| 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 | 33.4 | Very low | 28.9 | Very low | 216 Ų | 216 | 159.5 Ų | 159.5 | 100% | 1.064 | 85% | 0.854 | S | S | * | * | 0 | 94.2 | 0 | -93.4 | -177.7 | 169.2 | 0 | 0 | 107 | F215 | M1-F215 HydrophobicContact CE-CZ 4.16Š| |||
| 2 | T | 24.7 | Very low | 29.2 | Very low | 120 Ų | 120 | 156.1 Ų | 156.1 | 74% | 0.736 | 85% | 0.847 | S | S | * | * | trans | -147.5 | 89.8 | 179.2 | -25.6 | 0 | 0 | 0 | 0 | 108.5 | Y4 | T2-Y4 HydrophobicContact CG2-CD2 3.71Å; T2-Y4 HydrophobicContact CG2-CE2 3.38Å | ||
| 3 | T | 27.2 | Very low | 29 | Very low | 146 Ų | 146 | 156.5 Ų | 156.5 | 90% | 0.896 | 85% | 0.847 | S | S | * | * | trans | -87.1 | 121 | 166.7 | 4.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 4 | Y | 31 | Very low | 29 | Very low | 207 Ų | 207 | 155.2 Ų | 155.2 | 81% | 0.812 | 84% | 0.838 | S | S | * | * | trans | -117.7 | 116.9 | 168 | -86.7 | -73.2 | 0 | 0 | 0 | 109.8 | T2 | T2-Y4 HydrophobicContact CG2-CD2 3.71Å; T2-Y4 HydrophobicContact CG2-CE2 3.38Å | ||
| 5 | A | 29.3 | Very low | 28.9 | Very low | 97 Ų | 97 | 161 Ų | 161 | 80% | 0.802 | 84% | 0.843 | S | S | * | * | trans | -73.4 | 131.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 6 | I | 31.3 | Very low | 28.7 | Very low | 165 Ų | 165 | 155.6 Ų | 155.6 | 85% | 0.846 | 84% | 0.839 | S | S | * | * | trans | -86 | 118.9 | 171.9 | -64.6 | 175.8 | 0 | 0 | 0 | 108.7 | ||||
| 7 | L | 28.2 | Very low | 28.7 | Very low | 167 Ų | 167 | 161 Ų | 161 | 87% | 0.874 | 84% | 0.844 | S | S | * | * | trans | -72.8 | 114.4 | 170.5 | -82.8 | 152.9 | 0 | 0 | 0 | 110.2 | ||||
| 8 | S | 29.1 | Very low | 28.7 | Very low | 109 Ų | 109 | 163.7 Ų | 163.7 | 76% | 0.762 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -90 | 119 | 165.9 | 60.4 | 0 | 0 | 0 | 0 | 110.3 | ||
| 9 | R | 27.9 | Very low | 28.6 | Very low | 246 Ų | 246 | 159.6 Ų | 159.6 | 93% | 0.928 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 119.3 | 170.5 | -72.2 | -178.6 | 178.7 | -129.8 | 1.1 | 108.7 | ||
| 10 | L | 27.6 | Very low | 28.5 | Very low | 166 Ų | 166 | 157.5 Ų | 157.5 | 87% | 0.869 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 130.3 | 165.5 | -81.9 | 161.7 | 0 | 0 | 0 | 109.3 | ||
| 11 | S | 28.1 | Very low | 28.5 | Very low | 115 Ų | 115 | 160.1 Ų | 160.1 | 80% | 0.804 | 85% | 0.851 | S | S | * | * | trans | -112.9 | 145.6 | 165.5 | -60.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 12 | P | 32.2 | Very low | 28.4 | Very low | 119 Ų | 119 | 155.9 Ų | 155.9 | 77% | 0.773 | 84% | 0.837 | S | S | * | * | trans | -105.8 | 139.3 | -165 | 36.5 | -27.2 | 0 | 0 | 0 | 113.1 | ||||
| 13 | L | 27.6 | Very low | 28.5 | Very low | 161 Ų | 161 | 161.5 Ų | 161.5 | 84% | 0.843 | 85% | 0.845 | S | S | * | * | trans | -143.7 | 112.8 | 161 | -80.4 | 170.8 | 0 | 0 | 0 | 113.1 | ||||
| 14 | L | 28.2 | Very low | 28.4 | Very low | 139 Ų | 139 | 159.3 Ų | 159.3 | 73% | 0.728 | 84% | 0.842 | S | S | * | * | trans | 56.4 | 110.7 | 132.7 | -69.8 | 162.2 | 0 | 0 | 0 | 122.9 | ||||
| 15 | R | 27.7 | Very low | 28.3 | Very low | 242 Ų | 242 | 157.2 Ų | 157.2 | 91% | 0.913 | 84% | 0.843 | S | S | * | * | 45.4 | 116.2 | 125.5 | -73.8 | -175.7 | 177.4 | -166.3 | 0.7 | 120 | |||||
| 16 | G | 26 | Very low | 28.2 | Very low | 75 Ų | 75 | 158 Ų | 158 | 77% | 0.773 | 84% | 0.843 | S | S | * | * | trans | -144 | 110.9 | 147.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 17 | R | 27.7 | Very low | 28 | Very low | 247 Ų | 247 | 155.7 Ų | 155.7 | 93% | 0.932 | 84% | 0.84 | S | S | * | * | trans | -77.5 | 122.3 | 173 | -95.4 | 178.9 | 169.9 | 178.7 | -4.6 | 109.1 | ||||
| 18 | F | 30.2 | Very low | 28 | Very low | 209 Ų | 209 | 152 Ų | 152 | 92% | 0.917 | 83% | 0.833 | S | S | * | * | trans | -132.6 | 115.8 | 155.3 | -86.4 | -83 | 0 | 0 | 0 | 109 | ||||
| 19 | G | 26.3 | Very low | 28 | Very low | 86 Ų | 86 | 153.2 Ų | 153.2 | 89% | 0.887 | 84% | 0.836 | S | S | * | * | trans | -80.6 | 122.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 20 | C | 27.1 | Very low | 28 | Very low | 118 Ų | 118 | 147.5 Ų | 147.5 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | trans | -116.3 | 119.6 | 166.5 | -160.3 | 0 | 0 | 0 | 0 | 108.3 | V22 | C20-V22 PolarHBondContact O-N 3.31Š| ||
| 21 | K | 28.6 | Very low | 28.1 | Very low | 212 Ų | 212 | 145.2 Ų | 145.2 | 92% | 0.922 | 83% | 0.825 | S | S | * | * | trans | -71.5 | 108.8 | 177 | -77.8 | 179.5 | 174.9 | 177.6 | 0 | 109 | ||||
| 22 | V | 29.6 | Very low | 28.2 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 77% | 0.77 | 82% | 0.82 | S | S | * | * | trans | -106.1 | 122.3 | 167.8 | -178 | 0 | 0 | 0 | 0 | 108.4 | C20 A24 | C20-V22 PolarHBondContact O-N 3.31Å; V22-A24 PolarHBondContact O-N 3.06Å | ||
| 23 | R | 27.7 | Very low | 28.3 | Very low | 239 Ų | 239 | 147.3 Ų | 147.3 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | trans | -62.4 | 115.8 | 171.4 | -93.2 | 176.7 | 165.6 | -179.5 | -4.2 | 108.9 | I25 | R23-I25 PolarHBondContact O-N 3.42Š| ||
| 24 | A | 24.5 | Very low | 28.5 | Very low | 100 Ų | 100 | 147.4 Ų | 147.4 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | trans | -72.3 | 116.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | V22 | V22-A24 PolarHBondContact O-N 3.06Š| ||
| 25 | I | 30 | Very low | 28.6 | Very low | 163 Ų | 163 | 149.1 Ų | 149.1 | 84% | 0.836 | 83% | 0.827 | S | S | * | * | trans | -88.3 | 106 | 162.6 | -62.3 | 174.4 | 0 | 0 | 0 | 105.3 | R23 C27 | R23-I25 PolarHBondContact O-N 3.42Å; I25-C27 PolarHBondContact O-N 2.9Å; I25-C27 VanDerWaalsContact O-N 3.15Å | ||
| 26 | S | 26.6 | Very low | 29 | Very low | 113 Ų | 113 | 147 Ų | 147 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | trans | -71.6 | 102.9 | 175.3 | 60.7 | 0 | 0 | 0 | 0 | 109.3 | A28 | S26-A28 PolarHBondContact O-N 3.45Š| ||
| 27 | C | 27 | Very low | 29.2 | Very low | 116 Ų | 116 | 149.6 Ų | 149.6 | 78% | 0.784 | 83% | 0.825 | S | S | * | * | trans | -85 | 104.6 | 161.6 | -151.2 | 0 | 0 | 0 | 0 | 106.7 | I25 V29 | I25-C27 PolarHBondContact O-N 2.9Å; I25-C27 VanDerWaalsContact O-N 3.15Å; C27-V29 PolarHBondContact O-N 3.24Å | ||
| 28 | A | 28.1 | Very low | 29.7 | Very low | 90 Ų | 90 | 147.2 Ų | 147.2 | 74% | 0.744 | 83% | 0.825 | S | S | * | * | trans | -67.6 | 101.9 | 176 | 0 | 0 | 0 | 0 | 0 | 108.7 | S26 T30 | S26-A28 PolarHBondContact O-N 3.45Å; A28-T30 PolarHBondContact O-N 2.66Å | ||
| 29 | V | 29.8 | Very low | 30.1 | Very low | 134 Ų | 134 | 139.5 Ų | 139.5 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -77.1 | 104 | 164.7 | -178.7 | 0 | 0 | 0 | 0 | 106.2 | C27 C31 | C27-V29 PolarHBondContact O-N 3.24Å; V29-C31 PolarHBondContact O-N 2.63Å | ||
| 30 | T | 27 | Very low | 31.1 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -59.2 | 107.6 | 168.7 | 30.8 | 0 | 0 | 0 | 0 | 108.9 | A28 S32 | A28-T30 PolarHBondContact O-N 2.66Å; T30-S32 PolarHBondContact O-N 3.12Å | ||
| 31 | C | 29.8 | Very low | 32.9 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -67.4 | 96.1 | 163.9 | -171.2 | 0 | 0 | 0 | 0 | 107.2 | V29 Q33 | V29-C31 PolarHBondContact O-N 2.63Å; C31-Q33 PolarHBondContact O-N 3.02Å | ||
| 32 | S | 29.7 | Very low | 35.4 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | trans | -73.8 | 110.8 | 166.6 | 49.2 | 0 | 0 | 0 | 0 | 107.8 | T30 L34 | T30-S32 PolarHBondContact O-N 3.12Å; S32-L34 PolarHBondContact O-N 2.54Å; S32-L34 VanDerWaalsContact O-N 3.11Å | ||
| 33 | Q | 34.3 | Very low | 38.4 | Very low | 178 Ų | 178 | 129.4 Ų | 129.4 | 83% | 0.832 | 73% | 0.731 | S | S | * | * | trans | -60.5 | 112.1 | 167.5 | -68.1 | -171 | -10.5 | 0 | 0 | 108.3 | C31 H35 | C31-Q33 PolarHBondContact O-N 3.02Å; Q33-H35 PolarHBondContact O-N 3.27Å | ||
| 34 | L | 32.3 | Very low | 41.4 | Very low | 163 Ų | 163 | 122.9 Ų | 122.9 | 85% | 0.853 | 72% | 0.718 | S | S | * | * | trans | -72.8 | 111.6 | 172.6 | -90.8 | 154.6 | 0 | 0 | 0 | 108.9 | S32 K36 | S32-L34 PolarHBondContact O-N 2.54Å; S32-L34 VanDerWaalsContact O-N 3.11Å; L34-K36 PolarHBondContact O-N 2.94Å | ||
| 35 | H | 29.8 | Very low | 44.7 | Very low | 176 Ų | 176 | 119.6 Ų | 119.6 | 82% | 0.815 | 69% | 0.694 | S | S | * | * | trans | -55.1 | 127 | 158.1 | -90.8 | -94.3 | 0 | 0 | 0 | 109.5 | Q33 V37 | Q33-H35 PolarHBondContact O-N 3.27Å; H35-V37 PolarHBondContact O-N 3.35Å | ||
| 36 | K | 36 | Very low | 47.8 | Very low | 197 Ų | 197 | 118.8 Ų | 118.8 | 86% | 0.857 | 68% | 0.684 | S | S | * | * | trans | -55.2 | 114.9 | 166.6 | -100.4 | 177.4 | 169.7 | -176.9 | 0 | 109.9 | L34 | L34-K36 PolarHBondContact O-N 2.94Š| ||
| 37 | V | 31.4 | Very low | 51.1 | Low | 130 Ų | 130 | 117.4 Ų | 117.4 | 79% | 0.788 | 67% | 0.671 | S | S | * | * | trans | -123.6 | 118.2 | 151.6 | 179.4 | 0 | 0 | 0 | 0 | 105.1 | H35 G39 | H35-V37 PolarHBondContact O-N 3.35Å; V37-G39 PolarHBondContact O-N 2.92Å | ||
| 38 | E | 37.4 | Very low | 54.2 | Low | 196 Ų | 196 | 114.7 Ų | 114.7 | 92% | 0.916 | 65% | 0.648 | S | S | * | * | trans | -67.6 | 85.3 | 175 | -74.4 | 179.2 | 160.3 | 0 | 0 | 109.4 | ||||
| 39 | G | 38.7 | Very low | 57.2 | Low | 48 Ų | 48 | 118.8 Ų | 118.8 | 50% | 0.495 | 65% | 0.645 | S | S | . | * | trans | -129.5 | 124.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | V37 V41 | V37-G39 PolarHBondContact O-N 2.92Å; G39-V41 PolarHBondContact O-N 2.87Å | ||
| 40 | F | 47.2 | Very low | 60 | Low | 167 Ų | 167 | 119.5 Ų | 119.5 | 73% | 0.732 | 64% | 0.637 | S | S | * | * | trans | -59.1 | 108.6 | 176.4 | -89.9 | -86.6 | 0 | 0 | 0 | 109 | G42 L74 | F40-G42 PolarHBondContact O-N 3Å; F40-L74 HydrophobicContact CD1-CD2 3.49Å; F40-L74 VanDerWaalsContact CD1-CD2 3.49Å; F40-L74 HydrophobicContact CE1-CD2 4.05Å; F40-L74 HydrophobicContact CG-CD2 4.44Å | ||
| 41 | V | 65.4 | Low | 63.1 | Low | 123 Ų | 123 | 114.4 Ų | 114.4 | 75% | 0.745 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 118.9 | 173.1 | -177.8 | 0 | 0 | 0 | 0 | 106.6 | G39 | G39-V41 PolarHBondContact O-N 2.87Š|
| 42 | G | 80.5 | Confident | 66.3 | Low | 29 Ų | 29 | 108.9 Ų | 108.9 | 30% | 0.299 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -56.8 | 165.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | F40 T44 | F40-G42 PolarHBondContact O-N 3Å; G42-T44 PolarHBondContact O-N 3.45Å |
| 43 | L | 92.9 | Very high | 69.5 | Low | 12 Ų | 12 | 104.1 Ų | 104.1 | 6% | 0.063 | 54% | 0.539 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 133.2 | 176.4 | -62.7 | 173.3 | 0 | 0 | 0 | 110.1 | V55 V60 F71 L75 S78 W82 | L43-V55 HydrophobicContact CB-CG1 4.35Å; L43-V60 HydrophobicContact CD2-CG1 3.83Å; L43-F71 HydrophobicContact CD1-CE2 4.08Å; L43-F71 HydrophobicContact CD1-CZ 4.38Å; L43-L75 HydrophobicContact CD1-CB 4.47Å; L43-L75 HydrophobicContact CD1-CD1 4.02Å; L43-S78 WeakPolarHBondContact CB-OG 3.46Å; L43-S78 PolarHBondContact N-OG 3.4Å; L43-W82 HydrophobicContact CB-CH2 3.87Å; L43-W82 HydrophobicContact CB-CZ2 4.1Å; L43-W82 HydrophobicContact CD1-CH2 4.43Å; L43-W82 WeakPolarHBondContact O-CZ2 3.42Å |
| 44 | T | 90.2 | Very high | 72.5 | Confident | 102 Ų | 102 | 97.9 Ų | 97.9 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -98 | 134.2 | 174.3 | 55.8 | 0 | 0 | 0 | 0 | 110.2 | G42 | G42-T44 PolarHBondContact O-N 3.45Š|
| 45 | G | 93.9 | Very high | 75.7 | Confident | 30 Ų | 30 | 90.1 Ų | 90.1 | 31% | 0.309 | 47% | 0.473 | S | S | . | . | trans | -135.5 | 162.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | T54 | G45-T54 CarbonylContact C-O 3.59Å; G45-T54 WeakPolarHBondContact CA-O 3.34Å | ||
| 46 | K | 96.1 | Very high | 78.9 | Confident | 146 Ų | 146 | 83.4 Ų | 83.4 | 64% | 0.635 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 129.2 | 174.8 | -67.1 | 174.3 | -175.7 | 160.4 | 0 | 109.1 | T54 E59 | K46-T54 PolarHBondContact N-O 3.13Å; K46-T54 PolarHBondContact O-N 3.27Å; K46-E59 IonicContact NZ-OE2 3.49Å |
| 47 | V | 96 | Very high | 81.8 | Confident | 84 Ų | 84 | 74.1 Ų | 74.1 | 51% | 0.509 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 130.2 | 179.9 | -175.8 | 0 | 0 | 0 | 0 | 109.9 | G52 V53 | V47-G52 CarbonylContact C-O 3.57Å; V47-G52 VanDerWaalsContact CA-O 3.29Å; V47-G52 WeakPolarHBondContact CA-O 3.48Å; V47-V53 HydrophobicContact CG2-CG2 4.38Å |
| 48 | D | 92.2 | Very high | 84.7 | Confident | 59 Ų | 59 | 71.2 Ų | 71.2 | 32% | 0.316 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -89.7 | 170.6 | 174 | 71.7 | 42.1 | 0 | 0 | 0 | 112.7 | F50 G51 G52 | D48-F50 PolarHBondContact O-N 2.94Å; D48-F50 VanDerWaalsContact O-N 3.14Å; D48-F50 VanDerWaalsContact OD1-C 3.32Å; D48-F50 VanDerWaalsContact OD1-CA 3.27Å; D48-F50 WeakPolarHBondContact OD1-CA 3.18Å; D48-F50 WeakPolarHBondContact OD1-CB 3.48Å; D48-F50 PolarHBondContact OD1-N 2.86Å; D48-G51 PolarHBondContact O-N 2.85Å; D48-G51 VanDerWaalsContact O-N 3.15Å; D48-G51 PolarHBondContact OD1-N 2.74Å; D48-G51 VanDerWaalsContact OD1-N 3.08Å; D48-G52 PolarHBondContact N-O 2.78Å; D48-G52 PolarHBondContact OD1-N 3.33Å; D48-G52 WeakPolarHBondContact OD2-CA 3.28Å |
| 49 | R | 89.9 | Confident | 87.4 | Confident | 177 Ų | 177 | 67.9 Ų | 67.9 | 67% | 0.668 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -13.6 | -178.6 | 69.5 | 179.8 | 180 | -177.9 | -1.4 | 114.7 | ||
| 50 | F | 89.9 | Confident | 89.9 | Confident | 149 Ų | 149 | 67.7 Ų | 67.7 | 65% | 0.654 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 6.4 | 179.9 | -55.9 | -68.2 | 0 | 0 | 0 | 112.1 | D48 | D48-F50 PolarHBondContact O-N 2.94Å; D48-F50 VanDerWaalsContact O-N 3.14Å; D48-F50 VanDerWaalsContact OD1-C 3.32Å; D48-F50 VanDerWaalsContact OD1-CA 3.27Å; D48-F50 WeakPolarHBondContact OD1-CA 3.18Å; D48-F50 WeakPolarHBondContact OD1-CB 3.48Å; D48-F50 PolarHBondContact OD1-N 2.86Å |
| 51 | G | 91.8 | Very high | 92 | Very high | 18 Ų | 18 | 63 Ų | 63 | 19% | 0.186 | 36% | 0.364 | C | S | . | . | S | Bend | trans | 79.7 | 16.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | D48 K87 M88 | D48-G51 PolarHBondContact O-N 2.85Å; D48-G51 VanDerWaalsContact O-N 3.15Å; D48-G51 PolarHBondContact OD1-N 2.74Å; D48-G51 VanDerWaalsContact OD1-N 3.08Å; G51-K87 WeakPolarHBondContact O-CA 3.07Å; G51-M88 PolarHBondContact O-N 3.07Å |
| 52 | G | 95.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 148.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V47 D48 A89 | V47-G52 CarbonylContact C-O 3.57Å; V47-G52 VanDerWaalsContact CA-O 3.29Å; V47-G52 WeakPolarHBondContact CA-O 3.48Å; D48-G52 PolarHBondContact N-O 2.78Å; D48-G52 PolarHBondContact OD1-N 3.33Å; D48-G52 WeakPolarHBondContact OD2-CA 3.28Å; G52-A89 CarbonylContact C-O 3.53Å; G52-A89 WeakPolarHBondContact CA-O 3.46Å |
| 53 | V | 97.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.006 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 123.9 | 175.2 | -175.7 | 0 | 0 | 0 | 0 | 109.7 | V47 V55 W82 K87 A89 V90 W91 | V47-V53 HydrophobicContact CG2-CG2 4.38Å; V53-V55 HydrophobicContact CG1-CG2 4.36Å; V53-W82 HydrophobicContact CG1-CD2 4.45Å; V53-W82 HydrophobicContact CG1-CZ2 3.92Å; V53-W82 HydrophobicContact CG2-CG 4.25Å; V53-K87 HydrophobicContact CG2-CB 4.01Å; V53-K87 HydrophobicContact CG2-CD 3.73Å; V53-K87 HydrophobicContact CG2-CG 3.58Å; V53-A89 PolarHBondContact N-O 3.31Å; V53-V90 CarbonylContact O-C 3.58Å; V53-V90 WeakPolarHBondContact O-CA 3.25Å; V53-W91 PolarHBondContact O-N 3.41Å |
| 54 | T | 98.1 | Very high | 93.4 | Very high | 47 Ų | 47 | 65.1 Ų | 65.1 | 29% | 0.288 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 120.3 | 176.1 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | G45 K46 W91 | G45-T54 CarbonylContact C-O 3.59Å; G45-T54 WeakPolarHBondContact CA-O 3.34Å; K46-T54 PolarHBondContact N-O 3.13Å; K46-T54 PolarHBondContact O-N 3.27Å; T54-W91 WeakPolarHBondContact CA-O 3.29Å; T54-W91 HydrophobicContact CG2-CB 4.09Å |
| 55 | V | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 121.3 | 176.1 | -171.6 | 0 | 0 | 0 | 0 | 109.1 | L43 V53 L57 V60 W82 W91 L92 Q93 | L43-V55 HydrophobicContact CB-CG1 4.35Å; V53-V55 HydrophobicContact CG1-CG2 4.36Å; V55-L57 HydrophobicContact CG1-CD2 3.89Å; V55-V60 HydrophobicContact CG1-CG2 3.55Å; V55-W82 HydrophobicContact CG2-CH2 3.63Å; V55-W82 HydrophobicContact CG2-CZ2 3.8Å; V55-W91 PolarHBondContact N-O 2.98Å; V55-L92 HydrophobicContact CB-CD2 3.76Å; V55-L92 HydrophobicContact CG1-CD2 4.45Å; V55-L92 HydrophobicContact CG2-CD2 4.06Å; V55-Q93 PolarHBondContact O-N 2.82Å |
| 56 | N | 97.3 | Very high | 93.5 | Very high | 34 Ų | 34 | 65.5 Ų | 65.5 | 18% | 0.182 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 105.3 | 170.3 | -177.7 | -2.4 | 0 | 0 | 0 | 109.6 | A58 E59 V60 Q93 | N56-A58 PolarHBondContact O-N 3.39Å; N56-A58 VanDerWaalsContact O-N 3.14Å; N56-A58 WeakPolarHBondContact OD1-CB 3.42Å; N56-A58 PolarHBondContact OD1-N 3.39Å; N56-A58 VanDerWaalsContact OD1-N 3.09Å; N56-E59 HydrophobicContact CB-CB 4.26Å; N56-E59 HydrophobicContact CB-CG 4.28Å; N56-E59 PolarHBondContact ND2-OE1 2.82Å; N56-E59 PolarHBondContact O-N 2.93Å; N56-V60 WeakPolarHBondContact O-CG2 3.35Å; N56-V60 PolarHBondContact O-N 2.94Å; N56-Q93 VanDerWaalsContact CG-OE1 3.23Å; N56-Q93 PolarHBondContact ND2-OE1 3.41Å |
| 57 | L | 96.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -21.4 | -176 | -62.7 | -167.8 | 0 | 0 | 0 | 113.3 | V55 E59 V60 L62 F71 Q93 V94 L98 C101 | V55-L57 HydrophobicContact CG1-CD2 3.89Å; L57-E59 VanDerWaalsContact C-N 3.26Å; L57-E59 PolarHBondContact O-N 3.32Å; L57-V60 HydrophobicContact CD2-CG2 4.41Å; L57-L62 HydrophobicContact CD2-CD1 4.08Å; L57-F71 HydrophobicContact CD1-CE2 3.84Å; L57-F71 HydrophobicContact CD1-CZ 3.81Å; L57-F71 HydrophobicContact CD2-CE2 3.81Å; L57-F71 HydrophobicContact CD2-CZ 4.15Å; L57-Q93 WeakPolarHBondContact CB-O 3.39Å; L57-Q93 PolarHBondContact N-O 2.86Å; L57-V94 HydrophobicContact CD1-CB 4.38Å; L57-V94 HydrophobicContact CD1-CG1 4.3Å; L57-V94 HydrophobicContact CD1-CG2 3.77Å; L57-V94 HydrophobicContact CG-CG2 4.44Å; L57-L98 HydrophobicContact CB-CD1 3.97Å; L57-C101 HydrophobicContact CD1-CB 3.67Å |
| 58 | A | 93.3 | Very high | 93.7 | Very high | 69 Ų | 69 | 61.9 Ų | 61.9 | 57% | 0.57 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -25.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N56 P95 | N56-A58 PolarHBondContact O-N 3.39Å; N56-A58 VanDerWaalsContact O-N 3.14Å; N56-A58 WeakPolarHBondContact OD1-CB 3.42Å; N56-A58 PolarHBondContact OD1-N 3.39Å; N56-A58 VanDerWaalsContact OD1-N 3.09Å; A58-P95 HydrophobicContact CB-CG 4.2Å |
| 59 | E | 93.9 | Very high | 93.9 | Very high | 127 Ų | 127 | 65 Ų | 65 | 59% | 0.593 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -14.7 | -178.4 | -70 | 173.1 | -150 | 0 | 0 | 113.1 | K46 N56 L57 G61 | K46-E59 IonicContact NZ-OE2 3.49Å; N56-E59 HydrophobicContact CB-CB 4.26Å; N56-E59 HydrophobicContact CB-CG 4.28Å; N56-E59 PolarHBondContact ND2-OE1 2.82Å; N56-E59 PolarHBondContact O-N 2.93Å; L57-E59 VanDerWaalsContact C-N 3.26Å; L57-E59 PolarHBondContact O-N 3.32Å; E59-G61 VanDerWaalsContact C-N 3.29Å; E59-G61 PolarHBondContact O-N 2.96Å |
| 60 | V | 91.8 | Very high | 94.2 | Very high | 44 Ų | 44 | 57.8 Ų | 57.8 | 27% | 0.267 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -22.8 | -177.7 | 174.5 | 0 | 0 | 0 | 0 | 112.5 | L43 V55 N56 L57 L62 | L43-V60 HydrophobicContact CD2-CG1 3.83Å; V55-V60 HydrophobicContact CG1-CG2 3.55Å; N56-V60 WeakPolarHBondContact O-CG2 3.35Å; N56-V60 PolarHBondContact O-N 2.94Å; L57-V60 HydrophobicContact CD2-CG2 4.41Å; V60-L62 HydrophobicContact CB-CG 4.21Å; V60-L62 HydrophobicContact CG1-CD1 4.47Å; V60-L62 HydrophobicContact CG1-CD2 3.88Å; V60-L62 HydrophobicContact CG1-CG 3.81Å |
| 61 | G | 89.6 | Confident | 94.6 | Very high | 68 Ų | 68 | 50.7 Ų | 50.7 | 70% | 0.701 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | 30.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E59 | E59-G61 VanDerWaalsContact C-N 3.29Å; E59-G61 PolarHBondContact O-N 2.96Å |
| 62 | L | 90.9 | Very high | 94.9 | Very high | 29 Ų | 29 | 51 Ų | 51 | 15% | 0.152 | 31% | 0.313 | C | S | . | . | trans | -67.9 | 144.7 | 173.9 | -62.7 | 176.9 | 0 | 0 | 0 | 110.9 | L57 V60 V64 I66 F71 L74 | L57-L62 HydrophobicContact CD2-CD1 4.08Å; V60-L62 HydrophobicContact CB-CG 4.21Å; V60-L62 HydrophobicContact CG1-CD1 4.47Å; V60-L62 HydrophobicContact CG1-CD2 3.88Å; V60-L62 HydrophobicContact CG1-CG 3.81Å; L62-V64 PolarHBondContact O-N 2.78Å; L62-I66 HydrophobicContact CD1-CD1 4.47Å; L62-I66 HydrophobicContact CD2-CD1 3.97Å; L62-F71 HydrophobicContact CD1-CD2 3.82Å; L62-F71 HydrophobicContact CD1-CE2 3.91Å; L62-L74 HydrophobicContact CD2-CD1 4.11Å | ||
| 63 | P | 91.1 | Very high | 94.9 | Very high | 73 Ų | 73 | 58.3 Ų | 58.3 | 47% | 0.474 | 34% | 0.339 | S | S | . | . | trans | -56.7 | 137.8 | 168.5 | -22 | 32.7 | 0 | 0 | 0 | 110.8 | D65 I66 | P63-D65 VanDerWaalsContact CB-OD1 3.26Å; P63-D65 WeakPolarHBondContact CB-OD1 3.28Å; P63-D65 PolarHBondContact O-N 3.49Å; P63-D65 VanDerWaalsContact O-N 3.17Å; P63-I66 WeakPolarHBondContact O-CB 3.37Å; P63-I66 WeakPolarHBondContact O-CG2 3.34Å; P63-I66 PolarHBondContact O-N 2.67Å; P63-I66 VanDerWaalsContact O-N 3.09Å | ||
| 64 | V | 86.6 | Confident | 94.9 | Very high | 106 Ų | 106 | 59.4 Ų | 59.4 | 64% | 0.642 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -26.9 | -179.9 | -179.5 | 0 | 0 | 0 | 0 | 111.6 | L62 | L62-V64 PolarHBondContact O-N 2.78Š|
| 65 | D | 91.6 | Very high | 94.9 | Very high | 125 Ų | 125 | 57.2 Ų | 57.2 | 67% | 0.668 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 12.5 | -179.5 | 65.7 | -25.7 | 0 | 0 | 0 | 113.9 | P63 S67 | P63-D65 VanDerWaalsContact CB-OD1 3.26Å; P63-D65 WeakPolarHBondContact CB-OD1 3.28Å; P63-D65 PolarHBondContact O-N 3.49Å; P63-D65 VanDerWaalsContact O-N 3.17Å; D65-S67 PolarHBondContact O-N 2.89Å |
| 66 | I | 95.6 | Very high | 94.9 | Very high | 15 Ų | 15 | 63.1 Ų | 63.1 | 8% | 0.077 | 36% | 0.357 | C | S | . | . | trans | -48.7 | 133.2 | 178.1 | -170.4 | 167.4 | 0 | 0 | 0 | 111.2 | L62 P63 A70 F71 L74 L98 R100 | L62-I66 HydrophobicContact CD1-CD1 4.47Å; L62-I66 HydrophobicContact CD2-CD1 3.97Å; P63-I66 WeakPolarHBondContact O-CB 3.37Å; P63-I66 WeakPolarHBondContact O-CG2 3.34Å; P63-I66 PolarHBondContact O-N 2.67Å; P63-I66 VanDerWaalsContact O-N 3.09Å; I66-A70 HydrophobicContact CD1-CB 4.43Å; I66-A70 HydrophobicContact CG1-CB 3.95Å; I66-F71 HydrophobicContact CD1-CB 4Å; I66-F71 HydrophobicContact CG1-CB 4.31Å; I66-L74 HydrophobicContact CD1-CD1 4.04Å; I66-L98 HydrophobicContact CG2-CD2 4.32Å; I66-R100 WeakPolarHBondContact O-CD 3.49Å | ||
| 67 | S | 96.9 | Very high | 94.8 | Very high | 58 Ų | 58 | 65.7 Ų | 65.7 | 41% | 0.406 | 37% | 0.371 | S | S | . | . | trans | -75.6 | 153.5 | 177.2 | 70.9 | 0 | 0 | 0 | 0 | 111.3 | D65 D69 A70 F71 | D65-S67 PolarHBondContact O-N 2.89Å; S67-D69 VanDerWaalsContact C-N 3.26Å; S67-D69 PolarHBondContact O-N 2.6Å; S67-A70 PolarHBondContact O-N 3.45Å; S67-A70 VanDerWaalsContact OG-CB 3.28Å; S67-A70 WeakPolarHBondContact OG-CB 3.22Å; S67-A70 PolarHBondContact OG-N 2.94Å; S67-A70 VanDerWaalsContact OG-N 3.17Å; S67-F71 PolarHBondContact O-N 3.1Å | ||
| 68 | E | 97.8 | Very high | 94.9 | Very high | 97 Ų | 97 | 65.7 Ų | 65.7 | 45% | 0.453 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -56.7 | -41.3 | 175.5 | -67.6 | -179.7 | -167.4 | 0 | 0 | 111.4 | F71 S72 R100 A104 | E68-F71 PolarHBondContact O-N 2.99Å; E68-S72 WeakPolarHBondContact O-CB 3.29Å; E68-S72 PolarHBondContact O-N 3.16Å; E68-R100 HydrophobicContact CG-CB 4Å; E68-A104 HydrophobicContact CB-CB 4.06Å; E68-A104 HydrophobicContact CG-CB 4.44Å |
| 69 | D | 97.6 | Very high | 95.1 | Very high | 123 Ų | 123 | 63.5 Ų | 63.5 | 66% | 0.658 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66.1 | -37.4 | 177.2 | -68.3 | -27.9 | 0 | 0 | 0 | 113.6 | S67 R73 | S67-D69 VanDerWaalsContact C-N 3.26Å; S67-D69 PolarHBondContact O-N 2.6Å; D69-R73 WeakPolarHBondContact O-CG 3.33Å; D69-R73 PolarHBondContact O-N 3.04Å; D69-R73 PolarHBondContact O-NE 3.3Å |
| 70 | A | 96.4 | Very high | 95.2 | Very high | 26 Ų | 26 | 62 Ų | 62 | 22% | 0.215 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.7 | -47.5 | 177 | 0 | 0 | 0 | 0 | 0 | 110.4 | I66 S67 R73 L74 | I66-A70 HydrophobicContact CD1-CB 4.43Å; I66-A70 HydrophobicContact CG1-CB 3.95Å; S67-A70 PolarHBondContact O-N 3.45Å; S67-A70 VanDerWaalsContact OG-CB 3.28Å; S67-A70 WeakPolarHBondContact OG-CB 3.22Å; S67-A70 PolarHBondContact OG-N 2.94Å; S67-A70 VanDerWaalsContact OG-N 3.17Å; A70-R73 PolarHBondContact O-N 3.34Å; A70-L74 WeakPolarHBondContact O-CG 3.28Å; A70-L74 PolarHBondContact O-N 2.98Å |
| 71 | F | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 176.2 | -179.6 | -101.6 | 0 | 0 | 0 | 112.3 | L43 L57 L62 I66 S67 E68 R73 L74 L75 L92 C101 A104 A105 | L43-F71 HydrophobicContact CD1-CE2 4.08Å; L43-F71 HydrophobicContact CD1-CZ 4.38Å; L57-F71 HydrophobicContact CD1-CE2 3.84Å; L57-F71 HydrophobicContact CD1-CZ 3.81Å; L57-F71 HydrophobicContact CD2-CE2 3.81Å; L57-F71 HydrophobicContact CD2-CZ 4.15Å; L62-F71 HydrophobicContact CD1-CD2 3.82Å; L62-F71 HydrophobicContact CD1-CE2 3.91Å; I66-F71 HydrophobicContact CD1-CB 4Å; I66-F71 HydrophobicContact CG1-CB 4.31Å; S67-F71 PolarHBondContact O-N 3.1Å; E68-F71 PolarHBondContact O-N 2.99Å; F71-R73 VanDerWaalsContact C-N 3.32Å; F71-R73 PolarHBondContact O-N 3.05Å; F71-L74 WeakPolarHBondContact O-CB 3.39Å; F71-L74 PolarHBondContact O-N 3.41Å; F71-L75 HydrophobicContact CE1-CB 4.35Å; F71-L75 HydrophobicContact CE1-CD2 3.93Å; F71-L75 HydrophobicContact CZ-CD2 4.41Å; F71-L75 WeakPolarHBondContact O-CB 3.48Å; F71-L75 PolarHBondContact O-N 2.88Å; F71-L92 HydrophobicContact CZ-CD1 4.39Å; F71-C101 HydrophobicContact CD1-CB 3.77Å; F71-C101 HydrophobicContact CD2-CB 4.29Å; F71-C101 HydrophobicContact CE1-CB 3.69Å; F71-C101 WeakPolarHBondContact CE1-O 3.4Å; F71-C101 HydrophobicContact CE2-CB 4.24Å; F71-C101 HydrophobicContact CG-CB 4.06Å; F71-C101 HydrophobicContact CZ-CB 3.94Å; F71-A104 HydrophobicContact CD1-CB 3.75Å; F71-A104 HydrophobicContact CE1-CB 4.5Å; F71-A105 HydrophobicContact CE1-CB 4.41Å |
| 72 | S | 97.9 | Very high | 95.8 | Very high | 26 Ų | 26 | 62.6 Ų | 62.6 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 178.6 | -180 | 0 | 0 | 0 | 0 | 112.1 | E68 K76 H108 | E68-S72 WeakPolarHBondContact O-CB 3.29Å; E68-S72 PolarHBondContact O-N 3.16Å; S72-K76 WeakPolarHBondContact O-CB 3.47Å; S72-K76 PolarHBondContact O-N 3.39Å; S72-H108 PolarHBondContact O-NE2 3.11Å; S72-H108 PolarHBondContact OG-NE2 3.37Å |
| 73 | R | 96.9 | Very high | 96 | Very high | 154 Ų | 154 | 68.2 Ų | 68.2 | 58% | 0.581 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64.6 | -48.6 | 173.7 | -75.3 | -178.6 | -72.4 | 156.3 | -4.7 | 112.2 | D69 A70 F71 L75 K76 D77 | D69-R73 WeakPolarHBondContact O-CG 3.33Å; D69-R73 PolarHBondContact O-N 3.04Å; D69-R73 PolarHBondContact O-NE 3.3Å; A70-R73 PolarHBondContact O-N 3.34Å; F71-R73 VanDerWaalsContact C-N 3.32Å; F71-R73 PolarHBondContact O-N 3.05Å; R73-L75 VanDerWaalsContact C-N 3.31Å; R73-L75 PolarHBondContact O-N 3.21Å; R73-K76 WeakPolarHBondContact O-CB 3.31Å; R73-K76 PolarHBondContact O-N 3.48Å; R73-D77 PolarHBondContact O-N 2.95Å |
| 74 | L | 96.5 | Very high | 96.2 | Very high | 25 Ų | 25 | 68.5 Ų | 68.5 | 13% | 0.131 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -56 | -46.6 | 176.1 | -70 | 172.7 | 0 | 0 | 0 | 111.8 | F40 L62 I66 A70 F71 S78 | F40-L74 HydrophobicContact CD1-CD2 3.49Å; F40-L74 VanDerWaalsContact CD1-CD2 3.49Å; F40-L74 HydrophobicContact CE1-CD2 4.05Å; F40-L74 HydrophobicContact CG-CD2 4.44Å; L62-L74 HydrophobicContact CD2-CD1 4.11Å; I66-L74 HydrophobicContact CD1-CD1 4.04Å; A70-L74 WeakPolarHBondContact O-CG 3.28Å; A70-L74 PolarHBondContact O-N 2.98Å; F71-L74 WeakPolarHBondContact O-CB 3.39Å; F71-L74 PolarHBondContact O-N 3.41Å; L74-S78 WeakPolarHBondContact O-CB 3.35Å; L74-S78 PolarHBondContact O-N 2.79Å; L74-S78 VanDerWaalsContact O-N 3.09Å; L74-S78 PolarHBondContact O-OG 3.26Å |
| 75 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.7 | -44.5 | -180 | -178.6 | 58.9 | 0 | 0 | 0 | 111 | L43 F71 R73 D77 S78 L79 W82 L92 A105 H108 F110 | L43-L75 HydrophobicContact CD1-CB 4.47Å; L43-L75 HydrophobicContact CD1-CD1 4.02Å; F71-L75 HydrophobicContact CE1-CB 4.35Å; F71-L75 HydrophobicContact CE1-CD2 3.93Å; F71-L75 HydrophobicContact CZ-CD2 4.41Å; F71-L75 WeakPolarHBondContact O-CB 3.48Å; F71-L75 PolarHBondContact O-N 2.88Å; R73-L75 VanDerWaalsContact C-N 3.31Å; R73-L75 PolarHBondContact O-N 3.21Å; L75-D77 PolarHBondContact O-N 2.95Å; L75-S78 WeakPolarHBondContact O-CB 3.35Å; L75-S78 PolarHBondContact O-N 3.43Å; L75-L79 HydrophobicContact CD1-CD1 4.41Å; L75-L79 HydrophobicContact CD1-CG 4.18Å; L75-L79 HydrophobicContact CG-CD1 4.06Å; L75-L79 HydrophobicContact CG-CG 4.3Å; L75-L79 VanDerWaalsContact O-CG 3.24Å; L75-L79 WeakPolarHBondContact O-CG 3.38Å; L75-L79 PolarHBondContact O-N 3.28Å; L75-W82 HydrophobicContact CD1-CZ3 4.32Å; L75-L92 HydrophobicContact CD1-CD1 4.05Å; L75-L92 HydrophobicContact CD1-CD2 4.48Å; L75-L92 HydrophobicContact CD2-CD1 4.08Å; L75-A105 HydrophobicContact CD2-CB 3.86Å; L75-H108 HydrophobicContact CD2-CB 4.37Å; L75-F110 HydrophobicContact CD1-CE2 4Å; L75-F110 HydrophobicContact CD1-CZ 4.17Å; L75-F110 HydrophobicContact CD2-CD2 4.21Å; L75-F110 HydrophobicContact CD2-CE2 3.84Å; L75-F110 HydrophobicContact CG-CE2 4.27Å |
| 76 | K | 97.8 | Very high | 96.8 | Very high | 125 Ų | 125 | 64 Ų | 64 | 54% | 0.543 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.2 | -49.3 | 177.3 | -175.3 | -179 | 177.5 | -178 | 0 | 112.1 | S72 R73 S78 L79 V80 | S72-K76 WeakPolarHBondContact O-CB 3.47Å; S72-K76 PolarHBondContact O-N 3.39Å; R73-K76 WeakPolarHBondContact O-CB 3.31Å; R73-K76 PolarHBondContact O-N 3.48Å; K76-S78 VanDerWaalsContact C-N 3.28Å; K76-S78 PolarHBondContact O-N 3.19Å; K76-L79 PolarHBondContact O-N 2.89Å; K76-V80 WeakPolarHBondContact O-CG2 3.27Å; K76-V80 PolarHBondContact O-N 2.95Å; K76-V80 VanDerWaalsContact O-N 3.09Å |
| 77 | D | 96.3 | Very high | 96.8 | Very high | 87 Ų | 87 | 65.6 Ų | 65.6 | 47% | 0.465 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.7 | -39 | -179.5 | -64.4 | -18.4 | 0 | 0 | 0 | 110.9 | R73 L75 V80 Q81 | R73-D77 PolarHBondContact O-N 2.95Å; L75-D77 PolarHBondContact O-N 2.95Å; D77-V80 PolarHBondContact O-N 3.42Å; D77-Q81 PolarHBondContact O-N 3.28Å; D77-Q81 VanDerWaalsContact O-N 3.12Å |
| 78 | S | 97.5 | Very high | 96.8 | Very high | 3 Ų | 3 | 66.2 Ų | 66.2 | 2% | 0.021 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 176.1 | -49.5 | 0 | 0 | 0 | 0 | 112.3 | L43 L74 L75 K76 V80 Q81 W82 | L43-S78 WeakPolarHBondContact CB-OG 3.46Å; L43-S78 PolarHBondContact N-OG 3.4Å; L74-S78 WeakPolarHBondContact O-CB 3.35Å; L74-S78 PolarHBondContact O-N 2.79Å; L74-S78 VanDerWaalsContact O-N 3.09Å; L74-S78 PolarHBondContact O-OG 3.26Å; L75-S78 WeakPolarHBondContact O-CB 3.35Å; L75-S78 PolarHBondContact O-N 3.43Å; K76-S78 VanDerWaalsContact C-N 3.28Å; K76-S78 PolarHBondContact O-N 3.19Å; S78-V80 VanDerWaalsContact C-N 3.35Å; S78-V80 PolarHBondContact O-N 3.49Å; S78-Q81 PolarHBondContact O-N 2.74Å; S78-W82 WeakPolarHBondContact O-CB 3.17Å; S78-W82 VanDerWaalsContact O-CD2 3.23Å; S78-W82 VanDerWaalsContact O-CG 3.3Å; S78-W82 PolarHBondContact O-N 2.96Å |
| 79 | L | 97.7 | Very high | 96.7 | Very high | 22 Ų | 22 | 61.8 Ų | 61.8 | 12% | 0.115 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 177.1 | -70.7 | 172.3 | 0 | 0 | 0 | 112.1 | L75 K76 W82 K83 V90 H108 F110 L124 L126 | L75-L79 HydrophobicContact CD1-CD1 4.41Å; L75-L79 HydrophobicContact CD1-CG 4.18Å; L75-L79 HydrophobicContact CG-CD1 4.06Å; L75-L79 HydrophobicContact CG-CG 4.3Å; L75-L79 VanDerWaalsContact O-CG 3.24Å; L75-L79 WeakPolarHBondContact O-CG 3.38Å; L75-L79 PolarHBondContact O-N 3.28Å; K76-L79 PolarHBondContact O-N 2.89Å; L79-W82 HydrophobicContact CD2-CE3 4.09Å; L79-W82 HydrophobicContact CD2-CZ3 4.27Å; L79-K83 VanDerWaalsContact O-CB 3.27Å; L79-K83 WeakPolarHBondContact O-CB 3.29Å; L79-K83 PolarHBondContact O-N 3.44Å; L79-V90 HydrophobicContact CD2-CG2 4.02Å; L79-H108 HydrophobicContact CD1-CB 3.78Å; L79-F110 HydrophobicContact CD1-CE2 4.26Å; L79-F110 HydrophobicContact CD2-CE2 4.08Å; L79-F110 HydrophobicContact CD2-CZ 4.18Å; L79-L124 HydrophobicContact CD1-CD2 4.22Å; L79-L124 HydrophobicContact CD2-CD2 3.62Å; L79-L126 HydrophobicContact CD2-CD2 4.19Å |
| 80 | V | 96.4 | Very high | 96.8 | Very high | 96 Ų | 96 | 55.9 Ų | 55.9 | 58% | 0.582 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60.8 | -47.8 | 174.4 | 171.4 | 0 | 0 | 0 | 0 | 110.2 | K76 D77 S78 K83 A84 | K76-V80 WeakPolarHBondContact O-CG2 3.27Å; K76-V80 PolarHBondContact O-N 2.95Å; K76-V80 VanDerWaalsContact O-N 3.09Å; D77-V80 PolarHBondContact O-N 3.42Å; S78-V80 VanDerWaalsContact C-N 3.35Å; S78-V80 PolarHBondContact O-N 3.49Å; V80-K83 PolarHBondContact O-N 2.98Å; V80-A84 PolarHBondContact O-N 3.25Å |
| 81 | Q | 96.3 | Very high | 96.9 | Very high | 106 Ų | 106 | 56.3 Ų | 56.3 | 50% | 0.495 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.5 | -50.3 | 178.7 | -174.3 | 62 | 53.1 | 0 | 0 | 111.7 | D77 S78 K83 A84 D85 | D77-Q81 PolarHBondContact O-N 3.28Å; D77-Q81 VanDerWaalsContact O-N 3.12Å; S78-Q81 PolarHBondContact O-N 2.74Å; Q81-K83 VanDerWaalsContact C-N 3.27Å; Q81-K83 PolarHBondContact O-N 3.37Å; Q81-A84 WeakPolarHBondContact O-CB 3.46Å; Q81-A84 PolarHBondContact O-N 2.94Å; Q81-A84 VanDerWaalsContact O-N 3.09Å; Q81-D85 PolarHBondContact NE2-OD1 3.41Å; Q81-D85 PolarHBondContact NE2-OD2 3.27Å; Q81-D85 VanDerWaalsContact O-CG 3.23Å; Q81-D85 PolarHBondContact O-N 2.81Å |
| 82 | W | 97.3 | Very high | 96.9 | Very high | 18 Ų | 18 | 56.3 Ų | 56.3 | 7% | 0.068 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.4 | -35.3 | -179.8 | -67.8 | -34.4 | 0 | 0 | 0 | 112.5 | L43 V53 V55 L75 S78 L79 D85 G86 K87 V90 L126 | L43-W82 HydrophobicContact CB-CH2 3.87Å; L43-W82 HydrophobicContact CB-CZ2 4.1Å; L43-W82 HydrophobicContact CD1-CH2 4.43Å; L43-W82 WeakPolarHBondContact O-CZ2 3.42Å; V53-W82 HydrophobicContact CG1-CD2 4.45Å; V53-W82 HydrophobicContact CG1-CZ2 3.92Å; V53-W82 HydrophobicContact CG2-CG 4.25Å; V55-W82 HydrophobicContact CG2-CH2 3.63Å; V55-W82 HydrophobicContact CG2-CZ2 3.8Å; L75-W82 HydrophobicContact CD1-CZ3 4.32Å; S78-W82 WeakPolarHBondContact O-CB 3.17Å; S78-W82 VanDerWaalsContact O-CD2 3.23Å; S78-W82 VanDerWaalsContact O-CG 3.3Å; S78-W82 PolarHBondContact O-N 2.96Å; L79-W82 HydrophobicContact CD2-CE3 4.09Å; L79-W82 HydrophobicContact CD2-CZ3 4.27Å; W82-D85 PolarHBondContact O-N 2.88Å; W82-G86 PolarHBondContact O-N 3.18Å; W82-K87 HydrophobicContact CB-CB 3.98Å; W82-K87 HydrophobicContact CB-CG 3.79Å; W82-K87 HydrophobicContact CG-CG 4.24Å; W82-K87 VanDerWaalsContact O-CB 3.24Å; W82-K87 WeakPolarHBondContact O-CB 3.36Å; W82-K87 VanDerWaalsContact O-CG 3.23Å; W82-K87 WeakPolarHBondContact O-CG 3.29Å; W82-K87 PolarHBondContact O-N 2.79Å; W82-V90 HydrophobicContact CD2-CG2 4.33Å; W82-V90 HydrophobicContact CE3-CG1 4.04Å; W82-V90 HydrophobicContact CE3-CG2 3.61Å; W82-V90 HydrophobicContact CH2-CG1 4.18Å; W82-V90 HydrophobicContact CZ3-CG1 3.63Å; W82-V90 HydrophobicContact CZ3-CG2 4.07Å; W82-L126 HydrophobicContact CB-CD1 4.19Å |
| 83 | K | 95.8 | Very high | 96.9 | Very high | 147 Ų | 147 | 57.1 Ų | 57.1 | 64% | 0.639 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -66.1 | -42.2 | 173.7 | -171.1 | 171.5 | -176.6 | 172.9 | 0 | 111.8 | L79 V80 Q81 D85 G86 | L79-K83 VanDerWaalsContact O-CB 3.27Å; L79-K83 WeakPolarHBondContact O-CB 3.29Å; L79-K83 PolarHBondContact O-N 3.44Å; V80-K83 PolarHBondContact O-N 2.98Å; Q81-K83 VanDerWaalsContact C-N 3.27Å; Q81-K83 PolarHBondContact O-N 3.37Å; K83-D85 VanDerWaalsContact C-N 3.28Å; K83-D85 PolarHBondContact O-N 2.84Å; K83-G86 PolarHBondContact O-N 2.82Å; K83-G86 VanDerWaalsContact O-N 3.16Å |
| 84 | A | 95.4 | Very high | 97 | Very high | 79 Ų | 79 | 49.9 Ų | 49.9 | 65% | 0.653 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63.8 | -35 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | V80 Q81 G86 | V80-A84 PolarHBondContact O-N 3.25Å; Q81-A84 WeakPolarHBondContact O-CB 3.46Å; Q81-A84 PolarHBondContact O-N 2.94Å; Q81-A84 VanDerWaalsContact O-N 3.09Å; A84-G86 PolarHBondContact O-N 2.96Å |
| 85 | D | 95.1 | Very high | 97 | Very high | 84 Ų | 84 | 49.6 Ų | 49.6 | 45% | 0.449 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 4.8 | 176.1 | -64.2 | -14.4 | 0 | 0 | 0 | 113.6 | Q81 W82 K83 K87 | Q81-D85 PolarHBondContact NE2-OD1 3.41Å; Q81-D85 PolarHBondContact NE2-OD2 3.27Å; Q81-D85 VanDerWaalsContact O-CG 3.23Å; Q81-D85 PolarHBondContact O-N 2.81Å; W82-D85 PolarHBondContact O-N 2.88Å; K83-D85 VanDerWaalsContact C-N 3.28Å; K83-D85 PolarHBondContact O-N 2.84Å; D85-K87 VanDerWaalsContact C-N 3.31Å; D85-K87 HydrophobicContact CB-CG 4.25Å; D85-K87 PolarHBondContact O-N 3Å |
| 86 | G | 95.2 | Very high | 97 | Very high | 53 Ų | 53 | 55.1 Ų | 55.1 | 55% | 0.546 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 26.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | W82 K83 A84 | W82-G86 PolarHBondContact O-N 3.18Å; K83-G86 PolarHBondContact O-N 2.82Å; K83-G86 VanDerWaalsContact O-N 3.16Å; A84-G86 PolarHBondContact O-N 2.96Å |
| 87 | K | 96.5 | Very high | 96.9 | Very high | 48 Ų | 48 | 52.7 Ų | 52.7 | 21% | 0.209 | 30% | 0.296 | C | S | . | . | trans | -70.5 | 142 | 174.4 | -54.6 | -55.5 | 178.8 | -159.6 | 0 | 110.3 | G51 V53 W82 D85 L126 | G51-K87 WeakPolarHBondContact O-CA 3.07Å; V53-K87 HydrophobicContact CG2-CB 4.01Å; V53-K87 HydrophobicContact CG2-CD 3.73Å; V53-K87 HydrophobicContact CG2-CG 3.58Å; W82-K87 HydrophobicContact CB-CB 3.98Å; W82-K87 HydrophobicContact CB-CG 3.79Å; W82-K87 HydrophobicContact CG-CG 4.24Å; W82-K87 VanDerWaalsContact O-CB 3.24Å; W82-K87 WeakPolarHBondContact O-CB 3.36Å; W82-K87 VanDerWaalsContact O-CG 3.23Å; W82-K87 WeakPolarHBondContact O-CG 3.29Å; W82-K87 PolarHBondContact O-N 2.79Å; D85-K87 VanDerWaalsContact C-N 3.31Å; D85-K87 HydrophobicContact CB-CG 4.25Å; D85-K87 PolarHBondContact O-N 3Å; K87-L126 HydrophobicContact CB-CD1 4.31Å; K87-L126 WeakPolarHBondContact O-CB 3.4Å | ||
| 88 | M | 95.5 | Very high | 96.9 | Very high | 72 Ų | 72 | 49 Ų | 49 | 36% | 0.355 | 28% | 0.275 | S | S | . | . | trans | -96.2 | -26.4 | -173.3 | -65.6 | -57.7 | -58.4 | 0 | 0 | 112.8 | G51 W125 L126 G127 | G51-M88 PolarHBondContact O-N 3.07Å; M88-W125 HydrophobicContact CB-CH2 4.07Å; M88-W125 HydrophobicContact CB-CZ3 3.99Å; M88-W125 HydrophobicContact CE-CH2 3.52Å; M88-W125 HydrophobicContact CE-CZ2 3.51Å; M88-W125 HydrophobicContact CE-CZ3 4.45Å; M88-W125 WeakPolarHBondContact O-CZ3 3.37Å; M88-L126 PolarHBondContact O-N 3.34Å; M88-G127 PolarHBondContact O-N 2.91Å | ||
| 89 | A | 97.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 51.9 Ų | 51.9 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 155.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112 | G52 V53 L124 W125 L133 | G52-A89 CarbonylContact C-O 3.53Å; G52-A89 WeakPolarHBondContact CA-O 3.46Å; V53-A89 PolarHBondContact N-O 3.31Å; A89-L124 CarbonylContact C-O 3.59Å; A89-L124 VanDerWaalsContact CA-O 3.29Å; A89-L124 WeakPolarHBondContact CA-O 3.39Å; A89-W125 HydrophobicContact CB-CE3 4.1Å; A89-W125 HydrophobicContact CB-CZ3 4.38Å; A89-L133 HydrophobicContact CB-CD1 4.28Å; A89-L133 HydrophobicContact CB-CD2 3.66Å; A89-L133 HydrophobicContact CB-CG 4.45Å |
| 90 | V | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 133.4 | 172.2 | -173 | 0 | 0 | 0 | 0 | 109.4 | V53 L79 W82 L92 F110 A123 L124 L126 | V53-V90 CarbonylContact O-C 3.58Å; V53-V90 WeakPolarHBondContact O-CA 3.25Å; L79-V90 HydrophobicContact CD2-CG2 4.02Å; W82-V90 HydrophobicContact CD2-CG2 4.33Å; W82-V90 HydrophobicContact CE3-CG1 4.04Å; W82-V90 HydrophobicContact CE3-CG2 3.61Å; W82-V90 HydrophobicContact CH2-CG1 4.18Å; W82-V90 HydrophobicContact CZ3-CG1 3.63Å; W82-V90 HydrophobicContact CZ3-CG2 4.07Å; V90-L92 HydrophobicContact CG1-CD2 4.27Å; V90-L92 HydrophobicContact CG1-CG 4.48Å; V90-F110 HydrophobicContact CB-CE1 3.97Å; V90-F110 HydrophobicContact CB-CZ 3.81Å; V90-F110 HydrophobicContact CG1-CE1 3.9Å; V90-F110 HydrophobicContact CG1-CZ 3.66Å; V90-A123 CarbonylContact O-C 3.51Å; V90-A123 WeakPolarHBondContact O-CA 3.2Å; V90-L124 PolarHBondContact N-O 2.95Å; V90-L124 PolarHBondContact O-N 3.33Å; V90-L126 HydrophobicContact CG2-CD1 3.62Å; V90-L126 HydrophobicContact CG2-CG 4.11Å |
| 91 | W | 98.4 | Very high | 96.8 | Very high | 34 Ų | 34 | 51.7 Ų | 51.7 | 13% | 0.129 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 125.5 | 175.1 | -55.3 | 95.4 | 0 | 0 | 0 | 108.7 | V53 T54 V55 H113 M121 L122 A123 L133 | V53-W91 PolarHBondContact O-N 3.41Å; T54-W91 WeakPolarHBondContact CA-O 3.29Å; T54-W91 HydrophobicContact CG2-CB 4.09Å; V55-W91 PolarHBondContact N-O 2.98Å; W91-H113 AromaticContact CH2-CD2 3.67Å; W91-H113 AromaticContact CH2-NE2 3.68Å; W91-H113 HydrophobicContact CZ3-CB 4.24Å; W91-H113 AromaticContact CZ3-CD2 3.32Å; W91-H113 WeakPolarHBondContact CZ3-CD2 3.47Å; W91-H113 AromaticContact CZ3-CG 3.76Å; W91-H113 AromaticContact CZ3-NE2 3.66Å; W91-M121 HydrophobicContact CB-SD 3.87Å; W91-M121 HydrophobicContact CE3-CG 3.94Å; W91-M121 HydrophobicContact CE3-SD 4.27Å; W91-M121 HydrophobicContact CZ3-CG 4.48Å; W91-L122 CarbonylContact C-O 3.56Å; W91-L122 WeakPolarHBondContact CA-O 3.34Å; W91-A123 HydrophobicContact CD2-CB 4.47Å; W91-A123 HydrophobicContact CE3-CB 3.73Å; W91-A123 HydrophobicContact CH2-CB 4.45Å; W91-A123 HydrophobicContact CZ3-CB 3.73Å; W91-L133 HydrophobicContact CH2-CB 4.35Å; W91-L133 HydrophobicContact CH2-CD1 4.29Å; W91-L133 HydrophobicContact CH2-CD2 4.26Å; W91-L133 HydrophobicContact CZ2-CD1 4.25Å; W91-L133 HydrophobicContact CZ2-CD2 3.64Å; W91-L133 HydrophobicContact CZ2-CG 4.37Å |
| 92 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 112.6 | 174.8 | -64.4 | 180 | 0 | 0 | 0 | 109.2 | V55 F71 L75 V90 V94 A105 F110 M121 L122 | V55-L92 HydrophobicContact CB-CD2 3.76Å; V55-L92 HydrophobicContact CG1-CD2 4.45Å; V55-L92 HydrophobicContact CG2-CD2 4.06Å; F71-L92 HydrophobicContact CZ-CD1 4.39Å; L75-L92 HydrophobicContact CD1-CD1 4.05Å; L75-L92 HydrophobicContact CD1-CD2 4.48Å; L75-L92 HydrophobicContact CD2-CD1 4.08Å; V90-L92 HydrophobicContact CG1-CD2 4.27Å; V90-L92 HydrophobicContact CG1-CG 4.48Å; L92-V94 HydrophobicContact CB-CG2 4.23Å; L92-A105 HydrophobicContact CD1-CB 3.76Å; L92-F110 HydrophobicContact CB-CE1 4.34Å; L92-F110 HydrophobicContact CD1-CD1 3.89Å; L92-F110 HydrophobicContact CD1-CD2 4.33Å; L92-F110 HydrophobicContact CD1-CE1 3.57Å; L92-F110 HydrophobicContact CD1-CE2 4.02Å; L92-F110 HydrophobicContact CD1-CG 4.26Å; L92-F110 HydrophobicContact CD1-CZ 3.62Å; L92-F110 HydrophobicContact CG-CD1 4.09Å; L92-F110 HydrophobicContact CG-CE1 3.5Å; L92-F110 VanDerWaalsContact CG-CE1 3.5Å; L92-F110 HydrophobicContact CG-CZ 3.84Å; L92-M121 WeakPolarHBondContact O-CA 3.43Å; L92-L122 HydrophobicContact CB-CB 4.36Å; L92-L122 PolarHBondContact N-O 2.94Å; L92-L122 PolarHBondContact O-N 2.92Å |
| 93 | Q | 98.4 | Very high | 97 | Very high | 44 Ų | 44 | 48.7 Ų | 48.7 | 21% | 0.206 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 111.7 | 167.2 | -169.3 | 178.8 | 27.6 | 0 | 0 | 108.6 | V55 N56 L57 H119 S120 M121 | V55-Q93 PolarHBondContact O-N 2.82Å; N56-Q93 VanDerWaalsContact CG-OE1 3.23Å; N56-Q93 PolarHBondContact ND2-OE1 3.41Å; L57-Q93 WeakPolarHBondContact CB-O 3.39Å; L57-Q93 PolarHBondContact N-O 2.86Å; Q93-H119 HydrophobicContact CG-CB 4.36Å; Q93-H119 PolarHBondContact NE2-CD2 3.5Å; Q93-H119 PolarHBondContact NE2-NE2 3.43Å; Q93-S120 CarbonylContact C-O 3.47Å; Q93-S120 WeakPolarHBondContact CA-O 3.36Å; Q93-M121 HydrophobicContact CB-CE 3.77Å; Q93-M121 HydrophobicContact CB-SD 4.27Å; Q93-M121 HydrophobicContact CG-CE 4.07Å |
| 94 | V | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 112.2 | -175.9 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | L57 L92 L98 C101 A102 H119 S120 L122 | L57-V94 HydrophobicContact CD1-CB 4.38Å; L57-V94 HydrophobicContact CD1-CG1 4.3Å; L57-V94 HydrophobicContact CD1-CG2 3.77Å; L57-V94 HydrophobicContact CG-CG2 4.44Å; L92-V94 HydrophobicContact CB-CG2 4.23Å; V94-L98 HydrophobicContact CG1-CB 4.25Å; V94-L98 WeakPolarHBondContact CG1-O 3.29Å; V94-C101 HydrophobicContact CG1-CB 4.32Å; V94-A102 HydrophobicContact CG1-CB 4.42Å; V94-H119 CarbonylContact O-C 3.54Å; V94-H119 VanDerWaalsContact O-CA 3.25Å; V94-H119 WeakPolarHBondContact O-CA 3.49Å; V94-H119 WeakPolarHBondContact O-CB 3.48Å; V94-S120 PolarHBondContact N-O 2.92Å; V94-S120 PolarHBondContact O-N 3Å; V94-L122 HydrophobicContact CB-CD1 4.05Å; V94-L122 HydrophobicContact CG2-CD1 3.37Å |
| 95 | P | 97.3 | Very high | 97.2 | Very high | 19 Ų | 19 | 38.1 Ų | 38.1 | 12% | 0.123 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 153.4 | 173 | 30.5 | -34.5 | 0 | 0 | 0 | 110.1 | A58 S97 L98 S99 D118 | A58-P95 HydrophobicContact CB-CG 4.2Å; P95-S97 PolarHBondContact O-N 2.87Å; P95-S97 VanDerWaalsContact O-N 3.13Å; P95-L98 HydrophobicContact CG-CB 3.99Å; P95-L98 HydrophobicContact CG-CD1 3.86Å; P95-L98 HydrophobicContact CG-CG 3.99Å; P95-L98 CarbonylContact O-C 3.36Å; P95-L98 WeakPolarHBondContact O-CA 3.32Å; P95-L98 PolarHBondContact O-N 2.84Å; P95-S99 PolarHBondContact O-N 3.25Å; P95-D118 CarbonylContact C-O 3.49Å |
| 96 | I | 96.7 | Very high | 97.4 | Very high | 116 Ų | 116 | 36.7 Ų | 36.7 | 60% | 0.595 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -57.7 | -32.3 | -176.3 | -166.3 | 168.4 | 0 | 0 | 0 | 112.1 | L98 S99 D118 | I96-L98 PolarHBondContact O-N 3.06Å; I96-S99 WeakPolarHBondContact O-CB 3.36Å; I96-S99 PolarHBondContact O-N 3.4Å; I96-S99 PolarHBondContact O-OG 3.44Å; I96-D118 VanDerWaalsContact CB-O 3.31Å; I96-D118 WeakPolarHBondContact CB-O 3.45Å; I96-D118 HydrophobicContact CG2-CB 4.21Å; I96-D118 PolarHBondContact N-O 3.29Å |
| 97 | S | 95.4 | Very high | 97.5 | Very high | 75 Ų | 75 | 39.1 Ų | 39.1 | 52% | 0.524 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -62.8 | -25 | 174.2 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | P95 | P95-S97 PolarHBondContact O-N 2.87Å; P95-S97 VanDerWaalsContact O-N 3.13Å |
| 98 | L | 96.8 | Very high | 97.6 | Very high | 8 Ų | 8 | 39.1 Ų | 39.1 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -110 | 24.5 | 178.8 | -63.8 | 179 | 0 | 0 | 0 | 112.4 | L57 I66 V94 P95 I96 R100 C101 | L57-L98 HydrophobicContact CB-CD1 3.97Å; I66-L98 HydrophobicContact CG2-CD2 4.32Å; V94-L98 HydrophobicContact CG1-CB 4.25Å; V94-L98 WeakPolarHBondContact CG1-O 3.29Å; P95-L98 HydrophobicContact CG-CB 3.99Å; P95-L98 HydrophobicContact CG-CD1 3.86Å; P95-L98 HydrophobicContact CG-CG 3.99Å; P95-L98 CarbonylContact O-C 3.36Å; P95-L98 WeakPolarHBondContact O-CA 3.32Å; P95-L98 PolarHBondContact O-N 2.84Å; I96-L98 PolarHBondContact O-N 3.06Å; L98-R100 PolarHBondContact O-N 3.06Å; L98-C101 VanDerWaalsContact O-CB 3.23Å; L98-C101 WeakPolarHBondContact O-CB 3.23Å; L98-C101 PolarHBondContact O-N 3.08Å |
| 99 | S | 96.5 | Very high | 97.7 | Very high | 64 Ų | 64 | 37.9 Ų | 37.9 | 45% | 0.448 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -52.9 | -28.5 | -177.7 | -65 | 0 | 0 | 0 | 0 | 114.4 | P95 I96 C101 A102 | P95-S99 PolarHBondContact O-N 3.25Å; I96-S99 WeakPolarHBondContact O-CB 3.36Å; I96-S99 PolarHBondContact O-N 3.4Å; I96-S99 PolarHBondContact O-OG 3.44Å; S99-C101 PolarHBondContact O-N 3.36Å; S99-A102 WeakPolarHBondContact O-CB 3.37Å; S99-A102 PolarHBondContact O-N 3.46Å |
| 100 | R | 96.4 | Very high | 97.7 | Very high | 114 Ų | 114 | 38.1 Ų | 38.1 | 43% | 0.43 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -56.8 | -32.1 | 171.6 | 64.5 | -175.6 | 65.2 | -156.8 | -1.6 | 113.6 | I66 E68 L98 A102 A103 A104 | I66-R100 WeakPolarHBondContact O-CD 3.49Å; E68-R100 HydrophobicContact CG-CB 4Å; L98-R100 PolarHBondContact O-N 3.06Å; R100-A102 PolarHBondContact O-N 3.15Å; R100-A103 WeakPolarHBondContact O-CB 3.47Å; R100-A103 PolarHBondContact O-N 2.89Å; R100-A103 VanDerWaalsContact O-N 3.16Å; R100-A104 PolarHBondContact O-N 3.38Å; R100-A104 VanDerWaalsContact O-N 3.12Å |
| 101 | C | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.7 | -26.5 | 175.8 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | L57 F71 V94 L98 S99 A105 | L57-C101 HydrophobicContact CD1-CB 3.67Å; F71-C101 HydrophobicContact CD1-CB 3.77Å; F71-C101 HydrophobicContact CD2-CB 4.29Å; F71-C101 HydrophobicContact CE1-CB 3.69Å; F71-C101 WeakPolarHBondContact CE1-O 3.4Å; F71-C101 HydrophobicContact CE2-CB 4.24Å; F71-C101 HydrophobicContact CG-CB 4.06Å; F71-C101 HydrophobicContact CZ-CB 3.94Å; V94-C101 HydrophobicContact CG1-CB 4.32Å; L98-C101 VanDerWaalsContact O-CB 3.23Å; L98-C101 WeakPolarHBondContact O-CB 3.23Å; L98-C101 PolarHBondContact O-N 3.08Å; S99-C101 PolarHBondContact O-N 3.36Å; C101-A105 VanDerWaalsContact O-CB 3.25Å; C101-A105 WeakPolarHBondContact O-CB 3.15Å; C101-A105 PolarHBondContact O-N 3.25Å |
| 102 | A | 98.2 | Very high | 97.6 | Very high | 12 Ų | 12 | 48.3 Ų | 48.3 | 10% | 0.099 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.5 | -39.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V94 S99 R100 A105 A106 L122 | V94-A102 HydrophobicContact CG1-CB 4.42Å; S99-A102 WeakPolarHBondContact O-CB 3.37Å; S99-A102 PolarHBondContact O-N 3.46Å; R100-A102 PolarHBondContact O-N 3.15Å; A102-A105 PolarHBondContact O-N 2.86Å; A102-A106 PolarHBondContact O-N 2.59Å; A102-L122 HydrophobicContact CB-CD1 4.09Å; A102-L122 HydrophobicContact CB-CD2 3.98Å |
| 103 | A | 97.9 | Very high | 97.6 | Very high | 48 Ų | 48 | 50.2 Ų | 50.2 | 40% | 0.397 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.2 | -47.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | R100 A105 A106 | R100-A103 WeakPolarHBondContact O-CB 3.47Å; R100-A103 PolarHBondContact O-N 2.89Å; R100-A103 VanDerWaalsContact O-N 3.16Å; A103-A105 PolarHBondContact O-N 3.42Å; A103-A106 WeakPolarHBondContact O-CB 3.32Å; A103-A106 PolarHBondContact O-N 3.11Å |
| 104 | A | 98.1 | Very high | 97.5 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 3% | 0.033 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E68 F71 R100 A106 T107 H108 | E68-A104 HydrophobicContact CB-CB 4.06Å; E68-A104 HydrophobicContact CG-CB 4.44Å; F71-A104 HydrophobicContact CD1-CB 3.75Å; F71-A104 HydrophobicContact CE1-CB 4.5Å; R100-A104 PolarHBondContact O-N 3.38Å; R100-A104 VanDerWaalsContact O-N 3.12Å; A104-A106 VanDerWaalsContact C-N 3.34Å; A104-A106 PolarHBondContact O-N 3.25Å; A104-T107 PolarHBondContact O-N 2.88Å; A104-T107 PolarHBondContact O-OG1 3.16Å; A104-H108 PolarHBondContact O-CD2 2.92Å; A104-H108 VanDerWaalsContact O-CD2 3.27Å |
| 105 | A | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65 | -37.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F71 L75 L92 C101 A102 A103 T107 H108 F110 L122 | F71-A105 HydrophobicContact CE1-CB 4.41Å; L75-A105 HydrophobicContact CD2-CB 3.86Å; L92-A105 HydrophobicContact CD1-CB 3.76Å; C101-A105 VanDerWaalsContact O-CB 3.25Å; C101-A105 WeakPolarHBondContact O-CB 3.15Å; C101-A105 PolarHBondContact O-N 3.25Å; A102-A105 PolarHBondContact O-N 2.86Å; A103-A105 PolarHBondContact O-N 3.42Å; A105-T107 PolarHBondContact O-N 3.02Å; A105-H108 WeakPolarHBondContact O-CA 3.45Å; A105-H108 PolarHBondContact O-N 3.26Å; A105-F110 HydrophobicContact CB-CB 4Å; A105-F110 HydrophobicContact CB-CD2 3.99Å; A105-F110 HydrophobicContact CB-CG 4Å; A105-F110 WeakPolarHBondContact O-CB 3.49Å; A105-F110 WeakPolarHBondContact O-CD2 3.48Å; A105-F110 PolarHBondContact O-N 3Å; A105-L122 HydrophobicContact CB-CD2 4.15Å |
| 106 | A | 98.4 | Very high | 97.1 | Very high | 54 Ų | 54 | 59 Ų | 59 | 45% | 0.446 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.7 | -31.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A102 A103 A104 H108 G109 | A102-A106 PolarHBondContact O-N 2.59Å; A103-A106 WeakPolarHBondContact O-CB 3.32Å; A103-A106 PolarHBondContact O-N 3.11Å; A104-A106 VanDerWaalsContact C-N 3.34Å; A104-A106 PolarHBondContact O-N 3.25Å; A106-H108 PolarHBondContact O-N 3.3Å; A106-G109 PolarHBondContact O-N 2.84Å |
| 107 | T | 98.1 | Very high | 97 | Very high | 105 Ų | 105 | 59.3 Ų | 59.3 | 64% | 0.644 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -16.3 | 175.3 | 72.9 | 0 | 0 | 0 | 0 | 113.3 | A104 A105 | A104-T107 PolarHBondContact O-N 2.88Å; A104-T107 PolarHBondContact O-OG1 3.16Å; A105-T107 PolarHBondContact O-N 3.02Å |
| 108 | H | 98 | Very high | 97 | Very high | 48 Ų | 48 | 60.2 Ų | 60.2 | 22% | 0.222 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 14.5 | 174.4 | -62.8 | -77.1 | 0 | 0 | 0 | 112.8 | S72 L75 L79 A104 A105 A106 F110 | S72-H108 PolarHBondContact O-NE2 3.11Å; S72-H108 PolarHBondContact OG-NE2 3.37Å; L75-H108 HydrophobicContact CD2-CB 4.37Å; L79-H108 HydrophobicContact CD1-CB 3.78Å; A104-H108 PolarHBondContact O-CD2 2.92Å; A104-H108 VanDerWaalsContact O-CD2 3.27Å; A105-H108 WeakPolarHBondContact O-CA 3.45Å; A105-H108 PolarHBondContact O-N 3.26Å; A106-H108 PolarHBondContact O-N 3.3Å; H108-F110 HydrophobicContact CB-CD2 4.28Å |
| 109 | G | 97.4 | Very high | 97 | Very high | 45 Ų | 45 | 61.9 Ų | 61.9 | 46% | 0.464 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 6.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A106 | A106-G109 PolarHBondContact O-N 2.84Š|
| 110 | F | 98.4 | Very high | 97.1 | Very high | 8 Ų | 8 | 59.8 Ų | 59.8 | 4% | 0.035 | 35% | 0.347 | C | S | . | . | trans | -64.4 | 139.9 | 171.9 | -78.6 | -97.8 | 0 | 0 | 0 | 110.9 | L75 L79 V90 L92 A105 H108 L122 A123 L124 | L75-F110 HydrophobicContact CD1-CE2 4Å; L75-F110 HydrophobicContact CD1-CZ 4.17Å; L75-F110 HydrophobicContact CD2-CD2 4.21Å; L75-F110 HydrophobicContact CD2-CE2 3.84Å; L75-F110 HydrophobicContact CG-CE2 4.27Å; L79-F110 HydrophobicContact CD1-CE2 4.26Å; L79-F110 HydrophobicContact CD2-CE2 4.08Å; L79-F110 HydrophobicContact CD2-CZ 4.18Å; V90-F110 HydrophobicContact CB-CE1 3.97Å; V90-F110 HydrophobicContact CB-CZ 3.81Å; V90-F110 HydrophobicContact CG1-CE1 3.9Å; V90-F110 HydrophobicContact CG1-CZ 3.66Å; L92-F110 HydrophobicContact CB-CE1 4.34Å; L92-F110 HydrophobicContact CD1-CD1 3.89Å; L92-F110 HydrophobicContact CD1-CD2 4.33Å; L92-F110 HydrophobicContact CD1-CE1 3.57Å; L92-F110 HydrophobicContact CD1-CE2 4.02Å; L92-F110 HydrophobicContact CD1-CG 4.26Å; L92-F110 HydrophobicContact CD1-CZ 3.62Å; L92-F110 HydrophobicContact CG-CD1 4.09Å; L92-F110 HydrophobicContact CG-CE1 3.5Å; L92-F110 VanDerWaalsContact CG-CE1 3.5Å; L92-F110 HydrophobicContact CG-CZ 3.84Å; A105-F110 HydrophobicContact CB-CB 4Å; A105-F110 HydrophobicContact CB-CD2 3.99Å; A105-F110 HydrophobicContact CB-CG 4Å; A105-F110 WeakPolarHBondContact O-CB 3.49Å; A105-F110 WeakPolarHBondContact O-CD2 3.48Å; A105-F110 PolarHBondContact O-N 3Å; H108-F110 HydrophobicContact CB-CD2 4.28Å; F110-L122 HydrophobicContact CB-CB 4.16Å; F110-L122 HydrophobicContact CB-CD2 4.1Å; F110-L122 HydrophobicContact CD1-CB 3.93Å; F110-L122 HydrophobicContact CG-CB 4.47Å; F110-A123 WeakPolarHBondContact CA-O 3.2Å; F110-L124 HydrophobicContact CD1-CB 3.68Å; F110-L124 HydrophobicContact CD2-CB 3.99Å; F110-L124 HydrophobicContact CD2-CD2 3.99Å; F110-L124 HydrophobicContact CE1-CB 3.55Å; F110-L124 HydrophobicContact CE2-CB 3.9Å; F110-L124 HydrophobicContact CE2-CD2 3.59Å; F110-L124 HydrophobicContact CE2-CG 4.39Å; F110-L124 HydrophobicContact CG-CB 3.9Å; F110-L124 HydrophobicContact CZ-CB 3.68Å; F110-L124 HydrophobicContact CZ-CD2 3.97Å | ||
| 111 | T | 97.8 | Very high | 97.2 | Very high | 92 Ų | 92 | 55.3 Ų | 55.3 | 56% | 0.564 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117 | 159.1 | 172.6 | 60.5 | 0 | 0 | 0 | 0 | 110.6 | H113 L122 A123 | T111-H113 PolarHBondContact O-N 3.39Å; T111-L122 CarbonylContact O-C 3.46Å; T111-L122 WeakPolarHBondContact O-CA 3.07Å; T111-L122 WeakPolarHBondContact O-CB 3.41Å; T111-A123 PolarHBondContact N-O 3.49Å; T111-A123 PolarHBondContact O-N 2.84Å |
| 112 | F | 97.4 | Very high | 97.2 | Very high | 156 Ų | 156 | 55.4 Ų | 55.4 | 68% | 0.684 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 132.3 | 171 | -67.3 | -52.4 | 0 | 0 | 0 | 110.3 | L122 | F112-L122 HydrophobicContact CD1-CD2 4.35Å; F112-L122 HydrophobicContact CD1-CG 4.09Å; F112-L122 HydrophobicContact CE1-CD2 4.29Å; F112-L122 HydrophobicContact CE1-CG 4.36Å |
| 113 | H | 97.2 | Very high | 97.2 | Very high | 40 Ų | 40 | 55.1 Ų | 55.1 | 19% | 0.185 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -50.3 | 168.9 | -175.7 | -71.7 | 0 | 0 | 0 | 111.1 | W91 T111 M121 A123 P134 F136 | W91-H113 AromaticContact CH2-CD2 3.67Å; W91-H113 AromaticContact CH2-NE2 3.68Å; W91-H113 HydrophobicContact CZ3-CB 4.24Å; W91-H113 AromaticContact CZ3-CD2 3.32Å; W91-H113 WeakPolarHBondContact CZ3-CD2 3.47Å; W91-H113 AromaticContact CZ3-CG 3.76Å; W91-H113 AromaticContact CZ3-NE2 3.66Å; T111-H113 PolarHBondContact O-N 3.39Å; H113-M121 HydrophobicContact CB-CG 4.41Å; H113-M121 WeakPolarHBondContact CB-O 3.37Å; H113-M121 PolarHBondContact N-O 2.93Å; H113-A123 HydrophobicContact CB-CB 4.24Å; H113-P134 PolarHBondContact NE2-O 3.26Å; H113-F136 AromaticContact CE1-CD2 3.72Å; H113-F136 AromaticContact ND1-CD2 3.79Å; H113-F136 WeakPolarHBondContact O-CB 3.47Å |
| 114 | H | 96.3 | Very high | 97.2 | Very high | 47 Ų | 47 | 54 Ų | 54 | 22% | 0.218 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 171.6 | 175.8 | 65.5 | -81.3 | 0 | 0 | 0 | 112 | M121 F136 | H114-M121 WeakPolarHBondContact CE1-CB 3.26Å; H114-M121 PolarHBondContact N-O 2.81Å; H114-M121 WeakPolarHBondContact ND1-CB 3.32Å; H114-M121 PolarHBondContact O-N 2.92Å; H114-F136 HydrophobicContact CB-CB 4.05Å; H114-F136 HydrophobicContact CB-CD1 3.43Å; H114-F136 VanDerWaalsContact CB-CD1 3.43Å; H114-F136 HydrophobicContact CB-CD2 3.47Å; H114-F136 VanDerWaalsContact CB-CD2 3.47Å; H114-F136 HydrophobicContact CB-CE1 3.61Å; H114-F136 HydrophobicContact CB-CE2 3.64Å; H114-F136 HydrophobicContact CB-CG 3.36Å; H114-F136 HydrophobicContact CB-CZ 3.7Å; H114-F136 AromaticContact CD2-CD2 3.94Å; H114-F136 AromaticContact CD2-CE2 3.33Å; H114-F136 WeakPolarHBondContact CD2-CE2 3.46Å; H114-F136 AromaticContact CD2-CZ 3.53Å; H114-F136 AromaticContact CE1-CE2 3.88Å; H114-F136 AromaticContact CG-CD2 3.42Å; H114-F136 VanDerWaalsContact CG-CD2 3.42Å; H114-F136 AromaticContact CG-CE2 3.32Å; H114-F136 AromaticContact CG-CG 3.89Å; H114-F136 AromaticContact CG-CZ 3.71Å; H114-F136 AromaticContact ND1-CD2 3.55Å; H114-F136 AromaticContact ND1-CE2 3.68Å; H114-F136 AromaticContact NE2-CE2 3.71Å |
| 115 | A | 95.6 | Very high | 97.2 | Very high | 73 Ų | 73 | 56.4 Ų | 56.4 | 60% | 0.603 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 148.5 | 168 | 0 | 0 | 0 | 0 | 0 | 109.8 | H119 | A115-H119 WeakPolarHBondContact CA-O 3.34Å |
| 116 | K | 92.7 | Very high | 97.1 | Very high | 128 Ų | 128 | 58 Ų | 58 | 56% | 0.557 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 121.3 | 174.7 | -174.9 | 179.2 | -179.5 | -179.1 | 0 | 108.6 | D118 H119 | K116-D118 PolarHBondContact O-N 3.17Å; K116-H119 PolarHBondContact N-O 3.26Å; K116-H119 PolarHBondContact O-CE1 3.42Å; K116-H119 PolarHBondContact O-N 3.19Å; K116-H119 VanDerWaalsContact O-N 3.12Å; K116-H119 PolarHBondContact O-ND1 3.21Å; K116-H119 VanDerWaalsContact O-ND1 3.15Å |
| 117 | S | 93.2 | Very high | 96.7 | Very high | 123 Ų | 123 | 56.2 Ų | 56.2 | 86% | 0.86 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | -97 | 176.6 | -56.1 | 0 | 0 | 0 | 0 | 113 | ||
| 118 | D | 95.4 | Very high | 96.3 | Very high | 95 Ų | 95 | 60.2 Ų | 60.2 | 51% | 0.508 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 12.5 | -170.5 | 67.2 | -18.6 | 0 | 0 | 0 | 113.7 | P95 I96 K116 | P95-D118 CarbonylContact C-O 3.49Å; I96-D118 VanDerWaalsContact CB-O 3.31Å; I96-D118 WeakPolarHBondContact CB-O 3.45Å; I96-D118 HydrophobicContact CG2-CB 4.21Å; I96-D118 PolarHBondContact N-O 3.29Å; K116-D118 PolarHBondContact O-N 3.17Å |
| 119 | H | 97.3 | Very high | 96 | Very high | 42 Ų | 42 | 61.3 Ų | 61.3 | 19% | 0.194 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 156.7 | 176.8 | 62.6 | -84 | 0 | 0 | 0 | 112.8 | Q93 V94 A115 K116 | Q93-H119 HydrophobicContact CG-CB 4.36Å; Q93-H119 PolarHBondContact NE2-CD2 3.5Å; Q93-H119 PolarHBondContact NE2-NE2 3.43Å; V94-H119 CarbonylContact O-C 3.54Å; V94-H119 VanDerWaalsContact O-CA 3.25Å; V94-H119 WeakPolarHBondContact O-CA 3.49Å; V94-H119 WeakPolarHBondContact O-CB 3.48Å; A115-H119 WeakPolarHBondContact CA-O 3.34Å; K116-H119 PolarHBondContact N-O 3.26Å; K116-H119 PolarHBondContact O-CE1 3.42Å; K116-H119 PolarHBondContact O-N 3.19Å; K116-H119 VanDerWaalsContact O-N 3.12Å; K116-H119 PolarHBondContact O-ND1 3.21Å; K116-H119 VanDerWaalsContact O-ND1 3.15Å |
| 120 | S | 97.9 | Very high | 95.7 | Very high | 20 Ų | 20 | 67.7 Ų | 67.7 | 14% | 0.14 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 152.4 | 169.3 | 63.5 | 0 | 0 | 0 | 0 | 110.8 | Q93 V94 | Q93-S120 CarbonylContact C-O 3.47Å; Q93-S120 WeakPolarHBondContact CA-O 3.36Å; V94-S120 PolarHBondContact N-O 2.92Å; V94-S120 PolarHBondContact O-N 3Å |
| 121 | M | 98.4 | Very high | 95.5 | Very high | 21 Ų | 21 | 70.6 Ų | 70.6 | 10% | 0.103 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 119.8 | 168.1 | -173.5 | 64 | 66.3 | 0 | 0 | 108 | W91 L92 Q93 H113 H114 | W91-M121 HydrophobicContact CB-SD 3.87Å; W91-M121 HydrophobicContact CE3-CG 3.94Å; W91-M121 HydrophobicContact CE3-SD 4.27Å; W91-M121 HydrophobicContact CZ3-CG 4.48Å; L92-M121 WeakPolarHBondContact O-CA 3.43Å; Q93-M121 HydrophobicContact CB-CE 3.77Å; Q93-M121 HydrophobicContact CB-SD 4.27Å; Q93-M121 HydrophobicContact CG-CE 4.07Å; H113-M121 HydrophobicContact CB-CG 4.41Å; H113-M121 WeakPolarHBondContact CB-O 3.37Å; H113-M121 PolarHBondContact N-O 2.93Å; H114-M121 WeakPolarHBondContact CE1-CB 3.26Å; H114-M121 PolarHBondContact N-O 2.81Å; H114-M121 WeakPolarHBondContact ND1-CB 3.32Å; H114-M121 PolarHBondContact O-N 2.92Å |
| 122 | L | 98.6 | Very high | 95.3 | Very high | 3 Ų | 3 | 76.1 Ų | 76.1 | 2% | 0.016 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 152 | 169.8 | -58.4 | 88.4 | 0 | 0 | 0 | 109.6 | W91 L92 V94 A102 A105 F110 T111 F112 | W91-L122 CarbonylContact C-O 3.56Å; W91-L122 WeakPolarHBondContact CA-O 3.34Å; L92-L122 HydrophobicContact CB-CB 4.36Å; L92-L122 PolarHBondContact N-O 2.94Å; L92-L122 PolarHBondContact O-N 2.92Å; V94-L122 HydrophobicContact CB-CD1 4.05Å; V94-L122 HydrophobicContact CG2-CD1 3.37Å; A102-L122 HydrophobicContact CB-CD1 4.09Å; A102-L122 HydrophobicContact CB-CD2 3.98Å; A105-L122 HydrophobicContact CB-CD2 4.15Å; F110-L122 HydrophobicContact CB-CB 4.16Å; F110-L122 HydrophobicContact CB-CD2 4.1Å; F110-L122 HydrophobicContact CD1-CB 3.93Å; F110-L122 HydrophobicContact CG-CB 4.47Å; T111-L122 CarbonylContact O-C 3.46Å; T111-L122 WeakPolarHBondContact O-CA 3.07Å; T111-L122 WeakPolarHBondContact O-CB 3.41Å; F112-L122 HydrophobicContact CD1-CD2 4.35Å; F112-L122 HydrophobicContact CD1-CG 4.09Å; F112-L122 HydrophobicContact CE1-CD2 4.29Å; F112-L122 HydrophobicContact CE1-CG 4.36Å |
| 123 | A | 98.3 | Very high | 95.1 | Very high | 5 Ų | 5 | 70.4 Ų | 70.4 | 4% | 0.041 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 145.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V90 W91 F110 T111 H113 L133 | V90-A123 CarbonylContact O-C 3.51Å; V90-A123 WeakPolarHBondContact O-CA 3.2Å; W91-A123 HydrophobicContact CD2-CB 4.47Å; W91-A123 HydrophobicContact CE3-CB 3.73Å; W91-A123 HydrophobicContact CH2-CB 4.45Å; W91-A123 HydrophobicContact CZ3-CB 3.73Å; F110-A123 WeakPolarHBondContact CA-O 3.2Å; T111-A123 PolarHBondContact N-O 3.49Å; T111-A123 PolarHBondContact O-N 2.84Å; H113-A123 HydrophobicContact CB-CB 4.24Å; A123-L133 HydrophobicContact CB-CD1 3.77Å |
| 124 | L | 98.3 | Very high | 94.8 | Very high | 26 Ų | 26 | 72.8 Ų | 72.8 | 14% | 0.136 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 127.1 | 170.2 | 175.9 | 63.7 | 0 | 0 | 0 | 109 | L79 A89 V90 F110 L126 | L79-L124 HydrophobicContact CD1-CD2 4.22Å; L79-L124 HydrophobicContact CD2-CD2 3.62Å; A89-L124 CarbonylContact C-O 3.59Å; A89-L124 VanDerWaalsContact CA-O 3.29Å; A89-L124 WeakPolarHBondContact CA-O 3.39Å; V90-L124 PolarHBondContact N-O 2.95Å; V90-L124 PolarHBondContact O-N 3.33Å; F110-L124 HydrophobicContact CD1-CB 3.68Å; F110-L124 HydrophobicContact CD2-CB 3.99Å; F110-L124 HydrophobicContact CD2-CD2 3.99Å; F110-L124 HydrophobicContact CE1-CB 3.55Å; F110-L124 HydrophobicContact CE2-CB 3.9Å; F110-L124 HydrophobicContact CE2-CD2 3.59Å; F110-L124 HydrophobicContact CE2-CG 4.39Å; F110-L124 HydrophobicContact CG-CB 3.9Å; F110-L124 HydrophobicContact CZ-CB 3.68Å; F110-L124 HydrophobicContact CZ-CD2 3.97Å; L124-L126 HydrophobicContact CD2-CD2 3.75Å; L124-L126 HydrophobicContact CG-CD2 3.98Å |
| 125 | W | 97.8 | Very high | 94.6 | Very high | 53 Ų | 53 | 73.7 Ų | 73.7 | 20% | 0.201 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 126.3 | 169.3 | -177.4 | -113.5 | 0 | 0 | 0 | 109.4 | M88 A89 G127 R132 L133 | M88-W125 HydrophobicContact CB-CH2 4.07Å; M88-W125 HydrophobicContact CB-CZ3 3.99Å; M88-W125 HydrophobicContact CE-CH2 3.52Å; M88-W125 HydrophobicContact CE-CZ2 3.51Å; M88-W125 HydrophobicContact CE-CZ3 4.45Å; M88-W125 WeakPolarHBondContact O-CZ3 3.37Å; A89-W125 HydrophobicContact CB-CE3 4.1Å; A89-W125 HydrophobicContact CB-CZ3 4.38Å; W125-G127 VanDerWaalsContact CD1-O 3.3Å; W125-G127 VanDerWaalsContact NE1-C 3.34Å; W125-G127 PolarHBondContact NE1-O 2.89Å; W125-R132 HydrophobicContact CH2-CB 4.12Å; W125-R132 HydrophobicContact CH2-CG 4.5Å; W125-R132 HydrophobicContact CZ2-CB 4.33Å; W125-R132 HydrophobicContact CZ2-CG 4.28Å; W125-R132 HydrophobicContact CZ3-CB 4.47Å; W125-L133 HydrophobicContact CE3-CD2 3.93Å; W125-L133 HydrophobicContact CE3-CG 3.92Å; W125-L133 HydrophobicContact CZ3-CD2 4.17Å |
| 126 | L | 96.3 | Very high | 94.4 | Very high | 33 Ų | 33 | 75.2 Ų | 75.2 | 17% | 0.173 | 42% | 0.417 | C | S | . | . | trans | -101.3 | -15.2 | 177.7 | -62.7 | -177 | 0 | 0 | 0 | 112.9 | L79 W82 K87 M88 V90 L124 | L79-L126 HydrophobicContact CD2-CD2 4.19Å; W82-L126 HydrophobicContact CB-CD1 4.19Å; K87-L126 HydrophobicContact CB-CD1 4.31Å; K87-L126 WeakPolarHBondContact O-CB 3.4Å; M88-L126 PolarHBondContact O-N 3.34Å; V90-L126 HydrophobicContact CG2-CD1 3.62Å; V90-L126 HydrophobicContact CG2-CG 4.11Å; L124-L126 HydrophobicContact CD2-CD2 3.75Å; L124-L126 HydrophobicContact CG-CD2 3.98Å | ||
| 127 | G | 90.8 | Very high | 94.3 | Very high | 18 Ų | 18 | 72.2 Ų | 72.2 | 19% | 0.186 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -68.8 | 168.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M88 W125 | M88-G127 PolarHBondContact O-N 2.91Å; W125-G127 VanDerWaalsContact CD1-O 3.3Å; W125-G127 VanDerWaalsContact NE1-C 3.34Å; W125-G127 PolarHBondContact NE1-O 2.89Å |
| 128 | E | 90 | Very high | 94.3 | Very high | 188 Ų | 188 | 70.3 Ų | 70.3 | 88% | 0.879 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -72.4 | 146.8 | 174.1 | -61.8 | -173.5 | 167.6 | 0 | 0 | 111.7 | ||
| 129 | G | 90.7 | Very high | 94.2 | Very high | 71 Ų | 71 | 68.7 Ų | 68.7 | 73% | 0.732 | 39% | 0.388 | S | S | * | . | S | Bend | trans | 74.6 | -157.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 130 | E | 92.3 | Very high | 94 | Very high | 180 Ų | 180 | 69.8 Ų | 69.8 | 84% | 0.841 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -63.9 | 142.8 | -179.3 | -67.6 | -173.2 | 163.4 | 0 | 0 | 112 | R132 | E130-R132 PolarHBondContact O-N 3.18Š|
| 131 | S | 93.9 | Very high | 93.9 | Very high | 69 Ų | 69 | 71.3 Ų | 71.3 | 48% | 0.483 | 40% | 0.402 | S | S | . | . | trans | -59.4 | 130.5 | 176.4 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | L133 | S131-L133 PolarHBondContact OG-N 3.32Š| ||
| 132 | R | 92.8 | Very high | 93.9 | Very high | 207 Ų | 207 | 70.3 Ų | 70.3 | 78% | 0.781 | 40% | 0.397 | S | S | * | . | trans | -101.6 | 12 | 173.7 | -58.4 | -177.7 | -173.2 | 173.9 | 3 | 112.6 | W125 E130 | W125-R132 HydrophobicContact CH2-CB 4.12Å; W125-R132 HydrophobicContact CH2-CG 4.5Å; W125-R132 HydrophobicContact CZ2-CB 4.33Å; W125-R132 HydrophobicContact CZ2-CG 4.28Å; W125-R132 HydrophobicContact CZ3-CB 4.47Å; E130-R132 PolarHBondContact O-N 3.18Å | ||
| 133 | L | 93.9 | Very high | 93.9 | Very high | 36 Ų | 36 | 70.1 Ų | 70.1 | 19% | 0.188 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 130.9 | 175.5 | -63.3 | -175.9 | 0 | 0 | 0 | 109 | A89 W91 A123 W125 S131 | A89-L133 HydrophobicContact CB-CD1 4.28Å; A89-L133 HydrophobicContact CB-CD2 3.66Å; A89-L133 HydrophobicContact CB-CG 4.45Å; W91-L133 HydrophobicContact CH2-CB 4.35Å; W91-L133 HydrophobicContact CH2-CD1 4.29Å; W91-L133 HydrophobicContact CH2-CD2 4.26Å; W91-L133 HydrophobicContact CZ2-CD1 4.25Å; W91-L133 HydrophobicContact CZ2-CD2 3.64Å; W91-L133 HydrophobicContact CZ2-CG 4.37Å; A123-L133 HydrophobicContact CB-CD1 3.77Å; W125-L133 HydrophobicContact CE3-CD2 3.93Å; W125-L133 HydrophobicContact CE3-CG 3.92Å; W125-L133 HydrophobicContact CZ3-CD2 4.17Å; S131-L133 PolarHBondContact OG-N 3.32Å |
| 134 | P | 90.8 | Very high | 93.9 | Very high | 91 Ų | 91 | 70 Ų | 70 | 59% | 0.591 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 146.6 | 174.9 | 28 | -33.9 | 0 | 0 | 0 | 109.1 | H113 | H113-P134 PolarHBondContact NE2-O 3.26Š|
| 135 | G | 91.3 | Very high | 93.9 | Very high | 66 Ų | 66 | 68.7 Ų | 68.7 | 68% | 0.68 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -67 | 167 | 167 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 136 | F | 92.8 | Very high | 94 | Very high | 105 Ų | 105 | 66.2 Ų | 66.2 | 46% | 0.461 | 38% | 0.378 | S | S | . | . | trans | -74.3 | -179.3 | 171.1 | -164.2 | -120.7 | 0 | 0 | 0 | 112.2 | H113 H114 T138 | H113-F136 AromaticContact CE1-CD2 3.72Å; H113-F136 AromaticContact ND1-CD2 3.79Å; H113-F136 WeakPolarHBondContact O-CB 3.47Å; H114-F136 HydrophobicContact CB-CB 4.05Å; H114-F136 HydrophobicContact CB-CD1 3.43Å; H114-F136 VanDerWaalsContact CB-CD1 3.43Å; H114-F136 HydrophobicContact CB-CD2 3.47Å; H114-F136 VanDerWaalsContact CB-CD2 3.47Å; H114-F136 HydrophobicContact CB-CE1 3.61Å; H114-F136 HydrophobicContact CB-CE2 3.64Å; H114-F136 HydrophobicContact CB-CG 3.36Å; H114-F136 HydrophobicContact CB-CZ 3.7Å; H114-F136 AromaticContact CD2-CD2 3.94Å; H114-F136 AromaticContact CD2-CE2 3.33Å; H114-F136 WeakPolarHBondContact CD2-CE2 3.46Å; H114-F136 AromaticContact CD2-CZ 3.53Å; H114-F136 AromaticContact CE1-CE2 3.88Å; H114-F136 AromaticContact CG-CD2 3.42Å; H114-F136 VanDerWaalsContact CG-CD2 3.42Å; H114-F136 AromaticContact CG-CE2 3.32Å; H114-F136 AromaticContact CG-CG 3.89Å; H114-F136 AromaticContact CG-CZ 3.71Å; H114-F136 AromaticContact ND1-CD2 3.55Å; H114-F136 AromaticContact ND1-CE2 3.68Å; H114-F136 AromaticContact NE2-CE2 3.71Å; F136-T138 WeakPolarHBondContact O-CG2 3.49Å; F136-T138 PolarHBondContact O-N 2.84Å | ||
| 137 | A | 90.6 | Very high | 94.1 | Very high | 65 Ų | 65 | 64.6 Ų | 64.6 | 54% | 0.537 | 37% | 0.37 | S | S | . | . | trans | -49.9 | 124.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 138 | T | 91.4 | Very high | 94.5 | Very high | 83 Ų | 83 | 63.8 Ų | 63.8 | 51% | 0.509 | 36% | 0.362 | S | S | . | . | trans | -101.5 | -15 | -173.9 | 54 | 0 | 0 | 0 | 0 | 113.9 | F136 S218 | F136-T138 WeakPolarHBondContact O-CG2 3.49Å; F136-T138 PolarHBondContact O-N 2.84Å; T138-S218 PolarHBondContact O-N 3.42Å | ||
| 139 | H | 93.8 | Very high | 94.9 | Very high | 61 Ų | 61 | 55.6 Ų | 55.6 | 28% | 0.282 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 137.5 | -176.6 | -66.2 | 72.6 | 0 | 0 | 0 | 111 | Q207 S218 M220 | H139-Q207 PolarHBondContact NE2-NE2 3.23Å; H139-S218 CarbonylContact C-O 3.57Å; H139-S218 WeakPolarHBondContact CA-O 3.29Å; H139-S218 WeakPolarHBondContact CD2-CB 3.41Å; H139-S218 VanDerWaalsContact NE2-CB 3.27Å; H139-S218 WeakPolarHBondContact NE2-CB 3.31Å; H139-M220 HydrophobicContact CB-CG 4.28Å |
| 140 | Q | 93.8 | Very high | 95.2 | Very high | 64 Ų | 64 | 56.7 Ų | 56.7 | 30% | 0.299 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 149.1 | 155.8 | -67.7 | -178.4 | -25 | 0 | 0 | 109 | L174 S218 M220 | Q140-L174 HydrophobicContact CB-CD2 4.4Å; Q140-S218 PolarHBondContact N-O 3.4Å; Q140-M220 PolarHBondContact O-N 3.27Å |
| 141 | V | 96.2 | Very high | 95.5 | Very high | 52 Ų | 52 | 52.9 Ų | 52.9 | 32% | 0.315 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 116.2 | 179 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | V143 S175 M220 L222 | V141-V143 HydrophobicContact CG1-CG2 4.29Å; V141-S175 PolarHBondContact O-N 2.81Å; V141-M220 CarbonylContact C-O 3.55Å; V141-M220 WeakPolarHBondContact CA-O 3.39Å; V141-L222 HydrophobicContact CG1-CD1 3.5Å; V141-L222 VanDerWaalsContact CG1-CD1 3.5Å |
| 142 | G | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 150.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | G173 M220 Y221 L222 | G142-G173 CarbonylContact C-O 3.54Å; G142-G173 WeakPolarHBondContact CA-O 3.05Å; G142-M220 PolarHBondContact N-O 2.93Å; G142-Y221 CarbonylContact O-C 3.57Å; G142-Y221 VanDerWaalsContact O-CA 3.3Å; G142-Y221 WeakPolarHBondContact O-CA 3.31Å; G142-L222 PolarHBondContact O-N 3.28Å |
| 143 | V | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 133.7 | 179.2 | -166.8 | 0 | 0 | 0 | 0 | 110.6 | V141 G172 G173 I181 T184 A185 L222 | V141-V143 HydrophobicContact CG1-CG2 4.29Å; V143-G172 CarbonylContact O-C 3.55Å; V143-G172 WeakPolarHBondContact O-CA 3.45Å; V143-G173 PolarHBondContact N-O 3.38Å; V143-G173 PolarHBondContact O-N 2.65Å; V143-G173 VanDerWaalsContact O-N 3.14Å; V143-I181 HydrophobicContact CG1-CG2 3.85Å; V143-I181 HydrophobicContact CG2-CG2 4.1Å; V143-T184 HydrophobicContact CB-CG2 3.75Å; V143-T184 HydrophobicContact CG2-CG2 3.76Å; V143-A185 HydrophobicContact CG1-CB 3.72Å; V143-L222 CarbonylContact C-O 3.6Å; V143-L222 VanDerWaalsContact CA-O 3.27Å; V143-L222 WeakPolarHBondContact CA-O 3.47Å; V143-L222 HydrophobicContact CG1-CB 4.34Å; V143-L222 HydrophobicContact CG2-CB 4.46Å |
| 144 | A | 98.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 149.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F170 P171 Y221 L222 I223 C224 | A144-F170 HydrophobicContact CB-CB 4.03Å; A144-P171 CarbonylContact C-O 3.5Å; A144-P171 VanDerWaalsContact CA-O 3.28Å; A144-P171 WeakPolarHBondContact CA-O 3.28Å; A144-Y221 HydrophobicContact CB-CE1 3.56Å; A144-Y221 WeakPolarHBondContact CB-OH 3.18Å; A144-L222 PolarHBondContact N-O 3.2Å; A144-I223 HydrophobicContact CB-CG1 4.33Å; A144-I223 HydrophobicContact CB-CG2 4.39Å; A144-C224 PolarHBondContact O-N 3.01Å |
| 145 | G | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 108 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V147 P171 | G145-V147 PolarHBondContact O-N 3.47Å; G145-P171 PolarHBondContact N-O 2.84Å |
| 146 | A | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 89.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109 | L148 V155 F170 L203 C224 L226 L268 | A146-L148 PolarHBondContact O-N 3.48Å; A146-V155 HydrophobicContact CB-CG2 4.38Å; A146-F170 HydrophobicContact CB-CD1 3.88Å; A146-F170 HydrophobicContact CB-CD2 4.26Å; A146-F170 HydrophobicContact CB-CE1 3.91Å; A146-F170 HydrophobicContact CB-CE2 4.27Å; A146-F170 HydrophobicContact CB-CG 4.07Å; A146-F170 HydrophobicContact CB-CZ 4.1Å; A146-L203 HydrophobicContact CB-CD1 4.39Å; A146-C224 PolarHBondContact N-O 3.09Å; A146-L226 PolarHBondContact O-N 2.99Å; A146-L268 HydrophobicContact CB-CD1 4.06Å |
| 147 | V | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 105.9 | 178.4 | -166 | 0 | 0 | 0 | 0 | 108.8 | G145 V155 L156 V189 L226 P228 W245 | G145-V147 PolarHBondContact O-N 3.47Å; V147-V155 VanDerWaalsContact O-CA 3.29Å; V147-V155 WeakPolarHBondContact O-CA 3.46Å; V147-V155 WeakPolarHBondContact O-CG2 3.31Å; V147-L156 HydrophobicContact CB-CB 3.85Å; V147-L156 HydrophobicContact CB-CD2 4.33Å; V147-L156 HydrophobicContact CG2-CB 4.28Å; V147-L156 HydrophobicContact CG2-CD2 4.07Å; V147-L156 PolarHBondContact O-N 3.26Å; V147-V189 HydrophobicContact CG2-CB 4.3Å; V147-V189 HydrophobicContact CG2-CG1 3.5Å; V147-V189 HydrophobicContact CG2-CG2 3.76Å; V147-L226 WeakPolarHBondContact CA-O 3.35Å; V147-L226 HydrophobicContact CG2-CB 4.24Å; V147-L226 HydrophobicContact CG2-CD1 4.04Å; V147-P228 HydrophobicContact CG1-CB 3.89Å; V147-P228 HydrophobicContact CG1-CG 4.37Å; V147-W245 HydrophobicContact CB-CH2 4.25Å; V147-W245 HydrophobicContact CG1-CH2 3.77Å; V147-W245 HydrophobicContact CG1-CZ3 4.38Å; V147-W245 WeakPolarHBondContact O-CZ3 3.37Å |
| 148 | L | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 120.9 | -176.1 | 179.3 | 66.1 | 0 | 0 | 0 | 110.6 | A146 E150 V155 L226 P228 V248 L268 L272 F276 | A146-L148 PolarHBondContact O-N 3.48Å; L148-E150 HydrophobicContact CD2-CG 4.1Å; L148-E150 HydrophobicContact CG-CG 4.2Å; L148-E150 PolarHBondContact O-N 2.85Å; L148-V155 HydrophobicContact CD1-CB 4.3Å; L148-L226 PolarHBondContact N-O 3.15Å; L148-P228 WeakPolarHBondContact O-CD 3.36Å; L148-V248 HydrophobicContact CD1-CG2 3.5Å; L148-V248 VanDerWaalsContact CD1-CG2 3.5Å; L148-L268 HydrophobicContact CD2-CD2 4.23Å; L148-L272 HydrophobicContact CD1-CD1 4.35Å; L148-L272 HydrophobicContact CD2-CD2 4.1Å; L148-L272 HydrophobicContact CD2-CG 4.23Å; L148-F276 HydrophobicContact CD2-CE1 3.65Å; L148-F276 HydrophobicContact CD2-CE2 4.48Å; L148-F276 HydrophobicContact CD2-CZ 3.38Å |
| 149 | D | 98.6 | Very high | 97.7 | Very high | 15 Ų | 15 | 28.1 Ų | 28.1 | 8% | 0.08 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 98.9 | 162.6 | 180 | 6 | 0 | 0 | 0 | 109.2 | S151 T152 G153 K154 P228 Y231 W245 | D149-S151 PolarHBondContact O-N 3.44Å; D149-S151 WeakPolarHBondContact OD1-CB 3.42Å; D149-S151 PolarHBondContact OD1-N 3.41Å; D149-S151 PolarHBondContact OD1-OG 2.86Å; D149-S151 PolarHBondContact OD2-OG 3.36Å; D149-T152 WeakPolarHBondContact CB-OG1 3.46Å; D149-T152 PolarHBondContact O-N 2.86Å; D149-T152 VanDerWaalsContact OD2-CG2 3.25Å; D149-T152 WeakPolarHBondContact OD2-CG2 3.24Å; D149-T152 PolarHBondContact OD2-OG1 2.94Å; D149-G153 PolarHBondContact O-N 3.38Å; D149-K154 PolarHBondContact N-O 3.05Å; D149-K154 PolarHBondContact O-N 3.47Å; D149-P228 HydrophobicContact CB-CG 4.12Å; D149-Y231 HydrophobicContact CB-CE1 4.3Å; D149-W245 HydrophobicContact CB-CZ3 4.3Å |
| 150 | E | 98 | Very high | 97.4 | Very high | 94 Ų | 94 | 26.4 Ų | 26.4 | 44% | 0.439 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -25.7 | -178.5 | -60.4 | 179 | -162.9 | 0 | 0 | 112.4 | L148 R225 L272 F276 | L148-E150 HydrophobicContact CD2-CG 4.1Å; L148-E150 HydrophobicContact CG-CG 4.2Å; L148-E150 PolarHBondContact O-N 2.85Å; E150-R225 IonicContact OE1-CZ 3.62Å; E150-R225 IonicContact OE1-NH1 2.82Å; E150-R225 PolarHBondContact OE1-NH1 3.14Å; E150-L272 HydrophobicContact CB-CD2 4.39Å; E150-F276 HydrophobicContact CG-CE2 3.65Å; E150-F276 HydrophobicContact CG-CZ 3.93Å; E150-F276 WeakPolarHBondContact OE1-CE2 3.39Å; E150-F276 WeakPolarHBondContact OE2-CE2 3.22Å |
| 151 | S | 97.4 | Very high | 96.9 | Very high | 100 Ų | 100 | 28.5 Ų | 28.5 | 70% | 0.699 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -30.2 | -178.3 | 73.6 | 0 | 0 | 0 | 0 | 113.3 | D149 | D149-S151 PolarHBondContact O-N 3.44Å; D149-S151 WeakPolarHBondContact OD1-CB 3.42Å; D149-S151 PolarHBondContact OD1-N 3.41Å; D149-S151 PolarHBondContact OD1-OG 2.86Å; D149-S151 PolarHBondContact OD2-OG 3.36Å |
| 152 | T | 97.9 | Very high | 95.7 | Very high | 76 Ų | 76 | 32.8 Ų | 32.8 | 47% | 0.466 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -10.6 | -178.6 | 61.2 | 0 | 0 | 0 | 0 | 113 | D149 K154 | D149-T152 WeakPolarHBondContact CB-OG1 3.46Å; D149-T152 PolarHBondContact O-N 2.86Å; D149-T152 VanDerWaalsContact OD2-CG2 3.25Å; D149-T152 WeakPolarHBondContact OD2-CG2 3.24Å; D149-T152 PolarHBondContact OD2-OG1 2.94Å; T152-K154 PolarHBondContact O-N 3.01Å |
| 153 | G | 98.3 | Very high | 94.3 | Very high | 19 Ų | 19 | 38.7 Ų | 38.7 | 20% | 0.196 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 23.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D149 V248 | D149-G153 PolarHBondContact O-N 3.38Å; G153-V248 WeakPolarHBondContact O-CG2 3.18Å; G153-V248 PolarHBondContact O-N 2.89Å |
| 154 | K | 98.8 | Very high | 92.4 | Very high | 93 Ų | 93 | 46 Ų | 46 | 40% | 0.404 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 144.7 | -179.6 | -64.2 | -174.2 | 178.7 | -171.6 | 0 | 111.9 | D149 T152 W245 L246 | D149-K154 PolarHBondContact N-O 3.05Å; D149-K154 PolarHBondContact O-N 3.47Å; T152-K154 PolarHBondContact O-N 3.01Å; K154-W245 HydrophobicContact CB-CB 4.27Å; K154-W245 HydrophobicContact CB-CE3 4.32Å; K154-W245 HydrophobicContact CD-CB 4.1Å; K154-L246 CarbonylContact C-O 3.37Å; K154-L246 WeakPolarHBondContact CA-O 3.3Å |
| 155 | V | 98.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 140.7 | 178.9 | 65 | 0 | 0 | 0 | 0 | 110.6 | A146 V147 L148 V157 F170 L246 V248 L251 L268 | A146-V155 HydrophobicContact CB-CG2 4.38Å; V147-V155 VanDerWaalsContact O-CA 3.29Å; V147-V155 WeakPolarHBondContact O-CA 3.46Å; V147-V155 WeakPolarHBondContact O-CG2 3.31Å; L148-V155 HydrophobicContact CD1-CB 4.3Å; V155-V157 HydrophobicContact CG1-CG1 4.27Å; V155-V157 PolarHBondContact O-N 2.83Å; V155-F170 HydrophobicContact CG1-CE1 4.37Å; V155-F170 HydrophobicContact CG2-CD1 4.12Å; V155-F170 HydrophobicContact CG2-CE1 3.65Å; V155-L246 PolarHBondContact N-O 3.31Å; V155-L246 PolarHBondContact O-N 3.1Å; V155-V248 HydrophobicContact CB-CG2 3.89Å; V155-V248 HydrophobicContact CG1-CG2 3.86Å; V155-L251 HydrophobicContact CG1-CD2 3.61Å; V155-L268 HydrophobicContact CG2-CD1 4.18Å |
| 156 | L | 98.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 125.5 | 178.2 | -167.6 | 66.1 | 0 | 0 | 0 | 110.2 | V147 V189 T193 V195 I233 W245 | V147-L156 HydrophobicContact CB-CB 3.85Å; V147-L156 HydrophobicContact CB-CD2 4.33Å; V147-L156 HydrophobicContact CG2-CB 4.28Å; V147-L156 HydrophobicContact CG2-CD2 4.07Å; V147-L156 PolarHBondContact O-N 3.26Å; L156-V189 HydrophobicContact CD2-CG1 4.32Å; L156-T193 HydrophobicContact CD2-CG2 3.76Å; L156-T193 WeakPolarHBondContact CD2-OG1 3.27Å; L156-T193 HydrophobicContact CG-CG2 4.28Å; L156-V195 HydrophobicContact CD1-CG2 4.34Å; L156-V195 HydrophobicContact CD2-CB 3.81Å; L156-V195 HydrophobicContact CD2-CG1 4.18Å; L156-V195 HydrophobicContact CD2-CG2 3.76Å; L156-I233 HydrophobicContact CD1-CD1 3.75Å; L156-I233 HydrophobicContact CD1-CG1 4.07Å; L156-W245 HydrophobicContact CB-CD2 4.46Å; L156-W245 HydrophobicContact CB-CE3 4.06Å; L156-W245 HydrophobicContact CB-CH2 3.95Å; L156-W245 HydrophobicContact CB-CZ2 4.37Å; L156-W245 HydrophobicContact CB-CZ3 3.8Å; L156-W245 HydrophobicContact CD1-CD2 4.02Å; L156-W245 HydrophobicContact CD1-CE3 4.46Å; L156-W245 HydrophobicContact CD1-CG 4.42Å; L156-W245 HydrophobicContact CD1-CH2 4.5Å; L156-W245 HydrophobicContact CD1-CZ2 4.08Å |
| 157 | V | 98.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 154.9 | 179 | -68.3 | 0 | 0 | 0 | 0 | 111.1 | V155 W168 K169 F170 C243 E244 L246 L251 | V155-V157 HydrophobicContact CG1-CG1 4.27Å; V155-V157 PolarHBondContact O-N 2.83Å; V157-W168 HydrophobicContact CB-CB 4.38Å; V157-W168 HydrophobicContact CB-CD2 4.44Å; V157-W168 HydrophobicContact CB-CE3 3.83Å; V157-W168 HydrophobicContact CG2-CD2 3.89Å; V157-W168 HydrophobicContact CG2-CE3 3.4Å; V157-W168 VanDerWaalsContact CG2-CE3 3.4Å; V157-W168 HydrophobicContact CG2-CG 4.39Å; V157-W168 HydrophobicContact CG2-CZ3 3.9Å; V157-K169 CarbonylContact C-O 3.59Å; V157-K169 VanDerWaalsContact CA-O 3.29Å; V157-K169 WeakPolarHBondContact CA-O 3.32Å; V157-K169 WeakPolarHBondContact CB-O 3.42Å; V157-F170 HydrophobicContact CG1-CD1 4.36Å; V157-F170 HydrophobicContact CG1-CE1 4.4Å; V157-C243 CarbonylContact O-C 3.56Å; V157-C243 VanDerWaalsContact O-CA 3.3Å; V157-C243 WeakPolarHBondContact O-CA 3.29Å; V157-E244 WeakPolarHBondContact CG2-O 3.36Å; V157-E244 PolarHBondContact N-O 2.82Å; V157-E244 PolarHBondContact O-N 3.5Å; V157-L246 HydrophobicContact CG2-CB 3.73Å; V157-L246 HydrophobicContact CG2-CD2 4.32Å; V157-L251 HydrophobicContact CG1-CD1 4.21Å; V157-L251 HydrophobicContact CG1-CD2 3.66Å |
| 158 | V | 97.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 157.8 | 177.4 | -61.8 | 0 | 0 | 0 | 0 | 110.7 | W168 K169 P171 E192 T193 R242 C243 | V158-W168 WeakPolarHBondContact O-CA 3.3Å; V158-K169 HydrophobicContact CG2-CD 4.26Å; V158-K169 VanDerWaalsContact CG2-CE 3.4Å; V158-K169 HydrophobicContact CG2-CG 3.69Å; V158-K169 PolarHBondContact N-O 3.05Å; V158-K169 PolarHBondContact O-N 2.92Å; V158-P171 HydrophobicContact CG1-CB 4.28Å; V158-P171 HydrophobicContact CG2-CB 4.43Å; V158-E192 WeakPolarHBondContact CG2-OE2 3.37Å; V158-T193 HydrophobicContact CG1-CG2 3.73Å; V158-R242 CarbonylContact C-O 3.51Å; V158-R242 VanDerWaalsContact CA-O 3.28Å; V158-R242 WeakPolarHBondContact CA-O 3.46Å; V158-C243 HydrophobicContact CG1-CB 4.06Å |
| 159 | Q | 95.3 | Very high | 89.7 | Confident | 15 Ų | 15 | 62.1 Ų | 62.1 | 7% | 0.07 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 128.7 | 164.2 | -75.7 | 176.7 | -12.1 | 0 | 0 | 109.1 | N166 W168 C240 L241 R242 | Q159-N166 PolarHBondContact NE2-O 3.31Å; Q159-W168 HydrophobicContact CB-CZ3 4.47Å; Q159-W168 HydrophobicContact CG-CD2 3.81Å; Q159-W168 HydrophobicContact CG-CE3 3.53Å; Q159-W168 HydrophobicContact CG-CG 4.46Å; Q159-W168 HydrophobicContact CG-CH2 4.19Å; Q159-W168 HydrophobicContact CG-CZ2 4.45Å; Q159-W168 HydrophobicContact CG-CZ3 3.73Å; Q159-W168 VanDerWaalsContact NE2-CE2 3.3Å; Q159-C240 CarbonylContact O-C 3.44Å; Q159-C240 WeakPolarHBondContact O-CA 3.24Å; Q159-L241 HydrophobicContact CB-CB 4.47Å; Q159-L241 PolarHBondContact O-N 2.88Å; Q159-R242 HydrophobicContact CB-CB 4.38Å; Q159-R242 PolarHBondContact N-O 2.76Å |
| 160 | D | 89 | Confident | 89.7 | Confident | 24 Ų | 24 | 61.8 Ų | 61.8 | 13% | 0.128 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 137.8 | 177.4 | -73 | -26.8 | 0 | 0 | 0 | 111.2 | K163 K169 | D160-K163 HydrophobicContact CB-CB 4.17Å; D160-K163 HydrophobicContact CB-CD 4.08Å; D160-K163 HydrophobicContact CB-CG 3.94Å; D160-K163 WeakPolarHBondContact OD2-CD 3.4Å; D160-K163 VanDerWaalsContact OD2-CE 3.23Å; D160-K163 WeakPolarHBondContact OD2-CE 3.36Å; D160-K163 IonicContact OD2-NZ 2.76Å; D160-K163 PolarHBondContact OD2-NZ 3.41Å; D160-K169 VanDerWaalsContact CG-NZ 3.26Å; D160-K169 WeakPolarHBondContact OD1-CE 3.44Å; D160-K169 IonicContact OD1-NZ 3.17Å; D160-K169 PolarHBondContact OD1-NZ 2.72Å; D160-K169 IonicContact OD2-NZ 3.68Å; D160-K169 PolarHBondContact OD2-NZ 2.77Å |
| 161 | K | 82.3 | Confident | 89.7 | Confident | 109 Ų | 109 | 57.3 Ų | 57.3 | 47% | 0.474 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -33.1 | 175.6 | -169.9 | 177.3 | -173.7 | 175.7 | 0 | 113.4 | P237 E239 L241 | K161-P237 WeakPolarHBondContact CD-O 3.47Å; K161-P237 PolarHBondContact NZ-O 2.93Å; K161-E239 WeakPolarHBondContact CB-O 3.48Å; K161-E239 PolarHBondContact N-O 2.87Å; K161-L241 HydrophobicContact CB-CB 4.47Å |
| 162 | N | 70.3 | Confident | 89.7 | Confident | 142 Ų | 142 | 53 Ų | 53 | 76% | 0.759 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 17.8 | -169.3 | -63.4 | -32 | 0 | 0 | 0 | 113.8 | ||
| 163 | K | 68.7 | Low | 89.6 | Confident | 124 Ų | 124 | 50.2 Ų | 50.2 | 54% | 0.539 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -109.7 | 144.9 | 177.9 | -73.8 | -168.7 | 177.9 | 149.9 | 0 | 112 | D160 K165 | D160-K163 HydrophobicContact CB-CB 4.17Å; D160-K163 HydrophobicContact CB-CD 4.08Å; D160-K163 HydrophobicContact CB-CG 3.94Å; D160-K163 WeakPolarHBondContact OD2-CD 3.4Å; D160-K163 VanDerWaalsContact OD2-CE 3.23Å; D160-K163 WeakPolarHBondContact OD2-CE 3.36Å; D160-K163 IonicContact OD2-NZ 2.76Å; D160-K163 PolarHBondContact OD2-NZ 3.41Å; K163-K165 PolarHBondContact O-N 3.2Å |
| 164 | T | 58.3 | Low | 89.5 | Confident | 154 Ų | 154 | 53.7 Ų | 53.7 | 95% | 0.945 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -67.4 | -14.8 | 179.7 | 52.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 165 | K | 72.9 | Confident | 89.5 | Confident | 170 Ų | 170 | 50.9 Ų | 50.9 | 74% | 0.739 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -126.8 | 125.4 | 173.9 | -72.6 | -173.5 | 175.7 | -176.4 | 0 | 110.2 | K163 A167 | K163-K165 PolarHBondContact O-N 3.2Å; K165-A167 PolarHBondContact O-N 3.14Å |
| 166 | N | 79.1 | Confident | 89.3 | Confident | 86 Ų | 86 | 55.3 Ų | 55.3 | 46% | 0.46 | 29% | 0.291 | S | S | . | . | trans | -76 | 72.8 | 173.1 | -64.2 | -20 | 0 | 0 | 0 | 110 | Q159 | Q159-N166 PolarHBondContact NE2-O 3.31Š| ||
| 167 | A | 92.8 | Very high | 89.1 | Confident | 27 Ų | 27 | 61.1 Ų | 61.1 | 22% | 0.223 | 33% | 0.329 | C | S | . | . | trans | -97.4 | 131.9 | 177 | 0 | 0 | 0 | 0 | 0 | 110.3 | K165 K169 S256 T258 | K165-A167 PolarHBondContact O-N 3.14Å; A167-K169 PolarHBondContact O-N 2.88Å; A167-S256 CarbonylContact C-O 3.55Å; A167-S256 WeakPolarHBondContact CA-O 3.47Å; A167-T258 HydrophobicContact CB-CG2 4.32Å | ||
| 168 | W | 96.8 | Very high | 88.8 | Confident | 21 Ų | 21 | 65.1 Ų | 65.1 | 8% | 0.08 | 37% | 0.37 | C | S | . | . | B | Isolated β-bridge | trans | -61.6 | 133.5 | 171.3 | -66.3 | 117.3 | 0 | 0 | 0 | 110.6 | V157 V158 Q159 R242 E244 L246 L251 S256 T257 | V157-W168 HydrophobicContact CB-CB 4.38Å; V157-W168 HydrophobicContact CB-CD2 4.44Å; V157-W168 HydrophobicContact CB-CE3 3.83Å; V157-W168 HydrophobicContact CG2-CD2 3.89Å; V157-W168 HydrophobicContact CG2-CE3 3.4Å; V157-W168 VanDerWaalsContact CG2-CE3 3.4Å; V157-W168 HydrophobicContact CG2-CG 4.39Å; V157-W168 HydrophobicContact CG2-CZ3 3.9Å; V158-W168 WeakPolarHBondContact O-CA 3.3Å; Q159-W168 HydrophobicContact CB-CZ3 4.47Å; Q159-W168 HydrophobicContact CG-CD2 3.81Å; Q159-W168 HydrophobicContact CG-CE3 3.53Å; Q159-W168 HydrophobicContact CG-CG 4.46Å; Q159-W168 HydrophobicContact CG-CH2 4.19Å; Q159-W168 HydrophobicContact CG-CZ2 4.45Å; Q159-W168 HydrophobicContact CG-CZ3 3.73Å; Q159-W168 VanDerWaalsContact NE2-CE2 3.3Å; W168-R242 HydrophobicContact CH2-CB 3.79Å; W168-R242 HydrophobicContact CZ3-CB 4.03Å; W168-E244 HydrophobicContact CH2-CB 4.1Å; W168-E244 HydrophobicContact CH2-CG 3.91Å; W168-E244 HydrophobicContact CZ3-CB 4.35Å; W168-E244 HydrophobicContact CZ3-CG 4.46Å; W168-L246 HydrophobicContact CG-CD2 4.46Å; W168-L251 HydrophobicContact CB-CD1 3.88Å; W168-S256 VanDerWaalsContact CD1-O 3.29Å; W168-S256 PolarHBondContact N-O 2.83Å; W168-T257 PolarHBondContact O-OG1 3.19Å |
| 169 | K | 96.7 | Very high | 88.8 | Confident | 35 Ų | 35 | 67.3 Ų | 67.3 | 15% | 0.152 | 38% | 0.38 | C | S | . | . | B | Isolated β-bridge | trans | -139.1 | 167.5 | 173.2 | 64.7 | 168.1 | -159.4 | 173.7 | 0 | 109.7 | V157 V158 D160 A167 | V157-K169 CarbonylContact C-O 3.59Å; V157-K169 VanDerWaalsContact CA-O 3.29Å; V157-K169 WeakPolarHBondContact CA-O 3.32Å; V157-K169 WeakPolarHBondContact CB-O 3.42Å; V158-K169 HydrophobicContact CG2-CD 4.26Å; V158-K169 VanDerWaalsContact CG2-CE 3.4Å; V158-K169 HydrophobicContact CG2-CG 3.69Å; V158-K169 PolarHBondContact N-O 3.05Å; V158-K169 PolarHBondContact O-N 2.92Å; D160-K169 VanDerWaalsContact CG-NZ 3.26Å; D160-K169 WeakPolarHBondContact OD1-CE 3.44Å; D160-K169 IonicContact OD1-NZ 3.17Å; D160-K169 PolarHBondContact OD1-NZ 2.72Å; D160-K169 IonicContact OD2-NZ 3.68Å; D160-K169 PolarHBondContact OD2-NZ 2.77Å; A167-K169 PolarHBondContact O-N 2.88Å |
| 170 | F | 98.3 | Very high | 88.9 | Confident | 8 Ų | 8 | 69.9 Ų | 69.9 | 4% | 0.035 | 39% | 0.394 | C | S | . | . | trans | -75.7 | 145.2 | 165 | -54.5 | -55.1 | 0 | 0 | 0 | 109.6 | A144 A146 V155 V157 I223 L251 T261 V264 L268 | A144-F170 HydrophobicContact CB-CB 4.03Å; A146-F170 HydrophobicContact CB-CD1 3.88Å; A146-F170 HydrophobicContact CB-CD2 4.26Å; A146-F170 HydrophobicContact CB-CE1 3.91Å; A146-F170 HydrophobicContact CB-CE2 4.27Å; A146-F170 HydrophobicContact CB-CG 4.07Å; A146-F170 HydrophobicContact CB-CZ 4.1Å; V155-F170 HydrophobicContact CG1-CE1 4.37Å; V155-F170 HydrophobicContact CG2-CD1 4.12Å; V155-F170 HydrophobicContact CG2-CE1 3.65Å; V157-F170 HydrophobicContact CG1-CD1 4.36Å; V157-F170 HydrophobicContact CG1-CE1 4.4Å; F170-I223 HydrophobicContact CD2-CG2 4.03Å; F170-I223 HydrophobicContact CE2-CG2 4.34Å; F170-L251 HydrophobicContact CE1-CD2 3.79Å; F170-L251 HydrophobicContact CZ-CD2 4.05Å; F170-T261 HydrophobicContact CD2-CG2 4.42Å; F170-T261 HydrophobicContact CE1-CG2 4.43Å; F170-T261 HydrophobicContact CE2-CG2 3.98Å; F170-T261 HydrophobicContact CZ-CG2 3.99Å; F170-V264 HydrophobicContact CE2-CB 3.79Å; F170-V264 HydrophobicContact CE2-CG1 3.54Å; F170-V264 HydrophobicContact CZ-CB 4.29Å; F170-V264 HydrophobicContact CZ-CG1 3.91Å; F170-L268 HydrophobicContact CZ-CD1 4.3Å | ||
| 171 | P | 97.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 40% | 0.396 | C | S | . | . | trans | -61.2 | 144.6 | 170.7 | 28.4 | -36.5 | 0 | 0 | 0 | 110.4 | A144 G145 V158 V189 E192 T193 | A144-P171 CarbonylContact C-O 3.5Å; A144-P171 VanDerWaalsContact CA-O 3.28Å; A144-P171 WeakPolarHBondContact CA-O 3.28Å; G145-P171 PolarHBondContact N-O 2.84Å; V158-P171 HydrophobicContact CG1-CB 4.28Å; V158-P171 HydrophobicContact CG2-CB 4.43Å; P171-V189 HydrophobicContact CB-CG2 4.34Å; P171-V189 HydrophobicContact CG-CB 4.34Å; P171-V189 HydrophobicContact CG-CG2 3.63Å; P171-E192 HydrophobicContact CB-CB 4.02Å; P171-E192 HydrophobicContact CB-CG 4.45Å; P171-T193 HydrophobicContact CB-CG2 3.94Å; P171-T193 HydrophobicContact CG-CG2 4.06Å | ||
| 172 | G | 97.4 | Very high | 90.1 | Very high | 9 Ų | 9 | 65.4 Ų | 65.4 | 9% | 0.093 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.8 | 148.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | V143 E192 | V143-G172 CarbonylContact O-C 3.55Å; V143-G172 WeakPolarHBondContact O-CA 3.45Å; G172-E192 PolarHBondContact N-OE1 3.1Å |
| 173 | G | 96 | Very high | 91.4 | Very high | 19 Ų | 19 | 61.6 Ų | 61.6 | 20% | 0.196 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | -159.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G142 V143 E188 | G142-G173 CarbonylContact C-O 3.54Å; G142-G173 WeakPolarHBondContact CA-O 3.05Å; V143-G173 PolarHBondContact N-O 3.38Å; V143-G173 PolarHBondContact O-N 2.65Å; V143-G173 VanDerWaalsContact O-N 3.14Å; G173-E188 WeakPolarHBondContact CA-OE1 3.29Å; G173-E188 WeakPolarHBondContact CA-OE2 3.34Å; G173-E188 VanDerWaalsContact N-CD 3.29Å; G173-E188 PolarHBondContact N-OE2 3.14Å |
| 174 | L | 96.3 | Very high | 92.8 | Very high | 92 Ų | 92 | 55.7 Ų | 55.7 | 48% | 0.482 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 144.2 | -177 | -68.6 | 176.1 | 0 | 0 | 0 | 110.8 | Q140 R187 | Q140-L174 HydrophobicContact CB-CD2 4.4Å; L174-R187 PolarHBondContact O-NH2 3.15Å |
| 175 | S | 97.4 | Very high | 94.8 | Very high | 33 Ų | 33 | 48.3 Ų | 48.3 | 23% | 0.231 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 136.1 | 170.4 | -178 | 0 | 0 | 0 | 0 | 110.6 | V141 E179 T184 | V141-S175 PolarHBondContact O-N 2.81Å; S175-E179 PolarHBondContact OG-O 3.48Å; S175-T184 PolarHBondContact OG-OG1 3.07Å |
| 176 | D | 95.9 | Very high | 96 | Very high | 93 Ų | 93 | 42.2 Ų | 42.2 | 50% | 0.497 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 155.6 | 169 | -79.7 | -25.1 | 0 | 0 | 0 | 111.3 | G178 E179 | D176-G178 PolarHBondContact O-N 2.83Å; D176-G178 VanDerWaalsContact O-N 3.1Å; D176-E179 HydrophobicContact CB-CB 4.06Å; D176-E179 PolarHBondContact N-OE2 2.85Å; D176-E179 VanDerWaalsContact O-CB 3.32Å; D176-E179 WeakPolarHBondContact O-CB 3.27Å; D176-E179 PolarHBondContact O-N 2.96Å |
| 177 | P | 93.1 | Very high | 96.9 | Very high | 123 Ų | 123 | 40.6 Ų | 40.6 | 80% | 0.799 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 117.3 | 176.7 | -26 | 35.1 | 0 | 0 | 0 | 112.6 | E179 | P177-E179 VanDerWaalsContact C-N 3.33Š|
| 178 | G | 92.5 | Very high | 97.2 | Very high | 84 Ų | 84 | 40.1 Ų | 40.1 | 87% | 0.866 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83 | 5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D176 | D176-G178 PolarHBondContact O-N 2.83Å; D176-G178 VanDerWaalsContact O-N 3.1Å |
| 179 | E | 97 | Very high | 97.3 | Very high | 46 Ų | 46 | 39.1 Ų | 39.1 | 22% | 0.215 | 24% | 0.244 | C | C | . | . | trans | -79.7 | 139.7 | 175.3 | -166.2 | -179 | -146.1 | 0 | 0 | 111.4 | S175 D176 P177 T184 R187 | S175-E179 PolarHBondContact OG-O 3.48Å; D176-E179 HydrophobicContact CB-CB 4.06Å; D176-E179 PolarHBondContact N-OE2 2.85Å; D176-E179 VanDerWaalsContact O-CB 3.32Å; D176-E179 WeakPolarHBondContact O-CB 3.27Å; D176-E179 PolarHBondContact O-N 2.96Å; P177-E179 VanDerWaalsContact C-N 3.33Å; E179-T184 WeakPolarHBondContact CG-OG1 3.13Å; E179-T184 WeakPolarHBondContact OE2-CB 3.49Å; E179-T184 PolarHBondContact OE2-OG1 3.2Å; E179-R187 IonicContact OE1-CZ 2.83Å; E179-R187 IonicContact OE1-NE 3.97Å; E179-R187 PolarHBondContact OE1-NE 2.92Å; E179-R187 IonicContact OE1-NH2 3.58Å; E179-R187 IonicContact OE2-CZ 3.48Å; E179-R187 IonicContact OE2-NE 3.88Å; E179-R187 PolarHBondContact OE2-NE 3.2Å; E179-R187 IonicContact OE2-NH2 2.67Å; E179-R187 PolarHBondContact OE2-NH2 3.08Å | ||
| 180 | N | 97.4 | Very high | 97.4 | Very high | 68 Ų | 68 | 42.7 Ų | 42.7 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | trans | -77 | 143.4 | 176.5 | -74.8 | -17.8 | 0 | 0 | 0 | 110.8 | G182 S183 T184 Q296 | N180-G182 VanDerWaalsContact C-N 3.31Å; N180-G182 PolarHBondContact O-N 2.82Å; N180-S183 WeakPolarHBondContact O-CA 3.45Å; N180-S183 WeakPolarHBondContact O-CB 3.28Å; N180-S183 PolarHBondContact O-N 3.14Å; N180-T184 PolarHBondContact O-N 3.18Å; N180-T184 PolarHBondContact O-OG1 2.82Å; N180-Q296 VanDerWaalsContact CB-OE1 3.27Å; N180-Q296 VanDerWaalsContact CG-CD 3.46Å; N180-Q296 VanDerWaalsContact CG-OE1 3.22Å; N180-Q296 PolarHBondContact ND2-NE2 2.67Å; N180-Q296 PolarHBondContact OD1-OE1 3.17Å | ||
| 181 | I | 98.4 | Very high | 97.4 | Very high | 32 Ų | 32 | 46.9 Ų | 46.9 | 16% | 0.164 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -51.2 | -47.7 | -177.9 | -67.6 | 153.4 | 0 | 0 | 0 | 112.2 | V143 S183 T184 A185 L222 Y298 | V143-I181 HydrophobicContact CG1-CG2 3.85Å; V143-I181 HydrophobicContact CG2-CG2 4.1Å; I181-S183 VanDerWaalsContact C-N 3.28Å; I181-S183 PolarHBondContact O-N 3.47Å; I181-T184 PolarHBondContact O-N 2.96Å; I181-A185 PolarHBondContact O-N 2.91Å; I181-L222 HydrophobicContact CD1-CD2 3.69Å; I181-L222 HydrophobicContact CG1-CD2 4.19Å; I181-L222 HydrophobicContact CG2-CB 4.22Å; I181-L222 HydrophobicContact CG2-CD2 4.15Å; I181-Y298 HydrophobicContact CD1-CD2 4.32Å; I181-Y298 HydrophobicContact CD1-CE2 3.57Å |
| 182 | G | 98.2 | Very high | 97.3 | Very high | 8 Ų | 8 | 47 Ų | 47 | 8% | 0.082 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.9 | -29.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N180 V186 F199 | N180-G182 VanDerWaalsContact C-N 3.31Å; N180-G182 PolarHBondContact O-N 2.82Å; G182-V186 VanDerWaalsContact O-CG2 3.31Å; G182-V186 WeakPolarHBondContact O-CG2 3.45Å; G182-V186 PolarHBondContact O-N 2.9Å; G182-F199 VanDerWaalsContact CA-CD2 3.41Å |
| 183 | S | 98.4 | Very high | 97.4 | Very high | 61 Ų | 61 | 46.6 Ų | 46.6 | 43% | 0.427 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -73.4 | -44.4 | 175.3 | -58 | 0 | 0 | 0 | 0 | 110.8 | N180 I181 A185 V186 R187 | N180-S183 WeakPolarHBondContact O-CA 3.45Å; N180-S183 WeakPolarHBondContact O-CB 3.28Å; N180-S183 PolarHBondContact O-N 3.14Å; I181-S183 VanDerWaalsContact C-N 3.28Å; I181-S183 PolarHBondContact O-N 3.47Å; S183-A185 VanDerWaalsContact C-N 3.35Å; S183-A185 PolarHBondContact O-N 3.27Å; S183-V186 PolarHBondContact O-N 2.61Å; S183-R187 WeakPolarHBondContact O-CB 3.37Å; S183-R187 PolarHBondContact O-N 2.88Å |
| 184 | T | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.5 | -50.3 | 172.3 | -52.4 | 0 | 0 | 0 | 0 | 110.8 | V143 S175 E179 N180 I181 V186 R187 E188 | V143-T184 HydrophobicContact CB-CG2 3.75Å; V143-T184 HydrophobicContact CG2-CG2 3.76Å; S175-T184 PolarHBondContact OG-OG1 3.07Å; E179-T184 WeakPolarHBondContact CG-OG1 3.13Å; E179-T184 WeakPolarHBondContact OE2-CB 3.49Å; E179-T184 PolarHBondContact OE2-OG1 3.2Å; N180-T184 PolarHBondContact O-N 3.18Å; N180-T184 PolarHBondContact O-OG1 2.82Å; I181-T184 PolarHBondContact O-N 2.96Å; T184-V186 VanDerWaalsContact C-N 3.31Å; T184-V186 PolarHBondContact O-N 2.76Å; T184-R187 PolarHBondContact O-N 3.17Å; T184-E188 HydrophobicContact CG2-CG 4.07Å; T184-E188 WeakPolarHBondContact O-CB 3.3Å; T184-E188 WeakPolarHBondContact O-CG 3.24Å; T184-E188 PolarHBondContact O-N 3.02Å |
| 185 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.2 | -42.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V143 I181 S183 V189 C224 L226 | V143-A185 HydrophobicContact CG1-CB 3.72Å; I181-A185 PolarHBondContact O-N 2.91Å; S183-A185 VanDerWaalsContact C-N 3.35Å; S183-A185 PolarHBondContact O-N 3.27Å; A185-V189 WeakPolarHBondContact O-CB 3.44Å; A185-V189 WeakPolarHBondContact O-CG2 3.33Å; A185-V189 PolarHBondContact O-N 2.88Å; A185-C224 HydrophobicContact CB-CB 3.93Å; A185-L226 HydrophobicContact CB-CD1 4.2Å; A185-L226 HydrophobicContact CB-CD2 4.09Å |
| 186 | V | 98.9 | Very high | 97.7 | Very high | 42 Ų | 42 | 47.9 Ų | 47.9 | 26% | 0.255 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.7 | -42 | 179.9 | 170 | 0 | 0 | 0 | 0 | 111.5 | G182 S183 T184 F190 F199 L226 | G182-V186 VanDerWaalsContact O-CG2 3.31Å; G182-V186 WeakPolarHBondContact O-CG2 3.45Å; G182-V186 PolarHBondContact O-N 2.9Å; S183-V186 PolarHBondContact O-N 2.61Å; T184-V186 VanDerWaalsContact C-N 3.31Å; T184-V186 PolarHBondContact O-N 2.76Å; V186-F190 PolarHBondContact O-N 2.89Å; V186-F190 VanDerWaalsContact O-N 3.16Å; V186-F199 HydrophobicContact CG2-CB 4.38Å; V186-L226 HydrophobicContact CG2-CD2 4.2Å |
| 187 | R | 98.7 | Very high | 97.8 | Very high | 51 Ų | 51 | 43.9 Ų | 43.9 | 19% | 0.192 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.3 | -54 | 177.2 | 176 | -179.2 | 55 | 71.4 | -2.5 | 110.9 | L174 E179 S183 T184 V189 F190 E191 | L174-R187 PolarHBondContact O-NH2 3.15Å; E179-R187 IonicContact OE1-CZ 2.83Å; E179-R187 IonicContact OE1-NE 3.97Å; E179-R187 PolarHBondContact OE1-NE 2.92Å; E179-R187 IonicContact OE1-NH2 3.58Å; E179-R187 IonicContact OE2-CZ 3.48Å; E179-R187 IonicContact OE2-NE 3.88Å; E179-R187 PolarHBondContact OE2-NE 3.2Å; E179-R187 IonicContact OE2-NH2 2.67Å; E179-R187 PolarHBondContact OE2-NH2 3.08Å; S183-R187 WeakPolarHBondContact O-CB 3.37Å; S183-R187 PolarHBondContact O-N 2.88Å; T184-R187 PolarHBondContact O-N 3.17Å; R187-V189 VanDerWaalsContact C-N 3.33Å; R187-V189 PolarHBondContact O-N 2.76Å; R187-F190 WeakPolarHBondContact O-CB 3.23Å; R187-F190 PolarHBondContact O-N 2.87Å; R187-E191 WeakPolarHBondContact CD-OE1 3.27Å; R187-E191 VanDerWaalsContact CG-CD 3.48Å; R187-E191 HydrophobicContact CG-CG 4.2Å; R187-E191 VanDerWaalsContact CG-OE1 3.22Å; R187-E191 WeakPolarHBondContact CG-OE1 3.39Å; R187-E191 IonicContact NH1-OE1 3.05Å; R187-E191 IonicContact NH1-OE2 2.77Å; R187-E191 PolarHBondContact NH1-OE2 3.16Å; R187-E191 WeakPolarHBondContact O-CG 3.38Å; R187-E191 PolarHBondContact O-N 2.83Å |
| 188 | E | 98.5 | Very high | 98.1 | Very high | 17 Ų | 17 | 43.4 Ų | 43.4 | 8% | 0.079 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.2 | -41.6 | -177.3 | -68.1 | -71.5 | 171.8 | 0 | 0 | 112 | G173 T184 F190 E191 E192 | G173-E188 WeakPolarHBondContact CA-OE1 3.29Å; G173-E188 WeakPolarHBondContact CA-OE2 3.34Å; G173-E188 VanDerWaalsContact N-CD 3.29Å; G173-E188 PolarHBondContact N-OE2 3.14Å; T184-E188 HydrophobicContact CG2-CG 4.07Å; T184-E188 WeakPolarHBondContact O-CB 3.3Å; T184-E188 WeakPolarHBondContact O-CG 3.24Å; T184-E188 PolarHBondContact O-N 3.02Å; E188-F190 VanDerWaalsContact C-N 3.32Å; E188-F190 PolarHBondContact O-N 2.82Å; E188-E191 PolarHBondContact O-N 3.14Å; E188-E192 WeakPolarHBondContact O-CB 2.95Å; E188-E192 PolarHBondContact O-N 2.96Å |
| 189 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.1 | -46.6 | 173.3 | 165.4 | 0 | 0 | 0 | 0 | 111 | V147 L156 P171 A185 R187 T193 V195 L226 | V147-V189 HydrophobicContact CG2-CB 4.3Å; V147-V189 HydrophobicContact CG2-CG1 3.5Å; V147-V189 HydrophobicContact CG2-CG2 3.76Å; L156-V189 HydrophobicContact CD2-CG1 4.32Å; P171-V189 HydrophobicContact CB-CG2 4.34Å; P171-V189 HydrophobicContact CG-CB 4.34Å; P171-V189 HydrophobicContact CG-CG2 3.63Å; A185-V189 WeakPolarHBondContact O-CB 3.44Å; A185-V189 WeakPolarHBondContact O-CG2 3.33Å; A185-V189 PolarHBondContact O-N 2.88Å; R187-V189 VanDerWaalsContact C-N 3.33Å; R187-V189 PolarHBondContact O-N 2.76Å; V189-T193 WeakPolarHBondContact O-CB 3.2Å; V189-T193 PolarHBondContact O-N 2.77Å; V189-T193 PolarHBondContact O-OG1 2.93Å; V189-V195 HydrophobicContact CG1-CB 4.45Å; V189-V195 WeakPolarHBondContact CG1-O 3.43Å; V189-L226 HydrophobicContact CB-CD1 4.45Å; V189-L226 HydrophobicContact CG2-CD1 3.62Å |
| 190 | F | 98.6 | Very high | 98.4 | Very high | 110 Ų | 110 | 44.7 Ų | 44.7 | 48% | 0.482 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.2 | -42.6 | -179 | -178.3 | -107.2 | 0 | 0 | 0 | 111.8 | V186 R187 E188 G194 R196 | V186-F190 PolarHBondContact O-N 2.89Å; V186-F190 VanDerWaalsContact O-N 3.16Å; R187-F190 WeakPolarHBondContact O-CB 3.23Å; R187-F190 PolarHBondContact O-N 2.87Å; E188-F190 VanDerWaalsContact C-N 3.32Å; E188-F190 PolarHBondContact O-N 2.82Å; F190-G194 WeakPolarHBondContact CE2-O 3.34Å; F190-G194 VanDerWaalsContact O-CA 3.26Å; F190-G194 WeakPolarHBondContact O-CA 3.24Å; F190-G194 PolarHBondContact O-N 2.68Å; F190-R196 HydrophobicContact CD2-CG 3.86Å; F190-R196 HydrophobicContact CE2-CG 3.92Å |
| 191 | E | 97.8 | Very high | 98.5 | Very high | 96 Ų | 96 | 41.5 Ų | 41.5 | 45% | 0.449 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.7 | -45.6 | 178.8 | -73.1 | 173.6 | 171.6 | 0 | 0 | 112.2 | R187 E188 | R187-E191 WeakPolarHBondContact CD-OE1 3.27Å; R187-E191 VanDerWaalsContact CG-CD 3.48Å; R187-E191 HydrophobicContact CG-CG 4.2Å; R187-E191 VanDerWaalsContact CG-OE1 3.22Å; R187-E191 WeakPolarHBondContact CG-OE1 3.39Å; R187-E191 IonicContact NH1-OE1 3.05Å; R187-E191 IonicContact NH1-OE2 2.77Å; R187-E191 PolarHBondContact NH1-OE2 3.16Å; R187-E191 WeakPolarHBondContact O-CG 3.38Å; R187-E191 PolarHBondContact O-N 2.83Å; E188-E191 PolarHBondContact O-N 3.14Å |
| 192 | E | 97.4 | Very high | 98.5 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.019 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -76.8 | -34.5 | -178.6 | -74.9 | -166.2 | -133.9 | 0 | 0 | 113.1 | V158 P171 G172 E188 F235 C236 | V158-E192 WeakPolarHBondContact CG2-OE2 3.37Å; P171-E192 HydrophobicContact CB-CB 4.02Å; P171-E192 HydrophobicContact CB-CG 4.45Å; G172-E192 PolarHBondContact N-OE1 3.1Å; E188-E192 WeakPolarHBondContact O-CB 2.95Å; E188-E192 PolarHBondContact O-N 2.96Å; E192-F235 CarbonylContact O-C 3.49Å; E192-F235 WeakPolarHBondContact O-CA 3.39Å; E192-F235 VanDerWaalsContact O-CB 3.31Å; E192-F235 WeakPolarHBondContact O-CB 3.37Å; E192-C236 PolarHBondContact O-N 2.91Å |
| 193 | T | 98.3 | Very high | 98.5 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -121.9 | -16.2 | -164.2 | 76.6 | 0 | 0 | 0 | 0 | 115.3 | L156 V158 P171 V189 V195 N234 | L156-T193 HydrophobicContact CD2-CG2 3.76Å; L156-T193 WeakPolarHBondContact CD2-OG1 3.27Å; L156-T193 HydrophobicContact CG-CG2 4.28Å; V158-T193 HydrophobicContact CG1-CG2 3.73Å; P171-T193 HydrophobicContact CB-CG2 3.94Å; P171-T193 HydrophobicContact CG-CG2 4.06Å; V189-T193 WeakPolarHBondContact O-CB 3.2Å; V189-T193 PolarHBondContact O-N 2.77Å; V189-T193 PolarHBondContact O-OG1 2.93Å; T193-V195 PolarHBondContact O-N 3.28Å; T193-V195 WeakPolarHBondContact OG1-CB 3.4Å; T193-V195 PolarHBondContact OG1-N 3.11Å; T193-V195 VanDerWaalsContact OG1-N 3.11Å; T193-N234 CarbonylContact C-O 3.6Å; T193-N234 CarbonylContact O-C 3.55Å; T193-N234 VanDerWaalsContact O-C 3.24Å; T193-N234 PolarHBondContact O-N 2.85Å |
| 194 | G | 98.3 | Very high | 98.5 | Very high | 19 Ų | 19 | 39.3 Ų | 39.3 | 20% | 0.196 | 18% | 0.18 | C | C | . | . | trans | 73.2 | -4.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | F190 N234 | F190-G194 WeakPolarHBondContact CE2-O 3.34Å; F190-G194 VanDerWaalsContact O-CA 3.26Å; F190-G194 WeakPolarHBondContact O-CA 3.24Å; F190-G194 PolarHBondContact O-N 2.68Å; G194-N234 PolarHBondContact N-O 2.83Å | ||
| 195 | V | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -78.6 | 126.2 | -179.4 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | L156 V189 T193 T230 I233 W245 | L156-V195 HydrophobicContact CD1-CG2 4.34Å; L156-V195 HydrophobicContact CD2-CB 3.81Å; L156-V195 HydrophobicContact CD2-CG1 4.18Å; L156-V195 HydrophobicContact CD2-CG2 3.76Å; V189-V195 HydrophobicContact CG1-CB 4.45Å; V189-V195 WeakPolarHBondContact CG1-O 3.43Å; T193-V195 PolarHBondContact O-N 3.28Å; T193-V195 WeakPolarHBondContact OG1-CB 3.4Å; T193-V195 PolarHBondContact OG1-N 3.11Å; T193-V195 VanDerWaalsContact OG1-N 3.11Å; V195-T230 WeakPolarHBondContact CG1-O 3.43Å; V195-I233 HydrophobicContact CG2-CG1 4.24Å; V195-W245 HydrophobicContact CG1-CZ2 4.23Å; V195-W245 HydrophobicContact CG2-CZ2 4.38Å | ||
| 196 | R | 98.8 | Very high | 98.4 | Very high | 152 Ų | 152 | 47 Ų | 47 | 57% | 0.574 | 22% | 0.215 | S | C | * | . | trans | -80.8 | 137.5 | 169.9 | -65.8 | -176.6 | -66.4 | -167.2 | -0.8 | 109.3 | F190 L229 T230 | F190-R196 HydrophobicContact CD2-CG 3.86Å; F190-R196 HydrophobicContact CE2-CG 3.92Å; R196-L229 HydrophobicContact CB-CB 4.13Å; R196-L229 WeakPolarHBondContact O-CB 3.36Å; R196-L229 PolarHBondContact O-N 2.85Å; R196-T230 HydrophobicContact CB-CG2 4.23Å; R196-T230 PolarHBondContact N-OG1 2.83Å; R196-T230 VanDerWaalsContact NH2-CG2 3.31Å; R196-T230 PolarHBondContact O-N 3.39Å | ||
| 197 | S | 98.8 | Very high | 98.3 | Very high | 8 Ų | 8 | 50.4 Ų | 50.4 | 6% | 0.056 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 168.8 | -176.5 | 65.7 | 0 | 0 | 0 | 0 | 111.5 | S227 | S197-S227 CarbonylContact C-O 3.58Å; S197-S227 VanDerWaalsContact CA-O 3.28Å; S197-S227 WeakPolarHBondContact CA-O 3.13Å |
| 198 | K | 98.7 | Very high | 98 | Very high | 114 Ų | 114 | 51.2 Ų | 51.2 | 50% | 0.496 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 131.8 | 176.6 | -178.1 | 177.8 | 179.4 | 177.5 | 0 | 110.1 | L226 S227 L229 | K198-L226 CarbonylContact O-C 3.13Å; K198-L226 VanDerWaalsContact O-CA 3.28Å; K198-L226 WeakPolarHBondContact O-CA 3.47Å; K198-S227 PolarHBondContact N-O 3.12Å; K198-S227 PolarHBondContact O-N 3.37Å; K198-L229 HydrophobicContact CB-CD1 4.36Å; K198-L229 HydrophobicContact CB-CD2 4.29Å; K198-L229 HydrophobicContact CB-CG 4.37Å |
| 199 | F | 98.7 | Very high | 97.8 | Very high | 42 Ų | 42 | 56.1 Ų | 56.1 | 18% | 0.184 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 134.7 | 173.3 | 179.5 | -96.4 | 0 | 0 | 0 | 112.4 | G182 V186 S201 C224 L226 M283 Y298 | G182-F199 VanDerWaalsContact CA-CD2 3.41Å; V186-F199 HydrophobicContact CG2-CB 4.38Å; F199-S201 VanDerWaalsContact CE2-O 3.27Å; F199-S201 WeakPolarHBondContact CE2-O 3.34Å; F199-C224 HydrophobicContact CD2-CB 4Å; F199-C224 HydrophobicContact CE2-CB 3.79Å; F199-L226 VanDerWaalsContact CA-CD2 3.46Å; F199-L226 HydrophobicContact CB-CD2 4.03Å; F199-L226 HydrophobicContact CD2-CD2 3.94Å; F199-L226 HydrophobicContact CG-CD2 4.45Å; F199-M283 HydrophobicContact CE1-CB 4.23Å; F199-Y298 AromaticContact CZ-CE1 3.96Å; F199-Y298 HydrophobicContact CZ-CE1 3.96Å |
| 200 | R | 98.2 | Very high | 97.2 | Very high | 115 Ų | 115 | 65.9 Ų | 65.9 | 43% | 0.434 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | -52.2 | 175.8 | -60.3 | -60.6 | 179.5 | 160.7 | 4.7 | 112.1 | R225 S227 | R200-R225 WeakPolarHBondContact CB-O 3.33Å; R200-R225 PolarHBondContact N-O 3.33Å; R200-S227 VanDerWaalsContact CZ-OG 3.31Å; R200-S227 PolarHBondContact NE-OG 2.72Å; R200-S227 PolarHBondContact NH2-OG 2.87Å |
| 201 | S | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 164.4 | -175.2 | 65.4 | 0 | 0 | 0 | 0 | 112 | F199 C224 R225 D280 | F199-S201 VanDerWaalsContact CE2-O 3.27Å; F199-S201 WeakPolarHBondContact CE2-O 3.34Å; S201-C224 CarbonylContact O-C 3.56Å; S201-C224 VanDerWaalsContact O-CA 3.23Å; S201-C224 WeakPolarHBondContact O-CA 3.39Å; S201-C224 WeakPolarHBondContact O-CB 3.38Å; S201-R225 PolarHBondContact N-O 2.83Å; S201-R225 PolarHBondContact O-N 3.24Å; S201-R225 VanDerWaalsContact OG-CB 3.29Å; S201-R225 WeakPolarHBondContact OG-CB 3.45Å; S201-D280 WeakPolarHBondContact CB-OD1 3.23Å; S201-D280 PolarHBondContact OG-OD1 3.27Å |
| 202 | L | 98.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 138.4 | 158.6 | 179.8 | 70.1 | 0 | 0 | 0 | 108.5 | I205 L222 L281 Y298 | L202-I205 HydrophobicContact CD2-CD1 4.07Å; L202-I205 HydrophobicContact CD2-CG1 3.97Å; L202-L222 HydrophobicContact CD1-CB 3.75Å; L202-L222 HydrophobicContact CD1-CD2 3.81Å; L202-L222 HydrophobicContact CD1-CG 4.29Å; L202-L222 HydrophobicContact CD2-CD2 4.12Å; L202-L281 HydrophobicContact CB-CB 4.14Å; L202-L281 HydrophobicContact CD2-CD1 4.16Å; L202-L281 HydrophobicContact CG-CD1 4.37Å; L202-L281 PolarHBondContact N-O 3.36Å; L202-L281 VanDerWaalsContact O-CB 3.32Å; L202-L281 WeakPolarHBondContact O-CB 3.32Å; L202-L281 PolarHBondContact O-N 3.21Å; L202-Y298 HydrophobicContact CB-CD1 3.69Å; L202-Y298 HydrophobicContact CB-CE1 4.19Å; L202-Y298 HydrophobicContact CD2-CD1 4.05Å; L202-Y298 HydrophobicContact CD2-CG 4.13Å; L202-Y298 HydrophobicContact CG-CD1 4.49Å |
| 203 | L | 98.6 | Very high | 95 | Very high | 10 Ų | 10 | 66.6 Ų | 66.6 | 5% | 0.052 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | -42.6 | 177.9 | -66.8 | 172.7 | 0 | 0 | 0 | 112.4 | A146 I223 R225 V264 L267 L268 I279 | A146-L203 HydrophobicContact CB-CD1 4.39Å; L203-I223 WeakPolarHBondContact CB-O 3.42Å; L203-I223 PolarHBondContact N-O 2.83Å; L203-R225 HydrophobicContact CD1-CB 3.79Å; L203-R225 HydrophobicContact CD1-CG 4.36Å; L203-R225 HydrophobicContact CD2-CB 4Å; L203-R225 HydrophobicContact CG-CB 3.83Å; L203-V264 HydrophobicContact CD1-CG1 4.11Å; L203-L267 HydrophobicContact CB-CD2 4.22Å; L203-L267 HydrophobicContact CD2-CD2 4.46Å; L203-L268 HydrophobicContact CD1-CD2 3.61Å; L203-L268 HydrophobicContact CD1-CG 4.37Å; L203-I279 HydrophobicContact CD2-CD1 3.83Å; L203-I279 HydrophobicContact CD2-CG1 4Å |
| 204 | S | 98.3 | Very high | 94.3 | Very high | 43 Ų | 43 | 66.6 Ų | 66.6 | 30% | 0.301 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 155.9 | -170.8 | -168.7 | 0 | 0 | 0 | 0 | 112 | I223 | S204-I223 PolarHBondContact N-O 3.46Å; S204-I223 PolarHBondContact O-N 2.9Å |
| 205 | I | 98.3 | Very high | 93.8 | Very high | 91 Ų | 91 | 72.9 Ų | 72.9 | 47% | 0.467 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 127.4 | 176.6 | -54.5 | 169.1 | 0 | 0 | 0 | 107.2 | L202 M220 L222 | L202-I205 HydrophobicContact CD2-CD1 4.07Å; L202-I205 HydrophobicContact CD2-CG1 3.97Å; I205-M220 HydrophobicContact CG2-CE 3.73Å; I205-L222 HydrophobicContact CG1-CD2 4.38Å |
| 206 | R | 96.5 | Very high | 93.2 | Very high | 70 Ų | 70 | 79.5 Ų | 79.5 | 26% | 0.264 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 137.8 | 171.3 | 176.9 | -163 | 82.9 | -175.5 | -0.6 | 108.8 | D219 M220 Y221 I260 | R206-D219 IonicContact CZ-OD2 3.53Å; R206-D219 IonicContact NE-OD2 3.57Å; R206-D219 IonicContact NH2-OD2 2.68Å; R206-D219 PolarHBondContact NH2-OD2 2.85Å; R206-M220 CarbonylContact O-C 3.58Å; R206-M220 WeakPolarHBondContact O-CA 3.25Å; R206-Y221 PolarHBondContact N-O 3.41Å; R206-Y221 PolarHBondContact O-N 3.4Å; R206-I260 VanDerWaalsContact CD-CD1 3.45Å; R206-I260 HydrophobicContact CG-CD1 4.08Å |
| 207 | Q | 96.4 | Very high | 92.8 | Very high | 114 Ų | 114 | 75.9 Ų | 75.9 | 53% | 0.533 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 138.7 | 168.2 | -170.2 | 178.6 | 22.9 | 0 | 0 | 110.3 | H139 D219 | H139-Q207 PolarHBondContact NE2-NE2 3.23Å; Q207-D219 WeakPolarHBondContact CA-O 3.36Å |
| 208 | Q | 93.3 | Very high | 92.5 | Very high | 68 Ų | 68 | 76.3 Ų | 76.3 | 32% | 0.318 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 138.5 | 170.9 | 178.9 | -178.9 | -10.8 | 0 | 0 | 110.1 | H211 S218 D219 | Q208-H211 PolarHBondContact OE1-ND1 2.86Å; Q208-H211 VanDerWaalsContact OE1-ND1 3.11Å; Q208-S218 CarbonylContact O-C 3.54Å; Q208-S218 WeakPolarHBondContact O-CA 3.37Å; Q208-D219 HydrophobicContact CB-CB 4.49Å; Q208-D219 PolarHBondContact N-O 2.8Å; Q208-D219 PolarHBondContact O-N 2.95Å |
| 209 | H | 94.3 | Very high | 92.3 | Very high | 120 Ų | 120 | 71.1 Ų | 71.1 | 56% | 0.556 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -96.8 | 151.1 | 170.1 | -58 | -53.1 | 0 | 0 | 0 | 110.9 | H211 S218 | H209-H211 VanDerWaalsContact C-N 3.31Å; H209-H211 PolarHBondContact O-N 3.21Å; H209-S218 PolarHBondContact ND1-OG 3.3Å |
| 210 | R | 85.9 | Confident | 92.2 | Very high | 204 Ų | 204 | 72.2 Ų | 72.2 | 77% | 0.77 | 36% | 0.359 | S | S | * | . | S | Bend | trans | 54 | 46.9 | 176.8 | -54.9 | 179.4 | -175.4 | 167.5 | 0.6 | 111.8 | ||
| 211 | H | 82.9 | Confident | 92.1 | Very high | 61 Ų | 61 | 68.6 Ų | 68.6 | 28% | 0.282 | 35% | 0.346 | S | S | . | . | trans | -63.7 | 130.5 | 177.5 | -173.2 | 78.6 | 0 | 0 | 0 | 109.4 | Q208 H209 G213 A214 D219 | Q208-H211 PolarHBondContact OE1-ND1 2.86Å; Q208-H211 VanDerWaalsContact OE1-ND1 3.11Å; H209-H211 VanDerWaalsContact C-N 3.31Å; H209-H211 PolarHBondContact O-N 3.21Å; H211-G213 PolarHBondContact O-N 2.97Å; H211-A214 HydrophobicContact CB-CB 3.92Å; H211-A214 VanDerWaalsContact O-CB 3.29Å; H211-A214 WeakPolarHBondContact O-CB 3.44Å; H211-A214 PolarHBondContact O-N 2.9Å; H211-D219 HydrophobicContact CB-CB 4.06Å | ||
| 212 | P | 83.8 | Confident | 92.1 | Very high | 103 Ų | 103 | 69.2 Ų | 69.2 | 67% | 0.669 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 128 | 179 | -26.7 | 35.2 | 0 | 0 | 0 | 111.4 | A214 | P212-A214 VanDerWaalsContact C-N 3.32Š|
| 213 | G | 81.1 | Confident | 92.1 | Very high | 62 Ų | 62 | 69.2 Ų | 69.2 | 64% | 0.639 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | -0.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | H211 F215 | H211-G213 PolarHBondContact O-N 2.97Å; G213-F215 WeakPolarHBondContact O-CD2 3.22Å; G213-F215 WeakPolarHBondContact O-CE2 3.14Å |
| 214 | A | 83.8 | Confident | 92.2 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -93.2 | 10.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | H211 P212 D216 M217 | H211-A214 HydrophobicContact CB-CB 3.92Å; H211-A214 VanDerWaalsContact O-CB 3.29Å; H211-A214 WeakPolarHBondContact O-CB 3.44Å; H211-A214 PolarHBondContact O-N 2.9Å; P212-A214 VanDerWaalsContact C-N 3.32Å; A214-D216 PolarHBondContact O-N 2.9Å; A214-M217 HydrophobicContact CB-CB 4.44Å; A214-M217 WeakPolarHBondContact O-CB 3.46Å; A214-M217 VanDerWaalsContact O-CG 3.3Å; A214-M217 WeakPolarHBondContact O-CG 3.37Å; A214-M217 PolarHBondContact O-N 3.11Å |
| 215 | F | 86.9 | Confident | 92.2 | Very high | 150 Ų | 150 | 67.4 Ų | 67.4 | 66% | 0.658 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 53.6 | 175.2 | -50.2 | -82 | 0 | 0 | 0 | 113.6 | M1 G213 M217 | M1-F215 HydrophobicContact CE-CZ 4.16Å; G213-F215 WeakPolarHBondContact O-CD2 3.22Å; G213-F215 WeakPolarHBondContact O-CE2 3.14Å; F215-M217 WeakPolarHBondContact O-CE 3.43Å; F215-M217 PolarHBondContact O-N 3.22Å |
| 216 | D | 87.1 | Confident | 92.2 | Very high | 140 Ų | 140 | 63.1 Ų | 63.1 | 75% | 0.749 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 2.9 | -175.4 | -60.5 | -44.5 | 0 | 0 | 0 | 116 | A214 | A214-D216 PolarHBondContact O-N 2.9Š|
| 217 | M | 89.7 | Confident | 92.3 | Very high | 75 Ų | 75 | 60.3 Ų | 60.3 | 37% | 0.369 | 30% | 0.304 | S | S | . | . | trans | -75.2 | 157.4 | 170.7 | -55.9 | -59.3 | 116.8 | 0 | 0 | 111.3 | A214 F215 | A214-M217 HydrophobicContact CB-CB 4.44Å; A214-M217 WeakPolarHBondContact O-CB 3.46Å; A214-M217 VanDerWaalsContact O-CG 3.3Å; A214-M217 WeakPolarHBondContact O-CG 3.37Å; A214-M217 PolarHBondContact O-N 3.11Å; F215-M217 WeakPolarHBondContact O-CE 3.43Å; F215-M217 PolarHBondContact O-N 3.22Å | ||
| 218 | S | 93.6 | Very high | 92.4 | Very high | 18 Ų | 18 | 55.7 Ų | 55.7 | 13% | 0.126 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 165.9 | 171.6 | -62.2 | 0 | 0 | 0 | 0 | 110.6 | T138 H139 Q140 Q208 H209 | T138-S218 PolarHBondContact O-N 3.42Å; H139-S218 CarbonylContact C-O 3.57Å; H139-S218 WeakPolarHBondContact CA-O 3.29Å; H139-S218 WeakPolarHBondContact CD2-CB 3.41Å; H139-S218 VanDerWaalsContact NE2-CB 3.27Å; H139-S218 WeakPolarHBondContact NE2-CB 3.31Å; Q140-S218 PolarHBondContact N-O 3.4Å; Q208-S218 CarbonylContact O-C 3.54Å; Q208-S218 WeakPolarHBondContact O-CA 3.37Å; H209-S218 PolarHBondContact ND1-OG 3.3Å |
| 219 | D | 93.8 | Very high | 92.7 | Very high | 5 Ų | 5 | 57.5 Ų | 57.5 | 3% | 0.027 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 133.8 | 177 | 169.1 | 75.5 | 0 | 0 | 0 | 109.1 | R206 Q207 Q208 H211 | R206-D219 IonicContact CZ-OD2 3.53Å; R206-D219 IonicContact NE-OD2 3.57Å; R206-D219 IonicContact NH2-OD2 2.68Å; R206-D219 PolarHBondContact NH2-OD2 2.85Å; Q207-D219 WeakPolarHBondContact CA-O 3.36Å; Q208-D219 HydrophobicContact CB-CB 4.49Å; Q208-D219 PolarHBondContact N-O 2.8Å; Q208-D219 PolarHBondContact O-N 2.95Å; H211-D219 HydrophobicContact CB-CB 4.06Å |
| 220 | M | 96.6 | Very high | 92.9 | Very high | 64 Ų | 64 | 53.1 Ų | 53.1 | 32% | 0.315 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.1 | 162.8 | -70 | -172.4 | 71.6 | 0 | 0 | 108.5 | H139 Q140 V141 G142 I205 R206 | H139-M220 HydrophobicContact CB-CG 4.28Å; Q140-M220 PolarHBondContact O-N 3.27Å; V141-M220 CarbonylContact C-O 3.55Å; V141-M220 WeakPolarHBondContact CA-O 3.39Å; G142-M220 PolarHBondContact N-O 2.93Å; I205-M220 HydrophobicContact CG2-CE 3.73Å; R206-M220 CarbonylContact O-C 3.58Å; R206-M220 WeakPolarHBondContact O-CA 3.25Å |
| 221 | Y | 96.7 | Very high | 93.5 | Very high | 40 Ų | 40 | 49.2 Ų | 49.2 | 16% | 0.157 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 115.5 | 178.7 | -160.8 | -96.3 | 0 | 0 | 0 | 110.3 | G142 A144 R206 I223 | G142-Y221 CarbonylContact O-C 3.57Å; G142-Y221 VanDerWaalsContact O-CA 3.3Å; G142-Y221 WeakPolarHBondContact O-CA 3.31Å; A144-Y221 HydrophobicContact CB-CE1 3.56Å; A144-Y221 WeakPolarHBondContact CB-OH 3.18Å; R206-Y221 PolarHBondContact N-O 3.41Å; R206-Y221 PolarHBondContact O-N 3.4Å; Y221-I223 HydrophobicContact CD1-CG1 4.06Å; Y221-I223 HydrophobicContact CE1-CG1 4.22Å |
| 222 | L | 98.6 | Very high | 94.2 | Very high | 12 Ų | 12 | 53.1 Ų | 53.1 | 6% | 0.063 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 137.2 | -177.1 | -64.3 | 98.7 | 0 | 0 | 0 | 109.9 | V141 G142 V143 A144 I181 L202 I205 | V141-L222 HydrophobicContact CG1-CD1 3.5Å; V141-L222 VanDerWaalsContact CG1-CD1 3.5Å; G142-L222 PolarHBondContact O-N 3.28Å; V143-L222 CarbonylContact C-O 3.6Å; V143-L222 VanDerWaalsContact CA-O 3.27Å; V143-L222 WeakPolarHBondContact CA-O 3.47Å; V143-L222 HydrophobicContact CG1-CB 4.34Å; V143-L222 HydrophobicContact CG2-CB 4.46Å; A144-L222 PolarHBondContact N-O 3.2Å; I181-L222 HydrophobicContact CD1-CD2 3.69Å; I181-L222 HydrophobicContact CG1-CD2 4.19Å; I181-L222 HydrophobicContact CG2-CB 4.22Å; I181-L222 HydrophobicContact CG2-CD2 4.15Å; L202-L222 HydrophobicContact CD1-CB 3.75Å; L202-L222 HydrophobicContact CD1-CD2 3.81Å; L202-L222 HydrophobicContact CD1-CG 4.29Å; L202-L222 HydrophobicContact CD2-CD2 4.12Å; I205-L222 HydrophobicContact CG1-CD2 4.38Å |
| 223 | I | 98.8 | Very high | 94.9 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 117.7 | 179.6 | -54.4 | 173.7 | 0 | 0 | 0 | 107.9 | A144 F170 L203 S204 Y221 I260 V264 | A144-I223 HydrophobicContact CB-CG1 4.33Å; A144-I223 HydrophobicContact CB-CG2 4.39Å; F170-I223 HydrophobicContact CD2-CG2 4.03Å; F170-I223 HydrophobicContact CE2-CG2 4.34Å; L203-I223 WeakPolarHBondContact CB-O 3.42Å; L203-I223 PolarHBondContact N-O 2.83Å; S204-I223 PolarHBondContact N-O 3.46Å; S204-I223 PolarHBondContact O-N 2.9Å; Y221-I223 HydrophobicContact CD1-CG1 4.06Å; Y221-I223 HydrophobicContact CE1-CG1 4.22Å; I223-I260 HydrophobicContact CD1-CG2 3.77Å; I223-V264 HydrophobicContact CD1-CG2 3.75Å; I223-V264 HydrophobicContact CG2-CG1 4.08Å; I223-V264 HydrophobicContact CG2-CG2 4.5Å |
| 224 | C | 98.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 144.8 | -176.4 | -58.5 | 0 | 0 | 0 | 0 | 110.9 | A144 A146 A185 F199 S201 L226 | A144-C224 PolarHBondContact O-N 3.01Å; A146-C224 PolarHBondContact N-O 3.09Å; A185-C224 HydrophobicContact CB-CB 3.93Å; F199-C224 HydrophobicContact CD2-CB 4Å; F199-C224 HydrophobicContact CE2-CB 3.79Å; S201-C224 CarbonylContact O-C 3.56Å; S201-C224 VanDerWaalsContact O-CA 3.23Å; S201-C224 WeakPolarHBondContact O-CA 3.39Å; S201-C224 WeakPolarHBondContact O-CB 3.38Å; C224-L226 HydrophobicContact CB-CD2 4.13Å |
| 225 | R | 98.8 | Very high | 96.2 | Very high | 15 Ų | 15 | 57.7 Ų | 57.7 | 6% | 0.057 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 129.8 | 164.2 | -162.1 | 169.6 | 62 | 84.1 | -3.9 | 108.9 | E150 R200 S201 L203 L268 D280 | E150-R225 IonicContact OE1-CZ 3.62Å; E150-R225 IonicContact OE1-NH1 2.82Å; E150-R225 PolarHBondContact OE1-NH1 3.14Å; R200-R225 WeakPolarHBondContact CB-O 3.33Å; R200-R225 PolarHBondContact N-O 3.33Å; S201-R225 PolarHBondContact N-O 2.83Å; S201-R225 PolarHBondContact O-N 3.24Å; S201-R225 VanDerWaalsContact OG-CB 3.29Å; S201-R225 WeakPolarHBondContact OG-CB 3.45Å; L203-R225 HydrophobicContact CD1-CB 3.79Å; L203-R225 HydrophobicContact CD1-CG 4.36Å; L203-R225 HydrophobicContact CD2-CB 4Å; L203-R225 HydrophobicContact CG-CB 3.83Å; R225-L268 HydrophobicContact CG-CD2 4.12Å; R225-D280 IonicContact CZ-OD1 3.75Å; R225-D280 IonicContact CZ-OD2 2.85Å; R225-D280 IonicContact NE-OD1 3.84Å; R225-D280 PolarHBondContact NE-OD1 3.46Å; R225-D280 IonicContact NE-OD2 3.74Å; R225-D280 PolarHBondContact NE-OD2 3.31Å; R225-D280 IonicContact NH2-OD1 2.86Å; R225-D280 IonicContact NH2-OD2 3.44Å; R225-D280 PolarHBondContact NH2-OD2 2.85Å |
| 226 | L | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 150.6 | 176.2 | -48.9 | 177.2 | 0 | 0 | 0 | 109.4 | A146 V147 L148 A185 V186 V189 K198 F199 C224 | A146-L226 PolarHBondContact O-N 2.99Å; V147-L226 WeakPolarHBondContact CA-O 3.35Å; V147-L226 HydrophobicContact CG2-CB 4.24Å; V147-L226 HydrophobicContact CG2-CD1 4.04Å; L148-L226 PolarHBondContact N-O 3.15Å; A185-L226 HydrophobicContact CB-CD1 4.2Å; A185-L226 HydrophobicContact CB-CD2 4.09Å; V186-L226 HydrophobicContact CG2-CD2 4.2Å; V189-L226 HydrophobicContact CB-CD1 4.45Å; V189-L226 HydrophobicContact CG2-CD1 3.62Å; K198-L226 CarbonylContact O-C 3.13Å; K198-L226 VanDerWaalsContact O-CA 3.28Å; K198-L226 WeakPolarHBondContact O-CA 3.47Å; F199-L226 VanDerWaalsContact CA-CD2 3.46Å; F199-L226 HydrophobicContact CB-CD2 4.03Å; F199-L226 HydrophobicContact CD2-CD2 3.94Å; F199-L226 HydrophobicContact CG-CD2 4.45Å; C224-L226 HydrophobicContact CB-CD2 4.13Å |
| 227 | S | 98.7 | Very high | 96.7 | Very high | 12 Ų | 12 | 48.9 Ų | 48.9 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 138.7 | 167 | 62.9 | 0 | 0 | 0 | 0 | 110 | S197 K198 R200 | S197-S227 CarbonylContact C-O 3.58Å; S197-S227 VanDerWaalsContact CA-O 3.28Å; S197-S227 WeakPolarHBondContact CA-O 3.13Å; K198-S227 PolarHBondContact N-O 3.12Å; K198-S227 PolarHBondContact O-N 3.37Å; R200-S227 VanDerWaalsContact CZ-OG 3.31Å; R200-S227 PolarHBondContact NE-OG 2.72Å; R200-S227 PolarHBondContact NH2-OG 2.87Å |
| 228 | P | 98.7 | Very high | 96.6 | Very high | 16 Ų | 16 | 52.4 Ų | 52.4 | 10% | 0.104 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 147.8 | 174.1 | 26.4 | -31.3 | 0 | 0 | 0 | 111.6 | V147 L148 D149 T230 Y231 W245 | V147-P228 HydrophobicContact CG1-CB 3.89Å; V147-P228 HydrophobicContact CG1-CG 4.37Å; L148-P228 WeakPolarHBondContact O-CD 3.36Å; D149-P228 HydrophobicContact CB-CG 4.12Å; P228-T230 WeakPolarHBondContact CB-O 3.46Å; P228-Y231 HydrophobicContact CB-CE1 4.18Å; P228-Y231 HydrophobicContact CG-CE1 3.81Å; P228-W245 HydrophobicContact CB-CH2 3.91Å; P228-W245 HydrophobicContact CB-CZ2 4.36Å; P228-W245 HydrophobicContact CG-CH2 4.16Å |
| 229 | L | 98.8 | Very high | 96.3 | Very high | 107 Ų | 107 | 56 Ų | 56 | 56% | 0.56 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -112 | -20.1 | 166.4 | -59.7 | 176.6 | 0 | 0 | 0 | 111.1 | R196 K198 | R196-L229 HydrophobicContact CB-CB 4.13Å; R196-L229 WeakPolarHBondContact O-CB 3.36Å; R196-L229 PolarHBondContact O-N 2.85Å; K198-L229 HydrophobicContact CB-CD1 4.36Å; K198-L229 HydrophobicContact CB-CD2 4.29Å; K198-L229 HydrophobicContact CB-CG 4.37Å |
| 230 | T | 98.6 | Very high | 96.2 | Very high | 28 Ų | 28 | 55.9 Ų | 55.9 | 17% | 0.172 | 28% | 0.282 | C | S | . | . | trans | -136.2 | 165 | 171.1 | 59.1 | 0 | 0 | 0 | 0 | 109.4 | V195 R196 P228 | V195-T230 WeakPolarHBondContact CG1-O 3.43Å; R196-T230 HydrophobicContact CB-CG2 4.23Å; R196-T230 PolarHBondContact N-OG1 2.83Å; R196-T230 VanDerWaalsContact NH2-CG2 3.31Å; R196-T230 PolarHBondContact O-N 3.39Å; P228-T230 WeakPolarHBondContact CB-O 3.46Å | ||
| 231 | Y | 98.3 | Very high | 96.1 | Very high | 121 Ų | 121 | 56.5 Ų | 56.5 | 48% | 0.475 | 29% | 0.286 | S | S | . | . | trans | -123.9 | -25.2 | -174.6 | -61.4 | -89.2 | 0 | 0 | 0 | 113.3 | D149 P228 I233 W245 | D149-Y231 HydrophobicContact CB-CE1 4.3Å; P228-Y231 HydrophobicContact CB-CE1 4.18Å; P228-Y231 HydrophobicContact CG-CE1 3.81Å; Y231-I233 PolarHBondContact O-N 2.89Å; Y231-W245 HydrophobicContact CD1-CZ2 4.45Å; Y231-W245 PolarHBondContact O-NE1 2.88Å | ||
| 232 | D | 98.1 | Very high | 96 | Very high | 144 Ų | 144 | 60.6 Ų | 60.6 | 77% | 0.77 | 30% | 0.301 | S | S | * | . | trans | -65.2 | 129 | 176.3 | -60.8 | -46.7 | 0 | 0 | 0 | 110.6 | ||||
| 233 | I | 98.4 | Very high | 96 | Very high | 56 Ų | 56 | 60.5 Ų | 60.5 | 29% | 0.287 | 30% | 0.302 | S | S | . | . | trans | -93.2 | 128.5 | 179.2 | -62.5 | 175.6 | 0 | 0 | 0 | 108.6 | L156 V195 Y231 F235 C243 W245 | L156-I233 HydrophobicContact CD1-CD1 3.75Å; L156-I233 HydrophobicContact CD1-CG1 4.07Å; V195-I233 HydrophobicContact CG2-CG1 4.24Å; Y231-I233 PolarHBondContact O-N 2.89Å; I233-F235 HydrophobicContact CG2-CB 4.06Å; I233-F235 HydrophobicContact CG2-CD1 4Å; I233-C243 HydrophobicContact CG2-CB 3.77Å; I233-C243 VanDerWaalsContact CG2-SG 3.59Å; I233-W245 HydrophobicContact CD1-CG 4.48Å | ||
| 234 | N | 96.9 | Very high | 96 | Very high | 134 Ų | 134 | 63.2 Ų | 63.2 | 72% | 0.717 | 31% | 0.314 | S | S | * | . | trans | -134.3 | 75.2 | 169.1 | 180 | 38.1 | 0 | 0 | 0 | 108.2 | T193 G194 | T193-N234 CarbonylContact C-O 3.6Å; T193-N234 CarbonylContact O-C 3.55Å; T193-N234 VanDerWaalsContact O-C 3.24Å; T193-N234 PolarHBondContact O-N 2.85Å; G194-N234 PolarHBondContact N-O 2.83Å | ||
| 235 | F | 94.9 | Very high | 96 | Very high | 71 Ų | 71 | 65.4 Ų | 65.4 | 31% | 0.311 | 32% | 0.323 | S | S | . | . | trans | -78.4 | 154.3 | -169.5 | 72.3 | -93.7 | 0 | 0 | 0 | 113 | E192 I233 P237 C240 C243 | E192-F235 CarbonylContact O-C 3.49Å; E192-F235 WeakPolarHBondContact O-CA 3.39Å; E192-F235 VanDerWaalsContact O-CB 3.31Å; E192-F235 WeakPolarHBondContact O-CB 3.37Å; I233-F235 HydrophobicContact CG2-CB 4.06Å; I233-F235 HydrophobicContact CG2-CD1 4Å; F235-P237 VanDerWaalsContact O-CD 3.24Å; F235-P237 WeakPolarHBondContact O-CD 3.36Å; F235-C240 HydrophobicContact CD2-CB 3.87Å; F235-C240 HydrophobicContact CE2-CB 4.49Å; F235-C243 HydrophobicContact CB-CB 3.53Å; F235-C243 HydrophobicContact CD1-CB 3.88Å; F235-C243 HydrophobicContact CG-CB 3.78Å | ||
| 236 | C | 93.1 | Very high | 95.9 | Very high | 27 Ų | 27 | 65.2 Ų | 65.2 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | trans | -75 | 112.2 | 178.6 | -179 | 0 | 0 | 0 | 0 | 111.3 | E192 H238 E239 C240 | E192-C236 PolarHBondContact O-N 2.91Å; C236-H238 PolarHBondContact O-N 2.88Å; C236-E239 HydrophobicContact CB-CB 4.49Å; C236-E239 PolarHBondContact O-N 2.77Å; C236-C240 PolarHBondContact O-N 3.27Å | ||
| 237 | P | 91.3 | Very high | 95.9 | Very high | 78 Ų | 78 | 67 Ų | 67 | 51% | 0.506 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -6.1 | -177.2 | 32.4 | -37.1 | 0 | 0 | 0 | 113.8 | K161 F235 | K161-P237 WeakPolarHBondContact CD-O 3.47Å; K161-P237 PolarHBondContact NZ-O 2.93Å; F235-P237 VanDerWaalsContact O-CD 3.24Å; F235-P237 WeakPolarHBondContact O-CD 3.36Å |
| 238 | H | 89 | Confident | 95.9 | Very high | 149 Ų | 149 | 66.4 Ų | 66.4 | 69% | 0.69 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -33.7 | 173.7 | -63.9 | 91.2 | 0 | 0 | 0 | 111.4 | C236 | C236-H238 PolarHBondContact O-N 2.88Š|
| 239 | E | 87.1 | Confident | 95.9 | Very high | 94 Ų | 94 | 68.2 Ų | 68.2 | 44% | 0.439 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -43.5 | -174.6 | -64.6 | -173.2 | -152.3 | 0 | 0 | 112 | K161 C236 | K161-E239 WeakPolarHBondContact CB-O 3.48Å; K161-E239 PolarHBondContact N-O 2.87Å; C236-E239 HydrophobicContact CB-CB 4.49Å; C236-E239 PolarHBondContact O-N 2.77Å |
| 240 | C | 91.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.014 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 141.4 | -174.8 | -48.1 | 0 | 0 | 0 | 0 | 111.8 | Q159 F235 C236 | Q159-C240 CarbonylContact O-C 3.44Å; Q159-C240 WeakPolarHBondContact O-CA 3.24Å; F235-C240 HydrophobicContact CD2-CB 3.87Å; F235-C240 HydrophobicContact CE2-CB 4.49Å; C236-C240 PolarHBondContact O-N 3.27Å |
| 241 | L | 93.6 | Very high | 95.8 | Very high | 76 Ų | 76 | 66.6 Ų | 66.6 | 40% | 0.398 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | -40.1 | 168.4 | -179 | 63.6 | 0 | 0 | 0 | 111.5 | Q159 K161 | Q159-L241 HydrophobicContact CB-CB 4.47Å; Q159-L241 PolarHBondContact O-N 2.88Å; K161-L241 HydrophobicContact CB-CB 4.47Å |
| 242 | R | 95.8 | Very high | 95.8 | Very high | 126 Ų | 126 | 61 Ų | 61 | 48% | 0.475 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 152.4 | 178.7 | -61.6 | -177.1 | 77.6 | 153.1 | 0.1 | 110 | V158 Q159 W168 E244 | V158-R242 CarbonylContact C-O 3.51Å; V158-R242 VanDerWaalsContact CA-O 3.28Å; V158-R242 WeakPolarHBondContact CA-O 3.46Å; Q159-R242 HydrophobicContact CB-CB 4.38Å; Q159-R242 PolarHBondContact N-O 2.76Å; W168-R242 HydrophobicContact CH2-CB 3.79Å; W168-R242 HydrophobicContact CZ3-CB 4.03Å; R242-E244 IonicContact CZ-OE1 3.63Å; R242-E244 IonicContact NE-OE1 2.65Å; R242-E244 PolarHBondContact NE-OE1 3.46Å; R242-E244 IonicContact NH2-OE1 2.61Å; R242-E244 PolarHBondContact NH2-OE1 3.37Å |
| 243 | C | 97.6 | Very high | 95.7 | Very high | 11 Ų | 11 | 62.1 Ų | 62.1 | 7% | 0.074 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 125.1 | 170.7 | -178.5 | 0 | 0 | 0 | 0 | 109 | V157 V158 I233 F235 | V157-C243 CarbonylContact O-C 3.56Å; V157-C243 VanDerWaalsContact O-CA 3.3Å; V157-C243 WeakPolarHBondContact O-CA 3.29Å; V158-C243 HydrophobicContact CG1-CB 4.06Å; I233-C243 HydrophobicContact CG2-CB 3.77Å; I233-C243 VanDerWaalsContact CG2-SG 3.59Å; F235-C243 HydrophobicContact CB-CB 3.53Å; F235-C243 HydrophobicContact CD1-CB 3.88Å; F235-C243 HydrophobicContact CG-CB 3.78Å |
| 244 | E | 98.1 | Very high | 95.5 | Very high | 60 Ų | 60 | 61.3 Ų | 61.3 | 28% | 0.28 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 153 | -170.6 | -66.8 | -177.9 | -155.5 | 0 | 0 | 112.4 | V157 W168 R242 | V157-E244 WeakPolarHBondContact CG2-O 3.36Å; V157-E244 PolarHBondContact N-O 2.82Å; V157-E244 PolarHBondContact O-N 3.5Å; W168-E244 HydrophobicContact CH2-CB 4.1Å; W168-E244 HydrophobicContact CH2-CG 3.91Å; W168-E244 HydrophobicContact CZ3-CB 4.35Å; W168-E244 HydrophobicContact CZ3-CG 4.46Å; R242-E244 IonicContact CZ-OE1 3.63Å; R242-E244 IonicContact NE-OE1 2.65Å; R242-E244 PolarHBondContact NE-OE1 3.46Å; R242-E244 IonicContact NH2-OE1 2.61Å; R242-E244 PolarHBondContact NH2-OE1 3.37Å |
| 245 | W | 98.6 | Very high | 95.3 | Very high | 47 Ų | 47 | 60.5 Ų | 60.5 | 18% | 0.178 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 100.3 | 165.2 | -72.3 | 107.1 | 0 | 0 | 0 | 109.4 | V147 D149 K154 L156 V195 P228 Y231 I233 | V147-W245 HydrophobicContact CB-CH2 4.25Å; V147-W245 HydrophobicContact CG1-CH2 3.77Å; V147-W245 HydrophobicContact CG1-CZ3 4.38Å; V147-W245 WeakPolarHBondContact O-CZ3 3.37Å; D149-W245 HydrophobicContact CB-CZ3 4.3Å; K154-W245 HydrophobicContact CB-CB 4.27Å; K154-W245 HydrophobicContact CB-CE3 4.32Å; K154-W245 HydrophobicContact CD-CB 4.1Å; L156-W245 HydrophobicContact CB-CD2 4.46Å; L156-W245 HydrophobicContact CB-CE3 4.06Å; L156-W245 HydrophobicContact CB-CH2 3.95Å; L156-W245 HydrophobicContact CB-CZ2 4.37Å; L156-W245 HydrophobicContact CB-CZ3 3.8Å; L156-W245 HydrophobicContact CD1-CD2 4.02Å; L156-W245 HydrophobicContact CD1-CE3 4.46Å; L156-W245 HydrophobicContact CD1-CG 4.42Å; L156-W245 HydrophobicContact CD1-CH2 4.5Å; L156-W245 HydrophobicContact CD1-CZ2 4.08Å; V195-W245 HydrophobicContact CG1-CZ2 4.23Å; V195-W245 HydrophobicContact CG2-CZ2 4.38Å; P228-W245 HydrophobicContact CB-CH2 3.91Å; P228-W245 HydrophobicContact CB-CZ2 4.36Å; P228-W245 HydrophobicContact CG-CH2 4.16Å; Y231-W245 HydrophobicContact CD1-CZ2 4.45Å; Y231-W245 PolarHBondContact O-NE1 2.88Å; I233-W245 HydrophobicContact CD1-CG 4.48Å |
| 246 | L | 98.1 | Very high | 95.3 | Very high | 11 Ų | 11 | 59.9 Ų | 59.9 | 6% | 0.058 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 146.8 | -177.9 | -161.1 | 66.1 | 0 | 0 | 0 | 110.9 | K154 V155 V157 W168 V248 E250 L251 | K154-L246 CarbonylContact C-O 3.37Å; K154-L246 WeakPolarHBondContact CA-O 3.3Å; V155-L246 PolarHBondContact N-O 3.31Å; V155-L246 PolarHBondContact O-N 3.1Å; V157-L246 HydrophobicContact CG2-CB 3.73Å; V157-L246 HydrophobicContact CG2-CD2 4.32Å; W168-L246 HydrophobicContact CG-CD2 4.46Å; L246-V248 PolarHBondContact O-N 3.42Å; L246-E250 VanDerWaalsContact CD1-CD 3.4Å; L246-E250 HydrophobicContact CD1-CG 4.3Å; L246-E250 WeakPolarHBondContact CD1-OE1 3.29Å; L246-E250 VanDerWaalsContact CD1-OE2 3.31Å; L246-E250 WeakPolarHBondContact CD1-OE2 3.43Å; L246-E250 HydrophobicContact CD2-CG 4.48Å; L246-E250 HydrophobicContact CG-CB 4.42Å; L246-E250 HydrophobicContact CG-CG 4.33Å; L246-L251 HydrophobicContact CD2-CB 4.01Å; L246-L251 HydrophobicContact CD2-CD1 3.97Å |
| 247 | S | 98.5 | Very high | 95.3 | Very high | 36 Ų | 36 | 59.5 Ų | 59.5 | 25% | 0.252 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 137.2 | 170.4 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | S249 E250 L251 | S247-S249 VanDerWaalsContact C-N 3.27Å; S247-S249 PolarHBondContact O-N 3.09Å; S247-S249 PolarHBondContact OG-N 2.85Å; S247-S249 PolarHBondContact OG-OG 3.06Å; S247-E250 PolarHBondContact O-N 2.94Å; S247-L251 PolarHBondContact O-N 2.95Å |
| 248 | V | 98.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.2 | -37.3 | 175.4 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | L148 G153 V155 L246 L251 A252 A265 L268 L269 L272 | L148-V248 HydrophobicContact CD1-CG2 3.5Å; L148-V248 VanDerWaalsContact CD1-CG2 3.5Å; G153-V248 WeakPolarHBondContact O-CG2 3.18Å; G153-V248 PolarHBondContact O-N 2.89Å; V155-V248 HydrophobicContact CB-CG2 3.89Å; V155-V248 HydrophobicContact CG1-CG2 3.86Å; L246-V248 PolarHBondContact O-N 3.42Å; V248-L251 PolarHBondContact O-N 2.9Å; V248-A252 WeakPolarHBondContact O-CB 3.48Å; V248-A252 PolarHBondContact O-N 3.34Å; V248-A265 HydrophobicContact CG1-CB 4.45Å; V248-A265 WeakPolarHBondContact CG1-O 3.43Å; V248-L268 HydrophobicContact CG1-CB 3.89Å; V248-L269 HydrophobicContact CG1-CB 3.97Å; V248-L272 HydrophobicContact CB-CD1 4.31Å; V248-L272 HydrophobicContact CG2-CD1 4.22Å |
| 249 | S | 98 | Very high | 95.8 | Very high | 53 Ų | 53 | 56.7 Ų | 56.7 | 37% | 0.371 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 176.4 | 59.3 | 0 | 0 | 0 | 0 | 111.6 | S247 A252 E253 | S247-S249 VanDerWaalsContact C-N 3.27Å; S247-S249 PolarHBondContact O-N 3.09Å; S247-S249 PolarHBondContact OG-N 2.85Å; S247-S249 PolarHBondContact OG-OG 3.06Å; S249-A252 WeakPolarHBondContact O-CB 3.47Å; S249-A252 PolarHBondContact O-N 2.87Å; S249-E253 PolarHBondContact O-N 3.47Å |
| 250 | E | 98 | Very high | 96.3 | Very high | 101 Ų | 101 | 55.5 Ų | 55.5 | 47% | 0.472 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 176.1 | -176.8 | -177.3 | 168.5 | 0 | 0 | 111.4 | L246 S247 A252 E253 T254 | L246-E250 VanDerWaalsContact CD1-CD 3.4Å; L246-E250 HydrophobicContact CD1-CG 4.3Å; L246-E250 WeakPolarHBondContact CD1-OE1 3.29Å; L246-E250 VanDerWaalsContact CD1-OE2 3.31Å; L246-E250 WeakPolarHBondContact CD1-OE2 3.43Å; L246-E250 HydrophobicContact CD2-CG 4.48Å; L246-E250 HydrophobicContact CG-CB 4.42Å; L246-E250 HydrophobicContact CG-CG 4.33Å; S247-E250 PolarHBondContact O-N 2.94Å; E250-A252 PolarHBondContact O-N 3.38Å; E250-E253 PolarHBondContact O-N 2.97Å; E250-T254 WeakPolarHBondContact O-CB 3.48Å; E250-T254 PolarHBondContact O-N 3.24Å |
| 251 | L | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.1 | -31.5 | 177.4 | -172.9 | 61.3 | 0 | 0 | 0 | 112.6 | V155 V157 W168 F170 L246 S247 V248 E253 T254 T257 T261 A265 | V155-L251 HydrophobicContact CG1-CD2 3.61Å; V157-L251 HydrophobicContact CG1-CD1 4.21Å; V157-L251 HydrophobicContact CG1-CD2 3.66Å; W168-L251 HydrophobicContact CB-CD1 3.88Å; F170-L251 HydrophobicContact CE1-CD2 3.79Å; F170-L251 HydrophobicContact CZ-CD2 4.05Å; L246-L251 HydrophobicContact CD2-CB 4.01Å; L246-L251 HydrophobicContact CD2-CD1 3.97Å; S247-L251 PolarHBondContact O-N 2.95Å; V248-L251 PolarHBondContact O-N 2.9Å; L251-E253 VanDerWaalsContact C-N 3.29Å; L251-E253 PolarHBondContact O-N 3.22Å; L251-T254 HydrophobicContact CD1-CG2 4.34Å; L251-T257 HydrophobicContact CD1-CG2 4.47Å; L251-T261 HydrophobicContact CD1-CG2 3.99Å; L251-T261 HydrophobicContact CD2-CG2 4.01Å; L251-T261 HydrophobicContact CG-CG2 4.19Å; L251-A265 HydrophobicContact CB-CB 4.03Å; L251-A265 HydrophobicContact CD2-CB 3.97Å; L251-A265 HydrophobicContact CG-CB 3.86Å |
| 252 | A | 97.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 3% | 0.033 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.8 | -21.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V248 S249 E250 A265 R266 | V248-A252 WeakPolarHBondContact O-CB 3.48Å; V248-A252 PolarHBondContact O-N 3.34Å; S249-A252 WeakPolarHBondContact O-CB 3.47Å; S249-A252 PolarHBondContact O-N 2.87Å; E250-A252 PolarHBondContact O-N 3.38Å; A252-A265 HydrophobicContact CB-CB 3.97Å; A252-R266 HydrophobicContact CB-CG 3.72Å; A252-R266 PolarHBondContact O-NE 3.16Å; A252-R266 PolarHBondContact O-NH2 3.29Å |
| 253 | E | 97 | Very high | 96.9 | Very high | 168 Ų | 168 | 54.9 Ų | 54.9 | 79% | 0.785 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -111.3 | -28 | -174.1 | -66.5 | -176.1 | 171.8 | 0 | 0 | 113.5 | S249 E250 L251 | S249-E253 PolarHBondContact O-N 3.47Å; E250-E253 PolarHBondContact O-N 2.97Å; L251-E253 VanDerWaalsContact C-N 3.29Å; L251-E253 PolarHBondContact O-N 3.22Å |
| 254 | T | 94.1 | Very high | 96.9 | Very high | 39 Ų | 39 | 54.6 Ų | 54.6 | 24% | 0.239 | 30% | 0.297 | C | S | . | . | trans | -59.5 | 141.8 | -175.9 | -172.2 | 0 | 0 | 0 | 0 | 112.8 | E250 L251 S256 T257 | E250-T254 WeakPolarHBondContact O-CB 3.48Å; E250-T254 PolarHBondContact O-N 3.24Å; L251-T254 HydrophobicContact CD1-CG2 4.34Å; T254-S256 VanDerWaalsContact C-N 3.28Å; T254-S256 PolarHBondContact OG1-N 2.82Å; T254-T257 HydrophobicContact CG2-CG2 3.8Å; T254-T257 WeakPolarHBondContact O-CG2 3.46Å | ||
| 255 | S | 92.8 | Very high | 96.9 | Very high | 117 Ų | 117 | 51.7 Ų | 51.7 | 82% | 0.818 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -80.9 | -11.7 | 170.8 | 60.8 | 0 | 0 | 0 | 0 | 112.8 | T257 | S255-T257 PolarHBondContact O-N 3.37Å; S255-T257 VanDerWaalsContact O-N 3.16Å |
| 256 | S | 93.6 | Very high | 96.9 | Very high | 58 Ų | 58 | 55.5 Ų | 55.5 | 41% | 0.406 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -88.2 | 40.3 | 179.7 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | A167 W168 T254 | A167-S256 CarbonylContact C-O 3.55Å; A167-S256 WeakPolarHBondContact CA-O 3.47Å; W168-S256 VanDerWaalsContact CD1-O 3.29Å; W168-S256 PolarHBondContact N-O 2.83Å; T254-S256 VanDerWaalsContact C-N 3.28Å; T254-S256 PolarHBondContact OG1-N 2.82Å |
| 257 | T | 95 | Very high | 97 | Very high | 19 Ų | 19 | 57.6 Ų | 57.6 | 12% | 0.117 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -146.7 | 173.7 | 176.4 | -165.7 | 0 | 0 | 0 | 0 | 110.7 | W168 L251 T254 S255 T261 A262 | W168-T257 PolarHBondContact O-OG1 3.19Å; L251-T257 HydrophobicContact CD1-CG2 4.47Å; T254-T257 HydrophobicContact CG2-CG2 3.8Å; T254-T257 WeakPolarHBondContact O-CG2 3.46Å; S255-T257 PolarHBondContact O-N 3.37Å; S255-T257 VanDerWaalsContact O-N 3.16Å; T257-T261 WeakPolarHBondContact OG1-CB 3.2Å; T257-T261 VanDerWaalsContact OG1-CG2 3.24Å; T257-T261 WeakPolarHBondContact OG1-CG2 3.34Å; T257-A262 HydrophobicContact CG2-CB 3.83Å |
| 258 | T | 94.3 | Very high | 97 | Very high | 53 Ų | 53 | 55.9 Ų | 55.9 | 33% | 0.325 | 30% | 0.297 | S | S | . | . | trans | -86.1 | 154.3 | 176 | 82.3 | 0 | 0 | 0 | 0 | 111.1 | A167 I260 T261 A262 | A167-T258 HydrophobicContact CB-CG2 4.32Å; T258-I260 PolarHBondContact O-N 3.21Å; T258-T261 PolarHBondContact O-N 2.86Å; T258-T261 VanDerWaalsContact O-N 3.14Å; T258-T261 PolarHBondContact OG1-N 3.37Å; T258-T261 VanDerWaalsContact OG1-N 3.14Å; T258-T261 PolarHBondContact OG1-OG1 2.96Å; T258-A262 PolarHBondContact O-N 3.43Å | ||
| 259 | P | 95.8 | Very high | 97 | Very high | 115 Ų | 115 | 58 Ų | 58 | 75% | 0.747 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -56 | -34.3 | 176.4 | -27.7 | 35.7 | 0 | 0 | 0 | 114 | R263 | P259-R263 WeakPolarHBondContact O-CB 3.47Å; P259-R263 PolarHBondContact O-N 2.83Å |
| 260 | I | 96.5 | Very high | 97 | Very high | 68 Ų | 68 | 59.1 Ų | 59.1 | 35% | 0.349 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70.7 | -46.4 | 177.8 | -69.1 | 162.6 | 0 | 0 | 0 | 110.4 | R206 I223 T258 A262 R263 V264 | R206-I260 VanDerWaalsContact CD-CD1 3.45Å; R206-I260 HydrophobicContact CG-CD1 4.08Å; I223-I260 HydrophobicContact CD1-CG2 3.77Å; T258-I260 PolarHBondContact O-N 3.21Å; I260-A262 PolarHBondContact O-N 3.47Å; I260-R263 PolarHBondContact O-N 3.13Å; I260-V264 WeakPolarHBondContact O-CG2 3.47Å; I260-V264 PolarHBondContact O-N 2.82Å |
| 261 | T | 97.8 | Very high | 97 | Very high | 7 Ų | 7 | 54.4 Ų | 54.4 | 4% | 0.043 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.6 | -48.3 | 176.7 | -47.9 | 0 | 0 | 0 | 0 | 110.8 | F170 L251 T257 T258 R263 V264 A265 | F170-T261 HydrophobicContact CD2-CG2 4.42Å; F170-T261 HydrophobicContact CE1-CG2 4.43Å; F170-T261 HydrophobicContact CE2-CG2 3.98Å; F170-T261 HydrophobicContact CZ-CG2 3.99Å; L251-T261 HydrophobicContact CD1-CG2 3.99Å; L251-T261 HydrophobicContact CD2-CG2 4.01Å; L251-T261 HydrophobicContact CG-CG2 4.19Å; T257-T261 WeakPolarHBondContact OG1-CB 3.2Å; T257-T261 VanDerWaalsContact OG1-CG2 3.24Å; T257-T261 WeakPolarHBondContact OG1-CG2 3.34Å; T258-T261 PolarHBondContact O-N 2.86Å; T258-T261 VanDerWaalsContact O-N 3.14Å; T258-T261 PolarHBondContact OG1-N 3.37Å; T258-T261 VanDerWaalsContact OG1-N 3.14Å; T258-T261 PolarHBondContact OG1-OG1 2.96Å; T261-R263 VanDerWaalsContact C-N 3.31Å; T261-R263 PolarHBondContact O-N 3.36Å; T261-V264 PolarHBondContact O-N 2.66Å; T261-A265 WeakPolarHBondContact O-CB 3.27Å; T261-A265 PolarHBondContact O-N 3.49Å |
| 262 | A | 97.9 | Very high | 97 | Very high | 9 Ų | 9 | 57.1 Ų | 57.1 | 7% | 0.074 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.2 | -38.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T257 T258 I260 A265 R266 | T257-A262 HydrophobicContact CG2-CB 3.83Å; T258-A262 PolarHBondContact O-N 3.43Å; I260-A262 PolarHBondContact O-N 3.47Å; A262-A265 PolarHBondContact O-N 2.85Å; A262-R266 WeakPolarHBondContact O-CG 3.41Å; A262-R266 PolarHBondContact O-N 3.09Å |
| 263 | R | 98.4 | Very high | 97 | Very high | 176 Ų | 176 | 62.9 Ų | 62.9 | 66% | 0.664 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.8 | -44.4 | 175.7 | 175.8 | 58.5 | 66.3 | 139.7 | 3.1 | 111.8 | P259 I260 T261 R266 L267 | P259-R263 WeakPolarHBondContact O-CB 3.47Å; P259-R263 PolarHBondContact O-N 2.83Å; I260-R263 PolarHBondContact O-N 3.13Å; T261-R263 VanDerWaalsContact C-N 3.31Å; T261-R263 PolarHBondContact O-N 3.36Å; R263-R266 PolarHBondContact O-N 3.42Å; R263-L267 PolarHBondContact O-N 3.21Å; R263-L267 VanDerWaalsContact O-N 3.08Å |
| 264 | V | 98.6 | Very high | 97.1 | Very high | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.024 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.1 | -35.8 | 177.2 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | F170 L203 I223 I260 T261 R266 L267 L268 | F170-V264 HydrophobicContact CE2-CB 3.79Å; F170-V264 HydrophobicContact CE2-CG1 3.54Å; F170-V264 HydrophobicContact CZ-CB 4.29Å; F170-V264 HydrophobicContact CZ-CG1 3.91Å; L203-V264 HydrophobicContact CD1-CG1 4.11Å; I223-V264 HydrophobicContact CD1-CG2 3.75Å; I223-V264 HydrophobicContact CG2-CG1 4.08Å; I223-V264 HydrophobicContact CG2-CG2 4.5Å; I260-V264 WeakPolarHBondContact O-CG2 3.47Å; I260-V264 PolarHBondContact O-N 2.82Å; T261-V264 PolarHBondContact O-N 2.66Å; V264-R266 VanDerWaalsContact C-N 3.33Å; V264-R266 PolarHBondContact O-N 3.27Å; V264-L267 CarbonylContact O-C 3.58Å; V264-L267 WeakPolarHBondContact O-CA 3.26Å; V264-L267 WeakPolarHBondContact O-CB 3.32Å; V264-L267 PolarHBondContact O-N 3.12Å; V264-L268 HydrophobicContact CG1-CD1 4.42Å; V264-L268 HydrophobicContact CG1-CG 4.38Å; V264-L268 WeakPolarHBondContact O-CG 3.22Å; V264-L268 PolarHBondContact O-N 3.02Å |
| 265 | A | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.1 | -43.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V248 L251 A252 T261 A262 L267 L268 L269 | V248-A265 HydrophobicContact CG1-CB 4.45Å; V248-A265 WeakPolarHBondContact CG1-O 3.43Å; L251-A265 HydrophobicContact CB-CB 4.03Å; L251-A265 HydrophobicContact CD2-CB 3.97Å; L251-A265 HydrophobicContact CG-CB 3.86Å; A252-A265 HydrophobicContact CB-CB 3.97Å; T261-A265 WeakPolarHBondContact O-CB 3.27Å; T261-A265 PolarHBondContact O-N 3.49Å; A262-A265 PolarHBondContact O-N 2.85Å; A265-L267 VanDerWaalsContact C-N 3.3Å; A265-L267 PolarHBondContact O-N 3.38Å; A265-L268 PolarHBondContact O-N 3.09Å; A265-L269 WeakPolarHBondContact O-CB 3.23Å; A265-L269 PolarHBondContact O-N 3.27Å |
| 266 | R | 98.7 | Very high | 97.5 | Very high | 126 Ų | 126 | 55 Ų | 55 | 48% | 0.475 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.2 | -36.4 | 172 | -68.1 | -178.3 | -164.1 | 107.8 | 4.3 | 112.8 | A252 A262 R263 V264 L269 H270 | A252-R266 HydrophobicContact CB-CG 3.72Å; A252-R266 PolarHBondContact O-NE 3.16Å; A252-R266 PolarHBondContact O-NH2 3.29Å; A262-R266 WeakPolarHBondContact O-CG 3.41Å; A262-R266 PolarHBondContact O-N 3.09Å; R263-R266 PolarHBondContact O-N 3.42Å; V264-R266 VanDerWaalsContact C-N 3.33Å; V264-R266 PolarHBondContact O-N 3.27Å; R266-L269 PolarHBondContact O-N 2.97Å; R266-H270 PolarHBondContact O-N 3.17Å |
| 267 | L | 98.6 | Very high | 97.6 | Very high | 55 Ų | 55 | 55.7 Ų | 55.7 | 29% | 0.288 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.7 | -45 | 175.1 | -171.7 | 67 | 0 | 0 | 0 | 110.9 | L203 R263 V264 A265 L269 H270 G271 I279 | L203-L267 HydrophobicContact CB-CD2 4.22Å; L203-L267 HydrophobicContact CD2-CD2 4.46Å; R263-L267 PolarHBondContact O-N 3.21Å; R263-L267 VanDerWaalsContact O-N 3.08Å; V264-L267 CarbonylContact O-C 3.58Å; V264-L267 WeakPolarHBondContact O-CA 3.26Å; V264-L267 WeakPolarHBondContact O-CB 3.32Å; V264-L267 PolarHBondContact O-N 3.12Å; A265-L267 VanDerWaalsContact C-N 3.3Å; A265-L267 PolarHBondContact O-N 3.38Å; L267-L269 VanDerWaalsContact C-N 3.35Å; L267-L269 PolarHBondContact O-N 2.91Å; L267-H270 WeakPolarHBondContact O-CB 3.36Å; L267-H270 PolarHBondContact O-N 3.09Å; L267-G271 PolarHBondContact O-N 2.8Å; L267-I279 HydrophobicContact CD1-CB 3.79Å; L267-I279 HydrophobicContact CD1-CG2 3.46Å; L267-I279 VanDerWaalsContact CD1-CG2 3.46Å; L267-I279 HydrophobicContact CD2-CB 4.41Å; L267-I279 HydrophobicContact CG-CB 3.87Å; L267-I279 HydrophobicContact CG-CD1 4.15Å; L267-I279 HydrophobicContact CG-CG2 3.91Å; L267-I279 VanDerWaalsContact O-CD1 3.22Å; L267-I279 WeakPolarHBondContact O-CD1 3.5Å |
| 268 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 174.4 | -67.4 | 173 | 0 | 0 | 0 | 111.8 | A146 L148 V155 F170 L203 R225 V248 V264 A265 H270 G271 L272 I279 | A146-L268 HydrophobicContact CB-CD1 4.06Å; L148-L268 HydrophobicContact CD2-CD2 4.23Å; V155-L268 HydrophobicContact CG2-CD1 4.18Å; F170-L268 HydrophobicContact CZ-CD1 4.3Å; L203-L268 HydrophobicContact CD1-CD2 3.61Å; L203-L268 HydrophobicContact CD1-CG 4.37Å; R225-L268 HydrophobicContact CG-CD2 4.12Å; V248-L268 HydrophobicContact CG1-CB 3.89Å; V264-L268 HydrophobicContact CG1-CD1 4.42Å; V264-L268 HydrophobicContact CG1-CG 4.38Å; V264-L268 WeakPolarHBondContact O-CG 3.22Å; V264-L268 PolarHBondContact O-N 3.02Å; A265-L268 PolarHBondContact O-N 3.09Å; L268-H270 VanDerWaalsContact C-N 3.33Å; L268-H270 PolarHBondContact O-N 2.99Å; L268-G271 CarbonylContact O-C 3.58Å; L268-G271 WeakPolarHBondContact O-CA 3.45Å; L268-G271 PolarHBondContact O-N 3.29Å; L268-G271 VanDerWaalsContact O-N 3.11Å; L268-L272 PolarHBondContact O-N 3.23Å; L268-I279 HydrophobicContact CD2-CD1 4.47Å |
| 269 | L | 98.4 | Very high | 97.8 | Very high | 47 Ų | 47 | 58 Ų | 58 | 25% | 0.246 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 176.5 | -172 | 62.7 | 0 | 0 | 0 | 111.1 | V248 A265 R266 L267 G271 L272 E273 | V248-L269 HydrophobicContact CG1-CB 3.97Å; A265-L269 WeakPolarHBondContact O-CB 3.23Å; A265-L269 PolarHBondContact O-N 3.27Å; R266-L269 PolarHBondContact O-N 2.97Å; L267-L269 VanDerWaalsContact C-N 3.35Å; L267-L269 PolarHBondContact O-N 2.91Å; L269-G271 VanDerWaalsContact C-N 3.28Å; L269-G271 PolarHBondContact O-N 2.69Å; L269-L272 WeakPolarHBondContact O-CB 3.46Å; L269-L272 PolarHBondContact O-N 3.22Å; L269-L272 VanDerWaalsContact O-N 3.16Å; L269-E273 WeakPolarHBondContact O-CG 3.38Å; L269-E273 PolarHBondContact O-N 3.38Å |
| 270 | H | 98.6 | Very high | 97.9 | Very high | 76 Ų | 76 | 53.2 Ų | 53.2 | 35% | 0.352 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.8 | -40.5 | 174.1 | -175.3 | 66.6 | 0 | 0 | 0 | 112 | R266 L267 L268 E273 H274 | R266-H270 PolarHBondContact O-N 3.17Å; L267-H270 WeakPolarHBondContact O-CB 3.36Å; L267-H270 PolarHBondContact O-N 3.09Å; L268-H270 VanDerWaalsContact C-N 3.33Å; L268-H270 PolarHBondContact O-N 2.99Å; H270-E273 PolarHBondContact O-N 2.84Å; H270-H274 AromaticContact CE1-CG 3.56Å; H270-H274 AromaticContact CE1-ND1 3.45Å; H270-H274 PolarHBondContact CE1-ND1 2.97Å; H270-H274 AromaticContact CG-ND1 3.97Å; H270-H274 AromaticContact ND1-CE1 3.67Å; H270-H274 AromaticContact ND1-CG 3.74Å; H270-H274 AromaticContact ND1-ND1 3.13Å; H270-H274 PolarHBondContact ND1-ND1 3.16Å; H270-H274 VanDerWaalsContact ND1-ND1 3.13Å; H270-H274 WeakPolarHBondContact O-CB 3.47Å; H270-H274 PolarHBondContact O-N 2.85Å; H270-H274 PolarHBondContact O-ND1 3.25Å |
| 271 | G | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.3 | -38.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L267 L268 L269 E273 G275 F276 | L267-G271 PolarHBondContact O-N 2.8Å; L268-G271 CarbonylContact O-C 3.58Å; L268-G271 WeakPolarHBondContact O-CA 3.45Å; L268-G271 PolarHBondContact O-N 3.29Å; L268-G271 VanDerWaalsContact O-N 3.11Å; L269-G271 VanDerWaalsContact C-N 3.28Å; L269-G271 PolarHBondContact O-N 2.69Å; G271-E273 VanDerWaalsContact C-N 3.35Å; G271-G275 CarbonylContact O-C 3.24Å; G271-G275 WeakPolarHBondContact O-CA 3.32Å; G271-G275 PolarHBondContact O-N 3.34Å; G271-F276 PolarHBondContact O-N 3.27Å |
| 272 | L | 98.3 | Very high | 97.8 | Very high | 58 Ų | 58 | 53.7 Ų | 53.7 | 30% | 0.304 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 174.2 | -74.5 | 167.7 | 0 | 0 | 0 | 111.8 | L148 E150 V248 L268 L269 F276 | L148-L272 HydrophobicContact CD1-CD1 4.35Å; L148-L272 HydrophobicContact CD2-CD2 4.1Å; L148-L272 HydrophobicContact CD2-CG 4.23Å; E150-L272 HydrophobicContact CB-CD2 4.39Å; V248-L272 HydrophobicContact CB-CD1 4.31Å; V248-L272 HydrophobicContact CG2-CD1 4.22Å; L268-L272 PolarHBondContact O-N 3.23Å; L269-L272 WeakPolarHBondContact O-CB 3.46Å; L269-L272 PolarHBondContact O-N 3.22Å; L269-L272 VanDerWaalsContact O-N 3.16Å; L272-F276 HydrophobicContact CD2-CE2 4.39Å; L272-F276 HydrophobicContact CD2-CZ 3.81Å; L272-F276 HydrophobicContact CG-CZ 4.01Å |
| 273 | E | 98.1 | Very high | 97.7 | Very high | 124 Ų | 124 | 56.2 Ų | 56.2 | 58% | 0.579 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -81.9 | -35.6 | -176.1 | -70.3 | 169.1 | 175 | 0 | 0 | 113.4 | L269 H270 G271 | L269-E273 WeakPolarHBondContact O-CG 3.38Å; L269-E273 PolarHBondContact O-N 3.38Å; H270-E273 PolarHBondContact O-N 2.84Å; G271-E273 VanDerWaalsContact C-N 3.35Å |
| 274 | H | 98 | Very high | 97.5 | Very high | 106 Ų | 106 | 52.5 Ų | 52.5 | 49% | 0.491 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -122.9 | -0.3 | -167.3 | -54.6 | 84.3 | 0 | 0 | 0 | 114.1 | H270 | H270-H274 AromaticContact CE1-CG 3.56Å; H270-H274 AromaticContact CE1-ND1 3.45Å; H270-H274 PolarHBondContact CE1-ND1 2.97Å; H270-H274 AromaticContact CG-ND1 3.97Å; H270-H274 AromaticContact ND1-CE1 3.67Å; H270-H274 AromaticContact ND1-CG 3.74Å; H270-H274 AromaticContact ND1-ND1 3.13Å; H270-H274 PolarHBondContact ND1-ND1 3.16Å; H270-H274 VanDerWaalsContact ND1-ND1 3.13Å; H270-H274 WeakPolarHBondContact O-CB 3.47Å; H270-H274 PolarHBondContact O-N 2.85Å; H270-H274 PolarHBondContact O-ND1 3.25Å |
| 275 | G | 97.6 | Very high | 97.3 | Very high | 25 Ų | 25 | 57.2 Ų | 57.2 | 26% | 0.258 | 28% | 0.278 | S | S | . | . | trans | 101.1 | 135.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G271 D277 K278 | G271-G275 CarbonylContact O-C 3.24Å; G271-G275 WeakPolarHBondContact O-CA 3.32Å; G271-G275 PolarHBondContact O-N 3.34Å; G275-D277 PolarHBondContact O-N 3.07Å; G275-K278 WeakPolarHBondContact O-CB 3.25Å; G275-K278 WeakPolarHBondContact O-CG 3.21Å; G275-K278 PolarHBondContact O-N 3.38Å | ||
| 276 | F | 97.7 | Very high | 97.2 | Very high | 28 Ų | 28 | 59.8 Ų | 59.8 | 12% | 0.123 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -66.2 | -21.9 | 176.9 | -68.2 | -66.3 | 0 | 0 | 0 | 113.3 | L148 E150 G271 L272 K278 I279 D280 | L148-F276 HydrophobicContact CD2-CE1 3.65Å; L148-F276 HydrophobicContact CD2-CE2 4.48Å; L148-F276 HydrophobicContact CD2-CZ 3.38Å; E150-F276 HydrophobicContact CG-CE2 3.65Å; E150-F276 HydrophobicContact CG-CZ 3.93Å; E150-F276 WeakPolarHBondContact OE1-CE2 3.39Å; E150-F276 WeakPolarHBondContact OE2-CE2 3.22Å; G271-F276 PolarHBondContact O-N 3.27Å; L272-F276 HydrophobicContact CD2-CE2 4.39Å; L272-F276 HydrophobicContact CD2-CZ 3.81Å; L272-F276 HydrophobicContact CG-CZ 4.01Å; F276-K278 PolarHBondContact O-N 2.93Å; F276-I279 HydrophobicContact CD1-CD1 3.77Å; F276-I279 HydrophobicContact CD1-CG1 4.11Å; F276-I279 HydrophobicContact CE1-CD1 4.17Å; F276-I279 PolarHBondContact O-N 2.86Å; F276-D280 WeakPolarHBondContact O-CB 3.32Å; F276-D280 PolarHBondContact O-N 3.25Å |
| 277 | D | 95.1 | Very high | 97 | Very high | 72 Ų | 72 | 58.5 Ų | 58.5 | 39% | 0.385 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -57.2 | -10.4 | 169.1 | 76 | -72.6 | 0 | 0 | 0 | 111.9 | G275 R300 | G275-D277 PolarHBondContact O-N 3.07Å; D277-R300 VanDerWaalsContact C-NH1 3.31Å; D277-R300 PolarHBondContact O-NH1 3.43Å; D277-R300 PolarHBondContact O-NH2 3.24Å |
| 278 | K | 96.8 | Very high | 96.8 | Very high | 108 Ų | 108 | 56.4 Ų | 56.4 | 47% | 0.47 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -89.9 | -24.9 | 174.7 | -59.6 | -56.2 | -180 | -133.3 | 0 | 115.3 | G275 F276 R300 | G275-K278 WeakPolarHBondContact O-CB 3.25Å; G275-K278 WeakPolarHBondContact O-CG 3.21Å; G275-K278 PolarHBondContact O-N 3.38Å; F276-K278 PolarHBondContact O-N 2.93Å; K278-R300 VanDerWaalsContact CA-NH2 3.27Å; K278-R300 PolarHBondContact O-NH2 3.44Å |
| 279 | I | 97.6 | Very high | 96.3 | Very high | 13 Ų | 13 | 61.6 Ų | 61.6 | 7% | 0.067 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | -20.3 | -170.4 | 69.8 | 171.2 | 0 | 0 | 0 | 113.5 | L203 L267 L268 F276 | L203-I279 HydrophobicContact CD2-CD1 3.83Å; L203-I279 HydrophobicContact CD2-CG1 4Å; L267-I279 HydrophobicContact CD1-CB 3.79Å; L267-I279 HydrophobicContact CD1-CG2 3.46Å; L267-I279 VanDerWaalsContact CD1-CG2 3.46Å; L267-I279 HydrophobicContact CD2-CB 4.41Å; L267-I279 HydrophobicContact CG-CB 3.87Å; L267-I279 HydrophobicContact CG-CD1 4.15Å; L267-I279 HydrophobicContact CG-CG2 3.91Å; L267-I279 VanDerWaalsContact O-CD1 3.22Å; L267-I279 WeakPolarHBondContact O-CD1 3.5Å; L268-I279 HydrophobicContact CD2-CD1 4.47Å; F276-I279 HydrophobicContact CD1-CD1 3.77Å; F276-I279 HydrophobicContact CD1-CG1 4.11Å; F276-I279 HydrophobicContact CE1-CD1 4.17Å; F276-I279 PolarHBondContact O-N 2.86Å |
| 280 | D | 98 | Very high | 95.5 | Very high | 15 Ų | 15 | 68 Ų | 68 | 8% | 0.08 | 34% | 0.344 | C | S | . | . | trans | -74.1 | 135.7 | -176.2 | -76.2 | -12.4 | 0 | 0 | 0 | 111.9 | S201 R225 F276 R300 | S201-D280 WeakPolarHBondContact CB-OD1 3.23Å; S201-D280 PolarHBondContact OG-OD1 3.27Å; R225-D280 IonicContact CZ-OD1 3.75Å; R225-D280 IonicContact CZ-OD2 2.85Å; R225-D280 IonicContact NE-OD1 3.84Å; R225-D280 PolarHBondContact NE-OD1 3.46Å; R225-D280 IonicContact NE-OD2 3.74Å; R225-D280 PolarHBondContact NE-OD2 3.31Å; R225-D280 IonicContact NH2-OD1 2.86Å; R225-D280 IonicContact NH2-OD2 3.44Å; R225-D280 PolarHBondContact NH2-OD2 2.85Å; F276-D280 WeakPolarHBondContact O-CB 3.32Å; F276-D280 PolarHBondContact O-N 3.25Å; D280-R300 PolarHBondContact O-NH1 3.31Å | ||
| 281 | L | 98.1 | Very high | 94.8 | Very high | 49 Ų | 49 | 67.9 Ų | 67.9 | 26% | 0.257 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 109.9 | 157 | -54.2 | 175.1 | 0 | 0 | 0 | 107.5 | L202 H299 | L202-L281 HydrophobicContact CB-CB 4.14Å; L202-L281 HydrophobicContact CD2-CD1 4.16Å; L202-L281 HydrophobicContact CG-CD1 4.37Å; L202-L281 PolarHBondContact N-O 3.36Å; L202-L281 VanDerWaalsContact O-CB 3.32Å; L202-L281 WeakPolarHBondContact O-CB 3.32Å; L202-L281 PolarHBondContact O-N 3.21Å; L281-H299 CarbonylContact C-O 3.49Å; L281-H299 VanDerWaalsContact CA-O 3.29Å; L281-H299 WeakPolarHBondContact CA-O 3.44Å |
| 282 | T | 94.4 | Very high | 94.3 | Very high | 35 Ų | 35 | 71.5 Ų | 71.5 | 22% | 0.215 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 155.7 | 178.6 | 49.6 | 0 | 0 | 0 | 0 | 111.1 | Y298 H299 Q301 | T282-Y298 CarbonylContact O-C 3.52Å; T282-Y298 VanDerWaalsContact O-CA 3.28Å; T282-Y298 WeakPolarHBondContact O-CA 3.24Å; T282-H299 PolarHBondContact N-O 3.48Å; T282-H299 PolarHBondContact O-N 2.96Å; T282-H299 PolarHBondContact OG1-O 3.18Å; T282-H299 VanDerWaalsContact OG1-O 3.1Å; T282-Q301 HydrophobicContact CG2-CB 3.83Å; T282-Q301 HydrophobicContact CG2-CG 4.2Å |
| 283 | M | 95.3 | Very high | 94 | Very high | 62 Ų | 62 | 74.9 Ų | 74.9 | 31% | 0.305 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 128.8 | 175.5 | -174.5 | -79.5 | -65.4 | 0 | 0 | 109.6 | F199 E285 Q296 L297 Y298 | F199-M283 HydrophobicContact CE1-CB 4.23Å; M283-E285 HydrophobicContact CE-CG 4.36Å; M283-E285 HydrophobicContact SD-CG 3.85Å; M283-Q296 HydrophobicContact CG-CB 3.96Å; M283-Q296 HydrophobicContact CG-CG 4.46Å; M283-Q296 HydrophobicContact SD-CB 4.01Å; M283-Q296 HydrophobicContact SD-CG 4.01Å; M283-L297 WeakPolarHBondContact CA-O 3.49Å; M283-Y298 HydrophobicContact CB-CD1 3.85Å; M283-Y298 HydrophobicContact CB-CE1 3.59Å; M283-Y298 HydrophobicContact CG-CD1 4.12Å; M283-Y298 HydrophobicContact CG-CD2 4.5Å; M283-Y298 HydrophobicContact CG-CE1 3.61Å; M283-Y298 HydrophobicContact CG-CE2 4.02Å |
| 284 | E | 94.2 | Very high | 93.7 | Very high | 99 Ų | 99 | 74.1 Ų | 74.1 | 46% | 0.463 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 137.1 | 170.8 | -175.6 | 176.8 | -170.4 | 0 | 0 | 109.9 | L286 L297 H299 | E284-L286 HydrophobicContact CG-CD2 4.07Å; E284-L286 HydrophobicContact CG-CG 4.23Å; E284-L297 PolarHBondContact N-O 3.28Å; E284-L297 PolarHBondContact O-N 3.04Å; E284-H299 IonicContact OE2-NE2 2.89Å |
| 285 | E | 95.2 | Very high | 93.5 | Very high | 102 Ų | 102 | 74.5 Ų | 74.5 | 48% | 0.477 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 126.3 | 171.4 | -69.3 | -168.8 | 160.3 | 0 | 0 | 110.6 | M283 Y295 Q296 | M283-E285 HydrophobicContact CE-CG 4.36Å; M283-E285 HydrophobicContact SD-CG 3.85Å; E285-Y295 VanDerWaalsContact CA-O 3.29Å; E285-Y295 WeakPolarHBondContact CA-O 3.47Å; E285-Q296 HydrophobicContact CG-CG 4.49Å |
| 286 | L | 94.8 | Very high | 93.4 | Very high | 54 Ų | 54 | 75.6 Ų | 75.6 | 28% | 0.283 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 144.5 | -178.7 | -65.7 | 174.5 | 0 | 0 | 0 | 110.8 | E284 A288 L294 Y295 L297 | E284-L286 HydrophobicContact CG-CD2 4.07Å; E284-L286 HydrophobicContact CG-CG 4.23Å; L286-A288 PolarHBondContact O-N 3.2Å; L286-L294 CarbonylContact O-C 3.6Å; L286-L294 WeakPolarHBondContact O-CA 3.44Å; L286-Y295 PolarHBondContact N-O 3.35Å; L286-Y295 PolarHBondContact O-N 2.92Å; L286-L297 HydrophobicContact CD1-CB 4.05Å; L286-L297 HydrophobicContact CD1-CD2 3.62Å; L286-L297 HydrophobicContact CD1-CG 4.46Å |
| 287 | P | 95.8 | Very high | 93.4 | Very high | 100 Ų | 100 | 78.2 Ų | 78.2 | 65% | 0.649 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 134.9 | 177.7 | 28.2 | -34.1 | 0 | 0 | 0 | 111.6 | ||
| 288 | A | 92.9 | Very high | 93.5 | Very high | 10 Ų | 10 | 77 Ų | 77 | 8% | 0.083 | 41% | 0.406 | C | S | . | . | trans | -75.9 | 136.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | L286 Y290 S291 M293 Y295 | L286-A288 PolarHBondContact O-N 3.2Å; A288-Y290 VanDerWaalsContact C-N 3.34Å; A288-Y290 PolarHBondContact O-N 3.24Å; A288-S291 VanDerWaalsContact CB-OG 3.29Å; A288-S291 WeakPolarHBondContact CB-OG 3.46Å; A288-M293 HydrophobicContact CB-CB 4.37Å; A288-M293 WeakPolarHBondContact CB-O 2.97Å; A288-M293 PolarHBondContact N-O 3.17Å; A288-Y295 VanDerWaalsContact CA-CE2 3.43Å; A288-Y295 HydrophobicContact CB-CD1 4.31Å; A288-Y295 HydrophobicContact CB-CD2 4.28Å; A288-Y295 HydrophobicContact CB-CE1 3.81Å; A288-Y295 HydrophobicContact CB-CE2 3.8Å | ||
| 289 | V | 89.6 | Confident | 93.4 | Very high | 110 Ų | 110 | 74 Ų | 74 | 67% | 0.667 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -33.2 | -172.8 | -177.4 | 0 | 0 | 0 | 0 | 112.6 | ||
| 290 | Y | 81.3 | Confident | 93.3 | Very high | 180 Ų | 180 | 78.1 Ų | 78.1 | 71% | 0.706 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120 | -13.6 | -166 | -60.7 | -65.2 | 0 | 0 | 0 | 115.7 | A288 | A288-Y290 VanDerWaalsContact C-N 3.34Å; A288-Y290 PolarHBondContact O-N 3.24Å |
| 291 | S | 84.4 | Confident | 92.9 | Very high | 75 Ų | 75 | 82.7 Ų | 82.7 | 52% | 0.524 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -9 | -171 | 56.9 | 0 | 0 | 0 | 0 | 114 | A288 M293 | A288-S291 VanDerWaalsContact CB-OG 3.29Å; A288-S291 WeakPolarHBondContact CB-OG 3.46Å; S291-M293 PolarHBondContact O-N 3.39Å; S291-M293 WeakPolarHBondContact OG-CB 3.28Å; S291-M293 PolarHBondContact OG-N 3.33Å |
| 292 | G | 87.4 | Confident | 92.3 | Very high | 77 Ų | 77 | 86.3 Ų | 86.3 | 79% | 0.794 | 45% | 0.448 | S | S | * | . | S | Bend | trans | 66.1 | 8.5 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 293 | M | 91.1 | Very high | 91.8 | Very high | 129 Ų | 129 | 90.3 Ų | 90.3 | 64% | 0.635 | 48% | 0.475 | S | S | * | . | trans | -88.9 | -179.1 | 176.5 | -57.9 | -63.8 | -69.9 | 0 | 0 | 110.8 | A288 S291 | A288-M293 HydrophobicContact CB-CB 4.37Å; A288-M293 WeakPolarHBondContact CB-O 2.97Å; A288-M293 PolarHBondContact N-O 3.17Å; S291-M293 PolarHBondContact O-N 3.39Å; S291-M293 WeakPolarHBondContact OG-CB 3.28Å; S291-M293 PolarHBondContact OG-N 3.33Å | ||
| 294 | L | 93.4 | Very high | 91 | Very high | 107 Ų | 107 | 92 Ų | 92 | 56% | 0.56 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 147.4 | 172.4 | -59.6 | 174.9 | 0 | 0 | 0 | 110.6 | L286 | L286-L294 CarbonylContact O-C 3.6Å; L286-L294 WeakPolarHBondContact O-CA 3.44Å |
| 295 | Y | 93.9 | Very high | 90 | Very high | 115 Ų | 115 | 97.3 Ų | 97.3 | 45% | 0.451 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 143 | 162.9 | -59.9 | -50.8 | 0 | 0 | 0 | 109.4 | E285 L286 A288 | E285-Y295 VanDerWaalsContact CA-O 3.29Å; E285-Y295 WeakPolarHBondContact CA-O 3.47Å; L286-Y295 PolarHBondContact N-O 3.35Å; L286-Y295 PolarHBondContact O-N 2.92Å; A288-Y295 VanDerWaalsContact CA-CE2 3.43Å; A288-Y295 HydrophobicContact CB-CD1 4.31Å; A288-Y295 HydrophobicContact CB-CD2 4.28Å; A288-Y295 HydrophobicContact CB-CE1 3.81Å; A288-Y295 HydrophobicContact CB-CE2 3.8Å |
| 296 | Q | 95.3 | Very high | 87.7 | Confident | 48 Ų | 48 | 101.5 Ų | 101.5 | 22% | 0.224 | 56% | 0.56 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.4 | 106.1 | 160.2 | -63.9 | -164.5 | -52.7 | 0 | 0 | 108.3 | N180 M283 E285 Y298 | N180-Q296 VanDerWaalsContact CB-OE1 3.27Å; N180-Q296 VanDerWaalsContact CG-CD 3.46Å; N180-Q296 VanDerWaalsContact CG-OE1 3.22Å; N180-Q296 PolarHBondContact ND2-NE2 2.67Å; N180-Q296 PolarHBondContact OD1-OE1 3.17Å; M283-Q296 HydrophobicContact CG-CB 3.96Å; M283-Q296 HydrophobicContact CG-CG 4.46Å; M283-Q296 HydrophobicContact SD-CB 4.01Å; M283-Q296 HydrophobicContact SD-CG 4.01Å; E285-Q296 HydrophobicContact CG-CG 4.49Å; Q296-Y298 HydrophobicContact CB-CE2 3.7Å; Q296-Y298 WeakPolarHBondContact O-CD2 3.07Å; Q296-Y298 PolarHBondContact OE1-OH 3.01Å |
| 297 | L | 96.3 | Very high | 87.3 | Confident | 82 Ų | 82 | 103.9 Ų | 103.9 | 43% | 0.429 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.8 | 117.1 | -179.2 | -171.6 | 68.2 | 0 | 0 | 0 | 109.9 | M283 E284 L286 | M283-L297 WeakPolarHBondContact CA-O 3.49Å; E284-L297 PolarHBondContact N-O 3.28Å; E284-L297 PolarHBondContact O-N 3.04Å; L286-L297 HydrophobicContact CD1-CB 4.05Å; L286-L297 HydrophobicContact CD1-CD2 3.62Å; L286-L297 HydrophobicContact CD1-CG 4.46Å |
| 298 | Y | 97 | Very high | 86.9 | Confident | 47 Ų | 47 | 104.1 Ų | 104.1 | 18% | 0.184 | 57% | 0.57 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.8 | 121.4 | 177.8 | -64 | -95.1 | 0 | 0 | 0 | 110.3 | I181 F199 L202 T282 M283 Q296 | I181-Y298 HydrophobicContact CD1-CD2 4.32Å; I181-Y298 HydrophobicContact CD1-CE2 3.57Å; F199-Y298 AromaticContact CZ-CE1 3.96Å; F199-Y298 HydrophobicContact CZ-CE1 3.96Å; L202-Y298 HydrophobicContact CB-CD1 3.69Å; L202-Y298 HydrophobicContact CB-CE1 4.19Å; L202-Y298 HydrophobicContact CD2-CD1 4.05Å; L202-Y298 HydrophobicContact CD2-CG 4.13Å; L202-Y298 HydrophobicContact CG-CD1 4.49Å; T282-Y298 CarbonylContact O-C 3.52Å; T282-Y298 VanDerWaalsContact O-CA 3.28Å; T282-Y298 WeakPolarHBondContact O-CA 3.24Å; M283-Y298 HydrophobicContact CB-CD1 3.85Å; M283-Y298 HydrophobicContact CB-CE1 3.59Å; M283-Y298 HydrophobicContact CG-CD1 4.12Å; M283-Y298 HydrophobicContact CG-CD2 4.5Å; M283-Y298 HydrophobicContact CG-CE1 3.61Å; M283-Y298 HydrophobicContact CG-CE2 4.02Å; Q296-Y298 HydrophobicContact CB-CE2 3.7Å; Q296-Y298 WeakPolarHBondContact O-CD2 3.07Å; Q296-Y298 PolarHBondContact OE1-OH 3.01Å |
| 299 | H | 96.4 | Very high | 86.5 | Confident | 46 Ų | 46 | 109.3 Ų | 109.3 | 21% | 0.213 | 60% | 0.597 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -156.1 | 169.4 | -179.5 | 62.5 | 90.3 | 0 | 0 | 0 | 111.5 | L281 T282 E284 Q301 | L281-H299 CarbonylContact C-O 3.49Å; L281-H299 VanDerWaalsContact CA-O 3.29Å; L281-H299 WeakPolarHBondContact CA-O 3.44Å; T282-H299 PolarHBondContact N-O 3.48Å; T282-H299 PolarHBondContact O-N 2.96Å; T282-H299 PolarHBondContact OG1-O 3.18Å; T282-H299 VanDerWaalsContact OG1-O 3.1Å; E284-H299 IonicContact OE2-NE2 2.89Å; H299-Q301 PolarHBondContact O-N 3.17Å |
| 300 | R | 95.4 | Very high | 86.4 | Confident | 98 Ų | 98 | 109.2 Ų | 109.2 | 37% | 0.37 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -60.6 | 135.8 | 172.3 | -165.6 | 67.1 | 170.8 | 104.5 | 26.6 | 110.3 | D277 K278 D280 L302 | D277-R300 VanDerWaalsContact C-NH1 3.31Å; D277-R300 PolarHBondContact O-NH1 3.43Å; D277-R300 PolarHBondContact O-NH2 3.24Å; K278-R300 VanDerWaalsContact CA-NH2 3.27Å; K278-R300 PolarHBondContact O-NH2 3.44Å; D280-R300 PolarHBondContact O-NH1 3.31Å; R300-L302 PolarHBondContact O-N 2.78Å; R300-L302 VanDerWaalsContact O-N 3.12Å |
| 301 | Q | 88.9 | Confident | 86.7 | Confident | 112 Ų | 112 | 104.8 Ų | 104.8 | 52% | 0.523 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -53.1 | 124 | 175.8 | -171.3 | 174.7 | 3.8 | 0 | 0 | 109.9 | T282 H299 | T282-Q301 HydrophobicContact CG2-CB 3.83Å; T282-Q301 HydrophobicContact CG2-CG 4.2Å; H299-Q301 PolarHBondContact O-N 3.17Å |
| 302 | L | 85.9 | Confident | 86.8 | Confident | 125 Ų | 125 | 106.8 Ų | 106.8 | 65% | 0.654 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 141.3 | 174.1 | -64.8 | 175.6 | 0 | 0 | 0 | 108.6 | R300 A304 | R300-L302 PolarHBondContact O-N 2.78Å; R300-L302 VanDerWaalsContact O-N 3.12Å; L302-A304 PolarHBondContact O-N 3.44Å |
| 303 | P | 83.4 | Confident | 86.8 | Confident | 119 Ų | 119 | 108.9 Ų | 108.9 | 77% | 0.773 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 139.3 | 168.1 | -22 | 32.4 | 0 | 0 | 0 | 109.6 | K305 | P303-K305 PolarHBondContact O-N 2.81Š|
| 304 | A | 79.4 | Confident | 86.5 | Confident | 98 Ų | 98 | 107.4 Ų | 107.4 | 81% | 0.81 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 134.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | L302 S306 | L302-A304 PolarHBondContact O-N 3.44Å; A304-S306 PolarHBondContact O-N 3.12Å |
| 305 | K | 71.9 | Confident | 85.9 | Confident | 210 Ų | 210 | 107.4 Ų | 107.4 | 91% | 0.913 | 57% | 0.572 | S | S | * | * | trans | -60.9 | 115.3 | 171.9 | -73.6 | -177.5 | 177.3 | 177.4 | 0 | 107.3 | P303 | P303-K305 PolarHBondContact O-N 2.81Š| ||
| 306 | S | 46.7 | Very low | 85.1 | Confident | 189 Ų | 189 | 106.7 Ų | 106.7 | 100% | 1.322 | 58% | 0.583 | S | S | * | * | trans | -63.8 | 0 | 168.8 | 56.8 | 0 | 0 | 0 | 0 | 111.1 | A304 | A304-S306 PolarHBondContact O-N 3.12Š|
Retrieved 306 of 306 residues in 367.1 ms
(Link to these results)