CG-CE1 4.2Å |
| 198 | S | 89.9 | Confident | 85.8 | Confident | 16 Ų | 16 | 58.5 Ų | 58.5 | 11% | 0.112 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 156.2 | 171.4 | -56.9 | 0 | 0 | 0 | 0 | 110.3 | L196 D200 A201 L202 D223 E225 | L196-S198 PolarHBondContact O-N 3.26Å; S198-D200 VanDerWaalsContact C-N 3.25Å; S198-D200 PolarHBondContact O-N 2.89Å; S198-D200 VanDerWaalsContact O-N 3.12Å; S198-A201 CarbonylContact O-C 3.55Å; S198-A201 WeakPolarHBondContact O-CA 3.3Å; S198-A201 WeakPolarHBondContact O-CB 3.44Å; S198-A201 PolarHBondContact O-N 2.89Å; S198-L202 PolarHBondContact O-N 3.14Å; S198-D223 PolarHBondContact N-O 3.18Å; S198-D223 PolarHBondContact OG-O 2.95Å; S198-E225 VanDerWaalsContact OG-CD 3.29Å; S198-E225 PolarHBondContact OG-OE1 2.86Å |
| 199 | N | 88.4 | Confident | 85 | Confident | 116 Ų | 116 | 55.9 Ų | 55.9 | 62% | 0.62 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -53.1 | -39.3 | -176.2 | -81.5 | -51.8 | 0 | 0 | 0 | 113.8 | L202 Q203 | N199-L202 PolarHBondContact O-N 2.84Å; N199-Q203 WeakPolarHBondContact O-CG 3.48Å; N199-Q203 PolarHBondContact O-N 3.48Å |
| 200 | D | 88.2 | Confident | 83.4 | Confident | 90 Ų | 90 | 58.4 Ų | 58.4 | 48% | 0.481 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.9 | -45.1 | 174.9 | 175.4 | 68.5 | 0 | 0 | 0 | 112.3 | S198 L202 Q203 R204 | S198-D200 VanDerWaalsContact C-N 3.25Å; S198-D200 PolarHBondContact O-N 2.89Å; S198-D200 VanDerWaalsContact O-N 3.12Å; D200-L202 VanDerWaalsContact C-N 3.32Å; D200-L202 PolarHBondContact O-N 2.87Å; D200-Q203 PolarHBondContact O-N 2.94Å; D200-R204 WeakPolarHBondContact O-CG 3.37Å; D200-R204 PolarHBondContact O-N 3.28Å; D200-R204 IonicContact OD2-CZ 3.34Å; D200-R204 IonicContact OD2-NE 2.66Å; D200-R204 PolarHBondContact OD2-NE 3.4Å; D200-R204 IonicContact OD2-NH2 3.5Å; D200-R204 PolarHBondContact OD2-NH2 2.79Å |
| 201 | A | 87.5 | Confident | 81.4 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.008 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | P197 S198 Q203 R204 I205 F222 D223 | P197-A201 HydrophobicContact CB-CB 3.97Å; S198-A201 CarbonylContact O-C 3.55Å; S198-A201 WeakPolarHBondContact O-CA 3.3Å; S198-A201 WeakPolarHBondContact O-CB 3.44Å; S198-A201 PolarHBondContact O-N 2.89Å; A201-Q203 PolarHBondContact O-N 2.83Å; A201-R204 PolarHBondContact O-N 3.41Å; A201-I205 WeakPolarHBondContact O-CG1 3.33Å; A201-I205 PolarHBondContact O-N 3.45Å; A201-F222 HydrophobicContact CB-CB 4.15Å; A201-F222 HydrophobicContact CB-CD1 4.02Å; A201-D223 WeakPolarHBondContact CB-O 3.39Å |
| 202 | L | 86.2 | Confident | 79.3 | Confident | 9 Ų | 9 | 70.3 Ų | 70.3 | 5% | 0.047 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 177 | -170.7 | 73.6 | 0 | 0 | 0 | 111.9 | Y170 F173 L174 P197 S198 N199 D200 I205 K206 | Y170-L202 HydrophobicContact CE2-CD2 3.71Å; F173-L202 HydrophobicContact CD1-CD1 3.68Å; F173-L202 HydrophobicContact CD1-CG 4.31Å; F173-L202 HydrophobicContact CE1-CD1 3.45Å; F173-L202 VanDerWaalsContact CE1-CD1 3.45Å; F173-L202 HydrophobicContact CE1-CG 3.95Å; L174-L202 HydrophobicContact CD2-CD1 3.74Å; L174-L202 HydrophobicContact CD2-CD2 3.64Å; L174-L202 HydrophobicContact CD2-CG 4.35Å; P197-L202 HydrophobicContact CG-CB 4.27Å; P197-L202 HydrophobicContact CG-CD1 3.68Å; S198-L202 PolarHBondContact O-N 3.14Å; N199-L202 PolarHBondContact O-N 2.84Å; D200-L202 VanDerWaalsContact C-N 3.32Å; D200-L202 PolarHBondContact O-N 2.87Å; L202-I205 PolarHBondContact O-N 3.46Å; L202-K206 VanDerWaalsContact O-CB 3.28Å; L202-K206 WeakPolarHBondContact O-CB 3.48Å; L202-K206 PolarHBondContact O-N 3.12Å |
| 203 | Q | 84.2 | Confident | 77.1 | Confident | 135 Ų | 135 | 74.7 Ų | 74.7 | 63% | 0.631 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.5 | -43 | 175.5 | -73.7 | 179.6 | 14.8 | 0 | 0 | 111.7 | N199 D200 A201 K206 A207 | N199-Q203 WeakPolarHBondContact O-CG 3.48Å; N199-Q203 PolarHBondContact O-N 3.48Å; D200-Q203 PolarHBondContact O-N 2.94Å; A201-Q203 PolarHBondContact O-N 2.83Å; Q203-K206 PolarHBondContact O-N 2.85Å; Q203-A207 WeakPolarHBondContact O-CB 3.46Å; Q203-A207 PolarHBondContact O-N 3.32Å |
| 204 | R | 83.1 | Confident | 75 | Confident | 87 Ų | 87 | 85 Ų | 85 | 33% | 0.328 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 175.2 | -71.8 | -172.8 | -80 | 152.6 | -4.5 | 112.2 | D200 A201 G208 R221 F222 | D200-R204 WeakPolarHBondContact O-CG 3.37Å; D200-R204 PolarHBondContact O-N 3.28Å; D200-R204 IonicContact OD2-CZ 3.34Å; D200-R204 IonicContact OD2-NE 2.66Å; D200-R204 PolarHBondContact OD2-NE 3.4Å; D200-R204 IonicContact OD2-NH2 3.5Å; D200-R204 PolarHBondContact OD2-NH2 2.79Å; A201-R204 PolarHBondContact O-N 3.41Å; R204-G208 PolarHBondContact O-N 3.47Å; R204-R221 PolarHBondContact NH1-O 3.05Å; R204-F222 HydrophobicContact CB-CE1 3.84Å |
| 205 | I | 81.3 | Confident | 72.8 | Confident | 28 Ų | 28 | 87.3 Ų | 87.3 | 14% | 0.144 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 175.1 | -63.2 | 163.5 | 0 | 0 | 0 | 109.8 | F173 P197 A201 L202 G208 S209 F222 | F173-I205 HydrophobicContact CE2-CG2 4.37Å; F173-I205 HydrophobicContact CZ-CB 4.24Å; F173-I205 HydrophobicContact CZ-CG2 3.73Å; P197-I205 HydrophobicContact CB-CD1 3.97Å; P197-I205 HydrophobicContact CG-CD1 4.3Å; A201-I205 WeakPolarHBondContact O-CG1 3.33Å; A201-I205 PolarHBondContact O-N 3.45Å; L202-I205 PolarHBondContact O-N 3.46Å; I205-G208 CarbonylContact O-C 3.56Å; I205-G208 PolarHBondContact O-N 3.43Å; I205-S209 WeakPolarHBondContact O-CB 3.29Å; I205-S209 PolarHBondContact O-N 3.43Å; I205-F222 HydrophobicContact CD1-CD1 4.14Å; I205-F222 HydrophobicContact CD1-CE1 4.49Å; I205-F222 HydrophobicContact CG1-CD1 3.8Å; I205-F222 HydrophobicContact CG1-CE1 3.65Å; I205-F222 HydrophobicContact CG1-CZ 4.33Å |
| 206 | K | 80.6 | Confident | 71 | Confident | 117 Ų | 117 | 93.1 Ų | 93.1 | 51% | 0.509 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 179.8 | -170.2 | 177.8 | -179.6 | -178.5 | 0 | 112.1 | F173 L202 Q203 G208 S209 L210 | F173-K206 HydrophobicContact CE1-CB 3.81Å; F173-K206 HydrophobicContact CE1-CG 4.32Å; F173-K206 VanDerWaalsContact CZ-CA 3.48Å; F173-K206 HydrophobicContact CZ-CB 3.73Å; F173-K206 HydrophobicContact CZ-CG 4.27Å; L202-K206 VanDerWaalsContact O-CB 3.28Å; L202-K206 WeakPolarHBondContact O-CB 3.48Å; L202-K206 PolarHBondContact O-N 3.12Å; Q203-K206 PolarHBondContact O-N 2.85Å; K206-G208 VanDerWaalsContact C-N 3.27Å; K206-G208 PolarHBondContact O-N 3.24Å; K206-S209 PolarHBondContact O-N 3.17Å; K206-L210 PolarHBondContact O-N 3.05Å |
| 207 | A | 79 | Confident | 69.1 | Low | 74 Ų | 74 | 92.2 Ų | 92.2 | 61% | 0.612 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.9 | -35.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q203 | Q203-A207 WeakPolarHBondContact O-CB 3.46Å; Q203-A207 PolarHBondContact O-N 3.32Å |
| 208 | G | 70.7 | Confident | 67.4 | Low | 40 Ų | 40 | 101.2 Ų | 101.2 | 41% | 0.412 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71.5 | -46.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | R204 I205 K206 L210 R211 | R204-G208 PolarHBondContact O-N 3.47Å; I205-G208 CarbonylContact O-C 3.56Å; I205-G208 PolarHBondContact O-N 3.43Å; K206-G208 VanDerWaalsContact C-N 3.27Å; K206-G208 PolarHBondContact O-N 3.24Å; G208-L210 PolarHBondContact O-N 2.86Å; G208-R211 CarbonylContact O-C 3.43Å; G208-R211 WeakPolarHBondContact O-CA 3.4Å; G208-R211 WeakPolarHBondContact O-CB 3.34Å; G208-R211 PolarHBondContact O-N 2.85Å |
| 209 | S | 62.5 | Low | 66 | Low | 74 Ų | 74 | 107.6 Ų | 107.6 | 52% | 0.517 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.9 | -22.7 | -172.8 | -173.5 | 0 | 0 | 0 | 0 | 114.3 | I205 K206 R211 | I205-S209 WeakPolarHBondContact O-CB 3.29Å; I205-S209 PolarHBondContact O-N 3.43Å; K206-S209 PolarHBondContact O-N 3.17Å; S209-R211 PolarHBondContact O-N 2.9Å |
| 210 | L | 49.1 | Very low | 65.3 | Low | 162 Ų | 162 | 107.4 Ų | 107.4 | 85% | 0.848 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -23.5 | 173.7 | -150.9 | 81.1 | 0 | 0 | 0 | 111.8 | K206 G208 | K206-L210 PolarHBondContact O-N 3.05Å; G208-L210 PolarHBondContact O-N 2.86Å |
| 211 | R | 45.7 | Very low | 65.2 | Low | 182 Ų | 182 | 110.1 Ų | 110.1 | 69% | 0.687 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -94.3 | 108.7 | 167.4 | -85.1 | 177.3 | 154.1 | 164.9 | -7.4 | 107.2 | G208 S209 E213 | G208-R211 CarbonylContact O-C 3.43Å; G208-R211 WeakPolarHBondContact O-CA 3.4Å; G208-R211 WeakPolarHBondContact O-CB 3.34Å; G208-R211 PolarHBondContact O-N 2.85Å; S209-R211 PolarHBondContact O-N 2.9Å; R211-E213 PolarHBondContact O-N 2.73Å |
| 212 | M | 42.4 | Very low | 65.2 | Low | 179 Ų | 179 | 110.9 Ų | 110.9 | 88% | 0.882 | 54% | 0.536 | S | S | * | . | trans | -60.6 | 39 | 169.3 | -79.8 | -79.1 | -69.8 | 0 | 0 | 113.1 | ||||
| 213 | E | 43.8 | Very low | 65.4 | Low | 115 Ų | 115 | 113.6 Ų | 113.6 | 54% | 0.537 | 55% | 0.55 | S | S | . | * | trans | -107.7 | 120 | 178.1 | -74.7 | 178.1 | -166.4 | 0 | 0 | 107.8 | R211 N215 | R211-E213 PolarHBondContact O-N 2.73Å; E213-N215 HydrophobicContact CB-CB 4.36Å; E213-N215 PolarHBondContact O-N 2.91Å; E213-N215 PolarHBondContact OE2-ND2 3.37Å | ||
| 214 | Y | 46.6 | Very low | 65.8 | Low | 216 Ų | 216 | 107.3 Ų | 107.3 | 85% | 0.847 | 52% | 0.521 | S | S | * | . | trans | -57.1 | 25.8 | 164.7 | -78.5 | -96.1 | 0 | 0 | 0 | 113.8 | K216 | Y214-K216 VanDerWaalsContact C-N 3.26Å; Y214-K216 PolarHBondContact O-N 3.34Å | ||
| 215 | N | 45.1 | Very low | 66.2 | Low | 117 Ų | 117 | 106.9 Ų | 106.9 | 63% | 0.626 | 52% | 0.523 | S | S | * | . | trans | -91.4 | 65.7 | 170.3 | -72 | -34.7 | 0 | 0 | 0 | 108.9 | E213 S217 | E213-N215 HydrophobicContact CB-CB 4.36Å; E213-N215 PolarHBondContact O-N 2.91Å; E213-N215 PolarHBondContact OE2-ND2 3.37Å; N215-S217 PolarHBondContact O-N 2.97Å | ||
| 216 | K | 53.6 | Low | 66.6 | Low | 128 Ų | 128 | 106.6 Ų | 106.6 | 56% | 0.557 | 52% | 0.52 | S | S | * | . | trans | -58.8 | 78.8 | 139.7 | -88.5 | 155.5 | 161.9 | -164.9 | 0 | 105.5 | Y214 K218 F287 | Y214-K216 VanDerWaalsContact C-N 3.26Å; Y214-K216 PolarHBondContact O-N 3.34Å; K216-K218 PolarHBondContact O-N 2.87Å; K216-F287 HydrophobicContact CB-CB 3.83Å; K216-F287 HydrophobicContact CD-CB 3.39Å; K216-F287 HydrophobicContact CD-CD1 4.05Å; K216-F287 HydrophobicContact CD-CD2 3.93Å; K216-F287 HydrophobicContact CD-CG 3.54Å; K216-F287 VanDerWaalsContact CE-CD2 3.43Å; K216-F287 HydrophobicContact CG-CB 3.63Å; K216-F287 HydrophobicContact CG-CD2 3.82Å; K216-F287 HydrophobicContact CG-CG 3.87Å | ||
| 217 | S | 52.9 | Low | 67 | Low | 41 Ų | 41 | 102.9 Ų | 102.9 | 29% | 0.287 | 51% | 0.511 | S | S | . | . | trans | -48.3 | 117.8 | -174.9 | 42.6 | 0 | 0 | 0 | 0 | 107.5 | N215 N219 K220 | N215-S217 PolarHBondContact O-N 2.97Å; S217-N219 PolarHBondContact O-N 2.86Å; S217-K220 PolarHBondContact O-N 3.28Å; S217-K220 VanDerWaalsContact O-N 3.12Å; S217-K220 WeakPolarHBondContact OG-CD 3.2Å; S217-K220 WeakPolarHBondContact OG-CE 3.38Å; S217-K220 WeakPolarHBondContact OG-CG 3.33Å; S217-K220 PolarHBondContact OG-NZ 2.93Å | ||
| 218 | K | 55.5 | Low | 67.5 | Low | 198 Ų | 198 | 105.8 Ų | 105.8 | 86% | 0.861 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -39.9 | 123.7 | -179.8 | -67.8 | 178.6 | 176.7 | -179.1 | 0 | 108.3 | K216 | K216-K218 PolarHBondContact O-N 2.87Š|
| 219 | N | 59.1 | Low | 68.3 | Low | 150 Ų | 150 | 104.4 Ų | 104.4 | 80% | 0.802 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 15.8 | 179.7 | -69.4 | -5.5 | 0 | 0 | 0 | 120.2 | S217 R221 | S217-N219 PolarHBondContact O-N 2.86Å; N219-R221 PolarHBondContact O-N 2.84Å |
| 220 | K | 75 | Confident | 69.7 | Low | 112 Ų | 112 | 102.8 Ų | 102.8 | 49% | 0.487 | 47% | 0.472 | S | S | . | . | trans | -79.2 | 120 | 164.8 | -73.1 | -171.1 | -171.5 | 152.2 | 0 | 111.5 | S217 F222 | S217-K220 PolarHBondContact O-N 3.28Å; S217-K220 VanDerWaalsContact O-N 3.12Å; S217-K220 WeakPolarHBondContact OG-CD 3.2Å; S217-K220 WeakPolarHBondContact OG-CE 3.38Å; S217-K220 WeakPolarHBondContact OG-CG 3.33Å; S217-K220 PolarHBondContact OG-NZ 2.93Å; K220-F222 HydrophobicContact CB-CE2 3.94Å; K220-F222 HydrophobicContact CB-CZ 4.19Å | ||
| 221 | R | 84.6 | Confident | 71.6 | Confident | 148 Ų | 148 | 97.3 Ų | 97.3 | 56% | 0.558 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 131.1 | 171.8 | -68.5 | 172.9 | 179.5 | -175 | -1.2 | 109.5 | R204 N219 M284 T286 | R204-R221 PolarHBondContact NH1-O 3.05Å; N219-R221 PolarHBondContact O-N 2.84Å; R221-M284 HydrophobicContact CB-SD 4.21Å; R221-T286 HydrophobicContact CB-CG2 4.29Å; R221-T286 HydrophobicContact CG-CG2 3.4Å; R221-T286 VanDerWaalsContact CG-CG2 3.4Å |
| 222 | F | 87.6 | Confident | 73.5 | Confident | 17 Ų | 17 | 92.7 Ų | 92.7 | 8% | 0.075 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 130 | 174.8 | -64.7 | -85.8 | 0 | 0 | 0 | 108.7 | A201 R204 I205 K220 Y224 V285 F287 | A201-F222 HydrophobicContact CB-CB 4.15Å; A201-F222 HydrophobicContact CB-CD1 4.02Å; R204-F222 HydrophobicContact CB-CE1 3.84Å; I205-F222 HydrophobicContact CD1-CD1 4.14Å; I205-F222 HydrophobicContact CD1-CE1 4.49Å; I205-F222 HydrophobicContact CG1-CD1 3.8Å; I205-F222 HydrophobicContact CG1-CE1 3.65Å; I205-F222 HydrophobicContact CG1-CZ 4.33Å; K220-F222 HydrophobicContact CB-CE2 3.94Å; K220-F222 HydrophobicContact CB-CZ 4.19Å; F222-Y224 HydrophobicContact CB-CD2 4.17Å; F222-Y224 HydrophobicContact CB-CE2 3.73Å; F222-V285 PolarHBondContact N-O 2.95Å; F222-V285 PolarHBondContact O-N 2.67Å; F222-F287 AromaticContact CD2-CD2 3.74Å; F222-F287 HydrophobicContact CD2-CD2 3.74Å; F222-F287 AromaticContact CD2-CE2 3.58Å; F222-F287 HydrophobicContact CD2-CE2 3.58Å; F222-F287 AromaticContact CE2-CD2 3.7Å; F222-F287 HydrophobicContact CE2-CD2 3.7Å; F222-F287 AromaticContact CE2-CE2 3.79Å; F222-F287 HydrophobicContact CE2-CE2 3.79Å; F222-F287 HydrophobicContact CG-CE2 4.34Å |
| 223 | D | 91.2 | Very high | 75.5 | Confident | 65 Ų | 65 | 88.6 Ų | 88.6 | 35% | 0.348 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 128 | 177.9 | -58.4 | -28.9 | 0 | 0 | 0 | 108.9 | P197 S198 A201 M284 | P197-D223 WeakPolarHBondContact CA-O 3.17Å; S198-D223 PolarHBondContact N-O 3.18Å; S198-D223 PolarHBondContact OG-O 2.95Å; A201-D223 WeakPolarHBondContact CB-O 3.39Å; D223-M284 WeakPolarHBondContact OD1-CG 3.16Å |
| 224 | Y | 92.2 | Very high | 77.3 | Confident | 4 Ų | 4 | 87.6 Ų | 87.6 | 2% | 0.016 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134.8 | 175.2 | -80 | -104.7 | 0 | 0 | 0 | 109.3 | S177 I179 L195 L196 P197 F222 R282 V283 V285 | S177-Y224 VanDerWaalsContact O-CE1 3.23Å; S177-Y224 WeakPolarHBondContact O-CE1 3.41Å; S177-Y224 PolarHBondContact O-OH 2.86Å; I179-Y224 HydrophobicContact CB-CE1 4.48Å; I179-Y224 HydrophobicContact CD1-CD1 3.88Å; I179-Y224 HydrophobicContact CD1-CD2 4.26Å; I179-Y224 HydrophobicContact CD1-CE1 3.57Å; I179-Y224 HydrophobicContact CD1-CE2 3.99Å; I179-Y224 HydrophobicContact CD1-CG 4.22Å; I179-Y224 HydrophobicContact CG1-CD1 4.26Å; I179-Y224 HydrophobicContact CG1-CE1 3.78Å; L195-Y224 HydrophobicContact CB-CD1 4.22Å; L196-Y224 CarbonylContact O-C 3.58Å; L196-Y224 WeakPolarHBondContact O-CA 3.4Å; P197-Y224 HydrophobicContact CB-CD1 4.22Å; P197-Y224 HydrophobicContact CB-CE1 3.9Å; P197-Y224 HydrophobicContact CB-CE2 4.34Å; P197-Y224 HydrophobicContact CG-CE1 4.2Å; F222-Y224 HydrophobicContact CB-CD2 4.17Å; F222-Y224 HydrophobicContact CB-CE2 3.73Å; Y224-R282 CarbonylContact O-C 3.58Å; Y224-R282 VanDerWaalsContact O-CA 3.3Å; Y224-R282 WeakPolarHBondContact O-CA 2.91Å; Y224-V283 WeakPolarHBondContact CB-O 3.27Å; Y224-V283 PolarHBondContact N-O 3.44Å; Y224-V283 PolarHBondContact O-N 2.86Å; Y224-V285 HydrophobicContact CD2-CB 3.78Å; Y224-V285 HydrophobicContact CD2-CG2 3.54Å; Y224-V285 HydrophobicContact CE2-CB 3.85Å; Y224-V285 HydrophobicContact CE2-CG1 4.43Å; Y224-V285 HydrophobicContact CE2-CG2 4Å; Y224-V285 HydrophobicContact CG-CG2 4.08Å |
| 225 | E | 91.4 | Very high | 79.1 | Confident | 78 Ų | 78 | 82.4 Ų | 82.4 | 36% | 0.364 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 139.9 | -179.9 | -72.9 | 168.6 | -156.3 | 0 | 0 | 109.7 | L195 L196 S198 A227 R282 | L195-E225 CarbonylContact C-O 3.48Å; L195-E225 WeakPolarHBondContact CA-O 3.48Å; L196-E225 PolarHBondContact N-O 2.97Å; L196-E225 PolarHBondContact O-N 2.95Å; S198-E225 VanDerWaalsContact OG-CD 3.29Å; S198-E225 PolarHBondContact OG-OE1 2.86Å; E225-A227 PolarHBondContact O-N 2.81Å; E225-R282 HydrophobicContact CG-CG 4.05Å; E225-R282 IonicContact OE1-NH2 3.99Å |
| 226 | F | 90.6 | Very high | 80.9 | Confident | 21 Ų | 21 | 79.3 Ų | 79.3 | 9% | 0.092 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 122.6 | 172.6 | 174.8 | -92.4 | 0 | 0 | 0 | 110.5 | A193 L195 R228 Q229 L278 L281 | A193-F226 HydrophobicContact CB-CD2 4Å; A193-F226 HydrophobicContact CB-CE2 3.78Å; L195-F226 HydrophobicContact CD2-CB 4.26Å; F226-R228 WeakPolarHBondContact CE2-O 3.23Å; F226-R228 VanDerWaalsContact CZ-C 3.5Å; F226-Q229 HydrophobicContact CE2-CB 4.04Å; F226-Q229 HydrophobicContact CZ-CB 3.74Å; F226-Q229 HydrophobicContact CZ-CG 3.97Å; F226-L278 WeakPolarHBondContact CB-O 3.41Å; F226-L278 VanDerWaalsContact CD1-O 3.23Å; F226-L278 WeakPolarHBondContact CD1-O 3.23Å; F226-L278 HydrophobicContact CE1-CB 4.39Å; F226-L278 VanDerWaalsContact CG-O 3.3Å; F226-L278 WeakPolarHBondContact CG-O 3.43Å; F226-L278 HydrophobicContact CZ-CB 4.35Å; F226-L281 HydrophobicContact CB-CB 3.93Å; F226-L281 HydrophobicContact CB-CD2 4.49Å; F226-L281 WeakPolarHBondContact CB-O 3.45Å; F226-L281 HydrophobicContact CD2-CD2 4.44Å; F226-L281 PolarHBondContact N-O 3.41Å |
| 227 | A | 88.7 | Confident | 82.3 | Confident | 39 Ų | 39 | 77.3 Ų | 77.3 | 32% | 0.322 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | -47.5 | -180 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y194 L196 E225 | Y194-A227 PolarHBondContact O-N 2.96Å; L196-A227 HydrophobicContact CB-CB 4.23Å; L196-A227 HydrophobicContact CD1-CB 3.51Å; L196-A227 HydrophobicContact CG-CB 3.56Å; E225-A227 PolarHBondContact O-N 2.81Å |
| 228 | R | 88.5 | Confident | 83.6 | Confident | 135 Ų | 135 | 80 Ų | 80 | 51% | 0.509 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 154.9 | -171.7 | -62.6 | -173.2 | -179.2 | 174 | 1.5 | 111.8 | Y194 F226 Y230 | Y194-R228 PolarHBondContact N-O 2.97Å; Y194-R228 PolarHBondContact O-N 2.87Å; F226-R228 WeakPolarHBondContact CE2-O 3.23Å; F226-R228 VanDerWaalsContact CZ-C 3.5Å; R228-Y230 HydrophobicContact CB-CD2 4.33Å; R228-Y230 HydrophobicContact CB-CE2 3.58Å; R228-Y230 VanDerWaalsContact CD-OH 3.26Å; R228-Y230 WeakPolarHBondContact CD-OH 3.43Å; R228-Y230 HydrophobicContact CG-CE2 4.47Å |
| 229 | Q | 89.2 | Confident | 84.8 | Confident | 11 Ų | 11 | 72.4 Ų | 72.4 | 5% | 0.051 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 147.9 | 167.4 | 57.3 | 179 | 78.9 | 0 | 0 | 111.2 | F191 V192 F226 C269 N275 | F191-Q229 HydrophobicContact CD2-CB 4.01Å; F191-Q229 HydrophobicContact CE2-CB 4.47Å; V192-Q229 CarbonylContact O-C 3.33Å; V192-Q229 WeakPolarHBondContact O-CA 3.42Å; F226-Q229 HydrophobicContact CE2-CB 4.04Å; F226-Q229 HydrophobicContact CZ-CB 3.74Å; F226-Q229 HydrophobicContact CZ-CG 3.97Å; Q229-C269 HydrophobicContact CG-CB 4.05Å; Q229-C269 PolarHBondContact O-N 3.02Å; Q229-N275 PolarHBondContact NE2-ND2 3.04Å; Q229-N275 VanDerWaalsContact NE2-ND2 3.14Å |
| 230 | Y | 90.7 | Very high | 85.6 | Confident | 40 Ų | 40 | 72.7 Ų | 72.7 | 16% | 0.157 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 134.4 | 177.3 | -64.2 | -98.9 | 0 | 0 | 0 | 109.8 | F191 V192 Y194 R228 L266 N267 R268 | F191-Y230 WeakPolarHBondContact CA-O 3.26Å; V192-Y230 PolarHBondContact N-O 3.19Å; V192-Y230 PolarHBondContact O-N 3.42Å; Y194-Y230 AromaticContact CD2-CD2 3.43Å; Y194-Y230 HydrophobicContact CD2-CD2 3.43Å; Y194-Y230 VanDerWaalsContact CD2-CD2 3.43Å; Y194-Y230 AromaticContact CD2-CE2 3.54Å; Y194-Y230 HydrophobicContact CD2-CE2 3.54Å; Y194-Y230 AromaticContact CE2-CD2 3.45Å; Y194-Y230 HydrophobicContact CE2-CD2 3.45Å; Y194-Y230 VanDerWaalsContact CE2-CD2 3.45Å; Y194-Y230 AromaticContact CE2-CE2 3.72Å; Y194-Y230 HydrophobicContact CE2-CE2 3.72Å; Y194-Y230 HydrophobicContact CE2-CG 4.33Å; Y194-Y230 HydrophobicContact CG-CE2 4.48Å; R228-Y230 HydrophobicContact CB-CD2 4.33Å; R228-Y230 HydrophobicContact CB-CE2 3.58Å; R228-Y230 VanDerWaalsContact CD-OH 3.26Å; R228-Y230 WeakPolarHBondContact CD-OH 3.43Å; R228-Y230 HydrophobicContact CG-CE2 4.47Å; Y230-L266 HydrophobicContact CD1-CB 3.88Å; Y230-L266 HydrophobicContact CG-CB 4.21Å; Y230-N267 CarbonylContact C-O 3.58Å; Y230-N267 VanDerWaalsContact CA-O 3.29Å; Y230-N267 WeakPolarHBondContact CA-O 3.46Å; Y230-R268 VanDerWaalsContact CD1-CA 3.48Å; Y230-R268 HydrophobicContact CD1-CB 3.91Å; Y230-R268 HydrophobicContact CD1-CG 4.45Å; Y230-R268 HydrophobicContact CE1-CB 3.64Å; Y230-R268 HydrophobicContact CE1-CG 3.99Å |
| 231 | N | 88.7 | Confident | 85.7 | Confident | 48 Ų | 48 | 71.9 Ų | 71.9 | 26% | 0.257 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 142.6 | 159.6 | -70.3 | -3.2 | 0 | 0 | 0 | 107.4 | L266 N267 C269 | N231-L266 WeakPolarHBondContact O-CA 3.49Å; N231-N267 PolarHBondContact N-O 3.17Å; N231-N267 PolarHBondContact O-N 2.71Å; N231-C269 PolarHBondContact N-SG 3.12Å; N231-C269 PolarHBondContact ND2-SG 2.73Å; N231-C269 PolarHBondContact OD1-SG 3.22Å |
| 232 | W | 87.1 | Confident | 85.3 | Confident | 84 Ų | 84 | 67 Ų | 67 | 32% | 0.318 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 139 | -178.3 | 65.3 | -77.5 | 0 | 0 | 0 | 109.6 | V192 L234 V264 R265 L266 | V192-W232 HydrophobicContact CG2-CB 4.42Å; V192-W232 HydrophobicContact CG2-CG 4.08Å; W232-L234 HydrophobicContact CE3-CB 4.34Å; W232-L234 HydrophobicContact CZ3-CB 3.9Å; W232-V264 HydrophobicContact CB-CG1 4.07Å; W232-R265 WeakPolarHBondContact CA-O 3.36Å; W232-L266 HydrophobicContact CB-CD2 3.71Å |
| 233 | H | 82.8 | Confident | 85 | Confident | 93 Ų | 93 | 73.7 Ų | 73.7 | 43% | 0.431 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 122.5 | 173.4 | -59.2 | -69.4 | 0 | 0 | 0 | 108.1 | R265 N267 | H233-R265 PolarHBondContact N-O 3.46Å; H233-R265 PolarHBondContact O-N 3.24Å; H233-N267 PolarHBondContact CD2-ND2 3.2Å; H233-N267 VanDerWaalsContact CD2-ND2 3.28Å; H233-N267 PolarHBondContact NE2-ND2 3.27Å |
| 234 | L | 83 | Confident | 84.4 | Confident | 94 Ų | 94 | 72.8 Ų | 72.8 | 49% | 0.492 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 127.6 | 173.9 | -166.2 | 63.2 | 0 | 0 | 0 | 109.4 | W232 T262 V264 | W232-L234 HydrophobicContact CE3-CB 4.34Å; W232-L234 HydrophobicContact CZ3-CB 3.9Å; L234-T262 HydrophobicContact CD1-CG2 4.19Å; L234-V264 HydrophobicContact CD1-CG2 3.81Å |
| 235 | R | 83.5 | Confident | 84.1 | Confident | 108 Ų | 108 | 75.7 Ų | 75.7 | 41% | 0.408 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 136.2 | 166.7 | -62.2 | -62.9 | -170.3 | 176.5 | 7.6 | 107.8 | D241 T262 S263 | R235-D241 IonicContact CZ-OD2 3.58Å; R235-D241 IonicContact NH2-OD2 3.46Å; R235-T262 CarbonylContact O-C 3.52Å; R235-T262 VanDerWaalsContact O-CA 3.23Å; R235-T262 WeakPolarHBondContact O-CA 3.48Å; R235-S263 PolarHBondContact N-O 3.37Å; R235-S263 PolarHBondContact O-N 3.1Å |
| 236 | S | 82.9 | Confident | 83.8 | Confident | 51 Ų | 51 | 78.7 Ų | 78.7 | 36% | 0.357 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 161.6 | 176.2 | 175.5 | 0 | 0 | 0 | 0 | 109.3 | A238 C239 Y242 | S236-A238 PolarHBondContact O-N 2.92Å; S236-C239 WeakPolarHBondContact O-CB 3.33Å; S236-C239 PolarHBondContact O-N 3.39Å; S236-Y242 WeakPolarHBondContact O-CD2 3.4Å |
| 237 | K | 83.7 | Confident | 83.5 | Confident | 87 Ų | 87 | 80.3 Ų | 80.3 | 38% | 0.378 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | -24.8 | 170.1 | -84 | 179.3 | 168.6 | 178.1 | 0 | 114.6 | C239 Y242 E259 D261 | K237-C239 VanDerWaalsContact C-N 3.28Å; K237-C239 PolarHBondContact O-N 2.76Å; K237-Y242 WeakPolarHBondContact CE-OH 3.46Å; K237-Y242 HydrophobicContact CG-CD1 4.08Å; K237-Y242 HydrophobicContact CG-CD2 4.28Å; K237-Y242 HydrophobicContact CG-CE1 3.55Å; K237-Y242 HydrophobicContact CG-CE2 3.76Å; K237-Y242 HydrophobicContact CG-CG 4.42Å; K237-E259 WeakPolarHBondContact CE-OE1 3.02Å; K237-E259 WeakPolarHBondContact CE-OE2 3.05Å; K237-E259 IonicContact NZ-OE1 2.67Å; K237-E259 PolarHBondContact NZ-OE1 3.3Å; K237-E259 IonicContact NZ-OE2 3.28Å; K237-E259 PolarHBondContact NZ-OE2 2.91Å; K237-D261 HydrophobicContact CD-CB 3.93Å; K237-D261 WeakPolarHBondContact CD-OD1 3.35Å; K237-D261 WeakPolarHBondContact CE-OD1 3.47Å; K237-D261 HydrophobicContact CG-CB 4.32Å; K237-D261 PolarHBondContact N-O 3.06Å; K237-D261 IonicContact NZ-OD1 3.92Å; K237-D261 PolarHBondContact NZ-OD1 3.12Å |
| 238 | A | 80.2 | Confident | 83.4 | Confident | 96 Ų | 96 | 83.9 Ų | 83.9 | 79% | 0.793 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -10.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S236 | S236-A238 PolarHBondContact O-N 2.92Š|
| 239 | C | 79.4 | Confident | 83.2 | Confident | 40 Ų | 40 | 79.8 Ų | 79.8 | 27% | 0.27 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -79.5 | 137.4 | 177 | -68.3 | 0 | 0 | 0 | 0 | 111.1 | S236 K237 D241 Y242 | S236-C239 WeakPolarHBondContact O-CB 3.33Å; S236-C239 PolarHBondContact O-N 3.39Å; K237-C239 VanDerWaalsContact C-N 3.28Å; K237-C239 PolarHBondContact O-N 2.76Å; C239-D241 WeakPolarHBondContact CB-OD1 3.41Å; C239-D241 PolarHBondContact O-N 3.11Å; C239-Y242 WeakPolarHBondContact O-CB 3.42Å; C239-Y242 PolarHBondContact O-N 3.31Å |
| 240 | T | 77.7 | Confident | 83.1 | Confident | 156 Ų | 156 | 85.1 Ų | 85.1 | 96% | 0.957 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -23 | -179.2 | 51.6 | 0 | 0 | 0 | 0 | 114 | ||
| 241 | D | 76.9 | Confident | 82.8 | Confident | 94 Ų | 94 | 91.2 Ų | 91.2 | 50% | 0.503 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 20 | 177.1 | 67.3 | -24.3 | 0 | 0 | 0 | 113 | R235 C239 E243 | R235-D241 IonicContact CZ-OD2 3.58Å; R235-D241 IonicContact NH2-OD2 3.46Å; C239-D241 WeakPolarHBondContact CB-OD1 3.41Å; C239-D241 PolarHBondContact O-N 3.11Å; D241-E243 PolarHBondContact O-N 3.07Å |
| 242 | Y | 76.2 | Confident | 82.7 | Confident | 46 Ų | 46 | 96.9 Ų | 96.9 | 18% | 0.18 | 50% | 0.501 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 120.3 | 179.7 | 173.9 | -94.1 | 0 | 0 | 0 | 111.5 | S236 K237 C239 A244 E259 L260 | S236-Y242 WeakPolarHBondContact O-CD2 3.4Å; K237-Y242 WeakPolarHBondContact CE-OH 3.46Å; K237-Y242 HydrophobicContact CG-CD1 4.08Å; K237-Y242 HydrophobicContact CG-CD2 4.28Å; K237-Y242 HydrophobicContact CG-CE1 3.55Å; K237-Y242 HydrophobicContact CG-CE2 3.76Å; K237-Y242 HydrophobicContact CG-CG 4.42Å; C239-Y242 WeakPolarHBondContact O-CB 3.42Å; C239-Y242 PolarHBondContact O-N 3.31Å; Y242-A244 HydrophobicContact CE1-CB 4.12Å; Y242-E259 PolarHBondContact OH-OE1 3.13Å; Y242-L260 PolarHBondContact OH-O 3.42Å |
| 243 | E | 79.9 | Confident | 82.6 | Confident | 158 Ų | 158 | 96.7 Ų | 96.7 | 74% | 0.738 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -100.4 | 125.6 | 166.9 | -67.9 | 179.5 | 175 | 0 | 0 | 109.2 | D241 N245 | D241-E243 PolarHBondContact O-N 3.07Å; E243-N245 PolarHBondContact O-N 2.68Å; E243-N245 PolarHBondContact O-ND2 3.5Å |
| 244 | A | 80.3 | Confident | 82.5 | Confident | 45 Ų | 45 | 95.4 Ų | 95.4 | 37% | 0.372 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -59 | 120.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y242 Y246 E259 | Y242-A244 HydrophobicContact CE1-CB 4.12Å; A244-Y246 HydrophobicContact CB-CE2 4.17Å; A244-E259 HydrophobicContact CB-CG 4.37Å |
| 245 | N | 84.2 | Confident | 82.6 | Confident | 65 Ų | 65 | 94.3 Ų | 94.3 | 35% | 0.348 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 143.3 | 174.2 | -78.5 | -80.7 | 0 | 0 | 0 | 109.3 | E243 L260 S263 | E243-N245 PolarHBondContact O-N 2.68Å; E243-N245 PolarHBondContact O-ND2 3.5Å; N245-L260 HydrophobicContact CB-CB 4.41Å; N245-L260 HydrophobicContact CB-CD1 4.44Å; N245-L260 WeakPolarHBondContact O-CB 3.34Å; N245-L260 PolarHBondContact O-N 2.92Å; N245-S263 VanDerWaalsContact ND2-CB 3.33Å; N245-S263 WeakPolarHBondContact ND2-CB 3.47Å; N245-S263 PolarHBondContact ND2-OG 3.19Å |
| 246 | Y | 86.4 | Confident | 82.8 | Confident | 141 Ų | 141 | 95.2 Ų | 95.2 | 55% | 0.553 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118 | 134.2 | -178.9 | -60.8 | -86 | 0 | 0 | 0 | 110.5 | A244 Y257 N258 E259 | A244-Y246 HydrophobicContact CB-CE2 4.17Å; Y246-Y257 AromaticContact CD1-CD2 3.98Å; Y246-Y257 HydrophobicContact CD1-CD2 3.98Å; Y246-Y257 HydrophobicContact CE1-CD2 4.47Å; Y246-N258 CarbonylContact C-O 3.55Å; Y246-N258 WeakPolarHBondContact CA-O 3.48Å; Y246-E259 HydrophobicContact CD1-CB 4.07Å; Y246-E259 HydrophobicContact CD1-CG 4.24Å; Y246-E259 HydrophobicContact CE1-CB 3.93Å; Y246-E259 HydrophobicContact CE1-CG 3.91Å |
| 247 | C | 84.6 | Confident | 83.1 | Confident | 55 Ų | 55 | 100.5 Ų | 100.5 | 37% | 0.372 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 115.3 | 168.5 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | Y257 N258 L260 | C247-Y257 VanDerWaalsContact O-CA 3.23Å; C247-Y257 WeakPolarHBondContact O-CA 3.43Å; C247-N258 PolarHBondContact N-O 2.77Å; C247-N258 PolarHBondContact O-N 2.83Å; C247-L260 HydrophobicContact CB-CD1 4.14Å; C247-L260 HydrophobicContact CB-CD2 3.86Å; C247-L260 HydrophobicContact CB-CG 3.96Å |
| 248 | L | 86.3 | Confident | 83.2 | Confident | 115 Ų | 115 | 102 Ų | 102 | 60% | 0.602 | 56% | 0.56 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.8 | 126.8 | 175.8 | -174.7 | 75.2 | 0 | 0 | 0 | 110 | A255 Y256 | L248-A255 HydrophobicContact CD1-CB 4.23Å; L248-Y256 WeakPolarHBondContact CA-O 3.42Å |
| 249 | T | 83.9 | Confident | 83.4 | Confident | 48 Ų | 48 | 101 Ų | 101 | 29% | 0.294 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 126.3 | 173.5 | -60.2 | 0 | 0 | 0 | 0 | 110 | R251 Y256 | T249-R251 HydrophobicContact CG2-CG 3.89Å; T249-Y256 PolarHBondContact N-O 2.82Å; T249-Y256 PolarHBondContact O-N 3.2Å |
| 250 | I | 86.4 | Confident | 83.7 | Confident | 123 Ų | 123 | 102.6 Ų | 102.6 | 63% | 0.631 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 117.3 | 176.4 | -57.4 | 172.9 | 0 | 0 | 0 | 108.3 | C254 A255 | I250-C254 WeakPolarHBondContact CA-O 3.46Å; I250-A255 HydrophobicContact CG1-CB 4.43Å |
| 251 | R | 85 | Confident | 83.8 | Confident | 169 Ų | 169 | 99.3 Ų | 99.3 | 64% | 0.638 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 136.7 | 177 | -71.5 | 174 | -171.5 | 178.8 | 5.6 | 109 | T249 G253 C254 Y256 | T249-R251 HydrophobicContact CG2-CG 3.89Å; R251-G253 VanDerWaalsContact C-N 3.25Å; R251-G253 PolarHBondContact O-N 2.8Å; R251-C254 PolarHBondContact N-O 2.77Å; R251-C254 PolarHBondContact O-N 3.26Å; R251-C254 VanDerWaalsContact O-O 3.08Å; R251-Y256 HydrophobicContact CB-CE2 4.44Å |
| 252 | N | 86 | Confident | 84.1 | Confident | 166 Ų | 166 | 98 Ų | 98 | 89% | 0.888 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 35 | 177 | -57.2 | -17.7 | 0 | 0 | 0 | 114.8 | C254 | N252-C254 PolarHBondContact O-N 3.43Š|
| 253 | G | 85.2 | Confident | 84.5 | Confident | 80 Ų | 80 | 97.1 Ų | 97.1 | 83% | 0.825 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | -3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | R251 | R251-G253 VanDerWaalsContact C-N 3.25Å; R251-G253 PolarHBondContact O-N 2.8Å |
| 254 | C | 81.1 | Confident | 84.7 | Confident | 67 Ų | 67 | 93.3 Ų | 93.3 | 45% | 0.453 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 141.3 | 174.7 | -64 | 0 | 0 | 0 | 0 | 110.6 | I250 R251 N252 Y256 | I250-C254 WeakPolarHBondContact CA-O 3.46Å; R251-C254 PolarHBondContact N-O 2.77Å; R251-C254 PolarHBondContact O-N 3.26Å; R251-C254 VanDerWaalsContact O-O 3.08Å; N252-C254 PolarHBondContact O-N 3.43Å; C254-Y256 HydrophobicContact CB-CD2 4.43Å; C254-Y256 HydrophobicContact CB-CE2 3.68Å |
| 255 | A | 86.1 | Confident | 84.9 | Confident | 70 Ų | 70 | 99.1 Ų | 99.1 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 121.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | L248 I250 | L248-A255 HydrophobicContact CD1-CB 4.23Å; I250-A255 HydrophobicContact CG1-CB 4.43Å |
| 256 | Y | 86.8 | Confident | 85.1 | Confident | 128 Ų | 128 | 99.1 Ų | 99.1 | 50% | 0.502 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 139.8 | 173.5 | -60.6 | -90.6 | 0 | 0 | 0 | 108.4 | L248 T249 R251 C254 | L248-Y256 WeakPolarHBondContact CA-O 3.42Å; T249-Y256 PolarHBondContact N-O 2.82Å; T249-Y256 PolarHBondContact O-N 3.2Å; R251-Y256 HydrophobicContact CB-CE2 4.44Å; C254-Y256 HydrophobicContact CB-CD2 4.43Å; C254-Y256 HydrophobicContact CB-CE2 3.68Å |
| 257 | Y | 89.2 | Confident | 85.2 | Confident | 161 Ų | 161 | 95.5 Ų | 95.5 | 63% | 0.631 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 138.6 | 173.2 | 68.4 | -86.5 | 0 | 0 | 0 | 110.1 | Y246 C247 | Y246-Y257 AromaticContact CD1-CD2 3.98Å; Y246-Y257 HydrophobicContact CD1-CD2 3.98Å; Y246-Y257 HydrophobicContact CE1-CD2 4.47Å; C247-Y257 VanDerWaalsContact O-CA 3.23Å; C247-Y257 WeakPolarHBondContact O-CA 3.43Å |
| 258 | N | 85.6 | Confident | 85.3 | Confident | 119 Ų | 119 | 101.5 Ų | 101.5 | 64% | 0.636 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 140.8 | 170.6 | -70.9 | -5.1 | 0 | 0 | 0 | 108.5 | Y246 C247 | Y246-N258 CarbonylContact C-O 3.55Å; Y246-N258 WeakPolarHBondContact CA-O 3.48Å; C247-N258 PolarHBondContact N-O 2.77Å; C247-N258 PolarHBondContact O-N 2.83Å |
| 259 | E | 85.2 | Confident | 85.1 | Confident | 75 Ų | 75 | 97.4 Ų | 97.4 | 35% | 0.35 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 139.2 | 169 | -160.6 | -167 | 165.3 | 0 | 0 | 109.3 | K237 Y242 A244 Y246 | K237-E259 WeakPolarHBondContact CE-OE1 3.02Å; K237-E259 WeakPolarHBondContact CE-OE2 3.05Å; K237-E259 IonicContact NZ-OE1 2.67Å; K237-E259 PolarHBondContact NZ-OE1 3.3Å; K237-E259 IonicContact NZ-OE2 3.28Å; K237-E259 PolarHBondContact NZ-OE2 2.91Å; Y242-E259 PolarHBondContact OH-OE1 3.13Å; A244-E259 HydrophobicContact CB-CG 4.37Å; Y246-E259 HydrophobicContact CD1-CB 4.07Å; Y246-E259 HydrophobicContact CD1-CG 4.24Å; Y246-E259 HydrophobicContact CE1-CB 3.93Å; Y246-E259 HydrophobicContact CE1-CG 3.91Å |
| 260 | L | 84.2 | Confident | 84.6 | Confident | 74 Ų | 74 | 98.5 Ų | 98.5 | 39% | 0.387 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 112.3 | 174.9 | -67.4 | 174.6 | 0 | 0 | 0 | 108.7 | Y242 N245 C247 T262 | Y242-L260 PolarHBondContact OH-O 3.42Å; N245-L260 HydrophobicContact CB-CB 4.41Å; N245-L260 HydrophobicContact CB-CD1 4.44Å; N245-L260 WeakPolarHBondContact O-CB 3.34Å; N245-L260 PolarHBondContact O-N 2.92Å; C247-L260 HydrophobicContact CB-CD1 4.14Å; C247-L260 HydrophobicContact CB-CD2 3.86Å; C247-L260 HydrophobicContact CB-CG 3.96Å; L260-T262 PolarHBondContact O-N 3Å |
| 261 | D | 81.5 | Confident | 83.6 | Confident | 87 Ų | 87 | 97.6 Ų | 97.6 | 47% | 0.465 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -61.6 | -15.4 | 177.6 | -56.9 | -29.5 | 0 | 0 | 0 | 113.9 | K237 | K237-D261 HydrophobicContact CD-CB 3.93Å; K237-D261 WeakPolarHBondContact CD-OD1 3.35Å; K237-D261 WeakPolarHBondContact CE-OD1 3.47Å; K237-D261 HydrophobicContact CG-CB 4.32Å; K237-D261 PolarHBondContact N-O 3.06Å; K237-D261 IonicContact NZ-OD1 3.92Å; K237-D261 PolarHBondContact NZ-OD1 3.12Å |
| 262 | T | 83.1 | Confident | 82.5 | Confident | 65 Ų | 65 | 94.7 Ų | 94.7 | 40% | 0.399 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 135.3 | 179 | 56.7 | 0 | 0 | 0 | 0 | 111.1 | L234 R235 L260 | L234-T262 HydrophobicContact CD1-CG2 4.19Å; R235-T262 CarbonylContact O-C 3.52Å; R235-T262 VanDerWaalsContact O-CA 3.23Å; R235-T262 WeakPolarHBondContact O-CA 3.48Å; L260-T262 PolarHBondContact O-N 3Å |
| 263 | S | 84.7 | Confident | 81.1 | Confident | 29 Ų | 29 | 96.2 Ų | 96.2 | 20% | 0.203 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 130.6 | 172.4 | -170.9 | 0 | 0 | 0 | 0 | 109.5 | R235 N245 | R235-S263 PolarHBondContact N-O 3.37Å; R235-S263 PolarHBondContact O-N 3.1Å; N245-S263 VanDerWaalsContact ND2-CB 3.33Å; N245-S263 WeakPolarHBondContact ND2-CB 3.47Å; N245-S263 PolarHBondContact ND2-OG 3.19Å |
| 264 | V | 83.1 | Confident | 79.9 | Confident | 77 Ų | 77 | 100.5 Ų | 100.5 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 116.2 | 178.2 | -179.3 | 0 | 0 | 0 | 0 | 109 | W232 L234 L266 | W232-V264 HydrophobicContact CB-CG1 4.07Å; L234-V264 HydrophobicContact CD1-CG2 3.81Å; V264-L266 HydrophobicContact CG1-CD2 3.9Å; V264-L266 HydrophobicContact CG1-CG 4.4Å |
| 265 | R | 84.9 | Confident | 78.8 | Confident | 167 Ų | 167 | 99.4 Ų | 99.4 | 63% | 0.63 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 121.7 | 172.7 | -171.7 | 172.4 | 178.8 | 166.5 | 2.4 | 109.9 | W232 H233 | W232-R265 WeakPolarHBondContact CA-O 3.36Å; H233-R265 PolarHBondContact N-O 3.46Å; H233-R265 PolarHBondContact O-N 3.24Å |
| 266 | L | 88.7 | Confident | 77.7 | Confident | 66 Ų | 66 | 99.1 Ų | 99.1 | 35% | 0.346 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 124.3 | 177.9 | -61.1 | 178.6 | 0 | 0 | 0 | 110.8 | Y194 Y230 N231 W232 V264 | Y194-L266 HydrophobicContact CE2-CD1 4.24Å; Y194-L266 VanDerWaalsContact OH-CD1 3.26Å; Y194-L266 WeakPolarHBondContact OH-CD1 3.33Å; Y230-L266 HydrophobicContact CD1-CB 3.88Å; Y230-L266 HydrophobicContact CG-CB 4.21Å; N231-L266 WeakPolarHBondContact O-CA 3.49Å; W232-L266 HydrophobicContact CB-CD2 3.71Å; V264-L266 HydrophobicContact CG1-CD2 3.9Å; V264-L266 HydrophobicContact CG1-CG 4.4Å |
| 267 | N | 88.2 | Confident | 76.9 | Confident | 65 Ų | 65 | 101.5 Ų | 101.5 | 35% | 0.348 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 119.2 | 174.8 | -70.5 | -29.7 | 0 | 0 | 0 | 109 | Y230 N231 H233 C269 | Y230-N267 CarbonylContact C-O 3.58Å; Y230-N267 VanDerWaalsContact CA-O 3.29Å; Y230-N267 WeakPolarHBondContact CA-O 3.46Å; N231-N267 PolarHBondContact N-O 3.17Å; N231-N267 PolarHBondContact O-N 2.71Å; H233-N267 PolarHBondContact CD2-ND2 3.2Å; H233-N267 VanDerWaalsContact CD2-ND2 3.28Å; H233-N267 PolarHBondContact NE2-ND2 3.27Å; N267-C269 PolarHBondContact O-N 3.19Å |
| 268 | R | 87.4 | Confident | 76.3 | Confident | 180 Ų | 180 | 95.1 Ų | 95.1 | 68% | 0.679 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 123.7 | -178.2 | -171.2 | -179.7 | 74.9 | -175.2 | 4 | 110.1 | Y230 | Y230-R268 VanDerWaalsContact CD1-CA 3.48Å; Y230-R268 HydrophobicContact CD1-CB 3.91Å; Y230-R268 HydrophobicContact CD1-CG 4.45Å; Y230-R268 HydrophobicContact CE1-CB 3.64Å; Y230-R268 HydrophobicContact CE1-CG 3.99Å |
| 269 | C | 81.1 | Confident | 75.7 | Confident | 29 Ų | 29 | 92.3 Ų | 92.3 | 20% | 0.196 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -88 | 136.6 | 173 | -51.8 | 0 | 0 | 0 | 0 | 109.7 | Q229 N231 N267 | Q229-C269 HydrophobicContact CG-CB 4.05Å; Q229-C269 PolarHBondContact O-N 3.02Å; N231-C269 PolarHBondContact N-SG 3.12Å; N231-C269 PolarHBondContact ND2-SG 2.73Å; N231-C269 PolarHBondContact OD1-SG 3.22Å; N267-C269 PolarHBondContact O-N 3.19Å |
| 270 | A | 73.7 | Confident | 75.5 | Confident | 71 Ų | 71 | 95.1 Ų | 95.1 | 59% | 0.587 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -72.8 | 144.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | N272 | A270-N272 PolarHBondContact O-N 3.01Š|
| 271 | L | 65 | Low | 75.6 | Confident | 104 Ų | 104 | 94.2 Ų | 94.2 | 55% | 0.545 | 48% | 0.482 | S | S | . | . | trans | -66 | 102.8 | 169.8 | -80.2 | 125.9 | 0 | 0 | 0 | 108.8 | ||||
| 272 | N | 61.9 | Low | 75.9 | Confident | 108 Ų | 108 | 98.7 Ų | 98.7 | 58% | 0.578 | 49% | 0.492 | S | S | * | . | trans | -87.2 | 161.2 | 168.1 | -81 | -11.6 | 0 | 0 | 0 | 110.3 | A270 Q274 N275 S276 | A270-N272 PolarHBondContact O-N 3.01Å; N272-Q274 PolarHBondContact O-N 2.84Å; N272-N275 WeakPolarHBondContact O-CA 3.23Å; N272-N275 PolarHBondContact O-N 3.02Å; N272-S276 PolarHBondContact O-N 3.04Å | ||
| 273 | K | 57.4 | Low | 76.2 | Confident | 199 Ų | 199 | 97 Ų | 97 | 87% | 0.865 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -52.8 | -31.6 | -179.1 | -70.3 | -178.3 | 179 | 179.5 | 0 | 113.6 | S276 | K273-S276 WeakPolarHBondContact O-CB 3.21Å; K273-S276 PolarHBondContact O-N 2.82Å; K273-S276 PolarHBondContact O-OG 2.74Å |
| 274 | Q | 58.2 | Low | 76.4 | Confident | 170 Ų | 170 | 100.6 Ų | 100.6 | 79% | 0.794 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -67.4 | -34.4 | 175.2 | -73.2 | 175.7 | -36.9 | 0 | 0 | 112.9 | N272 S276 | N272-Q274 PolarHBondContact O-N 2.84Å; Q274-S276 VanDerWaalsContact C-N 3.31Å; Q274-S276 PolarHBondContact O-N 3.21Å |
| 275 | N | 59.5 | Low | 76.6 | Confident | 44 Ų | 44 | 98.1 Ų | 98.1 | 24% | 0.235 | 48% | 0.482 | C | S | . | . | G | 310 helix | trans | -89 | 6.2 | 178.7 | -67.9 | -12.2 | 0 | 0 | 0 | 113.2 | Q229 N272 K277 L278 | Q229-N275 PolarHBondContact NE2-ND2 3.04Å; Q229-N275 VanDerWaalsContact NE2-ND2 3.14Å; N272-N275 WeakPolarHBondContact O-CA 3.23Å; N272-N275 PolarHBondContact O-N 3.02Å; N275-K277 PolarHBondContact O-N 2.99Å; N275-L278 HydrophobicContact CB-CD1 4.37Å; N275-L278 WeakPolarHBondContact O-CB 3.5Å; N275-L278 PolarHBondContact O-N 2.98Å |
| 276 | S | 63.1 | Low | 76.6 | Confident | 64 Ų | 64 | 93.5 Ų | 93.5 | 45% | 0.448 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -57.5 | -31.1 | 178.1 | 56.1 | 0 | 0 | 0 | 0 | 112.6 | N272 K273 Q274 L278 S279 | N272-S276 PolarHBondContact O-N 3.04Å; K273-S276 WeakPolarHBondContact O-CB 3.21Å; K273-S276 PolarHBondContact O-N 2.82Å; K273-S276 PolarHBondContact O-OG 2.74Å; Q274-S276 VanDerWaalsContact C-N 3.31Å; Q274-S276 PolarHBondContact O-N 3.21Å; S276-L278 PolarHBondContact O-N 2.76Å; S276-S279 PolarHBondContact O-N 3.34Å; S276-S279 PolarHBondContact O-OG 2.66Å |
| 277 | K | 69.5 | Low | 76.1 | Confident | 178 Ų | 178 | 92.9 Ų | 92.9 | 77% | 0.774 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.9 | -24.8 | 176.4 | -64.7 | -178.2 | -177.9 | 174.3 | 0 | 113.6 | N275 | N275-K277 PolarHBondContact O-N 2.99Å |
| 278 | L | 75.9 | Confident | 75.8 | Confident | 27 Ų | 27 | 96.8 Ų | 96.8 | 14% | 0.141 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -78.8 | -21.6 | -179.6 | -71.3 | 167.5 | 0 | 0 | 0 | 112.8 | M183 F191 F226 N275 S276 D280 L281 | M183-L278 HydrophobicContact CE-CD2 3.72Å; F191-L278 HydrophobicContact CE2-CD1 4.14Å; F191-L278 HydrophobicContact CZ-CD1 3.94Å; F226-L278 WeakPolarHBondContact CB-O 3.41Å; F226-L278 VanDerWaalsContact CD1-O 3.23Å; F226-L278 WeakPolarHBondContact CD1-O 3.23Å; F226-L278 HydrophobicContact CE1-CB 4.39Å; F226-L278 VanDerWaalsContact CG-O 3.3Å; F226-L278 WeakPolarHBondContact CG-O 3.43Å; F226-L278 HydrophobicContact CZ-CB 4.35Å; N275-L278 HydrophobicContact CB-CD1 4.37Å; N275-L278 WeakPolarHBondContact O-CB 3.5Å; N275-L278 PolarHBondContact O-N 2.98Å; S276-L278 PolarHBondContact O-N 2.76Å; L278-D280 PolarHBondContact O-N 3Å; L278-L281 HydrophobicContact CD2-CD2 4.25Å; L278-L281 WeakPolarHBondContact O-CB 3.37Å; L278-L281 PolarHBondContact O-N 2.83Å; L278-L281 VanDerWaalsContact O-N 3.11Å |
| 279 | S | 73.9 | Confident | 75.6 | Confident | 60 Ų | 60 | 94.9 Ų | 94.9 | 42% | 0.42 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.4 | -27.9 | 178.7 | 62.5 | 0 | 0 | 0 | 0 | 112.7 | S276 L281 | S276-S279 PolarHBondContact O-N 3.34Å; S276-S279 PolarHBondContact O-OG 2.66Å; S279-L281 VanDerWaalsContact C-N 3.33Å |
| 280 | D | 80.2 | Confident | 75.8 | Confident | 133 Ų | 133 | 96.2 Ų | 96.2 | 71% | 0.711 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 4.9 | -179.4 | -62.6 | -4.9 | 0 | 0 | 0 | 111.8 | L278 R282 | L278-D280 PolarHBondContact O-N 3Å; D280-R282 PolarHBondContact O-N 2.96Å; D280-R282 VanDerWaalsContact O-N 3.11Å |
| 281 | L | 85.9 | Confident | 76.6 | Confident | 55 Ų | 55 | 95 Ų | 95 | 29% | 0.288 | 47% | 0.468 | S | S | . | . | trans | -66 | 114.1 | 178.6 | -177.6 | 72.4 | 0 | 0 | 0 | 109.7 | M183 L195 F226 L278 S279 V283 | M183-L281 HydrophobicContact CE-CD2 4.41Å; M183-L281 HydrophobicContact SD-CD2 4.47Å; L195-L281 HydrophobicContact CD2-CD2 4.44Å; F226-L281 HydrophobicContact CB-CB 3.93Å; F226-L281 HydrophobicContact CB-CD2 4.49Å; F226-L281 WeakPolarHBondContact CB-O 3.45Å; F226-L281 HydrophobicContact CD2-CD2 4.44Å; F226-L281 PolarHBondContact N-O 3.41Å; L278-L281 HydrophobicContact CD2-CD2 4.25Å; L278-L281 WeakPolarHBondContact O-CB 3.37Å; L278-L281 PolarHBondContact O-N 2.83Å; L278-L281 VanDerWaalsContact O-N 3.11Å; S279-L281 VanDerWaalsContact C-N 3.33Å; L281-V283 HydrophobicContact CG-CG2 4.39Å | ||
| 282 | R | 88.2 | Confident | 78 | Confident | 181 Ų | 181 | 96.7 Ų | 96.7 | 68% | 0.683 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 136.4 | 171.6 | -67.8 | -175.3 | 176.7 | -178.2 | -3 | 109.5 | Y224 E225 D280 | Y224-R282 CarbonylContact O-C 3.58Å; Y224-R282 VanDerWaalsContact O-CA 3.3Å; Y224-R282 WeakPolarHBondContact O-CA 2.91Å; E225-R282 HydrophobicContact CG-CG 4.05Å; E225-R282 IonicContact OE1-NH2 3.99Å; D280-R282 PolarHBondContact O-N 2.96Å; D280-R282 VanDerWaalsContact O-N 3.11Å |
| 283 | V | 88.7 | Confident | 79.5 | Confident | 30 Ų | 30 | 98.8 Ų | 98.8 | 18% | 0.182 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 126.9 | 179.6 | -176.6 | 0 | 0 | 0 | 0 | 108.3 | L195 Y224 L281 V285 W372 | L195-V283 HydrophobicContact CD1-CG2 4.14Å; L195-V283 HydrophobicContact CD2-CG2 3.95Å; Y224-V283 WeakPolarHBondContact CB-O 3.27Å; Y224-V283 PolarHBondContact N-O 3.44Å; Y224-V283 PolarHBondContact O-N 2.86Å; L281-V283 HydrophobicContact CG-CG2 4.39Å; V283-V285 HydrophobicContact CG1-CG2 3.96Å; V283-W372 HydrophobicContact CG1-CZ3 4.48Å |
| 284 | M | 89.5 | Confident | 81.1 | Confident | 104 Ų | 104 | 93.1 Ų | 93.1 | 51% | 0.512 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 120.2 | 168.5 | -74.4 | -146.2 | -62.9 | 0 | 0 | 109.7 | R221 D223 | R221-M284 HydrophobicContact CB-SD 4.21Å; D223-M284 WeakPolarHBondContact OD1-CG 3.16Å |
| 285 | V | 87.3 | Confident | 82.7 | Confident | 26 Ų | 26 | 88 Ų | 88 | 16% | 0.158 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 123.7 | -178.1 | -178.6 | 0 | 0 | 0 | 0 | 109.4 | I179 F222 Y224 V283 F287 | I179-V285 HydrophobicContact CD1-CB 4.25Å; I179-V285 HydrophobicContact CD1-CG1 3.9Å; I179-V285 HydrophobicContact CD1-CG2 3.66Å; F222-V285 PolarHBondContact N-O 2.95Å; F222-V285 PolarHBondContact O-N 2.67Å; Y224-V285 HydrophobicContact CD2-CB 3.78Å; Y224-V285 HydrophobicContact CD2-CG2 3.54Å; Y224-V285 HydrophobicContact CE2-CB 3.85Å; Y224-V285 HydrophobicContact CE2-CG1 4.43Å; Y224-V285 HydrophobicContact CE2-CG2 4Å; Y224-V285 HydrophobicContact CG-CG2 4.08Å; V283-V285 HydrophobicContact CG1-CG2 3.96Å; V285-F287 HydrophobicContact CG1-CD1 4.43Å; V285-F287 HydrophobicContact CG1-CE1 4.16Å; V285-F287 HydrophobicContact CG1-CZ 4.31Å |
| 286 | T | 84.8 | Confident | 84.4 | Confident | 70 Ų | 70 | 88.3 Ų | 88.3 | 43% | 0.429 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 125.9 | 169.5 | 51.8 | 0 | 0 | 0 | 0 | 109.5 | R221 | R221-T286 HydrophobicContact CB-CG2 4.29Å; R221-T286 HydrophobicContact CG-CG2 3.4Å; R221-T286 VanDerWaalsContact CG-CG2 3.4Å |
| 287 | F | 78.8 | Confident | 85.8 | Confident | 53 Ų | 53 | 88.1 Ų | 88.1 | 23% | 0.232 | 45% | 0.448 | C | S | . | . | trans | -85 | 124 | 174.3 | -58.3 | -73.6 | 0 | 0 | 0 | 110.8 | K216 F222 V285 | K216-F287 HydrophobicContact CB-CB 3.83Å; K216-F287 HydrophobicContact CD-CB 3.39Å; K216-F287 HydrophobicContact CD-CD1 4.05Å; K216-F287 HydrophobicContact CD-CD2 3.93Å; K216-F287 HydrophobicContact CD-CG 3.54Å; K216-F287 VanDerWaalsContact CE-CD2 3.43Å; K216-F287 HydrophobicContact CG-CB 3.63Å; K216-F287 HydrophobicContact CG-CD2 3.82Å; K216-F287 HydrophobicContact CG-CG 3.87Å; F222-F287 AromaticContact CD2-CD2 3.74Å; F222-F287 HydrophobicContact CD2-CD2 3.74Å; F222-F287 AromaticContact CD2-CE2 3.58Å; F222-F287 HydrophobicContact CD2-CE2 3.58Å; F222-F287 AromaticContact CE2-CD2 3.7Å; F222-F287 HydrophobicContact CE2-CD2 3.7Å; F222-F287 AromaticContact CE2-CE2 3.79Å; F222-F287 HydrophobicContact CE2-CE2 3.79Å; F222-F287 HydrophobicContact CG-CE2 4.34Å; V285-F287 HydrophobicContact CG1-CD1 4.43Å; V285-F287 HydrophobicContact CG1-CE1 4.16Å; V285-F287 HydrophobicContact CG1-CZ 4.31Å | ||
| 288 | R | 82.6 | Confident | 86.9 | Confident | 147 Ų | 147 | 85.7 Ų | 85.7 | 56% | 0.555 | 44% | 0.44 | S | S | * | . | trans | -121.7 | 159.9 | 176 | 65.9 | -178.7 | -174.3 | 110.9 | -7.5 | 110.3 | E294 | R288-E294 IonicContact CZ-OE1 2.87Å; R288-E294 IonicContact CZ-OE2 3.2Å; R288-E294 IonicContact NH1-OE2 2.82Å; R288-E294 PolarHBondContact NH1-OE2 3.46Å; R288-E294 VanDerWaalsContact NH2-CD 3.31Å; R288-E294 IonicContact NH2-OE1 3.79Å; R288-E294 PolarHBondContact NH2-OE1 3.28Å; R288-E294 IonicContact NH2-OE2 3.93Å; R288-E294 PolarHBondContact NH2-OE2 2.67Å | ||
| 289 | Q | 82.2 | Confident | 87.7 | Confident | 140 Ų | 140 | 89.6 Ų | 89.6 | 65% | 0.654 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 142.7 | 164.6 | -69.1 | -68.3 | -6.5 | 0 | 0 | 108.6 | ||
| 290 | P | 85.1 | Confident | 88.6 | Confident | 56 Ų | 56 | 88.7 Ų | 88.7 | 36% | 0.364 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 144 | 175.9 | 27.3 | -33.3 | 0 | 0 | 0 | 109.9 | E294 I295 | P290-E294 VanDerWaalsContact CA-OE2 3.27Å; P290-E294 WeakPolarHBondContact CA-OE2 3.06Å; P290-E294 HydrophobicContact CB-CB 4.04Å; P290-I295 HydrophobicContact CB-CG1 3.99Å; P290-I295 HydrophobicContact CG-CD1 4.26Å; P290-I295 HydrophobicContact CG-CG1 3.88Å |
| 291 | N | 90.8 | Very high | 89.1 | Confident | 47 Ų | 47 | 91 Ų | 91 | 25% | 0.251 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 168 | 174.2 | 70.3 | 16.7 | 0 | 0 | 0 | 111 | Q293 E294 I295 | N291-Q293 PolarHBondContact O-N 2.9Å; N291-Q293 VanDerWaalsContact O-N 3.16Å; N291-Q293 PolarHBondContact OD1-N 3.16Å; N291-E294 PolarHBondContact N-OE2 3.4Å; N291-E294 PolarHBondContact O-N 3.41Å; N291-E294 VanDerWaalsContact O-N 3.1Å; N291-E294 VanDerWaalsContact OD1-CB 3.27Å; N291-E294 WeakPolarHBondContact OD1-CB 3.43Å; N291-E294 WeakPolarHBondContact OD1-CG 3.3Å; N291-E294 PolarHBondContact OD1-N 2.82Å; N291-E294 PolarHBondContact OD1-OE2 2.74Å; N291-I295 WeakPolarHBondContact O-CG1 3.33Å; N291-I295 PolarHBondContact O-N 3.12Å |
| 292 | D | 93.6 | Very high | 89.2 | Confident | 138 Ų | 138 | 92.9 Ų | 92.9 | 74% | 0.738 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -59.2 | -31 | -177.5 | -60.2 | -22.5 | 0 | 0 | 0 | 113 | A296 | D292-A296 VanDerWaalsContact O-CB 3.26Å; D292-A296 WeakPolarHBondContact O-CB 3.33Å; D292-A296 PolarHBondContact O-N 3.1Å |
| 293 | Q | 93.7 | Very high | 89.2 | Confident | 153 Ų | 153 | 91.7 Ų | 91.7 | 72% | 0.715 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -69.8 | -43.1 | 176.1 | -66.9 | 179 | -16.5 | 0 | 0 | 112.3 | N291 I295 A296 A297 | N291-Q293 PolarHBondContact O-N 2.9Å; N291-Q293 VanDerWaalsContact O-N 3.16Å; N291-Q293 PolarHBondContact OD1-N 3.16Å; Q293-I295 VanDerWaalsContact C-N 3.35Å; Q293-A296 PolarHBondContact O-N 2.92Å; Q293-A297 VanDerWaalsContact O-CB 3.3Å; Q293-A297 WeakPolarHBondContact O-CB 3.27Å; Q293-A297 PolarHBondContact O-N 2.92Å |
| 294 | E | 91.8 | Very high | 89.1 | Confident | 79 Ų | 79 | 95.8 Ų | 95.8 | 37% | 0.369 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 176.2 | -73.1 | 165.2 | 156.7 | 0 | 0 | 110.3 | R288 P290 N291 Q298 | R288-E294 IonicContact CZ-OE1 2.87Å; R288-E294 IonicContact CZ-OE2 3.2Å; R288-E294 IonicContact NH1-OE2 2.82Å; R288-E294 PolarHBondContact NH1-OE2 3.46Å; R288-E294 VanDerWaalsContact NH2-CD 3.31Å; R288-E294 IonicContact NH2-OE1 3.79Å; R288-E294 PolarHBondContact NH2-OE1 3.28Å; R288-E294 IonicContact NH2-OE2 3.93Å; R288-E294 PolarHBondContact NH2-OE2 2.67Å; P290-E294 VanDerWaalsContact CA-OE2 3.27Å; P290-E294 WeakPolarHBondContact CA-OE2 3.06Å; P290-E294 HydrophobicContact CB-CB 4.04Å; N291-E294 PolarHBondContact N-OE2 3.4Å; N291-E294 PolarHBondContact O-N 3.41Å; N291-E294 VanDerWaalsContact O-N 3.1Å; N291-E294 VanDerWaalsContact OD1-CB 3.27Å; N291-E294 WeakPolarHBondContact OD1-CB 3.43Å; N291-E294 WeakPolarHBondContact OD1-CG 3.3Å; N291-E294 PolarHBondContact OD1-N 2.82Å; N291-E294 PolarHBondContact OD1-OE2 2.74Å; E294-Q298 VanDerWaalsContact O-CB 3.3Å; E294-Q298 WeakPolarHBondContact O-CB 3.46Å; E294-Q298 PolarHBondContact O-N 2.88Å |
| 295 | I | 92.2 | Very high | 88.6 | Confident | 63 Ų | 63 | 95.8 Ų | 95.8 | 32% | 0.323 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.2 | -50.7 | 173.9 | -64.6 | 167.9 | 0 | 0 | 0 | 110.1 | P290 N291 Q293 A297 Q298 E299 | P290-I295 HydrophobicContact CB-CG1 3.99Å; P290-I295 HydrophobicContact CG-CD1 4.26Å; P290-I295 HydrophobicContact CG-CG1 3.88Å; N291-I295 WeakPolarHBondContact O-CG1 3.33Å; N291-I295 PolarHBondContact O-N 3.12Å; Q293-I295 VanDerWaalsContact C-N 3.35Å; I295-A297 VanDerWaalsContact C-N 3.33Å; I295-A297 PolarHBondContact O-N 3.38Å; I295-Q298 WeakPolarHBondContact O-CB 3.3Å; I295-Q298 PolarHBondContact O-N 2.86Å; I295-Q298 VanDerWaalsContact O-N 3.14Å; I295-E299 HydrophobicContact CG2-CG 4.45Å; I295-E299 WeakPolarHBondContact O-CG 3.33Å; I295-E299 PolarHBondContact O-N 3.22Å |
| 296 | A | 94.4 | Very high | 88.3 | Confident | 50 Ų | 50 | 99.8 Ų | 99.8 | 41% | 0.413 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.8 | -40.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | D292 Q293 E299 A300 | D292-A296 VanDerWaalsContact O-CB 3.26Å; D292-A296 WeakPolarHBondContact O-CB 3.33Å; D292-A296 PolarHBondContact O-N 3.1Å; Q293-A296 PolarHBondContact O-N 2.92Å; A296-E299 PolarHBondContact O-N 3.33Å; A296-A300 WeakPolarHBondContact O-CB 3.49Å; A296-A300 PolarHBondContact O-N 3.14Å |
| 297 | A | 93.3 | Very high | 87.7 | Confident | 61 Ų | 61 | 101.6 Ų | 101.6 | 50% | 0.504 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q293 I295 A300 R301 | Q293-A297 VanDerWaalsContact O-CB 3.3Å; Q293-A297 WeakPolarHBondContact O-CB 3.27Å; Q293-A297 PolarHBondContact O-N 2.92Å; I295-A297 VanDerWaalsContact C-N 3.33Å; I295-A297 PolarHBondContact O-N 3.38Å; A297-A300 PolarHBondContact O-N 3.32Å; A297-R301 WeakPolarHBondContact O-CB 3.36Å; A297-R301 PolarHBondContact O-N 2.72Å |
| 298 | Q | 90.9 | Very high | 87.2 | Confident | 126 Ų | 126 | 101.2 Ų | 101.2 | 59% | 0.589 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.6 | -44.6 | 174.7 | -177.4 | 177.5 | -20.1 | 0 | 0 | 111.4 | E294 I295 R301 M302 | E294-Q298 VanDerWaalsContact O-CB 3.3Å; E294-Q298 WeakPolarHBondContact O-CB 3.46Å; E294-Q298 PolarHBondContact O-N 2.88Å; I295-Q298 WeakPolarHBondContact O-CB 3.3Å; I295-Q298 PolarHBondContact O-N 2.86Å; I295-Q298 VanDerWaalsContact O-N 3.14Å; Q298-R301 PolarHBondContact O-N 3.43Å; Q298-M302 WeakPolarHBondContact O-CG 3.49Å; Q298-M302 PolarHBondContact O-N 3.41Å |
| 299 | E | 93.2 | Very high | 86.2 | Confident | 110 Ų | 110 | 97 Ų | 97 | 51% | 0.514 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 176.8 | -73.4 | 179.8 | 175.9 | 0 | 0 | 112.6 | I295 A296 M302 R303 | I295-E299 HydrophobicContact CG2-CG 4.45Å; I295-E299 WeakPolarHBondContact O-CG 3.33Å; I295-E299 PolarHBondContact O-N 3.22Å; A296-E299 PolarHBondContact O-N 3.33Å; E299-M302 PolarHBondContact O-N 3.15Å; E299-R303 PolarHBondContact O-N 2.93Å |
| 300 | A | 93.1 | Very high | 85.4 | Confident | 40 Ų | 40 | 94.8 Ų | 94.8 | 33% | 0.331 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | A296 A297 M302 R303 I304 | A296-A300 WeakPolarHBondContact O-CB 3.49Å; A296-A300 PolarHBondContact O-N 3.14Å; A297-A300 PolarHBondContact O-N 3.32Å; A300-M302 VanDerWaalsContact C-N 3.35Å; A300-M302 PolarHBondContact O-N 3.47Å; A300-R303 PolarHBondContact O-N 3.36Å; A300-I304 WeakPolarHBondContact O-CG1 3.4Å; A300-I304 PolarHBondContact O-N 3.47Å; A300-I304 VanDerWaalsContact O-N 3.15Å |
| 301 | R | 90.1 | Very high | 84.2 | Confident | 183 Ų | 183 | 98.2 Ų | 98.2 | 69% | 0.691 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.6 | -39.4 | 176.3 | -171.7 | 173.1 | -176.5 | 150.4 | 2.7 | 112.4 | A297 Q298 R303 I304 L305 | A297-R301 WeakPolarHBondContact O-CB 3.36Å; A297-R301 PolarHBondContact O-N 2.72Å; Q298-R301 PolarHBondContact O-N 3.43Å; R301-R303 VanDerWaalsContact C-N 3.35Å; R301-I304 PolarHBondContact O-N 3.04Å; R301-L305 WeakPolarHBondContact O-CG 3.41Å; R301-L305 PolarHBondContact O-N 3.28Å; R301-L305 VanDerWaalsContact O-N 3.15Å |
| 302 | M | 88.3 | Confident | 82.7 | Confident | 93 Ų | 93 | 100.1 Ų | 100.1 | 46% | 0.458 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 175 | -75.1 | -61.8 | -57.2 | 0 | 0 | 112 | Q298 E299 A300 L305 Q306 | Q298-M302 WeakPolarHBondContact O-CG 3.49Å; Q298-M302 PolarHBondContact O-N 3.41Å; E299-M302 PolarHBondContact O-N 3.15Å; A300-M302 VanDerWaalsContact C-N 3.35Å; A300-M302 PolarHBondContact O-N 3.47Å; M302-L305 PolarHBondContact O-N 3.37Å; M302-Q306 WeakPolarHBondContact O-CG 3.42Å; M302-Q306 PolarHBondContact O-N 3.25Å |
| 303 | R | 88.5 | Confident | 80.8 | Confident | 156 Ų | 156 | 96.9 Ų | 96.9 | 59% | 0.589 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.9 | -42.2 | 175.5 | -86.2 | -170.7 | -89.1 | 143 | -8.7 | 112.6 | E299 A300 R301 L305 Q306 L307 | E299-R303 PolarHBondContact O-N 2.93Å; A300-R303 PolarHBondContact O-N 3.36Å; R301-R303 VanDerWaalsContact C-N 3.35Å; R303-L305 VanDerWaalsContact C-N 3.33Å; R303-L305 PolarHBondContact O-N 3.1Å; R303-Q306 PolarHBondContact O-N 3.15Å; R303-L307 WeakPolarHBondContact O-CG 3.26Å; R303-L307 PolarHBondContact O-N 3.29Å |
| 304 | I | 86.3 | Confident | 78.9 | Confident | 117 Ų | 117 | 96 Ų | 96 | 60% | 0.6 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.6 | -43.2 | 176.8 | -64.7 | 165.6 | 0 | 0 | 0 | 110.9 | A300 R301 Q306 L307 A308 | A300-I304 WeakPolarHBondContact O-CG1 3.4Å; A300-I304 PolarHBondContact O-N 3.47Å; A300-I304 VanDerWaalsContact O-N 3.15Å; R301-I304 PolarHBondContact O-N 3.04Å; I304-Q306 VanDerWaalsContact C-N 3.33Å; I304-Q306 PolarHBondContact O-N 2.97Å; I304-L307 PolarHBondContact O-N 3.3Å; I304-A308 PolarHBondContact O-N 2.98Å; I304-A308 VanDerWaalsContact O-N 3.15Å |
| 305 | L | 80.6 | Confident | 77 | Confident | 104 Ų | 104 | 97.8 Ų | 97.8 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.6 | -34.1 | 178.9 | -69 | 172.2 | 0 | 0 | 0 | 112.8 | R301 M302 R303 S309 | R301-L305 WeakPolarHBondContact O-CG 3.41Å; R301-L305 PolarHBondContact O-N 3.28Å; R301-L305 VanDerWaalsContact O-N 3.15Å; M302-L305 PolarHBondContact O-N 3.37Å; R303-L305 VanDerWaalsContact C-N 3.33Å; R303-L305 PolarHBondContact O-N 3.1Å; L305-S309 PolarHBondContact O-N 3.48Å |
| 306 | Q | 79.2 | Confident | 75 | Confident | 109 Ų | 109 | 102.2 Ų | 102.2 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.5 | -42.9 | 175.3 | -75.1 | 174.5 | -24.3 | 0 | 0 | 111.8 | M302 R303 I304 A308 S309 D310 | M302-Q306 WeakPolarHBondContact O-CG 3.42Å; M302-Q306 PolarHBondContact O-N 3.25Å; R303-Q306 PolarHBondContact O-N 3.15Å; I304-Q306 VanDerWaalsContact C-N 3.33Å; I304-Q306 PolarHBondContact O-N 2.97Å; Q306-A308 VanDerWaalsContact C-N 3.33Å; Q306-A308 PolarHBondContact O-N 3.23Å; Q306-S309 WeakPolarHBondContact CA-OG 3.46Å; Q306-S309 PolarHBondContact O-N 2.93Å; Q306-S309 VanDerWaalsContact O-N 3.15Å; Q306-S309 PolarHBondContact O-OG 3.24Å; Q306-D310 PolarHBondContact O-N 3.03Å |
| 307 | L | 73.8 | Confident | 72.7 | Confident | 108 Ų | 108 | 106 Ų | 106 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.4 | -43.7 | 176.8 | -70.7 | 168.6 | 0 | 0 | 0 | 111.7 | R303 I304 S309 D310 E311 | R303-L307 WeakPolarHBondContact O-CG 3.26Å; R303-L307 PolarHBondContact O-N 3.29Å; I304-L307 PolarHBondContact O-N 3.3Å; L307-S309 VanDerWaalsContact C-N 3.29Å; L307-S309 PolarHBondContact O-N 3.48Å; L307-D310 PolarHBondContact O-N 3.32Å; L307-E311 WeakPolarHBondContact O-CG 3.4Å; L307-E311 PolarHBondContact O-N 3.03Å; L307-E311 VanDerWaalsContact O-N 3.13Å |
| 308 | A | 67.1 | Low | 70.3 | Confident | 46 Ų | 46 | 109.4 Ų | 109.4 | 38% | 0.38 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.5 | -35.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I304 Q306 D312 | I304-A308 PolarHBondContact O-N 2.98Å; I304-A308 VanDerWaalsContact O-N 3.15Å; Q306-A308 VanDerWaalsContact C-N 3.33Å; Q306-A308 PolarHBondContact O-N 3.23Å; A308-D312 PolarHBondContact O-N 2.89Å |
| 309 | S | 62.5 | Low | 68.2 | Low | 57 Ų | 57 | 110.7 Ų | 110.7 | 40% | 0.399 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -71.6 | -33.9 | 176.4 | 59 | 0 | 0 | 0 | 0 | 113.4 | L305 Q306 L307 T313 | L305-S309 PolarHBondContact O-N 3.48Å; Q306-S309 WeakPolarHBondContact CA-OG 3.46Å; Q306-S309 PolarHBondContact O-N 2.93Å; Q306-S309 VanDerWaalsContact O-N 3.15Å; Q306-S309 PolarHBondContact O-OG 3.24Å; L307-S309 VanDerWaalsContact C-N 3.29Å; L307-S309 PolarHBondContact O-N 3.48Å; S309-T313 WeakPolarHBondContact O-CB 3.48Å; S309-T313 PolarHBondContact O-N 2.99Å; S309-T313 VanDerWaalsContact O-N 3.12Å; S309-T313 PolarHBondContact O-OG1 3.43Å |
| 310 | D | 65.6 | Low | 65.7 | Low | 95 Ų | 95 | 109.7 Ų | 109.7 | 51% | 0.508 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.4 | -41.1 | 179.9 | -66.9 | -18.5 | 0 | 0 | 0 | 110.5 | Q306 L307 D312 T313 E314 | Q306-D310 PolarHBondContact O-N 3.03Å; L307-D310 PolarHBondContact O-N 3.32Å; D310-D312 PolarHBondContact O-N 2.64Å; D310-T313 PolarHBondContact O-N 3.06Å; D310-T313 VanDerWaalsContact O-N 3.1Å; D310-E314 PolarHBondContact O-N 3.15Å |
| 311 | E | 58.8 | Low | 62.8 | Low | 128 Ų | 128 | 113.1 Ų | 113.1 | 60% | 0.598 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -59.4 | -45.4 | 174.4 | -69.9 | 178.5 | 173.7 | 0 | 0 | 112.2 | L307 T313 E314 L315 | L307-E311 WeakPolarHBondContact O-CG 3.4Å; L307-E311 PolarHBondContact O-N 3.03Å; L307-E311 VanDerWaalsContact O-N 3.13Å; E311-T313 PolarHBondContact O-N 3.3Å; E311-E314 PolarHBondContact O-N 3.39Å; E311-L315 WeakPolarHBondContact O-CG 3.46Å; E311-L315 PolarHBondContact O-N 3.47Å; E311-L315 VanDerWaalsContact O-N 3.14Å |
| 312 | D | 59.4 | Low | 60.4 | Low | 87 Ų | 87 | 112.8 Ų | 112.8 | 47% | 0.465 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.2 | -29.4 | 175.7 | -80.5 | -19.8 | 0 | 0 | 0 | 112.9 | A308 D310 K316 | A308-D312 PolarHBondContact O-N 2.89Å; D310-D312 PolarHBondContact O-N 2.64Å; D312-K316 WeakPolarHBondContact O-CG 3.42Å; D312-K316 PolarHBondContact O-N 3.15Å |
| 313 | T | 54.5 | Low | 57.8 | Low | 70 Ų | 70 | 114.2 Ų | 114.2 | 43% | 0.429 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -79.2 | -39.4 | -178.7 | -51.4 | 0 | 0 | 0 | 0 | 111.2 | S309 D310 E311 K316 Q317 | S309-T313 WeakPolarHBondContact O-CB 3.48Å; S309-T313 PolarHBondContact O-N 2.99Å; S309-T313 VanDerWaalsContact O-N 3.12Å; S309-T313 PolarHBondContact O-OG1 3.43Å; D310-T313 PolarHBondContact O-N 3.06Å; D310-T313 VanDerWaalsContact O-N 3.1Å; E311-T313 PolarHBondContact O-N 3.3Å; T313-K316 PolarHBondContact O-N 3.13Å; T313-Q317 WeakPolarHBondContact O-CG 3.48Å; T313-Q317 PolarHBondContact O-N 3.21Å; T313-Q317 VanDerWaalsContact O-N 3.11Å |
| 314 | E | 53.1 | Low | 55.8 | Low | 135 Ų | 135 | 113.4 Ų | 113.4 | 63% | 0.631 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.4 | -38.6 | 174.3 | -71.4 | -169 | 169 | 0 | 0 | 111.8 | D310 E311 Q317 N318 | D310-E314 PolarHBondContact O-N 3.15Å; E311-E314 PolarHBondContact O-N 3.39Å; E314-Q317 PolarHBondContact O-N 3.12Å; E314-N318 PolarHBondContact O-N 2.96Å; E314-N318 PolarHBondContact O-ND2 3.04Å |
| 315 | L | 51.4 | Low | 53.7 | Low | 115 Ų | 115 | 116.9 Ų | 116.9 | 60% | 0.602 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.2 | -40.8 | 175.6 | -70.5 | 169.8 | 0 | 0 | 0 | 112.2 | E311 N318 | E311-L315 WeakPolarHBondContact O-CG 3.46Å; E311-L315 PolarHBondContact O-N 3.47Å; E311-L315 VanDerWaalsContact O-N 3.14Å; L315-N318 PolarHBondContact O-N 3.45Å |
| 316 | K | 50.5 | Low | 51.6 | Low | 156 Ų | 156 | 121.1 Ų | 121.1 | 68% | 0.678 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -72.3 | -27.2 | 178.6 | -75 | 174.7 | -177.6 | 167.2 | 0 | 114 | D312 T313 | D312-K316 WeakPolarHBondContact O-CG 3.42Å; D312-K316 PolarHBondContact O-N 3.15Å; T313-K316 PolarHBondContact O-N 3.13Å |
| 317 | Q | 46.5 | Very low | 49.7 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 60% | 0.603 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -71.5 | -33.4 | 175.8 | -78 | -178.8 | 11.3 | 0 | 0 | 112 | T313 E314 S320 | T313-Q317 WeakPolarHBondContact O-CG 3.48Å; T313-Q317 PolarHBondContact O-N 3.21Å; T313-Q317 VanDerWaalsContact O-N 3.11Å; E314-Q317 PolarHBondContact O-N 3.12Å; Q317-S320 PolarHBondContact O-OG 3.1Å |
| 318 | N | 43.7 | Very low | 48 | Very low | 133 Ų | 133 | 125.7 Ų | 125.7 | 71% | 0.711 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -74.4 | -23.7 | -179.2 | -69.6 | -31.1 | 0 | 0 | 0 | 114.1 | E314 L315 | E314-N318 PolarHBondContact O-N 2.96Å; E314-N318 PolarHBondContact O-ND2 3.04Å; L315-N318 PolarHBondContact O-N 3.45Å |
| 319 | D | 45.7 | Very low | 46.4 | Very low | 154 Ų | 154 | 129.4 Ų | 129.4 | 82% | 0.824 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 0.6 | 178.5 | -87.6 | -15.6 | 0 | 0 | 0 | 114.3 | ||
| 320 | S | 41.5 | Very low | 45.4 | Very low | 89 Ų | 89 | 136.8 Ų | 136.8 | 62% | 0.622 | 72% | 0.721 | S | S | * | * | trans | -100.2 | 10.4 | -170.3 | 67.4 | 0 | 0 | 0 | 0 | 116.1 | Q317 | Q317-S320 PolarHBondContact O-OG 3.1Š| ||
| 321 | C | 31 | Very low | 43.8 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 75% | 0.75 | 74% | 0.739 | S | S | * | * | trans | -111.7 | 85.4 | -178.5 | -83.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 322 | E | 40.6 | Very low | 42.4 | Very low | 176 Ų | 176 | 141.5 Ų | 141.5 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | -162.3 | 115.9 | 143 | -113.5 | -178.9 | -162.1 | 0 | 0 | 110.6 | ||||
| 323 | P | 34.3 | Very low | 40.9 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | trans | -89.8 | 124.8 | 172.1 | 33.3 | -25.3 | 0 | 0 | 0 | 109 | ||||
| 324 | V | 45.3 | Very low | 40.1 | Very low | 138 Ų | 138 | 147.4 Ų | 147.4 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | -113.6 | 119.9 | 168.3 | -157.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 325 | E | 43.6 | Very low | 39 | Very low | 190 Ų | 190 | 148.5 Ų | 148.5 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -64.6 | 144.2 | -169.2 | -62.6 | 178.2 | 152.1 | 0 | 0 | 113.3 | ||||
| 326 | E | 34.8 | Very low | 38.3 | Very low | 193 Ų | 193 | 148.8 Ų | 148.8 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -67.2 | 126.8 | 173.2 | -67.5 | 176.2 | 140.9 | 0 | 0 | 111.7 | ||||
| 327 | E | 40.7 | Very low | 37.3 | Very low | 198 Ų | 198 | 146.2 Ų | 146.2 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -135 | 133.1 | 145.8 | -77.5 | -159.7 | 164.2 | 0 | 0 | 111.5 | ||||
| 328 | S | 36.9 | Very low | 36.8 | Very low | 116 Ų | 116 | 150.5 Ų | 150.5 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | -69.6 | 159.8 | -161.8 | 48.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 329 | P | 33.7 | Very low | 36.5 | Very low | 124 Ų | 124 | 153 Ų | 153 | 81% | 0.805 | 83% | 0.829 | S | S | * | * | trans | -91.9 | 146.9 | -167.4 | 36.1 | -32.7 | 0 | 0 | 0 | 113.6 | ||||
| 330 | K | 41 | Very low | 35.7 | Very low | 212 Ų | 212 | 158.3 Ų | 158.3 | 92% | 0.922 | 84% | 0.837 | S | S | * | * | trans | -135.1 | 133.3 | 159.6 | -79.7 | -175.3 | -178.9 | 168.6 | 0 | 111.9 | ||||
| 331 | E | 32 | Very low | 35.3 | Very low | 190 Ų | 190 | 157.6 Ų | 157.6 | 89% | 0.888 | 84% | 0.844 | S | S | * | * | trans | -54.8 | 148.6 | -177.4 | -59.5 | 165 | 141.7 | 0 | 0 | 114.2 | ||||
| 332 | C | 29.9 | Very low | 35.4 | Very low | 132 Ų | 132 | 161.7 Ų | 161.7 | 89% | 0.892 | 85% | 0.849 | S | S | * | * | -170.2 | 125.1 | 122.7 | -106.5 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 333 | N | 29 | Very low | 35.4 | Very low | 163 Ų | 163 | 160.8 Ų | 160.8 | 87% | 0.872 | 85% | 0.85 | S | S | * | * | trans | -61.2 | 144.7 | 166.8 | -72 | -37.1 | 0 | 0 | 0 | 111.4 | ||||
| 334 | S | 36.3 | Very low | 35.3 | Very low | 117 Ų | 117 | 162.1 Ų | 162.1 | 82% | 0.818 | 85% | 0.85 | S | S | * | * | trans | -162.7 | 137.6 | 131 | 48.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 335 | D | 30.2 | Very low | 35.1 | Very low | 158 Ų | 158 | 162.9 Ų | 162.9 | 85% | 0.845 | 85% | 0.85 | S | S | * | * | trans | -52.7 | 134.7 | 178.3 | -58.6 | -68.3 | 0 | 0 | 0 | 113.8 | ||||
| 336 | V | 37 | Very low | 34.7 | Very low | 121 Ų | 121 | 162.2 Ų | 162.2 | 73% | 0.733 | 85% | 0.847 | S | S | * | * | trans | -147.7 | 108.9 | 141.8 | -171.7 | 0 | 0 | 0 | 0 | 109.6 | Y338 | V336-Y338 HydrophobicContact CG1-CD2 3.63Å; V336-Y338 HydrophobicContact CG1-CE2 3.51Å | ||
| 337 | S | 29.6 | Very low | 34.9 | Very low | 103 Ų | 103 | 160.9 Ų | 160.9 | 72% | 0.72 | 85% | 0.846 | S | S | * | * | trans | -68.5 | 135.2 | 162.3 | 54 | 0 | 0 | 0 | 0 | 111 | ||||
| 338 | Y | 35.8 | Very low | 35 | Very low | 219 Ų | 219 | 160 Ų | 160 | 86% | 0.859 | 84% | 0.842 | S | S | * | * | trans | -147.3 | 149.5 | 147.9 | -84 | -69.2 | 0 | 0 | 0 | 112.7 | V336 | V336-Y338 HydrophobicContact CG1-CD2 3.63Å; V336-Y338 HydrophobicContact CG1-CE2 3.51Å | ||
| 339 | E | 36.8 | Very low | 35.3 | Very low | 184 Ų | 184 | 160.4 Ų | 160.4 | 86% | 0.86 | 84% | 0.842 | S | S | * | * | trans | -90.3 | 156.6 | -156.5 | -168.1 | 172.4 | -172 | 0 | 0 | 112.3 | G341 | E339-G341 PolarHBondContact O-N 3.33Š| ||
| 340 | W | 29 | Very low | 35.6 | Very low | 266 Ų | 266 | 160.5 Ų | 160.5 | 100% | 1.008 | 84% | 0.84 | S | S | * | * | trans | -59.2 | 124.9 | 178.4 | -99.5 | 27.8 | 0 | 0 | 0 | 112.7 | ||||
| 341 | G | 35 | Very low | 35.4 | Very low | 74 Ų | 74 | 156.7 Ų | 156.7 | 76% | 0.763 | 83% | 0.829 | S | S | * | * | trans | -131.8 | 119.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | E339 | E339-G341 PolarHBondContact O-N 3.33Š| ||
| 342 | K | 33.1 | Very low | 35.7 | Very low | 198 Ų | 198 | 158.1 Ų | 158.1 | 86% | 0.861 | 83% | 0.828 | S | S | * | * | trans | -48.9 | 142.5 | 171.8 | -64.9 | 166.7 | 176 | 172.4 | 0 | 110.9 | ||||
| 343 | D | 38.6 | Very low | 35.9 | Very low | 157 Ų | 157 | 158.5 Ų | 158.5 | 84% | 0.84 | 82% | 0.818 | S | S | * | * | -163.8 | 136.6 | 124.9 | -96.8 | -22 | 0 | 0 | 0 | 111.7 | |||||
| 344 | D | 34 | Very low | 36.2 | Very low | 151 Ų | 151 | 157.5 Ų | 157.5 | 81% | 0.807 | 81% | 0.813 | S | S | * | * | trans | -62.2 | 127.8 | 176.1 | -58.6 | -57.4 | 0 | 0 | 0 | 110 | ||||
| 345 | N | 40.5 | Very low | 36.1 | Very low | 155 Ų | 155 | 159.1 Ų | 159.1 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | trans | -154.1 | 126.6 | 146.9 | -113.6 | -35.7 | 0 | 0 | 0 | 112.8 | ||||
| 346 | E | 34.2 | Very low | 36.1 | Very low | 175 Ų | 175 | 157.7 Ų | 157.7 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -53.6 | 124 | 175.6 | -58.5 | 169 | 160.2 | 0 | 0 | 109.9 | ||||
| 347 | N | 39.8 | Very low | 36 | Very low | 165 Ų | 165 | 159.4 Ų | 159.4 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | trans | -150 | 116.2 | 155.7 | -95.3 | -36.5 | 0 | 0 | 0 | 110 | ||||
| 348 | E | 42.2 | Very low | 36 | Very low | 181 Ų | 181 | 162 Ų | 162 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -59.7 | 148.5 | -179.5 | -64 | -166.4 | 140 | 0 | 0 | 112.9 | V350 | E348-V350 PolarHBondContact O-N 3.48Š| ||
| 349 | P | 43.1 | Very low | 35.9 | Very low | 124 Ų | 124 | 155.4 Ų | 155.4 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | trans | -77.1 | 117.9 | 167.7 | 30.8 | -28.9 | 0 | 0 | 0 | 109.8 | N351 | P349-N351 PolarHBondContact O-N 3.38Å; P349-N351 VanDerWaalsContact O-N 3.1Å | ||
| 350 | V | 40.5 | Very low | 35.6 | Very low | 126 Ų | 126 | 152.6 Ų | 152.6 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | trans | -56.7 | 111.1 | 171.6 | -172.8 | 0 | 0 | 0 | 0 | 109.2 | E348 Y352 | E348-V350 PolarHBondContact O-N 3.48Å; V350-Y352 HydrophobicContact CG1-CD2 4.36Å; V350-Y352 HydrophobicContact CG1-CE2 4.23Å; V350-Y352 PolarHBondContact O-N 3.42Å | ||
| 351 | N | 36.4 | Very low | 35.8 | Very low | 132 Ų | 132 | 147.3 Ų | 147.3 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -87.2 | 99.9 | -178.7 | -159.1 | 7.8 | 0 | 0 | 0 | 109 | P349 M353 | P349-N351 PolarHBondContact O-N 3.38Å; P349-N351 VanDerWaalsContact O-N 3.1Å; N351-M353 VanDerWaalsContact C-N 3.25Å; N351-M353 PolarHBondContact O-N 3.45Å | ||
| 352 | Y | 39 | Very low | 35.7 | Very low | 219 Ų | 219 | 153.8 Ų | 153.8 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | trans | -73.5 | 83.6 | 167.3 | -87.8 | -87.6 | 0 | 0 | 0 | 109.4 | V350 | V350-Y352 HydrophobicContact CG1-CD2 4.36Å; V350-Y352 HydrophobicContact CG1-CE2 4.23Å; V350-Y352 PolarHBondContact O-N 3.42Å | ||
| 353 | M | 34.4 | Very low | 35.8 | Very low | 141 Ų | 141 | 151.9 Ų | 151.9 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | trans | -74.5 | 123.9 | 151.5 | -76.2 | -171.8 | 172.4 | 0 | 0 | 107.8 | N351 | N351-M353 VanDerWaalsContact C-N 3.25Å; N351-M353 PolarHBondContact O-N 3.45Å | ||
| 354 | N | 34.5 | Very low | 35.5 | Very low | 142 Ų | 142 | 149.8 Ų | 149.8 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | 157.3 | 107.2 | 130.8 | -76 | -22.2 | 0 | 0 | 0 | 110.2 | ||||
| 355 | N | 33.9 | Very low | 35.6 | Very low | 150 Ų | 150 | 147.6 Ų | 147.6 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | -173.4 | 84.1 | 117.9 | -91 | -12.3 | 0 | 0 | 0 | 109.7 | L357 | N355-L357 VanDerWaalsContact C-N 3.31Å; N355-L357 PolarHBondContact O-N 3.11Å; N355-L357 VanDerWaalsContact O-N 3.12Å | |||
| 356 | T | 30.2 | Very low | 35.5 | Very low | 129 Ų | 129 | 145.9 Ų | 145.9 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -69.7 | 91.3 | 155.5 | -58.9 | 0 | 0 | 0 | 0 | 107.3 | H358 | T356-H358 PolarHBondContact O-N 3.4Š| ||
| 357 | L | 35.2 | Very low | 35.6 | Very low | 157 Ų | 157 | 144.5 Ų | 144.5 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -80.1 | 95.9 | 161.3 | -92.1 | 163.8 | 0 | 0 | 0 | 108 | N355 A359 | N355-L357 VanDerWaalsContact C-N 3.31Å; N355-L357 PolarHBondContact O-N 3.11Å; N355-L357 VanDerWaalsContact O-N 3.12Å; L357-A359 VanDerWaalsContact C-N 3.27Å; L357-A359 PolarHBondContact O-N 3.21Å | ||
| 358 | H | 29.8 | Very low | 35.6 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -64.8 | 86.6 | 163.8 | -123.6 | -62.7 | 0 | 0 | 0 | 108.2 | T356 T360 | T356-H358 PolarHBondContact O-N 3.4Å; H358-T360 PolarHBondContact O-N 2.96Å | ||
| 359 | A | 33.2 | Very low | 35.2 | Very low | 81 Ų | 81 | 138.5 Ų | 138.5 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | trans | -84.1 | 93.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | L357 E361 | L357-A359 VanDerWaalsContact C-N 3.27Å; L357-A359 PolarHBondContact O-N 3.21Å; A359-E361 PolarHBondContact O-N 3.14Å | ||
| 360 | T | 30.5 | Very low | 34.7 | Very low | 125 Ų | 125 | 136 Ų | 136 | 77% | 0.767 | 75% | 0.752 | S | S | * | * | trans | -70.8 | 82.9 | 163.2 | 45.6 | 0 | 0 | 0 | 0 | 108.8 | H358 | H358-T360 PolarHBondContact O-N 2.96Š| ||
| 361 | E | 34.5 | Very low | 34.3 | Very low | 154 Ų | 154 | 135.8 Ų | 135.8 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | trans | -94.6 | 103.5 | 165.1 | -74.6 | -174.9 | 160.8 | 0 | 0 | 108.8 | A359 E363 | A359-E361 PolarHBondContact O-N 3.14Å; E361-E363 HydrophobicContact CB-CG 4.38Å; E361-E363 PolarHBondContact O-N 3.18Å | ||
| 362 | K | 31.7 | Very low | 34.5 | Very low | 211 Ų | 211 | 138 Ų | 138 | 92% | 0.917 | 75% | 0.754 | S | S | * | * | trans | -67.7 | 80.8 | 159.4 | -77.5 | 179.4 | 174.4 | 176.5 | 0 | 107.7 | S364 | K362-S364 PolarHBondContact O-N 3.04Š| ||
| 363 | E | 34.8 | Very low | 34.1 | Very low | 157 Ų | 157 | 139.9 Ų | 139.9 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -87.5 | 104.6 | 162.8 | -70.5 | -156.6 | 145.8 | 0 | 0 | 108.8 | E361 S365 | E361-E363 HydrophobicContact CB-CG 4.38Å; E361-E363 PolarHBondContact O-N 3.18Å; E363-S365 PolarHBondContact O-N 3.1Å; E363-S365 VanDerWaalsContact O-N 3.1Å | ||
| 364 | S | 32.9 | Very low | 34 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -56.2 | 109.8 | 164.1 | 53.7 | 0 | 0 | 0 | 0 | 108.7 | K362 P366 | K362-S364 PolarHBondContact O-N 3.04Å; S364-P366 WeakPolarHBondContact O-CD 3.33Å | ||
| 365 | S | 37.5 | Very low | 34 | Very low | 105 Ų | 105 | 139.7 Ų | 139.7 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 124.2 | 172.9 | -47.6 | 0 | 0 | 0 | 0 | 109.6 | E363 D367 | E363-S365 PolarHBondContact O-N 3.1Å; E363-S365 VanDerWaalsContact O-N 3.1Å; S365-D367 PolarHBondContact O-N 3.33Å |
| 366 | P | 36.4 | Very low | 34 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 120.4 | 159 | 29 | -25.8 | 0 | 0 | 0 | 106.9 | S364 | S364-P366 WeakPolarHBondContact O-CD 3.33Š|
| 367 | D | 37.2 | Very low | 34.3 | Very low | 146 Ų | 146 | 139.8 Ų | 139.8 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 131.7 | 173.4 | -77.1 | -42.3 | 0 | 0 | 0 | 110.1 | S365 S369 | S365-D367 PolarHBondContact O-N 3.33Å; D367-S369 PolarHBondContact O-N 3Å |
| 368 | P | 39.7 | Very low | 34.2 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | trans | -67.1 | 104.1 | 168.9 | 27.7 | -29.9 | 0 | 0 | 0 | 107.2 | C370 | P368-C370 PolarHBondContact O-N 3.26Š| ||
| 369 | S | 33.2 | Very low | 34.5 | Very low | 104 Ų | 104 | 137.5 Ų | 137.5 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -64.2 | 78.3 | 163.9 | 56.9 | 0 | 0 | 0 | 0 | 109.2 | D367 | D367-S369 PolarHBondContact O-N 3Š| ||
| 370 | C | 33.2 | Very low | 34.6 | Very low | 73 Ų | 73 | 141.5 Ų | 141.5 | 49% | 0.493 | 78% | 0.78 | S | S | . | * | trans | -125.7 | 94.5 | 165.3 | -156.5 | 0 | 0 | 0 | 0 | 104.9 | P368 W372 | P368-C370 PolarHBondContact O-N 3.26Å; C370-W372 PolarHBondContact O-N 3.23Å; C370-W372 PolarHBondContact O-NE1 2.79Å | ||
| 371 | S | 32.5 | Very low | 34.9 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | -62.6 | 117.1 | 171 | 50.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 372 | W | 39.4 | Very low | 34.9 | Very low | 177 Ų | 177 | 141.8 Ų | 141.8 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | -93.7 | 115.5 | 171.9 | -59.5 | 93.1 | 0 | 0 | 0 | 107.3 | V283 C370 | V283-W372 HydrophobicContact CG1-CZ3 4.48Å; C370-W372 PolarHBondContact O-N 3.23Å; C370-W372 PolarHBondContact O-NE1 2.79Å | ||
| 373 | E | 30.7 | Very low | 35.2 | Very low | 260 Ų | 260 | 135.5 Ų | 135.5 | 100% | 1.215 | 77% | 0.774 | S | S | * | * | trans | -97 | 0 | 156 | -83.3 | -174.5 | 157.2 | 0 | 0 | 109.2 |
Retrieved 373 of 373 residues in 261.2 ms
(Link to these results)