| 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 | 26.4 | Very low | 31.8 | Very low | 220 Ų | 220 | 151.2 Ų | 151.2 | 100% | 1.084 | 73% | 0.731 | S | S | * | * | 0 | 100.2 | 0 | -155.2 | 157.4 | 102.1 | 0 | 0 | 107.1 | L167 | M1-L167 HydrophobicContact CE-CD1 4.42Å; M1-L167 HydrophobicContact SD-CD1 4.28Å | |||
| 2 | R | 25.7 | Very low | 31.5 | Very low | 237 Ų | 237 | 146.7 Ų | 146.7 | 89% | 0.894 | 74% | 0.737 | S | S | * | * | trans | -83.2 | 117.8 | -172 | -76.3 | 179.6 | 175.9 | -171.1 | -1.9 | 109.4 | L4 | R2-L4 PolarHBondContact O-N 3.38Š| ||
| 3 | L | 29.6 | Very low | 31.2 | Very low | 107 Ų | 107 | 145.7 Ų | 145.7 | 56% | 0.56 | 74% | 0.743 | S | S | * | * | trans | -77.8 | 95.6 | 164 | -88.1 | 144.3 | 0 | 0 | 0 | 107.2 | L5 | L3-L5 PolarHBondContact O-N 2.92Š| ||
| 4 | L | 29.1 | Very low | 31 | Very low | 159 Ų | 159 | 147 Ų | 147 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | trans | -76.4 | 101.6 | 162.3 | -77.9 | 159.5 | 0 | 0 | 0 | 106.3 | R2 S6 | R2-L4 PolarHBondContact O-N 3.38Å; L4-S6 PolarHBondContact O-N 2.63Å | ||
| 5 | L | 36.6 | Very low | 30.7 | Very low | 71 Ų | 71 | 142.8 Ų | 142.8 | 37% | 0.372 | 75% | 0.747 | S | S | . | * | trans | -61.6 | 126.6 | 154.3 | -73.3 | 160.8 | 0 | 0 | 0 | 105.6 | L3 W7 | L3-L5 PolarHBondContact O-N 2.92Å; L5-W7 PolarHBondContact O-N 3.4Å | ||
| 6 | S | 36.2 | Very low | 30.5 | Very low | 72 Ų | 72 | 149.1 Ų | 149.1 | 50% | 0.503 | 76% | 0.758 | S | S | . | * | trans | -58.3 | 107.9 | 175.9 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | L4 E242 | L4-S6 PolarHBondContact O-N 2.63Å; S6-E242 WeakPolarHBondContact CB-OE1 3.46Å; S6-E242 PolarHBondContact OG-OE1 2.86Å | ||
| 7 | W | 37.2 | Very low | 30.3 | Very low | 228 Ų | 228 | 148 Ų | 148 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | -104.9 | 85.2 | 167.1 | -82.4 | 62.4 | 0 | 0 | 0 | 106.2 | L5 | L5-W7 PolarHBondContact O-N 3.4Š| ||
| 8 | A | 33.1 | Very low | 30 | Very low | 75 Ų | 75 | 152.2 Ų | 152.2 | 62% | 0.62 | 77% | 0.767 | S | S | * | * | trans | -150.7 | 57.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 9 | G | 30.3 | Very low | 29.8 | Very low | 68 Ų | 68 | 149.6 Ų | 149.6 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | -110.9 | 114.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | R11 | G9-R11 PolarHBondContact O-N 2.9Š| ||
| 10 | W | 29.6 | Very low | 29.8 | Very low | 257 Ų | 257 | 148.4 Ų | 148.4 | 97% | 0.973 | 77% | 0.767 | S | S | * | * | trans | -62.8 | 122.4 | 178.6 | -74.3 | 54.4 | 0 | 0 | 0 | 110.6 | ||||
| 11 | R | 35.9 | Very low | 29.6 | Very low | 169 Ų | 169 | 144.5 Ų | 144.5 | 64% | 0.638 | 76% | 0.764 | S | S | * | * | trans | -99.8 | 105.7 | 170.6 | -73.3 | -174.7 | 177.5 | -115.9 | -3.9 | 110.7 | G9 E179 | G9-R11 PolarHBondContact O-N 2.9Å; R11-E179 IonicContact CZ-OE1 2.88Å; R11-E179 IonicContact CZ-OE2 3.41Å; R11-E179 IonicContact NH1-OE2 3.52Å; R11-E179 IonicContact NH2-OE1 3.6Å; R11-E179 PolarHBondContact NH2-OE1 2.81Å; R11-E179 IonicContact NH2-OE2 3.96Å; R11-E179 PolarHBondContact NH2-OE2 2.62Å | ||
| 12 | A | 28.6 | Very low | 29.7 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | trans | -74.9 | 114.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | L14 | A12-L14 PolarHBondContact O-N 3.4Š| ||
| 13 | V | 27.9 | Very low | 29.9 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | trans | -75.8 | 104.2 | 173 | 176.1 | 0 | 0 | 0 | 0 | 108.3 | A15 | V13-A15 PolarHBondContact O-N 3.32Š| ||
| 14 | L | 28 | Very low | 29.8 | Very low | 164 Ų | 164 | 134.8 Ų | 134.8 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | trans | -87.9 | 96.7 | 163.4 | -80.7 | 169.5 | 0 | 0 | 0 | 108.7 | A12 R16 | A12-L14 PolarHBondContact O-N 3.4Å; L14-R16 PolarHBondContact O-N 3.44Å | ||
| 15 | A | 27 | Very low | 29.6 | Very low | 84 Ų | 84 | 130.8 Ų | 130.8 | 69% | 0.694 | 76% | 0.763 | S | S | * | * | trans | -66.7 | 110.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | V13 T17 | V13-A15 PolarHBondContact O-N 3.32Å; A15-T17 PolarHBondContact O-N 2.94Å | ||
| 16 | R | 27.4 | Very low | 29 | Very low | 243 Ų | 243 | 134 Ų | 134 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | trans | -80.1 | 106.5 | 164.8 | -78.1 | -173.7 | 178.2 | -153.7 | 1 | 108.5 | L14 Y18 | L14-R16 PolarHBondContact O-N 3.44Å; R16-Y18 PolarHBondContact O-N 3.03Å | ||
| 17 | T | 26.6 | Very low | 28.6 | Very low | 131 Ų | 131 | 142.8 Ų | 142.8 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -69.9 | 113.5 | 169.2 | 48.3 | 0 | 0 | 0 | 0 | 109.7 | A15 | A15-T17 PolarHBondContact O-N 2.94Š| ||
| 18 | Y | 25.5 | Very low | 27.9 | Very low | 223 Ų | 223 | 135.7 Ų | 135.7 | 88% | 0.875 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 119.8 | 169.7 | -143.7 | -96.3 | 0 | 0 | 0 | 108.6 | R16 | R16-Y18 PolarHBondContact O-N 3.03Š|
| 19 | S | 26.3 | Very low | 27.6 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 130.2 | 172.3 | -63.5 | 0 | 0 | 0 | 0 | 109.2 | ||
| 20 | P | 28.3 | Very low | 27.5 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 81% | 0.805 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -90 | 127.6 | 172.3 | 31.1 | -24.5 | 0 | 0 | 0 | 111 | ||
| 21 | G | 27.2 | Very low | 27.3 | Very low | 68 Ų | 68 | 131.1 Ų | 131.1 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 169.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 22 | P | 27.9 | Very low | 26.9 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 88% | 0.877 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 149 | -151.4 | 32.1 | -35 | 0 | 0 | 0 | 114.7 | ||
| 23 | S | 28.9 | Very low | 27 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 84% | 0.839 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 133.6 | 175.8 | 43.1 | 0 | 0 | 0 | 0 | 112.5 | ||
| 24 | A | 28.9 | Very low | 26.9 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 87% | 0.868 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 132 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 25 | G | 24.1 | Very low | 26.9 | Very low | 75 Ų | 75 | 133.2 Ų | 133.2 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 159 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 26 | C | 24.4 | Very low | 27 | Very low | 138 Ų | 138 | 135.4 Ų | 135.4 | 93% | 0.932 | 84% | 0.837 | S | S | * | * | trans | -133.1 | 134.5 | 157.1 | -84.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 27 | R | 26.6 | Very low | 27.2 | Very low | 256 Ų | 256 | 134.9 Ų | 134.9 | 97% | 0.966 | 84% | 0.835 | S | S | * | * | trans | -90.3 | 155.9 | 180 | -71.6 | -179.3 | 178.7 | -161.3 | -0.7 | 111.5 | ||||
| 28 | G | 23.9 | Very low | 27.4 | Very low | 80 Ų | 80 | 135.8 Ų | 135.8 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | trans | 111.8 | 133.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 29 | A | 27.1 | Very low | 27.9 | Very low | 103 Ų | 103 | 130 Ų | 130 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | cis | -155.7 | 162.2 | 9.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 30 | S | 28.3 | Very low | 28.4 | Very low | 126 Ų | 126 | 129.6 Ų | 129.6 | 88% | 0.881 | 82% | 0.82 | S | S | * | * | trans | -63.8 | 144.1 | 178.1 | 48.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 31 | G | 25.3 | Very low | 29 | Very low | 74 Ų | 74 | 131.2 Ų | 131.2 | 76% | 0.763 | 83% | 0.827 | S | S | * | * | trans | 171.3 | 117.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 32 | A | 26.7 | Very low | 30.1 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 88% | 0.876 | 82% | 0.82 | S | S | * | * | trans | 71.7 | 103.1 | 157.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | G34 | A32-G34 PolarHBondContact O-N 3.19Š| ||
| 33 | Q | 30.3 | Very low | 31.2 | Very low | 206 Ų | 206 | 128.9 Ų | 128.9 | 96% | 0.963 | 81% | 0.807 | S | S | * | * | trans | -64.2 | 107.1 | 158.4 | -78.3 | 170.6 | -29.5 | 0 | 0 | 110.1 | ||||
| 34 | G | 26.3 | Very low | 32.9 | Very low | 60 Ų | 60 | 124.4 Ų | 124.4 | 62% | 0.619 | 78% | 0.776 | S | S | * | * | trans | -104.7 | 126 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | A32 V36 | A32-G34 PolarHBondContact O-N 3.19Å; G34-V36 PolarHBondContact O-N 3.27Å | ||
| 35 | Y | 27.3 | Very low | 34.9 | Very low | 237 Ų | 237 | 124.7 Ų | 124.7 | 93% | 0.929 | 76% | 0.763 | S | S | * | * | trans | -53.7 | 107.4 | 173.8 | -85.4 | -97.7 | 0 | 0 | 0 | 110.8 | R37 | Y35-R37 PolarHBondContact O-N 3.15Š| ||
| 36 | V | 29.2 | Very low | 37.7 | Very low | 130 Ų | 130 | 121.5 Ų | 121.5 | 79% | 0.788 | 73% | 0.728 | S | S | * | * | trans | -76.9 | 104.7 | 169.7 | -179.8 | 0 | 0 | 0 | 0 | 107.4 | G34 N38 | G34-V36 PolarHBondContact O-N 3.27Å; V36-N38 PolarHBondContact O-N 3.38Å | ||
| 37 | R | 31.6 | Very low | 40.6 | Very low | 232 Ų | 232 | 121.8 Ų | 121.8 | 88% | 0.875 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 123.5 | 162.8 | -81.1 | -177.2 | 173.1 | -170.7 | -1.6 | 107.5 | Y35 | Y35-R37 PolarHBondContact O-N 3.15Š|
| 38 | N | 31.1 | Very low | 43.5 | Very low | 149 Ų | 149 | 111 Ų | 111 | 80% | 0.797 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 128.6 | 164 | -75.1 | -34.7 | 0 | 0 | 0 | 108.4 | V36 | V36-N38 PolarHBondContact O-N 3.38Š|
| 39 | P | 35.9 | Very low | 46.8 | Very low | 102 Ų | 102 | 111.7 Ų | 111.7 | 66% | 0.662 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 145.8 | 176.2 | 25 | -31 | 0 | 0 | 0 | 109.6 | ||
| 40 | P | 36.4 | Very low | 50 | Low | 96 Ų | 96 | 111.5 Ų | 111.5 | 62% | 0.623 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 142.1 | -179.2 | 25.2 | -32.7 | 0 | 0 | 0 | 110.8 | G42 | P40-G42 PolarHBondContact O-N 2.95Š|
| 41 | V | 42.3 | Very low | 53 | Low | 158 Ų | 158 | 107.7 Ų | 107.7 | 96% | 0.958 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | 119.9 | 170.8 | 176.3 | 0 | 0 | 0 | 0 | 108.7 | ||
| 42 | G | 50.4 | Low | 56 | Low | 54 Ų | 54 | 112.4 Ų | 112.4 | 56% | 0.557 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 115.7 | 1.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | P40 | P40-G42 PolarHBondContact O-N 2.95Š|
| 43 | T | 51 | Low | 59 | Low | 99 Ų | 99 | 114.2 Ų | 114.2 | 61% | 0.607 | 60% | 0.603 | S | S | * | * | trans | -102.8 | 110.6 | 172.2 | 54.6 | 0 | 0 | 0 | 0 | 110.8 | D45 | T43-D45 PolarHBondContact O-N 3.3Š| ||
| 44 | C | 63.8 | Low | 61.9 | Low | 26 Ų | 26 | 105.4 Ų | 105.4 | 18% | 0.176 | 57% | 0.568 | C | S | . | * | trans | -83.8 | 105.2 | 172.4 | -169.6 | 0 | 0 | 0 | 0 | 109.2 | L46 L69 | C44-L46 PolarHBondContact O-N 2.87Å; C44-L46 WeakPolarHBondContact SG-CD2 3.39Å; C44-L69 HydrophobicContact CB-CD1 3.78Å; C44-L69 HydrophobicContact CB-CD2 4.09Å; C44-L69 WeakPolarHBondContact SG-CD2 3.39Å | ||
| 45 | D | 71.2 | Confident | 65.2 | Low | 112 Ų | 112 | 102.5 Ų | 102.5 | 60% | 0.599 | 54% | 0.538 | S | S | * | . | trans | -83.5 | 99.3 | 168.4 | -173.5 | 28.9 | 0 | 0 | 0 | 108.5 | T43 Q47 | T43-D45 PolarHBondContact O-N 3.3Å; D45-Q47 PolarHBondContact O-N 3.01Å; D45-Q47 PolarHBondContact OD2-NE2 2.98Å; D45-Q47 VanDerWaalsContact OD2-NE2 3.09Å | ||
| 46 | L | 83.5 | Confident | 68.5 | Low | 7 Ų | 7 | 91.5 Ų | 91.5 | 4% | 0.037 | 50% | 0.495 | C | S | . | . | trans | -85.7 | 100.5 | 179.6 | -70.9 | 174.1 | 0 | 0 | 0 | 109.4 | C44 V58 L60 L63 F74 L78 A81 W85 | C44-L46 PolarHBondContact O-N 2.87Å; C44-L46 WeakPolarHBondContact SG-CD2 3.39Å; L46-V58 HydrophobicContact CD2-CG1 4.25Å; L46-L60 HydrophobicContact CD2-CD2 4.21Å; L46-L63 HydrophobicContact CD2-CD1 3.46Å; L46-L63 VanDerWaalsContact CD2-CD1 3.46Å; L46-F74 HydrophobicContact CD1-CE2 4.16Å; L46-F74 HydrophobicContact CD2-CE2 4.32Å; L46-L78 HydrophobicContact CD1-CB 3.8Å; L46-L78 HydrophobicContact CD1-CD1 3.86Å; L46-L78 HydrophobicContact CD1-CG 4.44Å; L46-A81 HydrophobicContact CB-CB 4.18Å; L46-W85 HydrophobicContact CB-CH2 4.45Å; L46-W85 WeakPolarHBondContact O-CZ2 3.31Å | ||
| 47 | Q | 83.6 | Confident | 71.7 | Confident | 144 Ų | 144 | 86.1 Ų | 86.1 | 67% | 0.673 | 46% | 0.464 | S | S | * | . | trans | -87 | 143.1 | 171.1 | -61.3 | -174.3 | 2.4 | 0 | 0 | 110.4 | D45 | D45-Q47 PolarHBondContact O-N 3.01Å; D45-Q47 PolarHBondContact OD2-NE2 2.98Å; D45-Q47 VanDerWaalsContact OD2-NE2 3.09Å | ||
| 48 | G | 88.4 | Confident | 74.8 | Confident | 31 Ų | 31 | 75.1 Ų | 75.1 | 32% | 0.32 | 42% | 0.422 | S | S | . | . | trans | -136.1 | 153.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S57 | G48-S57 CarbonylContact C-O 3.44Å; G48-S57 VanDerWaalsContact CA-O 3.23Å; G48-S57 WeakPolarHBondContact CA-O 3.36Å | ||
| 49 | E | 93.8 | Very high | 77.8 | Confident | 94 Ų | 94 | 72.7 Ų | 72.7 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 127.6 | -179.4 | -60.5 | 178.4 | 144.7 | 0 | 0 | 110 | I56 S57 R59 R62 | E49-I56 CarbonylContact O-C 3.52Å; E49-I56 WeakPolarHBondContact O-CA 3.24Å; E49-S57 PolarHBondContact N-O 3.09Å; E49-S57 PolarHBondContact O-N 3.3Å; E49-R59 IonicContact OE2-NE 2.97Å; E49-R62 VanDerWaalsContact CD-NH1 3.32Å; E49-R62 IonicContact OE1-CZ 3.53Å; E49-R62 IonicContact OE1-NH1 3.67Å; E49-R62 PolarHBondContact OE1-NH1 3.41Å; E49-R62 IonicContact OE2-NH1 3.39Å; E49-R62 PolarHBondContact OE2-NH1 2.89Å |
| 50 | L | 94 | Very high | 80.4 | Confident | 99 Ų | 99 | 67.9 Ų | 67.9 | 52% | 0.518 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 128.3 | 177.7 | -176.3 | 67.6 | 0 | 0 | 0 | 110.9 | G55 I56 | L50-G55 WeakPolarHBondContact CA-O 3.21Å; L50-I56 HydrophobicContact CB-CD1 4.19Å; L50-I56 HydrophobicContact CD1-CD1 3.69Å |
| 51 | D | 91 | Very high | 82.8 | Confident | 46 Ų | 46 | 67 Ų | 67 | 25% | 0.246 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -90.2 | 167.9 | 170.3 | 74.7 | 41.7 | 0 | 0 | 0 | 112.4 | F53 G54 G55 | D51-F53 PolarHBondContact O-N 2.88Å; D51-F53 VanDerWaalsContact O-N 3.11Å; D51-F53 VanDerWaalsContact OD1-C 3.31Å; D51-F53 VanDerWaalsContact OD1-CA 3.29Å; D51-F53 WeakPolarHBondContact OD1-CA 3.37Å; D51-F53 WeakPolarHBondContact OD1-CB 3.37Å; D51-F53 PolarHBondContact OD1-N 2.68Å; D51-G54 PolarHBondContact O-N 3.28Å; D51-G54 PolarHBondContact OD1-N 2.84Å; D51-G54 VanDerWaalsContact OD1-N 3.1Å; D51-G55 PolarHBondContact N-O 3.25Å; D51-G55 PolarHBondContact OD1-N 2.96Å; D51-G55 VanDerWaalsContact OD2-CA 3.23Å; D51-G55 WeakPolarHBondContact OD2-CA 3.39Å |
| 52 | R | 88.8 | Confident | 84.7 | Confident | 172 Ų | 172 | 67 Ų | 67 | 65% | 0.649 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -12.8 | -177.7 | 71.5 | -178 | -177.7 | -163 | -1.5 | 114.9 | ||
| 53 | F | 89.7 | Confident | 86.1 | Confident | 144 Ų | 144 | 66.4 Ų | 66.4 | 63% | 0.632 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | 10.2 | -178.7 | -57 | -66.1 | 0 | 0 | 0 | 112.3 | D51 G55 T91 | D51-F53 PolarHBondContact O-N 2.88Å; D51-F53 VanDerWaalsContact O-N 3.11Å; D51-F53 VanDerWaalsContact OD1-C 3.31Å; D51-F53 VanDerWaalsContact OD1-CA 3.29Å; D51-F53 WeakPolarHBondContact OD1-CA 3.37Å; D51-F53 WeakPolarHBondContact OD1-CB 3.37Å; D51-F53 PolarHBondContact OD1-N 2.68Å; F53-G55 VanDerWaalsContact C-N 3.35Å; F53-T91 PolarHBondContact O-OG1 3.5Å |
| 54 | G | 91.6 | Very high | 86.9 | Confident | 21 Ų | 21 | 69.5 Ų | 69.5 | 22% | 0.216 | 35% | 0.351 | C | S | . | . | S | Bend | trans | 81.6 | 11 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D51 R90 T91 | D51-G54 PolarHBondContact O-N 3.28Å; D51-G54 PolarHBondContact OD1-N 2.84Å; D51-G54 VanDerWaalsContact OD1-N 3.1Å; G54-R90 WeakPolarHBondContact O-CA 3.47Å; G54-T91 PolarHBondContact O-N 3.44Å; G54-T91 PolarHBondContact O-OG1 3.27Å |
| 55 | G | 94.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 155.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L50 D51 F53 T91 A92 | L50-G55 WeakPolarHBondContact CA-O 3.21Å; D51-G55 PolarHBondContact N-O 3.25Å; D51-G55 PolarHBondContact OD1-N 2.96Å; D51-G55 VanDerWaalsContact OD2-CA 3.23Å; D51-G55 WeakPolarHBondContact OD2-CA 3.39Å; F53-G55 VanDerWaalsContact C-N 3.35Å; G55-T91 PolarHBondContact N-OG1 2.86Å; G55-A92 CarbonylContact C-O 3.55Å; G55-A92 VanDerWaalsContact CA-O 3.31Å; G55-A92 WeakPolarHBondContact CA-O 3.43Å |
| 56 | I | 96.9 | Very high | 87 | Confident | 5 Ų | 5 | 66.6 Ų | 66.6 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 127.7 | -179.8 | -62.1 | -65.3 | 0 | 0 | 0 | 109.8 | E49 L50 V58 W85 R90 A92 V93 W94 | E49-I56 CarbonylContact O-C 3.52Å; E49-I56 WeakPolarHBondContact O-CA 3.24Å; L50-I56 HydrophobicContact CB-CD1 4.19Å; L50-I56 HydrophobicContact CD1-CD1 3.69Å; I56-V58 HydrophobicContact CG2-CG2 4.24Å; I56-W85 HydrophobicContact CB-CD2 4.46Å; I56-W85 HydrophobicContact CG1-CD2 4.34Å; I56-W85 HydrophobicContact CG1-CG 4.15Å; I56-W85 HydrophobicContact CG2-CD2 4.23Å; I56-W85 HydrophobicContact CG2-CH2 4.31Å; I56-W85 HydrophobicContact CG2-CZ2 3.84Å; I56-R90 HydrophobicContact CD1-CG 4.2Å; I56-R90 HydrophobicContact CG1-CB 4.18Å; I56-R90 HydrophobicContact CG1-CG 3.78Å; I56-A92 PolarHBondContact N-O 2.8Å; I56-V93 CarbonylContact O-C 3.56Å; I56-V93 WeakPolarHBondContact O-CA 3.2Å; I56-W94 PolarHBondContact O-N 2.77Å |
| 57 | S | 96.6 | Very high | 86.3 | Confident | 18 Ų | 18 | 72.6 Ų | 72.6 | 13% | 0.126 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 115.6 | 176.7 | -63.4 | 0 | 0 | 0 | 0 | 111.8 | G48 E49 | G48-S57 CarbonylContact C-O 3.44Å; G48-S57 VanDerWaalsContact CA-O 3.23Å; G48-S57 WeakPolarHBondContact CA-O 3.36Å; E49-S57 PolarHBondContact N-O 3.09Å; E49-S57 PolarHBondContact O-N 3.3Å |
| 58 | V | 95.3 | Very high | 85.8 | Confident | 1 Ų | 1 | 76.5 Ų | 76.5 | 1% | 0.006 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 120.2 | 176.4 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | L46 I56 L60 W85 V93 W94 L95 H96 | L46-V58 HydrophobicContact CD2-CG1 4.25Å; I56-V58 HydrophobicContact CG2-CG2 4.24Å; V58-L60 HydrophobicContact CG1-CD2 4.06Å; V58-W85 HydrophobicContact CG2-CH2 3.49Å; V58-W85 VanDerWaalsContact CG2-CH2 3.49Å; V58-W85 HydrophobicContact CG2-CZ2 4.09Å; V58-W85 HydrophobicContact CG2-CZ3 4.24Å; V58-V93 HydrophobicContact CG2-CG1 4.35Å; V58-W94 PolarHBondContact N-O 2.65Å; V58-L95 HydrophobicContact CB-CD1 3.88Å; V58-L95 HydrophobicContact CG1-CD1 3.87Å; V58-H96 PolarHBondContact O-N 3.38Å |
| 59 | R | 93.9 | Very high | 85.5 | Confident | 98 Ų | 98 | 76.2 Ų | 76.2 | 37% | 0.37 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 102.7 | 179.7 | -64.3 | 178 | -172.5 | -79.1 | -3 | 109.7 | E49 A61 R62 H96 | E49-R59 IonicContact OE2-NE 2.97Å; R59-A61 PolarHBondContact O-N 3.29Å; R59-R62 HydrophobicContact CB-CG 4.26Å; R59-R62 PolarHBondContact O-N 3.14Å; R59-H96 HydrophobicContact CG-CB 4.33Å |
| 60 | L | 91.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -61.9 | -33.5 | -175.7 | -62.6 | -167.4 | 0 | 0 | 0 | 112.2 | L46 V58 R62 L63 L66 F74 L95 H96 I97 F104 | L46-L60 HydrophobicContact CD2-CD2 4.21Å; V58-L60 HydrophobicContact CG1-CD2 4.06Å; L60-R62 PolarHBondContact O-N 2.89Å; L60-L63 HydrophobicContact CD2-CD1 3.56Å; L60-L63 WeakPolarHBondContact O-CB 3.28Å; L60-L63 PolarHBondContact O-N 3.14Å; L60-L66 HydrophobicContact CB-CD1 4.23Å; L60-L66 HydrophobicContact CB-CD2 4.06Å; L60-L66 WeakPolarHBondContact O-CD1 3.3Å; L60-F74 HydrophobicContact CD1-CE2 4.05Å; L60-F74 HydrophobicContact CD1-CZ 4.29Å; L60-F74 HydrophobicContact CD2-CE2 3.89Å; L60-L95 HydrophobicContact CD1-CD1 4.49Å; L60-L95 HydrophobicContact CD2-CD1 3.93Å; L60-L95 HydrophobicContact CG-CD1 4.08Å; L60-H96 WeakPolarHBondContact CB-O 3.44Å; L60-H96 WeakPolarHBondContact CG-O 3.44Å; L60-H96 PolarHBondContact N-O 3.34Å; L60-I97 HydrophobicContact CD1-CB 4.27Å; L60-I97 HydrophobicContact CD1-CD1 4.38Å; L60-I97 HydrophobicContact CD1-CG1 3.77Å; L60-I97 HydrophobicContact CD1-CG2 4.13Å; L60-I97 HydrophobicContact CG-CG1 4.37Å; L60-F104 HydrophobicContact CD1-CB 4.29Å; L60-F104 HydrophobicContact CD1-CD2 3.82Å; L60-F104 HydrophobicContact CD1-CG 4.42Å |
| 61 | A | 86.3 | Confident | 85.1 | Confident | 78 Ų | 78 | 73.2 Ų | 73.2 | 65% | 0.645 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -54.3 | -19.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R59 P98 | R59-A61 PolarHBondContact O-N 3.29Å; A61-P98 HydrophobicContact CB-CG 3.87Å |
| 62 | R | 83.6 | Confident | 85.1 | Confident | 158 Ų | 158 | 74.2 Ų | 74.2 | 60% | 0.596 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -97.5 | -2.5 | 179.6 | -61.2 | -174.7 | -179.5 | 173 | 1.4 | 113.8 | E49 R59 L60 | E49-R62 VanDerWaalsContact CD-NH1 3.32Å; E49-R62 IonicContact OE1-CZ 3.53Å; E49-R62 IonicContact OE1-NH1 3.67Å; E49-R62 PolarHBondContact OE1-NH1 3.41Å; E49-R62 IonicContact OE2-NH1 3.39Å; E49-R62 PolarHBondContact OE2-NH1 2.89Å; R59-R62 HydrophobicContact CB-CG 4.26Å; R59-R62 PolarHBondContact O-N 3.14Å; L60-R62 PolarHBondContact O-N 2.89Å |
| 63 | L | 79.6 | Confident | 85.2 | Confident | 42 Ų | 42 | 67 Ų | 67 | 22% | 0.22 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -86.1 | 122.7 | 177.4 | -62.5 | 176.3 | 0 | 0 | 0 | 109.2 | L46 L60 L66 | L46-L63 HydrophobicContact CD2-CD1 3.46Å; L46-L63 VanDerWaalsContact CD2-CD1 3.46Å; L60-L63 HydrophobicContact CD2-CD1 3.56Å; L60-L63 WeakPolarHBondContact O-CB 3.28Å; L60-L63 PolarHBondContact O-N 3.14Å; L63-L66 HydrophobicContact CB-CD2 4.06Å; L63-L66 HydrophobicContact CB-CG 4.08Å; L63-L66 HydrophobicContact CD1-CD2 4.22Å |
| 64 | D | 66.6 | Low | 85.4 | Confident | 164 Ų | 164 | 60.1 Ų | 60.1 | 88% | 0.877 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 144 | 170.8 | -68.6 | -39.3 | 0 | 0 | 0 | 110 | L66 | D64-L66 PolarHBondContact O-N 3.31Š|
| 65 | A | 67.8 | Low | 85.6 | Confident | 60 Ų | 60 | 62.4 Ų | 62.4 | 50% | 0.496 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 27.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | D67 R68 L69 | A65-D67 PolarHBondContact O-N 3.15Å; A65-D67 VanDerWaalsContact O-N 3.1Å; A65-R68 HydrophobicContact CB-CB 4.47Å; A65-R68 PolarHBondContact O-N 2.88Å; A65-L69 PolarHBondContact O-N 3.18Å |
| 66 | L | 69.7 | Low | 85.5 | Confident | 16 Ų | 16 | 70.1 Ų | 70.1 | 8% | 0.084 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -48.1 | -36.5 | 170.2 | -78.5 | 170.2 | 0 | 0 | 0 | 113.9 | L60 L63 D64 R68 L69 Q101 R103 F104 | L60-L66 HydrophobicContact CB-CD1 4.23Å; L60-L66 HydrophobicContact CB-CD2 4.06Å; L60-L66 WeakPolarHBondContact O-CD1 3.3Å; L63-L66 HydrophobicContact CB-CD2 4.06Å; L63-L66 HydrophobicContact CB-CG 4.08Å; L63-L66 HydrophobicContact CD1-CD2 4.22Å; D64-L66 PolarHBondContact O-N 3.31Å; L66-R68 PolarHBondContact O-N 3.19Å; L66-L69 WeakPolarHBondContact O-CB 3.35Å; L66-L69 PolarHBondContact O-N 3.35Å; L66-L69 VanDerWaalsContact O-N 3.07Å; L66-Q101 HydrophobicContact CD1-CG 4.08Å; L66-R103 PolarHBondContact O-NH2 3.45Å; L66-F104 HydrophobicContact CD2-CE2 4.03Å |
| 67 | D | 68.8 | Low | 85.4 | Confident | 133 Ų | 133 | 70.4 Ų | 70.4 | 71% | 0.711 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -67.8 | -19.3 | -178.7 | -61.1 | -28.3 | 0 | 0 | 0 | 113 | A65 Q101 | A65-D67 PolarHBondContact O-N 3.15Å; A65-D67 VanDerWaalsContact O-N 3.1Å; D67-Q101 PolarHBondContact OD1-NE2 3.22Å |
| 68 | R | 72.9 | Confident | 85.3 | Confident | 226 Ų | 226 | 69.6 Ų | 69.6 | 85% | 0.853 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -94.6 | -9 | 175.1 | -59 | -176.8 | -177.3 | 172 | 0.6 | 112.7 | A65 L66 | A65-R68 HydrophobicContact CB-CB 4.47Å; A65-R68 PolarHBondContact O-N 2.88Å; L66-R68 PolarHBondContact O-N 3.19Å |
| 69 | L | 82.9 | Confident | 85.4 | Confident | 25 Ų | 25 | 73.8 Ų | 73.8 | 13% | 0.131 | 38% | 0.384 | C | S | . | . | trans | -86.6 | 115.4 | 178.4 | -171.8 | 67.9 | 0 | 0 | 0 | 109.5 | C44 A65 L66 A73 F74 F104 | C44-L69 HydrophobicContact CB-CD1 3.78Å; C44-L69 HydrophobicContact CB-CD2 4.09Å; C44-L69 WeakPolarHBondContact SG-CD2 3.39Å; A65-L69 PolarHBondContact O-N 3.18Å; L66-L69 WeakPolarHBondContact O-CB 3.35Å; L66-L69 PolarHBondContact O-N 3.35Å; L66-L69 VanDerWaalsContact O-N 3.07Å; L69-A73 HydrophobicContact CD1-CB 3.77Å; L69-F74 HydrophobicContact CD2-CB 3.83Å; L69-F74 HydrophobicContact CD2-CD2 3.8Å; L69-F74 HydrophobicContact CD2-CG 4.31Å; L69-F74 HydrophobicContact CG-CB 4.09Å; L69-F104 HydrophobicContact CB-CZ 4.15Å; L69-F104 HydrophobicContact CD2-CE1 4.48Å; L69-F104 HydrophobicContact CD2-CZ 4.27Å; L69-F104 HydrophobicContact CG-CE1 4.42Å; L69-F104 HydrophobicContact CG-CZ 4.31Å; L69-F104 WeakPolarHBondContact O-CE1 3.35Å; L69-F104 VanDerWaalsContact O-CZ 3.24Å; L69-F104 WeakPolarHBondContact O-CZ 3.45Å | ||
| 70 | D | 87.8 | Confident | 85.5 | Confident | 93 Ų | 93 | 71.6 Ų | 71.6 | 50% | 0.497 | 39% | 0.388 | S | S | . | . | trans | -78 | 163.4 | 172.5 | 74.4 | 49.6 | 0 | 0 | 0 | 111.7 | A72 A73 F74 | D70-A72 VanDerWaalsContact C-N 3.29Å; D70-A72 PolarHBondContact O-N 3.38Å; D70-A72 WeakPolarHBondContact OD1-CA 3.21Å; D70-A72 PolarHBondContact OD1-N 3.36Å; D70-A73 WeakPolarHBondContact OD1-CB 3.44Å; D70-A73 PolarHBondContact OD1-N 2.85Å; D70-F74 WeakPolarHBondContact O-CB 3.38Å; D70-F74 PolarHBondContact O-N 3.36Å | ||
| 71 | A | 90.7 | Very high | 85.7 | Confident | 37 Ų | 37 | 72 Ų | 72 | 31% | 0.306 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64 | -31.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q75 P107 | A71-Q75 WeakPolarHBondContact O-CB 3.02Å; A71-Q75 PolarHBondContact O-N 3.38Å; A71-P107 HydrophobicContact CB-CG 3.84Å |
| 72 | A | 91.8 | Very high | 86.2 | Confident | 68 Ų | 68 | 68.8 Ų | 68.8 | 56% | 0.562 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -77 | -43.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | D70 F74 Q75 K76 | D70-A72 VanDerWaalsContact C-N 3.29Å; D70-A72 PolarHBondContact O-N 3.38Å; D70-A72 WeakPolarHBondContact OD1-CA 3.21Å; D70-A72 PolarHBondContact OD1-N 3.36Å; A72-F74 VanDerWaalsContact C-N 3.32Å; A72-Q75 PolarHBondContact O-N 2.84Å; A72-K76 WeakPolarHBondContact O-CB 3.49Å; A72-K76 PolarHBondContact O-N 3.46Å |
| 73 | A | 91.1 | Very high | 86.8 | Confident | 19 Ų | 19 | 66.9 Ų | 66.9 | 16% | 0.157 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L69 D70 K76 G77 | L69-A73 HydrophobicContact CD1-CB 3.77Å; D70-A73 WeakPolarHBondContact OD1-CB 3.44Å; D70-A73 PolarHBondContact OD1-N 2.85Å; A73-K76 PolarHBondContact O-N 3.04Å; A73-G77 PolarHBondContact O-N 3.28Å |
| 74 | F | 93.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.6 | -49.1 | 172.6 | 176.1 | -97.7 | 0 | 0 | 0 | 111.9 | L46 L60 L69 D70 A72 K76 G77 L78 L95 F104 P107 A108 | L46-F74 HydrophobicContact CD1-CE2 4.16Å; L46-F74 HydrophobicContact CD2-CE2 4.32Å; L60-F74 HydrophobicContact CD1-CE2 4.05Å; L60-F74 HydrophobicContact CD1-CZ 4.29Å; L60-F74 HydrophobicContact CD2-CE2 3.89Å; L69-F74 HydrophobicContact CD2-CB 3.83Å; L69-F74 HydrophobicContact CD2-CD2 3.8Å; L69-F74 HydrophobicContact CD2-CG 4.31Å; L69-F74 HydrophobicContact CG-CB 4.09Å; D70-F74 WeakPolarHBondContact O-CB 3.38Å; D70-F74 PolarHBondContact O-N 3.36Å; A72-F74 VanDerWaalsContact C-N 3.32Å; F74-K76 VanDerWaalsContact C-N 3.33Å; F74-K76 PolarHBondContact O-N 2.59Å; F74-G77 PolarHBondContact O-N 3.13Å; F74-L78 HydrophobicContact CE1-CB 4.4Å; F74-L78 HydrophobicContact CE1-CD2 3.7Å; F74-L78 HydrophobicContact CZ-CB 4.41Å; F74-L78 HydrophobicContact CZ-CD2 3.81Å; F74-L78 WeakPolarHBondContact O-CB 3.28Å; F74-L78 PolarHBondContact O-N 2.89Å; F74-L95 HydrophobicContact CZ-CD1 4.46Å; F74-L95 HydrophobicContact CZ-CD2 4.07Å; F74-F104 HydrophobicContact CB-CD1 3.58Å; F74-F104 HydrophobicContact CB-CE1 3.66Å; F74-F104 HydrophobicContact CB-CG 4.48Å; F74-F104 HydrophobicContact CD1-CB 3.8Å; F74-F104 AromaticContact CD1-CD1 3.7Å; F74-F104 HydrophobicContact CD1-CD1 3.7Å; F74-F104 AromaticContact CD1-CG 3.99Å; F74-F104 HydrophobicContact CD1-CG 3.99Å; F74-F104 HydrophobicContact CD2-CD1 4.07Å; F74-F104 HydrophobicContact CD2-CE1 4.44Å; F74-F104 HydrophobicContact CD2-CG 4.18Å; F74-F104 HydrophobicContact CE1-CB 3.68Å; F74-F104 HydrophobicContact CE1-CD1 4.44Å; F74-F104 HydrophobicContact CE1-CG 4.28Å; F74-F104 HydrophobicContact CE2-CB 4.44Å; F74-F104 HydrophobicContact CE2-CG 4.46Å; F74-F104 HydrophobicContact CG-CB 4.24Å; F74-F104 AromaticContact CG-CD1 3.48Å; F74-F104 HydrophobicContact CG-CD1 3.48Å; F74-F104 VanDerWaalsContact CG-CD1 3.48Å; F74-F104 AromaticContact CG-CE1 3.99Å; F74-F104 HydrophobicContact CG-CE1 3.99Å; F74-F104 AromaticContact CG-CG 3.93Å; F74-F104 HydrophobicContact CG-CG 3.93Å; F74-F104 HydrophobicContact CZ-CB 4.02Å; F74-P107 HydrophobicContact CD1-CB 3.89Å; F74-P107 HydrophobicContact CE1-CB 4.31Å; F74-A108 HydrophobicContact CE1-CB 4.46Å |
| 75 | Q | 95.1 | Very high | 89 | Confident | 70 Ų | 70 | 62.5 Ų | 62.5 | 33% | 0.327 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.4 | -47.2 | 179.3 | -166 | 179.1 | -23.5 | 0 | 0 | 111.6 | A71 A72 L78 Q79 P107 S110 L111 | A71-Q75 WeakPolarHBondContact O-CB 3.02Å; A71-Q75 PolarHBondContact O-N 3.38Å; A72-Q75 PolarHBondContact O-N 2.84Å; Q75-L78 PolarHBondContact O-N 3.06Å; Q75-Q79 WeakPolarHBondContact O-CB 3.35Å; Q75-Q79 PolarHBondContact O-N 3.39Å; Q75-P107 HydrophobicContact CB-CB 3.96Å; Q75-P107 HydrophobicContact CG-CB 4.21Å; Q75-S110 PolarHBondContact NE2-OG 3.06Å; Q75-S110 VanDerWaalsContact NE2-OG 3.17Å; Q75-L111 HydrophobicContact CG-CD1 4.21Å; Q75-L111 HydrophobicContact CG-CD2 4.46Å; Q75-L111 HydrophobicContact CG-CG 4.31Å |
| 76 | K | 94.5 | Very high | 90.3 | Very high | 161 Ų | 161 | 66.3 Ų | 66.3 | 70% | 0.7 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.3 | -43.3 | 179.7 | -172.8 | 179.6 | 178.7 | -177.2 | 0 | 111.6 | A72 A73 F74 Q79 A80 | A72-K76 WeakPolarHBondContact O-CB 3.49Å; A72-K76 PolarHBondContact O-N 3.46Å; A73-K76 PolarHBondContact O-N 3.04Å; F74-K76 VanDerWaalsContact C-N 3.33Å; F74-K76 PolarHBondContact O-N 2.59Å; K76-Q79 PolarHBondContact O-N 3.22Å; K76-A80 PolarHBondContact O-N 3.48Å; K76-A80 VanDerWaalsContact O-N 3.08Å |
| 77 | G | 93.6 | Very high | 91.5 | Very high | 12 Ų | 12 | 70.3 Ų | 70.3 | 12% | 0.124 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A73 F74 Q79 A80 A81 | A73-G77 PolarHBondContact O-N 3.28Å; F74-G77 PolarHBondContact O-N 3.13Å; G77-Q79 PolarHBondContact O-N 2.99Å; G77-A80 PolarHBondContact O-N 3.24Å; G77-A81 WeakPolarHBondContact O-CB 3.28Å; G77-A81 PolarHBondContact O-N 3.3Å |
| 78 | L | 95.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 177.6 | -176 | 59.7 | 0 | 0 | 0 | 112.2 | L46 F74 Q75 A81 V82 L95 A108 L111 F113 | L46-L78 HydrophobicContact CD1-CB 3.8Å; L46-L78 HydrophobicContact CD1-CD1 3.86Å; L46-L78 HydrophobicContact CD1-CG 4.44Å; F74-L78 HydrophobicContact CE1-CB 4.4Å; F74-L78 HydrophobicContact CE1-CD2 3.7Å; F74-L78 HydrophobicContact CZ-CB 4.41Å; F74-L78 HydrophobicContact CZ-CD2 3.81Å; F74-L78 WeakPolarHBondContact O-CB 3.28Å; F74-L78 PolarHBondContact O-N 2.89Å; Q75-L78 PolarHBondContact O-N 3.06Å; L78-A81 PolarHBondContact O-N 3.49Å; L78-V82 HydrophobicContact CD1-CG2 4.23Å; L78-V82 HydrophobicContact CG-CG2 4.49Å; L78-V82 WeakPolarHBondContact O-CB 3.26Å; L78-V82 VanDerWaalsContact O-CG2 3.23Å; L78-V82 WeakPolarHBondContact O-CG2 3.42Å; L78-V82 PolarHBondContact O-N 3Å; L78-L95 HydrophobicContact CD2-CD2 4.05Å; L78-A108 HydrophobicContact CD2-CB 3.8Å; L78-L111 HydrophobicContact CB-CD1 3.87Å; L78-L111 HydrophobicContact CD2-CD1 3.89Å; L78-L111 HydrophobicContact CG-CD1 3.73Å; L78-F113 HydrophobicContact CD1-CE2 4.08Å; L78-F113 HydrophobicContact CD1-CZ 3.94Å; L78-F113 HydrophobicContact CD2-CD2 4.3Å; L78-F113 HydrophobicContact CD2-CE2 3.83Å; L78-F113 HydrophobicContact CD2-CZ 4.31Å; L78-F113 HydrophobicContact CG-CE2 4.05Å; L78-F113 HydrophobicContact CG-CZ 4.41Å |
| 79 | Q | 96.8 | Very high | 93.8 | Very high | 89 Ų | 89 | 59.7 Ų | 59.7 | 42% | 0.416 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62 | -46.3 | 175.7 | -175.4 | 178.2 | 11 | 0 | 0 | 111.8 | Q75 K76 G77 V82 Q83 L111 | Q75-Q79 WeakPolarHBondContact O-CB 3.35Å; Q75-Q79 PolarHBondContact O-N 3.39Å; K76-Q79 PolarHBondContact O-N 3.22Å; G77-Q79 PolarHBondContact O-N 2.99Å; Q79-V82 PolarHBondContact O-N 3.38Å; Q79-Q83 WeakPolarHBondContact O-CG 3.43Å; Q79-Q83 PolarHBondContact O-N 3.22Å; Q79-L111 HydrophobicContact CB-CD1 4.05Å; Q79-L111 HydrophobicContact CB-CD2 4Å; Q79-L111 HydrophobicContact CG-CD2 4.15Å |
| 80 | A | 95.6 | Very high | 94.4 | Very high | 53 Ų | 53 | 61.7 Ų | 61.7 | 44% | 0.438 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | K76 G77 V82 Q83 Q84 | K76-A80 PolarHBondContact O-N 3.48Å; K76-A80 VanDerWaalsContact O-N 3.08Å; G77-A80 PolarHBondContact O-N 3.24Å; A80-V82 PolarHBondContact O-N 3Å; A80-Q83 PolarHBondContact O-N 2.97Å; A80-Q84 PolarHBondContact O-N 2.81Å |
| 81 | A | 95.8 | Very high | 94.7 | Very high | 8 Ų | 8 | 59.3 Ų | 59.3 | 7% | 0.066 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | L46 G77 L78 Q83 Q84 W85 | L46-A81 HydrophobicContact CB-CB 4.18Å; G77-A81 WeakPolarHBondContact O-CB 3.28Å; G77-A81 PolarHBondContact O-N 3.3Å; L78-A81 PolarHBondContact O-N 3.49Å; A81-Q83 VanDerWaalsContact C-N 3.35Å; A81-Q83 PolarHBondContact O-N 2.93Å; A81-Q84 WeakPolarHBondContact O-CB 3.48Å; A81-Q84 PolarHBondContact O-N 2.64Å; A81-W85 HydrophobicContact CB-CD2 4.47Å; A81-W85 HydrophobicContact CB-CE3 4.24Å; A81-W85 HydrophobicContact CB-CH2 3.55Å; A81-W85 HydrophobicContact CB-CZ2 3.83Å; A81-W85 HydrophobicContact CB-CZ3 3.78Å; A81-W85 VanDerWaalsContact O-CG 3.27Å; A81-W85 PolarHBondContact O-N 3.41Å |
| 82 | V | 96.7 | Very high | 95.1 | Very high | 11 Ų | 11 | 57.6 Ų | 57.6 | 7% | 0.067 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 175.3 | 167 | 0 | 0 | 0 | 0 | 112 | L78 Q79 A80 W85 R86 V93 F113 L127 L129 | L78-V82 HydrophobicContact CD1-CG2 4.23Å; L78-V82 HydrophobicContact CG-CG2 4.49Å; L78-V82 WeakPolarHBondContact O-CB 3.26Å; L78-V82 VanDerWaalsContact O-CG2 3.23Å; L78-V82 WeakPolarHBondContact O-CG2 3.42Å; L78-V82 PolarHBondContact O-N 3Å; Q79-V82 PolarHBondContact O-N 3.38Å; A80-V82 PolarHBondContact O-N 3Å; V82-W85 HydrophobicContact CG2-CE3 4.22Å; V82-W85 HydrophobicContact CG2-CZ3 4.23Å; V82-W85 PolarHBondContact O-N 3.22Å; V82-R86 WeakPolarHBondContact O-CG 3.5Å; V82-R86 PolarHBondContact O-N 3.1Å; V82-V93 HydrophobicContact CG2-CG2 4.48Å; V82-F113 HydrophobicContact CG2-CE2 4Å; V82-F113 HydrophobicContact CG2-CZ 4.1Å; V82-L127 HydrophobicContact CG1-CD2 3.71Å; V82-L127 HydrophobicContact CG2-CD2 3.91Å; V82-L129 HydrophobicContact CG1-CD2 3.97Å |
| 83 | Q | 95.7 | Very high | 95.4 | Very high | 118 Ų | 118 | 54.3 Ų | 54.3 | 55% | 0.551 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.6 | -43.6 | 175.9 | -74.7 | 177.3 | -16.7 | 0 | 0 | 111.6 | Q79 A80 A81 R86 S87 | Q79-Q83 WeakPolarHBondContact O-CG 3.43Å; Q79-Q83 PolarHBondContact O-N 3.22Å; A80-Q83 PolarHBondContact O-N 2.97Å; A81-Q83 VanDerWaalsContact C-N 3.35Å; A81-Q83 PolarHBondContact O-N 2.93Å; Q83-R86 PolarHBondContact O-N 3.07Å; Q83-S87 PolarHBondContact O-N 3.02Å; Q83-S87 VanDerWaalsContact O-N 3.11Å |
| 84 | Q | 95.7 | Very high | 95.7 | Very high | 101 Ų | 101 | 55.3 Ų | 55.3 | 47% | 0.472 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.9 | -52.3 | 175.1 | 179.8 | -177.1 | -19.7 | 0 | 0 | 111.1 | A80 A81 R86 S87 E88 | A80-Q84 PolarHBondContact O-N 2.81Å; A81-Q84 WeakPolarHBondContact O-CB 3.48Å; A81-Q84 PolarHBondContact O-N 2.64Å; Q84-R86 VanDerWaalsContact C-N 3.26Å; Q84-R86 PolarHBondContact O-N 2.58Å; Q84-S87 WeakPolarHBondContact O-CA 3.35Å; Q84-S87 WeakPolarHBondContact O-CB 3.48Å; Q84-S87 PolarHBondContact O-N 2.84Å; Q84-S87 PolarHBondContact O-OG 3.28Å; Q84-E88 WeakPolarHBondContact CG-OE1 3.4Å; Q84-E88 PolarHBondContact NE2-OE1 2.8Å; Q84-E88 WeakPolarHBondContact O-CG 3.46Å; Q84-E88 PolarHBondContact O-N 3.04Å |
| 85 | W | 96.3 | Very high | 95.9 | Very high | 13 Ų | 13 | 55.3 Ų | 55.3 | 5% | 0.049 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.8 | -33.8 | 179.9 | -65.1 | -33.5 | 0 | 0 | 0 | 113 | L46 I56 V58 A81 V82 E88 G89 R90 V93 L129 | L46-W85 HydrophobicContact CB-CH2 4.45Å; L46-W85 WeakPolarHBondContact O-CZ2 3.31Å; I56-W85 HydrophobicContact CB-CD2 4.46Å; I56-W85 HydrophobicContact CG1-CD2 4.34Å; I56-W85 HydrophobicContact CG1-CG 4.15Å; I56-W85 HydrophobicContact CG2-CD2 4.23Å; I56-W85 HydrophobicContact CG2-CH2 4.31Å; I56-W85 HydrophobicContact CG2-CZ2 3.84Å; V58-W85 HydrophobicContact CG2-CH2 3.49Å; V58-W85 VanDerWaalsContact CG2-CH2 3.49Å; V58-W85 HydrophobicContact CG2-CZ2 4.09Å; V58-W85 HydrophobicContact CG2-CZ3 4.24Å; A81-W85 HydrophobicContact CB-CD2 4.47Å; A81-W85 HydrophobicContact CB-CE3 4.24Å; A81-W85 HydrophobicContact CB-CH2 3.55Å; A81-W85 HydrophobicContact CB-CZ2 3.83Å; A81-W85 HydrophobicContact CB-CZ3 3.78Å; A81-W85 VanDerWaalsContact O-CG 3.27Å; A81-W85 PolarHBondContact O-N 3.41Å; V82-W85 HydrophobicContact CG2-CE3 4.22Å; V82-W85 HydrophobicContact CG2-CZ3 4.23Å; V82-W85 PolarHBondContact O-N 3.22Å; W85-E88 PolarHBondContact O-N 3.46Å; W85-G89 PolarHBondContact O-N 2.79Å; W85-R90 HydrophobicContact CB-CB 3.96Å; W85-R90 HydrophobicContact CB-CG 3.69Å; W85-R90 HydrophobicContact CG-CG 4.2Å; W85-R90 VanDerWaalsContact O-CB 3.28Å; W85-R90 WeakPolarHBondContact O-CB 3.48Å; W85-R90 WeakPolarHBondContact O-CG 3.29Å; W85-R90 PolarHBondContact O-N 3.26Å; W85-V93 HydrophobicContact CE3-CG1 4.07Å; W85-V93 HydrophobicContact CE3-CG2 3.6Å; W85-V93 HydrophobicContact CH2-CG1 4.44Å; W85-V93 HydrophobicContact CZ3-CG1 3.66Å; W85-V93 HydrophobicContact CZ3-CG2 4.03Å; W85-L129 HydrophobicContact CB-CD1 4.06Å |
| 86 | R | 95.6 | Very high | 96 | Very high | 140 Ų | 140 | 53.3 Ų | 53.3 | 53% | 0.528 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 170.2 | -77 | 179.1 | 175.8 | 175.1 | 1.7 | 112.1 | V82 Q83 Q84 E88 G89 L129 | V82-R86 WeakPolarHBondContact O-CG 3.5Å; V82-R86 PolarHBondContact O-N 3.1Å; Q83-R86 PolarHBondContact O-N 3.07Å; Q84-R86 VanDerWaalsContact C-N 3.26Å; Q84-R86 PolarHBondContact O-N 2.58Å; R86-E88 PolarHBondContact O-N 2.88Å; R86-G89 PolarHBondContact O-N 3.26Å; R86-L129 HydrophobicContact CG-CB 4.27Å; R86-L129 HydrophobicContact CG-CD1 4.2Å; R86-L129 HydrophobicContact CG-CD2 3.91Å; R86-L129 HydrophobicContact CG-CG 4.36Å |
| 87 | S | 95.1 | Very high | 96 | Very high | 99 Ų | 99 | 45.7 Ų | 45.7 | 69% | 0.692 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -65.4 | -29.1 | 178.8 | 75.2 | 0 | 0 | 0 | 0 | 113.1 | Q83 Q84 G89 | Q83-S87 PolarHBondContact O-N 3.02Å; Q83-S87 VanDerWaalsContact O-N 3.11Å; Q84-S87 WeakPolarHBondContact O-CA 3.35Å; Q84-S87 WeakPolarHBondContact O-CB 3.48Å; Q84-S87 PolarHBondContact O-N 2.84Å; Q84-S87 PolarHBondContact O-OG 3.28Å; S87-G89 PolarHBondContact O-N 3.45Å |
| 88 | E | 94.7 | Very high | 96.1 | Very high | 77 Ų | 77 | 46.5 Ų | 46.5 | 36% | 0.36 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -0.5 | 173.9 | -66.7 | 177 | -167 | 0 | 0 | 113.4 | Q84 W85 R86 R90 | Q84-E88 WeakPolarHBondContact CG-OE1 3.4Å; Q84-E88 PolarHBondContact NE2-OE1 2.8Å; Q84-E88 WeakPolarHBondContact O-CG 3.46Å; Q84-E88 PolarHBondContact O-N 3.04Å; W85-E88 PolarHBondContact O-N 3.46Å; R86-E88 PolarHBondContact O-N 2.88Å; E88-R90 HydrophobicContact CB-CG 4.19Å; E88-R90 IonicContact OE2-CZ 3.33Å; E88-R90 IonicContact OE2-NE 3.7Å; E88-R90 PolarHBondContact OE2-NE 2.91Å; E88-R90 IonicContact OE2-NH2 3.63Å; E88-R90 PolarHBondContact OE2-NH2 3.31Å |
| 89 | G | 94.5 | Very high | 96.1 | Very high | 59 Ų | 59 | 51.2 Ų | 51.2 | 61% | 0.608 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 25.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | W85 R86 S87 | W85-G89 PolarHBondContact O-N 2.79Å; R86-G89 PolarHBondContact O-N 3.26Å; S87-G89 PolarHBondContact O-N 3.45Å |
| 90 | R | 95.8 | Very high | 95.9 | Very high | 68 Ų | 68 | 54.1 Ų | 54.1 | 26% | 0.257 | 29% | 0.291 | S | S | . | . | trans | -68.3 | 147.9 | 174.1 | -53.1 | -53.9 | 174.9 | -169.3 | -2.8 | 110.8 | G54 I56 W85 E88 L129 | G54-R90 WeakPolarHBondContact O-CA 3.47Å; I56-R90 HydrophobicContact CD1-CG 4.2Å; I56-R90 HydrophobicContact CG1-CB 4.18Å; I56-R90 HydrophobicContact CG1-CG 3.78Å; W85-R90 HydrophobicContact CB-CB 3.96Å; W85-R90 HydrophobicContact CB-CG 3.69Å; W85-R90 HydrophobicContact CG-CG 4.2Å; W85-R90 VanDerWaalsContact O-CB 3.28Å; W85-R90 WeakPolarHBondContact O-CB 3.48Å; W85-R90 WeakPolarHBondContact O-CG 3.29Å; W85-R90 PolarHBondContact O-N 3.26Å; E88-R90 HydrophobicContact CB-CG 4.19Å; E88-R90 IonicContact OE2-CZ 3.33Å; E88-R90 IonicContact OE2-NE 3.7Å; E88-R90 PolarHBondContact OE2-NE 2.91Å; E88-R90 IonicContact OE2-NH2 3.63Å; E88-R90 PolarHBondContact OE2-NH2 3.31Å; R90-L129 HydrophobicContact CB-CD1 4.11Å; R90-L129 WeakPolarHBondContact O-CB 3.29Å | ||
| 91 | T | 95.5 | Very high | 95.8 | Very high | 42 Ų | 42 | 52.4 Ų | 52.4 | 26% | 0.258 | 28% | 0.275 | S | S | . | . | trans | -96 | -32.2 | -171.1 | 55.6 | 0 | 0 | 0 | 0 | 113 | F53 G54 G55 W128 L129 G130 | F53-T91 PolarHBondContact O-OG1 3.5Å; G54-T91 PolarHBondContact O-N 3.44Å; G54-T91 PolarHBondContact O-OG1 3.27Å; G55-T91 PolarHBondContact N-OG1 2.86Å; T91-W128 WeakPolarHBondContact O-CZ3 3.39Å; T91-L129 WeakPolarHBondContact O-CA 3.18Å; T91-L129 PolarHBondContact O-N 3.39Å; T91-G130 PolarHBondContact O-N 3.31Å | ||
| 92 | A | 97.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.008 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 159.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G55 I56 L127 W128 L136 | G55-A92 CarbonylContact C-O 3.55Å; G55-A92 VanDerWaalsContact CA-O 3.31Å; G55-A92 WeakPolarHBondContact CA-O 3.43Å; I56-A92 PolarHBondContact N-O 2.8Å; A92-L127 CarbonylContact C-O 3.52Å; A92-L127 VanDerWaalsContact CA-O 3.3Å; A92-L127 WeakPolarHBondContact CA-O 3.32Å; A92-W128 HydrophobicContact CB-CE3 4.01Å; A92-W128 HydrophobicContact CB-CZ3 4.27Å; A92-L136 HydrophobicContact CB-CD1 4.12Å; A92-L136 HydrophobicContact CB-CD2 3.55Å; A92-L136 HydrophobicContact CB-CG 4.29Å |
| 93 | V | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 130.4 | 168.9 | -169 | 0 | 0 | 0 | 0 | 108.9 | I56 V58 V82 W85 F113 T126 L127 L129 | I56-V93 CarbonylContact O-C 3.56Å; I56-V93 WeakPolarHBondContact O-CA 3.2Å; V58-V93 HydrophobicContact CG2-CG1 4.35Å; V82-V93 HydrophobicContact CG2-CG2 4.48Å; W85-V93 HydrophobicContact CE3-CG1 4.07Å; W85-V93 HydrophobicContact CE3-CG2 3.6Å; W85-V93 HydrophobicContact CH2-CG1 4.44Å; W85-V93 HydrophobicContact CZ3-CG1 3.66Å; W85-V93 HydrophobicContact CZ3-CG2 4.03Å; V93-F113 HydrophobicContact CB-CE1 3.84Å; V93-F113 HydrophobicContact CB-CZ 3.89Å; V93-F113 HydrophobicContact CG1-CE1 3.79Å; V93-F113 HydrophobicContact CG1-CZ 3.78Å; V93-F113 HydrophobicContact CG2-CZ 4.49Å; V93-T126 CarbonylContact O-C 3.56Å; V93-T126 VanDerWaalsContact O-CA 3.25Å; V93-T126 WeakPolarHBondContact O-CA 3.23Å; V93-L127 HydrophobicContact CB-CB 4.34Å; V93-L127 PolarHBondContact N-O 2.93Å; V93-L127 PolarHBondContact O-N 3.11Å; V93-L129 HydrophobicContact CG2-CD1 3.66Å; V93-L129 HydrophobicContact CG2-CD2 4.31Å; V93-L129 HydrophobicContact CG2-CG 4.08Å |
| 94 | W | 97.8 | Very high | 95.7 | Very high | 39 Ų | 39 | 53.1 Ų | 53.1 | 15% | 0.148 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 124.1 | 170.4 | -53.5 | 86.9 | 0 | 0 | 0 | 108.1 | I56 V58 H116 T124 L125 T126 L136 | I56-W94 PolarHBondContact O-N 2.77Å; V58-W94 PolarHBondContact N-O 2.65Å; W94-H116 AromaticContact CH2-NE2 3.88Å; W94-H116 AromaticContact CZ3-CD2 3.53Å; W94-H116 AromaticContact CZ3-NE2 3.61Å; W94-T124 HydrophobicContact CE3-CG2 4.08Å; W94-L125 WeakPolarHBondContact CA-O 2.88Å; W94-T126 HydrophobicContact CD2-CG2 3.9Å; W94-T126 HydrophobicContact CE3-CG2 3.24Å; W94-T126 HydrophobicContact CH2-CG2 4.2Å; W94-T126 HydrophobicContact CZ3-CG2 3.42Å; W94-T126 VanDerWaalsContact CZ3-CG2 3.42Å; W94-L136 HydrophobicContact CH2-CB 4.37Å; W94-L136 HydrophobicContact CH2-CD2 4.04Å; W94-L136 HydrophobicContact CZ2-CD2 3.43Å; W94-L136 VanDerWaalsContact CZ2-CD2 3.43Å; W94-L136 HydrophobicContact CZ2-CG 4.4Å |
| 95 | L | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 112.7 | -178.3 | -178.6 | 64.2 | 0 | 0 | 0 | 109.2 | V58 L60 F74 L78 I97 A108 F113 T124 L125 | V58-L95 HydrophobicContact CB-CD1 3.88Å; V58-L95 HydrophobicContact CG1-CD1 3.87Å; L60-L95 HydrophobicContact CD1-CD1 4.49Å; L60-L95 HydrophobicContact CD2-CD1 3.93Å; L60-L95 HydrophobicContact CG-CD1 4.08Å; F74-L95 HydrophobicContact CZ-CD1 4.46Å; F74-L95 HydrophobicContact CZ-CD2 4.07Å; L78-L95 HydrophobicContact CD2-CD2 4.05Å; L95-I97 HydrophobicContact CD2-CD1 3.79Å; L95-I97 HydrophobicContact CD2-CG1 4.19Å; L95-I97 HydrophobicContact CG-CD1 4.01Å; L95-I97 HydrophobicContact CG-CG1 3.83Å; L95-A108 HydrophobicContact CD2-CB 3.64Å; L95-F113 HydrophobicContact CB-CD1 4.15Å; L95-F113 HydrophobicContact CB-CE1 3.86Å; L95-F113 HydrophobicContact CD2-CD1 4.42Å; L95-F113 HydrophobicContact CD2-CE1 4.36Å; L95-T124 WeakPolarHBondContact O-CA 3.37Å; L95-L125 HydrophobicContact CB-CB 4.34Å; L95-L125 PolarHBondContact N-O 2.76Å; L95-L125 PolarHBondContact O-N 3.4Å |
| 96 | H | 96.9 | Very high | 95.8 | Very high | 29 Ų | 29 | 52.6 Ų | 52.6 | 13% | 0.134 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 115.8 | 179 | -55.4 | -84.1 | 0 | 0 | 0 | 110.2 | V58 R59 L60 S123 T124 | V58-H96 PolarHBondContact O-N 3.38Å; R59-H96 HydrophobicContact CG-CB 4.33Å; L60-H96 WeakPolarHBondContact CB-O 3.44Å; L60-H96 WeakPolarHBondContact CG-O 3.44Å; L60-H96 PolarHBondContact N-O 3.34Å; H96-S123 CarbonylContact C-O 3.56Å; H96-S123 WeakPolarHBondContact CA-O 3.38Å; H96-T124 PolarHBondContact ND1-OG1 3.02Å |
| 97 | I | 96.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 114.7 | -173.5 | -52.2 | -176.8 | 0 | 0 | 0 | 109.1 | L60 L95 Q101 F104 I105 S123 L125 | L60-I97 HydrophobicContact CD1-CB 4.27Å; L60-I97 HydrophobicContact CD1-CD1 4.38Å; L60-I97 HydrophobicContact CD1-CG1 3.77Å; L60-I97 HydrophobicContact CD1-CG2 4.13Å; L60-I97 HydrophobicContact CG-CG1 4.37Å; L95-I97 HydrophobicContact CD2-CD1 3.79Å; L95-I97 HydrophobicContact CD2-CG1 4.19Å; L95-I97 HydrophobicContact CG-CD1 4.01Å; L95-I97 HydrophobicContact CG-CG1 3.83Å; I97-Q101 HydrophobicContact CG2-CB 4.07Å; I97-Q101 VanDerWaalsContact CG2-O 3.32Å; I97-Q101 WeakPolarHBondContact CG2-O 3.45Å; I97-F104 HydrophobicContact CD1-CB 4.36Å; I97-I105 HydrophobicContact CD1-CG1 3.81Å; I97-I105 HydrophobicContact CG2-CG1 4.3Å; I97-S123 PolarHBondContact N-O 2.95Å; I97-S123 PolarHBondContact O-N 3.02Å; I97-S123 PolarHBondContact O-OG 3.42Å; I97-L125 HydrophobicContact CD1-CD1 4.05Å; I97-L125 HydrophobicContact CG1-CD1 4.48Å |
| 98 | P | 94.9 | Very high | 96.1 | Very high | 30 Ų | 30 | 41.7 Ų | 41.7 | 20% | 0.195 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 149.4 | 171 | -24.6 | 34.6 | 0 | 0 | 0 | 112 | A61 L100 Q101 S102 D121 | A61-P98 HydrophobicContact CB-CG 3.87Å; P98-L100 VanDerWaalsContact C-N 3.25Å; P98-L100 PolarHBondContact O-N 3.37Å; P98-Q101 HydrophobicContact CB-CB 4.43Å; P98-Q101 HydrophobicContact CB-CG 4.19Å; P98-Q101 HydrophobicContact CG-CG 4.36Å; P98-Q101 CarbonylContact O-C 3.5Å; P98-Q101 WeakPolarHBondContact O-CA 3.1Å; P98-Q101 WeakPolarHBondContact O-CB 3.31Å; P98-Q101 PolarHBondContact O-N 2.98Å; P98-S102 PolarHBondContact O-N 3Å; P98-D121 CarbonylContact C-O 3.38Å; P98-D121 WeakPolarHBondContact CA-O 3.45Å |
| 99 | I | 95.6 | Very high | 96.2 | Very high | 99 Ų | 99 | 40.4 Ų | 40.4 | 51% | 0.508 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -58.1 | -37.5 | -174.7 | -166.9 | 169.9 | 0 | 0 | 0 | 112.3 | Q101 S102 D121 | I99-Q101 PolarHBondContact O-N 2.97Å; I99-S102 VanDerWaalsContact O-CB 3.32Å; I99-S102 WeakPolarHBondContact O-CB 3.08Å; I99-S102 PolarHBondContact O-N 3.45Å; I99-S102 PolarHBondContact O-OG 3.04Å; I99-D121 WeakPolarHBondContact CB-O 3.27Å; I99-D121 HydrophobicContact CG2-CB 3.89Å; I99-D121 PolarHBondContact N-O 2.86Å |
| 100 | L | 93 | Very high | 96.4 | Very high | 149 Ų | 149 | 41.2 Ų | 41.2 | 78% | 0.78 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -71.6 | -13.2 | 176.9 | -60.4 | -177.9 | 0 | 0 | 0 | 113.4 | P98 R103 | P98-L100 VanDerWaalsContact C-N 3.25Å; P98-L100 PolarHBondContact O-N 3.37Å; L100-R103 PolarHBondContact O-NH1 3.23Å |
| 101 | Q | 93.4 | Very high | 96.5 | Very high | 18 Ų | 18 | 39.8 Ų | 39.8 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -105.2 | 14.9 | 178.1 | -54.9 | -65.2 | -24.2 | 0 | 0 | 111.7 | L66 D67 I97 P98 I99 R103 F104 | L66-Q101 HydrophobicContact CD1-CG 4.08Å; D67-Q101 PolarHBondContact OD1-NE2 3.22Å; I97-Q101 HydrophobicContact CG2-CB 4.07Å; I97-Q101 VanDerWaalsContact CG2-O 3.32Å; I97-Q101 WeakPolarHBondContact CG2-O 3.45Å; P98-Q101 HydrophobicContact CB-CB 4.43Å; P98-Q101 HydrophobicContact CB-CG 4.19Å; P98-Q101 HydrophobicContact CG-CG 4.36Å; P98-Q101 CarbonylContact O-C 3.5Å; P98-Q101 WeakPolarHBondContact O-CA 3.1Å; P98-Q101 WeakPolarHBondContact O-CB 3.31Å; P98-Q101 PolarHBondContact O-N 2.98Å; I99-Q101 PolarHBondContact O-N 2.97Å; Q101-R103 PolarHBondContact O-N 2.65Å; Q101-F104 HydrophobicContact CB-CD2 4.01Å; Q101-F104 HydrophobicContact CB-CE2 4.23Å; Q101-F104 WeakPolarHBondContact O-CD2 3.32Å; Q101-F104 PolarHBondContact O-N 3.24Å |
| 102 | S | 94.9 | Very high | 96.6 | Very high | 50 Ų | 50 | 39.8 Ų | 39.8 | 35% | 0.35 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -55.9 | -18.7 | -178.7 | -67.5 | 0 | 0 | 0 | 0 | 114.8 | P98 I99 F104 I105 | P98-S102 PolarHBondContact O-N 3Å; I99-S102 VanDerWaalsContact O-CB 3.32Å; I99-S102 WeakPolarHBondContact O-CB 3.08Å; I99-S102 PolarHBondContact O-N 3.45Å; I99-S102 PolarHBondContact O-OG 3.04Å; S102-F104 PolarHBondContact O-N 3.2Å; S102-F104 VanDerWaalsContact O-N 3.08Å; S102-I105 VanDerWaalsContact O-CB 3.26Å; S102-I105 WeakPolarHBondContact O-CB 3.5Å; S102-I105 WeakPolarHBondContact O-CG1 3.12Å; S102-I105 PolarHBondContact O-N 3.11Å |
| 103 | R | 94.8 | Very high | 96.6 | Very high | 101 Ų | 101 | 40.1 Ų | 40.1 | 38% | 0.381 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -56.1 | -21.6 | 172.3 | 67.6 | -178.4 | -179 | -75.9 | -4.2 | 113.8 | L66 L100 Q101 P107 | L66-R103 PolarHBondContact O-NH2 3.45Å; L100-R103 PolarHBondContact O-NH1 3.23Å; Q101-R103 PolarHBondContact O-N 2.65Å; R103-P107 WeakPolarHBondContact O-CD 3.4Å |
| 104 | F | 95.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -85.5 | -10 | 176.9 | -59.8 | -46.8 | 0 | 0 | 0 | 114.3 | L60 L66 L69 F74 I97 Q101 S102 A108 | L60-F104 HydrophobicContact CD1-CB 4.29Å; L60-F104 HydrophobicContact CD1-CD2 3.82Å; L60-F104 HydrophobicContact CD1-CG 4.42Å; L66-F104 HydrophobicContact CD2-CE2 4.03Å; L69-F104 HydrophobicContact CB-CZ 4.15Å; L69-F104 HydrophobicContact CD2-CE1 4.48Å; L69-F104 HydrophobicContact CD2-CZ 4.27Å; L69-F104 HydrophobicContact CG-CE1 4.42Å; L69-F104 HydrophobicContact CG-CZ 4.31Å; L69-F104 WeakPolarHBondContact O-CE1 3.35Å; L69-F104 VanDerWaalsContact O-CZ 3.24Å; L69-F104 WeakPolarHBondContact O-CZ 3.45Å; F74-F104 HydrophobicContact CB-CD1 3.58Å; F74-F104 HydrophobicContact CB-CE1 3.66Å; F74-F104 HydrophobicContact CB-CG 4.48Å; F74-F104 HydrophobicContact CD1-CB 3.8Å; F74-F104 AromaticContact CD1-CD1 3.7Å; F74-F104 HydrophobicContact CD1-CD1 3.7Å; F74-F104 AromaticContact CD1-CG 3.99Å; F74-F104 HydrophobicContact CD1-CG 3.99Å; F74-F104 HydrophobicContact CD2-CD1 4.07Å; F74-F104 HydrophobicContact CD2-CE1 4.44Å; F74-F104 HydrophobicContact CD2-CG 4.18Å; F74-F104 HydrophobicContact CE1-CB 3.68Å; F74-F104 HydrophobicContact CE1-CD1 4.44Å; F74-F104 HydrophobicContact CE1-CG 4.28Å; F74-F104 HydrophobicContact CE2-CB 4.44Å; F74-F104 HydrophobicContact CE2-CG 4.46Å; F74-F104 HydrophobicContact CG-CB 4.24Å; F74-F104 AromaticContact CG-CD1 3.48Å; F74-F104 HydrophobicContact CG-CD1 3.48Å; F74-F104 VanDerWaalsContact CG-CD1 3.48Å; F74-F104 AromaticContact CG-CE1 3.99Å; F74-F104 HydrophobicContact CG-CE1 3.99Å; F74-F104 AromaticContact CG-CG 3.93Å; F74-F104 HydrophobicContact CG-CG 3.93Å; F74-F104 HydrophobicContact CZ-CB 4.02Å; I97-F104 HydrophobicContact CD1-CB 4.36Å; Q101-F104 HydrophobicContact CB-CD2 4.01Å; Q101-F104 HydrophobicContact CB-CE2 4.23Å; Q101-F104 WeakPolarHBondContact O-CD2 3.32Å; Q101-F104 PolarHBondContact O-N 3.24Å; S102-F104 PolarHBondContact O-N 3.2Å; S102-F104 VanDerWaalsContact O-N 3.08Å; F104-A108 WeakPolarHBondContact O-CB 3.3Å; F104-A108 PolarHBondContact O-N 2.84Å; F104-A108 VanDerWaalsContact O-N 3.08Å |
| 105 | I | 97.6 | Very high | 96.6 | Very high | 31 Ų | 31 | 48.8 Ų | 48.8 | 16% | 0.159 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.5 | -48.3 | 178.9 | -67.7 | 171.2 | 0 | 0 | 0 | 110.9 | I97 S102 A108 A109 F115 L125 | I97-I105 HydrophobicContact CD1-CG1 3.81Å; I97-I105 HydrophobicContact CG2-CG1 4.3Å; S102-I105 VanDerWaalsContact O-CB 3.26Å; S102-I105 WeakPolarHBondContact O-CB 3.5Å; S102-I105 WeakPolarHBondContact O-CG1 3.12Å; S102-I105 PolarHBondContact O-N 3.11Å; I105-A108 PolarHBondContact O-N 2.98Å; I105-A109 WeakPolarHBondContact O-CB 3.32Å; I105-A109 PolarHBondContact O-N 2.88Å; I105-F115 HydrophobicContact CD1-CE1 4.29Å; I105-F115 HydrophobicContact CG2-CE1 3.8Å; I105-F115 HydrophobicContact CG2-CZ 3.62Å; I105-L125 HydrophobicContact CG1-CD1 4.41Å; I105-L125 HydrophobicContact CG2-CD2 4.28Å |
| 106 | A | 97.7 | Very high | 96.6 | Very high | 72 Ų | 72 | 50.7 Ų | 50.7 | 60% | 0.595 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.3 | -45.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A108 A109 S110 | A106-A108 PolarHBondContact O-N 2.98Å; A106-A109 PolarHBondContact O-N 2.94Å; A106-S110 PolarHBondContact O-N 2.95Å |
| 107 | P | 97.1 | Very high | 96.6 | Very high | 11 Ų | 11 | 51.2 Ų | 51.2 | 7% | 0.071 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -54.4 | -42.2 | 167.4 | -32.4 | 37.6 | 0 | 0 | 0 | 115.2 | A71 F74 Q75 R103 S110 | A71-P107 HydrophobicContact CB-CG 3.84Å; F74-P107 HydrophobicContact CD1-CB 3.89Å; F74-P107 HydrophobicContact CE1-CB 4.31Å; Q75-P107 HydrophobicContact CB-CB 3.96Å; Q75-P107 HydrophobicContact CG-CB 4.21Å; R103-P107 WeakPolarHBondContact O-CD 3.4Å; P107-S110 PolarHBondContact O-OG 3.45Å |
| 108 | A | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67 | -42.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F74 L78 L95 F104 I105 A106 S110 L111 F113 L125 | F74-A108 HydrophobicContact CE1-CB 4.46Å; L78-A108 HydrophobicContact CD2-CB 3.8Å; L95-A108 HydrophobicContact CD2-CB 3.64Å; F104-A108 WeakPolarHBondContact O-CB 3.3Å; F104-A108 PolarHBondContact O-N 2.84Å; F104-A108 VanDerWaalsContact O-N 3.08Å; I105-A108 PolarHBondContact O-N 2.98Å; A106-A108 PolarHBondContact O-N 2.98Å; A108-S110 VanDerWaalsContact C-N 3.3Å; A108-S110 PolarHBondContact O-N 2.78Å; A108-L111 WeakPolarHBondContact O-CB 3.36Å; A108-L111 PolarHBondContact O-N 3.25Å; A108-F113 HydrophobicContact CB-CB 4.14Å; A108-F113 HydrophobicContact CB-CD2 4.24Å; A108-F113 HydrophobicContact CB-CG 4.18Å; A108-F113 WeakPolarHBondContact O-CB 3.28Å; A108-F113 VanDerWaalsContact O-CD2 3.29Å; A108-F113 WeakPolarHBondContact O-CD2 3.25Å; A108-F113 PolarHBondContact O-N 3.39Å; A108-L125 HydrophobicContact CB-CD2 3.96Å |
| 109 | A | 98.3 | Very high | 96.4 | Very high | 50 Ų | 50 | 58.4 Ų | 58.4 | 41% | 0.413 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.4 | -36.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I105 A106 L111 G112 F113 | I105-A109 WeakPolarHBondContact O-CB 3.32Å; I105-A109 PolarHBondContact O-N 2.88Å; A106-A109 PolarHBondContact O-N 2.94Å; A109-L111 PolarHBondContact O-N 3.37Å; A109-G112 PolarHBondContact O-N 2.78Å; A109-F113 WeakPolarHBondContact CA-O 3.41Å |
| 110 | S | 97.9 | Very high | 96.2 | Very high | 75 Ų | 75 | 59.9 Ų | 59.9 | 52% | 0.524 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.5 | -19.4 | 175.9 | 75.5 | 0 | 0 | 0 | 0 | 113.4 | Q75 A106 P107 A108 G112 | Q75-S110 PolarHBondContact NE2-OG 3.06Å; Q75-S110 VanDerWaalsContact NE2-OG 3.17Å; A106-S110 PolarHBondContact O-N 2.95Å; P107-S110 PolarHBondContact O-OG 3.45Å; A108-S110 VanDerWaalsContact C-N 3.3Å; A108-S110 PolarHBondContact O-N 2.78Å; S110-G112 VanDerWaalsContact C-N 3.34Å |
| 111 | L | 97.8 | Very high | 96.3 | Very high | 38 Ų | 38 | 58 Ų | 58 | 20% | 0.199 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 7.1 | 173 | -60.1 | 176.6 | 0 | 0 | 0 | 113.2 | Q75 L78 Q79 A108 A109 F113 | Q75-L111 HydrophobicContact CG-CD1 4.21Å; Q75-L111 HydrophobicContact CG-CD2 4.46Å; Q75-L111 HydrophobicContact CG-CG 4.31Å; L78-L111 HydrophobicContact CB-CD1 3.87Å; L78-L111 HydrophobicContact CD2-CD1 3.89Å; L78-L111 HydrophobicContact CG-CD1 3.73Å; Q79-L111 HydrophobicContact CB-CD1 4.05Å; Q79-L111 HydrophobicContact CB-CD2 4Å; Q79-L111 HydrophobicContact CG-CD2 4.15Å; A108-L111 WeakPolarHBondContact O-CB 3.36Å; A108-L111 PolarHBondContact O-N 3.25Å; A109-L111 PolarHBondContact O-N 3.37Å; L111-F113 HydrophobicContact CB-CD2 4.3Å |
| 112 | G | 97.4 | Very high | 96.4 | Very high | 43 Ų | 43 | 59 Ų | 59 | 44% | 0.443 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | 8.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | A109 S110 L127 | A109-G112 PolarHBondContact O-N 2.78Å; S110-G112 VanDerWaalsContact C-N 3.34Å; G112-L127 WeakPolarHBondContact O-CD1 3.27Å |
| 113 | F | 98.3 | Very high | 96.5 | Very high | 7 Ų | 7 | 57.1 Ų | 57.1 | 3% | 0.031 | 35% | 0.348 | C | S | . | . | trans | -67.8 | 139.4 | 170.7 | -75.7 | -104.5 | 0 | 0 | 0 | 110.7 | L78 V82 V93 L95 A108 A109 L111 L125 T126 L127 | L78-F113 HydrophobicContact CD1-CE2 4.08Å; L78-F113 HydrophobicContact CD1-CZ 3.94Å; L78-F113 HydrophobicContact CD2-CD2 4.3Å; L78-F113 HydrophobicContact CD2-CE2 3.83Å; L78-F113 HydrophobicContact CD2-CZ 4.31Å; L78-F113 HydrophobicContact CG-CE2 4.05Å; L78-F113 HydrophobicContact CG-CZ 4.41Å; V82-F113 HydrophobicContact CG2-CE2 4Å; V82-F113 HydrophobicContact CG2-CZ 4.1Å; V93-F113 HydrophobicContact CB-CE1 3.84Å; V93-F113 HydrophobicContact CB-CZ 3.89Å; V93-F113 HydrophobicContact CG1-CE1 3.79Å; V93-F113 HydrophobicContact CG1-CZ 3.78Å; V93-F113 HydrophobicContact CG2-CZ 4.49Å; L95-F113 HydrophobicContact CB-CD1 4.15Å; L95-F113 HydrophobicContact CB-CE1 3.86Å; L95-F113 HydrophobicContact CD2-CD1 4.42Å; L95-F113 HydrophobicContact CD2-CE1 4.36Å; A108-F113 HydrophobicContact CB-CB 4.14Å; A108-F113 HydrophobicContact CB-CD2 4.24Å; A108-F113 HydrophobicContact CB-CG 4.18Å; A108-F113 WeakPolarHBondContact O-CB 3.28Å; A108-F113 VanDerWaalsContact O-CD2 3.29Å; A108-F113 WeakPolarHBondContact O-CD2 3.25Å; A108-F113 PolarHBondContact O-N 3.39Å; A109-F113 WeakPolarHBondContact CA-O 3.41Å; L111-F113 HydrophobicContact CB-CD2 4.3Å; F113-L125 HydrophobicContact CB-CB 4.19Å; F113-L125 HydrophobicContact CB-CD2 4.02Å; F113-L125 HydrophobicContact CD1-CB 4.1Å; F113-T126 WeakPolarHBondContact CA-O 3.43Å; F113-L127 HydrophobicContact CD1-CB 3.71Å; F113-L127 HydrophobicContact CD2-CB 3.95Å; F113-L127 HydrophobicContact CD2-CD2 4.07Å; F113-L127 HydrophobicContact CE1-CB 3.63Å; F113-L127 HydrophobicContact CE2-CB 3.89Å; F113-L127 HydrophobicContact CE2-CD2 3.6Å; F113-L127 HydrophobicContact CE2-CG 4.35Å; F113-L127 HydrophobicContact CG-CB 3.87Å; F113-L127 HydrophobicContact CZ-CB 3.72Å; F113-L127 HydrophobicContact CZ-CD2 3.96Å | ||
| 114 | C | 97.6 | Very high | 96.7 | Very high | 81 Ų | 81 | 52.5 Ų | 52.5 | 55% | 0.547 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 154.1 | 174.4 | -67.1 | 0 | 0 | 0 | 0 | 110.5 | H116 L125 T126 | C114-H116 PolarHBondContact O-N 3.15Å; C114-L125 CarbonylContact O-C 3.5Å; C114-L125 VanDerWaalsContact O-CA 3.22Å; C114-L125 WeakPolarHBondContact O-CA 3.42Å; C114-T126 PolarHBondContact N-O 2.98Å; C114-T126 PolarHBondContact O-N 2.96Å |
| 115 | F | 97.6 | Very high | 96.8 | Very high | 141 Ų | 141 | 52.6 Ų | 52.6 | 62% | 0.618 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 135.8 | 168.9 | -72 | -55.8 | 0 | 0 | 0 | 110.9 | I105 L125 | I105-F115 HydrophobicContact CD1-CE1 4.29Å; I105-F115 HydrophobicContact CG2-CE1 3.8Å; I105-F115 HydrophobicContact CG2-CZ 3.62Å; F115-L125 HydrophobicContact CD1-CD1 3.88Å; F115-L125 HydrophobicContact CD1-CG 3.95Å; F115-L125 HydrophobicContact CE1-CD1 3.93Å; F115-L125 HydrophobicContact CE1-CG 4.26Å |
| 116 | H | 97.3 | Very high | 96.8 | Very high | 39 Ų | 39 | 52 Ų | 52 | 18% | 0.181 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | -51.5 | 168.5 | -176.6 | -64.3 | 0 | 0 | 0 | 111 | W94 C114 T124 T126 P137 Y139 | W94-H116 AromaticContact CH2-NE2 3.88Å; W94-H116 AromaticContact CZ3-CD2 3.53Å; W94-H116 AromaticContact CZ3-NE2 3.61Å; C114-H116 PolarHBondContact O-N 3.15Å; H116-T124 HydrophobicContact CB-CG2 4.44Å; H116-T124 WeakPolarHBondContact CB-O 3.43Å; H116-T124 PolarHBondContact N-O 2.85Å; H116-T126 HydrophobicContact CB-CG2 3.83Å; H116-P137 PolarHBondContact NE2-O 2.92Å; H116-Y139 AromaticContact CE1-CD2 3.82Å; H116-Y139 PolarHBondContact CE1-N 3.16Å; H116-Y139 AromaticContact ND1-CD2 3.99Å |
| 117 | H | 96.6 | Very high | 96.9 | Very high | 40 Ų | 40 | 49.1 Ų | 49.1 | 19% | 0.185 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 169.2 | 177.1 | 63.7 | -78.9 | 0 | 0 | 0 | 111.3 | T124 Y139 | H117-T124 WeakPolarHBondContact CE1-CB 3.35Å; H117-T124 PolarHBondContact CE1-OG1 2.95Å; H117-T124 VanDerWaalsContact CE1-OG1 3.25Å; H117-T124 PolarHBondContact N-O 2.81Å; H117-T124 PolarHBondContact NE2-OG1 3.04Å; H117-T124 PolarHBondContact O-N 2.94Å; H117-Y139 HydrophobicContact CB-CD1 3.41Å; H117-Y139 VanDerWaalsContact CB-CD1 3.41Å; H117-Y139 HydrophobicContact CB-CD2 3.74Å; H117-Y139 HydrophobicContact CB-CE1 3.84Å; H117-Y139 HydrophobicContact CB-CE2 4.15Å; H117-Y139 HydrophobicContact CB-CG 3.38Å; H117-Y139 AromaticContact CD2-CE2 3.68Å; H117-Y139 AromaticContact CD2-CZ 3.85Å; H117-Y139 AromaticContact CG-CD2 3.56Å; H117-Y139 AromaticContact CG-CE2 3.74Å; H117-Y139 AromaticContact CG-CG 3.79Å; H117-Y139 AromaticContact ND1-CD2 3.69Å |
| 118 | A | 95.8 | Very high | 96.9 | Very high | 74 Ų | 74 | 51.3 Ų | 51.3 | 61% | 0.612 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 142.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | S122 | A118-S122 CarbonylContact C-O 3.53Å; A118-S122 VanDerWaalsContact CA-O 3.29Å; A118-S122 WeakPolarHBondContact CA-O 3.37Å |
| 119 | E | 91.4 | Very high | 96.8 | Very high | 108 Ų | 108 | 52.5 Ų | 52.5 | 51% | 0.505 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 128.2 | 177.7 | -66.8 | -170.5 | 126.6 | 0 | 0 | 109 | D121 S122 Y139 | E119-D121 PolarHBondContact O-N 2.82Å; E119-S122 PolarHBondContact N-O 3.38Å; E119-S122 PolarHBondContact O-N 3.4Å; E119-Y139 PolarHBondContact OE1-OH 3.19Å |
| 120 | S | 92.3 | Very high | 96.5 | Very high | 130 Ų | 130 | 51.5 Ų | 51.5 | 91% | 0.909 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | -99.9 | 179.1 | -54.9 | 0 | 0 | 0 | 0 | 113 | ||
| 121 | D | 94.6 | Very high | 96.1 | Very high | 108 Ų | 108 | 56.6 Ų | 56.6 | 58% | 0.578 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | 14.6 | -175 | 67.8 | -19.7 | 0 | 0 | 0 | 113.7 | P98 I99 E119 | P98-D121 CarbonylContact C-O 3.38Å; P98-D121 WeakPolarHBondContact CA-O 3.45Å; I99-D121 WeakPolarHBondContact CB-O 3.27Å; I99-D121 HydrophobicContact CG2-CB 3.89Å; I99-D121 PolarHBondContact N-O 2.86Å; E119-D121 PolarHBondContact O-N 2.82Å |
| 122 | S | 95.9 | Very high | 95.8 | Very high | 40 Ų | 40 | 57.7 Ų | 57.7 | 28% | 0.28 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 139.7 | 179.1 | -176.2 | 0 | 0 | 0 | 0 | 112.3 | A118 E119 | A118-S122 CarbonylContact C-O 3.53Å; A118-S122 VanDerWaalsContact CA-O 3.29Å; A118-S122 WeakPolarHBondContact CA-O 3.37Å; E119-S122 PolarHBondContact N-O 3.38Å; E119-S122 PolarHBondContact O-N 3.4Å |
| 123 | S | 97.4 | Very high | 95.6 | Very high | 11 Ų | 11 | 60.9 Ų | 60.9 | 8% | 0.077 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 147.2 | 170.2 | 64.6 | 0 | 0 | 0 | 0 | 110.7 | H96 I97 | H96-S123 CarbonylContact C-O 3.56Å; H96-S123 WeakPolarHBondContact CA-O 3.38Å; I97-S123 PolarHBondContact N-O 2.95Å; I97-S123 PolarHBondContact O-N 3.02Å; I97-S123 PolarHBondContact O-OG 3.42Å |
| 124 | T | 98 | Very high | 95.4 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 3% | 0.025 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 120 | 174.7 | -58.9 | 0 | 0 | 0 | 0 | 108.7 | W94 L95 H96 H116 H117 | W94-T124 HydrophobicContact CE3-CG2 4.08Å; L95-T124 WeakPolarHBondContact O-CA 3.37Å; H96-T124 PolarHBondContact ND1-OG1 3.02Å; H116-T124 HydrophobicContact CB-CG2 4.44Å; H116-T124 WeakPolarHBondContact CB-O 3.43Å; H116-T124 PolarHBondContact N-O 2.85Å; H117-T124 WeakPolarHBondContact CE1-CB 3.35Å; H117-T124 PolarHBondContact CE1-OG1 2.95Å; H117-T124 VanDerWaalsContact CE1-OG1 3.25Å; H117-T124 PolarHBondContact N-O 2.81Å; H117-T124 PolarHBondContact NE2-OG1 3.04Å; H117-T124 PolarHBondContact O-N 2.94Å |
| 125 | L | 98.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 69.4 Ų | 69.4 | 1% | 0.01 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 153.3 | 173.1 | -73.7 | 74.4 | 0 | 0 | 0 | 109.8 | W94 L95 I97 I105 A108 F113 C114 F115 | W94-L125 WeakPolarHBondContact CA-O 2.88Å; L95-L125 HydrophobicContact CB-CB 4.34Å; L95-L125 PolarHBondContact N-O 2.76Å; L95-L125 PolarHBondContact O-N 3.4Å; I97-L125 HydrophobicContact CD1-CD1 4.05Å; I97-L125 HydrophobicContact CG1-CD1 4.48Å; I105-L125 HydrophobicContact CG1-CD1 4.41Å; I105-L125 HydrophobicContact CG2-CD2 4.28Å; A108-L125 HydrophobicContact CB-CD2 3.96Å; F113-L125 HydrophobicContact CB-CB 4.19Å; F113-L125 HydrophobicContact CB-CD2 4.02Å; F113-L125 HydrophobicContact CD1-CB 4.1Å; C114-L125 CarbonylContact O-C 3.5Å; C114-L125 VanDerWaalsContact O-CA 3.22Å; C114-L125 WeakPolarHBondContact O-CA 3.42Å; F115-L125 HydrophobicContact CD1-CD1 3.88Å; F115-L125 HydrophobicContact CD1-CG 3.95Å; F115-L125 HydrophobicContact CE1-CD1 3.93Å; F115-L125 HydrophobicContact CE1-CG 4.26Å |
| 126 | T | 98.2 | Very high | 95 | Very high | 17 Ų | 17 | 64.2 Ų | 64.2 | 10% | 0.104 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 144.3 | 179.2 | 53.3 | 0 | 0 | 0 | 0 | 112.4 | V93 W94 F113 C114 H116 L136 | V93-T126 CarbonylContact O-C 3.56Å; V93-T126 VanDerWaalsContact O-CA 3.25Å; V93-T126 WeakPolarHBondContact O-CA 3.23Å; W94-T126 HydrophobicContact CD2-CG2 3.9Å; W94-T126 HydrophobicContact CE3-CG2 3.24Å; W94-T126 HydrophobicContact CH2-CG2 4.2Å; W94-T126 HydrophobicContact CZ3-CG2 3.42Å; W94-T126 VanDerWaalsContact CZ3-CG2 3.42Å; F113-T126 WeakPolarHBondContact CA-O 3.43Å; C114-T126 PolarHBondContact N-O 2.98Å; C114-T126 PolarHBondContact O-N 2.96Å; H116-T126 HydrophobicContact CB-CG2 3.83Å; T126-L136 HydrophobicContact CG2-CD1 4.03Å |
| 127 | L | 98.1 | Very high | 94.7 | Very high | 13 Ų | 13 | 66.7 Ų | 66.7 | 7% | 0.068 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 121.8 | 167.7 | 176.6 | 64.7 | 0 | 0 | 0 | 108.9 | V82 A92 V93 G112 F113 L129 | V82-L127 HydrophobicContact CG1-CD2 3.71Å; V82-L127 HydrophobicContact CG2-CD2 3.91Å; A92-L127 CarbonylContact C-O 3.52Å; A92-L127 VanDerWaalsContact CA-O 3.3Å; A92-L127 WeakPolarHBondContact CA-O 3.32Å; V93-L127 HydrophobicContact CB-CB 4.34Å; V93-L127 PolarHBondContact N-O 2.93Å; V93-L127 PolarHBondContact O-N 3.11Å; G112-L127 WeakPolarHBondContact O-CD1 3.27Å; F113-L127 HydrophobicContact CD1-CB 3.71Å; F113-L127 HydrophobicContact CD2-CB 3.95Å; F113-L127 HydrophobicContact CD2-CD2 4.07Å; F113-L127 HydrophobicContact CE1-CB 3.63Å; F113-L127 HydrophobicContact CE2-CB 3.89Å; F113-L127 HydrophobicContact CE2-CD2 3.6Å; F113-L127 HydrophobicContact CE2-CG 4.35Å; F113-L127 HydrophobicContact CG-CB 3.87Å; F113-L127 HydrophobicContact CZ-CB 3.72Å; F113-L127 HydrophobicContact CZ-CD2 3.96Å; L127-L129 HydrophobicContact CD2-CD2 3.66Å; L127-L129 HydrophobicContact CG-CD2 3.79Å |
| 128 | W | 97.8 | Very high | 94.4 | Very high | 57 Ų | 57 | 68.1 Ų | 68.1 | 22% | 0.216 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 129.8 | 170.7 | -176.5 | -114.2 | 0 | 0 | 0 | 109.5 | T91 A92 G130 R135 L136 | T91-W128 WeakPolarHBondContact O-CZ3 3.39Å; A92-W128 HydrophobicContact CB-CE3 4.01Å; A92-W128 HydrophobicContact CB-CZ3 4.27Å; W128-G130 VanDerWaalsContact CD1-O 3.27Å; W128-G130 PolarHBondContact NE1-O 3.49Å; W128-G130 VanDerWaalsContact NE1-O 3.07Å; W128-R135 HydrophobicContact CH2-CB 4.12Å; W128-R135 HydrophobicContact CH2-CG 4.49Å; W128-R135 HydrophobicContact CZ2-CB 4.37Å; W128-R135 HydrophobicContact CZ2-CG 4.28Å; W128-L136 HydrophobicContact CE3-CD1 4.37Å; W128-L136 HydrophobicContact CE3-CD2 4.15Å; W128-L136 HydrophobicContact CE3-CG 3.89Å; W128-L136 HydrophobicContact CZ3-CD2 4.22Å; W128-L136 HydrophobicContact CZ3-CG 4.34Å |
| 129 | L | 96.4 | Very high | 94.3 | Very high | 25 Ų | 25 | 69.4 Ų | 69.4 | 13% | 0.131 | 40% | 0.404 | C | S | . | . | trans | -108.3 | -18.6 | -180 | -57.9 | -177.4 | 0 | 0 | 0 | 112.7 | V82 W85 R86 R90 T91 V93 L127 | V82-L129 HydrophobicContact CG1-CD2 3.97Å; W85-L129 HydrophobicContact CB-CD1 4.06Å; R86-L129 HydrophobicContact CG-CB 4.27Å; R86-L129 HydrophobicContact CG-CD1 4.2Å; R86-L129 HydrophobicContact CG-CD2 3.91Å; R86-L129 HydrophobicContact CG-CG 4.36Å; R90-L129 HydrophobicContact CB-CD1 4.11Å; R90-L129 WeakPolarHBondContact O-CB 3.29Å; T91-L129 WeakPolarHBondContact O-CA 3.18Å; T91-L129 PolarHBondContact O-N 3.39Å; V93-L129 HydrophobicContact CG2-CD1 3.66Å; V93-L129 HydrophobicContact CG2-CD2 4.31Å; V93-L129 HydrophobicContact CG2-CG 4.08Å; L127-L129 HydrophobicContact CD2-CD2 3.66Å; L127-L129 HydrophobicContact CG-CD2 3.79Å | ||
| 130 | G | 90.8 | Very high | 94.2 | Very high | 28 Ų | 28 | 67.7 Ų | 67.7 | 29% | 0.289 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -69.9 | 169.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | T91 W128 | T91-G130 PolarHBondContact O-N 3.31Å; W128-G130 VanDerWaalsContact CD1-O 3.27Å; W128-G130 PolarHBondContact NE1-O 3.49Å; W128-G130 VanDerWaalsContact NE1-O 3.07Å |
| 131 | E | 89.9 | Confident | 94.1 | Very high | 183 Ų | 183 | 64.7 Ų | 64.7 | 86% | 0.855 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -71.2 | 145.4 | 175.5 | -62.9 | -170.9 | 165.9 | 0 | 0 | 112.1 | ||
| 132 | G | 91.3 | Very high | 94.1 | Very high | 61 Ų | 61 | 62.6 Ų | 62.6 | 63% | 0.629 | 37% | 0.374 | S | S | * | . | S | Bend | trans | 74.5 | -161.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 133 | P | 93.1 | Very high | 94 | Very high | 109 Ų | 109 | 63.5 Ų | 63.5 | 71% | 0.708 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -65.8 | 145.8 | -177.1 | 27.6 | -34.1 | 0 | 0 | 0 | 111.5 | R135 | P133-R135 PolarHBondContact O-N 3.22Š|
| 134 | S | 94.4 | Very high | 93.9 | Very high | 68 Ų | 68 | 65.2 Ų | 65.2 | 48% | 0.476 | 38% | 0.383 | S | S | . | . | trans | -55.8 | 133.7 | 176.3 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | L136 | S134-L136 PolarHBondContact OG-N 2.84Š| ||
| 135 | R | 93.4 | Very high | 93.9 | Very high | 199 Ų | 199 | 65 Ų | 65 | 75% | 0.751 | 38% | 0.383 | S | S | * | . | trans | -106.5 | 10.8 | 174.5 | -57.5 | -178.7 | -169.9 | 171.3 | 3.3 | 112.3 | W128 P133 | W128-R135 HydrophobicContact CH2-CB 4.12Å; W128-R135 HydrophobicContact CH2-CG 4.49Å; W128-R135 HydrophobicContact CZ2-CB 4.37Å; W128-R135 HydrophobicContact CZ2-CG 4.28Å; P133-R135 PolarHBondContact O-N 3.22Å | ||
| 136 | L | 93.6 | Very high | 93.9 | Very high | 32 Ų | 32 | 65 Ų | 65 | 17% | 0.168 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 132 | 174.9 | -61.5 | 170.3 | 0 | 0 | 0 | 108.4 | A92 W94 T126 W128 S134 | A92-L136 HydrophobicContact CB-CD1 4.12Å; A92-L136 HydrophobicContact CB-CD2 3.55Å; A92-L136 HydrophobicContact CB-CG 4.29Å; W94-L136 HydrophobicContact CH2-CB 4.37Å; W94-L136 HydrophobicContact CH2-CD2 4.04Å; W94-L136 HydrophobicContact CZ2-CD2 3.43Å; W94-L136 VanDerWaalsContact CZ2-CD2 3.43Å; W94-L136 HydrophobicContact CZ2-CG 4.4Å; T126-L136 HydrophobicContact CG2-CD1 4.03Å; W128-L136 HydrophobicContact CE3-CD1 4.37Å; W128-L136 HydrophobicContact CE3-CD2 4.15Å; W128-L136 HydrophobicContact CE3-CG 3.89Å; W128-L136 HydrophobicContact CZ3-CD2 4.22Å; W128-L136 HydrophobicContact CZ3-CG 4.34Å; S134-L136 PolarHBondContact OG-N 2.84Å |
| 137 | P | 90.6 | Very high | 93.9 | Very high | 92 Ų | 92 | 64.2 Ų | 64.2 | 60% | 0.597 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 146.1 | 176.3 | 27.4 | -34 | 0 | 0 | 0 | 109.2 | H116 | H116-P137 PolarHBondContact NE2-O 2.92Š|
| 138 | G | 91.1 | Very high | 93.9 | Very high | 69 Ų | 69 | 63.6 Ų | 63.6 | 71% | 0.711 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 162.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 139 | Y | 92.7 | Very high | 94 | Very high | 102 Ų | 102 | 60.9 Ų | 60.9 | 40% | 0.4 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -70.5 | -172.8 | 169.9 | -160.7 | -123 | 0 | 0 | 0 | 112.2 | H116 H117 E119 S141 | H116-Y139 AromaticContact CE1-CD2 3.82Å; H116-Y139 PolarHBondContact CE1-N 3.16Å; H116-Y139 AromaticContact ND1-CD2 3.99Å; H117-Y139 HydrophobicContact CB-CD1 3.41Å; H117-Y139 VanDerWaalsContact CB-CD1 3.41Å; H117-Y139 HydrophobicContact CB-CD2 3.74Å; H117-Y139 HydrophobicContact CB-CE1 3.84Å; H117-Y139 HydrophobicContact CB-CE2 4.15Å; H117-Y139 HydrophobicContact CB-CG 3.38Å; H117-Y139 AromaticContact CD2-CE2 3.68Å; H117-Y139 AromaticContact CD2-CZ 3.85Å; H117-Y139 AromaticContact CG-CD2 3.56Å; H117-Y139 AromaticContact CG-CE2 3.74Å; H117-Y139 AromaticContact CG-CG 3.79Å; H117-Y139 AromaticContact ND1-CD2 3.69Å; E119-Y139 PolarHBondContact OE1-OH 3.19Å; Y139-S141 PolarHBondContact O-N 3.46Å |
| 140 | A | 91 | Very high | 94.1 | Very high | 71 Ų | 71 | 59.7 Ų | 59.7 | 59% | 0.587 | 36% | 0.358 | S | S | * | . | trans | -49.2 | 122.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 141 | S | 90.4 | Very high | 94.5 | Very high | 68 Ų | 68 | 58.4 Ų | 58.4 | 48% | 0.476 | 35% | 0.345 | S | S | . | . | trans | -107.3 | -22.2 | -173.2 | 57 | 0 | 0 | 0 | 0 | 113.8 | Y139 S221 | Y139-S141 PolarHBondContact O-N 3.46Å; S141-S221 PolarHBondContact O-N 2.76Å | ||
| 142 | H | 93.3 | Very high | 94.9 | Very high | 63 Ų | 63 | 50.5 Ų | 50.5 | 29% | 0.292 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 141.5 | -177.3 | -65.1 | 70.5 | 0 | 0 | 0 | 110.1 | Q210 S221 | H142-Q210 PolarHBondContact NE2-NE2 3.25Å; H142-S221 VanDerWaalsContact CA-O 3.32Å; H142-S221 WeakPolarHBondContact CA-O 3.44Å; H142-S221 WeakPolarHBondContact CD2-CB 3.33Å; H142-S221 WeakPolarHBondContact NE2-CB 3.23Å |
| 143 | Q | 93.8 | Very high | 95.2 | Very high | 60 Ų | 60 | 51.2 Ų | 51.2 | 28% | 0.28 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 146 | 155.1 | -69.7 | -178.4 | -36.8 | 0 | 0 | 108.6 | L177 A217 S221 M223 | Q143-L177 HydrophobicContact CB-CD2 4.17Å; Q143-A217 VanDerWaalsContact OE1-CB 3.22Å; Q143-S221 PolarHBondContact N-O 2.88Å; Q143-S221 VanDerWaalsContact N-O 3.1Å; Q143-M223 PolarHBondContact O-N 3.18Å |
| 144 | V | 96.3 | Very high | 95.4 | Very high | 46 Ų | 46 | 50.9 Ų | 50.9 | 28% | 0.279 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 119.3 | 174 | -178.7 | 0 | 0 | 0 | 0 | 108 | V146 S178 M223 I225 | V144-V146 HydrophobicContact CG1-CG2 4.36Å; V144-S178 PolarHBondContact O-N 2.96Å; V144-S178 PolarHBondContact O-OG 2.82Å; V144-M223 CarbonylContact C-O 3.57Å; V144-M223 VanDerWaalsContact CA-O 3.31Å; V144-M223 WeakPolarHBondContact CA-O 3.19Å; V144-I225 HydrophobicContact CG1-CD1 3.96Å; V144-I225 HydrophobicContact CG1-CG1 4.46Å |
| 145 | G | 97.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 152.5 | 168 | 0 | 0 | 0 | 0 | 0 | 111 | G176 M223 Y224 I225 | G145-G176 CarbonylContact C-O 3.55Å; G145-G176 WeakPolarHBondContact CA-O 3.46Å; G145-M223 PolarHBondContact N-O 2.76Å; G145-Y224 CarbonylContact O-C 3.59Å; G145-Y224 VanDerWaalsContact O-CA 3.28Å; G145-Y224 WeakPolarHBondContact O-CA 3.34Å; G145-I225 PolarHBondContact O-N 2.81Å |
| 146 | V | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 136.3 | -179.7 | -167.9 | 0 | 0 | 0 | 0 | 110.3 | V144 G175 G176 I184 T187 A188 I225 C227 | V144-V146 HydrophobicContact CG1-CG2 4.36Å; V146-G175 CarbonylContact O-C 3.57Å; V146-G175 WeakPolarHBondContact O-CA 3.34Å; V146-G176 PolarHBondContact N-O 3.25Å; V146-G176 PolarHBondContact O-N 3.13Å; V146-G176 VanDerWaalsContact O-N 3.12Å; V146-I184 HydrophobicContact CG1-CG2 3.78Å; V146-I184 HydrophobicContact CG2-CG2 3.97Å; V146-T187 HydrophobicContact CB-CG2 3.69Å; V146-T187 HydrophobicContact CG2-CG2 3.68Å; V146-A188 HydrophobicContact CG1-CB 3.71Å; V146-I225 CarbonylContact C-O 3.48Å; V146-I225 VanDerWaalsContact CA-O 3.24Å; V146-I225 WeakPolarHBondContact CA-O 3.45Å; V146-C227 WeakPolarHBondContact CG1-SG 3.23Å |
| 147 | A | 98.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 146.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F173 P174 Y224 I225 I226 C227 | A147-F173 HydrophobicContact CB-CB 4.06Å; A147-P174 VanDerWaalsContact CA-O 3.3Å; A147-P174 WeakPolarHBondContact CA-O 3.38Å; A147-Y224 HydrophobicContact CB-CE1 3.54Å; A147-Y224 WeakPolarHBondContact CB-OH 3.15Å; A147-I225 PolarHBondContact N-O 3.33Å; A147-I226 HydrophobicContact CB-CG1 4.3Å; A147-I226 HydrophobicContact CB-CG2 4.37Å; A147-C227 PolarHBondContact O-N 3.35Å |
| 148 | G | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 107.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V150 P174 | G148-V150 PolarHBondContact O-N 2.84Å; G148-P174 PolarHBondContact N-O 2.91Å; G148-P174 WeakPolarHBondContact O-CD 3.4Å |
| 149 | A | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 87 | 167 | 0 | 0 | 0 | 0 | 0 | 109.3 | F151 I158 F173 L206 I226 C227 L229 L271 | A149-F151 PolarHBondContact O-N 2.96Å; A149-I158 HydrophobicContact CB-CD1 4.23Å; A149-F173 HydrophobicContact CB-CD1 4.02Å; A149-F173 HydrophobicContact CB-CD2 4.28Å; A149-F173 HydrophobicContact CB-CE1 4.02Å; A149-F173 HydrophobicContact CB-CE2 4.27Å; A149-F173 HydrophobicContact CB-CG 4.17Å; A149-F173 HydrophobicContact CB-CZ 4.15Å; A149-L206 HydrophobicContact CB-CD1 4.2Å; A149-I226 HydrophobicContact CB-CG2 4.43Å; A149-C227 WeakPolarHBondContact CB-O 3.48Å; A149-C227 PolarHBondContact N-O 3.37Å; A149-L229 PolarHBondContact O-N 3.24Å; A149-L271 HydrophobicContact CB-CD1 3.99Å |
| 150 | V | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 104.2 | -177.7 | -168.8 | 0 | 0 | 0 | 0 | 109.8 | G148 I158 L159 V192 I198 L229 P231 W248 | G148-V150 PolarHBondContact O-N 2.84Å; V150-I158 WeakPolarHBondContact O-CD1 3.38Å; V150-L159 HydrophobicContact CB-CB 3.82Å; V150-L159 HydrophobicContact CB-CD2 4.14Å; V150-L159 HydrophobicContact CG2-CB 4.38Å; V150-L159 HydrophobicContact CG2-CD2 3.99Å; V150-L159 PolarHBondContact O-N 2.64Å; V150-V192 HydrophobicContact CG2-CB 4.25Å; V150-V192 HydrophobicContact CG2-CG1 3.58Å; V150-V192 HydrophobicContact CG2-CG2 3.56Å; V150-I198 HydrophobicContact CG1-CG2 4.32Å; V150-L229 WeakPolarHBondContact CA-O 3.49Å; V150-L229 HydrophobicContact CB-CB 4.44Å; V150-L229 HydrophobicContact CG2-CB 4.07Å; V150-L229 HydrophobicContact CG2-CD1 3.9Å; V150-P231 HydrophobicContact CG1-CB 3.67Å; V150-P231 HydrophobicContact CG1-CG 3.95Å; V150-W248 HydrophobicContact CB-CH2 4.45Å; V150-W248 HydrophobicContact CG1-CH2 3.82Å; V150-W248 HydrophobicContact CG1-CZ3 4.37Å; V150-W248 WeakPolarHBondContact O-CZ3 3.43Å |
| 151 | F | 98.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 121.8 | -174.5 | -178.1 | -119.3 | 0 | 0 | 0 | 111.3 | A149 E153 R156 K157 I158 L229 P231 L251 Y275 F279 | A149-F151 PolarHBondContact O-N 2.96Å; F151-E153 HydrophobicContact CD1-CG 3.69Å; F151-E153 HydrophobicContact CE1-CB 4.22Å; F151-E153 HydrophobicContact CE1-CG 3.68Å; F151-R156 HydrophobicContact CE2-CG 4.29Å; F151-R156 HydrophobicContact CZ-CG 4.16Å; F151-K157 VanDerWaalsContact CD2-O 3.29Å; F151-K157 WeakPolarHBondContact CD2-O 3.18Å; F151-I158 HydrophobicContact CB-CD1 3.86Å; F151-I158 HydrophobicContact CD2-CB 4.29Å; F151-I158 HydrophobicContact CD2-CD1 4.28Å; F151-L229 PolarHBondContact N-O 3.26Å; F151-P231 WeakPolarHBondContact O-CD 2.93Å; F151-L251 HydrophobicContact CD2-CD2 4.2Å; F151-L251 HydrophobicContact CE2-CB 4Å; F151-L251 HydrophobicContact CE2-CD2 3.58Å; F151-L251 HydrophobicContact CE2-CG 4.31Å; F151-L251 HydrophobicContact CZ-CD2 3.84Å; F151-Y275 AromaticContact CE1-CD2 3.66Å; F151-Y275 HydrophobicContact CE1-CD2 3.66Å; F151-Y275 HydrophobicContact CE1-CE2 4.46Å; F151-Y275 HydrophobicContact CE1-CG 4.12Å; F151-Y275 AromaticContact CZ-CD2 3.71Å; F151-Y275 HydrophobicContact CZ-CD2 3.71Å; F151-Y275 HydrophobicContact CZ-CE2 4.3Å; F151-Y275 AromaticContact CZ-CG 3.96Å; F151-Y275 HydrophobicContact CZ-CG 3.96Å; F151-F279 HydrophobicContact CD1-CE1 4.42Å; F151-F279 AromaticContact CD1-CZ 3.81Å; F151-F279 HydrophobicContact CD1-CZ 3.81Å; F151-F279 AromaticContact CE1-CZ 3.75Å; F151-F279 HydrophobicContact CE1-CZ 3.75Å |
| 152 | D | 98.6 | Very high | 97.7 | Very high | 17 Ų | 17 | 29.4 Ų | 29.4 | 9% | 0.091 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 102.6 | 169.9 | 178.5 | 3.8 | 0 | 0 | 0 | 109.4 | S154 T155 R156 K157 P231 F234 W248 | D152-S154 PolarHBondContact O-N 3.4Å; D152-S154 WeakPolarHBondContact OD1-CB 3.16Å; D152-S154 PolarHBondContact OD1-N 3.14Å; D152-S154 PolarHBondContact OD1-OG 2.98Å; D152-S154 PolarHBondContact OD2-OG 3.02Å; D152-T155 PolarHBondContact O-N 3.32Å; D152-T155 VanDerWaalsContact OD2-CG2 3.31Å; D152-T155 WeakPolarHBondContact OD2-CG2 3.5Å; D152-T155 PolarHBondContact OD2-OG1 3.37Å; D152-R156 VanDerWaalsContact O-CA 3.3Å; D152-R156 WeakPolarHBondContact O-CA 3.33Å; D152-R156 PolarHBondContact O-N 3.31Å; D152-K157 PolarHBondContact N-O 3.45Å; D152-K157 PolarHBondContact O-N 2.89Å; D152-P231 HydrophobicContact CB-CG 3.96Å; D152-F234 HydrophobicContact CB-CE1 4.37Å; D152-W248 HydrophobicContact CB-CZ3 4.45Å |
| 153 | E | 97.7 | Very high | 97.6 | Very high | 76 Ų | 76 | 27.5 Ų | 27.5 | 36% | 0.355 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -28.7 | 179.3 | -61.2 | 173.7 | -154.2 | 0 | 0 | 112.5 | F151 R228 Y275 F279 | F151-E153 HydrophobicContact CD1-CG 3.69Å; F151-E153 HydrophobicContact CE1-CB 4.22Å; F151-E153 HydrophobicContact CE1-CG 3.68Å; E153-R228 IonicContact OE1-NH1 3.47Å; E153-R228 PolarHBondContact OE1-NH1 3.42Å; E153-Y275 WeakPolarHBondContact O-CE2 3.36Å; E153-F279 HydrophobicContact CG-CE2 3.76Å; E153-F279 HydrophobicContact CG-CZ 4.02Å; E153-F279 WeakPolarHBondContact OE1-CE2 3.36Å |
| 154 | S | 97.7 | Very high | 97.2 | Very high | 101 Ų | 101 | 31.5 Ų | 31.5 | 71% | 0.706 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -32.4 | -176.5 | 73.4 | 0 | 0 | 0 | 0 | 112.8 | D152 | D152-S154 PolarHBondContact O-N 3.4Å; D152-S154 WeakPolarHBondContact OD1-CB 3.16Å; D152-S154 PolarHBondContact OD1-N 3.14Å; D152-S154 PolarHBondContact OD1-OG 2.98Å; D152-S154 PolarHBondContact OD2-OG 3.02Å |
| 155 | T | 98.2 | Very high | 96.3 | Very high | 67 Ų | 67 | 35.9 Ų | 35.9 | 41% | 0.411 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -6 | -179.1 | 63.8 | 0 | 0 | 0 | 0 | 113.2 | D152 K157 | D152-T155 PolarHBondContact O-N 3.32Å; D152-T155 VanDerWaalsContact OD2-CG2 3.31Å; D152-T155 WeakPolarHBondContact OD2-CG2 3.5Å; D152-T155 PolarHBondContact OD2-OG1 3.37Å; T155-K157 PolarHBondContact O-N 2.73Å; T155-K157 WeakPolarHBondContact OG1-CB 3.48Å; T155-K157 WeakPolarHBondContact OG1-CG 3.49Å; T155-K157 PolarHBondContact OG1-N 2.75Å |
| 156 | R | 98.3 | Very high | 95.3 | Very high | 86 Ų | 86 | 41.2 Ų | 41.2 | 33% | 0.325 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 27.2 | -171.6 | -161.6 | -177.6 | 62.5 | -159.4 | -4.6 | 112.7 | F151 D152 D250 L251 N252 Y275 | F151-R156 HydrophobicContact CE2-CG 4.29Å; F151-R156 HydrophobicContact CZ-CG 4.16Å; D152-R156 VanDerWaalsContact O-CA 3.3Å; D152-R156 WeakPolarHBondContact O-CA 3.33Å; D152-R156 PolarHBondContact O-N 3.31Å; R156-D250 IonicContact CZ-OD2 3.83Å; R156-D250 IonicContact NE-OD1 2.77Å; R156-D250 IonicContact NE-OD2 3.36Å; R156-D250 PolarHBondContact NE-OD2 2.92Å; R156-D250 VanDerWaalsContact NE-OD2 3.09Å; R156-D250 IonicContact NH2-OD1 2.94Å; R156-D250 IonicContact NH2-OD2 3.4Å; R156-D250 PolarHBondContact NH2-OD2 3.28Å; R156-L251 HydrophobicContact CG-CB 4.19Å; R156-L251 WeakPolarHBondContact O-CB 3.22Å; R156-L251 PolarHBondContact O-N 3.2Å; R156-N252 PolarHBondContact NE-ND2 3.36Å; R156-N252 PolarHBondContact NH1-ND2 2.91Å; R156-N252 PolarHBondContact NH2-ND2 3.24Å; R156-Y275 HydrophobicContact CG-CD1 4.18Å; R156-Y275 HydrophobicContact CG-CE1 3.88Å |
| 157 | K | 98.8 | Very high | 93.3 | Very high | 91 Ų | 91 | 48.8 Ų | 48.8 | 40% | 0.396 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 144.7 | 178.8 | -63.6 | -166.9 | -177.6 | -169 | 0 | 111.8 | F151 D152 T155 W248 M249 | F151-K157 VanDerWaalsContact CD2-O 3.29Å; F151-K157 WeakPolarHBondContact CD2-O 3.18Å; D152-K157 PolarHBondContact N-O 3.45Å; D152-K157 PolarHBondContact O-N 2.89Å; T155-K157 PolarHBondContact O-N 2.73Å; T155-K157 WeakPolarHBondContact OG1-CB 3.48Å; T155-K157 WeakPolarHBondContact OG1-CG 3.49Å; T155-K157 PolarHBondContact OG1-N 2.75Å; K157-W248 HydrophobicContact CB-CB 4.16Å; K157-W248 HydrophobicContact CB-CE3 4.09Å; K157-W248 HydrophobicContact CD-CB 3.8Å; K157-M249 CarbonylContact C-O 3.03Å; K157-M249 VanDerWaalsContact CA-O 3.23Å; K157-M249 WeakPolarHBondContact CA-O 3.49Å |
| 158 | I | 98.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 134.9 | 178.6 | -176.2 | 75.9 | 0 | 0 | 0 | 109.3 | A149 V150 F151 V160 F173 M249 L251 L254 L271 | A149-I158 HydrophobicContact CB-CD1 4.23Å; V150-I158 WeakPolarHBondContact O-CD1 3.38Å; F151-I158 HydrophobicContact CB-CD1 3.86Å; F151-I158 HydrophobicContact CD2-CB 4.29Å; F151-I158 HydrophobicContact CD2-CD1 4.28Å; I158-V160 HydrophobicContact CG2-CG1 4.41Å; I158-F173 HydrophobicContact CD1-CE1 4.12Å; I158-F173 HydrophobicContact CG1-CD1 4.43Å; I158-F173 HydrophobicContact CG1-CE1 3.82Å; I158-M249 HydrophobicContact CG2-CB 4.35Å; I158-M249 WeakPolarHBondContact CG2-O 3.26Å; I158-M249 PolarHBondContact N-O 2.8Å; I158-M249 PolarHBondContact O-N 3.31Å; I158-L251 HydrophobicContact CB-CD1 4.22Å; I158-L251 HydrophobicContact CG2-CB 4.48Å; I158-L251 HydrophobicContact CG2-CD1 4.08Å; I158-L254 HydrophobicContact CG1-CD2 4.19Å; I158-L254 HydrophobicContact CG2-CB 4.17Å; I158-L254 HydrophobicContact CG2-CD2 3.64Å; I158-L271 HydrophobicContact CD1-CD1 3.92Å |
| 159 | L | 98.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 125.9 | 177 | -167.1 | 65.5 | 0 | 0 | 0 | 110.1 | V150 V192 T196 I198 I236 W248 | V150-L159 HydrophobicContact CB-CB 3.82Å; V150-L159 HydrophobicContact CB-CD2 4.14Å; V150-L159 HydrophobicContact CG2-CB 4.38Å; V150-L159 HydrophobicContact CG2-CD2 3.99Å; V150-L159 PolarHBondContact O-N 2.64Å; L159-V192 HydrophobicContact CD2-CG1 4.27Å; L159-T196 HydrophobicContact CD2-CG2 3.78Å; L159-T196 WeakPolarHBondContact CD2-OG1 3.19Å; L159-T196 HydrophobicContact CG-CG2 4.3Å; L159-I198 HydrophobicContact CD1-CG1 4.16Å; L159-I198 HydrophobicContact CD2-CB 3.9Å; L159-I198 HydrophobicContact CD2-CG1 3.73Å; L159-I198 HydrophobicContact CD2-CG2 4.27Å; L159-I236 HydrophobicContact CD1-CD1 3.88Å; L159-I236 HydrophobicContact CD1-CG1 4.15Å; L159-W248 HydrophobicContact CB-CE3 4.02Å; L159-W248 HydrophobicContact CB-CH2 4Å; L159-W248 HydrophobicContact CB-CZ3 3.71Å; L159-W248 HydrophobicContact CD1-CD2 4.02Å; L159-W248 HydrophobicContact CD1-CE3 4.29Å; L159-W248 HydrophobicContact CD1-CH2 4.37Å; L159-W248 HydrophobicContact CD1-CZ2 4.11Å; L159-W248 HydrophobicContact CD1-CZ3 4.47Å |
| 160 | V | 98.5 | Very high | 91 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 151.8 | 178.8 | -69.1 | 0 | 0 | 0 | 0 | 111.2 | I158 W171 K172 C246 E247 M249 L254 | I158-V160 HydrophobicContact CG2-CG1 4.41Å; V160-W171 HydrophobicContact CB-CB 4.39Å; V160-W171 HydrophobicContact CB-CD2 4.4Å; V160-W171 HydrophobicContact CB-CE3 3.75Å; V160-W171 HydrophobicContact CB-CZ3 4.45Å; V160-W171 HydrophobicContact CG2-CD2 3.95Å; V160-W171 HydrophobicContact CG2-CE3 3.4Å; V160-W171 VanDerWaalsContact CG2-CE3 3.4Å; V160-W171 HydrophobicContact CG2-CG 4.49Å; V160-W171 HydrophobicContact CG2-CZ3 3.83Å; V160-K172 WeakPolarHBondContact CA-O 3.3Å; V160-C246 WeakPolarHBondContact O-CA 3.35Å; V160-E247 WeakPolarHBondContact CG2-O 3.29Å; V160-E247 PolarHBondContact N-O 2.82Å; V160-E247 PolarHBondContact O-N 2.85Å; V160-M249 HydrophobicContact CG2-CB 3.75Å; V160-M249 HydrophobicContact CG2-CE 3.93Å; V160-M249 HydrophobicContact CG2-SD 4.36Å; V160-L254 HydrophobicContact CG1-CD1 4.05Å; V160-L254 HydrophobicContact CG1-CD2 3.65Å; V160-L254 HydrophobicContact CG1-CG 4.46Å |
| 161 | V | 97.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 157.7 | 178.5 | -60.8 | 0 | 0 | 0 | 0 | 110.9 | K172 P174 T196 R245 C246 | V161-K172 HydrophobicContact CG2-CD 4.24Å; V161-K172 HydrophobicContact CG2-CG 3.71Å; V161-K172 PolarHBondContact N-O 2.93Å; V161-K172 PolarHBondContact O-N 2.77Å; V161-P174 HydrophobicContact CG1-CB 4.37Å; V161-P174 HydrophobicContact CG2-CB 4.43Å; V161-T196 HydrophobicContact CG1-CG2 3.72Å; V161-R245 CarbonylContact C-O 3.5Å; V161-R245 VanDerWaalsContact CA-O 3.27Å; V161-R245 WeakPolarHBondContact CA-O 3.45Å; V161-C246 HydrophobicContact CG1-CB 4.07Å |
| 162 | Q | 95.6 | Very high | 90.8 | Very high | 6 Ų | 6 | 65.8 Ų | 65.8 | 3% | 0.028 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 128.7 | 165.5 | -69.5 | -176.9 | -23.5 | 0 | 0 | 109.1 | N169 W171 C243 L244 R245 | Q162-N169 PolarHBondContact NE2-O 3.1Å; Q162-W171 HydrophobicContact CG-CD2 3.75Å; Q162-W171 HydrophobicContact CG-CE3 3.51Å; Q162-W171 HydrophobicContact CG-CG 4.45Å; Q162-W171 HydrophobicContact CG-CH2 4.06Å; Q162-W171 HydrophobicContact CG-CZ2 4.29Å; Q162-W171 HydrophobicContact CG-CZ3 3.68Å; Q162-W171 VanDerWaalsContact NE2-CE2 3.3Å; Q162-C243 CarbonylContact O-C 3.51Å; Q162-C243 WeakPolarHBondContact O-CA 3.47Å; Q162-L244 HydrophobicContact CB-CB 4.46Å; Q162-L244 PolarHBondContact O-N 2.78Å; Q162-R245 HydrophobicContact CB-CB 4.37Å; Q162-R245 PolarHBondContact N-O 2.86Å |
| 163 | D | 90.6 | Very high | 90.8 | Very high | 24 Ų | 24 | 65.3 Ų | 65.3 | 13% | 0.128 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 135.2 | 177.4 | -73.7 | -29.1 | 0 | 0 | 0 | 111.3 | K166 K172 | D163-K166 HydrophobicContact CB-CB 4.05Å; D163-K166 HydrophobicContact CB-CD 3.99Å; D163-K166 HydrophobicContact CB-CG 3.89Å; D163-K166 VanDerWaalsContact OD2-CD 3.24Å; D163-K166 WeakPolarHBondContact OD2-CD 3.45Å; D163-K166 WeakPolarHBondContact OD2-CE 3.37Å; D163-K166 IonicContact OD2-NZ 2.78Å; D163-K166 PolarHBondContact OD2-NZ 2.83Å; D163-K172 VanDerWaalsContact CG-NZ 3.31Å; D163-K172 WeakPolarHBondContact OD1-CE 3.24Å; D163-K172 IonicContact OD1-NZ 3.88Å; D163-K172 PolarHBondContact OD1-NZ 2.98Å; D163-K172 IonicContact OD2-NZ 2.94Å; D163-K172 PolarHBondContact OD2-NZ 3.28Å |
| 164 | R | 86.6 | Confident | 90.8 | Very high | 143 Ų | 143 | 61.7 Ų | 61.7 | 54% | 0.54 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -36.5 | 176.2 | -171.8 | 174.3 | -175.3 | 134.9 | 5 | 113 | Q240 E242 L244 | R164-Q240 WeakPolarHBondContact CD-O 3.32Å; R164-Q240 PolarHBondContact NH1-O 3.27Å; R164-E242 WeakPolarHBondContact CB-O 3.48Å; R164-E242 PolarHBondContact N-O 3.39Å; R164-L244 HydrophobicContact CB-CB 4.4Å |
| 165 | N | 78 | Confident | 90.8 | Very high | 138 Ų | 138 | 57.4 Ų | 57.4 | 74% | 0.738 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | 13.4 | -169.9 | -62.7 | -36.5 | 0 | 0 | 0 | 113.7 | ||
| 166 | K | 74.4 | Confident | 90.7 | Very high | 113 Ų | 113 | 55.2 Ų | 55.2 | 49% | 0.491 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -106.6 | 142.6 | 177.5 | -74.1 | -170.6 | -179 | 152 | 0 | 112 | D163 K168 | D163-K166 HydrophobicContact CB-CB 4.05Å; D163-K166 HydrophobicContact CB-CD 3.99Å; D163-K166 HydrophobicContact CB-CG 3.89Å; D163-K166 VanDerWaalsContact OD2-CD 3.24Å; D163-K166 WeakPolarHBondContact OD2-CD 3.45Å; D163-K166 WeakPolarHBondContact OD2-CE 3.37Å; D163-K166 IonicContact OD2-NZ 2.78Å; D163-K166 PolarHBondContact OD2-NZ 2.83Å; K166-K168 PolarHBondContact O-N 3.12Å |
| 167 | L | 57.4 | Low | 90.6 | Very high | 159 Ų | 159 | 53.7 Ų | 53.7 | 83% | 0.832 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -66.1 | -17.6 | -176.6 | -66.4 | 171.1 | 0 | 0 | 0 | 114.4 | M1 | M1-L167 HydrophobicContact CE-CD1 4.42Å; M1-L167 HydrophobicContact SD-CD1 4.28Å |
| 168 | K | 75.1 | Confident | 90.6 | Very high | 166 Ų | 166 | 51.2 Ų | 51.2 | 72% | 0.722 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -126.4 | 122.9 | 178 | -67.9 | -172 | 177.9 | -174.4 | 0 | 109.5 | K166 M170 | K166-K168 PolarHBondContact O-N 3.12Å; K168-M170 VanDerWaalsContact C-N 3.27Å; K168-M170 HydrophobicContact CB-CG 4.03Å; K168-M170 PolarHBondContact O-N 3.26Å |
| 169 | N | 79.8 | Confident | 90.4 | Very high | 82 Ų | 82 | 54.7 Ų | 54.7 | 44% | 0.439 | 27% | 0.27 | S | S | . | . | trans | -73.7 | 79.2 | 176.1 | -66 | -23.9 | 0 | 0 | 0 | 110.1 | Q162 | Q162-N169 PolarHBondContact NE2-O 3.1Š| ||
| 170 | M | 93.3 | Very high | 90.1 | Very high | 57 Ų | 57 | 60.9 Ų | 60.9 | 28% | 0.281 | 31% | 0.311 | S | S | . | . | trans | -104.2 | 134.3 | 178.3 | -63.6 | -73.3 | -91.7 | 0 | 0 | 109.3 | K168 N259 T260 | K168-M170 VanDerWaalsContact C-N 3.27Å; K168-M170 HydrophobicContact CB-CG 4.03Å; K168-M170 PolarHBondContact O-N 3.26Å; M170-N259 VanDerWaalsContact SD-C 3.56Å; M170-T260 WeakPolarHBondContact CE-O 3.37Å | ||
| 171 | W | 97 | Very high | 89.8 | Confident | 19 Ų | 19 | 65 Ų | 65 | 7% | 0.072 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -65.9 | 135.4 | 171.8 | -65.3 | 111.5 | 0 | 0 | 0 | 110.7 | V160 Q162 R245 E247 M249 L254 N259 T260 | V160-W171 HydrophobicContact CB-CB 4.39Å; V160-W171 HydrophobicContact CB-CD2 4.4Å; V160-W171 HydrophobicContact CB-CE3 3.75Å; V160-W171 HydrophobicContact CB-CZ3 4.45Å; V160-W171 HydrophobicContact CG2-CD2 3.95Å; V160-W171 HydrophobicContact CG2-CE3 3.4Å; V160-W171 VanDerWaalsContact CG2-CE3 3.4Å; V160-W171 HydrophobicContact CG2-CG 4.49Å; V160-W171 HydrophobicContact CG2-CZ3 3.83Å; Q162-W171 HydrophobicContact CG-CD2 3.75Å; Q162-W171 HydrophobicContact CG-CE3 3.51Å; Q162-W171 HydrophobicContact CG-CG 4.45Å; Q162-W171 HydrophobicContact CG-CH2 4.06Å; Q162-W171 HydrophobicContact CG-CZ2 4.29Å; Q162-W171 HydrophobicContact CG-CZ3 3.68Å; Q162-W171 VanDerWaalsContact NE2-CE2 3.3Å; W171-R245 HydrophobicContact CH2-CB 3.8Å; W171-R245 HydrophobicContact CZ3-CB 4.09Å; W171-E247 HydrophobicContact CH2-CB 4.1Å; W171-E247 VanDerWaalsContact CH2-CD 3.42Å; W171-E247 HydrophobicContact CH2-CG 3.84Å; W171-E247 WeakPolarHBondContact CH2-OE1 3.4Å; W171-E247 HydrophobicContact CZ3-CB 4.32Å; W171-E247 HydrophobicContact CZ3-CG 4.4Å; W171-M249 HydrophobicContact CD2-CE 3.66Å; W171-M249 HydrophobicContact CE3-CE 4.4Å; W171-M249 HydrophobicContact CG-CE 3.77Å; W171-M249 HydrophobicContact CZ2-CE 3.95Å; W171-M249 VanDerWaalsContact NE1-CE 3.29Å; W171-L254 HydrophobicContact CB-CD1 4.03Å; W171-N259 VanDerWaalsContact CD1-O 3.29Å; W171-N259 PolarHBondContact N-O 2.88Å; W171-T260 PolarHBondContact O-OG1 2.63Å |
| 172 | K | 96.8 | Very high | 89.8 | Confident | 36 Ų | 36 | 67.2 Ų | 67.2 | 16% | 0.157 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -140.1 | 168.4 | 174.1 | 64.5 | 165.3 | -158.2 | 171.8 | 0 | 109.8 | V160 V161 D163 E195 | V160-K172 WeakPolarHBondContact CA-O 3.3Å; V161-K172 HydrophobicContact CG2-CD 4.24Å; V161-K172 HydrophobicContact CG2-CG 3.71Å; V161-K172 PolarHBondContact N-O 2.93Å; V161-K172 PolarHBondContact O-N 2.77Å; D163-K172 VanDerWaalsContact CG-NZ 3.31Å; D163-K172 WeakPolarHBondContact OD1-CE 3.24Å; D163-K172 IonicContact OD1-NZ 3.88Å; D163-K172 PolarHBondContact OD1-NZ 2.98Å; D163-K172 IonicContact OD2-NZ 2.94Å; D163-K172 PolarHBondContact OD2-NZ 3.28Å; K172-E195 IonicContact NZ-OE1 2.81Å; K172-E195 IonicContact NZ-OE2 3.66Å |
| 173 | F | 98.3 | Very high | 89.8 | Confident | 8 Ų | 8 | 69.6 Ų | 69.6 | 4% | 0.035 | 38% | 0.377 | C | S | . | . | trans | -76.7 | 146.5 | 163.9 | -53.8 | -52.4 | 0 | 0 | 0 | 109.6 | A147 A149 I158 I226 L254 T264 V267 | A147-F173 HydrophobicContact CB-CB 4.06Å; A149-F173 HydrophobicContact CB-CD1 4.02Å; A149-F173 HydrophobicContact CB-CD2 4.28Å; A149-F173 HydrophobicContact CB-CE1 4.02Å; A149-F173 HydrophobicContact CB-CE2 4.27Å; A149-F173 HydrophobicContact CB-CG 4.17Å; A149-F173 HydrophobicContact CB-CZ 4.15Å; I158-F173 HydrophobicContact CD1-CE1 4.12Å; I158-F173 HydrophobicContact CG1-CD1 4.43Å; I158-F173 HydrophobicContact CG1-CE1 3.82Å; F173-I226 HydrophobicContact CD2-CG2 4.13Å; F173-I226 HydrophobicContact CE2-CG2 4.35Å; F173-L254 HydrophobicContact CE1-CD2 3.87Å; F173-L254 HydrophobicContact CZ-CD2 4.26Å; F173-T264 HydrophobicContact CD2-CG2 4.44Å; F173-T264 HydrophobicContact CE1-CG2 4.24Å; F173-T264 HydrophobicContact CE2-CG2 3.99Å; F173-T264 HydrophobicContact CZ-CG2 3.88Å; F173-V267 HydrophobicContact CE2-CB 3.78Å; F173-V267 HydrophobicContact CE2-CG1 3.58Å; F173-V267 HydrophobicContact CZ-CB 4.19Å; F173-V267 HydrophobicContact CZ-CG1 3.87Å | ||
| 174 | P | 97.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 38% | 0.378 | C | S | . | . | trans | -61.6 | 147.1 | 168.3 | 29.4 | -37.2 | 0 | 0 | 0 | 110.3 | A147 G148 V161 V192 E195 T196 | A147-P174 VanDerWaalsContact CA-O 3.3Å; A147-P174 WeakPolarHBondContact CA-O 3.38Å; G148-P174 PolarHBondContact N-O 2.91Å; G148-P174 WeakPolarHBondContact O-CD 3.4Å; V161-P174 HydrophobicContact CG1-CB 4.37Å; V161-P174 HydrophobicContact CG2-CB 4.43Å; P174-V192 HydrophobicContact CB-CG2 4.38Å; P174-V192 HydrophobicContact CG-CB 4.42Å; P174-V192 HydrophobicContact CG-CG2 3.62Å; P174-E195 HydrophobicContact CB-CB 3.97Å; P174-E195 HydrophobicContact CB-CG 4.35Å; P174-T196 HydrophobicContact CB-CG2 4.04Å; P174-T196 HydrophobicContact CG-CG2 4.15Å | ||
| 175 | G | 97.4 | Very high | 90.7 | Very high | 11 Ų | 11 | 63.4 Ų | 63.4 | 11% | 0.113 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.1 | 149.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V146 E195 | V146-G175 CarbonylContact O-C 3.57Å; V146-G175 WeakPolarHBondContact O-CA 3.34Å; G175-E195 PolarHBondContact N-OE1 2.79Å |
| 176 | G | 96.1 | Very high | 91.7 | Very high | 20 Ų | 20 | 61.3 Ų | 61.3 | 21% | 0.206 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | -157 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G145 V146 E191 | G145-G176 CarbonylContact C-O 3.55Å; G145-G176 WeakPolarHBondContact CA-O 3.46Å; V146-G176 PolarHBondContact N-O 3.25Å; V146-G176 PolarHBondContact O-N 3.13Å; V146-G176 VanDerWaalsContact O-N 3.12Å; G176-E191 WeakPolarHBondContact CA-OE1 3.46Å; G176-E191 WeakPolarHBondContact CA-OE2 3.43Å; G176-E191 VanDerWaalsContact N-CD 3.28Å; G176-E191 PolarHBondContact N-OE2 3.03Å |
| 177 | L | 96.5 | Very high | 92.8 | Very high | 55 Ų | 55 | 56 Ų | 56 | 29% | 0.288 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 142.9 | -177 | -67.4 | 175.8 | 0 | 0 | 0 | 110.5 | Q143 R190 | Q143-L177 HydrophobicContact CB-CD2 4.17Å; L177-R190 PolarHBondContact O-NH2 3.2Å; L177-R190 VanDerWaalsContact O-NH2 3.1Å |
| 178 | S | 97.4 | Very high | 94.8 | Very high | 39 Ų | 39 | 48.4 Ų | 48.4 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 139.4 | 170.8 | 62.4 | 0 | 0 | 0 | 0 | 110.8 | V144 | V144-S178 PolarHBondContact O-N 2.96Å; V144-S178 PolarHBondContact O-OG 2.82Å |
| 179 | E | 95.8 | Very high | 95.9 | Very high | 72 Ų | 72 | 42.3 Ų | 42.3 | 34% | 0.336 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 157 | 170.3 | -56 | -161.3 | 150.7 | 0 | 0 | 111.9 | R11 G181 E182 | R11-E179 IonicContact CZ-OE1 2.88Å; R11-E179 IonicContact CZ-OE2 3.41Å; R11-E179 IonicContact NH1-OE2 3.52Å; R11-E179 IonicContact NH2-OE1 3.6Å; R11-E179 PolarHBondContact NH2-OE1 2.81Å; R11-E179 IonicContact NH2-OE2 3.96Å; R11-E179 PolarHBondContact NH2-OE2 2.62Å; E179-G181 PolarHBondContact O-N 2.88Å; E179-G181 VanDerWaalsContact O-N 3.13Å; E179-E182 HydrophobicContact CB-CB 4.04Å; E179-E182 WeakPolarHBondContact CG-OE2 3.48Å; E179-E182 PolarHBondContact N-OE2 2.83Å; E179-E182 WeakPolarHBondContact O-CB 3.27Å; E179-E182 PolarHBondContact O-N 2.9Å |
| 180 | P | 93 | Very high | 96.8 | Very high | 131 Ų | 131 | 40.6 Ų | 40.6 | 85% | 0.851 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 120.1 | 175.2 | -25.8 | 35.2 | 0 | 0 | 0 | 112.2 | E182 | P180-E182 VanDerWaalsContact C-N 3.32Š|
| 181 | G | 92.3 | Very high | 97.1 | Very high | 87 Ų | 87 | 38.8 Ų | 38.8 | 90% | 0.897 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82 | 3.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | E179 | E179-G181 PolarHBondContact O-N 2.88Å; E179-G181 VanDerWaalsContact O-N 3.13Å |
| 182 | E | 96.5 | Very high | 97.1 | Very high | 46 Ų | 46 | 37.9 Ų | 37.9 | 22% | 0.215 | 23% | 0.233 | C | C | . | . | trans | -83.9 | 137 | 177.4 | -169.6 | 176.7 | -141.2 | 0 | 0 | 111.5 | E179 P180 D186 T187 R190 | E179-E182 HydrophobicContact CB-CB 4.04Å; E179-E182 WeakPolarHBondContact CG-OE2 3.48Å; E179-E182 PolarHBondContact N-OE2 2.83Å; E179-E182 WeakPolarHBondContact O-CB 3.27Å; E179-E182 PolarHBondContact O-N 2.9Å; P180-E182 VanDerWaalsContact C-N 3.32Å; E182-D186 HydrophobicContact CG-CB 4.17Å; E182-T187 PolarHBondContact OE2-OG1 2.86Å; E182-R190 IonicContact OE1-CZ 3.54Å; E182-R190 IonicContact OE1-NE 2.72Å; E182-R190 PolarHBondContact OE1-NE 3.24Å; E182-R190 IonicContact OE1-NH2 2.61Å; E182-R190 IonicContact OE2-CZ 3.79Å; E182-R190 IonicContact OE2-NE 3.5Å; E182-R190 PolarHBondContact OE2-NE 2.78Å; E182-R190 IonicContact OE2-NH2 2.7Å; E182-R190 PolarHBondContact OE2-NH2 3.32Å | ||
| 183 | D | 96.4 | Very high | 97.2 | Very high | 56 Ų | 56 | 41.1 Ų | 41.1 | 30% | 0.299 | 25% | 0.247 | S | C | . | . | trans | -71.7 | 152.6 | 175.7 | -77.5 | -29.9 | 0 | 0 | 0 | 111.8 | G185 D186 T187 K299 | D183-G185 VanDerWaalsContact C-N 3.33Å; D183-G185 PolarHBondContact O-N 2.87Å; D183-D186 HydrophobicContact CB-CB 4.24Å; D183-D186 PolarHBondContact O-N 3.41Å; D183-T187 WeakPolarHBondContact O-CB 3.35Å; D183-T187 PolarHBondContact O-N 3.43Å; D183-T187 PolarHBondContact O-OG1 3.09Å; D183-K299 WeakPolarHBondContact OD1-CD 3.42Å; D183-K299 WeakPolarHBondContact OD1-CE 3.47Å; D183-K299 IonicContact OD1-NZ 2.65Å; D183-K299 WeakPolarHBondContact OD2-CE 3.4Å; D183-K299 IonicContact OD2-NZ 3.56Å; D183-K299 PolarHBondContact OD2-NZ 3.44Å | ||
| 184 | I | 98 | Very high | 97.2 | Very high | 30 Ų | 30 | 45.4 Ų | 45.4 | 15% | 0.154 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 179.8 | -65.7 | 162.3 | 0 | 0 | 0 | 111.3 | V146 T187 A188 L205 I225 Y301 | V146-I184 HydrophobicContact CG1-CG2 3.78Å; V146-I184 HydrophobicContact CG2-CG2 3.97Å; I184-T187 WeakPolarHBondContact O-CB 3.36Å; I184-T187 PolarHBondContact O-N 3.37Å; I184-A188 PolarHBondContact O-N 2.95Å; I184-L205 HydrophobicContact CG2-CD2 3.74Å; I184-I225 HydrophobicContact CD1-CD1 3.41Å; I184-I225 VanDerWaalsContact CD1-CD1 3.41Å; I184-I225 HydrophobicContact CG1-CD1 3.89Å; I184-I225 HydrophobicContact CG2-CB 4.23Å; I184-I225 HydrophobicContact CG2-CD1 4.24Å; I184-I225 HydrophobicContact CG2-CG2 3.83Å; I184-Y301 HydrophobicContact CD1-CD2 4.46Å; I184-Y301 HydrophobicContact CD1-CE2 3.67Å |
| 185 | G | 97.7 | Very high | 97.2 | Very high | 7 Ų | 7 | 45.6 Ų | 45.6 | 7% | 0.072 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D183 A188 V189 F202 | D183-G185 VanDerWaalsContact C-N 3.33Å; D183-G185 PolarHBondContact O-N 2.87Å; G185-A188 PolarHBondContact O-N 3.11Å; G185-V189 WeakPolarHBondContact O-CG2 3.49Å; G185-V189 PolarHBondContact O-N 2.91Å; G185-F202 VanDerWaalsContact CA-CD2 3.4Å |
| 186 | D | 98.3 | Very high | 97.3 | Very high | 94 Ų | 94 | 45.1 Ų | 45.1 | 50% | 0.503 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67 | -42.1 | 178 | -66.5 | -20.2 | 0 | 0 | 0 | 111.2 | E182 D183 A188 V189 R190 | E182-D186 HydrophobicContact CG-CB 4.17Å; D183-D186 HydrophobicContact CB-CB 4.24Å; D183-D186 PolarHBondContact O-N 3.41Å; D186-A188 VanDerWaalsContact C-N 3.32Å; D186-A188 PolarHBondContact O-N 3.16Å; D186-V189 PolarHBondContact O-N 3.47Å; D186-R190 WeakPolarHBondContact O-CB 3.48Å; D186-R190 PolarHBondContact O-N 2.96Å |
| 187 | T | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -55 | -49.5 | 172.4 | -52.3 | 0 | 0 | 0 | 0 | 110.2 | V146 E182 D183 I184 V189 R190 E191 | V146-T187 HydrophobicContact CB-CG2 3.69Å; V146-T187 HydrophobicContact CG2-CG2 3.68Å; E182-T187 PolarHBondContact OE2-OG1 2.86Å; D183-T187 WeakPolarHBondContact O-CB 3.35Å; D183-T187 PolarHBondContact O-N 3.43Å; D183-T187 PolarHBondContact O-OG1 3.09Å; I184-T187 WeakPolarHBondContact O-CB 3.36Å; I184-T187 PolarHBondContact O-N 3.37Å; T187-V189 VanDerWaalsContact C-N 3.34Å; T187-V189 PolarHBondContact O-N 3.13Å; T187-R190 PolarHBondContact O-N 3.24Å; T187-E191 HydrophobicContact CG2-CG 4.15Å; T187-E191 WeakPolarHBondContact O-CB 3.47Å; T187-E191 WeakPolarHBondContact O-CG 3.41Å; T187-E191 PolarHBondContact O-N 3.25Å |
| 188 | A | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61 | -41.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V146 I184 G185 D186 V192 C227 L229 | V146-A188 HydrophobicContact CG1-CB 3.71Å; I184-A188 PolarHBondContact O-N 2.95Å; G185-A188 PolarHBondContact O-N 3.11Å; D186-A188 VanDerWaalsContact C-N 3.32Å; D186-A188 PolarHBondContact O-N 3.16Å; A188-V192 WeakPolarHBondContact O-CB 3.27Å; A188-V192 WeakPolarHBondContact O-CG2 3.27Å; A188-V192 PolarHBondContact O-N 3.44Å; A188-V192 VanDerWaalsContact O-N 3.15Å; A188-C227 HydrophobicContact CB-CB 3.9Å; A188-L229 HydrophobicContact CB-CD1 4.11Å; A188-L229 HydrophobicContact CB-CD2 4.13Å |
| 189 | V | 98.8 | Very high | 97.5 | Very high | 38 Ų | 38 | 45.3 Ų | 45.3 | 23% | 0.23 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.4 | -43.8 | 179.2 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | G185 D186 T187 F193 S200 F202 L229 | G185-V189 WeakPolarHBondContact O-CG2 3.49Å; G185-V189 PolarHBondContact O-N 2.91Å; D186-V189 PolarHBondContact O-N 3.47Å; T187-V189 VanDerWaalsContact C-N 3.34Å; T187-V189 PolarHBondContact O-N 3.13Å; V189-F193 WeakPolarHBondContact O-CB 3.37Å; V189-F193 PolarHBondContact O-N 2.7Å; V189-S200 WeakPolarHBondContact CG1-O 3.46Å; V189-F202 HydrophobicContact CG2-CB 4.49Å; V189-L229 HydrophobicContact CG2-CD2 4.04Å |
| 190 | R | 98.7 | Very high | 97.7 | Very high | 46 Ų | 46 | 42 Ų | 42 | 17% | 0.174 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.2 | -53.3 | 177 | 176.6 | -179.8 | 55 | 68.9 | 0.4 | 110.9 | L177 E182 D186 T187 V192 F193 E194 | L177-R190 PolarHBondContact O-NH2 3.2Å; L177-R190 VanDerWaalsContact O-NH2 3.1Å; E182-R190 IonicContact OE1-CZ 3.54Å; E182-R190 IonicContact OE1-NE 2.72Å; E182-R190 PolarHBondContact OE1-NE 3.24Å; E182-R190 IonicContact OE1-NH2 2.61Å; E182-R190 IonicContact OE2-CZ 3.79Å; E182-R190 IonicContact OE2-NE 3.5Å; E182-R190 PolarHBondContact OE2-NE 2.78Å; E182-R190 IonicContact OE2-NH2 2.7Å; E182-R190 PolarHBondContact OE2-NH2 3.32Å; D186-R190 WeakPolarHBondContact O-CB 3.48Å; D186-R190 PolarHBondContact O-N 2.96Å; T187-R190 PolarHBondContact O-N 3.24Å; R190-V192 VanDerWaalsContact C-N 3.33Å; R190-V192 PolarHBondContact O-N 3.23Å; R190-F193 WeakPolarHBondContact O-CB 3.35Å; R190-F193 PolarHBondContact O-N 2.9Å; R190-E194 WeakPolarHBondContact CD-OE1 3.03Å; R190-E194 VanDerWaalsContact CG-CD 3.49Å; R190-E194 HydrophobicContact CG-CG 4.18Å; R190-E194 VanDerWaalsContact CG-OE1 3.27Å; R190-E194 WeakPolarHBondContact CG-OE1 3.13Å; R190-E194 IonicContact NH1-OE1 2.63Å; R190-E194 IonicContact NH1-OE2 3.26Å; R190-E194 PolarHBondContact NH1-OE2 2.91Å; R190-E194 WeakPolarHBondContact O-CG 2.98Å; R190-E194 PolarHBondContact O-N 2.86Å |
| 191 | E | 98.6 | Very high | 98 | Very high | 19 Ų | 19 | 38.8 Ų | 38.8 | 9% | 0.089 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.2 | -40.5 | -177.6 | -68.4 | -72.2 | 170.9 | 0 | 0 | 112.1 | G176 T187 F193 E194 E195 | G176-E191 WeakPolarHBondContact CA-OE1 3.46Å; G176-E191 WeakPolarHBondContact CA-OE2 3.43Å; G176-E191 VanDerWaalsContact N-CD 3.28Å; G176-E191 PolarHBondContact N-OE2 3.03Å; T187-E191 HydrophobicContact CG2-CG 4.15Å; T187-E191 WeakPolarHBondContact O-CB 3.47Å; T187-E191 WeakPolarHBondContact O-CG 3.41Å; T187-E191 PolarHBondContact O-N 3.25Å; E191-F193 VanDerWaalsContact C-N 3.33Å; E191-F193 PolarHBondContact O-N 3.5Å; E191-E194 PolarHBondContact O-N 2.98Å; E191-E195 WeakPolarHBondContact O-CB 3.24Å; E191-E195 PolarHBondContact O-N 2.8Å |
| 192 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.9 | -47.3 | 172.6 | 163.8 | 0 | 0 | 0 | 0 | 111.1 | V150 L159 P174 A188 R190 T196 I198 L229 | V150-V192 HydrophobicContact CG2-CB 4.25Å; V150-V192 HydrophobicContact CG2-CG1 3.58Å; V150-V192 HydrophobicContact CG2-CG2 3.56Å; L159-V192 HydrophobicContact CD2-CG1 4.27Å; P174-V192 HydrophobicContact CB-CG2 4.38Å; P174-V192 HydrophobicContact CG-CB 4.42Å; P174-V192 HydrophobicContact CG-CG2 3.62Å; A188-V192 WeakPolarHBondContact O-CB 3.27Å; A188-V192 WeakPolarHBondContact O-CG2 3.27Å; A188-V192 PolarHBondContact O-N 3.44Å; A188-V192 VanDerWaalsContact O-N 3.15Å; R190-V192 VanDerWaalsContact C-N 3.33Å; R190-V192 PolarHBondContact O-N 3.23Å; V192-T196 WeakPolarHBondContact O-CB 3.22Å; V192-T196 PolarHBondContact O-N 2.72Å; V192-T196 PolarHBondContact O-OG1 2.93Å; V192-I198 HydrophobicContact CG1-CB 4.22Å; V192-I198 HydrophobicContact CG1-CG2 4.48Å; V192-L229 HydrophobicContact CB-CD1 4.41Å; V192-L229 HydrophobicContact CG2-CD1 3.56Å |
| 193 | F | 98.7 | Very high | 98.3 | Very high | 104 Ų | 104 | 39.8 Ų | 39.8 | 46% | 0.456 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66.1 | -43.3 | -178.2 | -178.1 | -106.4 | 0 | 0 | 0 | 111.6 | V189 R190 E191 G197 K199 | V189-F193 WeakPolarHBondContact O-CB 3.37Å; V189-F193 PolarHBondContact O-N 2.7Å; R190-F193 WeakPolarHBondContact O-CB 3.35Å; R190-F193 PolarHBondContact O-N 2.9Å; E191-F193 VanDerWaalsContact C-N 3.33Å; E191-F193 PolarHBondContact O-N 3.5Å; F193-G197 VanDerWaalsContact O-CA 3.26Å; F193-G197 WeakPolarHBondContact O-CA 3.38Å; F193-G197 PolarHBondContact O-N 2.61Å; F193-K199 HydrophobicContact CD2-CG 4.02Å; F193-K199 HydrophobicContact CE2-CG 4.02Å |
| 194 | E | 97.9 | Very high | 98.4 | Very high | 99 Ų | 99 | 37.1 Ų | 37.1 | 46% | 0.463 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.7 | -46.2 | 178.5 | -72.9 | 174.7 | 170.4 | 0 | 0 | 112.2 | R190 E191 | R190-E194 WeakPolarHBondContact CD-OE1 3.03Å; R190-E194 VanDerWaalsContact CG-CD 3.49Å; R190-E194 HydrophobicContact CG-CG 4.18Å; R190-E194 VanDerWaalsContact CG-OE1 3.27Å; R190-E194 WeakPolarHBondContact CG-OE1 3.13Å; R190-E194 IonicContact NH1-OE1 2.63Å; R190-E194 IonicContact NH1-OE2 3.26Å; R190-E194 PolarHBondContact NH1-OE2 2.91Å; R190-E194 WeakPolarHBondContact O-CG 2.98Å; R190-E194 PolarHBondContact O-N 2.86Å; E191-E194 PolarHBondContact O-N 2.98Å |
| 195 | E | 97.6 | Very high | 98.4 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.019 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -76.1 | -33.5 | -178.5 | -75.6 | -164.7 | -132.8 | 0 | 0 | 113 | K172 P174 G175 E191 F238 C239 | K172-E195 IonicContact NZ-OE1 2.81Å; K172-E195 IonicContact NZ-OE2 3.66Å; P174-E195 HydrophobicContact CB-CB 3.97Å; P174-E195 HydrophobicContact CB-CG 4.35Å; G175-E195 PolarHBondContact N-OE1 2.79Å; E191-E195 WeakPolarHBondContact O-CB 3.24Å; E191-E195 PolarHBondContact O-N 2.8Å; E195-F238 CarbonylContact O-C 3.57Å; E195-F238 WeakPolarHBondContact O-CA 3.35Å; E195-F238 VanDerWaalsContact O-CB 3.29Å; E195-F238 WeakPolarHBondContact O-CB 3.44Å; E195-C239 PolarHBondContact O-N 3.04Å |
| 196 | T | 98.3 | Very high | 98.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -124.9 | -15.9 | -163.8 | 76.4 | 0 | 0 | 0 | 0 | 115.6 | L159 V161 P174 V192 I198 N237 | L159-T196 HydrophobicContact CD2-CG2 3.78Å; L159-T196 WeakPolarHBondContact CD2-OG1 3.19Å; L159-T196 HydrophobicContact CG-CG2 4.3Å; V161-T196 HydrophobicContact CG1-CG2 3.72Å; P174-T196 HydrophobicContact CB-CG2 4.04Å; P174-T196 HydrophobicContact CG-CG2 4.15Å; V192-T196 WeakPolarHBondContact O-CB 3.22Å; V192-T196 PolarHBondContact O-N 2.72Å; V192-T196 PolarHBondContact O-OG1 2.93Å; T196-I198 PolarHBondContact O-N 2.73Å; T196-I198 WeakPolarHBondContact OG1-CB 3.3Å; T196-I198 PolarHBondContact OG1-N 2.87Å; T196-I198 VanDerWaalsContact OG1-N 3.13Å; T196-N237 CarbonylContact C-O 3.51Å; T196-N237 VanDerWaalsContact C-O 3.3Å; T196-N237 CarbonylContact O-C 3.49Å; T196-N237 VanDerWaalsContact O-C 3.29Å; T196-N237 PolarHBondContact O-N 3.17Å |
| 197 | G | 98.4 | Very high | 98.5 | Very high | 17 Ų | 17 | 33.7 Ų | 33.7 | 18% | 0.175 | 16% | 0.16 | C | C | . | . | trans | 72.1 | -0.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | F193 N237 | F193-G197 VanDerWaalsContact O-CA 3.26Å; F193-G197 WeakPolarHBondContact O-CA 3.38Å; F193-G197 PolarHBondContact O-N 2.61Å; G197-N237 PolarHBondContact N-O 2.88Å | ||
| 198 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -78.2 | 132.2 | 179.3 | -62.7 | -59.5 | 0 | 0 | 0 | 110.2 | V150 L159 V192 T196 P231 I236 W248 | V150-I198 HydrophobicContact CG1-CG2 4.32Å; L159-I198 HydrophobicContact CD1-CG1 4.16Å; L159-I198 HydrophobicContact CD2-CB 3.9Å; L159-I198 HydrophobicContact CD2-CG1 3.73Å; L159-I198 HydrophobicContact CD2-CG2 4.27Å; V192-I198 HydrophobicContact CG1-CB 4.22Å; V192-I198 HydrophobicContact CG1-CG2 4.48Å; T196-I198 PolarHBondContact O-N 2.73Å; T196-I198 WeakPolarHBondContact OG1-CB 3.3Å; T196-I198 PolarHBondContact OG1-N 2.87Å; T196-I198 VanDerWaalsContact OG1-N 3.13Å; I198-P231 HydrophobicContact CG2-CB 4.27Å; I198-I236 HydrophobicContact CD1-CG1 3.99Å; I198-I236 HydrophobicContact CG1-CG1 4.27Å; I198-W248 HydrophobicContact CD1-CZ2 4.03Å; I198-W248 HydrophobicContact CG1-CZ2 4.14Å; I198-W248 HydrophobicContact CG2-CH2 4.45Å; I198-W248 HydrophobicContact CG2-CZ2 4.16Å | ||
| 199 | K | 98.8 | Very high | 98.3 | Very high | 102 Ų | 102 | 41.7 Ų | 41.7 | 44% | 0.443 | 20% | 0.196 | S | C | . | . | trans | -91.9 | 129.9 | 172.2 | -57.2 | -173.9 | 179.2 | -179.5 | 0 | 109.2 | F193 Y232 S233 | F193-K199 HydrophobicContact CD2-CG 4.02Å; F193-K199 HydrophobicContact CE2-CG 4.02Å; K199-Y232 HydrophobicContact CB-CD2 3.89Å; K199-Y232 HydrophobicContact CB-CE1 4.06Å; K199-Y232 HydrophobicContact CB-CE2 3.29Å; K199-Y232 HydrophobicContact CB-CG 4.49Å; K199-Y232 HydrophobicContact CD-CE2 3.71Å; K199-Y232 HydrophobicContact CG-CE2 4.15Å; K199-Y232 PolarHBondContact O-N 3.3Å; K199-S233 PolarHBondContact N-OG 3.01Å; K199-S233 PolarHBondContact O-N 3.23Å | ||
| 200 | S | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 165.2 | -175.1 | 65.4 | 0 | 0 | 0 | 0 | 111.4 | V189 K230 Y232 | V189-S200 WeakPolarHBondContact CG1-O 3.46Å; S200-K230 CarbonylContact C-O 3.45Å; S200-K230 WeakPolarHBondContact CA-O 3.28Å; S200-K230 WeakPolarHBondContact CB-O 3.41Å; S200-Y232 VanDerWaalsContact C-CE1 3.46Å; S200-Y232 WeakPolarHBondContact O-CE1 3.46Å |
| 201 | E | 98.6 | Very high | 97.8 | Very high | 63 Ų | 63 | 47 Ų | 47 | 29% | 0.294 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 141.6 | 177.7 | 66.8 | -168.9 | 149.5 | 0 | 0 | 110.4 | R203 L229 K230 | E201-R203 IonicContact OE1-CZ 3.28Å; E201-R203 VanDerWaalsContact OE1-CZ 3.28Å; E201-R203 IonicContact OE1-NE 2.75Å; E201-R203 PolarHBondContact OE1-NE 2.92Å; E201-R203 IonicContact OE1-NH2 2.62Å; E201-R203 PolarHBondContact OE1-NH2 3.07Å; E201-R203 IonicContact OE2-CZ 3.29Å; E201-R203 VanDerWaalsContact OE2-CZ 3.29Å; E201-R203 IonicContact OE2-NE 2.73Å; E201-R203 IonicContact OE2-NH1 3.8Å; E201-R203 IonicContact OE2-NH2 2.9Å; E201-R203 PolarHBondContact OE2-NH2 2.93Å; E201-L229 VanDerWaalsContact O-CA 3.28Å; E201-L229 WeakPolarHBondContact O-CA 3.48Å; E201-K230 HydrophobicContact CG-CB 3.82Å; E201-K230 HydrophobicContact CG-CG 4.48Å; E201-K230 PolarHBondContact N-O 3.2Å; E201-K230 PolarHBondContact O-N 3.02Å; E201-K230 VanDerWaalsContact OE1-CD 3.24Å; E201-K230 WeakPolarHBondContact OE1-CD 3.33Å; E201-K230 WeakPolarHBondContact OE1-CG 3.38Å |
| 202 | F | 98.5 | Very high | 97.6 | Very high | 51 Ų | 51 | 51.2 Ų | 51.2 | 22% | 0.224 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 133.2 | 175.2 | 178.5 | -98.5 | 0 | 0 | 0 | 111.8 | G185 V189 S204 L205 C227 L229 V286 Y301 | G185-F202 VanDerWaalsContact CA-CD2 3.4Å; V189-F202 HydrophobicContact CG2-CB 4.49Å; F202-S204 VanDerWaalsContact CE2-O 3.31Å; F202-S204 WeakPolarHBondContact CE2-O 3.43Å; F202-S204 VanDerWaalsContact CZ-C 3.41Å; F202-L205 HydrophobicContact CE2-CD2 3.92Å; F202-L205 HydrophobicContact CZ-CD2 4.06Å; F202-L205 HydrophobicContact CZ-CG 4.44Å; F202-C227 HydrophobicContact CD2-CB 3.99Å; F202-C227 HydrophobicContact CE2-CB 3.78Å; F202-L229 VanDerWaalsContact CA-CD2 3.48Å; F202-L229 HydrophobicContact CB-CD2 4.09Å; F202-L229 HydrophobicContact CD2-CD2 4.08Å; F202-V286 HydrophobicContact CE1-CG1 3.98Å; F202-Y301 HydrophobicContact CZ-CE1 4.43Å |
| 203 | R | 97.9 | Very high | 97.2 | Very high | 102 Ų | 102 | 56.3 Ų | 56.3 | 39% | 0.385 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | -49.1 | 176.1 | -63.5 | -57.5 | -172 | 178.7 | 1.1 | 112.9 | E201 R228 K230 | E201-R203 IonicContact OE1-CZ 3.28Å; E201-R203 VanDerWaalsContact OE1-CZ 3.28Å; E201-R203 IonicContact OE1-NE 2.75Å; E201-R203 PolarHBondContact OE1-NE 2.92Å; E201-R203 IonicContact OE1-NH2 2.62Å; E201-R203 PolarHBondContact OE1-NH2 3.07Å; E201-R203 IonicContact OE2-CZ 3.29Å; E201-R203 VanDerWaalsContact OE2-CZ 3.29Å; E201-R203 IonicContact OE2-NE 2.73Å; E201-R203 IonicContact OE2-NH1 3.8Å; E201-R203 IonicContact OE2-NH2 2.9Å; E201-R203 PolarHBondContact OE2-NH2 2.93Å; R203-R228 WeakPolarHBondContact CB-O 3.29Å; R203-R228 PolarHBondContact N-O 2.82Å; R203-K230 HydrophobicContact CG-CB 3.85Å |
| 204 | S | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 166.6 | -176.5 | 65.7 | 0 | 0 | 0 | 0 | 112.3 | F202 C227 R228 D283 | F202-S204 VanDerWaalsContact CE2-O 3.31Å; F202-S204 WeakPolarHBondContact CE2-O 3.43Å; F202-S204 VanDerWaalsContact CZ-C 3.41Å; S204-C227 CarbonylContact O-C 3.57Å; S204-C227 VanDerWaalsContact O-CA 3.24Å; S204-C227 WeakPolarHBondContact O-CA 3.28Å; S204-R228 PolarHBondContact N-O 3.27Å; S204-R228 PolarHBondContact O-N 3.43Å; S204-R228 WeakPolarHBondContact OG-CB 3.24Å; S204-D283 VanDerWaalsContact CB-OD1 3.32Å; S204-D283 WeakPolarHBondContact CB-OD1 3.15Å; S204-D283 PolarHBondContact OG-OD1 3.23Å |
| 205 | L | 98.3 | Very high | 95.6 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 142.2 | 156.2 | -59 | -169.7 | 0 | 0 | 0 | 110.1 | I184 F202 I225 C227 L284 Y301 | I184-L205 HydrophobicContact CG2-CD2 3.74Å; F202-L205 HydrophobicContact CE2-CD2 3.92Å; F202-L205 HydrophobicContact CZ-CD2 4.06Å; F202-L205 HydrophobicContact CZ-CG 4.44Å; L205-I225 HydrophobicContact CD1-CG2 3.76Å; L205-I225 HydrophobicContact CD2-CG2 3.45Å; L205-I225 VanDerWaalsContact CD2-CG2 3.45Å; L205-I225 HydrophobicContact CG-CG2 4.14Å; L205-C227 HydrophobicContact CD2-CB 4.41Å; L205-C227 WeakPolarHBondContact CD2-SG 3.45Å; L205-L284 HydrophobicContact CB-CB 4.06Å; L205-L284 HydrophobicContact CB-CD1 4.47Å; L205-L284 PolarHBondContact N-O 2.9Å; L205-L284 WeakPolarHBondContact O-CB 2.96Å; L205-L284 PolarHBondContact O-N 3.09Å; L205-Y301 HydrophobicContact CD1-CD1 3.22Å; L205-Y301 HydrophobicContact CD1-CD2 4.23Å; L205-Y301 HydrophobicContact CD1-CE1 3.67Å; L205-Y301 HydrophobicContact CD1-CG 3.51Å; L205-Y301 HydrophobicContact CD2-CD1 4.4Å; L205-Y301 HydrophobicContact CD2-CE1 4.21Å; L205-Y301 HydrophobicContact CG-CD1 3.44Å; L205-Y301 VanDerWaalsContact CG-CD1 3.44Å; L205-Y301 HydrophobicContact CG-CE1 3.73Å; L205-Y301 HydrophobicContact CG-CG 4.24Å |
| 206 | L | 98.6 | Very high | 94.8 | Very high | 11 Ų | 11 | 53.2 Ų | 53.2 | 6% | 0.058 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | -40.9 | 175 | -66.1 | 175.3 | 0 | 0 | 0 | 111.9 | A149 I226 R228 V267 L270 L271 I282 | A149-L206 HydrophobicContact CB-CD1 4.2Å; L206-I226 WeakPolarHBondContact CB-O 3.49Å; L206-I226 PolarHBondContact N-O 2.95Å; L206-R228 HydrophobicContact CD1-CB 3.86Å; L206-R228 HydrophobicContact CD1-CG 4.46Å; L206-R228 HydrophobicContact CD2-CB 3.97Å; L206-R228 HydrophobicContact CG-CB 3.83Å; L206-V267 HydrophobicContact CD1-CG1 3.99Å; L206-L270 HydrophobicContact CB-CD2 4.29Å; L206-L271 HydrophobicContact CD1-CD1 4.33Å; L206-L271 HydrophobicContact CD1-CD2 3.81Å; L206-L271 HydrophobicContact CD1-CG 4.01Å; L206-L271 HydrophobicContact CD2-CD2 4.48Å; L206-I282 HydrophobicContact CD2-CD1 3.71Å; L206-I282 HydrophobicContact CD2-CG1 3.98Å |
| 207 | S | 98.2 | Very high | 94.1 | Very high | 45 Ų | 45 | 53.4 Ų | 53.4 | 32% | 0.315 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 157.5 | -171.5 | -155.5 | 0 | 0 | 0 | 0 | 112.6 | I226 | S207-I226 PolarHBondContact N-O 3.19Å; S207-I226 PolarHBondContact O-N 3.1Å |
| 208 | I | 98.1 | Very high | 93.5 | Very high | 92 Ų | 92 | 61.6 Ų | 61.6 | 47% | 0.472 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 127.5 | 175.6 | -58.1 | 164.4 | 0 | 0 | 0 | 107.1 | M223 | I208-M223 HydrophobicContact CG2-CE 3.94Å |
| 209 | R | 95.6 | Very high | 93 | Very high | 76 Ų | 76 | 63.5 Ų | 63.5 | 29% | 0.287 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 138.5 | 172.3 | 176.5 | -163 | 83.3 | -170.2 | -0.1 | 108.6 | D222 M223 Y224 I263 | R209-D222 IonicContact CZ-OD2 2.78Å; R209-D222 IonicContact NE-OD2 3.53Å; R209-D222 IonicContact NH2-OD2 3.67Å; R209-D222 PolarHBondContact NH2-OD2 3.03Å; R209-M223 CarbonylContact O-C 3.57Å; R209-M223 WeakPolarHBondContact O-CA 3.41Å; R209-Y224 PolarHBondContact N-O 2.97Å; R209-Y224 PolarHBondContact O-N 3.11Å; R209-I263 VanDerWaalsContact CD-CD1 3.46Å; R209-I263 HydrophobicContact CG-CD1 4.06Å |
| 210 | Q | 95.6 | Very high | 92.6 | Very high | 116 Ų | 116 | 64.5 Ų | 64.5 | 54% | 0.542 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 140.7 | 171.4 | -170.1 | 177.4 | 24.3 | 0 | 0 | 110.4 | H142 H212 D222 | H142-Q210 PolarHBondContact NE2-NE2 3.25Å; Q210-H212 PolarHBondContact NE2-CE1 2.56Å; Q210-D222 WeakPolarHBondContact CA-O 3.32Å |
| 211 | Q | 92.4 | Very high | 92.3 | Very high | 81 Ų | 81 | 65.4 Ų | 65.4 | 38% | 0.379 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 148.2 | 171.8 | 177.4 | 179.2 | -26.1 | 0 | 0 | 110.1 | S221 D222 | Q211-S221 CarbonylContact O-C 3.52Å; Q211-S221 VanDerWaalsContact O-CA 3.28Å; Q211-S221 WeakPolarHBondContact O-CA 3.31Å; Q211-S221 WeakPolarHBondContact O-CB 3.45Å; Q211-D222 HydrophobicContact CB-CB 4.49Å; Q211-D222 PolarHBondContact N-O 3.42Å; Q211-D222 PolarHBondContact O-N 3.4Å |
| 212 | H | 93.9 | Very high | 92 | Very high | 106 Ų | 106 | 62.7 Ų | 62.7 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -112.4 | 160.9 | 173.5 | -58.1 | -52.3 | 0 | 0 | 0 | 111.7 | Q210 N214 S221 | Q210-H212 PolarHBondContact NE2-CE1 2.56Å; H212-N214 VanDerWaalsContact C-N 3.26Å; H212-N214 PolarHBondContact O-N 3.19Å; H212-S221 PolarHBondContact ND1-OG 3.1Å |
| 213 | T | 89.4 | Confident | 91.9 | Very high | 107 Ų | 107 | 63.3 Ų | 63.3 | 66% | 0.656 | 33% | 0.327 | S | S | * | . | S | Bend | trans | 56 | 41.3 | 172.3 | -39.1 | 0 | 0 | 0 | 0 | 112.1 | P215 | T213-P215 VanDerWaalsContact O-CD 3.22Å; T213-P215 WeakPolarHBondContact O-CD 3.41Å |
| 214 | N | 81.2 | Confident | 91.8 | Very high | 24 Ų | 24 | 60.3 Ų | 60.3 | 13% | 0.128 | 32% | 0.316 | C | S | . | . | trans | -70.2 | 117.6 | -179.6 | 178.9 | 5.5 | 0 | 0 | 0 | 109.5 | H212 G216 A217 F218 G219 K220 | H212-N214 VanDerWaalsContact C-N 3.26Å; H212-N214 PolarHBondContact O-N 3.19Å; N214-G216 PolarHBondContact O-N 3.1Å; N214-G216 PolarHBondContact OD1-N 3.42Å; N214-A217 HydrophobicContact CB-CB 3.98Å; N214-A217 CarbonylContact O-C 3.54Å; N214-A217 PolarHBondContact O-N 2.95Å; N214-F218 PolarHBondContact O-N 2.84Å; N214-G219 PolarHBondContact O-N 2.83Å; N214-K220 PolarHBondContact N-O 2.78Å; N214-K220 VanDerWaalsContact N-O 3.09Å | ||
| 215 | P | 82.5 | Confident | 91.8 | Very high | 102 Ų | 102 | 60.9 Ų | 60.9 | 66% | 0.662 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -60.7 | -32.1 | 179.9 | -23.5 | 35 | 0 | 0 | 0 | 112.9 | T213 A217 F218 | T213-P215 VanDerWaalsContact O-CD 3.22Å; T213-P215 WeakPolarHBondContact O-CD 3.41Å; P215-A217 PolarHBondContact O-N 2.8Å; P215-F218 PolarHBondContact O-N 3.18Å |
| 216 | G | 79.9 | Confident | 91.8 | Very high | 17 Ų | 17 | 60.9 Ų | 60.9 | 18% | 0.175 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -72.3 | -16 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | N214 | N214-G216 PolarHBondContact O-N 3.1Å; N214-G216 PolarHBondContact OD1-N 3.42Å |
| 217 | A | 83.7 | Confident | 91.9 | Very high | 3 Ų | 3 | 60.4 Ų | 60.4 | 3% | 0.025 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -112 | 28.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q143 N214 P215 G219 K220 | Q143-A217 VanDerWaalsContact OE1-CB 3.22Å; N214-A217 HydrophobicContact CB-CB 3.98Å; N214-A217 CarbonylContact O-C 3.54Å; N214-A217 PolarHBondContact O-N 2.95Å; P215-A217 PolarHBondContact O-N 2.8Å; A217-G219 VanDerWaalsContact C-N 3.25Å; A217-G219 PolarHBondContact O-N 2.85Å; A217-K220 HydrophobicContact CB-CB 4.31Å; A217-K220 WeakPolarHBondContact O-CB 3.41Å; A217-K220 VanDerWaalsContact O-CG 3.26Å; A217-K220 WeakPolarHBondContact O-CG 3.44Å; A217-K220 PolarHBondContact O-N 3.38Å |
| 218 | F | 87.3 | Confident | 91.9 | Very high | 190 Ų | 190 | 59 Ų | 59 | 83% | 0.833 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 37.2 | 178.4 | -51.2 | -83.3 | 0 | 0 | 0 | 113.8 | N214 P215 K220 | N214-F218 PolarHBondContact O-N 2.84Å; P215-F218 PolarHBondContact O-N 3.18Å; F218-K220 PolarHBondContact O-N 2.89Å |
| 219 | G | 87.9 | Confident | 91.9 | Very high | 40 Ų | 40 | 54.7 Ų | 54.7 | 41% | 0.412 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 4.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | N214 A217 | N214-G219 PolarHBondContact O-N 2.83Å; A217-G219 VanDerWaalsContact C-N 3.25Å; A217-G219 PolarHBondContact O-N 2.85Å |
| 220 | K | 89.9 | Confident | 92.1 | Very high | 123 Ų | 123 | 55.2 Ų | 55.2 | 54% | 0.535 | 29% | 0.286 | S | S | . | . | trans | -75.9 | 166.4 | 172.1 | -57.3 | -61.1 | -178.3 | 178.6 | 0 | 111.6 | N214 A217 F218 | N214-K220 PolarHBondContact N-O 2.78Å; N214-K220 VanDerWaalsContact N-O 3.09Å; A217-K220 HydrophobicContact CB-CB 4.31Å; A217-K220 WeakPolarHBondContact O-CB 3.41Å; A217-K220 VanDerWaalsContact O-CG 3.26Å; A217-K220 WeakPolarHBondContact O-CG 3.44Å; A217-K220 PolarHBondContact O-N 3.38Å; F218-K220 PolarHBondContact O-N 2.89Å | ||
| 221 | S | 93.3 | Very high | 92.2 | Very high | 21 Ų | 21 | 50.1 Ų | 50.1 | 15% | 0.147 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 158.2 | 177.2 | -60.3 | 0 | 0 | 0 | 0 | 111.2 | S141 H142 Q143 Q211 H212 | S141-S221 PolarHBondContact O-N 2.76Å; H142-S221 VanDerWaalsContact CA-O 3.32Å; H142-S221 WeakPolarHBondContact CA-O 3.44Å; H142-S221 WeakPolarHBondContact CD2-CB 3.33Å; H142-S221 WeakPolarHBondContact NE2-CB 3.23Å; Q143-S221 PolarHBondContact N-O 2.88Å; Q143-S221 VanDerWaalsContact N-O 3.1Å; Q211-S221 CarbonylContact O-C 3.52Å; Q211-S221 VanDerWaalsContact O-CA 3.28Å; Q211-S221 WeakPolarHBondContact O-CA 3.31Å; Q211-S221 WeakPolarHBondContact O-CB 3.45Å; H212-S221 PolarHBondContact ND1-OG 3.1Å |
| 222 | D | 92.6 | Very high | 92.5 | Very high | 7 Ų | 7 | 53 Ų | 53 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 136.1 | 176.2 | 167.4 | 69 | 0 | 0 | 0 | 109 | R209 Q210 Q211 | R209-D222 IonicContact CZ-OD2 2.78Å; R209-D222 IonicContact NE-OD2 3.53Å; R209-D222 IonicContact NH2-OD2 3.67Å; R209-D222 PolarHBondContact NH2-OD2 3.03Å; Q210-D222 WeakPolarHBondContact CA-O 3.32Å; Q211-D222 HydrophobicContact CB-CB 4.49Å; Q211-D222 PolarHBondContact N-O 3.42Å; Q211-D222 PolarHBondContact O-N 3.4Å |
| 223 | M | 95.9 | Very high | 92.8 | Very high | 64 Ų | 64 | 49.4 Ų | 49.4 | 32% | 0.315 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 123.3 | 163.7 | -76.8 | -177.8 | 68.2 | 0 | 0 | 108.3 | Q143 V144 G145 I208 R209 | Q143-M223 PolarHBondContact O-N 3.18Å; V144-M223 CarbonylContact C-O 3.57Å; V144-M223 VanDerWaalsContact CA-O 3.31Å; V144-M223 WeakPolarHBondContact CA-O 3.19Å; G145-M223 PolarHBondContact N-O 2.76Å; I208-M223 HydrophobicContact CG2-CE 3.94Å; R209-M223 CarbonylContact O-C 3.57Å; R209-M223 WeakPolarHBondContact O-CA 3.41Å |
| 224 | Y | 95.9 | Very high | 93.2 | Very high | 39 Ų | 39 | 49.4 Ų | 49.4 | 15% | 0.153 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 115.7 | -178.8 | -162.7 | -98.5 | 0 | 0 | 0 | 110.3 | G145 A147 R209 I226 | G145-Y224 CarbonylContact O-C 3.59Å; G145-Y224 VanDerWaalsContact O-CA 3.28Å; G145-Y224 WeakPolarHBondContact O-CA 3.34Å; A147-Y224 HydrophobicContact CB-CE1 3.54Å; A147-Y224 WeakPolarHBondContact CB-OH 3.15Å; R209-Y224 PolarHBondContact N-O 2.97Å; R209-Y224 PolarHBondContact O-N 3.11Å; Y224-I226 HydrophobicContact CD1-CG1 4.12Å; Y224-I226 HydrophobicContact CE1-CG1 4.3Å |
| 225 | I | 98.4 | Very high | 94 | Very high | 11 Ų | 11 | 54.1 Ų | 54.1 | 6% | 0.056 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 133.3 | -172.2 | -54.1 | 177.4 | 0 | 0 | 0 | 108.8 | V144 G145 V146 A147 I184 L205 | V144-I225 HydrophobicContact CG1-CD1 3.96Å; V144-I225 HydrophobicContact CG1-CG1 4.46Å; G145-I225 PolarHBondContact O-N 2.81Å; V146-I225 CarbonylContact C-O 3.48Å; V146-I225 VanDerWaalsContact CA-O 3.24Å; V146-I225 WeakPolarHBondContact CA-O 3.45Å; A147-I225 PolarHBondContact N-O 3.33Å; I184-I225 HydrophobicContact CD1-CD1 3.41Å; I184-I225 VanDerWaalsContact CD1-CD1 3.41Å; I184-I225 HydrophobicContact CG1-CD1 3.89Å; I184-I225 HydrophobicContact CG2-CB 4.23Å; I184-I225 HydrophobicContact CG2-CD1 4.24Å; I184-I225 HydrophobicContact CG2-CG2 3.83Å; L205-I225 HydrophobicContact CD1-CG2 3.76Å; L205-I225 HydrophobicContact CD2-CG2 3.45Å; L205-I225 VanDerWaalsContact CD2-CG2 3.45Å; L205-I225 HydrophobicContact CG-CG2 4.14Å |
| 226 | I | 98.7 | Very high | 94.8 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 120.5 | -177.4 | -54.2 | 174.4 | 0 | 0 | 0 | 108.3 | A147 A149 F173 L206 S207 Y224 I263 V267 | A147-I226 HydrophobicContact CB-CG1 4.3Å; A147-I226 HydrophobicContact CB-CG2 4.37Å; A149-I226 HydrophobicContact CB-CG2 4.43Å; F173-I226 HydrophobicContact CD2-CG2 4.13Å; F173-I226 HydrophobicContact CE2-CG2 4.35Å; L206-I226 WeakPolarHBondContact CB-O 3.49Å; L206-I226 PolarHBondContact N-O 2.95Å; S207-I226 PolarHBondContact N-O 3.19Å; S207-I226 PolarHBondContact O-N 3.1Å; Y224-I226 HydrophobicContact CD1-CG1 4.12Å; Y224-I226 HydrophobicContact CE1-CG1 4.3Å; I226-I263 HydrophobicContact CD1-CG2 3.85Å; I226-V267 HydrophobicContact CD1-CG2 3.78Å; I226-V267 HydrophobicContact CG2-CG1 4.08Å; I226-V267 HydrophobicContact CG2-CG2 4.47Å |
| 227 | C | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 144.9 | -176.1 | -54.3 | 0 | 0 | 0 | 0 | 111 | V146 A147 A149 A188 F202 S204 L205 L229 | V146-C227 WeakPolarHBondContact CG1-SG 3.23Å; A147-C227 PolarHBondContact O-N 3.35Å; A149-C227 WeakPolarHBondContact CB-O 3.48Å; A149-C227 PolarHBondContact N-O 3.37Å; A188-C227 HydrophobicContact CB-CB 3.9Å; F202-C227 HydrophobicContact CD2-CB 3.99Å; F202-C227 HydrophobicContact CE2-CB 3.78Å; S204-C227 CarbonylContact O-C 3.57Å; S204-C227 VanDerWaalsContact O-CA 3.24Å; S204-C227 WeakPolarHBondContact O-CA 3.28Å; L205-C227 HydrophobicContact CD2-CB 4.41Å; L205-C227 WeakPolarHBondContact CD2-SG 3.45Å; C227-L229 HydrophobicContact CB-CD2 4.32Å |
| 228 | R | 98.8 | Very high | 96.2 | Very high | 17 Ų | 17 | 59.8 Ų | 59.8 | 6% | 0.064 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 129.1 | 163 | -166.1 | 168.7 | 63.4 | 81.9 | -0.1 | 108.4 | E153 R203 S204 L206 L271 D283 | E153-R228 IonicContact OE1-NH1 3.47Å; E153-R228 PolarHBondContact OE1-NH1 3.42Å; R203-R228 WeakPolarHBondContact CB-O 3.29Å; R203-R228 PolarHBondContact N-O 2.82Å; S204-R228 PolarHBondContact N-O 3.27Å; S204-R228 PolarHBondContact O-N 3.43Å; S204-R228 WeakPolarHBondContact OG-CB 3.24Å; L206-R228 HydrophobicContact CD1-CB 3.86Å; L206-R228 HydrophobicContact CD1-CG 4.46Å; L206-R228 HydrophobicContact CD2-CB 3.97Å; L206-R228 HydrophobicContact CG-CB 3.83Å; R228-L271 HydrophobicContact CG-CD2 3.98Å; R228-D283 IonicContact CZ-OD1 3.74Å; R228-D283 IonicContact CZ-OD2 3.09Å; R228-D283 IonicContact NE-OD1 3.93Å; R228-D283 PolarHBondContact NE-OD1 3.39Å; R228-D283 IonicContact NE-OD2 2.64Å; R228-D283 IonicContact NH2-OD1 3.83Å; R228-D283 IonicContact NH2-OD2 3.64Å; R228-D283 PolarHBondContact NH2-OD2 2.64Å |
| 229 | L | 98.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 147 | 177.1 | -57.1 | 174.1 | 0 | 0 | 0 | 109.7 | A149 V150 F151 A188 V189 V192 E201 F202 C227 | A149-L229 PolarHBondContact O-N 3.24Å; V150-L229 WeakPolarHBondContact CA-O 3.49Å; V150-L229 HydrophobicContact CB-CB 4.44Å; V150-L229 HydrophobicContact CG2-CB 4.07Å; V150-L229 HydrophobicContact CG2-CD1 3.9Å; F151-L229 PolarHBondContact N-O 3.26Å; A188-L229 HydrophobicContact CB-CD1 4.11Å; A188-L229 HydrophobicContact CB-CD2 4.13Å; V189-L229 HydrophobicContact CG2-CD2 4.04Å; V192-L229 HydrophobicContact CB-CD1 4.41Å; V192-L229 HydrophobicContact CG2-CD1 3.56Å; E201-L229 VanDerWaalsContact O-CA 3.28Å; E201-L229 WeakPolarHBondContact O-CA 3.48Å; F202-L229 VanDerWaalsContact CA-CD2 3.48Å; F202-L229 HydrophobicContact CB-CD2 4.09Å; F202-L229 HydrophobicContact CD2-CD2 4.08Å; C227-L229 HydrophobicContact CB-CD2 4.32Å |
| 230 | K | 98.8 | Very high | 96.7 | Very high | 87 Ų | 87 | 57.1 Ų | 57.1 | 38% | 0.378 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 126.6 | 173.1 | 174.5 | 169.8 | 166.1 | -174.6 | 0 | 109.7 | S200 E201 R203 | S200-K230 CarbonylContact C-O 3.45Å; S200-K230 WeakPolarHBondContact CA-O 3.28Å; S200-K230 WeakPolarHBondContact CB-O 3.41Å; E201-K230 HydrophobicContact CG-CB 3.82Å; E201-K230 HydrophobicContact CG-CG 4.48Å; E201-K230 PolarHBondContact N-O 3.2Å; E201-K230 PolarHBondContact O-N 3.02Å; E201-K230 VanDerWaalsContact OE1-CD 3.24Å; E201-K230 WeakPolarHBondContact OE1-CD 3.33Å; E201-K230 WeakPolarHBondContact OE1-CG 3.38Å; R203-K230 HydrophobicContact CG-CB 3.85Å |
| 231 | P | 98.8 | Very high | 96.8 | Very high | 9 Ų | 9 | 58.9 Ų | 58.9 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 148.3 | 177.4 | 28.7 | -31 | 0 | 0 | 0 | 111.7 | V150 F151 D152 I198 F234 W248 | V150-P231 HydrophobicContact CG1-CB 3.67Å; V150-P231 HydrophobicContact CG1-CG 3.95Å; F151-P231 WeakPolarHBondContact O-CD 2.93Å; D152-P231 HydrophobicContact CB-CG 3.96Å; I198-P231 HydrophobicContact CG2-CB 4.27Å; P231-F234 HydrophobicContact CB-CE1 4.13Å; P231-F234 HydrophobicContact CG-CE1 3.9Å; P231-W248 HydrophobicContact CB-CH2 3.85Å; P231-W248 HydrophobicContact CB-CZ2 4.35Å; P231-W248 HydrophobicContact CG-CH2 3.88Å |
| 232 | Y | 98.6 | Very high | 96.5 | Very high | 141 Ų | 141 | 60.3 Ų | 60.3 | 55% | 0.553 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -130.5 | 5.6 | 165.9 | 62.3 | -97.8 | 0 | 0 | 0 | 113 | K199 S200 | K199-Y232 HydrophobicContact CB-CD2 3.89Å; K199-Y232 HydrophobicContact CB-CE1 4.06Å; K199-Y232 HydrophobicContact CB-CE2 3.29Å; K199-Y232 HydrophobicContact CB-CG 4.49Å; K199-Y232 HydrophobicContact CD-CE2 3.71Å; K199-Y232 HydrophobicContact CG-CE2 4.15Å; K199-Y232 PolarHBondContact O-N 3.3Å; S200-Y232 VanDerWaalsContact C-CE1 3.46Å; S200-Y232 WeakPolarHBondContact O-CE1 3.46Å |
| 233 | S | 98.6 | Very high | 96.5 | Very high | 31 Ų | 31 | 60 Ų | 60 | 22% | 0.217 | 29% | 0.292 | C | S | . | . | trans | -132.2 | 157.6 | 158.9 | 74.9 | 0 | 0 | 0 | 0 | 109.7 | K199 | K199-S233 PolarHBondContact N-OG 3.01Å; K199-S233 PolarHBondContact O-N 3.23Å | ||
| 234 | F | 98.5 | Very high | 96.5 | Very high | 106 Ų | 106 | 60.3 Ų | 60.3 | 47% | 0.465 | 29% | 0.294 | S | S | . | . | trans | -129.9 | -15.8 | -170.9 | -57.4 | -82.4 | 0 | 0 | 0 | 114.4 | D152 P231 I236 W248 | D152-F234 HydrophobicContact CB-CE1 4.37Å; P231-F234 HydrophobicContact CB-CE1 4.13Å; P231-F234 HydrophobicContact CG-CE1 3.9Å; F234-I236 PolarHBondContact O-N 3.14Å; F234-W248 HydrophobicContact CD1-CZ2 4.28Å; F234-W248 PolarHBondContact O-NE1 2.85Å | ||
| 235 | T | 98.6 | Very high | 96.5 | Very high | 123 Ų | 123 | 64.4 Ų | 64.4 | 76% | 0.755 | 31% | 0.31 | S | S | * | . | trans | -76.3 | 111.3 | 176.7 | -53.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 236 | I | 98.6 | Very high | 96.5 | Very high | 49 Ų | 49 | 64.4 Ų | 64.4 | 25% | 0.251 | 31% | 0.311 | S | S | . | . | trans | -72.3 | 132.3 | 177.5 | -63.9 | 172.9 | 0 | 0 | 0 | 109.6 | L159 I198 F234 F238 C246 W248 | L159-I236 HydrophobicContact CD1-CD1 3.88Å; L159-I236 HydrophobicContact CD1-CG1 4.15Å; I198-I236 HydrophobicContact CD1-CG1 3.99Å; I198-I236 HydrophobicContact CG1-CG1 4.27Å; F234-I236 PolarHBondContact O-N 3.14Å; I236-F238 HydrophobicContact CG2-CB 4.05Å; I236-F238 HydrophobicContact CG2-CD1 3.95Å; I236-F238 HydrophobicContact CG2-CG 4.5Å; I236-C246 HydrophobicContact CG2-CB 3.8Å; I236-C246 VanDerWaalsContact CG2-SG 3.58Å; I236-W248 HydrophobicContact CD1-CG 4.3Å | ||
| 237 | N | 97.4 | Very high | 96.4 | Very high | 130 Ų | 130 | 68.1 Ų | 68.1 | 70% | 0.695 | 33% | 0.328 | S | S | * | . | trans | -137 | 80.6 | 167.8 | 178.6 | 36.5 | 0 | 0 | 0 | 108.1 | T196 G197 | T196-N237 CarbonylContact C-O 3.51Å; T196-N237 VanDerWaalsContact C-O 3.3Å; T196-N237 CarbonylContact O-C 3.49Å; T196-N237 VanDerWaalsContact O-C 3.29Å; T196-N237 PolarHBondContact O-N 3.17Å; G197-N237 PolarHBondContact N-O 2.88Å | ||
| 238 | F | 95.8 | Very high | 96.4 | Very high | 63 Ų | 63 | 70.4 Ų | 70.4 | 28% | 0.276 | 34% | 0.337 | S | S | . | . | trans | -84 | 152.7 | -168 | 71 | -94.3 | 0 | 0 | 0 | 113.4 | E195 I236 Q240 C243 C246 | E195-F238 CarbonylContact O-C 3.57Å; E195-F238 WeakPolarHBondContact O-CA 3.35Å; E195-F238 VanDerWaalsContact O-CB 3.29Å; E195-F238 WeakPolarHBondContact O-CB 3.44Å; I236-F238 HydrophobicContact CG2-CB 4.05Å; I236-F238 HydrophobicContact CG2-CD1 3.95Å; I236-F238 HydrophobicContact CG2-CG 4.5Å; F238-Q240 HydrophobicContact CE2-CG 4.22Å; F238-Q240 PolarHBondContact O-N 3.46Å; F238-C243 HydrophobicContact CD2-CB 3.86Å; F238-C243 HydrophobicContact CE2-CB 4.48Å; F238-C246 HydrophobicContact CB-CB 3.52Å; F238-C246 HydrophobicContact CD1-CB 3.84Å; F238-C246 HydrophobicContact CG-CB 3.74Å | ||
| 239 | C | 93.9 | Very high | 96.4 | Very high | 36 Ų | 36 | 70.8 Ų | 70.8 | 24% | 0.243 | 34% | 0.34 | C | S | . | . | trans | -70.6 | 109.7 | 178.5 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | E195 H241 E242 C243 | E195-C239 PolarHBondContact O-N 3.04Å; C239-H241 PolarHBondContact O-N 3.41Å; C239-E242 HydrophobicContact CB-CB 4.49Å; C239-E242 PolarHBondContact O-N 3.32Å; C239-C243 PolarHBondContact O-N 3.24Å | ||
| 240 | Q | 92.6 | Very high | 96.4 | Very high | 137 Ų | 137 | 72.4 Ų | 72.4 | 64% | 0.64 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -15.2 | -178 | -64.1 | -174.7 | -8.9 | 0 | 0 | 114.5 | R164 F238 | R164-Q240 WeakPolarHBondContact CD-O 3.32Å; R164-Q240 PolarHBondContact NH1-O 3.27Å; F238-Q240 HydrophobicContact CE2-CG 4.22Å; F238-Q240 PolarHBondContact O-N 3.46Å |
| 241 | H | 90.8 | Very high | 96.4 | Very high | 161 Ų | 161 | 68.3 Ų | 68.3 | 75% | 0.745 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -35 | 176.1 | -66.2 | 91.8 | 0 | 0 | 0 | 111.6 | C239 | C239-H241 PolarHBondContact O-N 3.41Š|
| 242 | E | 88.4 | Confident | 96.4 | Very high | 51 Ų | 51 | 69.4 Ų | 69.4 | 24% | 0.238 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -41.7 | -173.4 | -60.1 | -162.4 | 156.2 | 0 | 0 | 112.4 | S6 R164 C239 | S6-E242 WeakPolarHBondContact CB-OE1 3.46Å; S6-E242 PolarHBondContact OG-OE1 2.86Å; R164-E242 WeakPolarHBondContact CB-O 3.48Å; R164-E242 PolarHBondContact N-O 3.39Å; C239-E242 HydrophobicContact CB-CB 4.49Å; C239-E242 PolarHBondContact O-N 3.32Å |
| 243 | C | 92.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.007 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 138.5 | -174.8 | -49.2 | 0 | 0 | 0 | 0 | 111.8 | Q162 F238 C239 | Q162-C243 CarbonylContact O-C 3.51Å; Q162-C243 WeakPolarHBondContact O-CA 3.47Å; F238-C243 HydrophobicContact CD2-CB 3.86Å; F238-C243 HydrophobicContact CE2-CB 4.48Å; C239-C243 PolarHBondContact O-N 3.24Å |
| 244 | L | 94.6 | Very high | 96.4 | Very high | 69 Ų | 69 | 65.8 Ų | 65.8 | 36% | 0.361 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | -38.9 | 167.9 | -178.8 | 63.1 | 0 | 0 | 0 | 111.5 | Q162 R164 | Q162-L244 HydrophobicContact CB-CB 4.46Å; Q162-L244 PolarHBondContact O-N 2.78Å; R164-L244 HydrophobicContact CB-CB 4.4Å |
| 245 | R | 96.4 | Very high | 96.4 | Very high | 125 Ų | 125 | 60.9 Ų | 60.9 | 47% | 0.472 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 151.2 | 179.1 | -64.8 | -172.8 | -178.4 | 152.9 | -2.8 | 110.4 | V161 Q162 W171 | V161-R245 CarbonylContact C-O 3.5Å; V161-R245 VanDerWaalsContact CA-O 3.27Å; V161-R245 WeakPolarHBondContact CA-O 3.45Å; Q162-R245 HydrophobicContact CB-CB 4.37Å; Q162-R245 PolarHBondContact N-O 2.86Å; W171-R245 HydrophobicContact CH2-CB 3.8Å; W171-R245 HydrophobicContact CZ3-CB 4.09Å |
| 246 | C | 97.9 | Very high | 96.3 | Very high | 12 Ų | 12 | 62.7 Ų | 62.7 | 8% | 0.081 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 124.2 | 169.7 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | V160 V161 I236 F238 | V160-C246 WeakPolarHBondContact O-CA 3.35Å; V161-C246 HydrophobicContact CG1-CB 4.07Å; I236-C246 HydrophobicContact CG2-CB 3.8Å; I236-C246 VanDerWaalsContact CG2-SG 3.58Å; F238-C246 HydrophobicContact CB-CB 3.52Å; F238-C246 HydrophobicContact CD1-CB 3.84Å; F238-C246 HydrophobicContact CG-CB 3.74Å |
| 247 | E | 98.4 | Very high | 96.2 | Very high | 82 Ų | 82 | 62.2 Ų | 62.2 | 38% | 0.383 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 148.9 | -171.6 | -67.7 | 179 | -156.6 | 0 | 0 | 111.7 | V160 W171 M249 | V160-E247 WeakPolarHBondContact CG2-O 3.29Å; V160-E247 PolarHBondContact N-O 2.82Å; V160-E247 PolarHBondContact O-N 2.85Å; W171-E247 HydrophobicContact CH2-CB 4.1Å; W171-E247 VanDerWaalsContact CH2-CD 3.42Å; W171-E247 HydrophobicContact CH2-CG 3.84Å; W171-E247 WeakPolarHBondContact CH2-OE1 3.4Å; W171-E247 HydrophobicContact CZ3-CB 4.32Å; W171-E247 HydrophobicContact CZ3-CG 4.4Å; E247-M249 PolarHBondContact O-N 2.92Å |
| 248 | W | 98.8 | Very high | 96 | Very high | 48 Ų | 48 | 64.5 Ų | 64.5 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 99 | 162.4 | -73.1 | 113.5 | 0 | 0 | 0 | 109.2 | V150 D152 K157 L159 I198 P231 F234 I236 | V150-W248 HydrophobicContact CB-CH2 4.45Å; V150-W248 HydrophobicContact CG1-CH2 3.82Å; V150-W248 HydrophobicContact CG1-CZ3 4.37Å; V150-W248 WeakPolarHBondContact O-CZ3 3.43Å; D152-W248 HydrophobicContact CB-CZ3 4.45Å; K157-W248 HydrophobicContact CB-CB 4.16Å; K157-W248 HydrophobicContact CB-CE3 4.09Å; K157-W248 HydrophobicContact CD-CB 3.8Å; L159-W248 HydrophobicContact CB-CE3 4.02Å; L159-W248 HydrophobicContact CB-CH2 4Å; L159-W248 HydrophobicContact CB-CZ3 3.71Å; L159-W248 HydrophobicContact CD1-CD2 4.02Å; L159-W248 HydrophobicContact CD1-CE3 4.29Å; L159-W248 HydrophobicContact CD1-CH2 4.37Å; L159-W248 HydrophobicContact CD1-CZ2 4.11Å; L159-W248 HydrophobicContact CD1-CZ3 4.47Å; I198-W248 HydrophobicContact CD1-CZ2 4.03Å; I198-W248 HydrophobicContact CG1-CZ2 4.14Å; I198-W248 HydrophobicContact CG2-CH2 4.45Å; I198-W248 HydrophobicContact CG2-CZ2 4.16Å; P231-W248 HydrophobicContact CB-CH2 3.85Å; P231-W248 HydrophobicContact CB-CZ2 4.35Å; P231-W248 HydrophobicContact CG-CH2 3.88Å; F234-W248 HydrophobicContact CD1-CZ2 4.28Å; F234-W248 PolarHBondContact O-NE1 2.85Å; I236-W248 HydrophobicContact CD1-CG 4.3Å |
| 249 | M | 98.6 | Very high | 96 | Very high | 25 Ų | 25 | 66.2 Ų | 66.2 | 12% | 0.123 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 148 | -178.2 | -173.9 | 174.7 | -70.4 | 0 | 0 | 111.2 | K157 I158 V160 W171 E247 L251 D253 L254 | K157-M249 CarbonylContact C-O 3.03Å; K157-M249 VanDerWaalsContact CA-O 3.23Å; K157-M249 WeakPolarHBondContact CA-O 3.49Å; I158-M249 HydrophobicContact CG2-CB 4.35Å; I158-M249 WeakPolarHBondContact CG2-O 3.26Å; I158-M249 PolarHBondContact N-O 2.8Å; I158-M249 PolarHBondContact O-N 3.31Å; V160-M249 HydrophobicContact CG2-CB 3.75Å; V160-M249 HydrophobicContact CG2-CE 3.93Å; V160-M249 HydrophobicContact CG2-SD 4.36Å; W171-M249 HydrophobicContact CD2-CE 3.66Å; W171-M249 HydrophobicContact CE3-CE 4.4Å; W171-M249 HydrophobicContact CG-CE 3.77Å; W171-M249 HydrophobicContact CZ2-CE 3.95Å; W171-M249 VanDerWaalsContact NE1-CE 3.29Å; E247-M249 PolarHBondContact O-N 2.92Å; M249-L251 PolarHBondContact O-N 2.93Å; M249-D253 HydrophobicContact CG-CB 4.2Å; M249-L254 HydrophobicContact CG-CB 4.44Å; M249-L254 HydrophobicContact SD-CB 3.79Å; M249-L254 HydrophobicContact SD-CD1 3.93Å; M249-L254 HydrophobicContact SD-CG 4.44Å |
| 250 | D | 98.8 | Very high | 96.1 | Very high | 35 Ų | 35 | 64.9 Ų | 64.9 | 19% | 0.187 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 135 | 168.8 | -178.1 | -82.8 | 0 | 0 | 0 | 109.9 | R156 N252 D253 L254 | R156-D250 IonicContact CZ-OD2 3.83Å; R156-D250 IonicContact NE-OD1 2.77Å; R156-D250 IonicContact NE-OD2 3.36Å; R156-D250 PolarHBondContact NE-OD2 2.92Å; R156-D250 VanDerWaalsContact NE-OD2 3.09Å; R156-D250 IonicContact NH2-OD1 2.94Å; R156-D250 IonicContact NH2-OD2 3.4Å; R156-D250 PolarHBondContact NH2-OD2 3.28Å; D250-N252 VanDerWaalsContact C-N 3.25Å; D250-N252 PolarHBondContact O-N 2.76Å; D250-N252 WeakPolarHBondContact OD1-CA 3.19Å; D250-N252 WeakPolarHBondContact OD1-CB 3.5Å; D250-N252 PolarHBondContact OD1-N 2.91Å; D250-N252 PolarHBondContact OD1-ND2 3.09Å; D250-D253 HydrophobicContact CB-CB 4.32Å; D250-D253 WeakPolarHBondContact O-CB 3.49Å; D250-D253 PolarHBondContact O-N 3.38Å; D250-L254 PolarHBondContact O-N 3.42Å; D250-L254 VanDerWaalsContact O-N 3.1Å |
| 251 | L | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.2 | -32.8 | -176.8 | -177.3 | 62.5 | 0 | 0 | 0 | 113.2 | F151 R156 I158 M249 D253 L254 A255 A268 L271 L272 | F151-L251 HydrophobicContact CD2-CD2 4.2Å; F151-L251 HydrophobicContact CE2-CB 4Å; F151-L251 HydrophobicContact CE2-CD2 3.58Å; F151-L251 HydrophobicContact CE2-CG 4.31Å; F151-L251 HydrophobicContact CZ-CD2 3.84Å; R156-L251 HydrophobicContact CG-CB 4.19Å; R156-L251 WeakPolarHBondContact O-CB 3.22Å; R156-L251 PolarHBondContact O-N 3.2Å; I158-L251 HydrophobicContact CB-CD1 4.22Å; I158-L251 HydrophobicContact CG2-CB 4.48Å; I158-L251 HydrophobicContact CG2-CD1 4.08Å; M249-L251 PolarHBondContact O-N 2.93Å; L251-D253 VanDerWaalsContact C-N 3.33Å; L251-L254 PolarHBondContact O-N 2.98Å; L251-A255 WeakPolarHBondContact O-CB 3.36Å; L251-A255 PolarHBondContact O-N 2.98Å; L251-A268 HydrophobicContact CD1-CB 4.01Å; L251-L271 HydrophobicContact CD1-CB 4.1Å; L251-L271 HydrophobicContact CD1-CD1 4.4Å; L251-L271 HydrophobicContact CD2-CB 3.91Å; L251-L272 HydrophobicContact CD2-CB 4.03Å; L251-L272 HydrophobicContact CD2-CD1 4.27Å; L251-L272 HydrophobicContact CG-CB 4.39Å |
| 252 | N | 98.3 | Very high | 96.4 | Very high | 32 Ų | 32 | 58.4 Ų | 58.4 | 17% | 0.171 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.5 | -36.5 | 176.2 | -59.1 | -53.5 | 0 | 0 | 0 | 111.4 | R156 D250 A255 K256 L272 | R156-N252 PolarHBondContact NE-ND2 3.36Å; R156-N252 PolarHBondContact NH1-ND2 2.91Å; R156-N252 PolarHBondContact NH2-ND2 3.24Å; D250-N252 VanDerWaalsContact C-N 3.25Å; D250-N252 PolarHBondContact O-N 2.76Å; D250-N252 WeakPolarHBondContact OD1-CA 3.19Å; D250-N252 WeakPolarHBondContact OD1-CB 3.5Å; D250-N252 PolarHBondContact OD1-N 2.91Å; D250-N252 PolarHBondContact OD1-ND2 3.09Å; N252-A255 PolarHBondContact O-N 2.97Å; N252-K256 WeakPolarHBondContact O-CB 3.25Å; N252-K256 VanDerWaalsContact O-CG 3.27Å; N252-K256 WeakPolarHBondContact O-CG 3.37Å; N252-K256 PolarHBondContact O-N 3.45Å; N252-K256 VanDerWaalsContact O-N 3.16Å; N252-L272 VanDerWaalsContact OD1-CD1 3.25Å; N252-L272 WeakPolarHBondContact OD1-CD1 3.39Å; N252-L272 WeakPolarHBondContact OD1-CD2 3.26Å |
| 253 | D | 98.4 | Very high | 96.8 | Very high | 96 Ų | 96 | 59.3 Ų | 59.3 | 51% | 0.513 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 177.7 | -66.6 | -16.3 | 0 | 0 | 0 | 109.8 | M249 D250 L251 A255 K256 T257 | M249-D253 HydrophobicContact CG-CB 4.2Å; D250-D253 HydrophobicContact CB-CB 4.32Å; D250-D253 WeakPolarHBondContact O-CB 3.49Å; D250-D253 PolarHBondContact O-N 3.38Å; L251-D253 VanDerWaalsContact C-N 3.33Å; D253-A255 VanDerWaalsContact C-N 3.31Å; D253-A255 PolarHBondContact O-N 2.84Å; D253-K256 PolarHBondContact O-N 3.24Å; D253-T257 VanDerWaalsContact O-CB 3.3Å; D253-T257 WeakPolarHBondContact O-CB 3.22Å; D253-T257 PolarHBondContact O-N 2.85Å |
| 254 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.5 | -36.9 | 174.6 | -173.4 | 63 | 0 | 0 | 0 | 112.5 | I158 V160 W171 F173 M249 D250 L251 K256 T257 T264 A268 | I158-L254 HydrophobicContact CG1-CD2 4.19Å; I158-L254 HydrophobicContact CG2-CB 4.17Å; I158-L254 HydrophobicContact CG2-CD2 3.64Å; V160-L254 HydrophobicContact CG1-CD1 4.05Å; V160-L254 HydrophobicContact CG1-CD2 3.65Å; V160-L254 HydrophobicContact CG1-CG 4.46Å; W171-L254 HydrophobicContact CB-CD1 4.03Å; F173-L254 HydrophobicContact CE1-CD2 3.87Å; F173-L254 HydrophobicContact CZ-CD2 4.26Å; M249-L254 HydrophobicContact CG-CB 4.44Å; M249-L254 HydrophobicContact SD-CB 3.79Å; M249-L254 HydrophobicContact SD-CD1 3.93Å; M249-L254 HydrophobicContact SD-CG 4.44Å; D250-L254 PolarHBondContact O-N 3.42Å; D250-L254 VanDerWaalsContact O-N 3.1Å; L251-L254 PolarHBondContact O-N 2.98Å; L254-K256 VanDerWaalsContact C-N 3.26Å; L254-K256 PolarHBondContact O-N 2.81Å; L254-T257 HydrophobicContact CD1-CG2 4.37Å; L254-T264 HydrophobicContact CD1-CG2 4.09Å; L254-T264 HydrophobicContact CD2-CG2 4.21Å; L254-T264 HydrophobicContact CG-CG2 4.4Å; L254-A268 HydrophobicContact CB-CB 4.27Å; L254-A268 HydrophobicContact CD2-CB 3.92Å; L254-A268 HydrophobicContact CG-CB 3.88Å |
| 255 | A | 98.1 | Very high | 97.2 | Very high | 4 Ų | 4 | 56.9 Ų | 56.9 | 3% | 0.033 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.8 | -23.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L251 N252 D253 S265 A268 R269 | L251-A255 WeakPolarHBondContact O-CB 3.36Å; L251-A255 PolarHBondContact O-N 2.98Å; N252-A255 PolarHBondContact O-N 2.97Å; D253-A255 VanDerWaalsContact C-N 3.31Å; D253-A255 PolarHBondContact O-N 2.84Å; A255-S265 PolarHBondContact O-OG 2.98Å; A255-A268 HydrophobicContact CB-CB 4.15Å; A255-R269 HydrophobicContact CB-CG 3.92Å; A255-R269 PolarHBondContact O-NE 3.45Å; A255-R269 VanDerWaalsContact O-NE 3.13Å; A255-R269 PolarHBondContact O-NH2 3.43Å |
| 256 | K | 97.7 | Very high | 97.4 | Very high | 161 Ų | 161 | 59.1 Ų | 59.1 | 70% | 0.7 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -106.9 | -28.4 | -175.1 | -68 | 172.9 | -174.5 | 175.1 | 0 | 114.2 | N252 D253 L254 | N252-K256 WeakPolarHBondContact O-CB 3.25Å; N252-K256 VanDerWaalsContact O-CG 3.27Å; N252-K256 WeakPolarHBondContact O-CG 3.37Å; N252-K256 PolarHBondContact O-N 3.45Å; N252-K256 VanDerWaalsContact O-N 3.16Å; D253-K256 PolarHBondContact O-N 3.24Å; L254-K256 VanDerWaalsContact C-N 3.26Å; L254-K256 PolarHBondContact O-N 2.81Å |
| 257 | T | 95.6 | Very high | 97.4 | Very high | 39 Ų | 39 | 58.7 Ų | 58.7 | 24% | 0.239 | 29% | 0.292 | C | S | . | . | trans | -61.6 | 143.6 | -174.3 | -169.4 | 0 | 0 | 0 | 0 | 112.3 | D253 L254 N259 T260 | D253-T257 VanDerWaalsContact O-CB 3.3Å; D253-T257 WeakPolarHBondContact O-CB 3.22Å; D253-T257 PolarHBondContact O-N 2.85Å; L254-T257 HydrophobicContact CD1-CG2 4.37Å; T257-N259 VanDerWaalsContact C-N 3.34Å; T257-N259 PolarHBondContact OG1-N 2.83Å; T257-T260 HydrophobicContact CG2-CG2 3.72Å; T257-T260 WeakPolarHBondContact O-CG2 3.31Å | ||
| 258 | E | 93.8 | Very high | 97.4 | Very high | 177 Ų | 177 | 54.8 Ų | 54.8 | 83% | 0.827 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -83.8 | -16.2 | 171.4 | -62 | -176.1 | 172 | 0 | 0 | 111.9 | T260 | E258-T260 PolarHBondContact O-N 3Š|
| 259 | N | 95 | Very high | 97.4 | Very high | 99 Ų | 99 | 58.9 Ų | 58.9 | 53% | 0.529 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -82.6 | 40.8 | 179.8 | -64.5 | -39.8 | 0 | 0 | 0 | 112.1 | M170 W171 T257 | M170-N259 VanDerWaalsContact SD-C 3.56Å; W171-N259 VanDerWaalsContact CD1-O 3.29Å; W171-N259 PolarHBondContact N-O 2.88Å; T257-N259 VanDerWaalsContact C-N 3.34Å; T257-N259 PolarHBondContact OG1-N 2.83Å |
| 260 | T | 96 | Very high | 97.4 | Very high | 8 Ų | 8 | 60.2 Ų | 60.2 | 5% | 0.049 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -150.3 | 158.1 | 179.9 | -164.1 | 0 | 0 | 0 | 0 | 110.6 | M170 W171 T257 E258 T264 | M170-T260 WeakPolarHBondContact CE-O 3.37Å; W171-T260 PolarHBondContact O-OG1 2.63Å; T257-T260 HydrophobicContact CG2-CG2 3.72Å; T257-T260 WeakPolarHBondContact O-CG2 3.31Å; E258-T260 PolarHBondContact O-N 3Å; T260-T264 WeakPolarHBondContact OG1-CB 3.28Å; T260-T264 VanDerWaalsContact OG1-CG2 3.22Å; T260-T264 WeakPolarHBondContact OG1-CG2 3.3Å |
| 261 | T | 94.5 | Very high | 97.4 | Very high | 48 Ų | 48 | 58.5 Ų | 58.5 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | trans | -71.9 | 153 | -179.9 | 81.9 | 0 | 0 | 0 | 0 | 111.2 | I263 T264 S265 | T261-I263 PolarHBondContact O-N 3.28Å; T261-T264 PolarHBondContact O-N 2.93Å; T261-T264 VanDerWaalsContact O-N 3.11Å; T261-T264 PolarHBondContact OG1-N 2.87Å; T261-T264 VanDerWaalsContact OG1-N 3.09Å; T261-T264 PolarHBondContact OG1-OG1 3.08Å; T261-S265 PolarHBondContact O-N 3.04Å | ||
| 262 | P | 96.4 | Very high | 97.4 | Very high | 114 Ų | 114 | 60 Ų | 60 | 74% | 0.74 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -55.7 | -34.1 | 175.7 | -28 | 35.8 | 0 | 0 | 0 | 113.8 | R266 | P262-R266 WeakPolarHBondContact O-CB 3.39Å; P262-R266 PolarHBondContact O-N 3.45Å |
| 263 | I | 96.6 | Very high | 97.4 | Very high | 71 Ų | 71 | 63.7 Ų | 63.7 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.5 | -47.8 | 176.8 | -67.6 | 163.6 | 0 | 0 | 0 | 110.3 | R209 I226 T261 S265 R266 V267 | R209-I263 VanDerWaalsContact CD-CD1 3.46Å; R209-I263 HydrophobicContact CG-CD1 4.06Å; I226-I263 HydrophobicContact CD1-CG2 3.85Å; T261-I263 PolarHBondContact O-N 3.28Å; I263-S265 VanDerWaalsContact C-N 3.32Å; I263-S265 PolarHBondContact O-N 2.94Å; I263-R266 PolarHBondContact O-N 3.25Å; I263-R266 VanDerWaalsContact O-N 3.16Å; I263-V267 WeakPolarHBondContact O-CG2 3.24Å; I263-V267 PolarHBondContact O-N 3.29Å |
| 264 | T | 97.8 | Very high | 97.4 | Very high | 7 Ų | 7 | 59.2 Ų | 59.2 | 4% | 0.043 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57 | -46.9 | 175.9 | -47.4 | 0 | 0 | 0 | 0 | 110.7 | F173 L254 T260 T261 R266 V267 A268 | F173-T264 HydrophobicContact CD2-CG2 4.44Å; F173-T264 HydrophobicContact CE1-CG2 4.24Å; F173-T264 HydrophobicContact CE2-CG2 3.99Å; F173-T264 HydrophobicContact CZ-CG2 3.88Å; L254-T264 HydrophobicContact CD1-CG2 4.09Å; L254-T264 HydrophobicContact CD2-CG2 4.21Å; L254-T264 HydrophobicContact CG-CG2 4.4Å; T260-T264 WeakPolarHBondContact OG1-CB 3.28Å; T260-T264 VanDerWaalsContact OG1-CG2 3.22Å; T260-T264 WeakPolarHBondContact OG1-CG2 3.3Å; T261-T264 PolarHBondContact O-N 2.93Å; T261-T264 VanDerWaalsContact O-N 3.11Å; T261-T264 PolarHBondContact OG1-N 2.87Å; T261-T264 VanDerWaalsContact OG1-N 3.09Å; T261-T264 PolarHBondContact OG1-OG1 3.08Å; T264-R266 VanDerWaalsContact C-N 3.34Å; T264-R266 PolarHBondContact O-N 3.48Å; T264-V267 PolarHBondContact O-N 3.19Å; T264-A268 WeakPolarHBondContact O-CB 3.43Å; T264-A268 PolarHBondContact O-N 3.07Å |
| 265 | S | 98 | Very high | 97.4 | Very high | 12 Ų | 12 | 63.6 Ų | 63.6 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.8 | -41.8 | 177 | -176.2 | 0 | 0 | 0 | 0 | 112 | A255 T261 I263 A268 R269 | A255-S265 PolarHBondContact O-OG 2.98Å; T261-S265 PolarHBondContact O-N 3.04Å; I263-S265 VanDerWaalsContact C-N 3.32Å; I263-S265 PolarHBondContact O-N 2.94Å; S265-A268 PolarHBondContact O-N 2.84Å; S265-R269 WeakPolarHBondContact O-CG 3.48Å; S265-R269 PolarHBondContact O-N 3.47Å; S265-R269 PolarHBondContact OG-NE 2.92Å; S265-R269 PolarHBondContact OG-NH2 3.44Å |
| 266 | R | 98.6 | Very high | 97.4 | Very high | 172 Ų | 172 | 71.9 Ų | 71.9 | 65% | 0.649 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.7 | -45.3 | 177.2 | -179.5 | 58.9 | 61.5 | 80.7 | 2.4 | 112 | P262 I263 T264 R269 L270 | P262-R266 WeakPolarHBondContact O-CB 3.39Å; P262-R266 PolarHBondContact O-N 3.45Å; I263-R266 PolarHBondContact O-N 3.25Å; I263-R266 VanDerWaalsContact O-N 3.16Å; T264-R266 VanDerWaalsContact C-N 3.34Å; T264-R266 PolarHBondContact O-N 3.48Å; R266-R269 PolarHBondContact O-N 3.47Å; R266-L270 PolarHBondContact O-N 2.87Å |
| 267 | V | 98.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.018 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.3 | -36.9 | 177.9 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | F173 L206 I226 I263 T264 R269 L270 L271 | F173-V267 HydrophobicContact CE2-CB 3.78Å; F173-V267 HydrophobicContact CE2-CG1 3.58Å; F173-V267 HydrophobicContact CZ-CB 4.19Å; F173-V267 HydrophobicContact CZ-CG1 3.87Å; L206-V267 HydrophobicContact CD1-CG1 3.99Å; I226-V267 HydrophobicContact CD1-CG2 3.78Å; I226-V267 HydrophobicContact CG2-CG1 4.08Å; I226-V267 HydrophobicContact CG2-CG2 4.47Å; I263-V267 WeakPolarHBondContact O-CG2 3.24Å; I263-V267 PolarHBondContact O-N 3.29Å; T264-V267 PolarHBondContact O-N 3.19Å; V267-R269 VanDerWaalsContact C-N 3.3Å; V267-R269 PolarHBondContact O-N 2.93Å; V267-L270 WeakPolarHBondContact O-CB 3.42Å; V267-L270 PolarHBondContact O-N 3.25Å; V267-L270 VanDerWaalsContact O-N 3.14Å; V267-L271 HydrophobicContact CG1-CD1 4.21Å; V267-L271 PolarHBondContact O-N 3.44Å |
| 268 | A | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.8 | -41.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L251 L254 A255 T264 S265 L271 L272 | L251-A268 HydrophobicContact CD1-CB 4.01Å; L254-A268 HydrophobicContact CB-CB 4.27Å; L254-A268 HydrophobicContact CD2-CB 3.92Å; L254-A268 HydrophobicContact CG-CB 3.88Å; A255-A268 HydrophobicContact CB-CB 4.15Å; T264-A268 WeakPolarHBondContact O-CB 3.43Å; T264-A268 PolarHBondContact O-N 3.07Å; S265-A268 PolarHBondContact O-N 2.84Å; A268-L271 PolarHBondContact O-N 2.92Å; A268-L272 WeakPolarHBondContact O-CB 3.38Å; A268-L272 PolarHBondContact O-N 3.34Å |
| 269 | R | 98.8 | Very high | 97.8 | Very high | 134 Ų | 134 | 62 Ų | 62 | 51% | 0.506 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.9 | -37.2 | 173.6 | -66.8 | 169 | -167 | 177.6 | 5.4 | 112.5 | A255 S265 R266 V267 L272 Y273 | A255-R269 HydrophobicContact CB-CG 3.92Å; A255-R269 PolarHBondContact O-NE 3.45Å; A255-R269 VanDerWaalsContact O-NE 3.13Å; A255-R269 PolarHBondContact O-NH2 3.43Å; S265-R269 WeakPolarHBondContact O-CG 3.48Å; S265-R269 PolarHBondContact O-N 3.47Å; S265-R269 PolarHBondContact OG-NE 2.92Å; S265-R269 PolarHBondContact OG-NH2 3.44Å; R266-R269 PolarHBondContact O-N 3.47Å; V267-R269 VanDerWaalsContact C-N 3.3Å; V267-R269 PolarHBondContact O-N 2.93Å; R269-L272 PolarHBondContact O-N 3.37Å; R269-Y273 PolarHBondContact O-N 3.48Å |
| 270 | L | 98.8 | Very high | 97.9 | Very high | 52 Ų | 52 | 60.2 Ų | 60.2 | 27% | 0.272 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 174.6 | -175.3 | 66.6 | 0 | 0 | 0 | 111 | L206 R266 V267 L272 Y273 G274 I282 | L206-L270 HydrophobicContact CB-CD2 4.29Å; R266-L270 PolarHBondContact O-N 2.87Å; V267-L270 WeakPolarHBondContact O-CB 3.42Å; V267-L270 PolarHBondContact O-N 3.25Å; V267-L270 VanDerWaalsContact O-N 3.14Å; L270-L272 VanDerWaalsContact C-N 3.31Å; L270-L272 PolarHBondContact O-N 2.94Å; L270-Y273 WeakPolarHBondContact O-CB 3.32Å; L270-Y273 PolarHBondContact O-N 2.99Å; L270-G274 PolarHBondContact O-N 2.96Å; L270-I282 HydrophobicContact CD1-CB 3.89Å; L270-I282 HydrophobicContact CD1-CG2 3.45Å; L270-I282 VanDerWaalsContact CD1-CG2 3.45Å; L270-I282 HydrophobicContact CD2-CB 4.47Å; L270-I282 HydrophobicContact CG-CB 3.96Å; L270-I282 HydrophobicContact CG-CD1 4.23Å; L270-I282 HydrophobicContact CG-CG2 3.9Å; L270-I282 WeakPolarHBondContact O-CD1 3.47Å |
| 271 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.5 | -40 | 173.3 | -78.3 | 166.3 | 0 | 0 | 0 | 112.1 | A149 I158 L206 R228 L251 V267 A268 Y273 G274 Y275 F279 I282 | A149-L271 HydrophobicContact CB-CD1 3.99Å; I158-L271 HydrophobicContact CD1-CD1 3.92Å; L206-L271 HydrophobicContact CD1-CD1 4.33Å; L206-L271 HydrophobicContact CD1-CD2 3.81Å; L206-L271 HydrophobicContact CD1-CG 4.01Å; L206-L271 HydrophobicContact CD2-CD2 4.48Å; R228-L271 HydrophobicContact CG-CD2 3.98Å; L251-L271 HydrophobicContact CD1-CB 4.1Å; L251-L271 HydrophobicContact CD1-CD1 4.4Å; L251-L271 HydrophobicContact CD2-CB 3.91Å; V267-L271 HydrophobicContact CG1-CD1 4.21Å; V267-L271 PolarHBondContact O-N 3.44Å; A268-L271 PolarHBondContact O-N 2.92Å; L271-Y273 VanDerWaalsContact C-N 3.3Å; L271-Y273 PolarHBondContact O-N 3.26Å; L271-G274 PolarHBondContact O-N 3.39Å; L271-Y275 WeakPolarHBondContact O-CB 3.47Å; L271-Y275 PolarHBondContact O-N 2.99Å; L271-F279 HydrophobicContact CD2-CE1 4.34Å; L271-I282 HydrophobicContact CD2-CD1 4.34Å |
| 272 | L | 98.6 | Very high | 98.2 | Very high | 30 Ų | 30 | 63.3 Ų | 63.3 | 16% | 0.157 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.2 | -36.5 | 178.1 | -176.1 | 62.2 | 0 | 0 | 0 | 111.5 | L251 N252 A268 R269 L270 R276 | L251-L272 HydrophobicContact CD2-CB 4.03Å; L251-L272 HydrophobicContact CD2-CD1 4.27Å; L251-L272 HydrophobicContact CG-CB 4.39Å; N252-L272 VanDerWaalsContact OD1-CD1 3.25Å; N252-L272 WeakPolarHBondContact OD1-CD1 3.39Å; N252-L272 WeakPolarHBondContact OD1-CD2 3.26Å; A268-L272 WeakPolarHBondContact O-CB 3.38Å; A268-L272 PolarHBondContact O-N 3.34Å; R269-L272 PolarHBondContact O-N 3.37Å; L270-L272 VanDerWaalsContact C-N 3.31Å; L270-L272 PolarHBondContact O-N 2.94Å; L272-R276 VanDerWaalsContact O-CG 3.28Å; L272-R276 WeakPolarHBondContact O-CG 3.42Å; L272-R276 PolarHBondContact O-N 3.31Å |
| 273 | Y | 98.8 | Very high | 98.2 | Very high | 111 Ų | 111 | 58.9 Ų | 58.9 | 44% | 0.435 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.4 | -49.8 | 171.4 | 172 | -122.3 | 0 | 0 | 0 | 111.1 | R269 L270 L271 Y275 R276 E277 K281 I282 | R269-Y273 PolarHBondContact O-N 3.48Å; L270-Y273 WeakPolarHBondContact O-CB 3.32Å; L270-Y273 PolarHBondContact O-N 2.99Å; L271-Y273 VanDerWaalsContact C-N 3.3Å; L271-Y273 PolarHBondContact O-N 3.26Å; Y273-Y275 VanDerWaalsContact C-N 3.33Å; Y273-Y275 PolarHBondContact O-N 2.83Å; Y273-R276 PolarHBondContact O-N 3.4Å; Y273-R276 VanDerWaalsContact O-N 3.14Å; Y273-E277 HydrophobicContact CD2-CB 3.95Å; Y273-E277 HydrophobicContact CD2-CG 3.61Å; Y273-E277 HydrophobicContact CE2-CB 3.66Å; Y273-E277 HydrophobicContact CE2-CG 3.55Å; Y273-E277 WeakPolarHBondContact O-CB 3.5Å; Y273-E277 PolarHBondContact O-N 3.04Å; Y273-K281 HydrophobicContact CD1-CB 4.39Å; Y273-K281 HydrophobicContact CE1-CB 3.53Å; Y273-K281 HydrophobicContact CE1-CG 4.28Å; Y273-I282 HydrophobicContact CD1-CG2 3.5Å; Y273-I282 HydrophobicContact CE1-CG2 3.99Å |
| 274 | G | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.3 | -37.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L270 L271 R276 G278 F279 | L270-G274 PolarHBondContact O-N 2.96Å; L271-G274 PolarHBondContact O-N 3.39Å; G274-R276 VanDerWaalsContact C-N 3.31Å; G274-R276 PolarHBondContact O-N 2.66Å; G274-G278 WeakPolarHBondContact CA-O 3.23Å; G274-G278 CarbonylContact O-C 3.45Å; G274-G278 WeakPolarHBondContact O-CA 3.22Å; G274-G278 PolarHBondContact O-N 3.37Å; G274-F279 PolarHBondContact O-N 3.4Å |
| 275 | Y | 98.4 | Very high | 98.1 | Very high | 92 Ų | 92 | 59.4 Ų | 59.4 | 36% | 0.361 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64 | -34.7 | 175.7 | 176.2 | -107.5 | 0 | 0 | 0 | 112.8 | F151 E153 R156 L271 Y273 | F151-Y275 AromaticContact CE1-CD2 3.66Å; F151-Y275 HydrophobicContact CE1-CD2 3.66Å; F151-Y275 HydrophobicContact CE1-CE2 4.46Å; F151-Y275 HydrophobicContact CE1-CG 4.12Å; F151-Y275 AromaticContact CZ-CD2 3.71Å; F151-Y275 HydrophobicContact CZ-CD2 3.71Å; F151-Y275 HydrophobicContact CZ-CE2 4.3Å; F151-Y275 AromaticContact CZ-CG 3.96Å; F151-Y275 HydrophobicContact CZ-CG 3.96Å; E153-Y275 WeakPolarHBondContact O-CE2 3.36Å; R156-Y275 HydrophobicContact CG-CD1 4.18Å; R156-Y275 HydrophobicContact CG-CE1 3.88Å; L271-Y275 WeakPolarHBondContact O-CB 3.47Å; L271-Y275 PolarHBondContact O-N 2.99Å; Y273-Y275 VanDerWaalsContact C-N 3.33Å; Y273-Y275 PolarHBondContact O-N 2.83Å |
| 276 | R | 98.3 | Very high | 97.9 | Very high | 179 Ų | 179 | 61.7 Ų | 61.7 | 68% | 0.675 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -87.4 | -35.3 | -177.7 | -69.9 | 177.3 | 70.8 | -179.3 | 1.9 | 113.4 | L272 Y273 G274 | L272-R276 VanDerWaalsContact O-CG 3.28Å; L272-R276 WeakPolarHBondContact O-CG 3.42Å; L272-R276 PolarHBondContact O-N 3.31Å; Y273-R276 PolarHBondContact O-N 3.4Å; Y273-R276 VanDerWaalsContact O-N 3.14Å; G274-R276 VanDerWaalsContact C-N 3.31Å; G274-R276 PolarHBondContact O-N 2.66Å |
| 277 | E | 98.5 | Very high | 97.6 | Very high | 114 Ų | 114 | 57.1 Ų | 57.1 | 53% | 0.533 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -120.6 | -1.4 | -165.4 | -54.2 | -69.2 | 169.6 | 0 | 0 | 113.1 | Y273 | Y273-E277 HydrophobicContact CD2-CB 3.95Å; Y273-E277 HydrophobicContact CD2-CG 3.61Å; Y273-E277 HydrophobicContact CE2-CB 3.66Å; Y273-E277 HydrophobicContact CE2-CG 3.55Å; Y273-E277 WeakPolarHBondContact O-CB 3.5Å; Y273-E277 PolarHBondContact O-N 3.04Å |
| 278 | G | 98.1 | Very high | 97.3 | Very high | 24 Ų | 24 | 62 Ų | 62 | 25% | 0.247 | 29% | 0.287 | C | S | . | . | trans | 108.3 | 133.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | G274 D280 K281 | G274-G278 WeakPolarHBondContact CA-O 3.23Å; G274-G278 CarbonylContact O-C 3.45Å; G274-G278 WeakPolarHBondContact O-CA 3.22Å; G274-G278 PolarHBondContact O-N 3.37Å; G278-D280 WeakPolarHBondContact CA-OD1 3.48Å; G278-D280 PolarHBondContact O-N 2.74Å; G278-K281 WeakPolarHBondContact O-CB 3.4Å; G278-K281 WeakPolarHBondContact O-CG 3.47Å; G278-K281 PolarHBondContact O-N 3.18Å; G278-K281 VanDerWaalsContact O-N 3.14Å | ||
| 279 | F | 98.3 | Very high | 97.1 | Very high | 30 Ų | 30 | 64.8 Ų | 64.8 | 13% | 0.132 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -68.3 | -21.3 | 178.4 | -71.7 | -65.4 | 0 | 0 | 0 | 113.4 | F151 E153 L271 G274 K281 I282 D283 | F151-F279 HydrophobicContact CD1-CE1 4.42Å; F151-F279 AromaticContact CD1-CZ 3.81Å; F151-F279 HydrophobicContact CD1-CZ 3.81Å; F151-F279 AromaticContact CE1-CZ 3.75Å; F151-F279 HydrophobicContact CE1-CZ 3.75Å; E153-F279 HydrophobicContact CG-CE2 3.76Å; E153-F279 HydrophobicContact CG-CZ 4.02Å; E153-F279 WeakPolarHBondContact OE1-CE2 3.36Å; L271-F279 HydrophobicContact CD2-CE1 4.34Å; G274-F279 PolarHBondContact O-N 3.4Å; F279-K281 PolarHBondContact O-N 3.07Å; F279-I282 HydrophobicContact CD1-CD1 3.82Å; F279-I282 HydrophobicContact CD1-CG1 4.14Å; F279-I282 HydrophobicContact CE1-CD1 4.24Å; F279-I282 PolarHBondContact O-N 2.93Å; F279-D283 WeakPolarHBondContact O-CB 3.33Å; F279-D283 VanDerWaalsContact O-CG 3.24Å; F279-D283 PolarHBondContact O-N 3.35Å |
| 280 | D | 96.5 | Very high | 96.8 | Very high | 63 Ų | 63 | 62.8 Ų | 62.8 | 34% | 0.337 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -53.1 | -28.1 | 170.1 | 66.1 | -68.5 | 0 | 0 | 0 | 111.4 | G278 I282 K303 | G278-D280 WeakPolarHBondContact CA-OD1 3.48Å; G278-D280 PolarHBondContact O-N 2.74Å; D280-I282 VanDerWaalsContact C-N 3.33Å; D280-I282 PolarHBondContact O-N 2.97Å; D280-K303 WeakPolarHBondContact O-CE 3.39Å; D280-K303 PolarHBondContact O-NZ 3.08Å |
| 281 | K | 97.8 | Very high | 96.5 | Very high | 109 Ų | 109 | 60.7 Ų | 60.7 | 47% | 0.474 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -72.7 | -22.6 | 179.8 | -54.8 | -57.9 | 177.5 | -143.5 | 0 | 114.6 | Y273 G278 F279 | Y273-K281 HydrophobicContact CD1-CB 4.39Å; Y273-K281 HydrophobicContact CE1-CB 3.53Å; Y273-K281 HydrophobicContact CE1-CG 4.28Å; G278-K281 WeakPolarHBondContact O-CB 3.4Å; G278-K281 WeakPolarHBondContact O-CG 3.47Å; G278-K281 PolarHBondContact O-N 3.18Å; G278-K281 VanDerWaalsContact O-N 3.14Å; F279-K281 PolarHBondContact O-N 3.07Å |
| 282 | I | 98.3 | Very high | 95.9 | Very high | 12 Ų | 12 | 66.6 Ų | 66.6 | 6% | 0.062 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | -19.1 | -170.5 | 70.4 | 170.3 | 0 | 0 | 0 | 113.6 | L206 L270 L271 Y273 F279 D280 | L206-I282 HydrophobicContact CD2-CD1 3.71Å; L206-I282 HydrophobicContact CD2-CG1 3.98Å; L270-I282 HydrophobicContact CD1-CB 3.89Å; L270-I282 HydrophobicContact CD1-CG2 3.45Å; L270-I282 VanDerWaalsContact CD1-CG2 3.45Å; L270-I282 HydrophobicContact CD2-CB 4.47Å; L270-I282 HydrophobicContact CG-CB 3.96Å; L270-I282 HydrophobicContact CG-CD1 4.23Å; L270-I282 HydrophobicContact CG-CG2 3.9Å; L270-I282 WeakPolarHBondContact O-CD1 3.47Å; L271-I282 HydrophobicContact CD2-CD1 4.34Å; Y273-I282 HydrophobicContact CD1-CG2 3.5Å; Y273-I282 HydrophobicContact CE1-CG2 3.99Å; F279-I282 HydrophobicContact CD1-CD1 3.82Å; F279-I282 HydrophobicContact CD1-CG1 4.14Å; F279-I282 HydrophobicContact CE1-CD1 4.24Å; F279-I282 PolarHBondContact O-N 2.93Å; D280-I282 VanDerWaalsContact C-N 3.33Å; D280-I282 PolarHBondContact O-N 2.97Å |
| 283 | D | 98.3 | Very high | 95 | Very high | 20 Ų | 20 | 72.2 Ų | 72.2 | 11% | 0.107 | 36% | 0.357 | C | S | . | . | trans | -76.9 | 130.9 | -176 | -74.8 | -14.7 | 0 | 0 | 0 | 112 | S204 R228 F279 | S204-D283 VanDerWaalsContact CB-OD1 3.32Å; S204-D283 WeakPolarHBondContact CB-OD1 3.15Å; S204-D283 PolarHBondContact OG-OD1 3.23Å; R228-D283 IonicContact CZ-OD1 3.74Å; R228-D283 IonicContact CZ-OD2 3.09Å; R228-D283 IonicContact NE-OD1 3.93Å; R228-D283 PolarHBondContact NE-OD1 3.39Å; R228-D283 IonicContact NE-OD2 2.64Å; R228-D283 IonicContact NH2-OD1 3.83Å; R228-D283 IonicContact NH2-OD2 3.64Å; R228-D283 PolarHBondContact NH2-OD2 2.64Å; F279-D283 WeakPolarHBondContact O-CB 3.33Å; F279-D283 VanDerWaalsContact O-CG 3.24Å; F279-D283 PolarHBondContact O-N 3.35Å | ||
| 284 | L | 97.9 | Very high | 94.2 | Very high | 51 Ų | 51 | 70.2 Ų | 70.2 | 27% | 0.267 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 115.5 | 160.3 | -54.2 | 175 | 0 | 0 | 0 | 107.8 | L205 H302 K303 | L205-L284 HydrophobicContact CB-CB 4.06Å; L205-L284 HydrophobicContact CB-CD1 4.47Å; L205-L284 PolarHBondContact N-O 2.9Å; L205-L284 WeakPolarHBondContact O-CB 2.96Å; L205-L284 PolarHBondContact O-N 3.09Å; L284-H302 CarbonylContact C-O 3.3Å; L284-H302 VanDerWaalsContact CA-O 3.28Å; L284-H302 WeakPolarHBondContact CA-O 3.39Å; L284-K303 HydrophobicContact CD2-CB 4.25Å |
| 285 | T | 92.7 | Very high | 93.6 | Very high | 39 Ų | 39 | 73.5 Ų | 73.5 | 24% | 0.239 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 162.2 | 178 | 52.2 | 0 | 0 | 0 | 0 | 111.1 | Y301 H302 E304 | T285-Y301 VanDerWaalsContact O-CA 3.27Å; T285-Y301 WeakPolarHBondContact O-CA 3.5Å; T285-H302 PolarHBondContact N-O 3.47Å; T285-H302 PolarHBondContact O-N 3.46Å; T285-H302 PolarHBondContact OG1-O 2.88Å; T285-H302 VanDerWaalsContact OG1-O 3.11Å; T285-E304 HydrophobicContact CG2-CB 3.77Å; T285-E304 HydrophobicContact CG2-CG 4.14Å; T285-E304 WeakPolarHBondContact OG1-CA 3.36Å |
| 286 | V | 94.2 | Very high | 93.2 | Very high | 60 Ų | 60 | 74.4 Ų | 74.4 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 136.9 | 174.1 | 64.2 | 0 | 0 | 0 | 0 | 110.2 | F202 K299 L300 Y301 | F202-V286 HydrophobicContact CE1-CG1 3.98Å; V286-K299 HydrophobicContact CG2-CB 3.82Å; V286-K299 HydrophobicContact CG2-CD 4.36Å; V286-K299 HydrophobicContact CG2-CG 4.44Å; V286-L300 CarbonylContact C-O 3.53Å; V286-L300 WeakPolarHBondContact CA-O 3.48Å; V286-Y301 HydrophobicContact CB-CD1 3.67Å; V286-Y301 HydrophobicContact CB-CE1 3.51Å; V286-Y301 HydrophobicContact CB-CG 4.48Å; V286-Y301 HydrophobicContact CG1-CE1 4.43Å; V286-Y301 HydrophobicContact CG2-CD1 3.84Å; V286-Y301 HydrophobicContact CG2-CD2 4.43Å; V286-Y301 HydrophobicContact CG2-CE1 3.45Å; V286-Y301 VanDerWaalsContact CG2-CE1 3.45Å; V286-Y301 HydrophobicContact CG2-CE2 4.05Å; V286-Y301 HydrophobicContact CG2-CG 4.34Å |
| 287 | E | 92.8 | Very high | 92.9 | Very high | 76 Ų | 76 | 72.1 Ų | 72.1 | 36% | 0.355 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 138 | 171.7 | -173.8 | 173 | 178.6 | 0 | 0 | 109.7 | L289 K299 L300 H302 | E287-L289 HydrophobicContact CG-CD2 4.14Å; E287-L289 HydrophobicContact CG-CG 4.18Å; E287-K299 WeakPolarHBondContact O-CA 3.37Å; E287-L300 PolarHBondContact N-O 2.96Å; E287-L300 PolarHBondContact O-N 2.83Å; E287-H302 IonicContact OE2-NE2 3.66Å |
| 288 | E | 92.8 | Very high | 92.6 | Very high | 106 Ų | 106 | 73 Ų | 73 | 50% | 0.495 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 122.9 | 174.1 | -168.6 | 167.9 | 99.9 | 0 | 0 | 110 | F297 Y298 K299 | E288-F297 HydrophobicContact CG-CB 3.7Å; E288-F297 HydrophobicContact CG-CD1 3.93Å; E288-F297 HydrophobicContact CG-CG 4.09Å; E288-Y298 CarbonylContact C-O 3.29Å; E288-Y298 VanDerWaalsContact CA-O 3.3Å; E288-Y298 WeakPolarHBondContact CA-O 3.39Å; E288-K299 WeakPolarHBondContact OE2-CE 3.5Å; E288-K299 IonicContact OE2-NZ 3.38Å; E288-K299 PolarHBondContact OE2-NZ 2.86Å |
| 289 | L | 93.2 | Very high | 92.3 | Very high | 58 Ų | 58 | 75.8 Ų | 75.8 | 30% | 0.304 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 141.2 | -175 | -68.1 | 172.7 | 0 | 0 | 0 | 110.8 | E287 F297 Y298 L300 | E287-L289 HydrophobicContact CG-CD2 4.14Å; E287-L289 HydrophobicContact CG-CG 4.18Å; L289-F297 CarbonylContact O-C 3.51Å; L289-F297 WeakPolarHBondContact O-CA 3.48Å; L289-Y298 PolarHBondContact N-O 3.08Å; L289-Y298 PolarHBondContact O-N 3.17Å; L289-L300 HydrophobicContact CD1-CB 3.98Å; L289-L300 HydrophobicContact CD1-CD2 3.63Å; L289-L300 HydrophobicContact CD1-CG 4.44Å |
| 290 | P | 93.9 | Very high | 92.2 | Very high | 91 Ų | 91 | 78.5 Ų | 78.5 | 59% | 0.591 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 139.5 | -179.4 | 29.2 | -34.6 | 0 | 0 | 0 | 111.8 | F297 | P290-F297 HydrophobicContact CB-CD1 4.43Å; P290-F297 HydrophobicContact CB-CE1 4.33Å |
| 291 | A | 91.1 | Very high | 92.2 | Very high | 9 Ų | 9 | 78.2 Ų | 78.2 | 7% | 0.074 | 41% | 0.411 | C | S | . | . | trans | -77.7 | 134.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | H293 T294 L296 Y298 | A291-H293 VanDerWaalsContact C-N 3.31Å; A291-H293 PolarHBondContact O-N 3.26Å; A291-T294 WeakPolarHBondContact CB-OG1 3.2Å; A291-L296 HydrophobicContact CB-CB 4.38Å; A291-L296 VanDerWaalsContact CB-O 3.27Å; A291-L296 WeakPolarHBondContact CB-O 3.43Å; A291-L296 PolarHBondContact N-O 3.29Å; A291-Y298 VanDerWaalsContact CA-CE2 3.45Å; A291-Y298 HydrophobicContact CB-CD2 4.06Å; A291-Y298 HydrophobicContact CB-CE1 4.22Å; A291-Y298 HydrophobicContact CB-CE2 3.44Å; A291-Y298 VanDerWaalsContact CB-CE2 3.44Å | ||
| 292 | V | 87.9 | Confident | 92.1 | Very high | 124 Ų | 124 | 75.3 Ų | 75.3 | 75% | 0.752 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -30.2 | -174.7 | -178.1 | 0 | 0 | 0 | 0 | 113 | ||
| 293 | H | 78.7 | Confident | 92.1 | Very high | 147 Ų | 147 | 79.1 Ų | 79.1 | 68% | 0.681 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.8 | -4.8 | -164.3 | -63.2 | -52.6 | 0 | 0 | 0 | 115.9 | A291 | A291-H293 VanDerWaalsContact C-N 3.31Å; A291-H293 PolarHBondContact O-N 3.26Å |
| 294 | T | 81.9 | Confident | 91.8 | Very high | 70 Ų | 70 | 82.6 Ų | 82.6 | 43% | 0.429 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.5 | -8 | -169.7 | 56.4 | 0 | 0 | 0 | 0 | 113.4 | A291 L296 | A291-T294 WeakPolarHBondContact CB-OG1 3.2Å; T294-L296 PolarHBondContact O-N 2.96Å; T294-L296 WeakPolarHBondContact OG1-CB 3.35Å; T294-L296 WeakPolarHBondContact OG1-CG 3.43Å; T294-L296 PolarHBondContact OG1-N 2.94Å |
| 295 | G | 85.9 | Confident | 91.6 | Very high | 69 Ų | 69 | 83.5 Ų | 83.5 | 71% | 0.711 | 44% | 0.435 | S | S | * | . | S | Bend | trans | 64.7 | 11.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 296 | L | 90.5 | Very high | 91.5 | Very high | 112 Ų | 112 | 85 Ų | 85 | 59% | 0.586 | 45% | 0.446 | S | S | * | . | trans | -90.6 | -178 | 175.8 | -57.3 | 177.8 | 0 | 0 | 0 | 110.3 | A291 T294 | A291-L296 HydrophobicContact CB-CB 4.38Å; A291-L296 VanDerWaalsContact CB-O 3.27Å; A291-L296 WeakPolarHBondContact CB-O 3.43Å; A291-L296 PolarHBondContact N-O 3.29Å; T294-L296 PolarHBondContact O-N 2.96Å; T294-L296 WeakPolarHBondContact OG1-CB 3.35Å; T294-L296 WeakPolarHBondContact OG1-CG 3.43Å; T294-L296 PolarHBondContact OG1-N 2.94Å | ||
| 297 | F | 90.8 | Very high | 91.2 | Very high | 130 Ų | 130 | 87.4 Ų | 87.4 | 57% | 0.57 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 151.7 | 177.1 | -64 | -92.3 | 0 | 0 | 0 | 111.2 | E288 L289 P290 | E288-F297 HydrophobicContact CG-CB 3.7Å; E288-F297 HydrophobicContact CG-CD1 3.93Å; E288-F297 HydrophobicContact CG-CG 4.09Å; L289-F297 CarbonylContact O-C 3.51Å; L289-F297 WeakPolarHBondContact O-CA 3.48Å; P290-F297 HydrophobicContact CB-CD1 4.43Å; P290-F297 HydrophobicContact CB-CE1 4.33Å |
| 298 | Y | 92.2 | Very high | 91.2 | Very high | 134 Ų | 134 | 88.2 Ų | 88.2 | 53% | 0.525 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 147.1 | 170.2 | -60.5 | -57.1 | 0 | 0 | 0 | 109.5 | E288 L289 A291 | E288-Y298 CarbonylContact C-O 3.29Å; E288-Y298 VanDerWaalsContact CA-O 3.3Å; E288-Y298 WeakPolarHBondContact CA-O 3.39Å; L289-Y298 PolarHBondContact N-O 3.08Å; L289-Y298 PolarHBondContact O-N 3.17Å; A291-Y298 VanDerWaalsContact CA-CE2 3.45Å; A291-Y298 HydrophobicContact CB-CD2 4.06Å; A291-Y298 HydrophobicContact CB-CE1 4.22Å; A291-Y298 HydrophobicContact CB-CE2 3.44Å; A291-Y298 VanDerWaalsContact CB-CE2 3.44Å |
| 299 | K | 93.6 | Very high | 91.1 | Very high | 81 Ų | 81 | 89.7 Ų | 89.7 | 35% | 0.352 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 108.9 | 163.7 | -61.5 | -158.5 | 179.7 | -142 | 0 | 108.8 | D183 V286 E287 E288 Y301 | D183-K299 WeakPolarHBondContact OD1-CD 3.42Å; D183-K299 WeakPolarHBondContact OD1-CE 3.47Å; D183-K299 IonicContact OD1-NZ 2.65Å; D183-K299 WeakPolarHBondContact OD2-CE 3.4Å; D183-K299 IonicContact OD2-NZ 3.56Å; D183-K299 PolarHBondContact OD2-NZ 3.44Å; V286-K299 HydrophobicContact CG2-CB 3.82Å; V286-K299 HydrophobicContact CG2-CD 4.36Å; V286-K299 HydrophobicContact CG2-CG 4.44Å; E287-K299 WeakPolarHBondContact O-CA 3.37Å; E288-K299 WeakPolarHBondContact OE2-CE 3.5Å; E288-K299 IonicContact OE2-NZ 3.38Å; E288-K299 PolarHBondContact OE2-NZ 2.86Å; K299-Y301 HydrophobicContact CB-CE2 3.77Å; K299-Y301 WeakPolarHBondContact O-CD2 3.29Å |
| 300 | L | 95.4 | Very high | 90.8 | Very high | 88 Ų | 88 | 91 Ų | 91 | 46% | 0.461 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 119.7 | -179.7 | -171.8 | 68 | 0 | 0 | 0 | 109.4 | V286 E287 L289 | V286-L300 CarbonylContact C-O 3.53Å; V286-L300 WeakPolarHBondContact CA-O 3.48Å; E287-L300 PolarHBondContact N-O 2.96Å; E287-L300 PolarHBondContact O-N 2.83Å; L289-L300 HydrophobicContact CD1-CB 3.98Å; L289-L300 HydrophobicContact CD1-CD2 3.63Å; L289-L300 HydrophobicContact CD1-CG 4.44Å |
| 301 | Y | 95.7 | Very high | 90.3 | Very high | 57 Ų | 57 | 91.1 Ų | 91.1 | 22% | 0.224 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 124 | 177.8 | -61.7 | -92.9 | 0 | 0 | 0 | 110.3 | I184 F202 L205 T285 V286 K299 | I184-Y301 HydrophobicContact CD1-CD2 4.46Å; I184-Y301 HydrophobicContact CD1-CE2 3.67Å; F202-Y301 HydrophobicContact CZ-CE1 4.43Å; L205-Y301 HydrophobicContact CD1-CD1 3.22Å; L205-Y301 HydrophobicContact CD1-CD2 4.23Å; L205-Y301 HydrophobicContact CD1-CE1 3.67Å; L205-Y301 HydrophobicContact CD1-CG 3.51Å; L205-Y301 HydrophobicContact CD2-CD1 4.4Å; L205-Y301 HydrophobicContact CD2-CE1 4.21Å; L205-Y301 HydrophobicContact CG-CD1 3.44Å; L205-Y301 VanDerWaalsContact CG-CD1 3.44Å; L205-Y301 HydrophobicContact CG-CE1 3.73Å; L205-Y301 HydrophobicContact CG-CG 4.24Å; T285-Y301 VanDerWaalsContact O-CA 3.27Å; T285-Y301 WeakPolarHBondContact O-CA 3.5Å; V286-Y301 HydrophobicContact CB-CD1 3.67Å; V286-Y301 HydrophobicContact CB-CE1 3.51Å; V286-Y301 HydrophobicContact CB-CG 4.48Å; V286-Y301 HydrophobicContact CG1-CE1 4.43Å; V286-Y301 HydrophobicContact CG2-CD1 3.84Å; V286-Y301 HydrophobicContact CG2-CD2 4.43Å; V286-Y301 HydrophobicContact CG2-CE1 3.45Å; V286-Y301 VanDerWaalsContact CG2-CE1 3.45Å; V286-Y301 HydrophobicContact CG2-CE2 4.05Å; V286-Y301 HydrophobicContact CG2-CG 4.34Å; K299-Y301 HydrophobicContact CB-CE2 3.77Å; K299-Y301 WeakPolarHBondContact O-CD2 3.29Å |
| 302 | H | 96.7 | Very high | 89.5 | Confident | 47 Ų | 47 | 95.5 Ų | 95.5 | 22% | 0.218 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 166.7 | -179.2 | 60.8 | 91 | 0 | 0 | 0 | 111.1 | L284 T285 E287 E304 | L284-H302 CarbonylContact C-O 3.3Å; L284-H302 VanDerWaalsContact CA-O 3.28Å; L284-H302 WeakPolarHBondContact CA-O 3.39Å; T285-H302 PolarHBondContact N-O 3.47Å; T285-H302 PolarHBondContact O-N 3.46Å; T285-H302 PolarHBondContact OG1-O 2.88Å; T285-H302 VanDerWaalsContact OG1-O 3.11Å; E287-H302 IonicContact OE2-NE2 3.66Å; H302-E304 PolarHBondContact O-N 3.38Å |
| 303 | K | 97.1 | Very high | 88 | Confident | 92 Ų | 92 | 98.7 Ų | 98.7 | 40% | 0.4 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 136.3 | 169.1 | 173 | 64.5 | -172.1 | 101 | 0 | 109 | D280 L284 L305 | D280-K303 WeakPolarHBondContact O-CE 3.39Å; D280-K303 PolarHBondContact O-NZ 3.08Å; L284-K303 HydrophobicContact CD2-CB 4.25Å; K303-L305 PolarHBondContact O-N 3.03Å; K303-L305 VanDerWaalsContact O-N 3.11Å |
| 304 | E | 92.5 | Very high | 86.9 | Confident | 94 Ų | 94 | 95.1 Ų | 95.1 | 44% | 0.439 | 49% | 0.494 | S | S | . | . | trans | -46 | 121.7 | 177.4 | -172.7 | -177.1 | -173.6 | 0 | 0 | 111.3 | T285 H302 | T285-E304 HydrophobicContact CG2-CB 3.77Å; T285-E304 HydrophobicContact CG2-CG 4.14Å; T285-E304 WeakPolarHBondContact OG1-CA 3.36Å; H302-E304 PolarHBondContact O-N 3.38Å | ||
| 305 | L | 93.1 | Very high | 85.5 | Confident | 70 Ų | 70 | 97.3 Ų | 97.3 | 37% | 0.366 | 50% | 0.502 | S | S | . | . | trans | -94.6 | 125.2 | 177.4 | -172.9 | 64.9 | 0 | 0 | 0 | 108.4 | K303 K310 | K303-L305 PolarHBondContact O-N 3.03Å; K303-L305 VanDerWaalsContact O-N 3.11Å; L305-K310 HydrophobicContact CB-CG 4.04Å; L305-K310 HydrophobicContact CD2-CG 3.85Å; L305-K310 HydrophobicContact CG-CG 4Å; L305-K310 WeakPolarHBondContact O-CE 3.49Å; L305-K310 PolarHBondContact O-NZ 3.05Å | ||
| 306 | P | 91.6 | Very high | 83.9 | Confident | 71 Ų | 71 | 108.5 Ų | 108.5 | 46% | 0.461 | 53% | 0.525 | S | S | . | . | trans | -60.4 | 145 | 176.9 | -23.8 | 34.5 | 0 | 0 | 0 | 111.9 | N308 Y309 K310 | P306-N308 VanDerWaalsContact CB-OD1 3.28Å; P306-N308 WeakPolarHBondContact CB-OD1 3.45Å; P306-N308 PolarHBondContact O-N 2.98Å; P306-N308 VanDerWaalsContact O-N 3.15Å; P306-Y309 HydrophobicContact CB-CD2 4.18Å; P306-Y309 HydrophobicContact CG-CD2 4.4Å; P306-Y309 WeakPolarHBondContact O-CA 3.37Å; P306-Y309 PolarHBondContact O-N 3.05Å; P306-K310 PolarHBondContact O-N 3.11Å; P306-K310 VanDerWaalsContact O-N 3.15Å | ||
| 307 | D | 88.3 | Confident | 83.5 | Confident | 109 Ų | 109 | 108.4 Ų | 108.4 | 58% | 0.583 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.2 | -28.6 | -168.7 | -68.1 | -22.4 | 0 | 0 | 0 | 114.4 | Y309 K310 T311 | D307-Y309 PolarHBondContact O-N 3.36Å; D307-K310 PolarHBondContact O-N 3.27Å; D307-K310 IonicContact OD1-NZ 3.84Å; D307-K310 PolarHBondContact OD1-NZ 3.23Å; D307-T311 PolarHBondContact O-N 2.87Å; D307-T311 PolarHBondContact O-OG1 3.3Å |
| 308 | N | 91.4 | Very high | 83.2 | Confident | 94 Ų | 94 | 107.2 Ų | 107.2 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.7 | -30.1 | 173.4 | 64.2 | -44 | 0 | 0 | 0 | 112.3 | P306 M312 | P306-N308 VanDerWaalsContact CB-OD1 3.28Å; P306-N308 WeakPolarHBondContact CB-OD1 3.45Å; P306-N308 PolarHBondContact O-N 2.98Å; P306-N308 VanDerWaalsContact O-N 3.15Å; N308-M312 PolarHBondContact O-N 3.17Å |
| 309 | Y | 91.2 | Very high | 82.7 | Confident | 136 Ų | 136 | 105.7 Ų | 105.7 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -88.1 | -23.9 | 174.3 | -69.2 | -85.1 | 0 | 0 | 0 | 113.3 | P306 D307 M312 | P306-Y309 HydrophobicContact CB-CD2 4.18Å; P306-Y309 HydrophobicContact CG-CD2 4.4Å; P306-Y309 WeakPolarHBondContact O-CA 3.37Å; P306-Y309 PolarHBondContact O-N 3.05Å; D307-Y309 PolarHBondContact O-N 3.36Å; Y309-M312 HydrophobicContact CD1-SD 4.45Å |
| 310 | K | 87.3 | Confident | 82 | Confident | 85 Ų | 85 | 107.2 Ų | 107.2 | 37% | 0.37 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.3 | -42.6 | 174 | -73.3 | 179.1 | -178.6 | 146.8 | 0 | 112.3 | L305 P306 D307 | L305-K310 HydrophobicContact CB-CG 4.04Å; L305-K310 HydrophobicContact CD2-CG 3.85Å; L305-K310 HydrophobicContact CG-CG 4Å; L305-K310 WeakPolarHBondContact O-CE 3.49Å; L305-K310 PolarHBondContact O-NZ 3.05Å; P306-K310 PolarHBondContact O-N 3.11Å; P306-K310 VanDerWaalsContact O-N 3.15Å; D307-K310 PolarHBondContact O-N 3.27Å; D307-K310 IonicContact OD1-NZ 3.84Å; D307-K310 PolarHBondContact OD1-NZ 3.23Å |
| 311 | T | 84 | Confident | 81.2 | Confident | 94 Ų | 94 | 108.4 Ų | 108.4 | 58% | 0.577 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -99.4 | -18.4 | -170.9 | 57.3 | 0 | 0 | 0 | 0 | 114 | D307 K313 | D307-T311 PolarHBondContact O-N 2.87Å; D307-T311 PolarHBondContact O-OG1 3.3Å; T311-K313 PolarHBondContact O-N 2.95Å |
| 312 | M | 73.8 | Confident | 80.2 | Confident | 102 Ų | 102 | 111.8 Ų | 111.8 | 50% | 0.502 | 55% | 0.554 | S | S | . | * | trans | 39.8 | 39.7 | -179.5 | -72.6 | -66.9 | -71.5 | 0 | 0 | 113.6 | N308 Y309 G314 I315 | N308-M312 PolarHBondContact O-N 3.17Å; Y309-M312 HydrophobicContact CD1-SD 4.45Å; M312-G314 PolarHBondContact O-N 3.22Å; M312-I315 HydrophobicContact CE-CB 4.35Å | ||
| 313 | K | 56 | Low | 79 | Confident | 191 Ų | 191 | 116.4 Ų | 116.4 | 83% | 0.83 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 104.8 | 174.6 | -75.9 | -172 | 178.2 | -179.6 | 0 | 109 | T311 | T311-K313 PolarHBondContact O-N 2.95Š|
| 314 | G | 55 | Low | 77.6 | Confident | 72 Ų | 72 | 118.3 Ų | 118.3 | 74% | 0.742 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.2 | 31.3 | 163 | 0 | 0 | 0 | 0 | 0 | 117.3 | M312 | M312-G314 PolarHBondContact O-N 3.22Š|
| 315 | I | 53.6 | Low | 76.4 | Confident | 115 Ų | 115 | 120.3 Ų | 120.3 | 59% | 0.59 | 60% | 0.604 | S | S | * | * | trans | -119.7 | 92.9 | 167 | -52.5 | 177.7 | 0 | 0 | 0 | 107.7 | M312 | M312-I315 HydrophobicContact CE-CB 4.35Š| ||
| 316 | Y | 51.6 | Low | 74.9 | Confident | 305 Ų | 305 | 124.9 Ų | 124.9 | 100% | 1.196 | 63% | 0.626 | S | S | * | * | trans | -111.6 | 0 | 161.2 | -76.2 | -75.7 | 0 | 0 | 0 | 108.2 |
Retrieved 316 of 316 residues in 218.3 ms
(Link to these results)