| 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 | 42.2 | Very low | 31.5 | Very low | 250 Ų | 250 | 147.8 Ų | 147.8 | 100% | 1.232 | 78% | 0.775 | S | S | * | * | 0 | 80.7 | 0 | -71.4 | 167.1 | 152.1 | 0 | 0 | 105.7 | |||||
| 2 | G | 35.5 | Very low | 31.1 | Very low | 63 Ų | 63 | 144.9 Ų | 144.9 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | 91.5 | 87.6 | 78.6 | 0 | 0 | 0 | 0 | 0 | 107 | |||||
| 3 | T | 29.2 | Very low | 31.2 | Very low | 136 Ų | 136 | 142.2 Ų | 142.2 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | 49.2 | 121.5 | 93.6 | 61.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 4 | Q | 30.3 | Very low | 30.9 | Very low | 170 Ų | 170 | 144 Ų | 144 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | 179.3 | 130.1 | 72 | -148.8 | 171 | -23.3 | 0 | 0 | 105.6 | |||||
| 5 | W | 29.5 | Very low | 30.6 | Very low | 231 Ų | 231 | 145.3 Ų | 145.3 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | 49.9 | 126 | 74.9 | -87 | 51.4 | 0 | 0 | 0 | 111.1 | |||||
| 6 | S | 29.6 | Very low | 30.3 | Very low | 79 Ų | 79 | 146.1 Ų | 146.1 | 55% | 0.552 | 79% | 0.79 | S | S | * | * | cis | -175.8 | 164.6 | 43.2 | -50.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 7 | R | 31.7 | Very low | 30.4 | Very low | 217 Ų | 217 | 144.2 Ų | 144.2 | 82% | 0.819 | 79% | 0.785 | S | S | * | * | trans | 69.2 | 143.3 | 133.1 | -91.1 | 174.8 | 160.3 | 140.9 | -3.8 | 119.3 | ||||
| 8 | S | 29.5 | Very low | 30.3 | Very low | 83 Ų | 83 | 143.2 Ų | 143.2 | 58% | 0.58 | 79% | 0.786 | S | S | * | * | cis | -153.2 | 131.2 | 23.3 | -107.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 9 | E | 31.5 | Very low | 30.2 | Very low | 144 Ų | 144 | 144.8 Ų | 144.8 | 67% | 0.673 | 79% | 0.787 | S | S | * | * | 89.9 | 112.6 | 105.3 | -85.1 | 165.5 | 88.8 | 0 | 0 | 113.3 | |||||
| 10 | S | 30 | Very low | 30.1 | Very low | 101 Ų | 101 | 144.7 Ų | 144.7 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | 72.5 | 132.2 | 78.3 | -50.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 11 | D | 27.9 | Very low | 29.9 | Very low | 152 Ų | 152 | 140.5 Ų | 140.5 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | -170.6 | 172 | 51.6 | -139.9 | -15.6 | 0 | 0 | 0 | 114.1 | |||||
| 12 | S | 26.4 | Very low | 29.2 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | 98.6 | 80.6 | 162.9 | -61.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 13 | S | 32.7 | Very low | 28.7 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | -106.6 | 131.7 | 140.9 | 39.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 14 | L | 26.8 | Very low | 28.7 | Very low | 168 Ų | 168 | 141.5 Ų | 141.5 | 88% | 0.88 | 78% | 0.775 | S | S | * | * | trans | -149 | 105.9 | 156.9 | -91.7 | -179.4 | 0 | 0 | 0 | 109.8 | ||||
| 15 | L | 26.5 | Very low | 28.6 | Very low | 164 Ų | 164 | 142 Ų | 142 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | trans | -77.4 | 131.6 | 151.4 | -87.2 | 163.6 | 0 | 0 | 0 | 107.9 | ||||
| 16 | L | 26.2 | Very low | 28.6 | Very low | 158 Ų | 158 | 137.5 Ų | 137.5 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | -152 | 118.3 | 151.4 | -94.7 | 171.1 | 0 | 0 | 0 | 108.5 | ||||
| 17 | V | 30.7 | Very low | 28.6 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | trans | -87.3 | 149.6 | 159.4 | 173.7 | 0 | 0 | 0 | 0 | 107.1 | E19 | V17-E19 HydrophobicContact CG1-CB 4.4Š| ||
| 18 | P | 30.2 | Very low | 28.6 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | -131.7 | 138.7 | 118.9 | 20.3 | -2.2 | 0 | 0 | 0 | 112.5 | |||||
| 19 | E | 27.7 | Very low | 29 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -95.9 | 133.2 | 166.7 | -154.9 | -166 | 141.7 | 0 | 0 | 107.8 | V17 | V17-E19 HydrophobicContact CG1-CB 4.4Š| ||
| 20 | V | 27.9 | Very low | 29.5 | Very low | 143 Ų | 143 | 136.1 Ų | 136.1 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -149.2 | 97.7 | 157.4 | 177.1 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 21 | G | 26.2 | Very low | 30.1 | Very low | 57 Ų | 57 | 138.1 Ų | 138.1 | 59% | 0.588 | 79% | 0.794 | S | S | * | * | 97.3 | 131.3 | 94.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 22 | T | 27 | Very low | 31 | Very low | 144 Ų | 144 | 138.4 Ų | 138.4 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | cis | -170.4 | 136.4 | 31.2 | -37.8 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 23 | G | 25.8 | Very low | 31.9 | Very low | 71 Ų | 71 | 136.6 Ų | 136.6 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | 101.2 | 108.5 | 105.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 24 | W | 29.7 | Very low | 32.6 | Very low | 254 Ų | 254 | 139.1 Ų | 139.1 | 96% | 0.962 | 79% | 0.787 | S | S | * | * | trans | -73.8 | 134 | 163.4 | -71.9 | 73.3 | 0 | 0 | 0 | 109.7 | ||||
| 25 | Q | 28 | Very low | 33.6 | Very low | 180 Ų | 180 | 137 Ų | 137 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | trans | 167.4 | 123.7 | 130.8 | -95.4 | 173.4 | 18.3 | 0 | 0 | 114.7 | ||||
| 26 | T | 29.6 | Very low | 34.7 | Very low | 137 Ų | 137 | 132.5 Ų | 132.5 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | trans | 68.9 | 131.8 | 132.6 | -20.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 27 | G | 29.8 | Very low | 35.8 | Very low | 59 Ų | 59 | 131.1 Ų | 131.1 | 61% | 0.608 | 76% | 0.762 | S | S | * | * | trans | 124.4 | 92.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 28 | D | 31.3 | Very low | 36.7 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | 76.9 | 120 | 91.5 | -74.4 | -14.7 | 0 | 0 | 0 | 112.7 | |||||
| 29 | D | 38 | Very low | 37.7 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | 55.9 | 124.9 | 148.5 | -59.2 | -31.4 | 0 | 0 | 0 | 117.6 | ||||
| 30 | D | 41.2 | Very low | 38.8 | Very low | 148 Ų | 148 | 136.9 Ų | 136.9 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | -172.7 | 143.2 | 54.2 | -82.3 | -57.1 | 0 | 0 | 0 | 110.6 | |||||
| 31 | D | 43.8 | Very low | 39.9 | Very low | 144 Ų | 144 | 138.8 Ų | 138.8 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | 43.6 | 87.1 | 140.8 | -151.2 | 28.2 | 0 | 0 | 0 | 120.2 | S33 | D31-S33 PolarHBondContact O-N 2.86Š| ||
| 32 | D | 46.3 | Very low | 41.2 | Very low | 157 Ų | 157 | 143.7 Ų | 143.7 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | -73.5 | 73.2 | 161.2 | -80.7 | -47.7 | 0 | 0 | 0 | 110.8 | L34 | D32-L34 PolarHBondContact O-N 3.47Å; D32-L34 VanDerWaalsContact O-N 3.12Å | ||
| 33 | S | 44.3 | Very low | 42.7 | Very low | 76 Ų | 76 | 142.5 Ų | 142.5 | 53% | 0.531 | 77% | 0.765 | S | S | . | * | trans | -73.6 | 93.1 | 162 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | D31 D35 | D31-S33 PolarHBondContact O-N 2.86Å; S33-D35 PolarHBondContact O-N 3.46Å | ||
| 34 | L | 48.8 | Very low | 44.2 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 85% | 0.848 | 76% | 0.756 | S | S | * | * | trans | -76.3 | 57.2 | 166.2 | -69.8 | 171.4 | 0 | 0 | 0 | 110.5 | D32 G36 | D32-L34 PolarHBondContact O-N 3.47Å; D32-L34 VanDerWaalsContact O-N 3.12Å; L34-G36 PolarHBondContact O-N 3.01Å | ||
| 35 | D | 46.1 | Very low | 45.4 | Very low | 124 Ų | 124 | 141.7 Ų | 141.7 | 66% | 0.663 | 75% | 0.754 | S | S | * | * | trans | -74.2 | 82.9 | 160.4 | -90.6 | -17.8 | 0 | 0 | 0 | 107.8 | S33 L37 | S33-D35 PolarHBondContact O-N 3.46Å; D35-L37 HydrophobicContact CB-CG 4.48Å; D35-L37 PolarHBondContact O-N 3.18Å | ||
| 36 | G | 49.9 | Very low | 46.4 | Very low | 68 Ų | 68 | 141.5 Ų | 141.5 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | trans | -68.4 | 51.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L34 D38 | L34-G36 PolarHBondContact O-N 3.01Å; G36-D38 VanDerWaalsContact C-N 3.28Å; G36-D38 PolarHBondContact O-N 2.72Å | ||
| 37 | L | 49.8 | Very low | 47.5 | Very low | 130 Ų | 130 | 140 Ų | 140 | 68% | 0.681 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -77.1 | -9.3 | 178.1 | -75 | 178 | 0 | 0 | 0 | 113.7 | D35 | D35-L37 HydrophobicContact CB-CG 4.48Å; D35-L37 PolarHBondContact O-N 3.18Å |
| 38 | D | 50.6 | Low | 48.6 | Very low | 169 Ų | 169 | 145.6 Ų | 145.6 | 90% | 0.904 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -95.8 | 17.2 | -175.9 | -79.4 | -25.8 | 0 | 0 | 0 | 115.4 | G36 | G36-D38 VanDerWaalsContact C-N 3.28Å; G36-D38 PolarHBondContact O-N 2.72Å |
| 39 | R | 51.1 | Low | 49.9 | Very low | 230 Ų | 230 | 143.5 Ų | 143.5 | 87% | 0.868 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -122 | 11.9 | 173.3 | -95.8 | 178.5 | 62.5 | 131.6 | -0 | 115.2 | E41 | R39-E41 VanDerWaalsContact C-N 3.32Å; R39-E41 PolarHBondContact O-N 2.97Å |
| 40 | Q | 49.7 | Very low | 50.9 | Low | 134 Ų | 134 | 142.9 Ų | 142.9 | 63% | 0.626 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -82.4 | -6.7 | -175.9 | -167.5 | 56.8 | 52.7 | 0 | 0 | 113.9 | ||
| 41 | E | 52.1 | Low | 51.5 | Low | 184 Ų | 184 | 144.8 Ų | 144.8 | 86% | 0.86 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -90 | -9.5 | -168.8 | -57.3 | -162 | 160.4 | 0 | 0 | 115.5 | R39 | R39-E41 VanDerWaalsContact C-N 3.32Å; R39-E41 PolarHBondContact O-N 2.97Å |
| 42 | D | 51.9 | Low | 52.1 | Low | 159 Ų | 159 | 143.3 Ų | 143.3 | 85% | 0.85 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -106.4 | 14.3 | -176.4 | -81 | -16 | 0 | 0 | 0 | 115.5 | A44 | D42-A44 PolarHBondContact O-N 2.84Š|
| 43 | I | 59 | Low | 52.5 | Low | 120 Ų | 120 | 137.9 Ų | 137.9 | 62% | 0.615 | 71% | 0.711 | S | S | * | * | trans | -82.5 | 101.9 | 172 | -68.7 | 167.5 | 0 | 0 | 0 | 109 | R45 | I43-R45 PolarHBondContact O-N 2.95Š| ||
| 44 | A | 57.9 | Low | 53 | Low | 65 Ų | 65 | 146.3 Ų | 146.3 | 54% | 0.537 | 73% | 0.731 | S | S | . | * | trans | -50.5 | 107.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | D42 F46 | D42-A44 PolarHBondContact O-N 2.84Å; A44-F46 HydrophobicContact CB-CD2 4.28Å; A44-F46 HydrophobicContact CB-CE2 3.69Å; A44-F46 HydrophobicContact CB-CZ 4.11Å; A44-F46 WeakPolarHBondContact O-CD2 3.46Å; A44-F46 PolarHBondContact O-N 2.82Å | ||
| 45 | R | 54.5 | Low | 53.3 | Low | 243 Ų | 243 | 146.1 Ų | 146.1 | 92% | 0.917 | 73% | 0.731 | S | S | * | * | trans | -81.4 | 85.3 | -177.7 | -155.7 | 156.2 | -170.6 | 161.3 | 0.4 | 108.8 | I43 | I43-R45 PolarHBondContact O-N 2.95Š| ||
| 46 | F | 48.4 | Very low | 54 | Low | 175 Ų | 175 | 143.6 Ų | 143.6 | 77% | 0.768 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 127.3 | 170.5 | -65.7 | -78.7 | 0 | 0 | 0 | 108.7 | A44 Y48 | A44-F46 HydrophobicContact CB-CD2 4.28Å; A44-F46 HydrophobicContact CB-CE2 3.69Å; A44-F46 HydrophobicContact CB-CZ 4.11Å; A44-F46 WeakPolarHBondContact O-CD2 3.46Å; A44-F46 PolarHBondContact O-N 2.82Å; F46-Y48 PolarHBondContact O-N 3.49Å |
| 47 | P | 52.8 | Low | 54.6 | Low | 107 Ų | 107 | 148 Ų | 148 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 125.6 | 175.1 | 23.9 | -30.1 | 0 | 0 | 0 | 108.4 | V49 | P47-V49 WeakPolarHBondContact O-CG2 3.3Å; P47-V49 PolarHBondContact O-N 3.14Å |
| 48 | Y | 52.3 | Low | 55.2 | Low | 175 Ų | 175 | 146.3 Ų | 146.3 | 69% | 0.686 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 124.7 | 169.5 | 178.5 | -107.1 | 0 | 0 | 0 | 108.2 | F46 E50 | F46-Y48 PolarHBondContact O-N 3.49Å; Y48-E50 HydrophobicContact CD1-CG 4.02Å; Y48-E50 HydrophobicContact CE1-CG 3.25Å; Y48-E50 WeakPolarHBondContact CE1-OE1 3.48Å |
| 49 | V | 58.6 | Low | 55.4 | Low | 105 Ų | 105 | 141 Ų | 141 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | trans | -119.2 | 114.8 | 178.5 | -127.1 | 0 | 0 | 0 | 0 | 108 | P47 F51 | P47-V49 WeakPolarHBondContact O-CG2 3.3Å; P47-V49 PolarHBondContact O-N 3.14Å; V49-F51 PolarHBondContact O-N 3.39Å | ||
| 50 | E | 60 | Low | 55.9 | Low | 126 Ų | 126 | 135.6 Ų | 135.6 | 59% | 0.589 | 69% | 0.694 | S | S | * | * | trans | -76.6 | 103 | 172.7 | -67.2 | 179.7 | 175.3 | 0 | 0 | 109.1 | Y48 T52 | Y48-E50 HydrophobicContact CD1-CG 4.02Å; Y48-E50 HydrophobicContact CE1-CG 3.25Å; Y48-E50 WeakPolarHBondContact CE1-OE1 3.48Å; E50-T52 VanDerWaalsContact C-N 3.33Å; E50-T52 PolarHBondContact O-N 3.12Å; E50-T52 VanDerWaalsContact O-N 3.12Å | ||
| 51 | F | 53.6 | Low | 56.5 | Low | 187 Ų | 187 | 132.2 Ų | 132.2 | 82% | 0.82 | 68% | 0.683 | S | S | * | * | trans | -79.6 | 82.7 | 167 | -92.8 | -92.5 | 0 | 0 | 0 | 109.1 | V49 G53 | V49-F51 PolarHBondContact O-N 3.39Å; F51-G53 PolarHBondContact O-N 3.23Å | ||
| 52 | T | 57.2 | Low | 57 | Low | 114 Ų | 114 | 124.8 Ų | 124.8 | 70% | 0.699 | 65% | 0.651 | S | S | * | * | trans | -75.1 | 79.9 | 167.4 | 58.7 | 0 | 0 | 0 | 0 | 109.1 | E50 | E50-T52 VanDerWaalsContact C-N 3.33Å; E50-T52 PolarHBondContact O-N 3.12Å; E50-T52 VanDerWaalsContact O-N 3.12Å | ||
| 53 | G | 53.5 | Low | 57.6 | Low | 42 Ų | 42 | 124.4 Ų | 124.4 | 43% | 0.433 | 64% | 0.644 | S | S | . | * | trans | -65.8 | 145.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | F51 D55 S56 | F51-G53 PolarHBondContact O-N 3.23Å; G53-D55 PolarHBondContact O-N 3.3Å; G53-S56 PolarHBondContact O-N 2.84Å; G53-S56 PolarHBondContact O-OG 2.99Å | ||
| 54 | R | 55 | Low | 58 | Low | 254 Ų | 254 | 120.6 Ų | 120.6 | 96% | 0.958 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -7.8 | -173.8 | -93.5 | -179.9 | -174.9 | 164.3 | 2.2 | 116.4 | ||
| 55 | D | 55.7 | Low | 58.4 | Low | 157 Ų | 157 | 121.9 Ų | 121.9 | 84% | 0.84 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.7 | 26.9 | 177.2 | -61.1 | -47.3 | 0 | 0 | 0 | 113.1 | G53 I57 | G53-D55 PolarHBondContact O-N 3.3Å; D55-I57 PolarHBondContact O-N 2.91Å; D55-I57 VanDerWaalsContact O-N 3.15Å |
| 56 | S | 61.1 | Low | 58.8 | Low | 71 Ų | 71 | 112.9 Ų | 112.9 | 50% | 0.497 | 62% | 0.619 | S | S | . | * | trans | -74.5 | 106.5 | 177.1 | 64.8 | 0 | 0 | 0 | 0 | 110.7 | G53 T58 | G53-S56 PolarHBondContact O-N 2.84Å; G53-S56 PolarHBondContact O-OG 2.99Å; S56-T58 PolarHBondContact O-N 3.15Å | ||
| 57 | I | 61.8 | Low | 59.4 | Low | 162 Ų | 162 | 112.1 Ų | 112.1 | 83% | 0.831 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 116.7 | 170 | -60.8 | 165 | 0 | 0 | 0 | 107.5 | D55 C59 | D55-I57 PolarHBondContact O-N 2.91Å; D55-I57 VanDerWaalsContact O-N 3.15Å; I57-C59 PolarHBondContact O-N 3.38Å |
| 58 | T | 61.4 | Low | 59.9 | Low | 94 Ų | 94 | 110.3 Ų | 110.3 | 58% | 0.577 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 128.5 | 177.3 | 48.3 | 0 | 0 | 0 | 0 | 109.8 | S56 P60 | S56-T58 PolarHBondContact O-N 3.15Å; T58-P60 WeakPolarHBondContact O-CD 3.49Å |
| 59 | C | 55 | Low | 60.4 | Low | 58 Ų | 58 | 105.6 Ų | 105.6 | 39% | 0.392 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -58.1 | 121.8 | 174.8 | 176.8 | 0 | 0 | 0 | 0 | 109.2 | I57 T61 C62 Q63 | I57-C59 PolarHBondContact O-N 3.38Å; C59-T61 PolarHBondContact O-N 3.5Å; C59-T61 VanDerWaalsContact O-N 3.14Å; C59-C62 PolarHBondContact O-N 3.39Å; C59-Q63 WeakPolarHBondContact O-CA 3.18Å; C59-Q63 PolarHBondContact O-N 3.29Å |
| 60 | P | 63.2 | Low | 60.4 | Low | 116 Ų | 116 | 105.6 Ų | 105.6 | 75% | 0.753 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -22 | -175.9 | 25.1 | -33.5 | 0 | 0 | 0 | 112.6 | T58 | T58-P60 WeakPolarHBondContact O-CD 3.49Š|
| 61 | T | 61 | Low | 60.3 | Low | 62 Ų | 62 | 108.7 Ų | 108.7 | 38% | 0.38 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.8 | -41.2 | -175.3 | -46.5 | 0 | 0 | 0 | 0 | 113.4 | C59 I68 L76 | C59-T61 PolarHBondContact O-N 3.5Å; C59-T61 VanDerWaalsContact O-N 3.14Å; T61-I68 HydrophobicContact CG2-CD1 4.26Å; T61-L76 HydrophobicContact CG2-CD2 3.36Å |
| 62 | C | 62.2 | Low | 60.3 | Low | 28 Ų | 28 | 104 Ų | 104 | 19% | 0.189 | 59% | 0.592 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -114.2 | 1.3 | -179.7 | 62.7 | 0 | 0 | 0 | 0 | 112.7 | C59 G64 T65 I68 | C59-C62 PolarHBondContact O-N 3.39Å; C62-G64 PolarHBondContact O-N 3.06Å; C62-T65 PolarHBondContact O-N 3.05Å; C62-T65 PolarHBondContact O-OG1 3.24Å; C62-I68 HydrophobicContact CB-CG1 4.46Å |
| 63 | Q | 65 | Low | 60.1 | Low | 151 Ų | 151 | 101.1 Ų | 101.1 | 71% | 0.706 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49 | 26.2 | -176.6 | -58.9 | -177.3 | 14.5 | 0 | 0 | 113.8 | C59 | C59-Q63 WeakPolarHBondContact O-CA 3.18Å; C59-Q63 PolarHBondContact O-N 3.29Å |
| 64 | G | 67.1 | Low | 60 | Low | 40 Ų | 40 | 106.1 Ų | 106.1 | 41% | 0.412 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 82.3 | 1.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | C62 | C62-G64 PolarHBondContact O-N 3.06Š|
| 65 | T | 66.8 | Low | 59.8 | Low | 92 Ų | 92 | 101.5 Ų | 101.5 | 56% | 0.564 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -88.6 | -6.3 | -176.6 | 64.9 | 0 | 0 | 0 | 0 | 114.5 | C62 H67 | C62-T65 PolarHBondContact O-N 3.05Å; C62-T65 PolarHBondContact O-OG1 3.24Å; T65-H67 PolarHBondContact O-N 3.33Å; T65-H67 PolarHBondContact OG1-O 3.22Å |
| 66 | G | 62.7 | Low | 59.6 | Low | 55 Ų | 55 | 97.3 Ų | 97.3 | 57% | 0.567 | 56% | 0.557 | S | S | * | * | S | Bend | trans | 69.1 | -8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 67 | H | 62.3 | Low | 59 | Low | 158 Ų | 158 | 98.6 Ų | 98.6 | 73% | 0.731 | 56% | 0.561 | S | S | * | * | trans | -122.8 | 136.8 | 178.8 | -73.4 | -67.6 | 0 | 0 | 0 | 111 | T65 | T65-H67 PolarHBondContact O-N 3.33Å; T65-H67 PolarHBondContact OG1-O 3.22Å | ||
| 68 | I | 62.7 | Low | 58.8 | Low | 69 Ų | 69 | 95.9 Ų | 95.9 | 35% | 0.354 | 56% | 0.563 | S | S | . | * | trans | -100.5 | 119.7 | 176.7 | -59.2 | 167.8 | 0 | 0 | 0 | 107 | T61 C62 S70 V73 | T61-I68 HydrophobicContact CG2-CD1 4.26Å; C62-I68 HydrophobicContact CB-CG1 4.46Å; I68-S70 PolarHBondContact O-N 2.88Å; I68-V73 HydrophobicContact CG2-CG2 4.05Å | ||
| 69 | P | 63.4 | Low | 58.4 | Low | 77 Ų | 77 | 97.2 Ų | 97.2 | 50% | 0.5 | 57% | 0.566 | S | S | . | * | trans | -62.6 | 134.4 | -178 | 23.3 | -31.3 | 0 | 0 | 0 | 110.8 | E71 Q72 V73 | P69-E71 PolarHBondContact O-N 3.2Å; P69-Q72 PolarHBondContact O-N 2.84Å; P69-V73 WeakPolarHBondContact O-CG2 3.39Å | ||
| 70 | S | 57.1 | Low | 58.3 | Low | 104 Ų | 104 | 98.7 Ų | 98.7 | 73% | 0.727 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -54.9 | -24.2 | -172.2 | -45.9 | 0 | 0 | 0 | 0 | 115 | I68 Q72 V73 | I68-S70 PolarHBondContact O-N 2.88Å; S70-Q72 VanDerWaalsContact C-N 3.3Å; S70-Q72 PolarHBondContact O-N 3.11Å; S70-V73 VanDerWaalsContact CA-CG2 3.49Å; S70-V73 PolarHBondContact O-N 2.91Å |
| 71 | E | 58.5 | Low | 57.3 | Low | 191 Ų | 191 | 96.4 Ų | 96.4 | 89% | 0.893 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -70.3 | -21 | 173.9 | -79.6 | -161.4 | 148.1 | 0 | 0 | 113.9 | P69 | P69-E71 PolarHBondContact O-N 3.2Å |
| 72 | Q | 54.2 | Low | 56.6 | Low | 90 Ų | 90 | 105.2 Ų | 105.2 | 42% | 0.421 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -103.9 | -4.8 | 176.7 | -74.5 | 179.2 | -7.6 | 0 | 0 | 113.4 | P69 S70 N74 E75 L76 | P69-Q72 PolarHBondContact O-N 2.84Å; S70-Q72 VanDerWaalsContact C-N 3.3Å; S70-Q72 PolarHBondContact O-N 3.11Å; Q72-N74 VanDerWaalsContact C-N 3.26Å; Q72-N74 PolarHBondContact O-N 3.39Å; Q72-E75 PolarHBondContact O-N 2.71Å; Q72-L76 HydrophobicContact CB-CD1 4.14Å; Q72-L76 VanDerWaalsContact O-CD1 3.3Å; Q72-L76 WeakPolarHBondContact O-CD1 3.37Å; Q72-L76 PolarHBondContact O-N 3.16Å |
| 73 | V | 52.8 | Low | 56 | Low | 52 Ų | 52 | 110.3 Ų | 110.3 | 32% | 0.315 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -71.1 | -26.6 | -178.6 | -168.7 | 0 | 0 | 0 | 0 | 111.3 | I68 P69 S70 E75 L76 V77 | I68-V73 HydrophobicContact CG2-CG2 4.05Å; P69-V73 WeakPolarHBondContact O-CG2 3.39Å; S70-V73 VanDerWaalsContact CA-CG2 3.49Å; S70-V73 PolarHBondContact O-N 2.91Å; V73-E75 PolarHBondContact O-N 3.22Å; V73-L76 PolarHBondContact O-N 2.83Å; V73-V77 HydrophobicContact CG1-CG2 4.1Å |
| 74 | N | 50 | Low | 55.5 | Low | 147 Ų | 147 | 106 Ų | 106 | 79% | 0.786 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -12.4 | 171.9 | -70.2 | -19.1 | 0 | 0 | 0 | 113.4 | Q72 | Q72-N74 VanDerWaalsContact C-N 3.26Å; Q72-N74 PolarHBondContact O-N 3.39Å |
| 75 | E | 51.3 | Low | 54.8 | Low | 157 Ų | 157 | 112.1 Ų | 112.1 | 73% | 0.734 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | -17.6 | 176.2 | -168.7 | 172.4 | -178.9 | 0 | 0 | 112.2 | Q72 V73 | Q72-E75 PolarHBondContact O-N 2.71Å; V73-E75 PolarHBondContact O-N 3.22Å |
| 76 | L | 52.3 | Low | 54 | Low | 70 Ų | 70 | 119 Ų | 119 | 37% | 0.366 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -122.7 | 63.6 | -178.4 | -71.9 | 102.9 | 0 | 0 | 0 | 113.3 | T61 Q72 V73 | T61-L76 HydrophobicContact CG2-CD2 3.36Å; Q72-L76 HydrophobicContact CB-CD1 4.14Å; Q72-L76 VanDerWaalsContact O-CD1 3.3Å; Q72-L76 WeakPolarHBondContact O-CD1 3.37Å; Q72-L76 PolarHBondContact O-N 3.16Å; V73-L76 PolarHBondContact O-N 2.83Å |
| 77 | V | 47.3 | Very low | 53.4 | Low | 97 Ų | 97 | 121.8 Ų | 121.8 | 59% | 0.588 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -140.5 | 94.6 | 158.9 | 176.6 | 0 | 0 | 0 | 0 | 107.4 | V73 L79 | V73-V77 HydrophobicContact CG1-CG2 4.1Å; V77-L79 PolarHBondContact O-N 2.91Å |
| 78 | A | 58.9 | Low | 52.9 | Low | 105 Ų | 105 | 121.4 Ų | 121.4 | 87% | 0.868 | 62% | 0.62 | S | S | * | * | trans | 29.8 | 45.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116 | V80 | A78-V80 PolarHBondContact O-N 3.27Å; A78-V80 VanDerWaalsContact O-N 3.16Å | ||
| 79 | L | 53.1 | Low | 52.9 | Low | 123 Ų | 123 | 120.7 Ų | 120.7 | 64% | 0.644 | 62% | 0.621 | S | S | * | * | trans | -81.9 | 99.4 | 168.1 | -69.6 | 176.1 | 0 | 0 | 0 | 104.4 | V77 P81 | V77-L79 PolarHBondContact O-N 2.91Å; L79-P81 VanDerWaalsContact C-N 3.34Å; L79-P81 WeakPolarHBondContact O-CD 3.2Å | ||
| 80 | V | 51.8 | Low | 52.9 | Low | 88 Ų | 88 | 123.2 Ų | 123.2 | 53% | 0.533 | 63% | 0.626 | S | S | . | * | trans | -47.2 | 111.9 | 148.1 | 174.8 | 0 | 0 | 0 | 0 | 104.3 | A78 Y82 D84 L87 | A78-V80 PolarHBondContact O-N 3.27Å; A78-V80 VanDerWaalsContact O-N 3.16Å; V80-Y82 PolarHBondContact O-N 3.39Å; V80-D84 HydrophobicContact CG1-CB 4.17Å; V80-L87 HydrophobicContact CG1-CD1 3.67Å; V80-L87 HydrophobicContact CG1-CD2 3.82Å; V80-L87 HydrophobicContact CG1-CG 4.37Å | ||
| 81 | P | 43.2 | Very low | 53.6 | Low | 69 Ų | 69 | 126.9 Ų | 126.9 | 45% | 0.448 | 62% | 0.623 | S | S | . | * | trans | -53.9 | 135.1 | -170.1 | 14 | -24.8 | 0 | 0 | 0 | 108.3 | L79 N83 D84 | L79-P81 VanDerWaalsContact C-N 3.34Å; L79-P81 WeakPolarHBondContact O-CD 3.2Å; P81-N83 PolarHBondContact O-N 3.42Å; P81-D84 HydrophobicContact CG-CB 3.8Å; P81-D84 WeakPolarHBondContact O-CB 2.99Å; P81-D84 PolarHBondContact O-N 2.94Å | ||
| 82 | Y | 46.1 | Very low | 54.6 | Low | 247 Ų | 247 | 121.4 Ų | 121.4 | 97% | 0.969 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | -18.9 | 179.6 | -170.9 | -94.5 | 0 | 0 | 0 | 112.1 | V80 | V80-Y82 PolarHBondContact O-N 3.39Š|
| 83 | N | 50.3 | Low | 55.8 | Low | 135 Ų | 135 | 124 Ų | 124 | 72% | 0.722 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | 30 | 178.5 | -151.6 | 24.1 | 0 | 0 | 0 | 114 | P81 Q85 | P81-N83 PolarHBondContact O-N 3.42Å; N83-Q85 PolarHBondContact O-N 3Å |
| 84 | D | 54 | Low | 57.4 | Low | 59 Ų | 59 | 126.6 Ų | 126.6 | 32% | 0.316 | 63% | 0.625 | S | S | . | * | trans | -66.3 | 115.4 | 178 | -141.4 | -14.1 | 0 | 0 | 0 | 110.8 | V80 P81 R86 L87 R88 | V80-D84 HydrophobicContact CG1-CB 4.17Å; P81-D84 HydrophobicContact CG-CB 3.8Å; P81-D84 WeakPolarHBondContact O-CB 2.99Å; P81-D84 PolarHBondContact O-N 2.94Å; D84-R86 PolarHBondContact O-N 3.43Å; D84-R86 VanDerWaalsContact O-N 3.11Å; D84-L87 HydrophobicContact CB-CB 4.4Å; D84-L87 HydrophobicContact CB-CD1 4.2Å; D84-L87 PolarHBondContact O-N 2.96Å; D84-R88 PolarHBondContact O-N 3.39Å | ||
| 85 | Q | 51.2 | Low | 59.3 | Low | 170 Ų | 170 | 126.5 Ų | 126.5 | 79% | 0.794 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -14 | -173 | -154.3 | 152.8 | -30 | 0 | 0 | 112.6 | N83 | N83-Q85 PolarHBondContact O-N 3Š|
| 86 | R | 50.1 | Low | 61.2 | Low | 235 Ų | 235 | 123.5 Ų | 123.5 | 89% | 0.887 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -29.1 | 167.8 | -75.2 | -169.6 | 86.6 | -161.2 | 7.6 | 113.7 | D84 | D84-R86 PolarHBondContact O-N 3.43Å; D84-R86 VanDerWaalsContact O-N 3.11Å |
| 87 | L | 51.6 | Low | 63.1 | Low | 115 Ų | 115 | 124.5 Ų | 124.5 | 60% | 0.602 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -10.6 | 176.9 | -94.9 | 79.8 | 0 | 0 | 0 | 112.9 | V80 D84 P89 | V80-L87 HydrophobicContact CG1-CD1 3.67Å; V80-L87 HydrophobicContact CG1-CD2 3.82Å; V80-L87 HydrophobicContact CG1-CG 4.37Å; D84-L87 HydrophobicContact CB-CB 4.4Å; D84-L87 HydrophobicContact CB-CD1 4.2Å; D84-L87 PolarHBondContact O-N 2.96Å; L87-P89 WeakPolarHBondContact O-CD 3.34Å; L87-P89 WeakPolarHBondContact O-CG 3.36Å; L87-P89 VanDerWaalsContact O-N 3.12Å |
| 88 | R | 51.6 | Low | 65.4 | Low | 149 Ų | 149 | 124.2 Ų | 124.2 | 56% | 0.562 | 61% | 0.61 | S | S | * | * | trans | -75.2 | 98.1 | 178.2 | -150.5 | 175.6 | -168.5 | -170 | 4.7 | 109.2 | D84 Q90 | D84-R88 PolarHBondContact O-N 3.39Å; R88-Q90 HydrophobicContact CG-CG 4.2Å; R88-Q90 PolarHBondContact O-N 3.49Å | ||
| 89 | P | 61.8 | Low | 67.1 | Low | 55 Ų | 55 | 122.5 Ų | 122.5 | 36% | 0.357 | 59% | 0.591 | S | S | . | * | trans | -86.5 | 62.6 | -169.6 | 17.4 | 3.2 | 0 | 0 | 0 | 107.8 | L87 R91 T92 K93 | L87-P89 WeakPolarHBondContact O-CD 3.34Å; L87-P89 WeakPolarHBondContact O-CG 3.36Å; L87-P89 VanDerWaalsContact O-N 3.12Å; P89-R91 VanDerWaalsContact C-N 3.25Å; P89-R91 PolarHBondContact O-N 3.49Å; P89-T92 WeakPolarHBondContact CA-OG1 3.42Å; P89-T92 WeakPolarHBondContact CB-OG1 2.93Å; P89-T92 PolarHBondContact O-N 2.94Å; P89-K93 WeakPolarHBondContact O-CG 3.37Å; P89-K93 PolarHBondContact O-N 3.33Å | ||
| 90 | Q | 62.8 | Low | 69.2 | Low | 130 Ų | 130 | 118.9 Ų | 118.9 | 61% | 0.607 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.5 | -39.2 | -177.8 | -70.2 | -171 | -12.8 | 0 | 0 | 110.7 | R88 L94 | R88-Q90 HydrophobicContact CG-CG 4.2Å; R88-Q90 PolarHBondContact O-N 3.49Å; Q90-L94 PolarHBondContact O-N 2.82Å |
| 91 | R | 72.6 | Confident | 71.3 | Confident | 180 Ų | 180 | 118 Ų | 118 | 68% | 0.679 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.5 | -41.3 | 174.4 | -62.3 | -72.1 | -178.4 | 172.9 | -1.2 | 111.6 | P89 K93 L94 Y95 | P89-R91 VanDerWaalsContact C-N 3.25Å; P89-R91 PolarHBondContact O-N 3.49Å; R91-K93 PolarHBondContact O-N 3.18Å; R91-L94 WeakPolarHBondContact O-CB 3.24Å; R91-L94 PolarHBondContact O-N 3.21Å; R91-Y95 VanDerWaalsContact C-CD2 3.5Å; R91-Y95 HydrophobicContact CB-CD2 4.31Å; R91-Y95 HydrophobicContact CB-CE2 3.86Å; R91-Y95 WeakPolarHBondContact O-CD2 3.49Å; R91-Y95 PolarHBondContact O-N 2.98Å |
| 92 | T | 79 | Confident | 73.9 | Confident | 77 Ų | 77 | 119.6 Ų | 119.6 | 47% | 0.472 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.5 | -36.5 | -178.8 | -12.1 | 0 | 0 | 0 | 0 | 112.5 | P89 Y95 V96 | P89-T92 WeakPolarHBondContact CA-OG1 3.42Å; P89-T92 WeakPolarHBondContact CB-OG1 2.93Å; P89-T92 PolarHBondContact O-N 2.94Å; T92-Y95 PolarHBondContact O-N 2.92Å; T92-V96 WeakPolarHBondContact O-CB 3.29Å; T92-V96 VanDerWaalsContact O-CG2 3.24Å; T92-V96 WeakPolarHBondContact O-CG2 3.49Å; T92-V96 PolarHBondContact O-N 3.5Å |
| 93 | K | 80.7 | Confident | 76.3 | Confident | 144 Ų | 144 | 111.8 Ų | 111.8 | 63% | 0.626 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.3 | -44.4 | 170 | -71.8 | -179 | -178 | -170.7 | 0 | 111.8 | P89 R91 V96 V97 | P89-K93 WeakPolarHBondContact O-CG 3.37Å; P89-K93 PolarHBondContact O-N 3.33Å; R91-K93 PolarHBondContact O-N 3.18Å; K93-V96 PolarHBondContact O-N 3.47Å; K93-V97 WeakPolarHBondContact O-CB 3.41Å; K93-V97 VanDerWaalsContact O-CG2 3.29Å; K93-V97 WeakPolarHBondContact O-CG2 2.94Å; K93-V97 PolarHBondContact O-N 2.87Å |
| 94 | L | 85.8 | Confident | 78.5 | Confident | 106 Ų | 106 | 111 Ų | 111 | 56% | 0.555 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62 | -44.9 | 175.4 | -179.7 | 70.2 | 0 | 0 | 0 | 111.6 | Q90 R91 V96 V97 L98 | Q90-L94 PolarHBondContact O-N 2.82Å; R91-L94 WeakPolarHBondContact O-CB 3.24Å; R91-L94 PolarHBondContact O-N 3.21Å; L94-V96 PolarHBondContact O-N 2.91Å; L94-V97 PolarHBondContact O-N 3.25Å; L94-L98 WeakPolarHBondContact O-CB 3.35Å; L94-L98 PolarHBondContact O-N 3.4Å |
| 95 | Y | 88.9 | Confident | 80.6 | Confident | 146 Ų | 146 | 112.6 Ų | 112.6 | 57% | 0.573 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.3 | -40.4 | 178.1 | -69.1 | -60.5 | 0 | 0 | 0 | 112.7 | R91 T92 L98 S99 | R91-Y95 VanDerWaalsContact C-CD2 3.5Å; R91-Y95 HydrophobicContact CB-CD2 4.31Å; R91-Y95 HydrophobicContact CB-CE2 3.86Å; R91-Y95 WeakPolarHBondContact O-CD2 3.49Å; R91-Y95 PolarHBondContact O-N 2.98Å; T92-Y95 PolarHBondContact O-N 2.92Å; Y95-L98 PolarHBondContact O-N 3.39Å; Y95-S99 WeakPolarHBondContact O-CB 3.3Å; Y95-S99 PolarHBondContact O-N 2.88Å; Y95-S99 PolarHBondContact O-OG 3.47Å |
| 96 | V | 91.8 | Very high | 82.8 | Confident | 93 Ų | 93 | 107 Ų | 107 | 56% | 0.564 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.9 | -41.1 | 177 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | T92 K93 L94 S99 A100 | T92-V96 WeakPolarHBondContact O-CB 3.29Å; T92-V96 VanDerWaalsContact O-CG2 3.24Å; T92-V96 WeakPolarHBondContact O-CG2 3.49Å; T92-V96 PolarHBondContact O-N 3.5Å; K93-V96 PolarHBondContact O-N 3.47Å; L94-V96 PolarHBondContact O-N 2.91Å; V96-S99 WeakPolarHBondContact CA-OG 3.19Å; V96-S99 PolarHBondContact O-OG 3.44Å; V96-A100 WeakPolarHBondContact O-CB 3.49Å; V96-A100 PolarHBondContact O-N 2.9Å |
| 97 | V | 92.7 | Very high | 85 | Confident | 91 Ų | 91 | 98.6 Ų | 98.6 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67 | -43.6 | 175.4 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | K93 L94 S99 A100 V101 | K93-V97 WeakPolarHBondContact O-CB 3.41Å; K93-V97 VanDerWaalsContact O-CG2 3.29Å; K93-V97 WeakPolarHBondContact O-CG2 2.94Å; K93-V97 PolarHBondContact O-N 2.87Å; L94-V97 PolarHBondContact O-N 3.25Å; V97-S99 VanDerWaalsContact C-N 3.34Å; V97-S99 PolarHBondContact O-N 3.3Å; V97-A100 PolarHBondContact O-N 2.87Å; V97-V101 HydrophobicContact CG1-CG2 4.36Å; V97-V101 VanDerWaalsContact O-CG2 3.3Å; V97-V101 WeakPolarHBondContact O-CG2 3.29Å; V97-V101 PolarHBondContact O-N 3.12Å |
| 98 | L | 94.5 | Very high | 87.1 | Confident | 92 Ų | 92 | 96 Ų | 96 | 48% | 0.482 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 177.7 | -175 | 69.3 | 0 | 0 | 0 | 111.3 | L94 Y95 V101 L102 | L94-L98 WeakPolarHBondContact O-CB 3.35Å; L94-L98 PolarHBondContact O-N 3.4Å; Y95-L98 PolarHBondContact O-N 3.39Å; L98-V101 PolarHBondContact O-N 2.79Å; L98-L102 HydrophobicContact CG-CD1 4.12Å; L98-L102 WeakPolarHBondContact O-CB 3.49Å; L98-L102 VanDerWaalsContact O-CG 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.3Å; L98-L102 PolarHBondContact O-N 3.29Å |
| 99 | S | 95.3 | Very high | 89.2 | Confident | 68 Ų | 68 | 93.2 Ų | 93.2 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 177 | 68.3 | 0 | 0 | 0 | 0 | 111.8 | Y95 V96 V97 L102 C103 | Y95-S99 WeakPolarHBondContact O-CB 3.3Å; Y95-S99 PolarHBondContact O-N 2.88Å; Y95-S99 PolarHBondContact O-OG 3.47Å; V96-S99 WeakPolarHBondContact CA-OG 3.19Å; V96-S99 PolarHBondContact O-OG 3.44Å; V97-S99 VanDerWaalsContact C-N 3.34Å; V97-S99 PolarHBondContact O-N 3.3Å; S99-L102 PolarHBondContact O-N 2.73Å; S99-C103 WeakPolarHBondContact O-CB 3.34Å; S99-C103 PolarHBondContact O-N 3.26Å |
| 100 | A | 96.7 | Very high | 90.7 | Very high | 48 Ų | 48 | 94.7 Ų | 94.7 | 40% | 0.397 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V96 V97 C103 L104 | V96-A100 WeakPolarHBondContact O-CB 3.49Å; V96-A100 PolarHBondContact O-N 2.9Å; V97-A100 PolarHBondContact O-N 2.87Å; A100-C103 PolarHBondContact O-N 3.24Å; A100-L104 WeakPolarHBondContact O-CG 3.25Å; A100-L104 PolarHBondContact O-N 2.99Å |
| 101 | V | 96.9 | Very high | 92.1 | Very high | 68 Ų | 68 | 92.7 Ų | 92.7 | 41% | 0.412 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 177.3 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | V97 L98 C103 L104 L105 | V97-V101 HydrophobicContact CG1-CG2 4.36Å; V97-V101 VanDerWaalsContact O-CG2 3.3Å; V97-V101 WeakPolarHBondContact O-CG2 3.29Å; V97-V101 PolarHBondContact O-N 3.12Å; L98-V101 PolarHBondContact O-N 2.79Å; V101-C103 VanDerWaalsContact C-N 3.3Å; V101-C103 PolarHBondContact O-N 2.95Å; V101-L104 PolarHBondContact O-N 3.49Å; V101-L105 HydrophobicContact CG1-CD1 3.96Å; V101-L105 HydrophobicContact CG1-CG 4.34Å; V101-L105 WeakPolarHBondContact O-CB 3.41Å; V101-L105 VanDerWaalsContact O-CG 3.3Å; V101-L105 WeakPolarHBondContact O-CG 3.34Å; V101-L105 PolarHBondContact O-N 2.92Å |
| 102 | L | 97.1 | Very high | 93 | Very high | 103 Ų | 103 | 89.3 Ų | 89.3 | 54% | 0.539 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.1 | -39.5 | 177 | -74.7 | 170.1 | 0 | 0 | 0 | 112 | L98 S99 L105 A106 | L98-L102 HydrophobicContact CG-CD1 4.12Å; L98-L102 WeakPolarHBondContact O-CB 3.49Å; L98-L102 VanDerWaalsContact O-CG 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.3Å; L98-L102 PolarHBondContact O-N 3.29Å; S99-L102 PolarHBondContact O-N 2.73Å; L102-L105 PolarHBondContact O-N 3.46Å; L102-A106 WeakPolarHBondContact O-CB 3.36Å; L102-A106 PolarHBondContact O-N 3.43Å |
| 103 | C | 97 | Very high | 93.6 | Very high | 84 Ų | 84 | 90 Ų | 90 | 57% | 0.568 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.6 | -43.4 | 175.7 | -173.1 | 0 | 0 | 0 | 0 | 112 | S99 A100 V101 L105 A106 S107 | S99-C103 WeakPolarHBondContact O-CB 3.34Å; S99-C103 PolarHBondContact O-N 3.26Å; A100-C103 PolarHBondContact O-N 3.24Å; V101-C103 VanDerWaalsContact C-N 3.3Å; V101-C103 PolarHBondContact O-N 2.95Å; C103-L105 PolarHBondContact O-N 2.89Å; C103-A106 PolarHBondContact O-N 2.87Å; C103-S107 WeakPolarHBondContact O-CB 3.39Å; C103-S107 PolarHBondContact O-N 2.95Å; C103-S107 PolarHBondContact O-OG 2.94Å |
| 104 | L | 97.1 | Very high | 94 | Very high | 118 Ų | 118 | 87.1 Ų | 87.1 | 62% | 0.618 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.5 | -42.1 | 175 | -71.1 | 175.5 | 0 | 0 | 0 | 111.7 | A100 V101 S107 S108 | A100-L104 WeakPolarHBondContact O-CG 3.25Å; A100-L104 PolarHBondContact O-N 2.99Å; V101-L104 PolarHBondContact O-N 3.49Å; L104-S107 WeakPolarHBondContact CA-OG 3.36Å; L104-S107 PolarHBondContact O-OG 3.41Å; L104-S108 VanDerWaalsContact O-CB 3.25Å; L104-S108 WeakPolarHBondContact O-CB 3.39Å; L104-S108 PolarHBondContact O-N 3.29Å; L104-S108 PolarHBondContact O-OG 2.86Å |
| 105 | L | 97.2 | Very high | 94.2 | Very high | 93 Ų | 93 | 89 Ų | 89 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.1 | -48.8 | 175.3 | -70.8 | 173.4 | 0 | 0 | 0 | 111.1 | V101 L102 C103 S107 S108 L109 | V101-L105 HydrophobicContact CG1-CD1 3.96Å; V101-L105 HydrophobicContact CG1-CG 4.34Å; V101-L105 WeakPolarHBondContact O-CB 3.41Å; V101-L105 VanDerWaalsContact O-CG 3.3Å; V101-L105 WeakPolarHBondContact O-CG 3.34Å; V101-L105 PolarHBondContact O-N 2.92Å; L102-L105 PolarHBondContact O-N 3.46Å; C103-L105 PolarHBondContact O-N 2.89Å; L105-S107 PolarHBondContact O-N 3.37Å; L105-S108 PolarHBondContact O-N 2.89Å; L105-S108 PolarHBondContact O-OG 2.96Å; L105-L109 WeakPolarHBondContact O-CG 3.33Å; L105-L109 PolarHBondContact O-N 3.5Å |
| 106 | A | 96.9 | Very high | 94.2 | Very high | 53 Ų | 53 | 83.9 Ų | 83.9 | 44% | 0.438 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L102 C103 L109 V110 | L102-A106 WeakPolarHBondContact O-CB 3.36Å; L102-A106 PolarHBondContact O-N 3.43Å; C103-A106 PolarHBondContact O-N 2.87Å; A106-L109 PolarHBondContact O-N 2.95Å; A106-V110 WeakPolarHBondContact O-CG2 3.34Å; A106-V110 PolarHBondContact O-N 2.83Å |
| 107 | S | 97.1 | Very high | 94.1 | Very high | 57 Ų | 57 | 84 Ų | 84 | 40% | 0.399 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 177 | 55.3 | 0 | 0 | 0 | 0 | 112.3 | C103 L104 L105 L109 V110 V111 | C103-S107 WeakPolarHBondContact O-CB 3.39Å; C103-S107 PolarHBondContact O-N 2.95Å; C103-S107 PolarHBondContact O-OG 2.94Å; L104-S107 WeakPolarHBondContact CA-OG 3.36Å; L104-S107 PolarHBondContact O-OG 3.41Å; L105-S107 PolarHBondContact O-N 3.37Å; S107-L109 VanDerWaalsContact C-N 3.33Å; S107-L109 PolarHBondContact O-N 3.31Å; S107-V110 PolarHBondContact O-N 3.41Å; S107-V111 WeakPolarHBondContact O-CG2 3.07Å; S107-V111 PolarHBondContact O-N 3.43Å |
| 108 | S | 95.7 | Very high | 93.8 | Very high | 61 Ų | 61 | 83.3 Ų | 83.3 | 43% | 0.427 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.5 | -38.9 | 175.6 | 74.6 | 0 | 0 | 0 | 0 | 112.5 | L104 L105 V111 F112 | L104-S108 VanDerWaalsContact O-CB 3.25Å; L104-S108 WeakPolarHBondContact O-CB 3.39Å; L104-S108 PolarHBondContact O-N 3.29Å; L104-S108 PolarHBondContact O-OG 2.86Å; L105-S108 PolarHBondContact O-N 2.89Å; L105-S108 PolarHBondContact O-OG 2.96Å; S108-V111 PolarHBondContact O-N 2.94Å; S108-F112 VanDerWaalsContact O-CB 3.31Å; S108-F112 WeakPolarHBondContact O-CB 3.34Å; S108-F112 PolarHBondContact O-N 2.95Å |
| 109 | L | 95.1 | Very high | 93.7 | Very high | 91 Ų | 91 | 79.3 Ų | 79.3 | 48% | 0.476 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.7 | -46.4 | 175.5 | -74 | 164.4 | 0 | 0 | 0 | 110.8 | L105 A106 S107 V111 F112 F113 | L105-L109 WeakPolarHBondContact O-CG 3.33Å; L105-L109 PolarHBondContact O-N 3.5Å; A106-L109 PolarHBondContact O-N 2.95Å; S107-L109 VanDerWaalsContact C-N 3.33Å; S107-L109 PolarHBondContact O-N 3.31Å; L109-V111 VanDerWaalsContact C-N 3.32Å; L109-V111 PolarHBondContact O-N 3.19Å; L109-F112 PolarHBondContact O-N 3.29Å; L109-F113 HydrophobicContact CB-CD2 4.43Å; L109-F113 HydrophobicContact CB-CE2 4.34Å; L109-F113 HydrophobicContact CD2-CE2 4Å; L109-F113 WeakPolarHBondContact O-CD2 3.31Å; L109-F113 PolarHBondContact O-N 3.01Å |
| 110 | V | 93.8 | Very high | 93.6 | Very high | 85 Ų | 85 | 81.7 Ų | 81.7 | 52% | 0.515 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -57.7 | -46.7 | 176.7 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | A106 S107 L114 | A106-V110 WeakPolarHBondContact O-CG2 3.34Å; A106-V110 PolarHBondContact O-N 2.83Å; S107-V110 PolarHBondContact O-N 3.41Å; V110-L114 HydrophobicContact CG1-CD1 3.77Å; V110-L114 HydrophobicContact CG1-CG 4.45Å; V110-L114 VanDerWaalsContact O-CB 3.3Å; V110-L114 WeakPolarHBondContact O-CB 3.35Å; V110-L114 WeakPolarHBondContact O-CG 3.47Å; V110-L114 PolarHBondContact O-N 3.31Å |
| 111 | V | 92.1 | Very high | 93.5 | Very high | 89 Ų | 89 | 80.4 Ų | 80.4 | 54% | 0.539 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.5 | -47.8 | 175.9 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | S107 S108 L109 F113 L114 F115 | S107-V111 WeakPolarHBondContact O-CG2 3.07Å; S107-V111 PolarHBondContact O-N 3.43Å; S108-V111 PolarHBondContact O-N 2.94Å; L109-V111 VanDerWaalsContact C-N 3.32Å; L109-V111 PolarHBondContact O-N 3.19Å; V111-F113 VanDerWaalsContact C-N 3.33Å; V111-F113 PolarHBondContact O-N 3.44Å; V111-L114 PolarHBondContact O-N 3.44Å; V111-F115 HydrophobicContact CG1-CB 4.47Å; V111-F115 WeakPolarHBondContact O-CA 3.43Å; V111-F115 WeakPolarHBondContact O-CB 3.48Å; V111-F115 PolarHBondContact O-N 3Å |
| 112 | F | 91.9 | Very high | 93.3 | Very high | 109 Ų | 109 | 82.9 Ų | 82.9 | 48% | 0.478 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.5 | -40.5 | -179 | 177.6 | -97 | 0 | 0 | 0 | 113.6 | S108 L109 F155 | S108-F112 VanDerWaalsContact O-CB 3.31Å; S108-F112 WeakPolarHBondContact O-CB 3.34Å; S108-F112 PolarHBondContact O-N 2.95Å; L109-F112 PolarHBondContact O-N 3.29Å; F112-F155 AromaticContact CE1-CE2 3.98Å; F112-F155 HydrophobicContact CE1-CE2 3.98Å; F112-F155 HydrophobicContact CE1-CZ 4.12Å; F112-F155 HydrophobicContact CZ-CE2 4.5Å |
| 113 | F | 91.3 | Very high | 93.1 | Very high | 91 Ų | 91 | 79.8 Ų | 79.8 | 40% | 0.399 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -78.3 | -34.2 | 179.8 | -72.3 | -63.6 | 0 | 0 | 0 | 113.5 | L109 V111 F155 | L109-F113 HydrophobicContact CB-CD2 4.43Å; L109-F113 HydrophobicContact CB-CE2 4.34Å; L109-F113 HydrophobicContact CD2-CE2 4Å; L109-F113 WeakPolarHBondContact O-CD2 3.31Å; L109-F113 PolarHBondContact O-N 3.01Å; V111-F113 VanDerWaalsContact C-N 3.33Å; V111-F113 PolarHBondContact O-N 3.44Å; F113-F155 HydrophobicContact CD1-CB 4.3Å; F113-F155 HydrophobicContact CD1-CD1 4.11Å; F113-F155 AromaticContact CD1-CD2 3.81Å; F113-F155 HydrophobicContact CD1-CD2 3.81Å; F113-F155 HydrophobicContact CD1-CE1 4.38Å; F113-F155 HydrophobicContact CD1-CE2 4.1Å; F113-F155 AromaticContact CD1-CG 3.82Å; F113-F155 HydrophobicContact CD1-CG 3.82Å; F113-F155 HydrophobicContact CD1-CZ 4.38Å; F113-F155 HydrophobicContact CE1-CD1 4.27Å; F113-F155 HydrophobicContact CE1-CE1 4.22Å; F113-F155 HydrophobicContact CE1-CE2 4.49Å; F113-F155 HydrophobicContact CE1-CG 4.43Å; F113-F155 HydrophobicContact CE1-CZ 4.33Å |
| 114 | L | 89.1 | Confident | 92.8 | Very high | 84 Ų | 84 | 79.1 Ų | 79.1 | 44% | 0.44 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -95.8 | -12.8 | -176.2 | -60.7 | -176.8 | 0 | 0 | 0 | 113.7 | V110 V111 P116 M235 | V110-L114 HydrophobicContact CG1-CD1 3.77Å; V110-L114 HydrophobicContact CG1-CG 4.45Å; V110-L114 VanDerWaalsContact O-CB 3.3Å; V110-L114 WeakPolarHBondContact O-CB 3.35Å; V110-L114 WeakPolarHBondContact O-CG 3.47Å; V110-L114 PolarHBondContact O-N 3.31Å; V111-L114 PolarHBondContact O-N 3.44Å; L114-P116 WeakPolarHBondContact O-CD 3.5Å; L114-M235 HydrophobicContact CD2-CE 3.94Å |
| 115 | F | 89.8 | Confident | 92.4 | Very high | 144 Ų | 144 | 73.7 Ų | 73.7 | 63% | 0.632 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -67.2 | 118 | 178.7 | -165 | -94.7 | 0 | 0 | 0 | 109.4 | V111 R117 | V111-F115 HydrophobicContact CG1-CB 4.47Å; V111-F115 WeakPolarHBondContact O-CA 3.43Å; V111-F115 WeakPolarHBondContact O-CB 3.48Å; V111-F115 PolarHBondContact O-N 3Å; F115-R117 PolarHBondContact O-N 2.83Å |
| 116 | P | 88.2 | Confident | 92.1 | Very high | 39 Ų | 39 | 69.9 Ų | 69.9 | 25% | 0.253 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 123.9 | -169.9 | 28.4 | -34 | 0 | 0 | 0 | 110.7 | L114 F156 Y234 | L114-P116 WeakPolarHBondContact O-CD 3.5Å; P116-F156 HydrophobicContact CB-CZ 4.11Å; P116-Y234 HydrophobicContact CB-CD2 4.22Å; P116-Y234 HydrophobicContact CB-CE2 3.4Å; P116-Y234 VanDerWaalsContact CB-CE2 3.4Å; P116-Y234 HydrophobicContact CG-CE2 4.14Å |
| 117 | R | 89.8 | Confident | 91.8 | Very high | 96 Ų | 96 | 71.5 Ų | 71.5 | 36% | 0.362 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -88.7 | 144.7 | 168 | -60.5 | 179.3 | -178.8 | 179.1 | -2.3 | 109.1 | F115 V119 S153 N154 | F115-R117 PolarHBondContact O-N 2.83Å; R117-V119 PolarHBondContact O-N 3.01Å; R117-S153 WeakPolarHBondContact CB-OG 3.45Å; R117-S153 WeakPolarHBondContact CD-O 3.3Å; R117-S153 PolarHBondContact NH1-O 3.33Å; R117-N154 WeakPolarHBondContact CA-OD1 3.07Å; R117-N154 WeakPolarHBondContact CB-OD1 3.34Å; R117-N154 PolarHBondContact N-OD1 3.3Å; R117-N154 PolarHBondContact O-ND2 2.75Å; R117-N154 PolarHBondContact O-OD1 2.77Å |
| 118 | S | 87.2 | Confident | 91.5 | Very high | 76 Ų | 76 | 70.5 Ų | 70.5 | 53% | 0.531 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 131.9 | 176.8 | 55.1 | 0 | 0 | 0 | 0 | 110.7 | M120 | S118-M120 PolarHBondContact O-N 2.96Š|
| 119 | V | 91.9 | Very high | 91.4 | Very high | 8 Ų | 8 | 67.7 Ų | 67.7 | 5% | 0.048 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 124.8 | 169.5 | -180 | 0 | 0 | 0 | 0 | 108.2 | R117 V158 I185 N241 | R117-V119 PolarHBondContact O-N 3.01Å; V119-V158 HydrophobicContact CG2-CB 4.36Å; V119-V158 HydrophobicContact CG2-CG1 4.05Å; V119-V158 HydrophobicContact CG2-CG2 3.98Å; V119-I185 HydrophobicContact CG1-CD1 4.35Å; V119-N241 PolarHBondContact O-ND2 3.02Å |
| 120 | M | 93.3 | Very high | 91.3 | Very high | 118 Ų | 118 | 66 Ų | 66 | 58% | 0.581 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 126.8 | 176.9 | -66.4 | -63.2 | -177.2 | 0 | 0 | 109 | S118 T151 | S118-M120 PolarHBondContact O-N 2.96Å; M120-T151 PolarHBondContact N-O 3.28Å; M120-T151 VanDerWaalsContact N-O 3.09Å; M120-T151 PolarHBondContact O-N 2.82Å |
| 121 | V | 94.6 | Very high | 91.2 | Very high | 22 Ų | 22 | 62 Ų | 62 | 13% | 0.133 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 123.9 | 175.6 | -173.1 | 0 | 0 | 0 | 0 | 106.8 | L148 F150 V230 N241 L243 | V121-L148 HydrophobicContact CG1-CD1 4.4Å; V121-L148 HydrophobicContact CG1-CD2 4.44Å; V121-F150 HydrophobicContact CB-CD1 4.42Å; V121-F150 HydrophobicContact CB-CE1 4.32Å; V121-F150 HydrophobicContact CG1-CD1 4.1Å; V121-F150 HydrophobicContact CG1-CE1 3.64Å; V121-F150 HydrophobicContact CG1-CZ 4.29Å; V121-F150 HydrophobicContact CG2-CD1 3.82Å; V121-F150 HydrophobicContact CG2-CE1 3.79Å; V121-V230 HydrophobicContact CG1-CG2 4.11Å; V121-N241 HydrophobicContact CG2-CB 4.28Å; V121-L243 HydrophobicContact CB-CD1 4.07Å; V121-L243 HydrophobicContact CG1-CD1 3.6Å; V121-L243 WeakPolarHBondContact O-CD2 3.38Å |
| 122 | E | 93.9 | Very high | 91.2 | Very high | 119 Ų | 119 | 62.6 Ų | 62.6 | 56% | 0.556 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 140 | -179.8 | -171 | 177.4 | -178.2 | 0 | 0 | 109.7 | D124 L148 N149 | E122-D124 PolarHBondContact O-N 3.49Å; E122-L148 WeakPolarHBondContact O-CA 3.12Å; E122-N149 HydrophobicContact CB-CB 4.45Å; E122-N149 PolarHBondContact N-O 2.93Å; E122-N149 PolarHBondContact O-N 3.25Å |
| 123 | D | 92.7 | Very high | 91.2 | Very high | 38 Ų | 38 | 59.8 Ų | 59.8 | 20% | 0.203 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 108.9 | 174.5 | -178.5 | 14.6 | 0 | 0 | 0 | 109.9 | G125 L148 A245 R247 | D123-G125 PolarHBondContact O-N 3.3Å; D123-G125 WeakPolarHBondContact OD1-CA 3.45Å; D123-G125 PolarHBondContact OD1-N 3.43Å; D123-L148 HydrophobicContact CB-CD2 4.33Å; D123-A245 WeakPolarHBondContact OD2-CB 3.45Å; D123-R247 IonicContact OD1-NH2 3.6Å; D123-R247 PolarHBondContact OD1-NH2 2.96Å; D123-R247 IonicContact OD2-CZ 2.68Å; D123-R247 IonicContact OD2-NE 3.49Å; D123-R247 IonicContact OD2-NH2 3.7Å; D123-R247 PolarHBondContact OD2-NH2 2.95Å |
| 124 | D | 90.3 | Very high | 91.2 | Very high | 71 Ų | 71 | 57.4 Ų | 57.4 | 38% | 0.38 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 1 | 177.2 | -166.4 | 54.4 | 0 | 0 | 0 | 112 | E122 R127 S147 N149 Q192 | E122-D124 PolarHBondContact O-N 3.49Å; D124-R127 IonicContact OD2-CZ 3.63Å; D124-R127 IonicContact OD2-NE 3.92Å; D124-R127 IonicContact OD2-NH2 2.65Å; D124-R127 PolarHBondContact OD2-NH2 3.09Å; D124-S147 PolarHBondContact N-O 2.93Å; D124-N149 HydrophobicContact CB-CB 4.45Å; D124-Q192 PolarHBondContact OD2-NE2 3.01Å |
| 125 | G | 89.7 | Confident | 91.2 | Very high | 4 Ų | 4 | 59.5 Ų | 59.5 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 84.9 | -173.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | D123 S146 S147 | D123-G125 PolarHBondContact O-N 3.3Å; D123-G125 WeakPolarHBondContact OD1-CA 3.45Å; D123-G125 PolarHBondContact OD1-N 3.43Å; G125-S146 WeakPolarHBondContact O-CA 3.2Å; G125-S146 PolarHBondContact O-OG 2.97Å; G125-S146 VanDerWaalsContact O-OG 3.06Å; G125-S147 PolarHBondContact O-N 2.88Å |
| 126 | I | 90.2 | Very high | 91.2 | Very high | 13 Ų | 13 | 60 Ų | 60 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 128.1 | -171.7 | -61.3 | 171.1 | 0 | 0 | 0 | 109.5 | V129 M144 R247 H258 | I126-V129 HydrophobicContact CG2-CG2 3.61Å; I126-M144 HydrophobicContact CD1-CE 3.41Å; I126-M144 VanDerWaalsContact CD1-CE 3.41Å; I126-M144 HydrophobicContact CD1-CG 4.38Å; I126-M144 HydrophobicContact CD1-SD 3.59Å; I126-M144 VanDerWaalsContact CD1-SD 3.59Å; I126-M144 HydrophobicContact CG1-CE 4.17Å; I126-M144 HydrophobicContact CG1-CG 4.17Å; I126-M144 HydrophobicContact CG1-SD 3.69Å; I126-M144 HydrophobicContact CG2-CG 4.05Å; I126-R247 HydrophobicContact CD1-CB 3.68Å; I126-R247 HydrophobicContact CD1-CG 3.72Å; I126-R247 HydrophobicContact CG1-CG 4.29Å; I126-H258 WeakPolarHBondContact O-CB 3.4Å |
| 127 | R | 90.7 | Very high | 91.2 | Very high | 86 Ų | 86 | 62.1 Ų | 62.1 | 33% | 0.325 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -41.4 | 174.4 | -64.9 | -61.8 | -177.4 | 144.8 | -4.7 | 112 | D124 T145 | D124-R127 IonicContact OD2-CZ 3.63Å; D124-R127 IonicContact OD2-NE 3.92Å; D124-R127 IonicContact OD2-NH2 2.65Å; D124-R127 PolarHBondContact OD2-NH2 3.09Å; R127-T145 HydrophobicContact CB-CG2 4.42Å; R127-T145 PolarHBondContact N-O 2.84Å |
| 128 | S | 91.3 | Very high | 91.3 | Very high | 36 Ų | 36 | 60.8 Ų | 60.8 | 25% | 0.252 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 147 | 179 | 61.2 | 0 | 0 | 0 | 0 | 111.2 | T145 | S128-T145 PolarHBondContact N-O 2.88Å; S128-T145 PolarHBondContact O-N 3.35Å; S128-T145 WeakPolarHBondContact OG-CB 3.33Å; S128-T145 PolarHBondContact OG-OG1 2.83Å |
| 129 | V | 92.4 | Very high | 91.5 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 133.6 | 165.5 | -170.1 | 0 | 0 | 0 | 0 | 108.6 | I126 V131 I142 N143 M144 I249 S255 T256 | I126-V129 HydrophobicContact CG2-CG2 3.61Å; V129-V131 HydrophobicContact CG1-CG2 4.3Å; V129-I142 HydrophobicContact CG1-CG2 3.33Å; V129-N143 CarbonylContact C-O 3.56Å; V129-N143 WeakPolarHBondContact CA-O 3.24Å; V129-M144 HydrophobicContact CG2-CE 4.21Å; V129-M144 HydrophobicContact CG2-CG 4.29Å; V129-I249 HydrophobicContact CB-CG2 4.45Å; V129-I249 HydrophobicContact CG1-CG2 3.72Å; V129-I249 HydrophobicContact CG2-CG2 4.35Å; V129-S255 VanDerWaalsContact O-CA 3.29Å; V129-S255 WeakPolarHBondContact O-CA 3.21Å; V129-T256 WeakPolarHBondContact CB-OG1 3.5Å; V129-T256 PolarHBondContact N-O 3.44Å; V129-T256 PolarHBondContact O-N 2.79Å |
| 130 | T | 92.6 | Very high | 91.5 | Very high | 54 Ų | 54 | 59.4 Ų | 59.4 | 33% | 0.331 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.4 | 172.4 | -55.2 | 0 | 0 | 0 | 0 | 108.7 | I142 N143 N254 | T130-I142 CarbonylContact O-C 3.58Å; T130-I142 WeakPolarHBondContact O-CA 3.34Å; T130-N143 PolarHBondContact N-O 2.7Å; T130-N143 PolarHBondContact O-N 3.11Å; T130-N254 WeakPolarHBondContact CA-O 3.15Å |
| 131 | V | 92.6 | Very high | 91.5 | Very high | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 137.2 | -179.5 | -173 | 0 | 0 | 0 | 0 | 109.6 | V129 F133 V140 L141 I142 C251 S253 N254 | V129-V131 HydrophobicContact CG1-CG2 4.3Å; V131-F133 HydrophobicContact CG1-CE1 4.14Å; V131-F133 HydrophobicContact CG1-CE2 4.32Å; V131-F133 HydrophobicContact CG1-CZ 3.97Å; V131-V140 HydrophobicContact CG1-CG1 3.72Å; V131-L141 CarbonylContact C-O 3.58Å; V131-L141 WeakPolarHBondContact CA-O 3.44Å; V131-I142 HydrophobicContact CG1-CG1 4.29Å; V131-I142 HydrophobicContact CG2-CG1 4.38Å; V131-I142 HydrophobicContact CG2-CG2 4.45Å; V131-C251 WeakPolarHBondContact CG1-O 3.49Å; V131-S253 WeakPolarHBondContact CG2-O 3.31Å; V131-N254 PolarHBondContact N-O 3.43Å; V131-N254 PolarHBondContact O-OD1 2.91Å |
| 132 | Q | 92.1 | Very high | 91.5 | Very high | 102 Ų | 102 | 55.4 Ų | 55.4 | 48% | 0.477 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 135.8 | 177.5 | -66.1 | 177.9 | -7.5 | 0 | 0 | 109.5 | L141 | Q132-L141 HydrophobicContact CB-CB 4.21Å; Q132-L141 PolarHBondContact N-O 3.19Å; Q132-L141 PolarHBondContact O-N 2.88Å |
| 133 | F | 91.6 | Very high | 91.5 | Very high | 49 Ų | 49 | 52.3 Ų | 52.3 | 22% | 0.215 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 126.2 | 179.7 | -60.7 | -71.2 | 0 | 0 | 0 | 110.5 | V131 V140 Y209 C212 T213 C251 | V131-F133 HydrophobicContact CG1-CE1 4.14Å; V131-F133 HydrophobicContact CG1-CE2 4.32Å; V131-F133 HydrophobicContact CG1-CZ 3.97Å; F133-V140 HydrophobicContact CD1-CG1 4.24Å; F133-V140 HydrophobicContact CD1-CG2 4.11Å; F133-V140 HydrophobicContact CE1-CG1 4.04Å; F133-V140 HydrophobicContact CE1-CG2 4.14Å; F133-Y209 HydrophobicContact CB-CE2 4.31Å; F133-Y209 HydrophobicContact CD1-CD2 4.32Å; F133-Y209 HydrophobicContact CD1-CE2 4.3Å; F133-C212 HydrophobicContact CE1-CB 3.71Å; F133-C212 HydrophobicContact CZ-CB 4.18Å; F133-T213 HydrophobicContact CD1-CG2 3.78Å; F133-T213 HydrophobicContact CE1-CG2 3.82Å; F133-T213 HydrophobicContact CG-CG2 4.23Å; F133-T213 HydrophobicContact CZ-CG2 4.28Å; F133-C251 WeakPolarHBondContact CZ-O 3.34Å |
| 134 | D | 91.1 | Very high | 91.5 | Very high | 41 Ų | 41 | 50.6 Ų | 50.6 | 22% | 0.219 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 97.2 | 166.4 | -179.6 | -7.5 | 0 | 0 | 0 | 108.2 | I136 N137 T138 K139 L141 | D134-I136 PolarHBondContact O-N 2.87Å; D134-I136 WeakPolarHBondContact OD1-CB 3.46Å; D134-I136 PolarHBondContact OD1-N 2.98Å; D134-N137 PolarHBondContact OD1-N 2.93Å; D134-N137 VanDerWaalsContact OD1-N 3.1Å; D134-N137 WeakPolarHBondContact OD2-CB 3.25Å; D134-N137 PolarHBondContact OD2-ND2 2.98Å; D134-T138 VanDerWaalsContact O-CA 3.31Å; D134-T138 WeakPolarHBondContact O-CA 3.43Å; D134-T138 PolarHBondContact O-N 2.88Å; D134-K139 HydrophobicContact CB-CB 4.17Å; D134-K139 PolarHBondContact N-O 2.7Å; D134-K139 PolarHBondContact O-N 2.84Å; D134-L141 HydrophobicContact CB-CD1 4.02Å |
| 135 | H | 89.9 | Confident | 91.7 | Very high | 129 Ų | 129 | 48.5 Ų | 48.5 | 60% | 0.597 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -22.2 | -179.8 | -60.3 | -65.4 | 0 | 0 | 0 | 113.2 | Y209 | H135-Y209 WeakPolarHBondContact CA-OH 3.41Å; H135-Y209 AromaticContact ND1-CZ 3.89Å; H135-Y209 PolarHBondContact ND1-OH 2.96Å |
| 136 | I | 89.1 | Confident | 91.8 | Very high | 154 Ų | 154 | 48.4 Ų | 48.4 | 79% | 0.79 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -48.7 | -177.3 | -58.7 | 173.4 | 0 | 0 | 0 | 109.3 | D134 | D134-I136 PolarHBondContact O-N 2.87Å; D134-I136 WeakPolarHBondContact OD1-CB 3.46Å; D134-I136 PolarHBondContact OD1-N 2.98Å |
| 137 | N | 89.2 | Confident | 92 | Very high | 83 Ų | 83 | 47.8 Ų | 47.8 | 44% | 0.444 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 2.9 | -177.4 | -59.8 | -65.8 | 0 | 0 | 0 | 113.3 | D134 K139 | D134-N137 PolarHBondContact OD1-N 2.93Å; D134-N137 VanDerWaalsContact OD1-N 3.1Å; D134-N137 WeakPolarHBondContact OD2-CB 3.25Å; D134-N137 PolarHBondContact OD2-ND2 2.98Å; N137-K139 VanDerWaalsContact C-N 3.35Å; N137-K139 HydrophobicContact CB-CD 3.81Å; N137-K139 HydrophobicContact CB-CG 3.88Å; N137-K139 WeakPolarHBondContact O-CG 3.5Å; N137-K139 PolarHBondContact O-N 2.9Å |
| 138 | T | 90 | Very high | 92.2 | Very high | 68 Ų | 68 | 43.7 Ų | 43.7 | 42% | 0.417 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 47.8 | -175.5 | 59 | 0 | 0 | 0 | 0 | 112.6 | D134 Y209 | D134-T138 VanDerWaalsContact O-CA 3.31Å; D134-T138 WeakPolarHBondContact O-CA 3.43Å; D134-T138 PolarHBondContact O-N 2.88Å; T138-Y209 HydrophobicContact CG2-CD1 4.2Å; T138-Y209 HydrophobicContact CG2-CE1 4.05Å; T138-Y209 WeakPolarHBondContact O-CB 3.39Å |
| 139 | K | 91.8 | Very high | 92.4 | Very high | 56 Ų | 56 | 43.2 Ų | 43.2 | 24% | 0.243 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 148.2 | -177.8 | -57.4 | 176.4 | 179.1 | 162.3 | 0 | 110.9 | D134 N137 L141 | D134-K139 HydrophobicContact CB-CB 4.17Å; D134-K139 PolarHBondContact N-O 2.7Å; D134-K139 PolarHBondContact O-N 2.84Å; N137-K139 VanDerWaalsContact C-N 3.35Å; N137-K139 HydrophobicContact CB-CD 3.81Å; N137-K139 HydrophobicContact CB-CG 3.88Å; N137-K139 WeakPolarHBondContact O-CG 3.5Å; N137-K139 PolarHBondContact O-N 2.9Å; K139-L141 HydrophobicContact CB-CD1 4.26Å |
| 140 | V | 92.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 122.7 | 170 | -169.8 | 0 | 0 | 0 | 0 | 107.8 | V131 F133 I142 I201 Y209 C212 | V131-V140 HydrophobicContact CG1-CG1 3.72Å; F133-V140 HydrophobicContact CD1-CG1 4.24Å; F133-V140 HydrophobicContact CD1-CG2 4.11Å; F133-V140 HydrophobicContact CE1-CG1 4.04Å; F133-V140 HydrophobicContact CE1-CG2 4.14Å; V140-I142 HydrophobicContact CG1-CD1 4.11Å; V140-I142 HydrophobicContact CG1-CG1 3.84Å; V140-I201 HydrophobicContact CB-CB 4.46Å; V140-I201 PolarHBondContact N-O 2.84Å; V140-I201 PolarHBondContact O-N 3.29Å; V140-Y209 HydrophobicContact CG2-CD2 4Å; V140-Y209 HydrophobicContact CG2-CG 4.41Å; V140-C212 HydrophobicContact CG2-CB 4.41Å |
| 141 | L | 93.5 | Very high | 92.7 | Very high | 56 Ų | 56 | 42.7 Ų | 42.7 | 29% | 0.293 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 125.9 | 174.8 | -67.2 | 84.2 | 0 | 0 | 0 | 107.9 | V131 Q132 D134 K139 V199 | V131-L141 CarbonylContact C-O 3.58Å; V131-L141 WeakPolarHBondContact CA-O 3.44Å; Q132-L141 HydrophobicContact CB-CB 4.21Å; Q132-L141 PolarHBondContact N-O 3.19Å; Q132-L141 PolarHBondContact O-N 2.88Å; D134-L141 HydrophobicContact CB-CD1 4.02Å; K139-L141 HydrophobicContact CB-CD1 4.26Å; L141-V199 WeakPolarHBondContact CA-O 3.36Å |
| 142 | I | 93.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 121 | -177 | -53.9 | 176.4 | 0 | 0 | 0 | 107.9 | V129 T130 V131 V140 V199 I201 I222 I249 C251 | V129-I142 HydrophobicContact CG1-CG2 3.33Å; T130-I142 CarbonylContact O-C 3.58Å; T130-I142 WeakPolarHBondContact O-CA 3.34Å; V131-I142 HydrophobicContact CG1-CG1 4.29Å; V131-I142 HydrophobicContact CG2-CG1 4.38Å; V131-I142 HydrophobicContact CG2-CG2 4.45Å; V140-I142 HydrophobicContact CG1-CD1 4.11Å; V140-I142 HydrophobicContact CG1-CG1 3.84Å; I142-V199 HydrophobicContact CB-CB 4.12Å; I142-V199 HydrophobicContact CB-CG1 4.44Å; I142-V199 PolarHBondContact N-O 3.07Å; I142-V199 WeakPolarHBondContact O-CB 3.29Å; I142-V199 PolarHBondContact O-N 3.48Å; I142-I201 HydrophobicContact CD1-CD1 4.11Å; I142-I222 HydrophobicContact CD1-CD1 3.89Å; I142-I249 HydrophobicContact CG2-CG2 4.44Å; I142-C251 HydrophobicContact CD1-CB 4.4Å |
| 143 | N | 94.4 | Very high | 92.9 | Very high | 54 Ų | 54 | 39.8 Ų | 39.8 | 29% | 0.289 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 113.6 | 171.3 | -72.7 | -24.4 | 0 | 0 | 0 | 108.5 | V129 T130 T196 S198 | V129-N143 CarbonylContact C-O 3.56Å; V129-N143 WeakPolarHBondContact CA-O 3.24Å; T130-N143 PolarHBondContact N-O 2.7Å; T130-N143 PolarHBondContact O-N 3.11Å; N143-T196 HydrophobicContact CB-CG2 4.35Å; N143-S198 WeakPolarHBondContact OD1-CA 3.5Å; N143-S198 WeakPolarHBondContact OD1-CB 3.12Å; N143-S198 PolarHBondContact OD1-OG 3.13Å |
| 144 | M | 93 | Very high | 93 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 123.8 | 179.4 | 176.3 | -175.2 | -68.5 | 0 | 0 | 109.9 | I126 V129 T196 V197 V224 M226 I249 | I126-M144 HydrophobicContact CD1-CE 3.41Å; I126-M144 VanDerWaalsContact CD1-CE 3.41Å; I126-M144 HydrophobicContact CD1-CG 4.38Å; I126-M144 HydrophobicContact CD1-SD 3.59Å; I126-M144 VanDerWaalsContact CD1-SD 3.59Å; I126-M144 HydrophobicContact CG1-CE 4.17Å; I126-M144 HydrophobicContact CG1-CG 4.17Å; I126-M144 HydrophobicContact CG1-SD 3.69Å; I126-M144 HydrophobicContact CG2-CG 4.05Å; V129-M144 HydrophobicContact CG2-CE 4.21Å; V129-M144 HydrophobicContact CG2-CG 4.29Å; M144-T196 CarbonylContact O-C 3.59Å; M144-T196 VanDerWaalsContact O-CA 3.26Å; M144-T196 WeakPolarHBondContact O-CA 3.37Å; M144-V197 PolarHBondContact N-O 2.9Å; M144-V197 PolarHBondContact O-N 2.77Å; M144-V224 HydrophobicContact CE-CG2 4.37Å; M144-M226 HydrophobicContact SD-CE 3.67Å; M144-M226 HydrophobicContact SD-SD 3.36Å; M144-I249 HydrophobicContact CE-CD1 3.12Å; M144-I249 HydrophobicContact CE-CG1 3.4Å |
| 145 | T | 93.8 | Very high | 93.1 | Very high | 28 Ų | 28 | 39.3 Ų | 39.3 | 17% | 0.172 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 121.4 | 169.9 | -53.2 | 0 | 0 | 0 | 0 | 109.1 | R127 S128 N194 F195 T196 | R127-T145 HydrophobicContact CB-CG2 4.42Å; R127-T145 PolarHBondContact N-O 2.84Å; S128-T145 PolarHBondContact N-O 2.88Å; S128-T145 PolarHBondContact O-N 3.35Å; S128-T145 WeakPolarHBondContact OG-CB 3.33Å; S128-T145 PolarHBondContact OG-OG1 2.83Å; T145-N194 HydrophobicContact CG2-CB 4.34Å; T145-F195 CarbonylContact C-O 3.57Å; T145-F195 WeakPolarHBondContact CA-O 3.44Å; T145-T196 PolarHBondContact OG1-OG1 2.94Å |
| 146 | S | 93.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 165.9 | 174.7 | -161.5 | 0 | 0 | 0 | 0 | 110.7 | G125 N194 F195 | G125-S146 WeakPolarHBondContact O-CA 3.2Å; G125-S146 PolarHBondContact O-OG 2.97Å; G125-S146 VanDerWaalsContact O-OG 3.06Å; S146-N194 WeakPolarHBondContact O-CA 3.45Å; S146-F195 PolarHBondContact N-O 2.68Å; S146-F195 WeakPolarHBondContact O-CD1 3.23Å; S146-F195 PolarHBondContact O-N 3.01Å |
| 147 | S | 93.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 132.8 | -177.9 | -161.7 | 0 | 0 | 0 | 0 | 111.9 | D124 G125 Q192 V193 N194 | D124-S147 PolarHBondContact N-O 2.93Å; G125-S147 PolarHBondContact O-N 2.88Å; S147-Q192 WeakPolarHBondContact OG-CG 3.5Å; S147-Q192 PolarHBondContact OG-NE2 2.92Å; S147-V193 WeakPolarHBondContact CA-O 3.48Å; S147-V193 PolarHBondContact OG-O 3.49Å; S147-N194 VanDerWaalsContact CB-OD1 3.24Å; S147-N194 WeakPolarHBondContact CB-OD1 3.36Å; S147-N194 PolarHBondContact OG-OD1 2.91Å |
| 148 | L | 94.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 140.4 | 169.6 | -66.6 | 176.5 | 0 | 0 | 0 | 110 | V121 E122 D123 F150 L163 Q192 V193 F195 T228 V230 | V121-L148 HydrophobicContact CG1-CD1 4.4Å; V121-L148 HydrophobicContact CG1-CD2 4.44Å; E122-L148 WeakPolarHBondContact O-CA 3.12Å; D123-L148 HydrophobicContact CB-CD2 4.33Å; L148-F150 HydrophobicContact CB-CD2 4.39Å; L148-F150 HydrophobicContact CB-CE2 3.66Å; L148-F150 HydrophobicContact CB-CZ 3.84Å; L148-F150 HydrophobicContact CD1-CE2 4.34Å; L148-F150 HydrophobicContact CD1-CZ 3.78Å; L148-F150 HydrophobicContact CG-CZ 4.48Å; L148-L163 HydrophobicContact CD1-CD1 3.55Å; L148-L163 HydrophobicContact CD1-CG 4.19Å; L148-Q192 WeakPolarHBondContact O-CA 3.35Å; L148-V193 PolarHBondContact N-O 3.47Å; L148-V193 PolarHBondContact O-N 2.89Å; L148-F195 HydrophobicContact CD1-CE1 4.15Å; L148-F195 HydrophobicContact CD2-CE1 4.36Å; L148-F195 HydrophobicContact CG-CD1 4.36Å; L148-F195 HydrophobicContact CG-CE1 3.7Å; L148-F195 HydrophobicContact CG-CZ 4.45Å; L148-T228 HydrophobicContact CD1-CG2 3.82Å; L148-T228 HydrophobicContact CD2-CG2 4.46Å; L148-V230 HydrophobicContact CD1-CG2 3.79Å |
| 149 | N | 95.1 | Very high | 93.9 | Very high | 25 Ų | 25 | 27.5 Ų | 27.5 | 13% | 0.134 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 120.4 | 174.4 | -168.2 | -6.4 | 0 | 0 | 0 | 109.6 | E122 D124 Q190 | E122-N149 HydrophobicContact CB-CB 4.45Å; E122-N149 PolarHBondContact N-O 2.93Å; E122-N149 PolarHBondContact O-N 3.25Å; D124-N149 HydrophobicContact CB-CB 4.45Å; N149-Q190 PolarHBondContact ND2-NE2 2.86Å; N149-Q190 WeakPolarHBondContact OD1-CG 3.36Å; N149-Q190 PolarHBondContact OD1-NE2 3.3Å |
| 150 | F | 95.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125.8 | -179 | -64.7 | -80.8 | 0 | 0 | 0 | 110 | V121 L148 I183 I185 Q190 T191 V193 V230 | V121-F150 HydrophobicContact CB-CD1 4.42Å; V121-F150 HydrophobicContact CB-CE1 4.32Å; V121-F150 HydrophobicContact CG1-CD1 4.1Å; V121-F150 HydrophobicContact CG1-CE1 3.64Å; V121-F150 HydrophobicContact CG1-CZ 4.29Å; V121-F150 HydrophobicContact CG2-CD1 3.82Å; V121-F150 HydrophobicContact CG2-CE1 3.79Å; L148-F150 HydrophobicContact CB-CD2 4.39Å; L148-F150 HydrophobicContact CB-CE2 3.66Å; L148-F150 HydrophobicContact CB-CZ 3.84Å; L148-F150 HydrophobicContact CD1-CE2 4.34Å; L148-F150 HydrophobicContact CD1-CZ 3.78Å; L148-F150 HydrophobicContact CG-CZ 4.48Å; F150-I183 HydrophobicContact CD2-CD1 4.21Å; F150-I185 HydrophobicContact CB-CD1 3.64Å; F150-I185 HydrophobicContact CB-CG1 4.42Å; F150-I185 HydrophobicContact CD1-CD1 4.24Å; F150-I185 HydrophobicContact CG-CD1 4.05Å; F150-Q190 CarbonylContact O-C 3.48Å; F150-Q190 VanDerWaalsContact O-CA 3.25Å; F150-Q190 WeakPolarHBondContact O-CA 3.46Å; F150-Q190 WeakPolarHBondContact O-CG 3.36Å; F150-T191 PolarHBondContact N-O 3.45Å; F150-T191 PolarHBondContact O-N 2.78Å; F150-V193 HydrophobicContact CD2-CB 4.48Å; F150-V193 HydrophobicContact CD2-CG2 3.97Å; F150-V193 HydrophobicContact CE2-CB 3.97Å; F150-V193 HydrophobicContact CE2-CG2 3.79Å; F150-V230 HydrophobicContact CE1-CB 4.44Å; F150-V230 HydrophobicContact CE1-CG1 3.73Å; F150-V230 HydrophobicContact CE1-CG2 4.11Å; F150-V230 HydrophobicContact CZ-CG1 4.17Å; F150-V230 HydrophobicContact CZ-CG2 4.18Å |
| 151 | T | 95.2 | Very high | 94.2 | Very high | 47 Ų | 47 | 26.4 Ų | 26.4 | 29% | 0.288 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 113.2 | 176.1 | -53.5 | 0 | 0 | 0 | 0 | 110 | M120 Q190 | M120-T151 PolarHBondContact N-O 3.28Å; M120-T151 VanDerWaalsContact N-O 3.09Å; M120-T151 PolarHBondContact O-N 2.82Å; T151-Q190 PolarHBondContact OG1-NE2 2.82Å |
| 152 | N | 95.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.011 | 14% | 0.137 | C | C | . | . | trans | -96.6 | 109.1 | 176.8 | -177 | 20 | 0 | 0 | 0 | 110.5 | N154 F156 I185 Q186 L188 S189 | N152-N154 WeakPolarHBondContact OD1-CB 3.04Å; N152-N154 PolarHBondContact OD1-N 2.68Å; N152-N154 PolarHBondContact OD1-ND2 2.65Å; N152-F156 PolarHBondContact ND2-O 2.85Å; N152-I185 HydrophobicContact CB-CB 4.26Å; N152-I185 HydrophobicContact CB-CG2 3.49Å; N152-I185 VanDerWaalsContact CB-CG2 3.49Å; N152-Q186 PolarHBondContact ND2-O 2.69Å; N152-L188 CarbonylContact O-C 3.51Å; N152-L188 WeakPolarHBondContact O-CA 3.28Å; N152-L188 PolarHBondContact O-N 3.06Å; N152-S189 PolarHBondContact N-O 2.8Å; N152-S189 PolarHBondContact O-N 3.09Å | ||
| 153 | S | 94.1 | Very high | 94.5 | Very high | 41 Ų | 41 | 24.9 Ų | 24.9 | 29% | 0.287 | 14% | 0.137 | S | C | . | . | trans | -92.2 | 4.6 | 176.2 | 63.8 | 0 | 0 | 0 | 0 | 113.8 | R117 | R117-S153 WeakPolarHBondContact CB-OG 3.45Å; R117-S153 WeakPolarHBondContact CD-O 3.3Å; R117-S153 PolarHBondContact NH1-O 3.33Å | ||
| 154 | N | 93.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.011 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -83 | 159 | 178 | -63.6 | -79.5 | 0 | 0 | 0 | 112.1 | R117 N152 F156 P187 L188 | R117-N154 WeakPolarHBondContact CA-OD1 3.07Å; R117-N154 WeakPolarHBondContact CB-OD1 3.34Å; R117-N154 PolarHBondContact N-OD1 3.3Å; R117-N154 PolarHBondContact O-ND2 2.75Å; R117-N154 PolarHBondContact O-OD1 2.77Å; N152-N154 WeakPolarHBondContact OD1-CB 3.04Å; N152-N154 PolarHBondContact OD1-N 2.68Å; N152-N154 PolarHBondContact OD1-ND2 2.65Å; N154-F156 VanDerWaalsContact C-N 3.27Å; N154-F156 HydrophobicContact CB-CD1 4.11Å; N154-F156 HydrophobicContact CB-CD2 4.08Å; N154-F156 HydrophobicContact CB-CE1 3.89Å; N154-F156 HydrophobicContact CB-CE2 3.85Å; N154-F156 HydrophobicContact CB-CG 4.2Å; N154-F156 HydrophobicContact CB-CZ 3.76Å; N154-F156 VanDerWaalsContact OD1-CZ 3.24Å; N154-F156 WeakPolarHBondContact OD1-CZ 3.39Å; N154-P187 WeakPolarHBondContact O-CA 3.24Å; N154-L188 PolarHBondContact O-N 3.45Å |
| 155 | F | 93.7 | Very high | 94.8 | Very high | 78 Ų | 78 | 24 Ų | 24 | 34% | 0.342 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -86.7 | 5.2 | 172.8 | -61.7 | -82.2 | 0 | 0 | 0 | 113.3 | F112 F113 L188 | F112-F155 AromaticContact CE1-CE2 3.98Å; F112-F155 HydrophobicContact CE1-CE2 3.98Å; F112-F155 HydrophobicContact CE1-CZ 4.12Å; F112-F155 HydrophobicContact CZ-CE2 4.5Å; F113-F155 HydrophobicContact CD1-CB 4.3Å; F113-F155 HydrophobicContact CD1-CD1 4.11Å; F113-F155 AromaticContact CD1-CD2 3.81Å; F113-F155 HydrophobicContact CD1-CD2 3.81Å; F113-F155 HydrophobicContact CD1-CE1 4.38Å; F113-F155 HydrophobicContact CD1-CE2 4.1Å; F113-F155 AromaticContact CD1-CG 3.82Å; F113-F155 HydrophobicContact CD1-CG 3.82Å; F113-F155 HydrophobicContact CD1-CZ 4.38Å; F113-F155 HydrophobicContact CE1-CD1 4.27Å; F113-F155 HydrophobicContact CE1-CE1 4.22Å; F113-F155 HydrophobicContact CE1-CE2 4.49Å; F113-F155 HydrophobicContact CE1-CG 4.43Å; F113-F155 HydrophobicContact CE1-CZ 4.33Å; F155-L188 HydrophobicContact CD1-CD1 3.92Å; F155-L188 HydrophobicContact CD1-CD2 4.4Å; F155-L188 HydrophobicContact CD1-CG 4.31Å; F155-L188 HydrophobicContact CE1-CD1 3.84Å; F155-L188 HydrophobicContact CE1-CD2 4.28Å; F155-L188 HydrophobicContact CE1-CG 4.46Å |
| 156 | F | 92.6 | Very high | 94.9 | Very high | 27 Ų | 27 | 26.8 Ų | 26.8 | 12% | 0.118 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -127.8 | 163.1 | 177.4 | 52.8 | -99.2 | 0 | 0 | 0 | 111.1 | P116 N152 N154 V158 Y234 | P116-F156 HydrophobicContact CB-CZ 4.11Å; N152-F156 PolarHBondContact ND2-O 2.85Å; N154-F156 VanDerWaalsContact C-N 3.27Å; N154-F156 HydrophobicContact CB-CD1 4.11Å; N154-F156 HydrophobicContact CB-CD2 4.08Å; N154-F156 HydrophobicContact CB-CE1 3.89Å; N154-F156 HydrophobicContact CB-CE2 3.85Å; N154-F156 HydrophobicContact CB-CG 4.2Å; N154-F156 HydrophobicContact CB-CZ 3.76Å; N154-F156 VanDerWaalsContact OD1-CZ 3.24Å; N154-F156 WeakPolarHBondContact OD1-CZ 3.39Å; F156-V158 HydrophobicContact CD2-CG2 4.29Å; F156-V158 HydrophobicContact CE2-CG2 4.13Å; F156-Y234 AromaticContact CE2-CD2 3.81Å; F156-Y234 HydrophobicContact CE2-CD2 3.81Å; F156-Y234 AromaticContact CE2-CG 3.89Å; F156-Y234 HydrophobicContact CE2-CG 3.89Å; F156-Y234 HydrophobicContact CZ-CD2 4.1Å |
| 157 | T | 93.6 | Very high | 95 | Very high | 78 Ų | 78 | 26.7 Ų | 26.7 | 48% | 0.479 | 15% | 0.146 | S | C | . | . | trans | -73.5 | 141.5 | 178.6 | 48.4 | 0 | 0 | 0 | 0 | 111.1 | I185 P187 | T157-I185 WeakPolarHBondContact CA-O 3.35Å; T157-P187 HydrophobicContact CG2-CG 4.27Å | ||
| 158 | V | 94.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 137.1 | 175.6 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | V119 F156 I185 T232 Y234 | V119-V158 HydrophobicContact CG2-CB 4.36Å; V119-V158 HydrophobicContact CG2-CG1 4.05Å; V119-V158 HydrophobicContact CG2-CG2 3.98Å; F156-V158 HydrophobicContact CD2-CG2 4.29Å; F156-V158 HydrophobicContact CE2-CG2 4.13Å; V158-I185 PolarHBondContact N-O 2.91Å; V158-I185 VanDerWaalsContact N-O 3.09Å; V158-I185 PolarHBondContact O-N 3.09Å; V158-T232 HydrophobicContact CG1-CG2 4.35Å; V158-Y234 HydrophobicContact CG1-CD1 4.14Å; V158-Y234 HydrophobicContact CG2-CD1 4.46Å |
| 159 | M | 94.6 | Very high | 95.1 | Very high | 79 Ų | 79 | 28.5 Ų | 28.5 | 39% | 0.389 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 135.9 | 175.3 | -176.4 | 176.4 | -73.1 | 0 | 0 | 109.9 | T184 T232 S233 | M159-T184 HydrophobicContact CB-CG2 4.39Å; M159-T184 HydrophobicContact CE-CG2 3.96Å; M159-T184 HydrophobicContact CG-CG2 4.25Å; M159-T232 CarbonylContact O-C 3.54Å; M159-T232 WeakPolarHBondContact O-CA 3.48Å; M159-S233 PolarHBondContact N-O 3.09Å; M159-S233 PolarHBondContact O-N 2.85Å |
| 160 | V | 95.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 97.4 | 170 | -176.8 | 0 | 0 | 0 | 0 | 107.6 | V182 I183 I185 V230 K231 T232 | V160-V182 HydrophobicContact CB-CB 4.11Å; V160-V182 HydrophobicContact CG1-CB 3.86Å; V160-V182 HydrophobicContact CG1-CG2 3.92Å; V160-V182 PolarHBondContact O-N 2.83Å; V160-I183 HydrophobicContact CB-CG1 4.11Å; V160-I183 HydrophobicContact CG2-CD1 4.38Å; V160-I183 HydrophobicContact CG2-CG1 3.76Å; V160-I183 PolarHBondContact N-O 2.85Å; V160-I185 HydrophobicContact CG2-CD1 3.78Å; V160-I185 HydrophobicContact CG2-CG1 4.24Å; V160-V230 HydrophobicContact CG1-CG1 3.74Å; V160-K231 CarbonylContact C-O 3.55Å; V160-T232 HydrophobicContact CG2-CG2 4.24Å |
| 161 | D | 94.6 | Very high | 94.5 | Very high | 34 Ų | 34 | 42.7 Ų | 42.7 | 18% | 0.182 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | -47.1 | -174.4 | -59.6 | -33.2 | 0 | 0 | 0 | 111.5 | D180 N181 K231 S233 | D161-D180 CarbonylContact O-C 3.58Å; D161-D180 VanDerWaalsContact O-CA 3.31Å; D161-D180 WeakPolarHBondContact O-CA 3.33Å; D161-N181 PolarHBondContact O-N 2.59Å; D161-K231 HydrophobicContact CB-CB 4.49Å; D161-K231 HydrophobicContact CB-CD 4.47Å; D161-K231 HydrophobicContact CB-CG 4.37Å; D161-K231 PolarHBondContact N-O 3.27Å; D161-S233 VanDerWaalsContact CG-OG 3.32Å; D161-S233 WeakPolarHBondContact OD1-CB 3.39Å; D161-S233 PolarHBondContact OD1-OG 2.84Å; D161-S233 WeakPolarHBondContact OD2-CB 3.43Å; D161-S233 PolarHBondContact OD2-N 3.28Å; D161-S233 PolarHBondContact OD2-OG 2.81Å |
| 162 | S | 95.9 | Very high | 94.3 | Very high | 23 Ų | 23 | 43.6 Ų | 43.6 | 16% | 0.161 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 143.3 | -180 | 69.9 | 0 | 0 | 0 | 0 | 112.2 | L179 D180 V230 K231 | S162-L179 CarbonylContact C-O 3.49Å; S162-L179 VanDerWaalsContact CA-O 3.26Å; S162-L179 WeakPolarHBondContact CA-O 3.34Å; S162-D180 WeakPolarHBondContact CB-OD1 3.47Å; S162-V230 WeakPolarHBondContact O-CA 3.44Å; S162-K231 PolarHBondContact N-O 3.04Å; S162-K231 PolarHBondContact O-N 3.3Å; S162-K231 WeakPolarHBondContact OG-CB 3.38Å |
| 163 | L | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 116.8 | 170.6 | -176.1 | 159.5 | 0 | 0 | 0 | 106.3 | L148 M177 Q178 L179 V182 F195 | L148-L163 HydrophobicContact CD1-CD1 3.55Å; L148-L163 HydrophobicContact CD1-CG 4.19Å; L163-M177 HydrophobicContact CD2-CE 3.43Å; L163-M177 VanDerWaalsContact CD2-CE 3.43Å; L163-M177 HydrophobicContact CD2-SD 4.09Å; L163-M177 WeakPolarHBondContact O-CE 3.42Å; L163-Q178 CarbonylContact O-C 3.59Å; L163-Q178 WeakPolarHBondContact O-CA 3.48Å; L163-L179 HydrophobicContact CB-CB 4.48Å; L163-L179 PolarHBondContact N-O 2.84Å; L163-L179 PolarHBondContact O-N 2.85Å; L163-V182 HydrophobicContact CB-CG2 3.82Å; L163-F195 HydrophobicContact CD1-CD1 4.27Å; L163-F195 HydrophobicContact CD1-CG 4.48Å; L163-F195 HydrophobicContact CD2-CB 4.26Å; L163-F195 HydrophobicContact CD2-CD1 4.33Å; L163-F195 HydrophobicContact CD2-CD2 3.92Å; L163-F195 HydrophobicContact CD2-CE2 4.34Å; L163-F195 HydrophobicContact CD2-CG 3.89Å |
| 164 | S | 96.7 | Very high | 94.3 | Very high | 36 Ų | 36 | 45.6 Ų | 45.6 | 25% | 0.252 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 136.4 | 175.8 | 57.3 | 0 | 0 | 0 | 0 | 109.1 | M177 T228 S229 | S164-M177 CarbonylContact C-O 3.5Å; S164-M177 VanDerWaalsContact CA-O 3.29Å; S164-M177 WeakPolarHBondContact CA-O 3.39Å; S164-T228 CarbonylContact O-C 3.54Å; S164-T228 WeakPolarHBondContact O-CA 3.03Å; S164-S229 PolarHBondContact N-O 2.77Å; S164-S229 PolarHBondContact O-N 2.83Å; S164-S229 WeakPolarHBondContact OG-CB 3.1Å; S164-S229 PolarHBondContact OG-O 3.43Å; S164-S229 VanDerWaalsContact OG-O 3.12Å |
| 165 | C | 96.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.007 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 130.1 | 176.8 | -171.1 | 0 | 0 | 0 | 0 | 109.3 | T176 M177 F195 V197 Q227 T228 | C165-T176 CarbonylContact O-C 3.6Å; C165-T176 WeakPolarHBondContact O-CA 3.37Å; C165-M177 PolarHBondContact N-O 2.85Å; C165-M177 PolarHBondContact O-N 2.87Å; C165-F195 HydrophobicContact CB-CD2 4.36Å; C165-F195 HydrophobicContact CB-CE2 3.79Å; C165-V197 HydrophobicContact CB-CG2 3.89Å; C165-Q227 CarbonylContact C-O 3.54Å; C165-Q227 WeakPolarHBondContact CA-O 3.45Å; C165-T228 PolarHBondContact SG-OG1 2.94Å; C165-T228 VanDerWaalsContact SG-OG1 3.32Å |
| 166 | Q | 97 | Very high | 94.5 | Very high | 86 Ų | 86 | 46.7 Ų | 46.7 | 40% | 0.402 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 132.4 | 172.3 | -59 | -173.9 | -3.9 | 0 | 0 | 108.4 | L168 G175 T176 Q227 | Q166-L168 HydrophobicContact CB-CD1 4.12Å; Q166-G175 WeakPolarHBondContact CA-O 3.34Å; Q166-T176 HydrophobicContact CG-CG2 4.21Å; Q166-Q227 PolarHBondContact N-O 3.24Å; Q166-Q227 PolarHBondContact O-N 3.33Å |
| 167 | V | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 123.5 | 175.9 | -177.4 | 0 | 0 | 0 | 0 | 107.9 | I174 G175 V197 V199 V224 I225 M226 | V167-I174 HydrophobicContact CB-CG1 4.44Å; V167-I174 HydrophobicContact CG1-CD1 4.23Å; V167-I174 HydrophobicContact CG1-CG1 4.08Å; V167-I174 VanDerWaalsContact O-CG1 3.31Å; V167-I174 WeakPolarHBondContact O-CG1 3.13Å; V167-I174 PolarHBondContact O-N 2.9Å; V167-G175 PolarHBondContact N-O 2.9Å; V167-G175 PolarHBondContact O-N 3.32Å; V167-V197 HydrophobicContact CG2-CB 4.23Å; V167-V197 HydrophobicContact CG2-CG1 3.69Å; V167-V199 HydrophobicContact CB-CG2 3.86Å; V167-V199 HydrophobicContact CG1-CG2 3.87Å; V167-V199 HydrophobicContact CG2-CG2 4Å; V167-V224 HydrophobicContact CG1-CB 3.82Å; V167-V224 HydrophobicContact CG1-CG1 4.22Å; V167-V224 HydrophobicContact CG1-CG2 4.03Å; V167-I225 CarbonylContact C-O 3.6Å; V167-I225 WeakPolarHBondContact CA-O 3.44Å; V167-M226 HydrophobicContact CG2-CE 4.42Å; V167-M226 HydrophobicContact CG2-CG 4.34Å |
| 168 | L | 95.5 | Very high | 94.8 | Very high | 18 Ų | 18 | 48.8 Ų | 48.8 | 9% | 0.094 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 140.9 | -177.9 | -59 | 83 | 0 | 0 | 0 | 110.2 | Q166 T172 V173 V224 I225 Q227 | Q166-L168 HydrophobicContact CB-CD1 4.12Å; L168-T172 CarbonylContact C-O 3.57Å; L168-T172 VanDerWaalsContact CA-O 3.23Å; L168-T172 WeakPolarHBondContact CA-O 3.36Å; L168-V173 HydrophobicContact CD2-CG2 4.35Å; L168-V173 HydrophobicContact CG-CG2 4.13Å; L168-V224 CarbonylContact O-C 3.52Å; L168-V224 WeakPolarHBondContact O-CA 3.48Å; L168-I225 HydrophobicContact CB-CB 4.31Å; L168-I225 PolarHBondContact N-O 3.47Å; L168-I225 PolarHBondContact O-N 2.97Å; L168-Q227 HydrophobicContact CD1-CB 4.21Å; L168-Q227 HydrophobicContact CD1-CG 3.93Å |
| 169 | Y | 94.2 | Very high | 94.8 | Very high | 20 Ų | 20 | 52 Ų | 52 | 8% | 0.078 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 123.1 | 168.6 | 175.8 | -98.9 | 0 | 0 | 0 | 108.8 | K171 T172 I174 T205 Y207 V208 I222 L223 | Y169-K171 PolarHBondContact O-N 2.82Å; Y169-K171 VanDerWaalsContact O-N 3.13Å; Y169-T172 PolarHBondContact N-O 2.87Å; Y169-T172 WeakPolarHBondContact O-CB 3.18Å; Y169-T172 PolarHBondContact O-N 3.31Å; Y169-I174 VanDerWaalsContact CB-CD1 3.48Å; Y169-I174 HydrophobicContact CG-CD1 4.48Å; Y169-T205 HydrophobicContact CD1-CG2 4.03Å; Y169-T205 HydrophobicContact CE1-CG2 4.31Å; Y169-Y207 WeakPolarHBondContact CE1-OH 3.33Å; Y169-V208 HydrophobicContact CE1-CG2 3.78Å; Y169-I222 HydrophobicContact CE2-CB 4.12Å; Y169-I222 HydrophobicContact CE2-CG2 4.45Å; Y169-L223 WeakPolarHBondContact CD2-O 3.4Å |
| 170 | M | 89.6 | Confident | 94.8 | Very high | 140 Ų | 140 | 52.8 Ų | 52.8 | 69% | 0.69 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 40.3 | -173.7 | -61 | -64.5 | -176.4 | 0 | 0 | 112.8 | T172 | M170-T172 PolarHBondContact O-N 2.77Š|
| 171 | K | 87.7 | Confident | 94.5 | Very high | 184 Ų | 184 | 58.8 Ų | 58.8 | 80% | 0.8 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 3.3 | -175.4 | -51 | 178.9 | 177.9 | 177.7 | 0 | 116.5 | Y169 | Y169-K171 PolarHBondContact O-N 2.82Å; Y169-K171 VanDerWaalsContact O-N 3.13Å |
| 172 | T | 92.6 | Very high | 94.3 | Very high | 66 Ų | 66 | 58.5 Ų | 58.5 | 41% | 0.405 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 129.5 | 171.3 | -58.4 | 0 | 0 | 0 | 0 | 109.6 | L168 Y169 M170 I174 | L168-T172 CarbonylContact C-O 3.57Å; L168-T172 VanDerWaalsContact CA-O 3.23Å; L168-T172 WeakPolarHBondContact CA-O 3.36Å; Y169-T172 PolarHBondContact N-O 2.87Å; Y169-T172 WeakPolarHBondContact O-CB 3.18Å; Y169-T172 PolarHBondContact O-N 3.31Å; M170-T172 PolarHBondContact O-N 2.77Å; T172-I174 PolarHBondContact O-N 2.86Å |
| 173 | V | 94.6 | Very high | 94.2 | Very high | 71 Ų | 71 | 59.7 Ų | 59.7 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 118.9 | 175.8 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | L168 T176 | L168-V173 HydrophobicContact CD2-CG2 4.35Å; L168-V173 HydrophobicContact CG-CG2 4.13Å; V173-T176 HydrophobicContact CG1-CG2 3.58Å |
| 174 | I | 94.6 | Very high | 94.1 | Very high | 14 Ų | 14 | 63.4 Ų | 63.4 | 7% | 0.072 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | -7.5 | -178.6 | 55.6 | 168.5 | 0 | 0 | 0 | 112.7 | V167 Y169 T172 V199 Q200 I201 V224 | V167-I174 HydrophobicContact CB-CG1 4.44Å; V167-I174 HydrophobicContact CG1-CD1 4.23Å; V167-I174 HydrophobicContact CG1-CG1 4.08Å; V167-I174 VanDerWaalsContact O-CG1 3.31Å; V167-I174 WeakPolarHBondContact O-CG1 3.13Å; V167-I174 PolarHBondContact O-N 2.9Å; Y169-I174 VanDerWaalsContact CB-CD1 3.48Å; Y169-I174 HydrophobicContact CG-CD1 4.48Å; T172-I174 PolarHBondContact O-N 2.86Å; I174-V199 HydrophobicContact CB-CG1 4.03Å; I174-V199 HydrophobicContact CD1-CG1 3.39Å; I174-V199 HydrophobicContact CG1-CG1 3.66Å; I174-V199 WeakPolarHBondContact O-CA 3.37Å; I174-Q200 PolarHBondContact O-N 3.32Å; I174-I201 HydrophobicContact CB-CG1 4.49Å; I174-I201 HydrophobicContact CD1-CD1 4.09Å; I174-I201 HydrophobicContact CD1-CG1 3.97Å; I174-V224 HydrophobicContact CD1-CG1 4.24Å |
| 175 | G | 94.8 | Very high | 94 | Very high | 9 Ų | 9 | 61.7 Ų | 61.7 | 9% | 0.093 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 145.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q166 V167 S198 | Q166-G175 WeakPolarHBondContact CA-O 3.34Å; V167-G175 PolarHBondContact N-O 2.9Å; V167-G175 PolarHBondContact O-N 3.32Å; G175-S198 WeakPolarHBondContact CA-O 3.29Å |
| 176 | T | 96.4 | Very high | 94 | Very high | 94 Ų | 94 | 66.8 Ų | 66.8 | 58% | 0.577 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 143.2 | 175.8 | 57.8 | 0 | 0 | 0 | 0 | 109.4 | C165 Q166 V173 | C165-T176 CarbonylContact O-C 3.6Å; C165-T176 WeakPolarHBondContact O-CA 3.37Å; Q166-T176 HydrophobicContact CG-CG2 4.21Å; V173-T176 HydrophobicContact CG1-CG2 3.58Å |
| 177 | M | 95.9 | Very high | 93.8 | Very high | 22 Ų | 22 | 65.1 Ų | 65.1 | 11% | 0.108 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 140.2 | 176.7 | -178.2 | -117.4 | 86.2 | 0 | 0 | 108.6 | L163 S164 C165 L179 F195 T196 V197 | L163-M177 HydrophobicContact CD2-CE 3.43Å; L163-M177 VanDerWaalsContact CD2-CE 3.43Å; L163-M177 HydrophobicContact CD2-SD 4.09Å; L163-M177 WeakPolarHBondContact O-CE 3.42Å; S164-M177 CarbonylContact C-O 3.5Å; S164-M177 VanDerWaalsContact CA-O 3.29Å; S164-M177 WeakPolarHBondContact CA-O 3.39Å; C165-M177 PolarHBondContact N-O 2.85Å; C165-M177 PolarHBondContact O-N 2.87Å; M177-L179 HydrophobicContact CE-CB 3.89Å; M177-L179 HydrophobicContact CE-CD1 3.27Å; M177-L179 HydrophobicContact CE-CG 4.15Å; M177-L179 HydrophobicContact CG-CD1 4.08Å; M177-L179 HydrophobicContact SD-CD1 3.54Å; M177-L179 VanDerWaalsContact SD-CD1 3.54Å; M177-F195 HydrophobicContact SD-CB 3.93Å; M177-F195 HydrophobicContact SD-CD2 3.66Å; M177-F195 HydrophobicContact SD-CG 4.23Å; M177-T196 WeakPolarHBondContact CG-O 3.37Å; M177-V197 HydrophobicContact CB-CB 4.25Å; M177-V197 HydrophobicContact CB-CG1 3.98Å; M177-V197 HydrophobicContact CB-CG2 3.84Å; M177-V197 HydrophobicContact CG-CG2 4.32Å; M177-V197 HydrophobicContact SD-CG2 4.25Å |
| 178 | Q | 95.6 | Very high | 93.7 | Very high | 126 Ų | 126 | 70.2 Ų | 70.2 | 59% | 0.589 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 129.4 | 171.4 | -175.7 | 174.7 | -5.4 | 0 | 0 | 109.9 | L163 D180 | L163-Q178 CarbonylContact O-C 3.59Å; L163-Q178 WeakPolarHBondContact O-CA 3.48Å; Q178-D180 PolarHBondContact NE2-OD1 3.35Å |
| 179 | L | 95.2 | Very high | 93.7 | Very high | 68 Ų | 68 | 70.9 Ų | 70.9 | 36% | 0.356 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 131.8 | 171.9 | -98.2 | 76.9 | 0 | 0 | 0 | 107 | S162 L163 M177 V182 | S162-L179 CarbonylContact C-O 3.49Å; S162-L179 VanDerWaalsContact CA-O 3.26Å; S162-L179 WeakPolarHBondContact CA-O 3.34Å; L163-L179 HydrophobicContact CB-CB 4.48Å; L163-L179 PolarHBondContact N-O 2.84Å; L163-L179 PolarHBondContact O-N 2.85Å; M177-L179 HydrophobicContact CE-CB 3.89Å; M177-L179 HydrophobicContact CE-CD1 3.27Å; M177-L179 HydrophobicContact CE-CG 4.15Å; M177-L179 HydrophobicContact CG-CD1 4.08Å; M177-L179 HydrophobicContact SD-CD1 3.54Å; M177-L179 VanDerWaalsContact SD-CD1 3.54Å; L179-V182 HydrophobicContact CB-CG2 4.03Å |
| 180 | D | 94.3 | Very high | 93.7 | Very high | 96 Ų | 96 | 75.5 Ų | 75.5 | 51% | 0.513 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 152.5 | 175.2 | -56.8 | -45.7 | 0 | 0 | 0 | 109.8 | D161 S162 Q178 | D161-D180 CarbonylContact O-C 3.58Å; D161-D180 VanDerWaalsContact O-CA 3.31Å; D161-D180 WeakPolarHBondContact O-CA 3.33Å; S162-D180 WeakPolarHBondContact CB-OD1 3.47Å; Q178-D180 PolarHBondContact NE2-OD1 3.35Å |
| 181 | N | 90.4 | Very high | 93.9 | Very high | 127 Ų | 127 | 70.9 Ų | 70.9 | 68% | 0.679 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.2 | 55.7 | -176.4 | -57.8 | -72.3 | 0 | 0 | 0 | 112.4 | D161 | D161-N181 PolarHBondContact O-N 2.59Å |
| 182 | V | 90.1 | Very high | 94.2 | Very high | 27 Ų | 27 | 66.5 Ų | 66.5 | 16% | 0.164 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | -61.2 | -166.1 | -170.5 | 0 | 0 | 0 | 0 | 111.2 | V160 L163 L179 V193 | V160-V182 HydrophobicContact CB-CB 4.11Å; V160-V182 HydrophobicContact CG1-CB 3.86Å; V160-V182 HydrophobicContact CG1-CG2 3.92Å; V160-V182 PolarHBondContact O-N 2.83Å; L163-V182 HydrophobicContact CB-CG2 3.82Å; L179-V182 HydrophobicContact CB-CG2 4.03Å; V182-V193 HydrophobicContact CG1-CG1 3.79Å |
| 183 | I | 94.1 | Very high | 94.3 | Very high | 48 Ų | 48 | 64.1 Ų | 64.1 | 25% | 0.246 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 162.2 | -179.7 | 57.8 | 158.5 | 0 | 0 | 0 | 111.4 | F150 V160 I185 T191 V193 | F150-I183 HydrophobicContact CD2-CD1 4.21Å; V160-I183 HydrophobicContact CB-CG1 4.11Å; V160-I183 HydrophobicContact CG2-CD1 4.38Å; V160-I183 HydrophobicContact CG2-CG1 3.76Å; V160-I183 PolarHBondContact N-O 2.85Å; I183-I185 HydrophobicContact CD1-CD1 4.47Å; I183-I185 HydrophobicContact CD1-CG1 3.78Å; I183-I185 HydrophobicContact CG1-CG1 4.35Å; I183-T191 WeakPolarHBondContact CD1-OG1 3.35Å; I183-V193 HydrophobicContact CD1-CG2 3.41Å; I183-V193 VanDerWaalsContact CD1-CG2 3.41Å; I183-V193 HydrophobicContact CG1-CG2 3.87Å; I183-V193 HydrophobicContact CG2-CG2 3.88Å |
| 184 | T | 94 | Very high | 94.3 | Very high | 79 Ų | 79 | 65.2 Ų | 65.2 | 49% | 0.485 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 130 | 163.6 | 54 | 0 | 0 | 0 | 0 | 109.8 | M159 | M159-T184 HydrophobicContact CB-CG2 4.39Å; M159-T184 HydrophobicContact CE-CG2 3.96Å; M159-T184 HydrophobicContact CG-CG2 4.25Å |
| 185 | I | 94.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 125.5 | -177.6 | -49.1 | 162.4 | 0 | 0 | 0 | 108.2 | V119 F150 N152 T157 V158 V160 I183 S189 T191 | V119-I185 HydrophobicContact CG1-CD1 4.35Å; F150-I185 HydrophobicContact CB-CD1 3.64Å; F150-I185 HydrophobicContact CB-CG1 4.42Å; F150-I185 HydrophobicContact CD1-CD1 4.24Å; F150-I185 HydrophobicContact CG-CD1 4.05Å; N152-I185 HydrophobicContact CB-CB 4.26Å; N152-I185 HydrophobicContact CB-CG2 3.49Å; N152-I185 VanDerWaalsContact CB-CG2 3.49Å; T157-I185 WeakPolarHBondContact CA-O 3.35Å; V158-I185 PolarHBondContact N-O 2.91Å; V158-I185 VanDerWaalsContact N-O 3.09Å; V158-I185 PolarHBondContact O-N 3.09Å; V160-I185 HydrophobicContact CG2-CD1 3.78Å; V160-I185 HydrophobicContact CG2-CG1 4.24Å; I183-I185 HydrophobicContact CD1-CD1 4.47Å; I183-I185 HydrophobicContact CD1-CG1 3.78Å; I183-I185 HydrophobicContact CG1-CG1 4.35Å; I185-S189 WeakPolarHBondContact CG2-OG 3.48Å; I185-T191 HydrophobicContact CG2-CG2 4.44Å |
| 186 | Q | 95.2 | Very high | 94.3 | Very high | 108 Ų | 108 | 67.5 Ų | 67.5 | 51% | 0.505 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 159.3 | 179.9 | -64.2 | -59.9 | -33.9 | 0 | 0 | 111.4 | N152 S189 | N152-Q186 PolarHBondContact ND2-O 2.69Å; Q186-S189 VanDerWaalsContact C-OG 3.29Å; Q186-S189 WeakPolarHBondContact CA-OG 3.4Å; Q186-S189 WeakPolarHBondContact CB-OG 3.4Å; Q186-S189 PolarHBondContact N-OG 2.96Å; Q186-S189 PolarHBondContact O-N 2.99Å; Q186-S189 PolarHBondContact O-OG 3.37Å |
| 187 | P | 94.3 | Very high | 94.3 | Very high | 50 Ų | 50 | 63 Ų | 63 | 33% | 0.325 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 141 | 174 | -22.9 | 34.3 | 0 | 0 | 0 | 111.4 | N154 T157 S189 | N154-P187 WeakPolarHBondContact O-CA 3.24Å; T157-P187 HydrophobicContact CG2-CG 4.27Å; P187-S189 PolarHBondContact O-N 2.89Å |
| 188 | L | 93.8 | Very high | 94.3 | Very high | 108 Ų | 108 | 65.5 Ų | 65.5 | 57% | 0.565 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 32.9 | 175.9 | -55.5 | 175.4 | 0 | 0 | 0 | 114 | N152 N154 F155 | N152-L188 CarbonylContact O-C 3.51Å; N152-L188 WeakPolarHBondContact O-CA 3.28Å; N152-L188 PolarHBondContact O-N 3.06Å; N154-L188 PolarHBondContact O-N 3.45Å; F155-L188 HydrophobicContact CD1-CD1 3.92Å; F155-L188 HydrophobicContact CD1-CD2 4.4Å; F155-L188 HydrophobicContact CD1-CG 4.31Å; F155-L188 HydrophobicContact CE1-CD1 3.84Å; F155-L188 HydrophobicContact CE1-CD2 4.28Å; F155-L188 HydrophobicContact CE1-CG 4.46Å |
| 189 | S | 95.4 | Very high | 94.3 | Very high | 31 Ų | 31 | 59.8 Ų | 59.8 | 22% | 0.217 | 33% | 0.327 | C | S | . | . | trans | -122.2 | 161.6 | -174.5 | 77.1 | 0 | 0 | 0 | 0 | 112.8 | N152 I185 Q186 P187 | N152-S189 PolarHBondContact N-O 2.8Å; N152-S189 PolarHBondContact O-N 3.09Å; I185-S189 WeakPolarHBondContact CG2-OG 3.48Å; Q186-S189 VanDerWaalsContact C-OG 3.29Å; Q186-S189 WeakPolarHBondContact CA-OG 3.4Å; Q186-S189 WeakPolarHBondContact CB-OG 3.4Å; Q186-S189 PolarHBondContact N-OG 2.96Å; Q186-S189 PolarHBondContact O-N 2.99Å; Q186-S189 PolarHBondContact O-OG 3.37Å; P187-S189 PolarHBondContact O-N 2.89Å | ||
| 190 | Q | 94.9 | Very high | 94.2 | Very high | 117 Ų | 117 | 61.1 Ų | 61.1 | 55% | 0.547 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 133.6 | 176.2 | -174.2 | 171.6 | 20.1 | 0 | 0 | 109.5 | N149 F150 T151 | N149-Q190 PolarHBondContact ND2-NE2 2.86Å; N149-Q190 WeakPolarHBondContact OD1-CG 3.36Å; N149-Q190 PolarHBondContact OD1-NE2 3.3Å; F150-Q190 CarbonylContact O-C 3.48Å; F150-Q190 VanDerWaalsContact O-CA 3.25Å; F150-Q190 WeakPolarHBondContact O-CA 3.46Å; F150-Q190 WeakPolarHBondContact O-CG 3.36Å; T151-Q190 PolarHBondContact OG1-NE2 2.82Å |
| 191 | T | 93.7 | Very high | 94.1 | Very high | 43 Ų | 43 | 56.6 Ų | 56.6 | 26% | 0.264 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 144.2 | -179 | 55.8 | 0 | 0 | 0 | 0 | 111 | F150 I183 I185 | F150-T191 PolarHBondContact N-O 3.45Å; F150-T191 PolarHBondContact O-N 2.78Å; I183-T191 WeakPolarHBondContact CD1-OG1 3.35Å; I185-T191 HydrophobicContact CG2-CG2 4.44Å |
| 192 | Q | 94.3 | Very high | 94 | Very high | 92 Ų | 92 | 52.6 Ų | 52.6 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 135.8 | 179.1 | 176.4 | 160.4 | 62 | 0 | 0 | 110.2 | D124 S147 L148 | D124-Q192 PolarHBondContact OD2-NE2 3.01Å; S147-Q192 WeakPolarHBondContact OG-CG 3.5Å; S147-Q192 PolarHBondContact OG-NE2 2.92Å; L148-Q192 WeakPolarHBondContact O-CA 3.35Å |
| 193 | V | 93.9 | Very high | 93.8 | Very high | 17 Ų | 17 | 54 Ų | 54 | 10% | 0.103 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 130 | 177.7 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | S147 L148 F150 V182 I183 | S147-V193 WeakPolarHBondContact CA-O 3.48Å; S147-V193 PolarHBondContact OG-O 3.49Å; L148-V193 PolarHBondContact N-O 3.47Å; L148-V193 PolarHBondContact O-N 2.89Å; F150-V193 HydrophobicContact CD2-CB 4.48Å; F150-V193 HydrophobicContact CD2-CG2 3.97Å; F150-V193 HydrophobicContact CE2-CB 3.97Å; F150-V193 HydrophobicContact CE2-CG2 3.79Å; V182-V193 HydrophobicContact CG1-CG1 3.79Å; I183-V193 HydrophobicContact CD1-CG2 3.41Å; I183-V193 VanDerWaalsContact CD1-CG2 3.41Å; I183-V193 HydrophobicContact CG1-CG2 3.87Å; I183-V193 HydrophobicContact CG2-CG2 3.88Å |
| 194 | N | 95 | Very high | 93.4 | Very high | 94 Ų | 94 | 56.6 Ų | 56.6 | 50% | 0.503 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 138 | 173.4 | -60.2 | -24.9 | 0 | 0 | 0 | 109.6 | T145 S146 S147 | T145-N194 HydrophobicContact CG2-CB 4.34Å; S146-N194 WeakPolarHBondContact O-CA 3.45Å; S147-N194 VanDerWaalsContact CB-OD1 3.24Å; S147-N194 WeakPolarHBondContact CB-OD1 3.36Å; S147-N194 PolarHBondContact OG-OD1 2.91Å |
| 195 | F | 94.5 | Very high | 93.1 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 2% | 0.022 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 146.7 | 177.2 | 65.6 | -77.9 | 0 | 0 | 0 | 109.6 | T145 S146 L148 L163 C165 M177 V197 M226 | T145-F195 CarbonylContact C-O 3.57Å; T145-F195 WeakPolarHBondContact CA-O 3.44Å; S146-F195 PolarHBondContact N-O 2.68Å; S146-F195 WeakPolarHBondContact O-CD1 3.23Å; S146-F195 PolarHBondContact O-N 3.01Å; L148-F195 HydrophobicContact CD1-CE1 4.15Å; L148-F195 HydrophobicContact CD2-CE1 4.36Å; L148-F195 HydrophobicContact CG-CD1 4.36Å; L148-F195 HydrophobicContact CG-CE1 3.7Å; L148-F195 HydrophobicContact CG-CZ 4.45Å; L163-F195 HydrophobicContact CD1-CD1 4.27Å; L163-F195 HydrophobicContact CD1-CG 4.48Å; L163-F195 HydrophobicContact CD2-CB 4.26Å; L163-F195 HydrophobicContact CD2-CD1 4.33Å; L163-F195 HydrophobicContact CD2-CD2 3.92Å; L163-F195 HydrophobicContact CD2-CE2 4.34Å; L163-F195 HydrophobicContact CD2-CG 3.89Å; C165-F195 HydrophobicContact CB-CD2 4.36Å; C165-F195 HydrophobicContact CB-CE2 3.79Å; M177-F195 HydrophobicContact SD-CB 3.93Å; M177-F195 HydrophobicContact SD-CD2 3.66Å; M177-F195 HydrophobicContact SD-CG 4.23Å; F195-V197 HydrophobicContact CD2-CG2 3.85Å; F195-V197 HydrophobicContact CE2-CG2 3.83Å; F195-M226 HydrophobicContact CE2-CE 4.36Å; F195-M226 HydrophobicContact CZ-CE 4.5Å |
| 196 | T | 95.1 | Very high | 92.7 | Very high | 66 Ų | 66 | 55.8 Ų | 55.8 | 41% | 0.405 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127.2 | -178 | -56.6 | 0 | 0 | 0 | 0 | 109.8 | N143 M144 T145 M177 | N143-T196 HydrophobicContact CB-CG2 4.35Å; M144-T196 CarbonylContact O-C 3.59Å; M144-T196 VanDerWaalsContact O-CA 3.26Å; M144-T196 WeakPolarHBondContact O-CA 3.37Å; T145-T196 PolarHBondContact OG1-OG1 2.94Å; M177-T196 WeakPolarHBondContact CG-O 3.37Å |
| 197 | V | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125 | 175.8 | -171 | 0 | 0 | 0 | 0 | 109.1 | M144 C165 V167 M177 F195 V199 | M144-V197 PolarHBondContact N-O 2.9Å; M144-V197 PolarHBondContact O-N 2.77Å; C165-V197 HydrophobicContact CB-CG2 3.89Å; V167-V197 HydrophobicContact CG2-CB 4.23Å; V167-V197 HydrophobicContact CG2-CG1 3.69Å; M177-V197 HydrophobicContact CB-CB 4.25Å; M177-V197 HydrophobicContact CB-CG1 3.98Å; M177-V197 HydrophobicContact CB-CG2 3.84Å; M177-V197 HydrophobicContact CG-CG2 4.32Å; M177-V197 HydrophobicContact SD-CG2 4.25Å; F195-V197 HydrophobicContact CD2-CG2 3.85Å; F195-V197 HydrophobicContact CE2-CG2 3.83Å; V197-V199 HydrophobicContact CG1-CG2 4.4Å |
| 198 | S | 95.3 | Very high | 92.3 | Very high | 74 Ų | 74 | 54.1 Ų | 54.1 | 52% | 0.517 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 126.7 | 171.7 | -64.9 | 0 | 0 | 0 | 0 | 110 | N143 G175 | N143-S198 WeakPolarHBondContact OD1-CA 3.5Å; N143-S198 WeakPolarHBondContact OD1-CB 3.12Å; N143-S198 PolarHBondContact OD1-OG 3.13Å; G175-S198 WeakPolarHBondContact CA-O 3.29Å |
| 199 | V | 94.6 | Very high | 92.2 | Very high | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.03 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 132.6 | -176.5 | 169.8 | 0 | 0 | 0 | 0 | 108.2 | L141 I142 V167 I174 V197 I201 | L141-V199 WeakPolarHBondContact CA-O 3.36Å; I142-V199 HydrophobicContact CB-CB 4.12Å; I142-V199 HydrophobicContact CB-CG1 4.44Å; I142-V199 PolarHBondContact N-O 3.07Å; I142-V199 WeakPolarHBondContact O-CB 3.29Å; I142-V199 PolarHBondContact O-N 3.48Å; V167-V199 HydrophobicContact CB-CG2 3.86Å; V167-V199 HydrophobicContact CG1-CG2 3.87Å; V167-V199 HydrophobicContact CG2-CG2 4Å; I174-V199 HydrophobicContact CB-CG1 4.03Å; I174-V199 HydrophobicContact CD1-CG1 3.39Å; I174-V199 HydrophobicContact CG1-CG1 3.66Å; I174-V199 WeakPolarHBondContact O-CA 3.37Å; V197-V199 HydrophobicContact CG1-CG2 4.4Å; V199-I201 HydrophobicContact CG1-CG1 4.07Å |
| 200 | Q | 93.6 | Very high | 92 | Very high | 97 Ų | 97 | 51.8 Ų | 51.8 | 45% | 0.453 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 113.4 | 177.2 | -175.4 | 176.9 | 43.2 | 0 | 0 | 109.5 | I174 | I174-Q200 PolarHBondContact O-N 3.32Å |
| 201 | I | 92.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 113.4 | 177 | -53.9 | -177.9 | 0 | 0 | 0 | 107.9 | V140 I142 I174 V199 T205 V208 I222 | V140-I201 HydrophobicContact CB-CB 4.46Å; V140-I201 PolarHBondContact N-O 2.84Å; V140-I201 PolarHBondContact O-N 3.29Å; I142-I201 HydrophobicContact CD1-CD1 4.11Å; I174-I201 HydrophobicContact CB-CG1 4.49Å; I174-I201 HydrophobicContact CD1-CD1 4.09Å; I174-I201 HydrophobicContact CD1-CG1 3.97Å; V199-I201 HydrophobicContact CG1-CG1 4.07Å; I201-T205 WeakPolarHBondContact CG2-O 3.1Å; I201-T205 WeakPolarHBondContact CG2-OG1 3.26Å; I201-V208 HydrophobicContact CD1-CG1 3.94Å; I201-V208 HydrophobicContact CG2-CB 3.81Å; I201-V208 HydrophobicContact CG2-CG1 4.16Å; I201-V208 HydrophobicContact CG2-CG2 4.03Å; I201-I222 HydrophobicContact CD1-CD1 3.84Å |
| 202 | S | 88.4 | Confident | 91.8 | Very high | 43 Ų | 43 | 47.4 Ų | 47.4 | 30% | 0.301 | 28% | 0.279 | S | S | . | . | trans | -153.9 | 175.4 | -177.5 | 71.1 | 0 | 0 | 0 | 0 | 112.2 | S204 T205 | S202-S204 PolarHBondContact O-N 2.8Å; S202-T205 PolarHBondContact O-N 2.84Å; S202-T205 PolarHBondContact O-OG1 3.12Å | ||
| 203 | G | 87.1 | Confident | 91.6 | Very high | 56 Ų | 56 | 45.8 Ų | 45.8 | 58% | 0.577 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | 66.9 | -119.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T205 S206 | G203-T205 PolarHBondContact O-N 2.83Å; G203-S206 VanDerWaalsContact O-CB 3.23Å; G203-S206 WeakPolarHBondContact O-CB 3.26Å; G203-S206 PolarHBondContact O-N 2.81Å; G203-S206 VanDerWaalsContact O-N 3.1Å; G203-S206 PolarHBondContact O-OG 2.85Å |
| 204 | S | 84.9 | Confident | 91.5 | Very high | 102 Ų | 102 | 48.5 Ų | 48.5 | 71% | 0.713 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -63.2 | -21.3 | -178.4 | 54.9 | 0 | 0 | 0 | 0 | 113.8 | S202 | S202-S204 PolarHBondContact O-N 2.8Š|
| 205 | T | 86.8 | Confident | 91.1 | Very high | 10 Ų | 10 | 48.9 Ų | 48.9 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -105.3 | 18.1 | 177.1 | 57.6 | 0 | 0 | 0 | 0 | 112.9 | Y169 I201 S202 G203 Y207 V208 | Y169-T205 HydrophobicContact CD1-CG2 4.03Å; Y169-T205 HydrophobicContact CE1-CG2 4.31Å; I201-T205 WeakPolarHBondContact CG2-O 3.1Å; I201-T205 WeakPolarHBondContact CG2-OG1 3.26Å; S202-T205 PolarHBondContact O-N 2.84Å; S202-T205 PolarHBondContact O-OG1 3.12Å; G203-T205 PolarHBondContact O-N 2.83Å; T205-Y207 PolarHBondContact O-N 2.82Å; T205-V208 WeakPolarHBondContact O-CB 3.44Å; T205-V208 VanDerWaalsContact O-CG2 3.31Å; T205-V208 WeakPolarHBondContact O-CG2 3.29Å; T205-V208 PolarHBondContact O-N 2.95Å; T205-V208 VanDerWaalsContact O-N 3.12Å |
| 206 | S | 86.7 | Confident | 90.7 | Very high | 52 Ų | 52 | 53.3 Ų | 53.3 | 36% | 0.364 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -24.9 | 178.7 | 50.5 | 0 | 0 | 0 | 0 | 114 | G203 V208 Y209 | G203-S206 VanDerWaalsContact O-CB 3.23Å; G203-S206 WeakPolarHBondContact O-CB 3.26Å; G203-S206 PolarHBondContact O-N 2.81Å; G203-S206 VanDerWaalsContact O-N 3.1Å; G203-S206 PolarHBondContact O-OG 2.85Å; S206-V208 PolarHBondContact O-N 3.16Å; S206-V208 VanDerWaalsContact O-N 3.09Å; S206-Y209 VanDerWaalsContact O-CB 3.3Å; S206-Y209 WeakPolarHBondContact O-CB 3.31Å; S206-Y209 PolarHBondContact O-N 2.84Å |
| 207 | Y | 89.6 | Confident | 90.2 | Very high | 123 Ų | 123 | 53 Ų | 53 | 48% | 0.482 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.6 | -24.5 | 174.7 | 66.6 | -94.6 | 0 | 0 | 0 | 113.3 | Y169 T205 Y209 A210 F211 | Y169-Y207 WeakPolarHBondContact CE1-OH 3.33Å; T205-Y207 PolarHBondContact O-N 2.82Å; Y207-Y209 VanDerWaalsContact C-N 3.25Å; Y207-Y209 PolarHBondContact O-N 2.81Å; Y207-A210 PolarHBondContact O-N 3.04Å; Y207-F211 PolarHBondContact O-N 2.94Å |
| 208 | V | 91.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.006 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63 | -33.8 | 175.6 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | Y169 I201 T205 S206 A210 F211 C212 I222 | Y169-V208 HydrophobicContact CE1-CG2 3.78Å; I201-V208 HydrophobicContact CD1-CG1 3.94Å; I201-V208 HydrophobicContact CG2-CB 3.81Å; I201-V208 HydrophobicContact CG2-CG1 4.16Å; I201-V208 HydrophobicContact CG2-CG2 4.03Å; T205-V208 WeakPolarHBondContact O-CB 3.44Å; T205-V208 VanDerWaalsContact O-CG2 3.31Å; T205-V208 WeakPolarHBondContact O-CG2 3.29Å; T205-V208 PolarHBondContact O-N 2.95Å; T205-V208 VanDerWaalsContact O-N 3.12Å; S206-V208 PolarHBondContact O-N 3.16Å; S206-V208 VanDerWaalsContact O-N 3.09Å; V208-A210 VanDerWaalsContact C-N 3.34Å; V208-A210 PolarHBondContact O-N 2.86Å; V208-F211 WeakPolarHBondContact O-CB 3.46Å; V208-F211 PolarHBondContact O-N 2.71Å; V208-C212 VanDerWaalsContact CG1-SG 3.57Å; V208-C212 WeakPolarHBondContact O-CB 3.42Å; V208-C212 PolarHBondContact O-N 3.3Å; V208-C212 PolarHBondContact O-SG 3.32Å; V208-I222 HydrophobicContact CG1-CG2 4.27Å |
| 209 | Y | 92.3 | Very high | 89.2 | Confident | 36 Ų | 36 | 63.3 Ų | 63.3 | 14% | 0.141 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60 | -45.6 | 174.3 | 171.9 | -89.6 | 0 | 0 | 0 | 111.5 | F133 H135 T138 V140 S206 Y207 F211 C212 T213 | F133-Y209 HydrophobicContact CB-CE2 4.31Å; F133-Y209 HydrophobicContact CD1-CD2 4.32Å; F133-Y209 HydrophobicContact CD1-CE2 4.3Å; H135-Y209 WeakPolarHBondContact CA-OH 3.41Å; H135-Y209 AromaticContact ND1-CZ 3.89Å; H135-Y209 PolarHBondContact ND1-OH 2.96Å; T138-Y209 HydrophobicContact CG2-CD1 4.2Å; T138-Y209 HydrophobicContact CG2-CE1 4.05Å; T138-Y209 WeakPolarHBondContact O-CB 3.39Å; V140-Y209 HydrophobicContact CG2-CD2 4Å; V140-Y209 HydrophobicContact CG2-CG 4.41Å; S206-Y209 VanDerWaalsContact O-CB 3.3Å; S206-Y209 WeakPolarHBondContact O-CB 3.31Å; S206-Y209 PolarHBondContact O-N 2.84Å; Y207-Y209 VanDerWaalsContact C-N 3.25Å; Y207-Y209 PolarHBondContact O-N 2.81Å; Y209-F211 VanDerWaalsContact C-N 3.3Å; Y209-F211 PolarHBondContact O-N 2.94Å; Y209-C212 PolarHBondContact O-N 2.84Å; Y209-T213 HydrophobicContact CD2-CG2 4.32Å; Y209-T213 HydrophobicContact CE1-CG2 4.4Å; Y209-T213 HydrophobicContact CE2-CG2 3.97Å; Y209-T213 WeakPolarHBondContact O-CB 3.35Å; Y209-T213 WeakPolarHBondContact O-CG2 3.33Å; Y209-T213 PolarHBondContact O-N 3.38Å; Y209-T213 PolarHBondContact O-OG1 2.8Å |
| 210 | A | 91.3 | Very high | 88.9 | Confident | 53 Ų | 53 | 64 Ų | 64 | 44% | 0.438 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.9 | -38.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y207 V208 M214 | Y207-A210 PolarHBondContact O-N 3.04Å; V208-A210 VanDerWaalsContact C-N 3.34Å; V208-A210 PolarHBondContact O-N 2.86Å; A210-M214 WeakPolarHBondContact O-CB 3.31Å; A210-M214 PolarHBondContact O-N 2.79Å |
| 211 | F | 92.1 | Very high | 88.8 | Confident | 66 Ų | 66 | 63.3 Ų | 63.3 | 29% | 0.289 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.2 | -55.8 | 173.3 | 178.8 | -104.6 | 0 | 0 | 0 | 111.5 | Y207 V208 Y209 T213 M214 I217 H220 I222 | Y207-F211 PolarHBondContact O-N 2.94Å; V208-F211 WeakPolarHBondContact O-CB 3.46Å; V208-F211 PolarHBondContact O-N 2.71Å; Y209-F211 VanDerWaalsContact C-N 3.3Å; Y209-F211 PolarHBondContact O-N 2.94Å; F211-T213 VanDerWaalsContact C-N 3.25Å; F211-T213 PolarHBondContact O-N 2.82Å; F211-M214 WeakPolarHBondContact O-CB 3.33Å; F211-M214 PolarHBondContact O-N 3.29Å; F211-M214 VanDerWaalsContact O-N 3.14Å; F211-I217 HydrophobicContact CD2-CD1 3.96Å; F211-I217 HydrophobicContact CE2-CD1 3.81Å; F211-H220 HydrophobicContact CE1-CB 4.14Å; F211-H220 PolarHBondContact O-CD2 2.88Å; F211-H220 PolarHBondContact O-NE2 2.86Å; F211-I222 HydrophobicContact CD1-CG2 4.3Å; F211-I222 HydrophobicContact CE1-CG2 4.2Å |
| 212 | C | 91.2 | Very high | 88.8 | Confident | 3 Ų | 3 | 63.6 Ų | 63.6 | 2% | 0.02 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.5 | -25 | -175.4 | -59.2 | 0 | 0 | 0 | 0 | 114.2 | F133 V140 V208 Y209 C251 | F133-C212 HydrophobicContact CE1-CB 3.71Å; F133-C212 HydrophobicContact CZ-CB 4.18Å; V140-C212 HydrophobicContact CG2-CB 4.41Å; V208-C212 VanDerWaalsContact CG1-SG 3.57Å; V208-C212 WeakPolarHBondContact O-CB 3.42Å; V208-C212 PolarHBondContact O-N 3.3Å; V208-C212 PolarHBondContact O-SG 3.32Å; Y209-C212 PolarHBondContact O-N 2.84Å; C212-C251 VanDerWaalsContact CA-SG 3.58Å; C212-C251 HydrophobicContact CB-CB 3.88Å; C212-C251 WeakPolarHBondContact CB-SG 3.23Å; C212-C251 WeakPolarHBondContact SG-CB 3.31Å; C212-C251 CovalentContact SG-SG 2.02Å; C212-C251 PolarHBondContact SG-SG 3.32Å |
| 213 | T | 91.2 | Very high | 89 | Confident | 58 Ų | 58 | 64.7 Ų | 64.7 | 36% | 0.356 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -2.4 | 178.9 | 57 | 0 | 0 | 0 | 0 | 113.4 | F133 Y209 F211 A215 | F133-T213 HydrophobicContact CD1-CG2 3.78Å; F133-T213 HydrophobicContact CE1-CG2 3.82Å; F133-T213 HydrophobicContact CG-CG2 4.23Å; F133-T213 HydrophobicContact CZ-CG2 4.28Å; Y209-T213 HydrophobicContact CD2-CG2 4.32Å; Y209-T213 HydrophobicContact CE1-CG2 4.4Å; Y209-T213 HydrophobicContact CE2-CG2 3.97Å; Y209-T213 WeakPolarHBondContact O-CB 3.35Å; Y209-T213 WeakPolarHBondContact O-CG2 3.33Å; Y209-T213 PolarHBondContact O-N 3.38Å; Y209-T213 PolarHBondContact O-OG1 2.8Å; F211-T213 VanDerWaalsContact C-N 3.25Å; F211-T213 PolarHBondContact O-N 2.82Å; T213-A215 PolarHBondContact O-N 3.36Å |
| 214 | M | 90.8 | Very high | 89.4 | Confident | 74 Ų | 74 | 62 Ų | 62 | 37% | 0.365 | 35% | 0.352 | S | S | . | . | trans | -72.6 | 114 | -174 | -144.8 | -179.2 | -49.7 | 0 | 0 | 111.8 | A210 F211 S216 I217 H220 | A210-M214 WeakPolarHBondContact O-CB 3.31Å; A210-M214 PolarHBondContact O-N 2.79Å; F211-M214 WeakPolarHBondContact O-CB 3.33Å; F211-M214 PolarHBondContact O-N 3.29Å; F211-M214 VanDerWaalsContact O-N 3.14Å; M214-S216 VanDerWaalsContact C-N 3.27Å; M214-S216 WeakPolarHBondContact CG-OG 3.39Å; M214-S216 PolarHBondContact O-N 2.93Å; M214-S216 PolarHBondContact SD-OG 3.14Å; M214-I217 HydrophobicContact CE-CD1 4.1Å; M214-I217 PolarHBondContact O-N 3.23Å; M214-I217 VanDerWaalsContact O-O 3.09Å; M214-I217 HydrophobicContact SD-CD1 3.96Å; M214-I217 HydrophobicContact SD-CG1 4.28Å; M214-H220 PolarHBondContact O-NE2 3.39Å | ||
| 215 | A | 86.6 | Confident | 89.9 | Confident | 102 Ų | 102 | 58.7 Ų | 58.7 | 84% | 0.843 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -19.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | T213 I217 | T213-A215 PolarHBondContact O-N 3.36Å; A215-I217 VanDerWaalsContact C-N 3.26Å; A215-I217 PolarHBondContact O-N 3.45Å |
| 216 | S | 86.9 | Confident | 90.3 | Very high | 98 Ų | 98 | 58.3 Ų | 58.3 | 69% | 0.685 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -23.8 | 177.5 | 55.5 | 0 | 0 | 0 | 0 | 112.7 | M214 | M214-S216 VanDerWaalsContact C-N 3.27Å; M214-S216 WeakPolarHBondContact CG-OG 3.39Å; M214-S216 PolarHBondContact O-N 2.93Å; M214-S216 PolarHBondContact SD-OG 3.14Å |
| 217 | I | 84.3 | Confident | 90.7 | Very high | 59 Ų | 59 | 59.4 Ų | 59.4 | 30% | 0.303 | 32% | 0.323 | S | S | . | . | trans | -103.8 | 126.1 | 179.5 | -58.7 | 176.8 | 0 | 0 | 0 | 107.5 | F211 M214 A215 V219 H220 | F211-I217 HydrophobicContact CD2-CD1 3.96Å; F211-I217 HydrophobicContact CE2-CD1 3.81Å; M214-I217 HydrophobicContact CE-CD1 4.1Å; M214-I217 PolarHBondContact O-N 3.23Å; M214-I217 VanDerWaalsContact O-O 3.09Å; M214-I217 HydrophobicContact SD-CD1 3.96Å; M214-I217 HydrophobicContact SD-CG1 4.28Å; A215-I217 VanDerWaalsContact C-N 3.26Å; A215-I217 PolarHBondContact O-N 3.45Å; I217-V219 WeakPolarHBondContact CG2-O 3.32Å; I217-H220 PolarHBondContact O-CE1 3.19Å; I217-H220 PolarHBondContact O-NE2 3.08Å | ||
| 218 | K | 82.9 | Confident | 91 | Very high | 203 Ų | 203 | 54 Ų | 54 | 88% | 0.883 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -85.7 | -14.6 | 179 | -67.3 | -173.9 | 179 | -178.7 | 0 | 113.9 | ||
| 219 | V | 86.7 | Confident | 91.2 | Very high | 87 Ų | 87 | 54.8 Ų | 54.8 | 53% | 0.527 | 31% | 0.308 | S | S | . | . | trans | -130.5 | 116.7 | -173.4 | -177.2 | 0 | 0 | 0 | 0 | 109.5 | I217 N221 | I217-V219 WeakPolarHBondContact CG2-O 3.32Å; V219-N221 HydrophobicContact CG1-CB 4.4Å; V219-N221 VanDerWaalsContact CG1-ND2 3.28Å; V219-N221 WeakPolarHBondContact CG1-ND2 2.99Å | ||
| 220 | H | 89.8 | Confident | 91.4 | Very high | 20 Ų | 20 | 53.1 Ų | 53.1 | 9% | 0.093 | 30% | 0.302 | C | S | . | . | trans | -113.7 | 53.9 | -173.6 | -55 | 99.5 | 0 | 0 | 0 | 111.6 | F211 M214 I217 C251 | F211-H220 HydrophobicContact CE1-CB 4.14Å; F211-H220 PolarHBondContact O-CD2 2.88Å; F211-H220 PolarHBondContact O-NE2 2.86Å; M214-H220 PolarHBondContact O-NE2 3.39Å; I217-H220 PolarHBondContact O-CE1 3.19Å; I217-H220 PolarHBondContact O-NE2 3.08Å; H220-C251 PolarHBondContact O-N 2.02Å; H220-C251 PolarHBondContact O-SG 2.83Å | ||
| 221 | N | 90.9 | Very high | 91.6 | Very high | 83 Ų | 83 | 54.5 Ų | 54.5 | 44% | 0.444 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 122.1 | -177.8 | -69.3 | -25.6 | 0 | 0 | 0 | 111.9 | V219 I249 D250 | V219-N221 HydrophobicContact CG1-CB 4.4Å; V219-N221 VanDerWaalsContact CG1-ND2 3.28Å; V219-N221 WeakPolarHBondContact CG1-ND2 2.99Å; N221-I249 CarbonylContact C-O 3.53Å; N221-I249 VanDerWaalsContact CA-O 3.29Å; N221-I249 WeakPolarHBondContact CA-O 3.44Å; N221-D250 WeakPolarHBondContact OD1-CA 3.44Å |
| 222 | I | 92.3 | Very high | 91.7 | Very high | 6 Ų | 6 | 51.4 Ų | 51.4 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 142.3 | 170.3 | 62.6 | 171.5 | 0 | 0 | 0 | 110.1 | I142 Y169 I201 V208 F211 V224 Y248 I249 C251 | I142-I222 HydrophobicContact CD1-CD1 3.89Å; Y169-I222 HydrophobicContact CE2-CB 4.12Å; Y169-I222 HydrophobicContact CE2-CG2 4.45Å; I201-I222 HydrophobicContact CD1-CD1 3.84Å; V208-I222 HydrophobicContact CG1-CG2 4.27Å; F211-I222 HydrophobicContact CD1-CG2 4.3Å; F211-I222 HydrophobicContact CE1-CG2 4.2Å; I222-V224 HydrophobicContact CD1-CG1 4.31Å; I222-V224 HydrophobicContact CG1-CG1 4.5Å; I222-Y248 CarbonylContact O-C 3.45Å; I222-Y248 WeakPolarHBondContact O-CA 3.41Å; I222-I249 HydrophobicContact CG1-CB 3.99Å; I222-I249 PolarHBondContact N-O 3.46Å; I222-I249 PolarHBondContact O-N 2.84Å; I222-C251 HydrophobicContact CD1-CB 4.34Å; I222-C251 HydrophobicContact CG1-CB 4.5Å |
| 223 | L | 93.1 | Very high | 91.8 | Very high | 66 Ų | 66 | 52.7 Ų | 52.7 | 35% | 0.346 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 123.4 | 173 | 178.3 | 64.6 | 0 | 0 | 0 | 109.4 | Y169 Y248 | Y169-L223 WeakPolarHBondContact CD2-O 3.4Å; L223-Y248 HydrophobicContact CB-CD1 4.16Å; L223-Y248 HydrophobicContact CB-CE1 3.94Å; L223-Y248 HydrophobicContact CD1-CD1 4.19Å; L223-Y248 HydrophobicContact CD1-CD2 4.34Å; L223-Y248 HydrophobicContact CD1-CE1 3.98Å; L223-Y248 HydrophobicContact CD1-CE2 4.13Å; L223-Y248 HydrophobicContact CD1-CG 4.38Å; L223-Y248 HydrophobicContact CG-CE1 4.39Å |
| 224 | V | 94.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 153.4 | 170.4 | -55.4 | 0 | 0 | 0 | 0 | 110.7 | M144 V167 L168 I174 I222 M226 R247 I249 | M144-V224 HydrophobicContact CE-CG2 4.37Å; V167-V224 HydrophobicContact CG1-CB 3.82Å; V167-V224 HydrophobicContact CG1-CG1 4.22Å; V167-V224 HydrophobicContact CG1-CG2 4.03Å; L168-V224 CarbonylContact O-C 3.52Å; L168-V224 WeakPolarHBondContact O-CA 3.48Å; I174-V224 HydrophobicContact CD1-CG1 4.24Å; I222-V224 HydrophobicContact CD1-CG1 4.31Å; I222-V224 HydrophobicContact CG1-CG1 4.5Å; V224-M226 HydrophobicContact CG2-CG 4.46Å; V224-R247 HydrophobicContact CG2-CB 4.02Å; V224-R247 PolarHBondContact N-O 3.35Å; V224-R247 PolarHBondContact O-N 3.04Å; V224-I249 HydrophobicContact CB-CD1 4.3Å; V224-I249 HydrophobicContact CG1-CD1 3.72Å; V224-I249 HydrophobicContact CG2-CD1 3.56Å; V224-I249 HydrophobicContact CG2-CG1 4.11Å |
| 225 | I | 95.6 | Very high | 91.5 | Very high | 31 Ų | 31 | 54.9 Ų | 54.9 | 16% | 0.159 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 119.9 | 174 | -53 | 173.4 | 0 | 0 | 0 | 106.9 | V167 L168 Q227 E244 Y246 | V167-I225 CarbonylContact C-O 3.6Å; V167-I225 WeakPolarHBondContact CA-O 3.44Å; L168-I225 HydrophobicContact CB-CB 4.31Å; L168-I225 PolarHBondContact N-O 3.47Å; L168-I225 PolarHBondContact O-N 2.97Å; I225-Q227 HydrophobicContact CG2-CG 4.3Å; I225-E244 HydrophobicContact CG2-CG 3.61Å; I225-E244 WeakPolarHBondContact CG2-OE1 3.47Å; I225-Y246 HydrophobicContact CD1-CD1 4.5Å; I225-Y246 HydrophobicContact CD1-CE1 3.87Å; I225-Y246 HydrophobicContact CG1-CD1 3.94Å; I225-Y246 HydrophobicContact CG1-CE1 3.79Å; I225-Y246 HydrophobicContact CG2-CE1 4.5Å |
| 226 | M | 95.1 | Very high | 91.3 | Very high | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.015 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 117.3 | 174.2 | -59.8 | -174 | 74 | 0 | 0 | 108.8 | M144 V167 F195 V224 E244 A245 R247 | M144-M226 HydrophobicContact SD-CE 3.67Å; M144-M226 HydrophobicContact SD-SD 3.36Å; V167-M226 HydrophobicContact CG2-CE 4.42Å; V167-M226 HydrophobicContact CG2-CG 4.34Å; F195-M226 HydrophobicContact CE2-CE 4.36Å; F195-M226 HydrophobicContact CZ-CE 4.5Å; V224-M226 HydrophobicContact CG2-CG 4.46Å; M226-E244 CarbonylContact O-C 3.59Å; M226-E244 WeakPolarHBondContact O-CA 3.44Å; M226-A245 PolarHBondContact N-O 3.34Å; M226-A245 PolarHBondContact O-N 3.22Å; M226-R247 HydrophobicContact CG-CG 4.3Å; M226-R247 HydrophobicContact SD-CG 3.91Å |
| 227 | Q | 96.4 | Very high | 91.3 | Very high | 74 Ų | 74 | 62.6 Ų | 62.6 | 35% | 0.346 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 107.4 | 173.1 | -71.1 | -176.5 | -16 | 0 | 0 | 108.6 | C165 Q166 L168 I225 L243 E244 | C165-Q227 CarbonylContact C-O 3.54Å; C165-Q227 WeakPolarHBondContact CA-O 3.45Å; Q166-Q227 PolarHBondContact N-O 3.24Å; Q166-Q227 PolarHBondContact O-N 3.33Å; L168-Q227 HydrophobicContact CD1-CB 4.21Å; L168-Q227 HydrophobicContact CD1-CG 3.93Å; I225-Q227 HydrophobicContact CG2-CG 4.3Å; Q227-L243 WeakPolarHBondContact CA-O 3.35Å; Q227-E244 HydrophobicContact CG-CG 4.16Å |
| 228 | T | 96 | Very high | 91.6 | Very high | 9 Ų | 9 | 64.3 Ų | 64.3 | 6% | 0.055 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 123.2 | -176.1 | -57.5 | 0 | 0 | 0 | 0 | 109.2 | L148 S164 C165 V230 T242 L243 | L148-T228 HydrophobicContact CD1-CG2 3.82Å; L148-T228 HydrophobicContact CD2-CG2 4.46Å; S164-T228 CarbonylContact O-C 3.54Å; S164-T228 WeakPolarHBondContact O-CA 3.03Å; C165-T228 PolarHBondContact SG-OG1 2.94Å; C165-T228 VanDerWaalsContact SG-OG1 3.32Å; T228-V230 HydrophobicContact CG2-CG2 4.39Å; T228-T242 CarbonylContact O-C 3.52Å; T228-T242 WeakPolarHBondContact O-CA 3.34Å; T228-L243 PolarHBondContact N-O 3.39Å; T228-L243 PolarHBondContact O-N 3.22Å |
| 229 | S | 95.9 | Very high | 92 | Very high | 19 Ų | 19 | 56.1 Ų | 56.1 | 13% | 0.133 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 120.8 | 176.1 | 175.3 | 0 | 0 | 0 | 0 | 109.6 | S164 Q240 N241 | S164-S229 PolarHBondContact N-O 2.77Å; S164-S229 PolarHBondContact O-N 2.83Å; S164-S229 WeakPolarHBondContact OG-CB 3.1Å; S164-S229 PolarHBondContact OG-O 3.43Å; S164-S229 VanDerWaalsContact OG-O 3.12Å; S229-Q240 PolarHBondContact OG-NE2 2.86Å; S229-N241 WeakPolarHBondContact CA-O 3.2Å |
| 230 | V | 96 | Very high | 92.3 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 126.4 | 176.2 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | V121 L148 F150 V160 S162 T228 T232 Q240 N241 | V121-V230 HydrophobicContact CG1-CG2 4.11Å; L148-V230 HydrophobicContact CD1-CG2 3.79Å; F150-V230 HydrophobicContact CE1-CB 4.44Å; F150-V230 HydrophobicContact CE1-CG1 3.73Å; F150-V230 HydrophobicContact CE1-CG2 4.11Å; F150-V230 HydrophobicContact CZ-CG1 4.17Å; F150-V230 HydrophobicContact CZ-CG2 4.18Å; V160-V230 HydrophobicContact CG1-CG1 3.74Å; S162-V230 WeakPolarHBondContact O-CA 3.44Å; T228-V230 HydrophobicContact CG2-CG2 4.39Å; V230-T232 HydrophobicContact CG1-CG2 4Å; V230-Q240 CarbonylContact O-C 3.6Å; V230-Q240 WeakPolarHBondContact O-CA 3.3Å; V230-N241 PolarHBondContact N-O 3.14Å; V230-N241 PolarHBondContact O-N 3.1Å |
| 231 | K | 95.6 | Very high | 92.5 | Very high | 82 Ų | 82 | 59.6 Ų | 59.6 | 36% | 0.357 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 126.8 | 169.4 | -170.7 | 178.4 | 176.5 | -179.3 | 0 | 109.4 | V160 D161 S162 A239 | V160-K231 CarbonylContact C-O 3.55Å; D161-K231 HydrophobicContact CB-CB 4.49Å; D161-K231 HydrophobicContact CB-CD 4.47Å; D161-K231 HydrophobicContact CB-CG 4.37Å; D161-K231 PolarHBondContact N-O 3.27Å; S162-K231 PolarHBondContact N-O 3.04Å; S162-K231 PolarHBondContact O-N 3.3Å; S162-K231 WeakPolarHBondContact OG-CB 3.38Å; K231-A239 WeakPolarHBondContact CA-O 3.37Å |
| 232 | T | 94.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 138.6 | 176.2 | 57.4 | 0 | 0 | 0 | 0 | 110.1 | V158 M159 V160 V230 T238 A239 | V158-T232 HydrophobicContact CG1-CG2 4.35Å; M159-T232 CarbonylContact O-C 3.54Å; M159-T232 WeakPolarHBondContact O-CA 3.48Å; V160-T232 HydrophobicContact CG2-CG2 4.24Å; V230-T232 HydrophobicContact CG1-CG2 4Å; T232-T238 CarbonylContact O-C 3.58Å; T232-T238 WeakPolarHBondContact O-CA 3.44Å; T232-A239 PolarHBondContact N-O 3.19Å; T232-A239 PolarHBondContact O-N 3.05Å; T232-A239 PolarHBondContact OG1-O 2.96Å |
| 233 | S | 93.4 | Very high | 92.8 | Very high | 30 Ų | 30 | 62.6 Ų | 62.6 | 21% | 0.21 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 145.3 | 169.6 | 63.4 | 0 | 0 | 0 | 0 | 111.1 | M159 D161 R237 | M159-S233 PolarHBondContact N-O 3.09Å; M159-S233 PolarHBondContact O-N 2.85Å; D161-S233 VanDerWaalsContact CG-OG 3.32Å; D161-S233 WeakPolarHBondContact OD1-CB 3.39Å; D161-S233 PolarHBondContact OD1-OG 2.84Å; D161-S233 WeakPolarHBondContact OD2-CB 3.43Å; D161-S233 PolarHBondContact OD2-N 3.28Å; D161-S233 PolarHBondContact OD2-OG 2.81Å; S233-R237 WeakPolarHBondContact CA-O 3.44Å |
| 234 | Y | 90.1 | Very high | 92.9 | Very high | 36 Ų | 36 | 64.2 Ų | 64.2 | 14% | 0.141 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 135.9 | 170.1 | 50.8 | -90.8 | 0 | 0 | 0 | 109 | P116 F156 V158 M236 R237 A239 | P116-Y234 HydrophobicContact CB-CD2 4.22Å; P116-Y234 HydrophobicContact CB-CE2 3.4Å; P116-Y234 VanDerWaalsContact CB-CE2 3.4Å; P116-Y234 HydrophobicContact CG-CE2 4.14Å; F156-Y234 AromaticContact CE2-CD2 3.81Å; F156-Y234 HydrophobicContact CE2-CD2 3.81Å; F156-Y234 AromaticContact CE2-CG 3.89Å; F156-Y234 HydrophobicContact CE2-CG 3.89Å; F156-Y234 HydrophobicContact CZ-CD2 4.1Å; V158-Y234 HydrophobicContact CG1-CD1 4.14Å; V158-Y234 HydrophobicContact CG2-CD1 4.46Å; Y234-M236 PolarHBondContact O-N 3.12Å; Y234-R237 HydrophobicContact CD2-CB 4.41Å; Y234-R237 HydrophobicContact CE2-CB 3.9Å; Y234-R237 PolarHBondContact N-O 3.39Å; Y234-R237 PolarHBondContact O-N 3.2Å; Y234-R237 VanDerWaalsContact O-O 3.09Å; Y234-A239 HydrophobicContact CE1-CB 4.06Å |
| 235 | M | 84.1 | Confident | 92.8 | Very high | 142 Ų | 142 | 64.9 Ų | 64.9 | 70% | 0.7 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | -107 | -175 | -51.3 | 179.2 | 107.8 | 0 | 0 | 111.3 | L114 | L114-M235 HydrophobicContact CD2-CE 3.94Š|
| 236 | M | 82.9 | Confident | 92.7 | Very high | 191 Ų | 191 | 70.2 Ų | 70.2 | 94% | 0.941 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.5 | 7.3 | 178.6 | -160.8 | -178.7 | 179.5 | 0 | 0 | 112.7 | Y234 | Y234-M236 PolarHBondContact O-N 3.12Š|
| 237 | R | 86.9 | Confident | 92.6 | Very high | 172 Ų | 172 | 73 Ų | 73 | 65% | 0.649 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 146.4 | -179.7 | -69 | -174.3 | -176.8 | -129.6 | 1.4 | 110.2 | S233 Y234 | S233-R237 WeakPolarHBondContact CA-O 3.44Å; Y234-R237 HydrophobicContact CD2-CB 4.41Å; Y234-R237 HydrophobicContact CE2-CB 3.9Å; Y234-R237 PolarHBondContact N-O 3.39Å; Y234-R237 PolarHBondContact O-N 3.2Å; Y234-R237 VanDerWaalsContact O-O 3.09Å |
| 238 | T | 91.3 | Very high | 92.4 | Very high | 94 Ų | 94 | 77.3 Ų | 77.3 | 58% | 0.577 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 141.6 | 167.9 | 55 | 0 | 0 | 0 | 0 | 108.1 | T232 | T232-T238 CarbonylContact O-C 3.58Å; T232-T238 WeakPolarHBondContact O-CA 3.44Å |
| 239 | A | 91.3 | Very high | 92.1 | Very high | 31 Ų | 31 | 77 Ų | 77 | 26% | 0.256 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 147.8 | 174 | 0 | 0 | 0 | 0 | 0 | 108.3 | K231 T232 Y234 | K231-A239 WeakPolarHBondContact CA-O 3.37Å; T232-A239 PolarHBondContact N-O 3.19Å; T232-A239 PolarHBondContact O-N 3.05Å; T232-A239 PolarHBondContact OG1-O 2.96Å; Y234-A239 HydrophobicContact CE1-CB 4.06Å |
| 240 | Q | 93.4 | Very high | 91.9 | Very high | 124 Ų | 124 | 78 Ų | 78 | 58% | 0.579 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 128.2 | 178.7 | -175.8 | 174.8 | -18.6 | 0 | 0 | 109.2 | S229 V230 | S229-Q240 PolarHBondContact OG-NE2 2.86Å; V230-Q240 CarbonylContact O-C 3.6Å; V230-Q240 WeakPolarHBondContact O-CA 3.3Å |
| 241 | N | 92.7 | Very high | 91.6 | Very high | 56 Ų | 56 | 78 Ų | 78 | 30% | 0.299 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 127.9 | 177.2 | -71.8 | -39 | 0 | 0 | 0 | 108.9 | V119 V121 S229 V230 | V119-N241 PolarHBondContact O-ND2 3.02Å; V121-N241 HydrophobicContact CG2-CB 4.28Å; S229-N241 WeakPolarHBondContact CA-O 3.2Å; V230-N241 PolarHBondContact N-O 3.14Å; V230-N241 PolarHBondContact O-N 3.1Å |
| 242 | T | 94.4 | Very high | 91.3 | Very high | 108 Ų | 108 | 75.4 Ų | 75.4 | 66% | 0.663 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 127.2 | 177.4 | 54.6 | 0 | 0 | 0 | 0 | 109.9 | T228 | T228-T242 CarbonylContact O-C 3.52Å; T228-T242 WeakPolarHBondContact O-CA 3.34Å |
| 243 | L | 94.7 | Very high | 90.5 | Very high | 45 Ų | 45 | 77.2 Ų | 77.2 | 24% | 0.236 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 144.1 | 176.7 | -60.3 | 106.8 | 0 | 0 | 0 | 109.8 | V121 Q227 T228 | V121-L243 HydrophobicContact CB-CD1 4.07Å; V121-L243 HydrophobicContact CG1-CD1 3.6Å; V121-L243 WeakPolarHBondContact O-CD2 3.38Å; Q227-L243 WeakPolarHBondContact CA-O 3.35Å; T228-L243 PolarHBondContact N-O 3.39Å; T228-L243 PolarHBondContact O-N 3.22Å |
| 244 | E | 95.1 | Very high | 89.5 | Confident | 100 Ų | 100 | 81.1 Ų | 81.1 | 47% | 0.467 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 126.4 | 174 | -171.1 | 177 | 158.4 | 0 | 0 | 109.3 | I225 M226 Q227 Y246 | I225-E244 HydrophobicContact CG2-CG 3.61Å; I225-E244 WeakPolarHBondContact CG2-OE1 3.47Å; M226-E244 CarbonylContact O-C 3.59Å; M226-E244 WeakPolarHBondContact O-CA 3.44Å; Q227-E244 HydrophobicContact CG-CG 4.16Å; E244-Y246 HydrophobicContact CG-CE2 4.28Å; E244-Y246 PolarHBondContact OE1-OH 2.73Å |
| 245 | A | 93.4 | Very high | 88.5 | Confident | 15 Ų | 15 | 83.5 Ų | 83.5 | 12% | 0.124 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 135.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D123 M226 | D123-A245 WeakPolarHBondContact OD2-CB 3.45Å; M226-A245 PolarHBondContact N-O 3.34Å; M226-A245 PolarHBondContact O-N 3.22Å |
| 246 | Y | 94.2 | Very high | 87.7 | Confident | 143 Ų | 143 | 78.5 Ų | 78.5 | 56% | 0.561 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 121.4 | 177.6 | -66.8 | -95.1 | 0 | 0 | 0 | 109 | I225 E244 | I225-Y246 HydrophobicContact CD1-CD1 4.5Å; I225-Y246 HydrophobicContact CD1-CE1 3.87Å; I225-Y246 HydrophobicContact CG1-CD1 3.94Å; I225-Y246 HydrophobicContact CG1-CE1 3.79Å; I225-Y246 HydrophobicContact CG2-CE1 4.5Å; E244-Y246 HydrophobicContact CG-CE2 4.28Å; E244-Y246 PolarHBondContact OE1-OH 2.73Å |
| 247 | R | 91.8 | Very high | 86.7 | Confident | 60 Ų | 60 | 74.5 Ų | 74.5 | 23% | 0.226 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 128.5 | -173.2 | -61 | -64.3 | -177.4 | 172.3 | -8.8 | 111.3 | D123 I126 V224 M226 | D123-R247 IonicContact OD1-NH2 3.6Å; D123-R247 PolarHBondContact OD1-NH2 2.96Å; D123-R247 IonicContact OD2-CZ 2.68Å; D123-R247 IonicContact OD2-NE 3.49Å; D123-R247 IonicContact OD2-NH2 3.7Å; D123-R247 PolarHBondContact OD2-NH2 2.95Å; I126-R247 HydrophobicContact CD1-CB 3.68Å; I126-R247 HydrophobicContact CD1-CG 3.72Å; I126-R247 HydrophobicContact CG1-CG 4.29Å; V224-R247 HydrophobicContact CG2-CB 4.02Å; V224-R247 PolarHBondContact N-O 3.35Å; V224-R247 PolarHBondContact O-N 3.04Å; M226-R247 HydrophobicContact CG-CG 4.3Å; M226-R247 HydrophobicContact SD-CG 3.91Å |
| 248 | Y | 91.7 | Very high | 85.4 | Confident | 165 Ų | 165 | 71.3 Ų | 71.3 | 65% | 0.647 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 129.1 | 168.5 | -68.4 | -81.3 | 0 | 0 | 0 | 109.4 | I222 L223 | I222-Y248 CarbonylContact O-C 3.45Å; I222-Y248 WeakPolarHBondContact O-CA 3.41Å; L223-Y248 HydrophobicContact CB-CD1 4.16Å; L223-Y248 HydrophobicContact CB-CE1 3.94Å; L223-Y248 HydrophobicContact CD1-CD1 4.19Å; L223-Y248 HydrophobicContact CD1-CD2 4.34Å; L223-Y248 HydrophobicContact CD1-CE1 3.98Å; L223-Y248 HydrophobicContact CD1-CE2 4.13Å; L223-Y248 HydrophobicContact CD1-CG 4.38Å; L223-Y248 HydrophobicContact CG-CE1 4.39Å |
| 249 | I | 91.1 | Very high | 83.5 | Confident | 2 Ų | 2 | 74.6 Ų | 74.6 | 1% | 0.01 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 128.3 | 178.6 | -54.5 | 170.5 | 0 | 0 | 0 | 108.2 | V129 I142 M144 N221 I222 V224 C251 | V129-I249 HydrophobicContact CB-CG2 4.45Å; V129-I249 HydrophobicContact CG1-CG2 3.72Å; V129-I249 HydrophobicContact CG2-CG2 4.35Å; I142-I249 HydrophobicContact CG2-CG2 4.44Å; M144-I249 HydrophobicContact CE-CD1 3.12Å; M144-I249 HydrophobicContact CE-CG1 3.4Å; N221-I249 CarbonylContact C-O 3.53Å; N221-I249 VanDerWaalsContact CA-O 3.29Å; N221-I249 WeakPolarHBondContact CA-O 3.44Å; I222-I249 HydrophobicContact CG1-CB 3.99Å; I222-I249 PolarHBondContact N-O 3.46Å; I222-I249 PolarHBondContact O-N 2.84Å; V224-I249 HydrophobicContact CB-CD1 4.3Å; V224-I249 HydrophobicContact CG1-CD1 3.72Å; V224-I249 HydrophobicContact CG2-CD1 3.56Å; V224-I249 HydrophobicContact CG2-CG1 4.11Å; I249-C251 PolarHBondContact O-N 2.83Å |
| 250 | D | 91.1 | Very high | 81.6 | Confident | 41 Ų | 41 | 77.1 Ų | 77.1 | 22% | 0.219 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 113.1 | 164.8 | 179.5 | 15.6 | 0 | 0 | 0 | 109.2 | N221 G252 S253 T256 | N221-D250 WeakPolarHBondContact OD1-CA 3.44Å; D250-G252 PolarHBondContact OD1-N 2.91Å; D250-S253 PolarHBondContact OD2-OG 2.73Å; D250-T256 HydrophobicContact CB-CG2 4.01Å |
| 251 | C | 90.9 | Very high | 79.3 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 41% | 0.411 | C | S | . | . | trans | -91.7 | -1.2 | 178.2 | 68.2 | 0 | 0 | 0 | 0 | 113.5 | V131 F133 I142 C212 H220 I222 I249 | V131-C251 WeakPolarHBondContact CG1-O 3.49Å; F133-C251 WeakPolarHBondContact CZ-O 3.34Å; I142-C251 HydrophobicContact CD1-CB 4.4Å; C212-C251 VanDerWaalsContact CA-SG 3.58Å; C212-C251 HydrophobicContact CB-CB 3.88Å; C212-C251 WeakPolarHBondContact CB-SG 3.23Å; C212-C251 WeakPolarHBondContact SG-CB 3.31Å; C212-C251 CovalentContact SG-SG 2.02Å; C212-C251 PolarHBondContact SG-SG 3.32Å; H220-C251 PolarHBondContact O-N 2.02Å; H220-C251 PolarHBondContact O-SG 2.83Å; I222-C251 HydrophobicContact CD1-CB 4.34Å; I222-C251 HydrophobicContact CG1-CB 4.5Å; I249-C251 PolarHBondContact O-N 2.83Å | ||
| 252 | G | 87.4 | Confident | 76.7 | Confident | 28 Ų | 28 | 85.4 Ų | 85.4 | 29% | 0.289 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -90.4 | -19.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | D250 | D250-G252 PolarHBondContact OD1-N 2.91Š|
| 253 | S | 78.6 | Confident | 74.5 | Confident | 38 Ų | 38 | 89.3 Ų | 89.3 | 27% | 0.266 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -111.1 | 142.2 | -175.9 | 61.4 | 0 | 0 | 0 | 0 | 112.6 | V131 D250 S255 T256 | V131-S253 WeakPolarHBondContact CG2-O 3.31Å; D250-S253 PolarHBondContact OD2-OG 2.73Å; S253-S255 VanDerWaalsContact C-N 3.31Å; S253-S255 PolarHBondContact O-N 2.78Å; S253-T256 WeakPolarHBondContact OG-CG2 3.44Å |
| 254 | N | 72.4 | Confident | 71.9 | Confident | 113 Ų | 113 | 95 Ų | 95 | 60% | 0.604 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -63 | -32 | -173.1 | -90.9 | -21.9 | 0 | 0 | 0 | 113.9 | T130 V131 | T130-N254 WeakPolarHBondContact CA-O 3.15Å; V131-N254 PolarHBondContact N-O 3.43Å; V131-N254 PolarHBondContact O-OD1 2.91Å |
| 255 | S | 69.1 | Low | 69.7 | Low | 85 Ų | 85 | 100.1 Ų | 100.1 | 59% | 0.594 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 125.8 | 175.6 | 58.4 | 0 | 0 | 0 | 0 | 112.1 | V129 S253 | V129-S255 VanDerWaalsContact O-CA 3.29Å; V129-S255 WeakPolarHBondContact O-CA 3.21Å; S253-S255 VanDerWaalsContact C-N 3.31Å; S253-S255 PolarHBondContact O-N 2.78Å |
| 256 | T | 67.1 | Low | 67 | Low | 37 Ų | 37 | 111.9 Ų | 111.9 | 23% | 0.227 | 54% | 0.539 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 106 | 166.6 | 62.4 | 0 | 0 | 0 | 0 | 108.4 | V129 D250 S253 H258 | V129-T256 WeakPolarHBondContact CB-OG1 3.5Å; V129-T256 PolarHBondContact N-O 3.44Å; V129-T256 PolarHBondContact O-N 2.79Å; D250-T256 HydrophobicContact CB-CG2 4.01Å; S253-T256 WeakPolarHBondContact OG-CG2 3.44Å; T256-H258 PolarHBondContact O-N 3.05Å |
| 257 | V | 61.9 | Low | 65.7 | Low | 107 Ų | 107 | 110.3 Ų | 110.3 | 65% | 0.648 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 107.3 | 165.1 | 179.4 | 0 | 0 | 0 | 0 | 106.3 | Q259 | V257-Q259 PolarHBondContact O-N 2.96Å; V257-Q259 VanDerWaalsContact O-N 3.09Å |
| 258 | H | 59.1 | Low | 64.3 | Low | 105 Ų | 105 | 112.9 Ų | 112.9 | 49% | 0.486 | 56% | 0.555 | S | S | . | * | trans | -73.5 | 106.8 | 174.9 | -149.8 | -53.1 | 0 | 0 | 0 | 107.1 | I126 T256 P260 | I126-H258 WeakPolarHBondContact O-CB 3.4Å; T256-H258 PolarHBondContact O-N 3.05Å; H258-P260 WeakPolarHBondContact O-CD 3.44Å | ||
| 259 | Q | 51.5 | Low | 62.8 | Low | 163 Ų | 163 | 110.1 Ų | 110.1 | 76% | 0.762 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 123.6 | 168.9 | -76.1 | -179.3 | -16 | 0 | 0 | 107.4 | V257 | V257-Q259 PolarHBondContact O-N 2.96Å; V257-Q259 VanDerWaalsContact O-N 3.09Å |
| 260 | P | 52.1 | Low | 61.1 | Low | 85 Ų | 85 | 116.4 Ų | 116.4 | 55% | 0.552 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 144.6 | 170.1 | 24.5 | -30.5 | 0 | 0 | 0 | 108.4 | H258 R262 | H258-P260 WeakPolarHBondContact O-CD 3.44Å; P260-R262 PolarHBondContact O-N 2.8Å; P260-R262 VanDerWaalsContact O-N 3.11Å |
| 261 | P | 44.3 | Very low | 59.2 | Low | 116 Ų | 116 | 121.1 Ų | 121.1 | 75% | 0.753 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 123.4 | 173.9 | 22.4 | -30.1 | 0 | 0 | 0 | 108.2 | R263 | P261-R263 PolarHBondContact O-N 3.37Š|
| 262 | R | 39.6 | Very low | 57.1 | Low | 237 Ų | 237 | 129.2 Ų | 129.2 | 89% | 0.894 | 64% | 0.644 | S | S | * | * | trans | -53.7 | 112.4 | 171.2 | -87 | -177.2 | 171.3 | -176.4 | -2.5 | 106.9 | P260 L264 | P260-R262 PolarHBondContact O-N 2.8Å; P260-R262 VanDerWaalsContact O-N 3.11Å; R262-L264 VanDerWaalsContact C-N 3.26Å; R262-L264 PolarHBondContact O-N 3Å | ||
| 263 | R | 47 | Very low | 55 | Low | 191 Ų | 191 | 136.4 Ų | 136.4 | 72% | 0.721 | 67% | 0.67 | S | S | * | * | trans | -61.2 | 96.4 | 166.1 | -71.1 | -167.6 | -175.2 | -161.1 | 4.9 | 106.8 | P261 W265 | P261-R263 PolarHBondContact O-N 3.37Å; R263-W265 PolarHBondContact O-N 2.76Å | ||
| 264 | L | 40.3 | Very low | 53.1 | Low | 164 Ų | 164 | 144 Ų | 144 | 86% | 0.859 | 70% | 0.701 | S | S | * | * | trans | -66.5 | 90.9 | 162.5 | -94.2 | 146.5 | 0 | 0 | 0 | 106 | R262 Q266 | R262-L264 VanDerWaalsContact C-N 3.26Å; R262-L264 PolarHBondContact O-N 3Å; L264-Q266 PolarHBondContact O-N 3.1Å | ||
| 265 | W | 49.8 | Very low | 51.5 | Low | 208 Ų | 208 | 146.6 Ų | 146.6 | 79% | 0.788 | 71% | 0.709 | S | S | * | * | trans | -74.7 | 113.1 | 163.1 | -68.4 | 96.2 | 0 | 0 | 0 | 107 | R263 | R263-W265 PolarHBondContact O-N 2.76Š| ||
| 266 | Q | 36.8 | Very low | 49.9 | Very low | 261 Ų | 261 | 152.2 Ų | 152.2 | 100% | 1.22 | 72% | 0.719 | S | S | * | * | trans | -83 | 0 | 158.6 | -89.4 | 175.6 | -48.8 | 0 | 0 | 109.3 | L264 | L264-Q266 PolarHBondContact O-N 3.1Š|
Retrieved 266 of 266 residues in 185.1 ms
(Link to these results)