| 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 | P | 38.1 | Very low | 45.1 | Very low | 177 Ų | 177 | 163.9 Ų | 163.9 | 100% | 1.149 | 88% | 0.876 | S | S | * | * | 0 | 128.7 | 0 | 17 | -32.9 | 0 | 0 | 0 | 108.8 | |||||
| 2 | P | 43.8 | Very low | 45.4 | Very low | 135 Ų | 135 | 158.7 Ų | 158.7 | 88% | 0.877 | 86% | 0.862 | S | S | * | * | trans | -80.9 | 155.6 | 178 | 33.8 | -31.3 | 0 | 0 | 0 | 111.3 | ||||
| 3 | G | 47.5 | Very low | 46.1 | Very low | 75 Ų | 75 | 164.9 Ų | 164.9 | 77% | 0.773 | 87% | 0.865 | S | S | * | * | trans | -100.4 | -172.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 4 | P | 47.6 | Very low | 46.6 | Very low | 132 Ų | 132 | 164.8 Ų | 164.8 | 86% | 0.857 | 87% | 0.865 | S | S | * | * | trans | -132.9 | 150.1 | 157.9 | 36.4 | -21.5 | 0 | 0 | 0 | 114 | ||||
| 5 | G | 42.1 | Very low | 47.3 | Very low | 65 Ų | 65 | 162.5 Ų | 162.5 | 67% | 0.67 | 86% | 0.861 | S | S | * | * | 89.8 | 103.7 | 127.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 6 | T | 49.3 | Very low | 48 | Very low | 147 Ų | 147 | 167.5 Ų | 167.5 | 90% | 0.902 | 87% | 0.865 | S | S | * | * | trans | 57.3 | 128.1 | 132.7 | 44.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 7 | R | 46.8 | Very low | 48.1 | Very low | 238 Ų | 238 | 171.5 Ų | 171.5 | 90% | 0.898 | 87% | 0.866 | S | S | * | * | 171.9 | 118.7 | 97.2 | -165.8 | 166 | -172.5 | -130.4 | 2.9 | 111 | |||||
| 8 | W | 38.6 | Very low | 48.4 | Very low | 245 Ų | 245 | 169.1 Ų | 169.1 | 93% | 0.928 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 129.9 | 171.6 | -69.3 | 92.6 | 0 | 0 | 0 | 110.4 | Y10 | W8-Y10 PolarHBondContact O-N 2.98Š|
| 9 | P | 48 | Very low | 48.1 | Very low | 118 Ų | 118 | 170.2 Ų | 170.2 | 77% | 0.766 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 117.7 | 170.7 | 30.2 | -28.1 | 0 | 0 | 0 | 109.9 | R11 | P9-R11 PolarHBondContact O-N 3.18Š|
| 10 | Y | 40.5 | Very low | 48.2 | Very low | 228 Ų | 228 | 167.5 Ų | 167.5 | 89% | 0.894 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 120.6 | 168.6 | -152.2 | -96.9 | 0 | 0 | 0 | 108.5 | W8 | W8-Y10 PolarHBondContact O-N 2.98Š|
| 11 | R | 53.4 | Low | 48.7 | Very low | 243 Ų | 243 | 168.1 Ų | 168.1 | 92% | 0.917 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 123.8 | 173 | -107.8 | -174.2 | 177.8 | -172.4 | -0.1 | 110.2 | P9 | P9-R11 PolarHBondContact O-N 3.18Š|
| 12 | S | 49.3 | Very low | 49.4 | Very low | 101 Ų | 101 | 165.5 Ų | 165.5 | 71% | 0.706 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 148.9 | -177.9 | -59.4 | 0 | 0 | 0 | 0 | 113.7 | D14 | S12-D14 PolarHBondContact O-N 2.91Š|
| 13 | R | 54.7 | Low | 50 | Low | 240 Ų | 240 | 168.2 Ų | 168.2 | 91% | 0.906 | 84% | 0.843 | S | S | * | * | trans | -70.4 | 111.1 | 172.1 | -86.3 | 175.3 | 162.2 | 163.9 | -6.1 | 110.6 | ||||
| 14 | D | 52.6 | Low | 50.4 | Low | 163 Ų | 163 | 173.3 Ų | 173.3 | 87% | 0.872 | 85% | 0.847 | S | S | * | * | trans | -94.1 | 124 | 163 | -88.5 | -60.1 | 0 | 0 | 0 | 110.2 | S12 | S12-D14 PolarHBondContact O-N 2.91Š| ||
| 15 | T | 57.4 | Low | 50.8 | Low | 131 Ų | 131 | 172.3 Ų | 172.3 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | trans | -101.6 | 34 | -169.3 | 44.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 16 | R | 58.8 | Low | 51.5 | Low | 242 Ų | 242 | 175.4 Ų | 175.4 | 91% | 0.913 | 85% | 0.848 | S | S | * | * | trans | -147.9 | 82.2 | 176.2 | -81.9 | -178 | -173.6 | -178 | 1.9 | 112.5 | ||||
| 17 | R | 48.7 | Very low | 51.8 | Low | 236 Ų | 236 | 178 Ų | 178 | 89% | 0.891 | 85% | 0.85 | S | S | * | * | trans | -151.4 | 111.2 | 153 | -139.5 | 173.8 | -172.4 | -162.7 | 0.2 | 108.7 | F19 | R17-F19 PolarHBondContact O-N 2.79Å; R17-F19 VanDerWaalsContact O-N 3.12Å | ||
| 18 | S | 54 | Low | 52 | Low | 127 Ų | 127 | 170.7 Ų | 170.7 | 89% | 0.888 | 85% | 0.849 | S | S | * | * | trans | -54.9 | 113.3 | 176.7 | -49.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 19 | F | 42 | Very low | 52.1 | Low | 191 Ų | 191 | 162 Ų | 162 | 84% | 0.838 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 133.8 | 167.1 | -115.6 | -100.9 | 0 | 0 | 0 | 107.1 | R17 E21 | R17-F19 PolarHBondContact O-N 2.79Å; R17-F19 VanDerWaalsContact O-N 3.12Å; F19-E21 PolarHBondContact O-N 3.17Å |
| 20 | P | 51.7 | Low | 52.5 | Low | 116 Ų | 116 | 162.9 Ų | 162.9 | 75% | 0.753 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 133.3 | 175.3 | 24.7 | -30.7 | 0 | 0 | 0 | 109.6 | ||
| 21 | E | 58.6 | Low | 53 | Low | 181 Ų | 181 | 162 Ų | 162 | 85% | 0.846 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -57 | 136.5 | 175.6 | -81.2 | 154.8 | 83.9 | 0 | 0 | 110.4 | F19 E23 | F19-E21 PolarHBondContact O-N 3.17Å; E21-E23 PolarHBondContact O-N 3.29Å |
| 22 | P | 52.5 | Low | 53 | Low | 121 Ų | 121 | 154.1 Ų | 154.1 | 79% | 0.786 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 126.1 | 170.5 | 28.1 | -29.7 | 0 | 0 | 0 | 109 | E24 | P22-E24 PolarHBondContact O-N 3.46Š|
| 23 | E | 56.2 | Low | 53.3 | Low | 192 Ų | 192 | 153.1 Ų | 153.1 | 90% | 0.897 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -59 | 130.1 | 178.9 | -57.2 | -165.7 | 102.5 | 0 | 0 | 110.8 | E21 | E21-E23 PolarHBondContact O-N 3.29Š|
| 24 | E | 54.9 | Low | 53.2 | Low | 183 Ų | 183 | 146.7 Ų | 146.7 | 86% | 0.855 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 132.2 | 176.9 | -61.1 | -163.3 | 103.8 | 0 | 0 | 110.4 | P22 | P22-E24 PolarHBondContact O-N 3.46Š|
| 25 | P | 57 | Low | 53.3 | Low | 110 Ų | 110 | 145.8 Ų | 145.8 | 71% | 0.714 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 143.1 | 172.3 | 29.9 | -31.8 | 0 | 0 | 0 | 109.6 | E27 | P25-E27 PolarHBondContact O-N 2.95Š|
| 26 | P | 57 | Low | 53.1 | Low | 130 Ų | 130 | 143.9 Ų | 143.9 | 84% | 0.844 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 130.9 | -177.6 | 26.4 | -32.9 | 0 | 0 | 0 | 111.1 | ||
| 27 | E | 55.9 | Low | 53.5 | Low | 201 Ų | 201 | 138.7 Ų | 138.7 | 94% | 0.939 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -64.8 | 135 | 171.3 | -64.6 | -166.2 | 98.9 | 0 | 0 | 111.2 | P25 | P25-E27 PolarHBondContact O-N 2.95Š|
| 28 | G | 50.8 | Low | 54.2 | Low | 85 Ų | 85 | 130.9 Ų | 130.9 | 88% | 0.876 | 78% | 0.784 | S | S | * | * | trans | 113.1 | 74.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 29 | G | 40 | Very low | 54.3 | Low | 64 Ų | 64 | 131.8 Ų | 131.8 | 66% | 0.66 | 77% | 0.769 | S | S | * | * | trans | -159.4 | 84.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y31 | G29-Y31 PolarHBondContact O-N 2.96Å; G29-Y31 VanDerWaalsContact O-N 3.11Å | ||
| 30 | S | 55.5 | Low | 55.5 | Low | 136 Ų | 136 | 129.4 Ų | 129.4 | 95% | 0.951 | 76% | 0.761 | S | S | * | * | trans | -58.9 | 106.2 | 172.2 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 31 | Y | 51.8 | Low | 55.7 | Low | 208 Ų | 208 | 129.9 Ų | 129.9 | 82% | 0.816 | 75% | 0.753 | S | S | * | * | trans | -141.3 | 139.4 | 156.2 | 73.5 | -88.7 | 0 | 0 | 0 | 110.1 | G29 | G29-Y31 PolarHBondContact O-N 2.96Å; G29-Y31 VanDerWaalsContact O-N 3.11Å | ||
| 32 | A | 54.4 | Low | 55.9 | Low | 78 Ų | 78 | 122.9 Ų | 122.9 | 65% | 0.645 | 72% | 0.721 | S | S | * | * | trans | -54.5 | 145.1 | -162.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S34 | A32-S34 PolarHBondContact O-N 2.78Å; A32-S34 PolarHBondContact O-OG 2.04Å | ||
| 33 | G | 54.8 | Low | 56.1 | Low | 81 Ų | 81 | 124 Ų | 124 | 84% | 0.835 | 72% | 0.716 | S | S | * | * | trans | -46.4 | 124.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 34 | S | 52.2 | Low | 55.9 | Low | 105 Ų | 105 | 118.8 Ų | 118.8 | 73% | 0.734 | 71% | 0.706 | S | S | * | * | trans | -145 | 126.1 | 167.7 | -42.3 | 0 | 0 | 0 | 0 | 107.2 | A32 | A32-S34 PolarHBondContact O-N 2.78Å; A32-S34 PolarHBondContact O-OG 2.04Å | ||
| 35 | L | 54.9 | Low | 56 | Low | 144 Ų | 144 | 117.6 Ų | 117.6 | 75% | 0.754 | 70% | 0.7 | S | S | * | * | cis | -167.5 | 135.7 | -19.2 | -112.4 | 156.2 | 0 | 0 | 0 | 101.3 | E37 | L35-E37 PolarHBondContact O-N 3.39Š| ||
| 36 | A | 53.4 | Low | 55.9 | Low | 91 Ų | 91 | 117.2 Ų | 117.2 | 75% | 0.752 | 69% | 0.689 | S | S | * | * | trans | -67.8 | 103.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 37 | E | 67.3 | Low | 56.3 | Low | 132 Ų | 132 | 111.5 Ų | 111.5 | 62% | 0.617 | 65% | 0.652 | S | S | * | * | trans | -82.2 | 106.1 | 158.7 | -78.3 | -64.7 | 111.2 | 0 | 0 | 106.2 | L35 | L35-E37 PolarHBondContact O-N 3.39Š| ||
| 38 | P | 63.4 | Low | 56.5 | Low | 73 Ų | 73 | 105.4 Ų | 105.4 | 47% | 0.474 | 64% | 0.643 | S | S | . | * | S | Bend | -136.7 | 155.6 | 86 | 23.5 | -2.5 | 0 | 0 | 0 | 112.8 | |||
| 39 | Y | 56.6 | Low | 56.9 | Low | 146 Ų | 146 | 104.4 Ų | 104.4 | 57% | 0.573 | 62% | 0.617 | S | S | * | * | trans | 79.9 | 85.9 | 172.5 | -24.1 | -69 | 0 | 0 | 0 | 114 | E41 | Y39-E41 PolarHBondContact O-N 3.41Å; Y39-E41 VanDerWaalsContact O-N 3.15Å | ||
| 40 | E | 65.7 | Low | 57.7 | Low | 140 Ų | 140 | 109.4 Ų | 109.4 | 65% | 0.654 | 63% | 0.628 | S | S | * | * | trans | -51.4 | 120.5 | 161.3 | -66.5 | -163.5 | 112.9 | 0 | 0 | 109.5 | L42 | E40-L42 PolarHBondContact O-N 3.43Š| ||
| 41 | E | 57.1 | Low | 58 | Low | 127 Ų | 127 | 109.7 Ų | 109.7 | 59% | 0.593 | 62% | 0.618 | S | S | * | * | B | Isolated β-bridge | trans | -73.1 | 107.6 | 174.8 | -122 | 152.6 | 95.8 | 0 | 0 | 108 | Y39 R57 | Y39-E41 PolarHBondContact O-N 3.41Å; Y39-E41 VanDerWaalsContact O-N 3.15Å; E41-R57 IonicContact OE1-CZ 3.51Å; E41-R57 IonicContact OE1-NE 3.87Å; E41-R57 IonicContact OE1-NH1 2.97Å; E41-R57 PolarHBondContact OE1-NH1 3.23Å; E41-R57 IonicContact OE2-CZ 3.69Å; E41-R57 IonicContact OE2-NH1 2.64Å; E41-R57 PolarHBondContact OE2-NH1 3.18Å |
| 42 | L | 61.8 | Low | 58.8 | Low | 34 Ų | 34 | 100.7 Ų | 100.7 | 18% | 0.178 | 59% | 0.589 | C | S | . | * | trans | -90.5 | 143.7 | -177.8 | -63 | 171.8 | 0 | 0 | 0 | 110.7 | E40 E46 R60 F65 | E40-L42 PolarHBondContact O-N 3.43Å; L42-E46 HydrophobicContact CB-CB 4.39Å; L42-E46 HydrophobicContact CD1-CG 4.39Å; L42-R60 HydrophobicContact CD1-CB 3.68Å; L42-F65 HydrophobicContact CD1-CE1 4.34Å | ||
| 43 | E | 56.8 | Low | 59.7 | Low | 145 Ų | 145 | 98.2 Ų | 98.2 | 68% | 0.678 | 57% | 0.567 | S | S | * | * | trans | -66.1 | 150.3 | 173.1 | -67.5 | -179.1 | 115.5 | 0 | 0 | 110.8 | E45 E46 | E43-E45 HydrophobicContact CB-CG 4.11Å; E43-E45 PolarHBondContact O-N 3.3Å; E43-E46 PolarHBondContact O-N 3.19Å | ||
| 44 | A | 53.5 | Low | 60.8 | Low | 82 Ų | 82 | 97.9 Ų | 97.9 | 68% | 0.678 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -25.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | C47 | A44-C47 WeakPolarHBondContact O-CB 3.46Š|
| 45 | E | 55.3 | Low | 62.2 | Low | 158 Ų | 158 | 96.6 Ų | 96.6 | 74% | 0.738 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -29.3 | 178 | 55.2 | -164.6 | 121.3 | 0 | 0 | 114.4 | E43 C47 | E43-E45 HydrophobicContact CB-CG 4.11Å; E43-E45 PolarHBondContact O-N 3.3Å; E45-C47 VanDerWaalsContact C-N 3.29Å; E45-C47 PolarHBondContact O-N 3.1Å |
| 46 | E | 56.7 | Low | 63.4 | Low | 101 Ų | 101 | 90.3 Ų | 90.3 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -13.5 | 179.8 | -167 | 153.4 | 171.2 | 0 | 0 | 113 | L42 E43 G48 R60 | L42-E46 HydrophobicContact CB-CB 4.39Å; L42-E46 HydrophobicContact CD1-CG 4.39Å; E43-E46 PolarHBondContact O-N 3.19Å; E46-G48 VanDerWaalsContact C-N 3.33Å; E46-R60 IonicContact OE1-CZ 3.99Å; E46-R60 IonicContact OE1-NH2 2.77Å; E46-R60 PolarHBondContact OE1-NH2 3Å |
| 47 | C | 64.5 | Low | 64.6 | Low | 11 Ų | 11 | 90 Ų | 90 | 7% | 0.074 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -18.3 | 176.5 | -158.1 | 0 | 0 | 0 | 0 | 112.5 | A44 E45 I49 C58 | A44-C47 WeakPolarHBondContact O-CB 3.46Å; E45-C47 VanDerWaalsContact C-N 3.29Å; E45-C47 PolarHBondContact O-N 3.1Å; C47-I49 HydrophobicContact CB-CB 4.33Å; C47-I49 WeakPolarHBondContact O-CG1 3.48Å; C47-I49 PolarHBondContact O-N 2.83Å; C47-I49 WeakPolarHBondContact SG-CD1 3.43Å; C47-C58 HydrophobicContact CB-CB 3.61Å; C47-C58 WeakPolarHBondContact CB-SG 3.4Å; C47-C58 WeakPolarHBondContact SG-CB 3.06Å; C47-C58 CovalentContact SG-SG 2.03Å; C47-C58 PolarHBondContact SG-SG 3.11Å |
| 48 | G | 60.8 | Low | 65.2 | Low | 73 Ų | 73 | 84.1 Ų | 84.1 | 75% | 0.753 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 11.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | E46 | E46-G48 VanDerWaalsContact C-N 3.33Š|
| 49 | I | 59.3 | Low | 65.8 | Low | 63 Ų | 63 | 81.3 Ų | 81.3 | 32% | 0.323 | 44% | 0.438 | S | S | . | . | trans | -102.7 | 95.3 | -176.5 | -70.4 | -179.4 | 0 | 0 | 0 | 106.9 | C47 D51 | C47-I49 HydrophobicContact CB-CB 4.33Å; C47-I49 WeakPolarHBondContact O-CG1 3.48Å; C47-I49 PolarHBondContact O-N 2.83Å; C47-I49 WeakPolarHBondContact SG-CD1 3.43Å; I49-D51 PolarHBondContact O-N 3.35Å; I49-D51 VanDerWaalsContact O-N 3.11Å | ||
| 50 | L | 56.9 | Low | 66.6 | Low | 170 Ų | 170 | 80.4 Ų | 80.4 | 89% | 0.89 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -61.7 | -18.9 | -174.9 | -171.5 | 60.9 | 0 | 0 | 0 | 113.5 | ||
| 51 | D | 61.8 | Low | 67.1 | Low | 141 Ų | 141 | 76.2 Ų | 76.2 | 75% | 0.754 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -159.3 | 9.5 | -175.2 | -113.6 | -17.7 | 0 | 0 | 0 | 116.3 | I49 | I49-D51 PolarHBondContact O-N 3.35Å; I49-D51 VanDerWaalsContact O-N 3.11Å |
| 52 | G | 66.8 | Low | 67.9 | Low | 19 Ų | 19 | 77 Ų | 77 | 20% | 0.196 | 43% | 0.434 | C | S | . | . | trans | -85.3 | -42.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | T54 M80 | G52-T54 PolarHBondContact O-N 3.4Å; G52-M80 CarbonylContact C-O 3.49Å; G52-M80 WeakPolarHBondContact CA-O 3.48Å | ||
| 53 | C | 73.6 | Confident | 68.6 | Low | 27 Ų | 27 | 84.7 Ų | 84.7 | 18% | 0.182 | 47% | 0.468 | C | S | . | . | trans | -85.8 | 47.5 | -176.2 | -58.5 | 0 | 0 | 0 | 0 | 113.5 | N55 G56 C67 | C53-N55 PolarHBondContact O-N 3.44Å; C53-G56 PolarHBondContact O-N 2.77Å; C53-C67 VanDerWaalsContact CA-SG 3.52Å; C53-C67 HydrophobicContact CB-CB 3.88Å; C53-C67 WeakPolarHBondContact CB-SG 3.25Å; C53-C67 WeakPolarHBondContact SG-CB 3.34Å; C53-C67 CovalentContact SG-SG 2.04Å; C53-C67 PolarHBondContact SG-SG 2.84Å | ||
| 54 | T | 78.6 | Confident | 69.5 | Low | 74 Ų | 74 | 79.1 Ų | 79.1 | 45% | 0.454 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 131.3 | 171.5 | 53.4 | 0 | 0 | 0 | 0 | 109.9 | G52 G56 C82 | G52-T54 PolarHBondContact O-N 3.4Å; T54-G56 VanDerWaalsContact C-N 3.33Å; T54-G56 PolarHBondContact O-N 2.81Å; T54-C82 VanDerWaalsContact O-CB 3.29Å; T54-C82 WeakPolarHBondContact O-CB 3.42Å |
| 55 | N | 81.4 | Confident | 70.6 | Confident | 77 Ų | 77 | 79.2 Ų | 79.2 | 41% | 0.412 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 28.7 | -173 | -47.2 | -64.8 | 0 | 0 | 0 | 115.7 | C53 F70 Y73 C82 | C53-N55 PolarHBondContact O-N 3.44Å; N55-F70 VanDerWaalsContact O-CD2 3.25Å; N55-F70 WeakPolarHBondContact O-CD2 3.08Å; N55-F70 PolarHBondContact O-N 2.03Å; N55-F70 VanDerWaalsContact O-N 3.14Å; N55-Y73 HydrophobicContact CB-CD1 3.35Å; N55-Y73 HydrophobicContact CB-CD2 4.34Å; N55-Y73 HydrophobicContact CB-CE1 3.43Å; N55-Y73 VanDerWaalsContact CB-CE1 3.43Å; N55-Y73 HydrophobicContact CB-CE2 4.42Å; N55-Y73 HydrophobicContact CB-CG 3.86Å; N55-C82 HydrophobicContact CB-CB 4.31Å |
| 56 | G | 79.3 | Confident | 71.6 | Confident | 13 Ų | 13 | 73.8 Ų | 73.8 | 13% | 0.134 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 178.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | C53 T54 R68 | C53-G56 PolarHBondContact O-N 2.77Å; T54-G56 VanDerWaalsContact C-N 3.33Å; T54-G56 PolarHBondContact O-N 2.81Å; G56-R68 CarbonylContact C-O 3.23Å; G56-R68 VanDerWaalsContact CA-O 3.28Å; G56-R68 WeakPolarHBondContact CA-O 3.48Å |
| 57 | R | 79.3 | Confident | 72.7 | Confident | 85 Ų | 85 | 69.1 Ų | 69.1 | 32% | 0.321 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 140.7 | 170.8 | 70.1 | -175.3 | 82.4 | 171.3 | -6.4 | 109.8 | E41 V59 C67 R68 | E41-R57 IonicContact OE1-CZ 3.51Å; E41-R57 IonicContact OE1-NE 3.87Å; E41-R57 IonicContact OE1-NH1 2.97Å; E41-R57 PolarHBondContact OE1-NH1 3.23Å; E41-R57 IonicContact OE2-CZ 3.69Å; E41-R57 IonicContact OE2-NH1 2.64Å; E41-R57 PolarHBondContact OE2-NH1 3.18Å; R57-V59 HydrophobicContact CG-CG1 4.27Å; R57-C67 CarbonylContact O-C 3.31Å; R57-R68 HydrophobicContact CG-CB 3.88Å; R57-R68 HydrophobicContact CG-CG 4.36Å; R57-R68 PolarHBondContact N-O 3.5Å; R57-R68 PolarHBondContact O-N 3.14Å |
| 58 | C | 79.3 | Confident | 73.6 | Confident | 7 Ų | 7 | 75.2 Ų | 75.2 | 5% | 0.047 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 137.3 | 174.7 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | C47 | C47-C58 HydrophobicContact CB-CB 3.61Å; C47-C58 WeakPolarHBondContact CB-SG 3.4Å; C47-C58 WeakPolarHBondContact SG-CB 3.06Å; C47-C58 CovalentContact SG-SG 2.03Å; C47-C58 PolarHBondContact SG-SG 3.11Å |
| 59 | V | 77.6 | Confident | 74.7 | Confident | 14 Ų | 14 | 73 Ų | 73 | 9% | 0.085 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 139.7 | 174.7 | -58.5 | 0 | 0 | 0 | 0 | 109.9 | R57 T66 R68 | R57-V59 HydrophobicContact CG-CG1 4.27Å; V59-T66 HydrophobicContact CG2-CG2 3.47Å; V59-T66 VanDerWaalsContact CG2-CG2 3.47Å; V59-T66 PolarHBondContact N-O 3.46Å; V59-T66 PolarHBondContact O-N 2.76Å; V59-R68 HydrophobicContact CG1-CB 4.1Å; V59-R68 HydrophobicContact CG2-CB 4.3Å |
| 60 | R | 72 | Confident | 75.8 | Confident | 127 Ų | 127 | 74.4 Ų | 74.4 | 48% | 0.479 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 135.9 | 177.8 | -173.7 | -176.6 | -69.4 | -99.5 | 6.9 | 110.1 | L42 E46 F65 | L42-R60 HydrophobicContact CD1-CB 3.68Å; E46-R60 IonicContact OE1-CZ 3.99Å; E46-R60 IonicContact OE1-NH2 2.77Å; E46-R60 PolarHBondContact OE1-NH2 3Å; R60-F65 HydrophobicContact CB-CD1 4.2Å; R60-F65 HydrophobicContact CB-CE1 4.27Å; R60-F65 HydrophobicContact CG-CD1 4.35Å; R60-F65 HydrophobicContact CG-CE1 4.13Å |
| 61 | V | 76.8 | Confident | 76.9 | Confident | 53 Ų | 53 | 74.3 Ų | 74.3 | 32% | 0.321 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 160.2 | 174.3 | -71.5 | 0 | 0 | 0 | 0 | 109.8 | E63 G64 T66 | V61-E63 PolarHBondContact O-N 3.05Å; V61-G64 PolarHBondContact N-O 2.59Å; V61-G64 CarbonylContact O-C 3.21Å; V61-G64 PolarHBondContact O-N 2.93Å; V61-T66 HydrophobicContact CG1-CG2 3.63Å; V61-T66 HydrophobicContact CG2-CG2 4.29Å |
| 62 | P | 74.8 | Confident | 77.7 | Confident | 144 Ų | 144 | 68.9 Ų | 68.9 | 94% | 0.935 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -25 | -178.7 | -25.7 | 34.7 | 0 | 0 | 0 | 114 | ||
| 63 | E | 76.2 | Confident | 78.3 | Confident | 194 Ų | 194 | 72.1 Ų | 72.1 | 91% | 0.907 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 7.5 | 177.7 | -59.5 | -170.8 | -179.9 | 0 | 0 | 113.7 | V61 | V61-E63 PolarHBondContact O-N 3.05Š|
| 64 | G | 75.1 | Confident | 78.7 | Confident | 28 Ų | 28 | 77.6 Ų | 77.6 | 29% | 0.289 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 131.6 | -113.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V61 | V61-G64 PolarHBondContact N-O 2.59Å; V61-G64 CarbonylContact O-C 3.21Å; V61-G64 PolarHBondContact O-N 2.93Å |
| 65 | F | 76.2 | Confident | 78.7 | Confident | 85 Ų | 85 | 76.9 Ų | 76.9 | 37% | 0.373 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 149.1 | -177.4 | -57 | -87.9 | 0 | 0 | 0 | 110.3 | L42 R60 | L42-F65 HydrophobicContact CD1-CE1 4.34Å; R60-F65 HydrophobicContact CB-CD1 4.2Å; R60-F65 HydrophobicContact CB-CE1 4.27Å; R60-F65 HydrophobicContact CG-CD1 4.35Å; R60-F65 HydrophobicContact CG-CE1 4.13Å |
| 66 | T | 76.3 | Confident | 78.4 | Confident | 43 Ų | 43 | 76.2 Ų | 76.2 | 26% | 0.264 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 150.6 | 175.5 | -167.3 | 0 | 0 | 0 | 0 | 110.8 | V59 V61 | V59-T66 HydrophobicContact CG2-CG2 3.47Å; V59-T66 VanDerWaalsContact CG2-CG2 3.47Å; V59-T66 PolarHBondContact N-O 3.46Å; V59-T66 PolarHBondContact O-N 2.76Å; V61-T66 HydrophobicContact CG1-CG2 3.63Å; V61-T66 HydrophobicContact CG2-CG2 4.29Å |
| 67 | C | 80.1 | Confident | 78 | Confident | 4 Ų | 4 | 84.4 Ų | 84.4 | 3% | 0.027 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 123.1 | 173.9 | -50.8 | 0 | 0 | 0 | 0 | 110 | C53 R57 L75 | C53-C67 VanDerWaalsContact CA-SG 3.52Å; C53-C67 HydrophobicContact CB-CB 3.88Å; C53-C67 WeakPolarHBondContact CB-SG 3.25Å; C53-C67 WeakPolarHBondContact SG-CB 3.34Å; C53-C67 CovalentContact SG-SG 2.04Å; C53-C67 PolarHBondContact SG-SG 2.84Å; R57-C67 CarbonylContact O-C 3.31Å; C67-L75 HydrophobicContact CB-CD2 3.91Å; C67-L75 WeakPolarHBondContact O-CD2 3.07Å |
| 68 | R | 83.6 | Confident | 77.7 | Confident | 138 Ų | 138 | 84.3 Ų | 84.3 | 52% | 0.521 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 108.6 | 165.1 | -180 | -179.5 | 178.5 | 116.1 | 2.3 | 108.8 | G56 R57 V59 | G56-R68 CarbonylContact C-O 3.23Å; G56-R68 VanDerWaalsContact CA-O 3.28Å; G56-R68 WeakPolarHBondContact CA-O 3.48Å; R57-R68 HydrophobicContact CG-CB 3.88Å; R57-R68 HydrophobicContact CG-CG 4.36Å; R57-R68 PolarHBondContact N-O 3.5Å; R57-R68 PolarHBondContact O-N 3.14Å; V59-R68 HydrophobicContact CG1-CB 4.1Å; V59-R68 HydrophobicContact CG2-CB 4.3Å |
| 69 | C | 84.4 | Confident | 77.2 | Confident | 27 Ų | 27 | 92.9 Ų | 92.9 | 18% | 0.182 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 150.6 | -179.2 | -54.1 | 0 | 0 | 0 | 0 | 112.6 | Y73 L75 C82 | C69-Y73 VanDerWaalsContact CB-O 3.27Å; C69-Y73 WeakPolarHBondContact CB-O 3.23Å; C69-L75 PolarHBondContact SG-N 2.71Å; C69-L75 VanDerWaalsContact SG-N 3.38Å; C69-C82 WeakPolarHBondContact CA-SG 3.4Å; C69-C82 HydrophobicContact CB-CB 3.65Å; C69-C82 WeakPolarHBondContact CB-SG 3.28Å; C69-C82 VanDerWaalsContact SG-CA 3.6Å; C69-C82 WeakPolarHBondContact SG-CB 3.22Å; C69-C82 CovalentContact SG-SG 2.04Å; C69-C82 PolarHBondContact SG-SG 3.23Å |
| 70 | F | 81.3 | Confident | 76.9 | Confident | 93 Ų | 93 | 98.3 Ų | 98.3 | 41% | 0.408 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -72 | 165.1 | 170.5 | -62.7 | -56.8 | 0 | 0 | 0 | 111.5 | N55 G72 Y73 | N55-F70 VanDerWaalsContact O-CD2 3.25Å; N55-F70 WeakPolarHBondContact O-CD2 3.08Å; N55-F70 PolarHBondContact O-N 2.03Å; N55-F70 VanDerWaalsContact O-N 3.14Å; F70-G72 PolarHBondContact O-N 3.31Å; F70-Y73 HydrophobicContact CB-CD2 4.47Å; F70-Y73 WeakPolarHBondContact O-CB 3.34Å; F70-Y73 PolarHBondContact O-N 3.12Å |
| 71 | D | 80.4 | Confident | 77 | Confident | 168 Ų | 168 | 93.7 Ų | 93.7 | 90% | 0.898 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 133.4 | 179 | -64.8 | -51.8 | 0 | 0 | 0 | 111.4 | Y73 | D71-Y73 VanDerWaalsContact C-N 3.35Å; D71-Y73 WeakPolarHBondContact O-CD2 3.04Å |
| 72 | G | 78.3 | Confident | 77.2 | Confident | 26 Ų | 26 | 91.3 Ų | 91.3 | 27% | 0.268 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 9.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | F70 A84 F85 S86 | F70-G72 PolarHBondContact O-N 3.31Å; G72-A84 CarbonylContact O-C 3.46Å; G72-A84 WeakPolarHBondContact O-CA 3.4Å; G72-F85 CarbonylContact C-O 3.59Å; G72-F85 VanDerWaalsContact C-O 3.29Å; G72-F85 WeakPolarHBondContact CA-O 3.36Å; G72-F85 CarbonylContact O-C 3.52Å; G72-F85 PolarHBondContact O-N 2.87Å; G72-S86 PolarHBondContact O-N 3.1Å |
| 73 | Y | 80 | Confident | 77.6 | Confident | 87 Ų | 87 | 87.5 Ų | 87.5 | 34% | 0.341 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 145.6 | 174.4 | -63.9 | -103 | 0 | 0 | 0 | 110.9 | N55 C69 F70 D71 V83 A84 | N55-Y73 HydrophobicContact CB-CD1 3.35Å; N55-Y73 HydrophobicContact CB-CD2 4.34Å; N55-Y73 HydrophobicContact CB-CE1 3.43Å; N55-Y73 VanDerWaalsContact CB-CE1 3.43Å; N55-Y73 HydrophobicContact CB-CE2 4.42Å; N55-Y73 HydrophobicContact CB-CG 3.86Å; C69-Y73 VanDerWaalsContact CB-O 3.27Å; C69-Y73 WeakPolarHBondContact CB-O 3.23Å; F70-Y73 HydrophobicContact CB-CD2 4.47Å; F70-Y73 WeakPolarHBondContact O-CB 3.34Å; F70-Y73 PolarHBondContact O-N 3.12Å; D71-Y73 VanDerWaalsContact C-N 3.35Å; D71-Y73 WeakPolarHBondContact O-CD2 3.04Å; Y73-V83 CarbonylContact C-O 3.58Å; Y73-V83 VanDerWaalsContact CA-O 3.22Å; Y73-V83 WeakPolarHBondContact CA-O 3.24Å; Y73-A84 VanDerWaalsContact CD1-CA 3.4Å; Y73-A84 HydrophobicContact CD1-CB 3.88Å; Y73-A84 VanDerWaalsContact CD1-N 3.31Å; Y73-A84 HydrophobicContact CE1-CB 3.58Å |
| 74 | R | 82.5 | Confident | 77.7 | Confident | 143 Ų | 143 | 80.7 Ų | 80.7 | 54% | 0.54 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 155.2 | 175.6 | 78.9 | -179.4 | 179.2 | -179.4 | 1.5 | 110.9 | D76 C82 V83 F85 | R74-D76 PolarHBondContact O-N 2.65Å; R74-C82 CarbonylContact O-C 3.27Å; R74-C82 WeakPolarHBondContact O-CA 3.48Å; R74-V83 HydrophobicContact CG-CG2 4.12Å; R74-V83 PolarHBondContact N-O 3Å; R74-V83 WeakPolarHBondContact O-CG2 3.34Å; R74-V83 PolarHBondContact O-N 3.05Å; R74-F85 HydrophobicContact CB-CB 3.98Å; R74-F85 HydrophobicContact CG-CB 3.73Å; R74-F85 HydrophobicContact CG-CD2 4.44Å; R74-F85 HydrophobicContact CG-CG 4.33Å; R74-F85 VanDerWaalsContact NH1-CD2 3.32Å |
| 75 | L | 77.8 | Confident | 77.5 | Confident | 59 Ų | 59 | 84.2 Ų | 84.2 | 31% | 0.309 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 132.8 | 171.5 | -75.5 | 171.7 | 0 | 0 | 0 | 110.2 | C67 C69 A81 | C67-L75 HydrophobicContact CB-CD2 3.91Å; C67-L75 WeakPolarHBondContact O-CD2 3.07Å; C69-L75 PolarHBondContact SG-N 2.71Å; C69-L75 VanDerWaalsContact SG-N 3.38Å; L75-A81 WeakPolarHBondContact CA-O 3.07Å |
| 76 | D | 76 | Confident | 76.8 | Confident | 63 Ų | 63 | 81.4 Ų | 81.4 | 34% | 0.337 | 41% | 0.408 | S | S | . | . | trans | -65.9 | 166 | 167.6 | -177.3 | 38.3 | 0 | 0 | 0 | 111.1 | R74 T78 R79 A81 V83 | R74-D76 PolarHBondContact O-N 2.65Å; D76-T78 PolarHBondContact O-N 2.03Å; D76-T78 PolarHBondContact OD2-OG1 3.2Å; D76-R79 WeakPolarHBondContact O-CA 3.2Å; D76-R79 PolarHBondContact O-N 3.02Å; D76-A81 PolarHBondContact N-O 3.5Å; D76-V83 HydrophobicContact CB-CG1 4.24Å | ||
| 77 | M | 70.1 | Confident | 75.7 | Confident | 184 Ų | 184 | 83.6 Ų | 83.6 | 91% | 0.906 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -25.7 | 179.5 | -60.8 | -64.4 | -94.3 | 0 | 0 | 112.7 | R79 | M77-R79 VanDerWaalsContact C-N 3.31Š|
| 78 | T | 72.1 | Confident | 74.5 | Confident | 83 Ų | 83 | 91 Ų | 91 | 51% | 0.509 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -8.8 | 175.4 | 56.1 | 0 | 0 | 0 | 0 | 114.1 | D76 M80 | D76-T78 PolarHBondContact O-N 2.03Å; D76-T78 PolarHBondContact OD2-OG1 3.2Å; T78-M80 WeakPolarHBondContact O-CG 3.17Å; T78-M80 PolarHBondContact O-N 2.89Å; T78-M80 VanDerWaalsContact O-N 3.12Å |
| 79 | R | 70 | Confident | 73.1 | Confident | 187 Ų | 187 | 91.2 Ų | 91.2 | 71% | 0.706 | 47% | 0.465 | S | S | * | . | S | Bend | trans | 56.3 | 17.4 | -175.4 | -59.8 | -174.3 | 178.3 | 176.3 | -0.7 | 115.3 | D76 M77 | D76-R79 WeakPolarHBondContact O-CA 3.2Å; D76-R79 PolarHBondContact O-N 3.02Å; M77-R79 VanDerWaalsContact C-N 3.31Å |
| 80 | M | 70 | Confident | 71.4 | Confident | 129 Ų | 129 | 95.1 Ų | 95.1 | 64% | 0.635 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -118.6 | -3 | -172.4 | -70.6 | 164.8 | 82.2 | 0 | 0 | 113.5 | G52 T78 | G52-M80 CarbonylContact C-O 3.49Å; G52-M80 WeakPolarHBondContact CA-O 3.48Å; T78-M80 WeakPolarHBondContact O-CG 3.17Å; T78-M80 PolarHBondContact O-N 2.89Å; T78-M80 VanDerWaalsContact O-N 3.12Å |
| 81 | A | 75.1 | Confident | 69.8 | Low | 30 Ų | 30 | 95.5 Ų | 95.5 | 25% | 0.248 | 50% | 0.497 | C | S | . | . | trans | -142.2 | 140.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L75 D76 | L75-A81 WeakPolarHBondContact CA-O 3.07Å; D76-A81 PolarHBondContact N-O 3.5Å | ||
| 82 | C | 81.3 | Confident | 68.2 | Low | 3 Ų | 3 | 91.9 Ų | 91.9 | 2% | 0.02 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 105.4 | 172.9 | -68.8 | 0 | 0 | 0 | 0 | 109.8 | T54 N55 C69 R74 | T54-C82 VanDerWaalsContact O-CB 3.29Å; T54-C82 WeakPolarHBondContact O-CB 3.42Å; N55-C82 HydrophobicContact CB-CB 4.31Å; C69-C82 WeakPolarHBondContact CA-SG 3.4Å; C69-C82 HydrophobicContact CB-CB 3.65Å; C69-C82 WeakPolarHBondContact CB-SG 3.28Å; C69-C82 VanDerWaalsContact SG-CA 3.6Å; C69-C82 WeakPolarHBondContact SG-CB 3.22Å; C69-C82 CovalentContact SG-SG 2.04Å; C69-C82 PolarHBondContact SG-SG 3.23Å; R74-C82 CarbonylContact O-C 3.27Å; R74-C82 WeakPolarHBondContact O-CA 3.48Å |
| 83 | V | 81.8 | Confident | 66.9 | Low | 63 Ų | 63 | 93.8 Ų | 93.8 | 38% | 0.382 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 142.6 | 178.5 | -64 | 0 | 0 | 0 | 0 | 109.9 | Y73 R74 D76 F85 | Y73-V83 CarbonylContact C-O 3.58Å; Y73-V83 VanDerWaalsContact CA-O 3.22Å; Y73-V83 WeakPolarHBondContact CA-O 3.24Å; R74-V83 HydrophobicContact CG-CG2 4.12Å; R74-V83 PolarHBondContact N-O 3Å; R74-V83 WeakPolarHBondContact O-CG2 3.34Å; R74-V83 PolarHBondContact O-N 3.05Å; D76-V83 HydrophobicContact CB-CG1 4.24Å; V83-F85 PolarHBondContact O-N 2.67Å |
| 84 | A | 79.6 | Confident | 65.6 | Low | 52 Ų | 52 | 92.5 Ų | 92.5 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 102.9 | 179 | 0 | 0 | 0 | 0 | 0 | 110.1 | G72 Y73 S86 | G72-A84 CarbonylContact O-C 3.46Å; G72-A84 WeakPolarHBondContact O-CA 3.4Å; Y73-A84 VanDerWaalsContact CD1-CA 3.4Å; Y73-A84 HydrophobicContact CD1-CB 3.88Å; Y73-A84 VanDerWaalsContact CD1-N 3.31Å; Y73-A84 HydrophobicContact CE1-CB 3.58Å; A84-S86 VanDerWaalsContact C-N 3.27Å; A84-S86 PolarHBondContact O-N 2.64Å |
| 85 | F | 69.9 | Low | 64.1 | Low | 101 Ų | 101 | 87.4 Ų | 87.4 | 44% | 0.443 | 48% | 0.482 | S | S | . | . | trans | -96.5 | 72 | 161.8 | -169.2 | -92.9 | 0 | 0 | 0 | 104.9 | G72 R74 V83 S87 | G72-F85 CarbonylContact C-O 3.59Å; G72-F85 VanDerWaalsContact C-O 3.29Å; G72-F85 WeakPolarHBondContact CA-O 3.36Å; G72-F85 CarbonylContact O-C 3.52Å; G72-F85 PolarHBondContact O-N 2.87Å; R74-F85 HydrophobicContact CB-CB 3.98Å; R74-F85 HydrophobicContact CG-CB 3.73Å; R74-F85 HydrophobicContact CG-CD2 4.44Å; R74-F85 HydrophobicContact CG-CG 4.33Å; R74-F85 VanDerWaalsContact NH1-CD2 3.32Å; V83-F85 PolarHBondContact O-N 2.67Å; F85-S87 PolarHBondContact O-N 2.7Å | ||
| 86 | S | 61.3 | Low | 63.3 | Low | 27 Ų | 27 | 90.2 Ų | 90.2 | 19% | 0.189 | 50% | 0.497 | C | S | . | . | trans | -40.4 | 113.1 | 172.1 | 46.3 | 0 | 0 | 0 | 0 | 107.5 | G72 A84 D88 R89 | G72-S86 PolarHBondContact O-N 3.1Å; A84-S86 VanDerWaalsContact C-N 3.27Å; A84-S86 PolarHBondContact O-N 2.64Å; S86-D88 PolarHBondContact O-N 2.75Å; S86-R89 VanDerWaalsContact C-N 3.34Å; S86-R89 CarbonylContact O-C 3.42Å; S86-R89 VanDerWaalsContact O-C 3.23Å; S86-R89 WeakPolarHBondContact O-CA 3.26Å; S86-R89 WeakPolarHBondContact O-CB 3.47Å; S86-R89 PolarHBondContact O-N 3.17Å; S86-R89 WeakPolarHBondContact OG-CB 3.01Å; S86-R89 WeakPolarHBondContact OG-CD 3.05Å; S86-R89 WeakPolarHBondContact OG-CG 3.12Å; S86-R89 PolarHBondContact OG-NE 3.38Å | ||
| 87 | S | 55.2 | Low | 62.5 | Low | 88 Ų | 88 | 89.2 Ų | 89.2 | 62% | 0.615 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -66.6 | -20.7 | 172.9 | -172.9 | 0 | 0 | 0 | 0 | 109.9 | F85 R89 C90 | F85-S87 PolarHBondContact O-N 2.7Å; S87-R89 PolarHBondContact O-N 2.79Å; S87-C90 PolarHBondContact O-N 2.83Å |
| 88 | D | 54 | Low | 62.4 | Low | 159 Ų | 159 | 82.9 Ų | 82.9 | 85% | 0.85 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -70.6 | -5.3 | 163 | -60.1 | -68 | 0 | 0 | 0 | 113.6 | S86 | S86-D88 PolarHBondContact O-N 2.75Š|
| 89 | R | 54.2 | Low | 62.2 | Low | 143 Ų | 143 | 79.8 Ų | 79.8 | 54% | 0.54 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -107 | 65.3 | 153.6 | -64.7 | -174.5 | -80.7 | -148.2 | -7.5 | 109.5 | S86 S87 L91 | S86-R89 VanDerWaalsContact C-N 3.34Å; S86-R89 CarbonylContact O-C 3.42Å; S86-R89 VanDerWaalsContact O-C 3.23Å; S86-R89 WeakPolarHBondContact O-CA 3.26Å; S86-R89 WeakPolarHBondContact O-CB 3.47Å; S86-R89 PolarHBondContact O-N 3.17Å; S86-R89 WeakPolarHBondContact OG-CB 3.01Å; S86-R89 WeakPolarHBondContact OG-CD 3.05Å; S86-R89 WeakPolarHBondContact OG-CG 3.12Å; S86-R89 PolarHBondContact OG-NE 3.38Å; S87-R89 PolarHBondContact O-N 2.79Å; R89-L91 HydrophobicContact CB-CB 4.17Å; R89-L91 HydrophobicContact CB-CD1 4.43Å; R89-L91 HydrophobicContact CG-CB 4.48Å; R89-L91 HydrophobicContact CG-CD1 3.82Å; R89-L91 PolarHBondContact O-N 3.11Å |
| 90 | C | 49.6 | Very low | 61.9 | Low | 109 Ų | 109 | 76.3 Ų | 76.3 | 74% | 0.736 | 44% | 0.437 | S | S | * | . | -59.9 | 79.4 | 108.8 | -71.6 | 0 | 0 | 0 | 0 | 105.8 | S87 P92 | S87-C90 PolarHBondContact O-N 2.83Å; C90-P92 VanDerWaalsContact C-CD 3.49Å; C90-P92 VanDerWaalsContact C-N 3.25Å; C90-P92 WeakPolarHBondContact O-CD 3.07Å; C90-P92 VanDerWaalsContact O-N 3.16Å | |||
| 91 | L | 47.2 | Very low | 61.4 | Low | 101 Ų | 101 | 76.1 Ų | 76.1 | 53% | 0.529 | 43% | 0.434 | S | S | . | . | trans | -65.5 | 108.3 | 150.9 | -138.4 | 70.9 | 0 | 0 | 0 | 98.8 | R89 S93 A94 | R89-L91 HydrophobicContact CB-CB 4.17Å; R89-L91 HydrophobicContact CB-CD1 4.43Å; R89-L91 HydrophobicContact CG-CB 4.48Å; R89-L91 HydrophobicContact CG-CD1 3.82Å; R89-L91 PolarHBondContact O-N 3.11Å; L91-S93 VanDerWaalsContact C-N 3.31Å; L91-S93 PolarHBondContact O-N 3.36Å; L91-S93 VanDerWaalsContact O-N 3.1Å; L91-A94 HydrophobicContact CD1-CB 4.16Å; L91-A94 HydrophobicContact CD2-CB 3.53Å; L91-A94 HydrophobicContact CG-CB 3.72Å | ||
| 92 | P | 47.2 | Very low | 60.5 | Low | 93 Ų | 93 | 75.3 Ų | 75.3 | 60% | 0.604 | 43% | 0.427 | S | S | * | . | trans | -47.2 | 124.4 | 136.1 | 28.1 | -31.2 | 0 | 0 | 0 | 102.3 | C90 A94 | C90-P92 VanDerWaalsContact C-CD 3.49Å; C90-P92 VanDerWaalsContact C-N 3.25Å; C90-P92 WeakPolarHBondContact O-CD 3.07Å; C90-P92 VanDerWaalsContact O-N 3.16Å; P92-A94 VanDerWaalsContact C-N 3.29Å; P92-A94 WeakPolarHBondContact O-CA 3.41Å; P92-A94 PolarHBondContact O-N 3.43Å | ||
| 93 | S | 50 | Low | 59.2 | Low | 66 Ų | 66 | 83.8 Ų | 83.8 | 46% | 0.462 | 47% | 0.466 | S | S | . | . | trans | -8.1 | 95.6 | 159.8 | 35.5 | 0 | 0 | 0 | 0 | 108.6 | L91 D95 | L91-S93 VanDerWaalsContact C-N 3.31Å; L91-S93 PolarHBondContact O-N 3.36Å; L91-S93 VanDerWaalsContact O-N 3.1Å; S93-D95 PolarHBondContact O-N 3.41Å | ||
| 94 | A | 52.4 | Low | 57.9 | Low | 59 Ų | 59 | 84.9 Ų | 84.9 | 49% | 0.488 | 48% | 0.482 | S | S | . | . | trans | -67 | 96.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 98.8 | L91 P92 I96 | L91-A94 HydrophobicContact CD1-CB 4.16Å; L91-A94 HydrophobicContact CD2-CB 3.53Å; L91-A94 HydrophobicContact CG-CB 3.72Å; P92-A94 VanDerWaalsContact C-N 3.29Å; P92-A94 WeakPolarHBondContact O-CA 3.41Å; P92-A94 PolarHBondContact O-N 3.43Å; A94-I96 VanDerWaalsContact C-N 3.25Å; A94-I96 PolarHBondContact O-N 3.28Å | ||
| 95 | D | 51.1 | Low | 56.4 | Low | 36 Ų | 36 | 86.4 Ų | 86.4 | 19% | 0.193 | 50% | 0.495 | C | S | . | . | trans | -54.2 | 106.5 | -167.6 | -99.6 | -70.2 | 0 | 0 | 0 | 104.2 | S93 N97 T117 D118 G119 | S93-D95 PolarHBondContact O-N 3.41Å; D95-N97 PolarHBondContact O-N 3.35Å; D95-T117 VanDerWaalsContact OD1-O 3.05Å; D95-D118 WeakPolarHBondContact OD2-CA 3.33Å; D95-G119 WeakPolarHBondContact OD1-CA 3.48Å; D95-G119 PolarHBondContact OD1-N 3.12Å; D95-G119 PolarHBondContact OD2-N 2.82Å | ||
| 96 | I | 61.3 | Low | 55.6 | Low | 119 Ų | 119 | 85.5 Ų | 85.5 | 61% | 0.61 | 50% | 0.501 | S | S | * | . | trans | -63.7 | 104.7 | 177.2 | -71.5 | 172.3 | 0 | 0 | 0 | 99.9 | A94 E98 E101 | A94-I96 VanDerWaalsContact C-N 3.25Å; A94-I96 PolarHBondContact O-N 3.28Å; I96-E98 HydrophobicContact CG2-CG 4.46Å; I96-E98 WeakPolarHBondContact O-CG 3.29Å; I96-E98 PolarHBondContact O-N 3.06Å; I96-E101 HydrophobicContact CG2-CG 4.48Å | ||
| 97 | N | 59.5 | Low | 55.6 | Low | 42 Ų | 42 | 89 Ų | 89 | 23% | 0.225 | 52% | 0.523 | C | S | . | . | trans | -67.8 | 93.3 | -177 | -178.7 | 8.7 | 0 | 0 | 0 | 105.9 | D95 C99 D100 E101 N116 | D95-N97 PolarHBondContact O-N 3.35Å; N97-C99 PolarHBondContact O-N 3.41Å; N97-C99 WeakPolarHBondContact OD1-CB 2.86Å; N97-C99 PolarHBondContact OD1-N 2.72Å; N97-C99 PolarHBondContact OD1-SG 3.38Å; N97-D100 HydrophobicContact CB-CB 4.26Å; N97-D100 WeakPolarHBondContact CB-OD2 3.18Å; N97-D100 PolarHBondContact ND2-OD1 3.02Å; N97-D100 VanDerWaalsContact ND2-OD1 3.17Å; N97-D100 PolarHBondContact ND2-OD2 2.97Å; N97-D100 PolarHBondContact O-N 2.86Å; N97-E101 PolarHBondContact O-N 3.44Å; N97-N116 WeakPolarHBondContact CA-ND2 3.22Å; N97-N116 WeakPolarHBondContact CB-ND2 3.43Å; N97-N116 VanDerWaalsContact OD1-CB 3.26Å; N97-N116 WeakPolarHBondContact OD1-CB 3.27Å; N97-N116 VanDerWaalsContact OD1-CG 3.31Å | ||
| 98 | E | 67.8 | Low | 56.2 | Low | 51 Ų | 51 | 87.9 Ų | 87.9 | 24% | 0.238 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -63.4 | -17.4 | -177.3 | -59.3 | 96.2 | 159.6 | 0 | 0 | 109.8 | I96 A102 L108 F121 | I96-E98 HydrophobicContact CG2-CG 4.46Å; I96-E98 WeakPolarHBondContact O-CG 3.29Å; I96-E98 PolarHBondContact O-N 3.06Å; E98-A102 VanDerWaalsContact O-CB 3.29Å; E98-A102 WeakPolarHBondContact O-CB 3.46Å; E98-A102 PolarHBondContact O-N 3.44Å; E98-L108 HydrophobicContact CB-CD1 3.7Å; E98-L108 WeakPolarHBondContact O-CD1 3.11Å; E98-F121 HydrophobicContact CB-CB 4.42Å; E98-F121 HydrophobicContact CB-CD1 3.71Å; E98-F121 HydrophobicContact CB-CE1 4.15Å; E98-F121 HydrophobicContact CB-CG 4.07Å; E98-F121 HydrophobicContact CG-CD1 3.86Å; E98-F121 HydrophobicContact CG-CE1 4.27Å; E98-F121 WeakPolarHBondContact OE2-CB 3.42Å |
| 99 | C | 67.2 | Low | 57.1 | Low | 18 Ų | 18 | 81.1 Ų | 81.1 | 12% | 0.122 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -68.1 | -31.3 | 169.8 | -48.8 | 0 | 0 | 0 | 0 | 114 | N97 C114 N116 | N97-C99 PolarHBondContact O-N 3.41Å; N97-C99 WeakPolarHBondContact OD1-CB 2.86Å; N97-C99 PolarHBondContact OD1-N 2.72Å; N97-C99 PolarHBondContact OD1-SG 3.38Å; C99-C114 WeakPolarHBondContact CA-SG 3.4Å; C99-C114 HydrophobicContact CB-CB 3.62Å; C99-C114 WeakPolarHBondContact CB-SG 3.46Å; C99-C114 WeakPolarHBondContact SG-CB 3.45Å; C99-C114 CovalentContact SG-SG 2.03Å; C99-C114 PolarHBondContact SG-SG 3.34Å; C99-N116 PolarHBondContact SG-N 2.83Å |
| 100 | D | 64.3 | Low | 58.1 | Low | 114 Ų | 114 | 77 Ų | 77 | 61% | 0.61 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -76.5 | -34.8 | 175.9 | -69.8 | -25.5 | 0 | 0 | 0 | 110.8 | N97 | N97-D100 HydrophobicContact CB-CB 4.26Å; N97-D100 WeakPolarHBondContact CB-OD2 3.18Å; N97-D100 PolarHBondContact ND2-OD1 3.02Å; N97-D100 VanDerWaalsContact ND2-OD1 3.17Å; N97-D100 PolarHBondContact ND2-OD2 2.97Å; N97-D100 PolarHBondContact O-N 2.86Å |
| 101 | E | 58.6 | Low | 59.4 | Low | 125 Ų | 125 | 75 Ų | 75 | 58% | 0.584 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -71.3 | -32.1 | 172.7 | -68.8 | -70.7 | 141 | 0 | 0 | 112.3 | I96 N97 E103 A104 A105 | I96-E101 HydrophobicContact CG2-CG 4.48Å; N97-E101 PolarHBondContact O-N 3.44Å; E101-E103 VanDerWaalsContact C-N 3.3Å; E101-E103 PolarHBondContact O-N 3.31Å; E101-A104 PolarHBondContact O-N 2.85Å; E101-A104 VanDerWaalsContact O-N 3.11Å; E101-A105 PolarHBondContact O-N 2.73Å |
| 102 | A | 57.8 | Low | 60.8 | Low | 12 Ų | 12 | 70.7 Ų | 70.7 | 10% | 0.099 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.3 | -33.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E98 A104 S106 L108 | E98-A102 VanDerWaalsContact O-CB 3.29Å; E98-A102 WeakPolarHBondContact O-CB 3.46Å; E98-A102 PolarHBondContact O-N 3.44Å; A102-A104 PolarHBondContact O-N 2.9Å; A102-S106 WeakPolarHBondContact CA-O 3.15Å; A102-S106 CarbonylContact O-C 3.03Å; A102-S106 VanDerWaalsContact O-C 3.31Å; A102-L108 HydrophobicContact CB-CB 3.88Å; A102-L108 HydrophobicContact CB-CD1 3.71Å; A102-L108 HydrophobicContact CB-CG 3.61Å |
| 103 | E | 53.7 | Low | 62.2 | Low | 181 Ų | 181 | 75.3 Ų | 75.3 | 85% | 0.846 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -70.8 | -21.8 | 177.7 | -68.6 | -72.6 | 125.2 | 0 | 0 | 111.8 | E101 | E101-E103 VanDerWaalsContact C-N 3.3Å; E101-E103 PolarHBondContact O-N 3.31Å |
| 104 | A | 53.3 | Low | 63.6 | Low | 87 Ų | 87 | 74 Ų | 74 | 72% | 0.719 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -95 | -34.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E101 A102 | E101-A104 PolarHBondContact O-N 2.85Å; E101-A104 VanDerWaalsContact O-N 3.11Å; A102-A104 PolarHBondContact O-N 2.9Å |
| 105 | A | 48.5 | Very low | 64.9 | Low | 83 Ų | 83 | 74.4 Ų | 74.4 | 69% | 0.686 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -123.8 | -33.7 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | E101 | E101-A105 PolarHBondContact O-N 2.73Å |
| 106 | S | 52.7 | Low | 65.9 | Low | 82 Ų | 82 | 75.3 Ų | 75.3 | 57% | 0.573 | 42% | 0.42 | S | S | * | . | trans | -174.5 | 141.9 | 176.4 | -95.7 | 0 | 0 | 0 | 0 | 110.8 | A102 L108 | A102-S106 WeakPolarHBondContact CA-O 3.15Å; A102-S106 CarbonylContact O-C 3.03Å; A102-S106 VanDerWaalsContact O-C 3.31Å; S106-L108 PolarHBondContact O-N 3.38Å | ||
| 107 | P | 62.7 | Low | 66.4 | Low | 101 Ų | 101 | 71.7 Ų | 71.7 | 66% | 0.656 | 40% | 0.404 | S | S | * | . | trans | -66 | 101 | 178.7 | 27.5 | -33.1 | 0 | 0 | 0 | 110.1 | C109 | P107-C109 PolarHBondContact O-N 2.86Š| ||
| 108 | L | 66.3 | Low | 66.8 | Low | 65 Ų | 65 | 76.6 Ų | 76.6 | 34% | 0.34 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -60 | -32.2 | 176.2 | -71 | 179.5 | 0 | 0 | 0 | 112 | E98 A102 S106 F121 H136 | E98-L108 HydrophobicContact CB-CD1 3.7Å; E98-L108 WeakPolarHBondContact O-CD1 3.11Å; A102-L108 HydrophobicContact CB-CB 3.88Å; A102-L108 HydrophobicContact CB-CD1 3.71Å; A102-L108 HydrophobicContact CB-CG 3.61Å; S106-L108 PolarHBondContact O-N 3.38Å; L108-F121 HydrophobicContact CB-CE2 4.11Å; L108-F121 HydrophobicContact CD1-CE2 4.12Å; L108-F121 HydrophobicContact CD1-CZ 4.12Å; L108-H136 WeakPolarHBondContact O-CB 3.29Å |
| 109 | C | 73.1 | Confident | 66.8 | Low | 17 Ų | 17 | 76.7 Ų | 76.7 | 12% | 0.115 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -117.3 | 118 | -179.9 | -60.3 | 0 | 0 | 0 | 0 | 111.2 | P107 A112 C123 | P107-C109 PolarHBondContact O-N 2.86Å; C109-A112 HydrophobicContact CB-CB 3.82Å; C109-C123 HydrophobicContact CB-CB 3.78Å; C109-C123 WeakPolarHBondContact CB-SG 3.33Å; C109-C123 WeakPolarHBondContact SG-CB 3.47Å; C109-C123 CovalentContact SG-SG 2.03Å; C109-C123 PolarHBondContact SG-SG 2.74Å |
| 110 | V | 76.4 | Confident | 66.8 | Low | 55 Ų | 55 | 78.9 Ų | 78.9 | 33% | 0.333 | 46% | 0.46 | S | S | . | . | B | Isolated β-bridge | trans | -95.9 | 125 | 177.2 | -175 | 0 | 0 | 0 | 0 | 110.2 | A112 H136 H137 C138 | V110-A112 PolarHBondContact O-N 3.44Å; V110-H136 PolarHBondContact N-O 3.26Å; V110-H137 WeakPolarHBondContact CB-CD2 3.05Å; V110-C138 PolarHBondContact O-N 3.06Å; V110-C138 VanDerWaalsContact O-N 3.11Å |
| 111 | N | 76.9 | Confident | 67.3 | Low | 69 Ų | 69 | 75.3 Ų | 75.3 | 37% | 0.369 | 44% | 0.439 | S | S | . | . | S | Bend | trans | 57.3 | 24.9 | -173.9 | -59.1 | -45.4 | 0 | 0 | 0 | 114.6 | R126 F129 C138 | N111-R126 PolarHBondContact O-N 2.88Å; N111-R126 VanDerWaalsContact O-N 3.14Å; N111-F129 HydrophobicContact CB-CD1 3.77Å; N111-F129 HydrophobicContact CB-CE1 3.93Å; N111-F129 HydrophobicContact CB-CG 4.38Å; N111-C138 HydrophobicContact CB-CB 4.09Å; N111-C138 PolarHBondContact ND2-O 3.11Å |
| 112 | A | 75.4 | Confident | 68.1 | Low | 9 Ų | 9 | 76.3 Ų | 76.3 | 7% | 0.074 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 164.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | C109 V110 C123 I124 C138 | C109-A112 HydrophobicContact CB-CB 3.82Å; V110-A112 PolarHBondContact O-N 3.44Å; A112-C123 HydrophobicContact CB-CB 3.74Å; A112-I124 CarbonylContact C-O 3.48Å; A112-I124 WeakPolarHBondContact CA-O 3.46Å; A112-I124 VanDerWaalsContact CB-O 3.28Å; A112-I124 WeakPolarHBondContact CB-O 3.29Å; A112-C138 VanDerWaalsContact CB-SG 3.57Å |
| 113 | R | 77.7 | Confident | 69.2 | Low | 190 Ų | 190 | 77.2 Ų | 77.2 | 72% | 0.717 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 130 | 164.6 | -68.4 | 179.3 | 66.9 | -170.6 | -0.1 | 108.3 | I124 | R113-I124 PolarHBondContact N-O 2.8Å; R113-I124 PolarHBondContact O-N 2.04Å |
| 114 | C | 78.9 | Confident | 70.5 | Confident | 40 Ų | 40 | 72.4 Ų | 72.4 | 27% | 0.27 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 137.3 | 171.9 | -172.5 | 0 | 0 | 0 | 0 | 109.5 | C99 | C99-C114 WeakPolarHBondContact CA-SG 3.4Å; C99-C114 HydrophobicContact CB-CB 3.62Å; C99-C114 WeakPolarHBondContact CB-SG 3.46Å; C99-C114 WeakPolarHBondContact SG-CB 3.45Å; C99-C114 CovalentContact SG-SG 2.03Å; C99-C114 PolarHBondContact SG-SG 3.34Å |
| 115 | L | 79.3 | Confident | 71.9 | Confident | 67 Ų | 67 | 69.6 Ų | 69.6 | 35% | 0.351 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 116.3 | 173.1 | -172.9 | 134.3 | 0 | 0 | 0 | 108.4 | T117 R122 I124 | L115-T117 HydrophobicContact CD2-CG2 3.72Å; L115-R122 HydrophobicContact CB-CG 4.29Å; L115-R122 HydrophobicContact CD2-CG 4.16Å; L115-R122 PolarHBondContact N-O 2.82Å; L115-R122 PolarHBondContact O-N 3.14Å; L115-I124 HydrophobicContact CB-CD1 4.11Å; L115-I124 HydrophobicContact CB-CG1 4.5Å; L115-I124 HydrophobicContact CD1-CD1 3.84Å; L115-I124 HydrophobicContact CG-CD1 4.48Å |
| 116 | N | 71.9 | Confident | 73.5 | Confident | 54 Ų | 54 | 72.5 Ų | 72.5 | 29% | 0.289 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 139 | 174.6 | -159.1 | 19.8 | 0 | 0 | 0 | 110.1 | N97 C99 | N97-N116 WeakPolarHBondContact CA-ND2 3.22Å; N97-N116 WeakPolarHBondContact CB-ND2 3.43Å; N97-N116 VanDerWaalsContact OD1-CB 3.26Å; N97-N116 WeakPolarHBondContact OD1-CB 3.27Å; N97-N116 VanDerWaalsContact OD1-CG 3.31Å; C99-N116 PolarHBondContact SG-N 2.83Å |
| 117 | T | 72.8 | Confident | 74.8 | Confident | 44 Ų | 44 | 74.9 Ų | 74.9 | 27% | 0.27 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 155.7 | 174.8 | 52.7 | 0 | 0 | 0 | 0 | 109.7 | D95 L115 G119 S120 R122 | D95-T117 VanDerWaalsContact OD1-O 3.05Å; L115-T117 HydrophobicContact CD2-CG2 3.72Å; T117-G119 PolarHBondContact O-N 2.93Å; T117-S120 CarbonylContact C-O 3.47Å; T117-S120 VanDerWaalsContact C-O 3.27Å; T117-S120 VanDerWaalsContact CA-O 3.24Å; T117-S120 WeakPolarHBondContact CA-O 3.47Å; T117-S120 WeakPolarHBondContact CB-O 3.42Å; T117-S120 PolarHBondContact N-O 2.88Å; T117-S120 PolarHBondContact O-N 3.05Å; T117-S120 PolarHBondContact OG1-O 3.04Å; T117-R122 HydrophobicContact CG2-CG 4.13Å |
| 118 | D | 67.6 | Low | 75.6 | Confident | 145 Ų | 145 | 72.7 Ų | 72.7 | 78% | 0.775 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 111.6 | -178.1 | -138.8 | -101.1 | 0 | 0 | 0 | 110.1 | D95 | D95-D118 WeakPolarHBondContact OD2-CA 3.33Š|
| 119 | G | 66.9 | Low | 76.2 | Confident | 53 Ų | 53 | 73 Ų | 73 | 55% | 0.546 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 1.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | D95 T117 | D95-G119 WeakPolarHBondContact OD1-CA 3.48Å; D95-G119 PolarHBondContact OD1-N 3.12Å; D95-G119 PolarHBondContact OD2-N 2.82Å; T117-G119 PolarHBondContact O-N 2.93Å |
| 120 | S | 68.4 | Low | 76.6 | Confident | 63 Ų | 63 | 74 Ų | 74 | 44% | 0.441 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.9 | 175.1 | -177.3 | -161.9 | 0 | 0 | 0 | 0 | 113.4 | T117 | T117-S120 CarbonylContact C-O 3.47Å; T117-S120 VanDerWaalsContact C-O 3.27Å; T117-S120 VanDerWaalsContact CA-O 3.24Å; T117-S120 WeakPolarHBondContact CA-O 3.47Å; T117-S120 WeakPolarHBondContact CB-O 3.42Å; T117-S120 PolarHBondContact N-O 2.88Å; T117-S120 PolarHBondContact O-N 3.05Å; T117-S120 PolarHBondContact OG1-O 3.04Å |
| 121 | F | 74 | Confident | 76.6 | Confident | 39 Ų | 39 | 76.6 Ų | 76.6 | 17% | 0.171 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 153.1 | 169.2 | 71.5 | -77.7 | 0 | 0 | 0 | 112.5 | E98 L108 H136 | E98-F121 HydrophobicContact CB-CB 4.42Å; E98-F121 HydrophobicContact CB-CD1 3.71Å; E98-F121 HydrophobicContact CB-CE1 4.15Å; E98-F121 HydrophobicContact CB-CG 4.07Å; E98-F121 HydrophobicContact CG-CD1 3.86Å; E98-F121 HydrophobicContact CG-CE1 4.27Å; E98-F121 WeakPolarHBondContact OE2-CB 3.42Å; L108-F121 HydrophobicContact CB-CE2 4.11Å; L108-F121 HydrophobicContact CD1-CE2 4.12Å; L108-F121 HydrophobicContact CD1-CZ 4.12Å; F121-H136 AromaticContact CE2-CE1 3.23Å; F121-H136 WeakPolarHBondContact CE2-CE1 3.45Å; F121-H136 AromaticContact CE2-ND1 3.34Å; F121-H136 VanDerWaalsContact CE2-ND1 3.34Å; F121-H136 WeakPolarHBondContact CE2-ND1 3.14Å; F121-H136 AromaticContact CZ-CE1 3.34Å; F121-H136 WeakPolarHBondContact CZ-CE1 3.25Å; F121-H136 AromaticContact CZ-ND1 3.88Å; F121-H136 AromaticContact CZ-NE2 3.77Å |
| 122 | R | 75.6 | Confident | 76.6 | Confident | 147 Ų | 147 | 75.8 Ų | 75.8 | 56% | 0.555 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 146 | 172.5 | 65.3 | 178.6 | 175.5 | 165.1 | -0.2 | 112.5 | L115 T117 | L115-R122 HydrophobicContact CB-CG 4.29Å; L115-R122 HydrophobicContact CD2-CG 4.16Å; L115-R122 PolarHBondContact N-O 2.82Å; L115-R122 PolarHBondContact O-N 3.14Å; T117-R122 HydrophobicContact CG2-CG 4.13Å |
| 123 | C | 81.2 | Confident | 76.7 | Confident | 30 Ų | 30 | 85 Ų | 85 | 20% | 0.203 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 122.3 | 176.5 | -60.5 | 0 | 0 | 0 | 0 | 110.5 | C109 A112 H136 | C109-C123 HydrophobicContact CB-CB 3.78Å; C109-C123 WeakPolarHBondContact CB-SG 3.33Å; C109-C123 WeakPolarHBondContact SG-CB 3.47Å; C109-C123 CovalentContact SG-SG 2.03Å; C109-C123 PolarHBondContact SG-SG 2.74Å; A112-C123 HydrophobicContact CB-CB 3.74Å; C123-H136 VanDerWaalsContact SG-CB 3.54Å; C123-H136 PolarHBondContact SG-ND1 3.44Å |
| 124 | I | 81.5 | Confident | 76.4 | Confident | 81 Ų | 81 | 81.7 Ų | 81.7 | 42% | 0.415 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 114.1 | 174.5 | -59.9 | 178.3 | 0 | 0 | 0 | 108.6 | A112 R113 L115 | A112-I124 CarbonylContact C-O 3.48Å; A112-I124 WeakPolarHBondContact CA-O 3.46Å; A112-I124 VanDerWaalsContact CB-O 3.28Å; A112-I124 WeakPolarHBondContact CB-O 3.29Å; R113-I124 PolarHBondContact N-O 2.8Å; R113-I124 PolarHBondContact O-N 2.04Å; L115-I124 HydrophobicContact CB-CD1 4.11Å; L115-I124 HydrophobicContact CB-CG1 4.5Å; L115-I124 HydrophobicContact CD1-CD1 3.84Å; L115-I124 HydrophobicContact CG-CD1 4.48Å |
| 125 | C | 82 | Confident | 75.7 | Confident | 27 Ų | 27 | 84.8 Ų | 84.8 | 18% | 0.182 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 144 | 179.4 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | F129 A130 C138 | C125-F129 HydrophobicContact CB-CB 4.06Å; C125-F129 WeakPolarHBondContact CB-O 3.46Å; C125-A130 VanDerWaalsContact SG-C 3.53Å; C125-C138 WeakPolarHBondContact CA-SG 3.41Å; C125-C138 HydrophobicContact CB-CB 3.74Å; C125-C138 WeakPolarHBondContact CB-SG 2.99Å; C125-C138 WeakPolarHBondContact SG-CB 3.46Å; C125-C138 CovalentContact SG-SG 2.04Å; C125-C138 PolarHBondContact SG-SG 2.94Å |
| 126 | R | 81.8 | Confident | 75.3 | Confident | 145 Ų | 145 | 85.2 Ų | 85.2 | 55% | 0.547 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 156.9 | 174.4 | -68.7 | -179.7 | -174.2 | -167.2 | 1.4 | 110.9 | N111 G128 F129 | N111-R126 PolarHBondContact O-N 2.88Å; N111-R126 VanDerWaalsContact O-N 3.14Å; R126-G128 PolarHBondContact O-N 2.89Å; R126-F129 HydrophobicContact CB-CD2 4.29Å; R126-F129 WeakPolarHBondContact O-CB 3.03Å; R126-F129 PolarHBondContact O-N 3.03Å |
| 127 | P | 79.8 | Confident | 75.5 | Confident | 132 Ų | 132 | 86 Ų | 86 | 86% | 0.857 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 130.8 | 176.2 | -23.5 | 32.6 | 0 | 0 | 0 | 111.3 | ||
| 128 | G | 80.8 | Confident | 76 | Confident | 54 Ų | 54 | 84 Ų | 84 | 56% | 0.557 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | 5.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | R126 P140 A141 | R126-G128 PolarHBondContact O-N 2.89Å; G128-P140 CarbonylContact O-C 3.29Å; G128-P140 WeakPolarHBondContact O-CA 3.28Å; G128-A141 WeakPolarHBondContact O-CB 3.45Å; G128-A141 PolarHBondContact O-N 3.35Å |
| 129 | F | 79.1 | Confident | 76.6 | Confident | 71 Ų | 71 | 78.9 Ų | 78.9 | 31% | 0.311 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 145.6 | 173.7 | -68 | -106.9 | 0 | 0 | 0 | 110.8 | N111 C125 R126 C138 A139 P140 | N111-F129 HydrophobicContact CB-CD1 3.77Å; N111-F129 HydrophobicContact CB-CE1 3.93Å; N111-F129 HydrophobicContact CB-CG 4.38Å; C125-F129 HydrophobicContact CB-CB 4.06Å; C125-F129 WeakPolarHBondContact CB-O 3.46Å; R126-F129 HydrophobicContact CB-CD2 4.29Å; R126-F129 WeakPolarHBondContact O-CB 3.03Å; R126-F129 PolarHBondContact O-N 3.03Å; F129-C138 HydrophobicContact CB-CB 4.06Å; F129-A139 CarbonylContact C-O 3.59Å; F129-A139 VanDerWaalsContact CA-O 3.25Å; F129-A139 WeakPolarHBondContact CA-O 3.5Å; F129-A139 VanDerWaalsContact CD1-C 3.45Å; F129-P140 HydrophobicContact CD1-CB 4.44Å; F129-P140 HydrophobicContact CE1-CB 4.26Å |
| 130 | A | 80.1 | Confident | 77.1 | Confident | 40 Ų | 40 | 80.6 Ų | 80.6 | 33% | 0.331 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 149.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | C125 C138 A139 A141 | C125-A130 VanDerWaalsContact SG-C 3.53Å; A130-C138 WeakPolarHBondContact O-CA 3.13Å; A130-A139 PolarHBondContact N-O 2.04Å; A130-A139 PolarHBondContact O-N 3.37Å; A130-A141 HydrophobicContact CB-CB 4.14Å |
| 131 | P | 77.9 | Confident | 77.4 | Confident | 108 Ų | 108 | 80 Ų | 80 | 70% | 0.701 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64 | 139.6 | 175.9 | 27 | -33.5 | 0 | 0 | 0 | 109.9 | ||
| 132 | T | 76.6 | Confident | 77.3 | Confident | 52 Ų | 52 | 89 Ų | 89 | 32% | 0.319 | 48% | 0.477 | S | S | . | . | trans | -96.4 | -179.7 | 176.3 | 68 | 0 | 0 | 0 | 0 | 111.2 | Q134 H137 A139 | T132-Q134 PolarHBondContact O-N 3.15Å; T132-Q134 PolarHBondContact OG1-N 2.64Å; T132-Q134 PolarHBondContact OG1-O 2.97Å; T132-H137 WeakPolarHBondContact CG2-O 3.03Å; T132-H137 PolarHBondContact N-O 3.23Å; T132-H137 VanDerWaalsContact N-O 3.1Å; T132-H137 PolarHBondContact OG1-O 2.03Å; T132-A139 HydrophobicContact CG2-CB 3.34Å | ||
| 133 | H | 76.1 | Confident | 76.7 | Confident | 202 Ų | 202 | 87.7 Ų | 87.7 | 94% | 0.935 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -66.1 | -15 | 169.1 | -69.4 | -77.7 | 0 | 0 | 0 | 113.2 | ||
| 134 | Q | 71.2 | Confident | 75.8 | Confident | 121 Ų | 121 | 98.3 Ų | 98.3 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -85.1 | 130.5 | 174.8 | -72.1 | 178.5 | -30.5 | 0 | 0 | 109.8 | T132 H136 H137 | T132-Q134 PolarHBondContact O-N 3.15Å; T132-Q134 PolarHBondContact OG1-N 2.64Å; T132-Q134 PolarHBondContact OG1-O 2.97Å; Q134-H136 PolarHBondContact O-N 3.26Å; Q134-H137 HydrophobicContact CB-CB 3.86Å; Q134-H137 PolarHBondContact O-N 3.47Å; Q134-H137 PolarHBondContact OE1-ND1 2.97Å |
| 135 | P | 65.9 | Low | 74.4 | Confident | 106 Ų | 106 | 102.6 Ų | 102.6 | 69% | 0.688 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | 136.6 | 175.8 | 27.5 | -33.8 | 0 | 0 | 0 | 109.2 | H137 | P135-H137 PolarHBondContact O-N 2.77Š|
| 136 | H | 70.3 | Confident | 74 | Confident | 75 Ų | 75 | 106.4 Ų | 106.4 | 35% | 0.347 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 65.1 | 12.5 | 177 | -42.7 | -75.8 | 0 | 0 | 0 | 117.2 | L108 V110 F121 C123 Q134 | L108-H136 WeakPolarHBondContact O-CB 3.29Å; V110-H136 PolarHBondContact N-O 3.26Å; F121-H136 AromaticContact CE2-CE1 3.23Å; F121-H136 WeakPolarHBondContact CE2-CE1 3.45Å; F121-H136 AromaticContact CE2-ND1 3.34Å; F121-H136 VanDerWaalsContact CE2-ND1 3.34Å; F121-H136 WeakPolarHBondContact CE2-ND1 3.14Å; F121-H136 AromaticContact CZ-CE1 3.34Å; F121-H136 WeakPolarHBondContact CZ-CE1 3.25Å; F121-H136 AromaticContact CZ-ND1 3.88Å; F121-H136 AromaticContact CZ-NE2 3.77Å; C123-H136 VanDerWaalsContact SG-CB 3.54Å; C123-H136 PolarHBondContact SG-ND1 3.44Å; Q134-H136 PolarHBondContact O-N 3.26Å |
| 137 | H | 76.5 | Confident | 73.6 | Confident | 70 Ų | 70 | 104.3 Ų | 104.3 | 32% | 0.324 | 59% | 0.593 | S | S | . | * | B | Isolated β-bridge | trans | -116.3 | 120.4 | 179.8 | -157.2 | -113.9 | 0 | 0 | 0 | 112 | V110 T132 Q134 P135 | V110-H137 WeakPolarHBondContact CB-CD2 3.05Å; T132-H137 WeakPolarHBondContact CG2-O 3.03Å; T132-H137 PolarHBondContact N-O 3.23Å; T132-H137 VanDerWaalsContact N-O 3.1Å; T132-H137 PolarHBondContact OG1-O 2.03Å; Q134-H137 HydrophobicContact CB-CB 3.86Å; Q134-H137 PolarHBondContact O-N 3.47Å; Q134-H137 PolarHBondContact OE1-ND1 2.97Å; P135-H137 PolarHBondContact O-N 2.77Å |
| 138 | C | 82.4 | Confident | 73.2 | Confident | 4 Ų | 4 | 102.8 Ų | 102.8 | 3% | 0.027 | 58% | 0.578 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -105 | 129.9 | 177.9 | -61.7 | 0 | 0 | 0 | 0 | 111.4 | V110 N111 A112 C125 F129 A130 | V110-C138 PolarHBondContact O-N 3.06Å; V110-C138 VanDerWaalsContact O-N 3.11Å; N111-C138 HydrophobicContact CB-CB 4.09Å; N111-C138 PolarHBondContact ND2-O 3.11Å; A112-C138 VanDerWaalsContact CB-SG 3.57Å; C125-C138 WeakPolarHBondContact CA-SG 3.41Å; C125-C138 HydrophobicContact CB-CB 3.74Å; C125-C138 WeakPolarHBondContact CB-SG 2.99Å; C125-C138 WeakPolarHBondContact SG-CB 3.46Å; C125-C138 CovalentContact SG-SG 2.04Å; C125-C138 PolarHBondContact SG-SG 2.94Å; F129-C138 HydrophobicContact CB-CB 4.06Å; A130-C138 WeakPolarHBondContact O-CA 3.13Å |
| 139 | A | 80.4 | Confident | 72.8 | Confident | 37 Ų | 37 | 105.6 Ų | 105.6 | 31% | 0.306 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.1 | 153.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | F129 A130 T132 A141 | F129-A139 CarbonylContact C-O 3.59Å; F129-A139 VanDerWaalsContact CA-O 3.25Å; F129-A139 WeakPolarHBondContact CA-O 3.5Å; F129-A139 VanDerWaalsContact CD1-C 3.45Å; A130-A139 PolarHBondContact N-O 2.04Å; A130-A139 PolarHBondContact O-N 3.37Å; T132-A139 HydrophobicContact CG2-CB 3.34Å; A139-A141 PolarHBondContact O-N 3.47Å |
| 140 | P | 78.5 | Confident | 72.4 | Confident | 89 Ų | 89 | 107.8 Ų | 107.8 | 58% | 0.578 | 60% | 0.596 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -54.2 | 126.2 | 176.4 | 20 | -30.9 | 0 | 0 | 0 | 109.9 | G128 F129 R142 | G128-P140 CarbonylContact O-C 3.29Å; G128-P140 WeakPolarHBondContact O-CA 3.28Å; F129-P140 HydrophobicContact CD1-CB 4.44Å; F129-P140 HydrophobicContact CE1-CB 4.26Å; P140-R142 PolarHBondContact O-N 2.99Å |
| 141 | A | 73.3 | Confident | 71.9 | Confident | 50 Ų | 50 | 112.3 Ų | 112.3 | 41% | 0.413 | 61% | 0.614 | S | S | . | * | trans | -62.8 | 103 | 175.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | G128 A130 A139 P143 | G128-A141 WeakPolarHBondContact O-CB 3.45Å; G128-A141 PolarHBondContact O-N 3.35Å; A130-A141 HydrophobicContact CB-CB 4.14Å; A139-A141 PolarHBondContact O-N 3.47Å; A141-P143 VanDerWaalsContact O-N 3.14Å | ||
| 142 | R | 73.4 | Confident | 71.4 | Confident | 228 Ų | 228 | 112.6 Ų | 112.6 | 86% | 0.86 | 61% | 0.607 | S | S | * | * | trans | -54 | 125.1 | 174.2 | -80.4 | -177.9 | 158.7 | -127.8 | -1.9 | 106.9 | P140 R144 | P140-R142 PolarHBondContact O-N 2.99Å; R142-R144 PolarHBondContact O-N 2.97Å | ||
| 143 | P | 62.4 | Low | 71 | Confident | 119 Ų | 119 | 117.3 Ų | 117.3 | 77% | 0.773 | 63% | 0.63 | S | S | * | * | trans | -55.8 | 130.5 | 173.5 | 22.4 | -29.9 | 0 | 0 | 0 | 106.8 | A141 A145 | A141-P143 VanDerWaalsContact O-N 3.14Å; P143-A145 PolarHBondContact O-N 3.11Å | ||
| 144 | R | 61.9 | Low | 70.6 | Confident | 253 Ų | 253 | 110.3 Ų | 110.3 | 96% | 0.955 | 60% | 0.604 | S | S | * | * | trans | -58.7 | 110.9 | 165.4 | -80 | -176.7 | 153.6 | -160.9 | -6.2 | 105.8 | R142 | R142-R144 PolarHBondContact O-N 2.97Š| ||
| 145 | A | 51.1 | Low | 70.6 | Confident | 171 Ų | 171 | 109.3 Ų | 109.3 | 100% | 1.413 | 61% | 0.608 | S | S | * | * | trans | -64 | 0 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110 | P143 | P143-A145 PolarHBondContact O-N 3.11Š|
Retrieved 145 of 145 residues in 54.3 ms
(Link to these results)