| 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 | 35.9 | Very low | 31.9 | Very low | 222 Ų | 222 | 151.1 Ų | 151.1 | 100% | 1.094 | 79% | 0.786 | S | S | * | * | 0 | 90.4 | 0 | -66.6 | -145.1 | 92.8 | 0 | 0 | 107.2 | |||||
| 2 | T | 30 | Very low | 32 | Very low | 89 Ų | 89 | 152 Ų | 152 | 55% | 0.546 | 79% | 0.791 | S | S | . | * | 68.3 | 117.5 | 90.4 | 60.7 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 3 | Y | 33.3 | Very low | 32 | Very low | 209 Ų | 209 | 151 Ų | 151 | 82% | 0.82 | 80% | 0.803 | S | S | * | * | cis | -154.9 | 131.6 | 29.5 | -69.2 | -90.8 | 0 | 0 | 0 | 106 | ||||
| 4 | F | 29.7 | Very low | 32 | Very low | 186 Ų | 186 | 151.1 Ų | 151.1 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | 57.6 | 121.9 | 64.7 | -137.1 | -90.9 | 0 | 0 | 0 | 114.6 | |||||
| 5 | L | 33.1 | Very low | 32.2 | Very low | 109 Ų | 109 | 153.3 Ų | 153.3 | 57% | 0.571 | 80% | 0.802 | S | S | * | * | trans | 70.9 | 110.8 | 161.3 | -89 | 163.9 | 0 | 0 | 0 | 119.2 | K7 | L5-K7 HydrophobicContact CD2-CB 4.47Å; L5-K7 HydrophobicContact CD2-CD 3.98Å; L5-K7 HydrophobicContact CD2-CG 3.86Å | ||
| 6 | L | 36.3 | Very low | 32.6 | Very low | 176 Ų | 176 | 152.9 Ų | 152.9 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | -144.1 | 113.1 | 112.7 | -143.8 | 81.2 | 0 | 0 | 0 | 111.3 | |||||
| 7 | K | 28.5 | Very low | 33.1 | Very low | 171 Ų | 171 | 155.3 Ų | 155.3 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | trans | -59.8 | 143.3 | 163.9 | -83.6 | 162.2 | 162 | 171.8 | 0 | 109.6 | L5 | L5-K7 HydrophobicContact CD2-CB 4.47Å; L5-K7 HydrophobicContact CD2-CD 3.98Å; L5-K7 HydrophobicContact CD2-CG 3.86Å | ||
| 8 | M | 28.7 | Very low | 33.4 | Very low | 185 Ų | 185 | 157.8 Ų | 157.8 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | -149.8 | 115.3 | 127.4 | -90 | -159.7 | 75.8 | 0 | 0 | 108.9 | |||||
| 9 | S | 28.3 | Very low | 34 | Very low | 112 Ų | 112 | 157.8 Ų | 157.8 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | -101.5 | 125 | 174.3 | 171.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 10 | A | 33.8 | Very low | 34.7 | Very low | 92 Ų | 92 | 158.5 Ų | 158.5 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -120.9 | 95.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 11 | T | 33.4 | Very low | 35.4 | Very low | 111 Ų | 111 | 153.7 Ų | 153.7 | 68% | 0.681 | 80% | 0.796 | S | S | * | * | trans | 16 | 124.5 | 141.5 | 51.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 12 | L | 33.1 | Very low | 36.3 | Very low | 162 Ų | 162 | 155.2 Ų | 155.2 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | 69.2 | 96.3 | 130.4 | -63.9 | 165.7 | 0 | 0 | 0 | 118 | ||||
| 13 | C | 31.4 | Very low | 37.6 | Very low | 139 Ų | 139 | 158.2 Ų | 158.2 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | -151.6 | 111.3 | 126.6 | -137.4 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 14 | L | 32.6 | Very low | 38.6 | Very low | 152 Ų | 152 | 153 Ų | 153 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | trans | -82.4 | 146 | 174 | -138.6 | 96.2 | 0 | 0 | 0 | 108.8 | ||||
| 15 | K | 35.1 | Very low | 40 | Very low | 185 Ų | 185 | 152.2 Ų | 152.2 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 86.6 | 95.4 | 169 | -58.2 | -167.7 | 176.6 | -178.8 | 0 | 117 | ||||
| 16 | L | 38.8 | Very low | 41.3 | Very low | 146 Ų | 146 | 154.3 Ų | 154.3 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | -179.3 | 102.6 | 91.2 | -134.6 | 92.1 | 0 | 0 | 0 | 108 | R18 | L16-R18 VanDerWaalsContact C-N 3.31Å; L16-R18 PolarHBondContact O-N 2.81Å | |||
| 17 | Q | 40.8 | Very low | 42.6 | Very low | 194 Ų | 194 | 153.7 Ų | 153.7 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | trans | -66.2 | 96.2 | 163.1 | -112.7 | 172.6 | -42.4 | 0 | 0 | 107.2 | ||||
| 18 | R | 37.7 | Very low | 44.4 | Very low | 201 Ų | 201 | 150 Ų | 150 | 76% | 0.758 | 80% | 0.795 | S | S | * | * | trans | -85.9 | 111.5 | 162 | -159.2 | 168.3 | 178.2 | 127.9 | -3.3 | 105 | L16 Q20 | L16-R18 VanDerWaalsContact C-N 3.31Å; L16-R18 PolarHBondContact O-N 2.81Å; R18-Q20 VanDerWaalsContact C-N 3.25Å; R18-Q20 PolarHBondContact O-N 3.29Å | ||
| 19 | N | 45 | Very low | 46 | Very low | 157 Ų | 157 | 145.6 Ų | 145.6 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | -49.8 | 92.8 | 170.5 | -78.7 | -21.8 | 0 | 0 | 0 | 109.1 | G21 | N19-G21 PolarHBondContact O-N 3.1Š| ||
| 20 | Q | 48.1 | Very low | 47.6 | Very low | 171 Ų | 171 | 151.1 Ų | 151.1 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | -85.7 | 97.9 | 167.1 | -68.5 | -115.4 | -4.6 | 0 | 0 | 104.1 | R18 W22 | R18-Q20 VanDerWaalsContact C-N 3.25Å; R18-Q20 PolarHBondContact O-N 3.29Å; Q20-W22 PolarHBondContact O-N 3.44Å | ||
| 21 | G | 50.4 | Low | 49.1 | Very low | 59 Ų | 59 | 155.7 Ų | 155.7 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | trans | -49 | 140.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110 | N19 L23 | N19-G21 PolarHBondContact O-N 3.1Å; G21-L23 VanDerWaalsContact C-N 3.3Å; G21-L23 PolarHBondContact O-N 3.41Å | ||
| 22 | W | 53.5 | Low | 50.8 | Low | 253 Ų | 253 | 153.6 Ų | 153.6 | 96% | 0.958 | 79% | 0.787 | S | S | * | * | trans | -56.9 | 96.5 | 167.9 | -125 | 52.8 | 0 | 0 | 0 | 107.9 | Q20 P24 | Q20-W22 PolarHBondContact O-N 3.44Å; W22-P24 WeakPolarHBondContact O-CD 2.98Å | ||
| 23 | L | 57.4 | Low | 52.9 | Low | 153 Ų | 153 | 150 Ų | 150 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | trans | -84.6 | 113.9 | 167.3 | -70.9 | 170.3 | 0 | 0 | 0 | 105.6 | G21 L25 | G21-L23 VanDerWaalsContact C-N 3.3Å; G21-L23 PolarHBondContact O-N 3.41Å; L23-L25 PolarHBondContact O-N 2.85Å | ||
| 24 | P | 54.1 | Low | 55.4 | Low | 100 Ų | 100 | 151.9 Ų | 151.9 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | trans | -60.4 | 114.2 | 169.4 | 25.8 | -30.6 | 0 | 0 | 0 | 106.6 | W22 I26 | W22-P24 WeakPolarHBondContact O-CD 2.98Å; P24-I26 PolarHBondContact O-N 3.25Å | ||
| 25 | L | 59.3 | Low | 57.8 | Low | 169 Ų | 169 | 149.5 Ų | 149.5 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | trans | -62.2 | 95.7 | 163.6 | -90.6 | 155.8 | 0 | 0 | 0 | 105.8 | L23 Q27 | L23-L25 PolarHBondContact O-N 2.85Å; L25-Q27 PolarHBondContact O-N 3.33Å | ||
| 26 | I | 62.2 | Low | 60.5 | Low | 153 Ų | 153 | 146.9 Ų | 146.9 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -68.9 | 78.5 | 169.4 | -56.8 | 167.4 | 0 | 0 | 0 | 105.9 | P24 S28 | P24-I26 PolarHBondContact O-N 3.25Å; I26-S28 PolarHBondContact O-N 3.38Å; I26-S28 VanDerWaalsContact O-N 3.09Å | ||
| 27 | Q | 63.6 | Low | 62.9 | Low | 163 Ų | 163 | 142.2 Ų | 142.2 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | trans | -74.8 | 100.4 | 169.9 | -167.5 | 173.3 | -4.3 | 0 | 0 | 106.1 | L25 V29 | L25-Q27 PolarHBondContact O-N 3.33Å; Q27-V29 HydrophobicContact CG-CG2 4.3Å; Q27-V29 PolarHBondContact O-N 3.12Å | ||
| 28 | S | 65.1 | Low | 65.3 | Low | 93 Ų | 93 | 145.6 Ų | 145.6 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | trans | -66.2 | 87.2 | 173.6 | 57.1 | 0 | 0 | 0 | 0 | 109.6 | I26 R30 | I26-S28 PolarHBondContact O-N 3.38Å; I26-S28 VanDerWaalsContact O-N 3.09Å; S28-R30 PolarHBondContact O-N 2.97Å; S28-R30 VanDerWaalsContact O-N 3.12Å | ||
| 29 | V | 63.5 | Low | 67.8 | Low | 92 Ų | 92 | 142 Ų | 142 | 56% | 0.558 | 74% | 0.743 | S | S | * | * | trans | -74.6 | 103.4 | 172.7 | -178.4 | 0 | 0 | 0 | 0 | 107.3 | Q27 H31 | Q27-V29 HydrophobicContact CG-CG2 4.3Å; Q27-V29 PolarHBondContact O-N 3.12Å; V29-H31 PolarHBondContact O-N 2.9Å; V29-H31 VanDerWaalsContact O-N 3.11Å | ||
| 30 | R | 60.5 | Low | 69.9 | Low | 229 Ų | 229 | 144.4 Ų | 144.4 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | trans | -71.9 | 104.6 | 174.8 | -63.9 | -172.4 | -172.5 | -128.1 | 3.7 | 108.8 | S28 G32 | S28-R30 PolarHBondContact O-N 2.97Å; S28-R30 VanDerWaalsContact O-N 3.12Å; R30-G32 VanDerWaalsContact C-N 3.26Å; R30-G32 PolarHBondContact O-N 3.25Å | ||
| 31 | H | 65.3 | Low | 71.7 | Confident | 187 Ų | 187 | 138.9 Ų | 138.9 | 87% | 0.866 | 72% | 0.719 | S | S | * | * | trans | -70.9 | 81.5 | 169.8 | -71.2 | -74.9 | 0 | 0 | 0 | 110.4 | V29 | V29-H31 PolarHBondContact O-N 2.9Å; V29-H31 VanDerWaalsContact O-N 3.11Å | ||
| 32 | G | 69.8 | Low | 73.6 | Confident | 67 Ų | 67 | 142 Ų | 142 | 69% | 0.691 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 142.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R30 | R30-G32 VanDerWaalsContact C-N 3.26Å; R30-G32 PolarHBondContact O-N 3.25Å |
| 33 | S | 77.2 | Confident | 75.4 | Confident | 87 Ų | 87 | 133.6 Ų | 133.6 | 61% | 0.608 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 135.5 | 169.9 | 53.8 | 0 | 0 | 0 | 0 | 110.6 | K41 | S33-K41 PolarHBondContact O-NZ 3.42Å; S33-K41 PolarHBondContact OG-NZ 2.97Å |
| 34 | K | 84.4 | Confident | 77.1 | Confident | 179 Ų | 179 | 132.5 Ų | 132.5 | 78% | 0.778 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 143.4 | 178.5 | -65.7 | -173.5 | 177.3 | -176.3 | 0 | 112.3 | V36 K41 | K34-V36 PolarHBondContact O-N 3.17Å; K34-K41 WeakPolarHBondContact O-CE 3.32Å; K34-K41 PolarHBondContact O-NZ 2.98Å |
| 35 | A | 82.9 | Confident | 79.1 | Confident | 101 Ų | 101 | 134 Ų | 134 | 84% | 0.835 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -48.9 | -38.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 36 | V | 90.4 | Very high | 80.9 | Confident | 131 Ų | 131 | 131.3 Ų | 131.3 | 79% | 0.794 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -102.3 | 128 | 175 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | K34 | K34-V36 PolarHBondContact O-N 3.17Š|
| 37 | T | 89.3 | Confident | 82.4 | Confident | 48 Ų | 48 | 129.6 Ų | 129.6 | 29% | 0.294 | 66% | 0.662 | S | S | . | * | trans | -134.5 | 157.2 | 176 | 45.4 | 0 | 0 | 0 | 0 | 110.6 | H39 K41 | T37-H39 VanDerWaalsContact C-N 3.27Å; T37-H39 PolarHBondContact O-N 2.88Å; T37-H39 PolarHBondContact OG1-O 3.06Å; T37-K41 HydrophobicContact CG2-CD 4.48Å; T37-K41 WeakPolarHBondContact OG1-CE 3.43Å; T37-K41 WeakPolarHBondContact OG1-CG 3.33Å | ||
| 38 | R | 92.1 | Very high | 84 | Confident | 265 Ų | 265 | 127.5 Ų | 127.5 | 100% | 1 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -65.3 | -28.5 | 176.3 | -66 | -174.7 | 178.6 | -158.8 | -0.1 | 113.3 | ||
| 39 | H | 89.9 | Confident | 85.5 | Confident | 124 Ų | 124 | 128.2 Ų | 128.2 | 57% | 0.574 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -101 | 155.3 | 177.1 | 62.1 | -92.4 | 0 | 0 | 0 | 111.5 | T37 K41 | T37-H39 VanDerWaalsContact C-N 3.27Å; T37-H39 PolarHBondContact O-N 2.88Å; T37-H39 PolarHBondContact OG1-O 3.06Å; H39-K41 PolarHBondContact O-N 3.18Å |
| 40 | K | 88.4 | Confident | 87.1 | Confident | 208 Ų | 208 | 129 Ų | 129 | 90% | 0.904 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 117.4 | 172.9 | -70.6 | -175 | -178.6 | 178.2 | 0 | 109.2 | ||
| 41 | K | 87.4 | Confident | 88.8 | Confident | 55 Ų | 55 | 121.9 Ų | 121.9 | 24% | 0.239 | 62% | 0.623 | C | S | . | * | P | Polyproline II helix | trans | -72.3 | 147.1 | 177 | -65.5 | -170.1 | 167.4 | -153.9 | 0 | 111.5 | S33 K34 T37 H39 L43 | S33-K41 PolarHBondContact O-NZ 3.42Å; S33-K41 PolarHBondContact OG-NZ 2.97Å; K34-K41 WeakPolarHBondContact O-CE 3.32Å; K34-K41 PolarHBondContact O-NZ 2.98Å; T37-K41 HydrophobicContact CG2-CD 4.48Å; T37-K41 WeakPolarHBondContact OG1-CE 3.43Å; T37-K41 WeakPolarHBondContact OG1-CG 3.33Å; H39-K41 PolarHBondContact O-N 3.18Å; K41-L43 PolarHBondContact O-N 3.41Å |
| 42 | P | 89.1 | Confident | 90.2 | Very high | 124 Ų | 124 | 116.3 Ų | 116.3 | 81% | 0.805 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -60 | 133.3 | 164.7 | 27.9 | -33.4 | 0 | 0 | 0 | 109 | ||
| 43 | L | 91.6 | Very high | 91.5 | Very high | 77 Ų | 77 | 119.1 Ų | 119.1 | 40% | 0.403 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -84.2 | 148.9 | 177.2 | -61.6 | 168.8 | 0 | 0 | 0 | 109.1 | K41 K47 I51 | K41-L43 PolarHBondContact O-N 3.41Å; L43-K47 HydrophobicContact CB-CB 4.44Å; L43-K47 HydrophobicContact CB-CG 4.5Å; L43-K47 HydrophobicContact CD2-CD 3.78Å; L43-K47 HydrophobicContact CD2-CG 4.33Å; L43-I51 HydrophobicContact CD1-CD1 3.49Å; L43-I51 VanDerWaalsContact CD1-CD1 3.49Å |
| 44 | H | 93.5 | Very high | 92.4 | Very high | 131 Ų | 131 | 119.7 Ų | 119.7 | 61% | 0.606 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 143.5 | 168.7 | -174.4 | -96.2 | 0 | 0 | 0 | 110.1 | L46 K47 Q48 | H44-L46 VanDerWaalsContact C-N 3.27Å; H44-L46 PolarHBondContact ND1-N 3.38Å; H44-L46 PolarHBondContact O-N 3.42Å; H44-L46 VanDerWaalsContact O-N 3.14Å; H44-K47 HydrophobicContact CB-CB 4.49Å; H44-K47 WeakPolarHBondContact O-CA 3.43Å; H44-K47 WeakPolarHBondContact O-CB 3.49Å; H44-K47 PolarHBondContact O-N 3.03Å; H44-Q48 PolarHBondContact O-N 2.99Å |
| 45 | F | 95.9 | Very high | 93 | Very high | 130 Ų | 130 | 120.6 Ų | 120.6 | 57% | 0.57 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -51.8 | -42.5 | -173.8 | -177.4 | -120.7 | 0 | 0 | 0 | 113.4 | K47 Q48 K49 | F45-K47 VanDerWaalsContact C-N 3.35Å; F45-K47 PolarHBondContact O-N 3.14Å; F45-Q48 PolarHBondContact O-N 3.39Å; F45-K49 HydrophobicContact CE1-CD 4.31Å; F45-K49 PolarHBondContact O-N 3.44Å; F45-K49 VanDerWaalsContact O-N 3.07Å |
| 46 | L | 96.9 | Very high | 93.7 | Very high | 114 Ų | 114 | 124.4 Ų | 124.4 | 60% | 0.597 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.3 | -38.2 | 175.8 | -63.7 | 176.4 | 0 | 0 | 0 | 113 | H44 K49 L50 | H44-L46 VanDerWaalsContact C-N 3.27Å; H44-L46 PolarHBondContact ND1-N 3.38Å; H44-L46 PolarHBondContact O-N 3.42Å; H44-L46 VanDerWaalsContact O-N 3.14Å; L46-K49 PolarHBondContact O-N 3.03Å; L46-L50 WeakPolarHBondContact O-CB 3.39Å; L46-L50 PolarHBondContact O-N 3.43Å |
| 47 | K | 94.4 | Very high | 93.8 | Very high | 117 Ų | 117 | 125.3 Ų | 125.3 | 51% | 0.509 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -69.8 | -36.5 | 178.4 | -175.1 | 171 | 179.4 | -176.9 | 0 | 111.2 | L43 H44 F45 L50 I51 | L43-K47 HydrophobicContact CB-CB 4.44Å; L43-K47 HydrophobicContact CB-CG 4.5Å; L43-K47 HydrophobicContact CD2-CD 3.78Å; L43-K47 HydrophobicContact CD2-CG 4.33Å; H44-K47 HydrophobicContact CB-CB 4.49Å; H44-K47 WeakPolarHBondContact O-CA 3.43Å; H44-K47 WeakPolarHBondContact O-CB 3.49Å; H44-K47 PolarHBondContact O-N 3.03Å; F45-K47 VanDerWaalsContact C-N 3.35Å; F45-K47 PolarHBondContact O-N 3.14Å; K47-L50 PolarHBondContact O-N 3.26Å; K47-I51 HydrophobicContact CG-CD1 4.3Å; K47-I51 WeakPolarHBondContact O-CG1 3.38Å; K47-I51 PolarHBondContact O-N 3Å |
| 48 | Q | 96.3 | Very high | 94 | Very high | 119 Ų | 119 | 126.8 Ų | 126.8 | 56% | 0.556 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.9 | -43.3 | 174.1 | -172.3 | 177.7 | -2.6 | 0 | 0 | 111.5 | H44 F45 I51 A52 | H44-Q48 PolarHBondContact O-N 2.99Å; F45-Q48 PolarHBondContact O-N 3.39Å; Q48-I51 PolarHBondContact O-N 2.95Å; Q48-A52 WeakPolarHBondContact O-CB 3.48Å; Q48-A52 PolarHBondContact O-N 3.33Å |
| 49 | K | 97.1 | Very high | 93.9 | Very high | 108 Ų | 108 | 119.3 Ų | 119.3 | 47% | 0.47 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -59.8 | -45.8 | 172.8 | -70.7 | -176.9 | 179.7 | -177.7 | 0 | 111.9 | F45 L46 I51 A52 V53 | F45-K49 HydrophobicContact CE1-CD 4.31Å; F45-K49 PolarHBondContact O-N 3.44Å; F45-K49 VanDerWaalsContact O-N 3.07Å; L46-K49 PolarHBondContact O-N 3.03Å; K49-I51 PolarHBondContact O-N 3.36Å; K49-A52 PolarHBondContact O-N 3.24Å; K49-V53 WeakPolarHBondContact O-CG2 3.48Å; K49-V53 PolarHBondContact O-N 3.38Å |
| 50 | L | 96.9 | Very high | 93.7 | Very high | 107 Ų | 107 | 117.8 Ų | 117.8 | 56% | 0.56 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -58.7 | -48.2 | 179 | -175.4 | 139.1 | 0 | 0 | 0 | 111.3 | L46 K47 A52 V53 T54 | L46-L50 WeakPolarHBondContact O-CB 3.39Å; L46-L50 PolarHBondContact O-N 3.43Å; K47-L50 PolarHBondContact O-N 3.26Å; L50-A52 VanDerWaalsContact C-N 3.31Å; L50-A52 PolarHBondContact O-N 3.23Å; L50-V53 PolarHBondContact O-N 2.88Å; L50-T54 HydrophobicContact CD2-CG2 4.41Å; L50-T54 WeakPolarHBondContact O-CG2 3.44Å; L50-T54 PolarHBondContact O-N 3.19Å; L50-T54 PolarHBondContact O-OG1 3.11Å; L50-T54 VanDerWaalsContact O-OG1 3.06Å |
| 51 | I | 95.7 | Very high | 93.2 | Very high | 81 Ų | 81 | 117.7 Ų | 117.7 | 42% | 0.415 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.6 | -38.2 | 177.8 | -68.3 | 173.5 | 0 | 0 | 0 | 112.1 | L43 K47 Q48 K49 T54 R55 | L43-I51 HydrophobicContact CD1-CD1 3.49Å; L43-I51 VanDerWaalsContact CD1-CD1 3.49Å; K47-I51 HydrophobicContact CG-CD1 4.3Å; K47-I51 WeakPolarHBondContact O-CG1 3.38Å; K47-I51 PolarHBondContact O-N 3Å; Q48-I51 PolarHBondContact O-N 2.95Å; K49-I51 PolarHBondContact O-N 3.36Å; I51-T54 WeakPolarHBondContact CA-OG1 3.34Å; I51-T54 PolarHBondContact O-N 3.47Å; I51-T54 PolarHBondContact O-OG1 3.26Å; I51-R55 PolarHBondContact O-N 3.21Å |
| 52 | A | 95.4 | Very high | 92.8 | Very high | 70 Ų | 70 | 121.8 Ų | 121.8 | 58% | 0.579 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.3 | -39.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q48 K49 L50 R55 | Q48-A52 WeakPolarHBondContact O-CB 3.48Å; Q48-A52 PolarHBondContact O-N 3.33Å; K49-A52 PolarHBondContact O-N 3.24Å; L50-A52 VanDerWaalsContact C-N 3.31Å; L50-A52 PolarHBondContact O-N 3.23Å; A52-R55 WeakPolarHBondContact O-CB 3.32Å |
| 53 | V | 97 | Very high | 92.3 | Very high | 126 Ų | 126 | 118.6 Ų | 118.6 | 76% | 0.764 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70.6 | -40 | 177 | 173 | 0 | 0 | 0 | 0 | 111.5 | K49 L50 R55 | K49-V53 WeakPolarHBondContact O-CG2 3.48Å; K49-V53 PolarHBondContact O-N 3.38Å; L50-V53 PolarHBondContact O-N 2.88Å; V53-R55 PolarHBondContact O-N 3.39Å |
| 54 | T | 96.3 | Very high | 91.8 | Very high | 98 Ų | 98 | 119 Ų | 119 | 60% | 0.601 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | 13.5 | -179.8 | 61.8 | 0 | 0 | 0 | 0 | 113.4 | L50 I51 Y56 | L50-T54 HydrophobicContact CD2-CG2 4.41Å; L50-T54 WeakPolarHBondContact O-CG2 3.44Å; L50-T54 PolarHBondContact O-N 3.19Å; L50-T54 PolarHBondContact O-OG1 3.11Å; L50-T54 VanDerWaalsContact O-OG1 3.06Å; I51-T54 WeakPolarHBondContact CA-OG1 3.34Å; I51-T54 PolarHBondContact O-N 3.47Å; I51-T54 PolarHBondContact O-OG1 3.26Å; T54-Y56 PolarHBondContact O-N 2.94Å |
| 55 | R | 96.5 | Very high | 91 | Very high | 198 Ų | 198 | 118.3 Ų | 118.3 | 75% | 0.747 | 62% | 0.622 | S | S | * | * | trans | -68.4 | 128 | 177.3 | -172.2 | 176 | -178.4 | 171.6 | 0 | 109.1 | I51 A52 V53 I57 | I51-R55 PolarHBondContact O-N 3.21Å; A52-R55 WeakPolarHBondContact O-CB 3.32Å; V53-R55 PolarHBondContact O-N 3.39Å; R55-I57 PolarHBondContact O-N 3.25Å | ||
| 56 | Y | 96.7 | Very high | 90 | Very high | 182 Ų | 182 | 115.7 Ų | 115.7 | 71% | 0.714 | 63% | 0.632 | S | S | * | * | trans | -60.6 | 126 | 177.3 | 176.2 | -110.3 | 0 | 0 | 0 | 111.1 | T54 P58 | T54-Y56 PolarHBondContact O-N 2.94Å; Y56-P58 HydrophobicContact CE1-CB 3.8Å; Y56-P58 HydrophobicContact CE1-CG 4.45Å | ||
| 57 | I | 93.9 | Very high | 89.2 | Confident | 149 Ų | 149 | 114.8 Ų | 114.8 | 76% | 0.764 | 63% | 0.631 | S | S | * | * | trans | -109.2 | 109.7 | 172.5 | -61.6 | 168.3 | 0 | 0 | 0 | 106.1 | R55 | R55-I57 PolarHBondContact O-N 3.25Š| ||
| 58 | P | 92.1 | Very high | 88.3 | Confident | 80 Ų | 80 | 117.3 Ų | 117.3 | 52% | 0.519 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -64 | 149.7 | 174.5 | 27.5 | -33.1 | 0 | 0 | 0 | 109.8 | Y56 A60 | Y56-P58 HydrophobicContact CE1-CB 3.8Å; Y56-P58 HydrophobicContact CE1-CG 4.45Å; P58-A60 PolarHBondContact O-N 3.45Å |
| 59 | P | 91 | Very high | 87.1 | Confident | 107 Ų | 107 | 118.1 Ų | 118.1 | 70% | 0.695 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 130.2 | 175.2 | 25.4 | -33.6 | 0 | 0 | 0 | 109.3 | R61 | P59-R61 PolarHBondContact O-N 3.4Š|
| 60 | A | 84.8 | Confident | 85.8 | Confident | 93 Ų | 93 | 117.3 Ų | 117.3 | 77% | 0.769 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 125.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | P58 T62 | P58-A60 PolarHBondContact O-N 3.45Å; A60-T62 PolarHBondContact O-N 3Å |
| 61 | R | 78.1 | Confident | 84.4 | Confident | 206 Ų | 206 | 121.1 Ų | 121.1 | 78% | 0.777 | 68% | 0.675 | S | S | * | * | trans | -74.1 | 112.6 | 168.8 | -64.1 | -177.2 | -177.8 | -174 | -0.2 | 106.7 | P59 I63 | P59-R61 PolarHBondContact O-N 3.4Å; R61-I63 PolarHBondContact O-N 2.79Å; R61-I63 VanDerWaalsContact O-N 3.14Å | ||
| 62 | T | 78.9 | Confident | 82.8 | Confident | 140 Ų | 140 | 126.4 Ų | 126.4 | 86% | 0.859 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -59.2 | -24 | 175.6 | -46.8 | 0 | 0 | 0 | 0 | 111.8 | A60 | A60-T62 PolarHBondContact O-N 3Š|
| 63 | I | 79.6 | Confident | 81.1 | Confident | 58 Ų | 58 | 131.7 Ų | 131.7 | 30% | 0.297 | 71% | 0.705 | S | S | . | * | S | Bend | trans | -128.3 | 130.6 | -170.3 | -59.9 | 167.8 | 0 | 0 | 0 | 109 | R61 V67 Y68 | R61-I63 PolarHBondContact O-N 2.79Å; R61-I63 VanDerWaalsContact O-N 3.14Å; I63-V67 HydrophobicContact CG2-CB 3.48Å; I63-V67 VanDerWaalsContact CG2-CB 3.48Å; I63-V67 HydrophobicContact CG2-CG1 3.86Å; I63-V67 HydrophobicContact CG2-CG2 3.78Å; I63-Y68 HydrophobicContact CB-CE2 4.3Å; I63-Y68 HydrophobicContact CD1-CE2 3.41Å; I63-Y68 VanDerWaalsContact CD1-CE2 3.41Å; I63-Y68 VanDerWaalsContact CD1-CZ 3.47Å; I63-Y68 WeakPolarHBondContact CD1-OH 3.26Å; I63-Y68 HydrophobicContact CG1-CE2 4.44Å; I63-Y68 HydrophobicContact CG2-CD2 4.28Å; I63-Y68 HydrophobicContact CG2-CE2 3.97Å |
| 64 | P | 80.7 | Confident | 79.3 | Confident | 86 Ų | 86 | 134 Ų | 134 | 56% | 0.558 | 71% | 0.707 | S | S | * | * | trans | -66.2 | 150.7 | 178.9 | 21.2 | -25.5 | 0 | 0 | 0 | 111.5 | G66 V67 | P64-G66 PolarHBondContact O-N 3.19Å; P64-V67 HydrophobicContact CG-CG2 3.6Å; P64-V67 PolarHBondContact O-N 3.34Å | ||
| 65 | P | 77.5 | Confident | 77.6 | Confident | 115 Ų | 115 | 135.9 Ų | 135.9 | 75% | 0.747 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | 125.7 | 176.8 | 25.4 | -32.5 | 0 | 0 | 0 | 110.1 | ||
| 66 | G | 74.3 | Confident | 76.2 | Confident | 76 Ų | 76 | 134.3 Ų | 134.3 | 78% | 0.784 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 108.7 | -6.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | P64 | P64-G66 PolarHBondContact O-N 3.19Š|
| 67 | V | 79.1 | Confident | 74.8 | Confident | 95 Ų | 95 | 134.1 Ų | 134.1 | 58% | 0.576 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -73.8 | -34.5 | 176.6 | 177.9 | 0 | 0 | 0 | 0 | 112.2 | I63 P64 | I63-V67 HydrophobicContact CG2-CB 3.48Å; I63-V67 VanDerWaalsContact CG2-CB 3.48Å; I63-V67 HydrophobicContact CG2-CG1 3.86Å; I63-V67 HydrophobicContact CG2-CG2 3.78Å; P64-V67 HydrophobicContact CG-CG2 3.6Å; P64-V67 PolarHBondContact O-N 3.34Å |
| 68 | Y | 75.7 | Confident | 73.5 | Confident | 170 Ų | 170 | 131.9 Ų | 131.9 | 67% | 0.667 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -84.2 | 138.4 | 170 | -65.9 | -67.8 | 0 | 0 | 0 | 110 | I63 S70 | I63-Y68 HydrophobicContact CB-CE2 4.3Å; I63-Y68 HydrophobicContact CD1-CE2 3.41Å; I63-Y68 VanDerWaalsContact CD1-CE2 3.41Å; I63-Y68 VanDerWaalsContact CD1-CZ 3.47Å; I63-Y68 WeakPolarHBondContact CD1-OH 3.26Å; I63-Y68 HydrophobicContact CG1-CE2 4.44Å; I63-Y68 HydrophobicContact CG2-CD2 4.28Å; I63-Y68 HydrophobicContact CG2-CE2 3.97Å; Y68-S70 PolarHBondContact O-N 3.49Å; Y68-S70 VanDerWaalsContact O-N 3.1Å |
| 69 | T | 71.6 | Confident | 73.2 | Confident | 135 Ų | 135 | 133 Ų | 133 | 83% | 0.828 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 117.5 | 161.2 | 51.4 | 0 | 0 | 0 | 0 | 107.4 | E71 | T69-E71 PolarHBondContact O-N 3.4Š|
| 70 | S | 70.8 | Confident | 73 | Confident | 92 Ų | 92 | 136.1 Ų | 136.1 | 64% | 0.643 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 128.5 | 173.6 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | Y68 K72 | Y68-S70 PolarHBondContact O-N 3.49Å; Y68-S70 VanDerWaalsContact O-N 3.1Å; S70-K72 PolarHBondContact O-N 3.44Å |
| 71 | E | 67.5 | Low | 73.3 | Confident | 186 Ų | 186 | 138.2 Ų | 138.2 | 87% | 0.869 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -46 | 122.9 | 169.4 | -75.4 | -179.3 | 174.8 | 0 | 0 | 106.9 | T69 K73 | T69-E71 PolarHBondContact O-N 3.4Å; E71-K73 PolarHBondContact O-N 2.79Å |
| 72 | K | 60.9 | Low | 73.8 | Confident | 192 Ų | 192 | 130.2 Ų | 130.2 | 84% | 0.835 | 69% | 0.686 | S | S | * | * | trans | -44.5 | 117 | -163.1 | -65.7 | 173.2 | -179 | 176.5 | 0 | 107.7 | S70 H74 | S70-K72 PolarHBondContact O-N 3.44Å; K72-H74 PolarHBondContact O-N 2.88Å | ||
| 73 | K | 61 | Low | 74.4 | Confident | 182 Ų | 182 | 127.1 Ų | 127.1 | 79% | 0.791 | 66% | 0.663 | S | S | * | * | trans | -44 | 118.8 | 166.4 | -67.1 | 178.5 | -179.8 | 178.4 | 0 | 104.9 | E71 V75 | E71-K73 PolarHBondContact O-N 2.79Å; K73-V75 PolarHBondContact O-N 3.05Å; K73-V75 VanDerWaalsContact O-N 3.1Å | ||
| 74 | H | 58.5 | Low | 75 | Confident | 175 Ų | 175 | 128.2 Ų | 128.2 | 81% | 0.81 | 67% | 0.669 | S | S | * | * | trans | -37.6 | 125.8 | 178.8 | -87.1 | -94.2 | 0 | 0 | 0 | 107.6 | K72 Q76 | K72-H74 PolarHBondContact O-N 2.88Å; H74-Q76 PolarHBondContact O-N 3.5Å | ||
| 75 | V | 60.6 | Low | 75.7 | Confident | 136 Ų | 136 | 125 Ų | 125 | 82% | 0.824 | 65% | 0.647 | S | S | * | * | trans | -55.1 | 98.2 | 176.6 | 179.8 | 0 | 0 | 0 | 0 | 104.7 | K73 E77 | K73-V75 PolarHBondContact O-N 3.05Å; K73-V75 VanDerWaalsContact O-N 3.1Å; V75-E77 PolarHBondContact O-N 2.85Å | ||
| 76 | Q | 66.1 | Low | 76.3 | Confident | 166 Ų | 166 | 121.3 Ų | 121.3 | 78% | 0.776 | 62% | 0.619 | S | S | * | * | trans | -64.8 | 112.6 | -179.6 | -79 | 177.2 | -4.2 | 0 | 0 | 103.6 | H74 D78 | H74-Q76 PolarHBondContact O-N 3.5Å; Q76-D78 PolarHBondContact O-N 3.3Å | ||
| 77 | E | 68.2 | Low | 77.2 | Confident | 177 Ų | 177 | 124 Ų | 124 | 83% | 0.827 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 139.3 | 172.5 | -65.7 | 173.1 | 170.7 | 0 | 0 | 107.8 | V75 N79 | V75-E77 PolarHBondContact O-N 2.85Å; E77-N79 PolarHBondContact O-N 3.2Å |
| 78 | D | 67.1 | Low | 77.9 | Confident | 103 Ų | 103 | 124.3 Ų | 124.3 | 55% | 0.551 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 117.5 | 179.8 | -82.4 | -20.5 | 0 | 0 | 0 | 108.4 | Q76 E80 L83 | Q76-D78 PolarHBondContact O-N 3.3Å; D78-E80 PolarHBondContact O-N 2.76Å; D78-E80 VanDerWaalsContact O-N 3.11Å; D78-L83 HydrophobicContact CB-CD2 4.37Å; D78-L83 HydrophobicContact CB-CG 4.43Å |
| 79 | N | 84.6 | Confident | 78.7 | Confident | 103 Ų | 103 | 116.2 Ų | 116.2 | 55% | 0.551 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 124.4 | 178.8 | -69.3 | -47.4 | 0 | 0 | 0 | 109.3 | E77 F81 I82 L83 | E77-N79 PolarHBondContact O-N 3.2Å; N79-F81 PolarHBondContact O-N 3.24Å; N79-I82 HydrophobicContact CB-CD1 3.91Å; N79-I82 HydrophobicContact CB-CG1 4.02Å; N79-I82 WeakPolarHBondContact O-CA 3.29Å; N79-I82 WeakPolarHBondContact O-CB 3.36Å; N79-I82 PolarHBondContact O-N 3.49Å; N79-L83 PolarHBondContact O-N 3.01Å |
| 80 | E | 88 | Confident | 79.7 | Confident | 173 Ų | 173 | 114 Ų | 114 | 81% | 0.808 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -53.4 | -33.1 | -175.9 | -62.9 | 179.7 | 165.4 | 0 | 0 | 112.6 | D78 I82 L83 L84 | D78-E80 PolarHBondContact O-N 2.76Å; D78-E80 VanDerWaalsContact O-N 3.11Å; E80-I82 VanDerWaalsContact C-N 3.34Å; E80-I82 PolarHBondContact O-N 3.49Å; E80-L83 WeakPolarHBondContact O-CB 3.28Å; E80-L83 PolarHBondContact O-N 3.27Å; E80-L84 PolarHBondContact O-N 3.03Å |
| 81 | F | 90.2 | Very high | 80.8 | Confident | 137 Ų | 137 | 114.7 Ų | 114.7 | 60% | 0.601 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.5 | -37.7 | 174.7 | -179.6 | -112.2 | 0 | 0 | 0 | 113.4 | N79 L83 L84 L85 | N79-F81 PolarHBondContact O-N 3.24Å; F81-L83 VanDerWaalsContact C-N 3.31Å; F81-L84 PolarHBondContact O-N 2.86Å; F81-L85 HydrophobicContact CD1-CD1 3.9Å; F81-L85 HydrophobicContact CD1-CG 4.35Å; F81-L85 HydrophobicContact CE1-CD1 3.39Å; F81-L85 HydrophobicContact CE1-CD2 4.5Å; F81-L85 HydrophobicContact CE1-CG 3.97Å; F81-L85 HydrophobicContact CE2-CD2 4.37Å; F81-L85 HydrophobicContact CE2-CG 4.26Å; F81-L85 HydrophobicContact CZ-CD1 3.76Å; F81-L85 HydrophobicContact CZ-CD2 4.01Å; F81-L85 HydrophobicContact CZ-CG 3.91Å; F81-L85 WeakPolarHBondContact O-CG 3.42Å; F81-L85 PolarHBondContact O-N 3.21Å |
| 82 | I | 89.8 | Confident | 82 | Confident | 38 Ų | 38 | 106.7 Ų | 106.7 | 20% | 0.195 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 176.1 | -66 | 174.1 | 0 | 0 | 0 | 109.8 | N79 E80 L85 K86 V133 | N79-I82 HydrophobicContact CB-CD1 3.91Å; N79-I82 HydrophobicContact CB-CG1 4.02Å; N79-I82 WeakPolarHBondContact O-CA 3.29Å; N79-I82 WeakPolarHBondContact O-CB 3.36Å; N79-I82 PolarHBondContact O-N 3.49Å; E80-I82 VanDerWaalsContact C-N 3.34Å; E80-I82 PolarHBondContact O-N 3.49Å; I82-L85 PolarHBondContact O-N 3.07Å; I82-K86 HydrophobicContact CG2-CD 4.41Å; I82-K86 WeakPolarHBondContact O-CG 3.27Å; I82-K86 PolarHBondContact O-N 3.3Å; I82-V133 HydrophobicContact CG1-CG2 4.32Å; I82-V133 HydrophobicContact CG2-CG1 4.31Å; I82-V133 HydrophobicContact CG2-CG2 4.04Å |
| 83 | L | 89.8 | Confident | 83.4 | Confident | 75 Ų | 75 | 98.2 Ų | 98.2 | 39% | 0.393 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 175.5 | -62.1 | 177.1 | 0 | 0 | 0 | 111.3 | D78 N79 E80 F81 L85 K86 K87 | D78-L83 HydrophobicContact CB-CD2 4.37Å; D78-L83 HydrophobicContact CB-CG 4.43Å; N79-L83 PolarHBondContact O-N 3.01Å; E80-L83 WeakPolarHBondContact O-CB 3.28Å; E80-L83 PolarHBondContact O-N 3.27Å; F81-L83 VanDerWaalsContact C-N 3.31Å; L83-L85 VanDerWaalsContact C-N 3.33Å; L83-L85 PolarHBondContact O-N 3.45Å; L83-K86 HydrophobicContact CD2-CD 4.49Å; L83-K86 PolarHBondContact O-N 2.88Å; L83-K87 WeakPolarHBondContact O-CG 3.24Å; L83-K87 PolarHBondContact O-N 3.1Å |
| 84 | L | 93.9 | Very high | 84.9 | Confident | 80 Ų | 80 | 97.4 Ų | 97.4 | 42% | 0.419 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 174.9 | -179.1 | 143.9 | 0 | 0 | 0 | 112.2 | E80 F81 K87 K88 | E80-L84 PolarHBondContact O-N 3.03Å; F81-L84 PolarHBondContact O-N 2.86Å; L84-K87 PolarHBondContact O-N 2.77Å; L84-K88 HydrophobicContact CD2-CD 3.96Å; L84-K88 WeakPolarHBondContact O-CG 3.41Å; L84-K88 PolarHBondContact O-N 3.44Å |
| 85 | L | 93.4 | Very high | 86.4 | Confident | 18 Ų | 18 | 94.6 Ų | 94.6 | 9% | 0.094 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 174.4 | -73.3 | 178.6 | 0 | 0 | 0 | 112.4 | F81 I82 L83 K88 L89 F129 P130 V133 | F81-L85 HydrophobicContact CD1-CD1 3.9Å; F81-L85 HydrophobicContact CD1-CG 4.35Å; F81-L85 HydrophobicContact CE1-CD1 3.39Å; F81-L85 HydrophobicContact CE1-CD2 4.5Å; F81-L85 HydrophobicContact CE1-CG 3.97Å; F81-L85 HydrophobicContact CE2-CD2 4.37Å; F81-L85 HydrophobicContact CE2-CG 4.26Å; F81-L85 HydrophobicContact CZ-CD1 3.76Å; F81-L85 HydrophobicContact CZ-CD2 4.01Å; F81-L85 HydrophobicContact CZ-CG 3.91Å; F81-L85 WeakPolarHBondContact O-CG 3.42Å; F81-L85 PolarHBondContact O-N 3.21Å; I82-L85 PolarHBondContact O-N 3.07Å; L83-L85 VanDerWaalsContact C-N 3.33Å; L83-L85 PolarHBondContact O-N 3.45Å; L85-K88 PolarHBondContact O-N 2.97Å; L85-L89 WeakPolarHBondContact O-CG 3.3Å; L85-L89 PolarHBondContact O-N 3.25Å; L85-F129 HydrophobicContact CD2-CD1 4.46Å; L85-P130 HydrophobicContact CD1-CG 4.26Å; L85-V133 HydrophobicContact CB-CG1 3.92Å; L85-V133 HydrophobicContact CD1-CG2 4.18Å |
| 86 | K | 91.9 | Very high | 87.9 | Confident | 38 Ų | 38 | 89 Ų | 89 | 17% | 0.165 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 174.1 | -73.9 | 175.7 | 179.1 | 175.9 | 0 | 111.2 | I82 L83 K88 L89 E90 V133 | I82-K86 HydrophobicContact CG2-CD 4.41Å; I82-K86 WeakPolarHBondContact O-CG 3.27Å; I82-K86 PolarHBondContact O-N 3.3Å; L83-K86 HydrophobicContact CD2-CD 4.49Å; L83-K86 PolarHBondContact O-N 2.88Å; K86-K88 PolarHBondContact O-N 3Å; K86-L89 WeakPolarHBondContact O-CA 3.26Å; K86-L89 WeakPolarHBondContact O-CB 3.44Å; K86-L89 PolarHBondContact O-N 3.41Å; K86-L89 VanDerWaalsContact O-N 3.08Å; K86-E90 WeakPolarHBondContact O-CG 3.28Å; K86-E90 PolarHBondContact O-N 2.78Å; K86-V133 HydrophobicContact CG-CG1 3.87Å |
| 87 | K | 93 | Very high | 89.1 | Confident | 134 Ų | 134 | 87.2 Ų | 87.2 | 58% | 0.583 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -59.4 | -45.1 | 175.1 | -70 | 179.9 | 179.7 | -175.4 | 0 | 112.5 | L83 L84 L89 E90 E91 | L83-K87 WeakPolarHBondContact O-CG 3.24Å; L83-K87 PolarHBondContact O-N 3.1Å; L84-K87 PolarHBondContact O-N 2.77Å; K87-L89 PolarHBondContact O-N 2.95Å; K87-E90 WeakPolarHBondContact O-CB 3.28Å; K87-E90 PolarHBondContact O-N 3.49Å; K87-E91 WeakPolarHBondContact O-CG 3.35Å; K87-E91 PolarHBondContact O-N 3.45Å |
| 88 | K | 93.6 | Very high | 90.3 | Very high | 100 Ų | 100 | 78.8 Ų | 78.8 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.5 | -31.5 | 175.2 | -73.9 | -176.8 | 178 | 177.7 | 0 | 113 | L84 L85 K86 V92 | L84-K88 HydrophobicContact CD2-CD 3.96Å; L84-K88 WeakPolarHBondContact O-CG 3.41Å; L84-K88 PolarHBondContact O-N 3.44Å; L85-K88 PolarHBondContact O-N 2.97Å; K86-K88 PolarHBondContact O-N 3Å; K88-V92 WeakPolarHBondContact O-CB 3.43Å; K88-V92 WeakPolarHBondContact O-CG2 3.48Å; K88-V92 PolarHBondContact O-N 3.3Å; K88-V92 VanDerWaalsContact O-N 3.1Å |
| 89 | L | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.5 | -45.5 | 174 | -80.1 | 169.7 | 0 | 0 | 0 | 110.9 | L85 K86 K87 E91 V92 F93 F129 V133 M134 F137 | L85-L89 WeakPolarHBondContact O-CG 3.3Å; L85-L89 PolarHBondContact O-N 3.25Å; K86-L89 WeakPolarHBondContact O-CA 3.26Å; K86-L89 WeakPolarHBondContact O-CB 3.44Å; K86-L89 PolarHBondContact O-N 3.41Å; K86-L89 VanDerWaalsContact O-N 3.08Å; K87-L89 PolarHBondContact O-N 2.95Å; L89-E91 VanDerWaalsContact C-N 3.34Å; L89-E91 PolarHBondContact O-N 3.36Å; L89-V92 PolarHBondContact O-N 3.37Å; L89-V92 VanDerWaalsContact O-N 3.13Å; L89-F93 HydrophobicContact CD2-CE2 4.34Å; L89-F93 VanDerWaalsContact O-CD2 3.28Å; L89-F93 WeakPolarHBondContact O-CD2 3.44Å; L89-F93 PolarHBondContact O-N 2.66Å; L89-F129 HydrophobicContact CD1-CD1 4.2Å; L89-F129 HydrophobicContact CD1-CG 4.45Å; L89-F129 HydrophobicContact CD2-CB 4.33Å; L89-F129 HydrophobicContact CD2-CD1 3.68Å; L89-F129 HydrophobicContact CD2-CD2 3.49Å; L89-F129 VanDerWaalsContact CD2-CD2 3.49Å; L89-F129 HydrophobicContact CD2-CE1 3.68Å; L89-F129 HydrophobicContact CD2-CE2 3.46Å; L89-F129 VanDerWaalsContact CD2-CE2 3.46Å; L89-F129 HydrophobicContact CD2-CG 3.57Å; L89-F129 HydrophobicContact CD2-CZ 3.56Å; L89-F129 HydrophobicContact CG-CD1 3.79Å; L89-F129 HydrophobicContact CG-CD2 4.49Å; L89-F129 HydrophobicContact CG-CE1 3.76Å; L89-F129 HydrophobicContact CG-CE2 4.44Å; L89-F129 HydrophobicContact CG-CG 4.16Å; L89-F129 HydrophobicContact CG-CZ 4.09Å; L89-V133 HydrophobicContact CD1-CG1 3.98Å; L89-M134 HydrophobicContact CD1-CG 4.32Å; L89-M134 HydrophobicContact CD1-SD 3.45Å; L89-M134 WeakPolarHBondContact CD1-SD 3.47Å; L89-M134 HydrophobicContact CD2-SD 3.28Å; L89-M134 WeakPolarHBondContact CD2-SD 3.5Å; L89-M134 HydrophobicContact CG-SD 3.97Å; L89-F137 HydrophobicContact CB-CD1 4.41Å; L89-F137 HydrophobicContact CB-CG 4.39Å; L89-F137 HydrophobicContact CD1-CB 4.33Å |
| 90 | E | 92.1 | Very high | 92.1 | Very high | 90 Ų | 90 | 69.2 Ų | 69.2 | 42% | 0.421 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -52.7 | -52.3 | 173.3 | -72.7 | 162.3 | -174.1 | 0 | 0 | 110.7 | K86 K87 V92 F93 E94 F137 | K86-E90 WeakPolarHBondContact O-CG 3.28Å; K86-E90 PolarHBondContact O-N 2.78Å; K87-E90 WeakPolarHBondContact O-CB 3.28Å; K87-E90 PolarHBondContact O-N 3.49Å; E90-V92 VanDerWaalsContact C-N 3.32Å; E90-V92 PolarHBondContact O-N 3.21Å; E90-F93 PolarHBondContact O-N 3.38Å; E90-F93 VanDerWaalsContact O-N 3.13Å; E90-E94 WeakPolarHBondContact O-CG 3.36Å; E90-E94 PolarHBondContact O-N 3.42Å; E90-F137 HydrophobicContact CB-CE2 4.46Å; E90-F137 HydrophobicContact CG-CD2 4.12Å; E90-F137 HydrophobicContact CG-CE2 3.42Å; E90-F137 VanDerWaalsContact CG-CE2 3.42Å; E90-F137 HydrophobicContact CG-CZ 4.24Å |
| 91 | E | 93.6 | Very high | 92.5 | Very high | 105 Ų | 105 | 61 Ų | 61 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -55.1 | -44.7 | 175.9 | -69.5 | 167.8 | -171.9 | 0 | 0 | 112.4 | K87 L89 F93 E94 E95 | K87-E91 WeakPolarHBondContact O-CG 3.35Å; K87-E91 PolarHBondContact O-N 3.45Å; L89-E91 VanDerWaalsContact C-N 3.34Å; L89-E91 PolarHBondContact O-N 3.36Å; E91-F93 PolarHBondContact O-N 3.47Å; E91-E94 PolarHBondContact O-N 3.05Å; E91-E95 WeakPolarHBondContact O-CB 3.48Å; E91-E95 WeakPolarHBondContact O-CG 3.37Å; E91-E95 PolarHBondContact O-N 3.09Å |
| 92 | V | 92.8 | Very high | 92.7 | Very high | 19 Ų | 19 | 54.4 Ų | 54.4 | 12% | 0.115 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 179.3 | 162.6 | 0 | 0 | 0 | 0 | 111.7 | K88 L89 E90 C96 F129 V158 | K88-V92 WeakPolarHBondContact O-CB 3.43Å; K88-V92 WeakPolarHBondContact O-CG2 3.48Å; K88-V92 PolarHBondContact O-N 3.3Å; K88-V92 VanDerWaalsContact O-N 3.1Å; L89-V92 PolarHBondContact O-N 3.37Å; L89-V92 VanDerWaalsContact O-N 3.13Å; E90-V92 VanDerWaalsContact C-N 3.32Å; E90-V92 PolarHBondContact O-N 3.21Å; V92-C96 WeakPolarHBondContact O-CB 3.48Å; V92-C96 PolarHBondContact O-N 2.96Å; V92-C96 PolarHBondContact O-SG 3.48Å; V92-F129 HydrophobicContact CG2-CZ 4.43Å; V92-V158 HydrophobicContact CG1-CG1 3.76Å; V92-V158 HydrophobicContact CG1-CG2 4.02Å |
| 93 | F | 90.9 | Very high | 92.8 | Very high | 13 Ų | 13 | 55.6 Ų | 55.6 | 6% | 0.057 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.8 | -29.6 | -179.9 | -88.4 | -99.6 | 0 | 0 | 0 | 112.8 | L89 E90 E91 I99 M134 F137 L138 Y143 M146 | L89-F93 HydrophobicContact CD2-CE2 4.34Å; L89-F93 VanDerWaalsContact O-CD2 3.28Å; L89-F93 WeakPolarHBondContact O-CD2 3.44Å; L89-F93 PolarHBondContact O-N 2.66Å; E90-F93 PolarHBondContact O-N 3.38Å; E90-F93 VanDerWaalsContact O-N 3.13Å; E91-F93 PolarHBondContact O-N 3.47Å; F93-I99 HydrophobicContact CB-CD1 4.39Å; F93-I99 HydrophobicContact CD1-CD1 3.27Å; F93-I99 HydrophobicContact CD2-CD1 4.05Å; F93-I99 HydrophobicContact CE1-CD1 3.41Å; F93-I99 VanDerWaalsContact CE1-CD1 3.41Å; F93-I99 HydrophobicContact CE2-CD1 4.15Å; F93-I99 HydrophobicContact CG-CD1 3.65Å; F93-I99 HydrophobicContact CZ-CD1 3.86Å; F93-M134 HydrophobicContact CE2-CE 3.91Å; F93-M134 HydrophobicContact CE2-SD 4.39Å; F93-M134 HydrophobicContact CZ-CE 3.89Å; F93-F137 HydrophobicContact CB-CZ 4.36Å; F93-F137 HydrophobicContact CD1-CE1 4.25Å; F93-F137 HydrophobicContact CD2-CD1 4.48Å; F93-F137 AromaticContact CD2-CE1 3.6Å; F93-F137 HydrophobicContact CD2-CE1 3.6Å; F93-F137 HydrophobicContact CD2-CZ 4.16Å; F93-F137 HydrophobicContact CE1-CE1 4.31Å; F93-F137 HydrophobicContact CE2-CD1 4.25Å; F93-F137 AromaticContact CE2-CE1 3.7Å; F93-F137 HydrophobicContact CE2-CE1 3.7Å; F93-F137 AromaticContact CG-CE1 3.88Å; F93-F137 HydrophobicContact CG-CE1 3.88Å; F93-F137 HydrophobicContact CG-CZ 4.18Å; F93-F137 HydrophobicContact CZ-CE1 4.06Å; F93-L138 HydrophobicContact CZ-CD2 4.38Å; F93-Y143 AromaticContact CD1-CD2 3.64Å; F93-Y143 HydrophobicContact CD1-CD2 3.64Å; F93-Y143 AromaticContact CD1-CE2 3.39Å; F93-Y143 HydrophobicContact CD1-CE2 3.39Å; F93-Y143 HydrophobicContact CD1-CG 4.34Å; F93-Y143 AromaticContact CD1-CZ 3.92Å; F93-Y143 AromaticContact CE1-CD2 3.71Å; F93-Y143 HydrophobicContact CE1-CD2 3.71Å; F93-Y143 AromaticContact CE1-CE2 3.94Å; F93-Y143 HydrophobicContact CE1-CE2 3.94Å; F93-Y143 HydrophobicContact CE1-CG 4.05Å; F93-Y143 HydrophobicContact CG-CE2 4.32Å; F93-M146 HydrophobicContact CE1-CE 3.48Å; F93-M146 VanDerWaalsContact CE1-CE 3.48Å; F93-M146 HydrophobicContact CZ-CE 3.84Å |
| 94 | E | 90.8 | Very high | 92.9 | Very high | 165 Ų | 165 | 53 Ų | 53 | 77% | 0.771 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -76.9 | -43.8 | 175 | -71.9 | 179.2 | -179.3 | 0 | 0 | 112.5 | E90 E91 C96 | E90-E94 WeakPolarHBondContact O-CG 3.36Å; E90-E94 PolarHBondContact O-N 3.42Å; E91-E94 PolarHBondContact O-N 3.05Å; E94-C96 VanDerWaalsContact C-N 3.32Å; E94-C96 PolarHBondContact O-N 3.33Å |
| 95 | E | 91.8 | Very high | 92.7 | Very high | 117 Ų | 117 | 52.3 Ų | 52.3 | 55% | 0.547 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -72.1 | -26.8 | -178.2 | -73.9 | -173.4 | -175.9 | 0 | 0 | 113.3 | E91 | E91-E95 WeakPolarHBondContact O-CB 3.48Å; E91-E95 WeakPolarHBondContact O-CG 3.37Å; E91-E95 PolarHBondContact O-N 3.09Å |
| 96 | C | 91.9 | Very high | 92.4 | Very high | 17 Ų | 17 | 57.7 Ų | 57.7 | 12% | 0.115 | 28% | 0.281 | C | S | . | . | trans | -115.9 | 118.2 | -164.4 | -55.6 | 0 | 0 | 0 | 0 | 112 | V92 E94 M98 V158 S159 | V92-C96 WeakPolarHBondContact O-CB 3.48Å; V92-C96 PolarHBondContact O-N 2.96Å; V92-C96 PolarHBondContact O-SG 3.48Å; E94-C96 VanDerWaalsContact C-N 3.32Å; E94-C96 PolarHBondContact O-N 3.33Å; C96-M98 VanDerWaalsContact C-N 3.35Å; C96-V158 HydrophobicContact CB-CG1 3.26Å; C96-V158 WeakPolarHBondContact SG-CG1 3.27Å; C96-S159 WeakPolarHBondContact CB-O 3.42Å | ||
| 97 | K | 91.8 | Very high | 92.1 | Very high | 130 Ų | 130 | 57.5 Ų | 57.5 | 57% | 0.565 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -76 | -24 | 179.7 | -62.8 | -177.1 | -178.4 | -178.3 | 0 | 113.5 | S159 K160 I184 D185 | K97-S159 PolarHBondContact N-O 2.89Å; K97-K160 WeakPolarHBondContact CB-O 3.45Å; K97-K160 WeakPolarHBondContact CG-O 3.22Å; K97-I184 WeakPolarHBondContact O-CA 3.47Å; K97-D185 WeakPolarHBondContact CB-OD1 3.33Å; K97-D185 PolarHBondContact O-N 3.1Å |
| 98 | M | 93.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 122.6 | -179 | -176.9 | -175.7 | 78.3 | 0 | 0 | 110.9 | C96 I124 S159 P162 V164 M167 I184 | C96-M98 VanDerWaalsContact C-N 3.35Å; M98-I124 HydrophobicContact CE-CD1 4.45Å; M98-I124 HydrophobicContact CE-CG1 4.36Å; M98-S159 VanDerWaalsContact CE-CB 3.42Å; M98-S159 PolarHBondContact N-O 2.95Å; M98-S159 VanDerWaalsContact N-O 3.13Å; M98-S159 PolarHBondContact O-N 3.48Å; M98-P162 HydrophobicContact CB-CB 4.24Å; M98-P162 HydrophobicContact SD-CB 4.43Å; M98-V164 HydrophobicContact SD-CG2 3.59Å; M98-V164 VanDerWaalsContact SD-CG2 3.59Å; M98-M167 HydrophobicContact CE-SD 4.38Å; M98-I184 HydrophobicContact CG-CG1 4.39Å |
| 99 | I | 94.5 | Very high | 91.8 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 106.8 | 177.3 | -56.8 | 173.3 | 0 | 0 | 0 | 108.5 | F93 L156 F157 A182 C183 | F93-I99 HydrophobicContact CB-CD1 4.39Å; F93-I99 HydrophobicContact CD1-CD1 3.27Å; F93-I99 HydrophobicContact CD2-CD1 4.05Å; F93-I99 HydrophobicContact CE1-CD1 3.41Å; F93-I99 VanDerWaalsContact CE1-CD1 3.41Å; F93-I99 HydrophobicContact CE2-CD1 4.15Å; F93-I99 HydrophobicContact CG-CD1 3.65Å; F93-I99 HydrophobicContact CZ-CD1 3.86Å; I99-L156 HydrophobicContact CG2-CD2 4.03Å; I99-F157 CarbonylContact C-O 3.59Å; I99-F157 WeakPolarHBondContact CA-O 3.24Å; I99-A182 CarbonylContact O-C 3.59Å; I99-A182 VanDerWaalsContact O-CA 3.23Å; I99-A182 WeakPolarHBondContact O-CA 3.31Å; I99-C183 HydrophobicContact CB-CB 4.4Å; I99-C183 PolarHBondContact N-O 3.06Å; I99-C183 PolarHBondContact O-N 2.88Å |
| 100 | G | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 130.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L156 F157 | G100-L156 WeakPolarHBondContact O-CA 3.34Å; G100-F157 PolarHBondContact N-O 3.28Å; G100-F157 PolarHBondContact O-N 3Å |
| 101 | V | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 118 | 171 | -173.9 | 0 | 0 | 0 | 0 | 108.7 | M146 L149 F150 L156 L180 G181 | V101-M146 HydrophobicContact CG2-SD 4.44Å; V101-L149 HydrophobicContact CB-CB 4.4Å; V101-L149 HydrophobicContact CB-CD1 4.27Å; V101-L149 HydrophobicContact CG1-CB 3.93Å; V101-L149 HydrophobicContact CG2-CD1 4.13Å; V101-F150 HydrophobicContact CG1-CE1 4.13Å; V101-F150 HydrophobicContact CG1-CZ 4.23Å; V101-F150 HydrophobicContact CG2-CE1 4.35Å; V101-F150 HydrophobicContact CG2-CE2 4.27Å; V101-F150 HydrophobicContact CG2-CZ 3.74Å; V101-L156 HydrophobicContact CG2-CD2 3.9Å; V101-L180 PolarHBondContact O-N 3.14Å; V101-G181 PolarHBondContact N-O 3.1Å; V101-G181 PolarHBondContact O-N 3.16Å |
| 102 | V | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 130 | -175.3 | 179.2 | 0 | 0 | 0 | 0 | 109 | T154 V155 F157 L171 M177 T178 L179 | V102-T154 CarbonylContact O-C 3.42Å; V102-T154 WeakPolarHBondContact O-CA 3.38Å; V102-V155 PolarHBondContact N-O 2.9Å; V102-V155 PolarHBondContact O-N 3.44Å; V102-F157 HydrophobicContact CB-CZ 4.39Å; V102-F157 HydrophobicContact CG1-CZ 4.28Å; V102-F157 HydrophobicContact CG2-CD1 4.4Å; V102-F157 HydrophobicContact CG2-CD2 3.67Å; V102-F157 HydrophobicContact CG2-CE1 4.39Å; V102-F157 HydrophobicContact CG2-CE2 3.69Å; V102-F157 HydrophobicContact CG2-CG 4.05Å; V102-F157 HydrophobicContact CG2-CZ 4.04Å; V102-L171 HydrophobicContact CG1-CD2 4.29Å; V102-M177 HydrophobicContact CG1-CB 3.7Å; V102-M177 HydrophobicContact CG1-CG 4.21Å; V102-M177 HydrophobicContact CG1-SD 3.97Å; V102-T178 CarbonylContact C-O 3.5Å; V102-T178 WeakPolarHBondContact CA-O 3.42Å; V102-T178 WeakPolarHBondContact CG1-O 3.32Å; V102-L179 HydrophobicContact CG2-CD1 3.89Å |
| 103 | Q | 93.1 | Very high | 91.3 | Very high | 63 Ų | 63 | 60.6 Ų | 60.6 | 29% | 0.294 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 131.4 | 169.9 | -173.8 | 176.6 | 9 | 0 | 0 | 108.9 | T178 L180 | Q103-T178 PolarHBondContact N-O 3.12Å; Q103-T178 PolarHBondContact O-N 3.46Å; Q103-L180 HydrophobicContact CB-CD1 4Å; Q103-L180 HydrophobicContact CB-CD2 4.24Å; Q103-L180 HydrophobicContact CB-CG 4.02Å |
| 104 | T | 91.1 | Very high | 91.4 | Very high | 19 Ų | 19 | 64.5 Ų | 64.5 | 12% | 0.117 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 118.2 | -179.2 | -61.6 | 0 | 0 | 0 | 0 | 109.5 | M112 P153 V155 M177 | T104-M112 HydrophobicContact CG2-CE 4.09Å; T104-P153 PolarHBondContact N-O 3.28Å; T104-P153 VanDerWaalsContact O-CG 3.27Å; T104-P153 WeakPolarHBondContact O-CG 3.48Å; T104-V155 WeakPolarHBondContact OG1-CG2 3.27Å; T104-M177 HydrophobicContact CG2-CE 3.88Å |
| 105 | N | 90.1 | Very high | 91.4 | Very high | 66 Ų | 66 | 56.7 Ų | 56.7 | 35% | 0.353 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 158.7 | 164 | -61.7 | -42.3 | 0 | 0 | 0 | 109.6 | C107 Q176 | N105-C107 WeakPolarHBondContact O-CB 3.1Å; N105-C107 PolarHBondContact O-N 3.03Å; N105-Q176 WeakPolarHBondContact CB-O 3.36Å; N105-Q176 PolarHBondContact N-O 2.82Å; N105-Q176 PolarHBondContact ND2-O 3.13Å |
| 106 | P | 86.9 | Confident | 91.4 | Very high | 131 Ų | 131 | 58.9 Ų | 58.9 | 85% | 0.851 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -49 | 120.1 | 172.6 | -27.1 | 35.5 | 0 | 0 | 0 | 110.7 | ||
| 107 | C | 86.3 | Confident | 91.5 | Very high | 34 Ų | 34 | 63.1 Ų | 63.1 | 23% | 0.23 | 33% | 0.333 | C | S | . | . | trans | -132.3 | 142.5 | -169.5 | 166.3 | 0 | 0 | 0 | 0 | 108 | N105 D111 M112 Q176 | N105-C107 WeakPolarHBondContact O-CB 3.1Å; N105-C107 PolarHBondContact O-N 3.03Å; C107-D111 VanDerWaalsContact SG-CB 3.52Å; C107-M112 HydrophobicContact CB-CE 4.35Å; C107-Q176 VanDerWaalsContact CA-OE1 3.28Å; C107-Q176 HydrophobicContact CB-CB 4.24Å; C107-Q176 PolarHBondContact SG-OE1 3.2Å | ||
| 108 | G | 89.7 | Confident | 91.4 | Very high | 35 Ų | 35 | 61 Ų | 61 | 36% | 0.361 | 32% | 0.321 | S | S | . | . | trans | -64.9 | 153.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D110 D111 M112 | G108-D110 VanDerWaalsContact C-N 3.27Å; G108-D110 PolarHBondContact O-N 3.48Å; G108-D111 PolarHBondContact O-N 3.38Å; G108-M112 PolarHBondContact O-N 3.34Å; G108-M112 VanDerWaalsContact O-N 3.09Å | ||
| 109 | V | 90.8 | Very high | 91.4 | Very high | 120 Ų | 120 | 61 Ų | 61 | 73% | 0.727 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.9 | -38.1 | 178.3 | -178.5 | 0 | 0 | 0 | 0 | 111 | M112 L113 | V109-M112 PolarHBondContact O-N 3.04Å; V109-L113 WeakPolarHBondContact O-CB 3.49Å; V109-L113 PolarHBondContact O-N 3.34Å |
| 110 | D | 91.4 | Very high | 91.3 | Very high | 129 Ų | 129 | 62.8 Ų | 62.8 | 69% | 0.69 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.8 | -44 | 178.4 | -60.1 | -39 | 0 | 0 | 0 | 111.8 | G108 M112 L113 M114 | G108-D110 VanDerWaalsContact C-N 3.27Å; G108-D110 PolarHBondContact O-N 3.48Å; D110-M112 VanDerWaalsContact C-N 3.33Å; D110-M112 PolarHBondContact O-N 3.15Å; D110-L113 PolarHBondContact O-N 3.5Å; D110-M114 WeakPolarHBondContact O-CB 3.39Å; D110-M114 VanDerWaalsContact O-CG 3.32Å; D110-M114 WeakPolarHBondContact O-CG 3.48Å; D110-M114 PolarHBondContact O-N 3.44Å |
| 111 | D | 89.5 | Confident | 91.2 | Very high | 75 Ų | 75 | 69.5 Ų | 69.5 | 40% | 0.401 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 176.7 | -70.4 | -22.7 | 0 | 0 | 0 | 111.2 | C107 G108 M114 L115 Q176 | C107-D111 VanDerWaalsContact SG-CB 3.52Å; G108-D111 PolarHBondContact O-N 3.38Å; D111-M114 PolarHBondContact O-N 3.43Å; D111-L115 WeakPolarHBondContact O-CB 3.41Å; D111-L115 PolarHBondContact O-N 2.94Å; D111-Q176 PolarHBondContact OD2-NE2 3.3Å; D111-Q176 VanDerWaalsContact OD2-NE2 3.1Å; D111-Q176 PolarHBondContact OD2-OE1 2.93Å |
| 112 | M | 89.1 | Confident | 91 | Very high | 42 Ų | 42 | 72.7 Ų | 72.7 | 21% | 0.207 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 176.3 | -175 | 67.5 | 65.8 | 0 | 0 | 111.9 | T104 C107 G108 V109 D110 L115 R116 F128 M177 | T104-M112 HydrophobicContact CG2-CE 4.09Å; C107-M112 HydrophobicContact CB-CE 4.35Å; G108-M112 PolarHBondContact O-N 3.34Å; G108-M112 VanDerWaalsContact O-N 3.09Å; V109-M112 PolarHBondContact O-N 3.04Å; D110-M112 VanDerWaalsContact C-N 3.33Å; D110-M112 PolarHBondContact O-N 3.15Å; M112-L115 PolarHBondContact O-N 3.38Å; M112-R116 WeakPolarHBondContact O-CB 3.42Å; M112-R116 PolarHBondContact O-N 3.03Å; M112-F128 HydrophobicContact SD-CZ 4.4Å; M112-M177 HydrophobicContact CE-CE 3.25Å; M112-M177 HydrophobicContact SD-CE 3.39Å; M112-M177 WeakPolarHBondContact SD-CE 3.41Å |
| 113 | L | 91.8 | Very high | 90.9 | Very high | 113 Ų | 113 | 78 Ų | 78 | 59% | 0.592 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -67 | -42.5 | 179.4 | -168.7 | 147.3 | 0 | 0 | 0 | 111.1 | V109 D110 L115 R116 H117 | V109-L113 WeakPolarHBondContact O-CB 3.49Å; V109-L113 PolarHBondContact O-N 3.34Å; D110-L113 PolarHBondContact O-N 3.5Å; L113-L115 PolarHBondContact O-N 3.1Å; L113-R116 PolarHBondContact O-N 3.49Å; L113-H117 WeakPolarHBondContact O-CB 3.42Å; L113-H117 PolarHBondContact O-N 3.35Å |
| 114 | M | 91.4 | Very high | 91 | Very high | 94 Ų | 94 | 75.1 Ų | 75.1 | 46% | 0.463 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 174.4 | -73 | -62.3 | -71.5 | 0 | 0 | 111.9 | D110 D111 H117 R118 | D110-M114 WeakPolarHBondContact O-CB 3.39Å; D110-M114 VanDerWaalsContact O-CG 3.32Å; D110-M114 WeakPolarHBondContact O-CG 3.48Å; D110-M114 PolarHBondContact O-N 3.44Å; D111-M114 PolarHBondContact O-N 3.43Å; M114-H117 PolarHBondContact O-N 3.09Å; M114-R118 WeakPolarHBondContact O-CG 3.3Å; M114-R118 PolarHBondContact O-N 3.01Å |
| 115 | L | 91.3 | Very high | 91.1 | Very high | 2 Ų | 2 | 80.1 Ų | 80.1 | 1% | 0.01 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 175.8 | -177.3 | 63.8 | 0 | 0 | 0 | 111.5 | D111 M112 L113 H117 R118 L119 F157 A170 M177 | D111-L115 WeakPolarHBondContact O-CB 3.41Å; D111-L115 PolarHBondContact O-N 2.94Å; M112-L115 PolarHBondContact O-N 3.38Å; L113-L115 PolarHBondContact O-N 3.1Å; L115-H117 VanDerWaalsContact C-N 3.3Å; L115-H117 PolarHBondContact O-N 3.47Å; L115-R118 PolarHBondContact O-N 3.5Å; L115-L119 HydrophobicContact CD1-CD1 4.2Å; L115-L119 HydrophobicContact CD1-CG 4.33Å; L115-L119 HydrophobicContact CG-CD1 4.03Å; L115-L119 WeakPolarHBondContact O-CB 3.47Å; L115-L119 WeakPolarHBondContact O-CG 3.41Å; L115-L119 PolarHBondContact O-N 2.96Å; L115-F157 HydrophobicContact CD2-CZ 4.3Å; L115-A170 HydrophobicContact CD1-CB 4.17Å; L115-M177 HydrophobicContact CD2-CE 3.82Å; L115-M177 HydrophobicContact CD2-CG 4.02Å; L115-M177 HydrophobicContact CD2-SD 3.27Å; L115-M177 WeakPolarHBondContact CD2-SD 3.42Å |
| 116 | R | 91.9 | Very high | 91.3 | Very high | 162 Ų | 162 | 77.8 Ų | 77.8 | 61% | 0.611 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -60.5 | -40.1 | 177.2 | -171 | 175.5 | -179.3 | 170.1 | -0.8 | 111.9 | M112 L113 G120 I126 | M112-R116 WeakPolarHBondContact O-CB 3.42Å; M112-R116 PolarHBondContact O-N 3.03Å; L113-R116 PolarHBondContact O-N 3.49Å; R116-G120 PolarHBondContact O-N 3.34Å; R116-I126 HydrophobicContact CB-CD1 3.92Å; R116-I126 HydrophobicContact CG-CD1 4.17Å |
| 117 | H | 93.1 | Very high | 91.6 | Very high | 107 Ų | 107 | 75.5 Ų | 75.5 | 50% | 0.495 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 175.7 | 179.6 | 68.8 | 0 | 0 | 0 | 111.9 | L113 M114 L115 G120 K121 | L113-H117 WeakPolarHBondContact O-CB 3.42Å; L113-H117 PolarHBondContact O-N 3.35Å; M114-H117 PolarHBondContact O-N 3.09Å; L115-H117 VanDerWaalsContact C-N 3.3Å; L115-H117 PolarHBondContact O-N 3.47Å; H117-G120 PolarHBondContact O-N 3.17Å; H117-K121 WeakPolarHBondContact NE2-CE 3.47Å; H117-K121 PolarHBondContact O-N 3.33Å |
| 118 | R | 91.5 | Very high | 91.9 | Very high | 86 Ų | 86 | 79.7 Ų | 79.7 | 33% | 0.325 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 178.6 | -72 | 173.7 | -177.8 | 163.8 | -0.1 | 112.6 | M114 L115 G120 K121 H122 | M114-R118 WeakPolarHBondContact O-CG 3.3Å; M114-R118 PolarHBondContact O-N 3.01Å; L115-R118 PolarHBondContact O-N 3.5Å; R118-G120 VanDerWaalsContact C-N 3.29Å; R118-G120 PolarHBondContact O-N 3.4Å; R118-K121 WeakPolarHBondContact O-CB 3.5Å; R118-K121 PolarHBondContact O-N 2.96Å; R118-H122 PolarHBondContact O-CD2 2.92Å |
| 119 | L | 93 | Very high | 92 | Very high | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.9 | -37.4 | 175.7 | -72.3 | 175.7 | 0 | 0 | 0 | 111.4 | L115 K121 H122 D123 I124 I126 F157 A170 | L115-L119 HydrophobicContact CD1-CD1 4.2Å; L115-L119 HydrophobicContact CD1-CG 4.33Å; L115-L119 HydrophobicContact CG-CD1 4.03Å; L115-L119 WeakPolarHBondContact O-CB 3.47Å; L115-L119 WeakPolarHBondContact O-CG 3.41Å; L115-L119 PolarHBondContact O-N 2.96Å; L119-K121 VanDerWaalsContact C-N 3.29Å; L119-K121 PolarHBondContact O-N 3.34Å; L119-H122 CarbonylContact O-C 3.27Å; L119-H122 PolarHBondContact O-N 3.27Å; L119-D123 PolarHBondContact O-N 3.47Å; L119-I124 CarbonylContact C-O 3.58Å; L119-I124 HydrophobicContact CB-CB 4.04Å; L119-I124 HydrophobicContact CB-CG2 4.33Å; L119-I124 HydrophobicContact CD2-CB 4.15Å; L119-I124 HydrophobicContact CD2-CD1 3.85Å; L119-I124 HydrophobicContact CD2-CG2 4.06Å; L119-I124 PolarHBondContact O-N 3.16Å; L119-I126 HydrophobicContact CD1-CD1 3.85Å; L119-I126 HydrophobicContact CD1-CG1 3.83Å; L119-F157 HydrophobicContact CD1-CD1 4.26Å; L119-F157 HydrophobicContact CD1-CD2 4.14Å; L119-F157 HydrophobicContact CD1-CE1 3.88Å; L119-F157 HydrophobicContact CD1-CE2 3.71Å; L119-F157 HydrophobicContact CD1-CG 4.4Å; L119-F157 HydrophobicContact CD1-CZ 3.58Å; L119-A170 HydrophobicContact CD2-CB 3.63Å; L119-A170 HydrophobicContact CG-CB 4.14Å |
| 120 | G | 92.1 | Very high | 92.1 | Very high | 40 Ų | 40 | 76.9 Ų | 76.9 | 41% | 0.412 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.4 | -30.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R116 H117 R118 H122 D123 | R116-G120 PolarHBondContact O-N 3.34Å; H117-G120 PolarHBondContact O-N 3.17Å; R118-G120 VanDerWaalsContact C-N 3.29Å; R118-G120 PolarHBondContact O-N 3.4Å; G120-H122 PolarHBondContact O-N 3.04Å; G120-D123 PolarHBondContact O-N 2.91Å |
| 121 | K | 92.3 | Very high | 92.2 | Very high | 141 Ų | 141 | 72.9 Ų | 72.9 | 61% | 0.613 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22 | 174.2 | -66.6 | -175.1 | -177.5 | -173.2 | 0 | 113.4 | H117 R118 L119 | H117-K121 WeakPolarHBondContact NE2-CE 3.47Å; H117-K121 PolarHBondContact O-N 3.33Å; R118-K121 WeakPolarHBondContact O-CB 3.5Å; R118-K121 PolarHBondContact O-N 2.96Å; L119-K121 VanDerWaalsContact C-N 3.29Å; L119-K121 PolarHBondContact O-N 3.34Å |
| 122 | H | 91.6 | Very high | 92.2 | Very high | 68 Ų | 68 | 76.4 Ų | 76.4 | 32% | 0.315 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 16.6 | -178.9 | -59.5 | -68.6 | 0 | 0 | 0 | 112.2 | R118 L119 G120 I124 K163 E166 | R118-H122 PolarHBondContact O-CD2 2.92Å; L119-H122 CarbonylContact O-C 3.27Å; L119-H122 PolarHBondContact O-N 3.27Å; G120-H122 PolarHBondContact O-N 3.04Å; H122-I124 HydrophobicContact CB-CD1 4.15Å; H122-I124 HydrophobicContact CB-CG1 4.31Å; H122-I124 PolarHBondContact O-N 3.06Å; H122-K163 WeakPolarHBondContact O-CD 3.23Å; H122-E166 HydrophobicContact CB-CB 4.1Å |
| 123 | D | 91.7 | Very high | 92.3 | Very high | 110 Ų | 110 | 74.8 Ų | 74.8 | 59% | 0.588 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 19.3 | -176.7 | -56.9 | -53 | 0 | 0 | 0 | 115.1 | L119 G120 K163 | L119-D123 PolarHBondContact O-N 3.47Å; G120-D123 PolarHBondContact O-N 2.91Å; D123-K163 IonicContact OD2-NZ 3.55Å |
| 124 | I | 94.8 | Very high | 92.4 | Very high | 4 Ų | 4 | 69.4 Ų | 69.4 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -86.5 | 118.4 | 176.8 | -56.2 | 166 | 0 | 0 | 0 | 108.5 | M98 L119 H122 F157 M167 | M98-I124 HydrophobicContact CE-CD1 4.45Å; M98-I124 HydrophobicContact CE-CG1 4.36Å; L119-I124 CarbonylContact C-O 3.58Å; L119-I124 HydrophobicContact CB-CB 4.04Å; L119-I124 HydrophobicContact CB-CG2 4.33Å; L119-I124 HydrophobicContact CD2-CB 4.15Å; L119-I124 HydrophobicContact CD2-CD1 3.85Å; L119-I124 HydrophobicContact CD2-CG2 4.06Å; L119-I124 PolarHBondContact O-N 3.16Å; H122-I124 HydrophobicContact CB-CD1 4.15Å; H122-I124 HydrophobicContact CB-CG1 4.31Å; H122-I124 PolarHBondContact O-N 3.06Å; I124-F157 HydrophobicContact CG2-CB 4.07Å; I124-M167 HydrophobicContact CD1-CB 3.89Å |
| 125 | K | 93.8 | Very high | 92.4 | Very high | 124 Ų | 124 | 68.4 Ų | 68.4 | 54% | 0.539 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 133.1 | -179.7 | -64.3 | 179.7 | -174.7 | 174 | 0 | 110.3 | V158 | K125-V158 PolarHBondContact N-O 2.91Å; K125-V158 PolarHBondContact O-N 2.9Å |
| 126 | I | 93.1 | Very high | 92.4 | Very high | 16 Ų | 16 | 70.4 Ų | 70.4 | 8% | 0.082 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 126.7 | 170.2 | -52.2 | -178 | 0 | 0 | 0 | 108.5 | R116 L119 F128 V155 L156 F157 | R116-I126 HydrophobicContact CB-CD1 3.92Å; R116-I126 HydrophobicContact CG-CD1 4.17Å; L119-I126 HydrophobicContact CD1-CD1 3.85Å; L119-I126 HydrophobicContact CD1-CG1 3.83Å; I126-F128 HydrophobicContact CG2-CD2 4.35Å; I126-F128 HydrophobicContact CG2-CE2 3.62Å; I126-F128 HydrophobicContact CG2-CZ 3.9Å; I126-V155 HydrophobicContact CG2-CG1 3.27Å; I126-L156 WeakPolarHBondContact CA-O 3.27Å; I126-F157 HydrophobicContact CD1-CE1 4.13Å; I126-F157 HydrophobicContact CG1-CD1 4.05Å; I126-F157 HydrophobicContact CG1-CE1 3.88Å; I126-F157 HydrophobicContact CG2-CD1 4.32Å; I126-F157 HydrophobicContact CG2-CE1 4.13Å |
| 127 | K | 93.3 | Very high | 92.3 | Very high | 83 Ų | 83 | 63.7 Ų | 63.7 | 36% | 0.361 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 138.5 | 177.2 | -63.9 | -68.5 | -171.3 | 168.8 | 0 | 110.5 | F129 L156 V158 | K127-F129 HydrophobicContact CB-CD2 4.13Å; K127-F129 HydrophobicContact CB-CE2 3.6Å; K127-F129 HydrophobicContact CB-CZ 4.47Å; K127-F129 HydrophobicContact CG-CE2 4.31Å; K127-L156 HydrophobicContact CB-CB 4.36Å; K127-L156 PolarHBondContact N-O 3.41Å; K127-L156 PolarHBondContact O-N 3.37Å; K127-V158 HydrophobicContact CB-CG2 4.26Å; K127-V158 HydrophobicContact CG-CG2 3.98Å |
| 128 | F | 92.3 | Very high | 92.2 | Very high | 123 Ų | 123 | 58.6 Ų | 58.6 | 54% | 0.539 | 29% | 0.292 | S | S | . | . | trans | -113.8 | 126.5 | 177.8 | -64.2 | -93.5 | 0 | 0 | 0 | 108.4 | M112 I126 V155 | M112-F128 HydrophobicContact SD-CZ 4.4Å; I126-F128 HydrophobicContact CG2-CD2 4.35Å; I126-F128 HydrophobicContact CG2-CE2 3.62Å; I126-F128 HydrophobicContact CG2-CZ 3.9Å; F128-V155 HydrophobicContact CD1-CB 4.43Å; F128-V155 HydrophobicContact CD1-CG1 4.13Å; F128-V155 HydrophobicContact CD1-CG2 3.61Å; F128-V155 HydrophobicContact CE1-CB 4.17Å; F128-V155 HydrophobicContact CE1-CG1 3.81Å; F128-V155 HydrophobicContact CE1-CG2 3.22Å; F128-V155 HydrophobicContact CE2-CG1 4.39Å; F128-V155 HydrophobicContact CZ-CG1 3.93Å; F128-V155 HydrophobicContact CZ-CG2 4.06Å | ||
| 129 | F | 93.1 | Very high | 92.1 | Very high | 29 Ų | 29 | 58.4 Ų | 58.4 | 13% | 0.127 | 30% | 0.304 | C | S | . | . | trans | -133.8 | 142.5 | 175.5 | -68 | -81.3 | 0 | 0 | 0 | 109.4 | L85 L89 V92 K127 N131 M134 L156 | L85-F129 HydrophobicContact CD2-CD1 4.46Å; L89-F129 HydrophobicContact CD1-CD1 4.2Å; L89-F129 HydrophobicContact CD1-CG 4.45Å; L89-F129 HydrophobicContact CD2-CB 4.33Å; L89-F129 HydrophobicContact CD2-CD1 3.68Å; L89-F129 HydrophobicContact CD2-CD2 3.49Å; L89-F129 VanDerWaalsContact CD2-CD2 3.49Å; L89-F129 HydrophobicContact CD2-CE1 3.68Å; L89-F129 HydrophobicContact CD2-CE2 3.46Å; L89-F129 VanDerWaalsContact CD2-CE2 3.46Å; L89-F129 HydrophobicContact CD2-CG 3.57Å; L89-F129 HydrophobicContact CD2-CZ 3.56Å; L89-F129 HydrophobicContact CG-CD1 3.79Å; L89-F129 HydrophobicContact CG-CD2 4.49Å; L89-F129 HydrophobicContact CG-CE1 3.76Å; L89-F129 HydrophobicContact CG-CE2 4.44Å; L89-F129 HydrophobicContact CG-CG 4.16Å; L89-F129 HydrophobicContact CG-CZ 4.09Å; V92-F129 HydrophobicContact CG2-CZ 4.43Å; K127-F129 HydrophobicContact CB-CD2 4.13Å; K127-F129 HydrophobicContact CB-CE2 3.6Å; K127-F129 HydrophobicContact CB-CZ 4.47Å; K127-F129 HydrophobicContact CG-CE2 4.31Å; F129-N131 PolarHBondContact O-N 2.96Å; F129-M134 HydrophobicContact CB-CG 3.94Å; F129-M134 HydrophobicContact CB-SD 4.46Å; F129-L156 HydrophobicContact CD2-CD1 3.84Å; F129-L156 HydrophobicContact CE2-CD1 4.26Å | ||
| 130 | P | 91.9 | Very high | 91.7 | Very high | 67 Ų | 67 | 64.9 Ų | 64.9 | 44% | 0.435 | 34% | 0.338 | S | S | . | . | trans | -62.7 | 134.6 | 174.6 | -19.7 | 31.5 | 0 | 0 | 0 | 111 | L85 Q132 V133 M134 | L85-P130 HydrophobicContact CD1-CG 4.26Å; P130-Q132 PolarHBondContact O-N 3.33Å; P130-V133 HydrophobicContact CB-CG2 4.19Å; P130-V133 HydrophobicContact CG-CG2 4.34Å; P130-V133 PolarHBondContact O-N 3.5Å; P130-M134 PolarHBondContact O-N 3.23Å | ||
| 131 | N | 93.2 | Very high | 91.3 | Very high | 44 Ų | 44 | 64.3 Ų | 64.3 | 24% | 0.235 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.9 | -36.1 | -177.8 | -62.8 | 6.8 | 0 | 0 | 0 | 112.3 | F129 V133 M134 L135 F150 G152 T154 | F129-N131 PolarHBondContact O-N 2.96Å; N131-V133 VanDerWaalsContact C-N 3.32Å; N131-V133 PolarHBondContact O-N 3.21Å; N131-M134 PolarHBondContact O-N 3.04Å; N131-L135 WeakPolarHBondContact O-CB 3.47Å; N131-L135 VanDerWaalsContact O-CG 3.23Å; N131-L135 WeakPolarHBondContact O-CG 3.41Å; N131-L135 PolarHBondContact O-N 2.89Å; N131-F150 PolarHBondContact ND2-O 3.39Å; N131-F150 VanDerWaalsContact ND2-O 3.1Å; N131-G152 PolarHBondContact ND2-O 2.83Å; N131-T154 PolarHBondContact OD1-OG1 2.63Å |
| 132 | Q | 90.6 | Very high | 91 | Very high | 149 Ų | 149 | 63.7 Ų | 63.7 | 70% | 0.696 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -59.9 | -43.6 | 178.3 | -173.1 | 177 | 2.6 | 0 | 0 | 111.8 | P130 S136 | P130-Q132 PolarHBondContact O-N 3.33Å; Q132-S136 PolarHBondContact O-N 3.4Å; Q132-S136 VanDerWaalsContact O-N 3.11Å; Q132-S136 PolarHBondContact O-OG 2.93Å; Q132-S136 VanDerWaalsContact O-OG 3.1Å |
| 133 | V | 91.4 | Very high | 90.7 | Very high | 8 Ų | 8 | 62.3 Ų | 62.3 | 5% | 0.048 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.2 | -42.4 | 178.5 | -175.4 | 0 | 0 | 0 | 0 | 110.4 | I82 L85 K86 L89 P130 N131 S136 F137 | I82-V133 HydrophobicContact CG1-CG2 4.32Å; I82-V133 HydrophobicContact CG2-CG1 4.31Å; I82-V133 HydrophobicContact CG2-CG2 4.04Å; L85-V133 HydrophobicContact CB-CG1 3.92Å; L85-V133 HydrophobicContact CD1-CG2 4.18Å; K86-V133 HydrophobicContact CG-CG1 3.87Å; L89-V133 HydrophobicContact CD1-CG1 3.98Å; P130-V133 HydrophobicContact CB-CG2 4.19Å; P130-V133 HydrophobicContact CG-CG2 4.34Å; P130-V133 PolarHBondContact O-N 3.5Å; N131-V133 VanDerWaalsContact C-N 3.32Å; N131-V133 PolarHBondContact O-N 3.21Å; V133-S136 PolarHBondContact O-N 3.06Å; V133-F137 WeakPolarHBondContact O-CB 3.47Å; V133-F137 PolarHBondContact O-N 3.47Å |
| 134 | M | 92.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 175 | -88.4 | -52.1 | -53.6 | 0 | 0 | 112.2 | L89 F93 F129 P130 N131 S136 F137 L138 F150 L156 | L89-M134 HydrophobicContact CD1-CG 4.32Å; L89-M134 HydrophobicContact CD1-SD 3.45Å; L89-M134 WeakPolarHBondContact CD1-SD 3.47Å; L89-M134 HydrophobicContact CD2-SD 3.28Å; L89-M134 WeakPolarHBondContact CD2-SD 3.5Å; L89-M134 HydrophobicContact CG-SD 3.97Å; F93-M134 HydrophobicContact CE2-CE 3.91Å; F93-M134 HydrophobicContact CE2-SD 4.39Å; F93-M134 HydrophobicContact CZ-CE 3.89Å; F129-M134 HydrophobicContact CB-CG 3.94Å; F129-M134 HydrophobicContact CB-SD 4.46Å; P130-M134 PolarHBondContact O-N 3.23Å; N131-M134 PolarHBondContact O-N 3.04Å; M134-S136 PolarHBondContact O-N 3.29Å; M134-F137 HydrophobicContact CE-CD1 4.17Å; M134-F137 WeakPolarHBondContact O-CB 3.44Å; M134-F137 PolarHBondContact O-N 2.91Å; M134-F137 VanDerWaalsContact O-N 3.14Å; M134-L138 HydrophobicContact CE-CD1 3.78Å; M134-L138 HydrophobicContact CE-CD2 3.86Å; M134-L138 HydrophobicContact CE-CG 3.72Å; M134-L138 WeakPolarHBondContact O-CB 3.33Å; M134-L138 WeakPolarHBondContact O-CG 3.41Å; M134-L138 PolarHBondContact O-N 3.4Å; M134-F150 HydrophobicContact CB-CD1 4.27Å; M134-F150 HydrophobicContact CB-CE1 4.5Å; M134-F150 HydrophobicContact CB-CG 4.46Å; M134-F150 HydrophobicContact CE-CE1 4.22Å; M134-F150 HydrophobicContact CE-CE2 4.11Å; M134-F150 HydrophobicContact CE-CZ 3.77Å; M134-F150 HydrophobicContact CG-CD1 4.3Å; M134-F150 HydrophobicContact CG-CE1 4.14Å; M134-L156 HydrophobicContact SD-CD1 4.25Å |
| 135 | L | 92.2 | Very high | 90.2 | Very high | 72 Ų | 72 | 65.3 Ų | 65.3 | 38% | 0.377 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | -179.6 | -70.9 | 171.8 | 0 | 0 | 0 | 111.8 | N131 F137 L138 S139 A147 F150 | N131-L135 WeakPolarHBondContact O-CB 3.47Å; N131-L135 VanDerWaalsContact O-CG 3.23Å; N131-L135 WeakPolarHBondContact O-CG 3.41Å; N131-L135 PolarHBondContact O-N 2.89Å; L135-F137 VanDerWaalsContact C-N 3.29Å; L135-F137 PolarHBondContact O-N 3.41Å; L135-L138 PolarHBondContact O-N 3.32Å; L135-S139 PolarHBondContact O-N 3.02Å; L135-S139 PolarHBondContact O-OG 3.45Å; L135-A147 HydrophobicContact CD2-CB 3.92Å; L135-A147 WeakPolarHBondContact CD2-O 3.18Å; L135-F150 HydrophobicContact CD2-CB 4.23Å |
| 136 | S | 90.3 | Very high | 90 | Very high | 45 Ų | 45 | 59.5 Ų | 59.5 | 32% | 0.315 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.7 | -30.2 | 174 | -61.2 | 0 | 0 | 0 | 0 | 113.6 | Q132 V133 M134 S139 N140 | Q132-S136 PolarHBondContact O-N 3.4Å; Q132-S136 VanDerWaalsContact O-N 3.11Å; Q132-S136 PolarHBondContact O-OG 2.93Å; Q132-S136 VanDerWaalsContact O-OG 3.1Å; V133-S136 PolarHBondContact O-N 3.06Å; M134-S136 PolarHBondContact O-N 3.29Å; S136-S139 PolarHBondContact O-OG 3.13Å; S136-N140 PolarHBondContact O-ND2 3.07Å |
| 137 | F | 91.2 | Very high | 89.9 | Confident | 20 Ų | 20 | 60.2 Ų | 60.2 | 9% | 0.088 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -73.4 | -46.8 | 173.7 | 171.2 | -108 | 0 | 0 | 0 | 110.8 | L89 E90 F93 V133 M134 L135 S139 N140 S141 | L89-F137 HydrophobicContact CB-CD1 4.41Å; L89-F137 HydrophobicContact CB-CG 4.39Å; L89-F137 HydrophobicContact CD1-CB 4.33Å; E90-F137 HydrophobicContact CB-CE2 4.46Å; E90-F137 HydrophobicContact CG-CD2 4.12Å; E90-F137 HydrophobicContact CG-CE2 3.42Å; E90-F137 VanDerWaalsContact CG-CE2 3.42Å; E90-F137 HydrophobicContact CG-CZ 4.24Å; F93-F137 HydrophobicContact CB-CZ 4.36Å; F93-F137 HydrophobicContact CD1-CE1 4.25Å; F93-F137 HydrophobicContact CD2-CD1 4.48Å; F93-F137 AromaticContact CD2-CE1 3.6Å; F93-F137 HydrophobicContact CD2-CE1 3.6Å; F93-F137 HydrophobicContact CD2-CZ 4.16Å; F93-F137 HydrophobicContact CE1-CE1 4.31Å; F93-F137 HydrophobicContact CE2-CD1 4.25Å; F93-F137 AromaticContact CE2-CE1 3.7Å; F93-F137 HydrophobicContact CE2-CE1 3.7Å; F93-F137 AromaticContact CG-CE1 3.88Å; F93-F137 HydrophobicContact CG-CE1 3.88Å; F93-F137 HydrophobicContact CG-CZ 4.18Å; F93-F137 HydrophobicContact CZ-CE1 4.06Å; V133-F137 WeakPolarHBondContact O-CB 3.47Å; V133-F137 PolarHBondContact O-N 3.47Å; M134-F137 HydrophobicContact CE-CD1 4.17Å; M134-F137 WeakPolarHBondContact O-CB 3.44Å; M134-F137 PolarHBondContact O-N 2.91Å; M134-F137 VanDerWaalsContact O-N 3.14Å; L135-F137 VanDerWaalsContact C-N 3.29Å; L135-F137 PolarHBondContact O-N 3.41Å; F137-S139 VanDerWaalsContact C-N 3.33Å; F137-S139 PolarHBondContact O-N 3.32Å; F137-N140 PolarHBondContact O-N 3.2Å; F137-N140 VanDerWaalsContact O-N 3.14Å; F137-S141 PolarHBondContact O-N 3.2Å |
| 138 | L | 91.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.9 | -35.3 | -177 | -67.2 | 169.6 | 0 | 0 | 0 | 112.8 | F93 M134 L135 N140 S141 M146 F150 | F93-L138 HydrophobicContact CZ-CD2 4.38Å; M134-L138 HydrophobicContact CE-CD1 3.78Å; M134-L138 HydrophobicContact CE-CD2 3.86Å; M134-L138 HydrophobicContact CE-CG 3.72Å; M134-L138 WeakPolarHBondContact O-CB 3.33Å; M134-L138 WeakPolarHBondContact O-CG 3.41Å; M134-L138 PolarHBondContact O-N 3.4Å; L135-L138 PolarHBondContact O-N 3.32Å; L138-N140 PolarHBondContact O-N 3.21Å; L138-S141 WeakPolarHBondContact CA-OG 3.49Å; L138-S141 PolarHBondContact O-N 3.3Å; L138-S141 VanDerWaalsContact O-N 3.16Å; L138-S141 PolarHBondContact O-OG 3.24Å; L138-S141 VanDerWaalsContact O-OG 3.11Å; L138-M146 HydrophobicContact CD1-CB 4.29Å; L138-M146 HydrophobicContact CD2-CB 4.3Å; L138-M146 HydrophobicContact CD2-CE 4.19Å; L138-F150 HydrophobicContact CD1-CD2 3.4Å; L138-F150 VanDerWaalsContact CD1-CD2 3.4Å; L138-F150 HydrophobicContact CD1-CE2 3.33Å; L138-F150 HydrophobicContact CD1-CG 4.44Å; L138-F150 HydrophobicContact CD1-CZ 4.31Å |
| 139 | S | 87.9 | Confident | 89.8 | Confident | 83 Ų | 83 | 56.2 Ų | 56.2 | 58% | 0.58 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -27.6 | 176.5 | 61.1 | 0 | 0 | 0 | 0 | 113.3 | L135 S136 F137 | L135-S139 PolarHBondContact O-N 3.02Å; L135-S139 PolarHBondContact O-OG 3.45Å; S136-S139 PolarHBondContact O-OG 3.13Å; F137-S139 VanDerWaalsContact C-N 3.33Å; F137-S139 PolarHBondContact O-N 3.32Å |
| 140 | N | 84.6 | Confident | 89.7 | Confident | 136 Ų | 136 | 55.1 Ų | 55.1 | 73% | 0.727 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -2.8 | -177.4 | -60.7 | -9.3 | 0 | 0 | 0 | 112.6 | S136 F137 L138 | S136-N140 PolarHBondContact O-ND2 3.07Å; F137-N140 PolarHBondContact O-N 3.2Å; F137-N140 VanDerWaalsContact O-N 3.14Å; L138-N140 PolarHBondContact O-N 3.21Å |
| 141 | S | 85.3 | Confident | 89.6 | Confident | 28 Ų | 28 | 57.9 Ų | 57.9 | 20% | 0.196 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -115 | 169.6 | -170.3 | 78.8 | 0 | 0 | 0 | 0 | 112.4 | F137 L138 Y143 | F137-S141 PolarHBondContact O-N 3.2Å; L138-S141 WeakPolarHBondContact CA-OG 3.49Å; L138-S141 PolarHBondContact O-N 3.3Å; L138-S141 VanDerWaalsContact O-N 3.16Å; L138-S141 PolarHBondContact O-OG 3.24Å; L138-S141 VanDerWaalsContact O-OG 3.11Å; S141-Y143 PolarHBondContact O-N 3.5Å; S141-Y143 VanDerWaalsContact O-N 3.14Å; S141-Y143 PolarHBondContact OG-N 3.26Å; S141-Y143 VanDerWaalsContact OG-N 3.14Å |
| 142 | V | 85.4 | Confident | 89.4 | Confident | 127 Ų | 127 | 57.6 Ų | 57.6 | 77% | 0.77 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17.3 | 172.6 | -170.4 | 0 | 0 | 0 | 0 | 112 | S144 | V142-S144 VanDerWaalsContact C-N 3.31Å; V142-S144 PolarHBondContact O-N 3.39Å |
| 143 | Y | 85.5 | Confident | 89.5 | Confident | 40 Ų | 40 | 54.5 Ų | 54.5 | 16% | 0.157 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 23.5 | -175.5 | -50.5 | -68.6 | 0 | 0 | 0 | 114.2 | F93 S141 N145 M146 N186 | F93-Y143 AromaticContact CD1-CD2 3.64Å; F93-Y143 HydrophobicContact CD1-CD2 3.64Å; F93-Y143 AromaticContact CD1-CE2 3.39Å; F93-Y143 HydrophobicContact CD1-CE2 3.39Å; F93-Y143 HydrophobicContact CD1-CG 4.34Å; F93-Y143 AromaticContact CD1-CZ 3.92Å; F93-Y143 AromaticContact CE1-CD2 3.71Å; F93-Y143 HydrophobicContact CE1-CD2 3.71Å; F93-Y143 AromaticContact CE1-CE2 3.94Å; F93-Y143 HydrophobicContact CE1-CE2 3.94Å; F93-Y143 HydrophobicContact CE1-CG 4.05Å; F93-Y143 HydrophobicContact CG-CE2 4.32Å; S141-Y143 PolarHBondContact O-N 3.5Å; S141-Y143 VanDerWaalsContact O-N 3.14Å; S141-Y143 PolarHBondContact OG-N 3.26Å; S141-Y143 VanDerWaalsContact OG-N 3.14Å; Y143-N145 PolarHBondContact O-N 3.48Å; Y143-M146 HydrophobicContact CD1-CE 4.05Å; Y143-M146 HydrophobicContact CG-CE 3.91Å; Y143-M146 WeakPolarHBondContact O-CB 3.39Å; Y143-M146 PolarHBondContact O-N 2.88Å; Y143-N186 HydrophobicContact CE1-CB 4.38Å; Y143-N186 PolarHBondContact OH-OD1 3.14Å |
| 144 | S | 87.4 | Confident | 89.6 | Confident | 60 Ų | 60 | 54.7 Ų | 54.7 | 42% | 0.42 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -51.3 | -34.6 | 179.9 | 61.4 | 0 | 0 | 0 | 0 | 113.2 | V142 M146 A147 | V142-S144 VanDerWaalsContact C-N 3.31Å; V142-S144 PolarHBondContact O-N 3.39Å; S144-M146 PolarHBondContact O-N 2.91Å; S144-M146 VanDerWaalsContact O-N 3.13Å; S144-A147 VanDerWaalsContact O-CB 3.24Å; S144-A147 WeakPolarHBondContact O-CB 3.19Å; S144-A147 PolarHBondContact O-N 2.87Å; S144-A147 VanDerWaalsContact O-N 3.08Å |
| 145 | N | 89.1 | Confident | 89.7 | Confident | 116 Ų | 116 | 54.9 Ų | 54.9 | 62% | 0.62 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -62.9 | -16.4 | 177 | -65.3 | -29.8 | 0 | 0 | 0 | 114.4 | Y143 P148 L188 | Y143-N145 PolarHBondContact O-N 3.48Å; N145-P148 WeakPolarHBondContact O-CD 3.47Å; N145-L188 HydrophobicContact CB-CD2 3.8Å |
| 146 | M | 89.5 | Confident | 89.8 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -83.9 | -15.2 | 175.8 | -66.4 | -150.6 | -75.7 | 0 | 0 | 113.7 | F93 V101 L138 Y143 S144 P148 L149 F150 C183 L188 | F93-M146 HydrophobicContact CE1-CE 3.48Å; F93-M146 VanDerWaalsContact CE1-CE 3.48Å; F93-M146 HydrophobicContact CZ-CE 3.84Å; V101-M146 HydrophobicContact CG2-SD 4.44Å; L138-M146 HydrophobicContact CD1-CB 4.29Å; L138-M146 HydrophobicContact CD2-CB 4.3Å; L138-M146 HydrophobicContact CD2-CE 4.19Å; Y143-M146 HydrophobicContact CD1-CE 4.05Å; Y143-M146 HydrophobicContact CG-CE 3.91Å; Y143-M146 WeakPolarHBondContact O-CB 3.39Å; Y143-M146 PolarHBondContact O-N 2.88Å; S144-M146 PolarHBondContact O-N 2.91Å; S144-M146 VanDerWaalsContact O-N 3.13Å; M146-P148 VanDerWaalsContact C-CD 3.4Å; M146-L149 HydrophobicContact CB-CD1 4.4Å; M146-L149 HydrophobicContact CG-CD1 4.45Å; M146-L149 VanDerWaalsContact O-CB 3.31Å; M146-L149 WeakPolarHBondContact O-CB 3.36Å; M146-L149 PolarHBondContact O-N 3.06Å; M146-F150 HydrophobicContact CB-CE2 4.08Å; M146-F150 VanDerWaalsContact O-CD2 3.25Å; M146-F150 WeakPolarHBondContact O-CD2 3.46Å; M146-C183 HydrophobicContact CE-CB 4.01Å; M146-C183 HydrophobicContact SD-CB 3.74Å; M146-L188 HydrophobicContact CG-CD1 3.64Å; M146-L188 HydrophobicContact CG-CD2 4.3Å; M146-L188 HydrophobicContact SD-CD1 3.97Å |
| 147 | A | 90.9 | Very high | 90 | Very high | 31 Ų | 31 | 49.5 Ų | 49.5 | 26% | 0.256 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -47.2 | -45.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L135 S144 L149 F150 | L135-A147 HydrophobicContact CD2-CB 3.92Å; L135-A147 WeakPolarHBondContact CD2-O 3.18Å; S144-A147 VanDerWaalsContact O-CB 3.24Å; S144-A147 WeakPolarHBondContact O-CB 3.19Å; S144-A147 PolarHBondContact O-N 2.87Å; S144-A147 VanDerWaalsContact O-N 3.08Å; A147-L149 PolarHBondContact O-N 2.88Å; A147-L149 VanDerWaalsContact O-N 3.14Å; A147-F150 PolarHBondContact O-N 3.31Å; A147-F150 VanDerWaalsContact O-N 3.16Å |
| 148 | P | 90.8 | Very high | 90.2 | Very high | 88 Ų | 88 | 48.8 Ų | 48.8 | 57% | 0.571 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -66.2 | -15 | -179.7 | 26.3 | -36.5 | 0 | 0 | 0 | 114.3 | N145 M146 F150 I151 | N145-P148 WeakPolarHBondContact O-CD 3.47Å; M146-P148 VanDerWaalsContact C-CD 3.4Å; P148-F150 VanDerWaalsContact C-N 3.29Å; P148-I151 WeakPolarHBondContact O-CD1 3.49Å |
| 149 | L | 91.1 | Very high | 90.3 | Very high | 35 Ų | 35 | 49 Ų | 49 | 18% | 0.183 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -75.3 | -20.2 | 177.2 | -55.9 | 176.7 | 0 | 0 | 0 | 112.3 | V101 M146 A147 I151 T154 L180 L188 | V101-L149 HydrophobicContact CB-CB 4.4Å; V101-L149 HydrophobicContact CB-CD1 4.27Å; V101-L149 HydrophobicContact CG1-CB 3.93Å; V101-L149 HydrophobicContact CG2-CD1 4.13Å; M146-L149 HydrophobicContact CB-CD1 4.4Å; M146-L149 HydrophobicContact CG-CD1 4.45Å; M146-L149 VanDerWaalsContact O-CB 3.31Å; M146-L149 WeakPolarHBondContact O-CB 3.36Å; M146-L149 PolarHBondContact O-N 3.06Å; A147-L149 PolarHBondContact O-N 2.88Å; A147-L149 VanDerWaalsContact O-N 3.14Å; L149-I151 VanDerWaalsContact C-N 3.3Å; L149-I151 PolarHBondContact O-N 2.97Å; L149-T154 WeakPolarHBondContact O-CG2 3.39Å; L149-L180 HydrophobicContact CD2-CB 4.13Å; L149-L180 WeakPolarHBondContact O-CD1 3.46Å; L149-L188 HydrophobicContact CD1-CD1 4.23Å |
| 150 | F | 91.8 | Very high | 90.5 | Very high | 6 Ų | 6 | 51.1 Ų | 51.1 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | trans | -92.1 | 48.6 | -174.5 | -65.6 | -81.1 | 0 | 0 | 0 | 113.3 | V101 N131 M134 L135 L138 M146 A147 P148 T154 L156 | V101-F150 HydrophobicContact CG1-CE1 4.13Å; V101-F150 HydrophobicContact CG1-CZ 4.23Å; V101-F150 HydrophobicContact CG2-CE1 4.35Å; V101-F150 HydrophobicContact CG2-CE2 4.27Å; V101-F150 HydrophobicContact CG2-CZ 3.74Å; N131-F150 PolarHBondContact ND2-O 3.39Å; N131-F150 VanDerWaalsContact ND2-O 3.1Å; M134-F150 HydrophobicContact CB-CD1 4.27Å; M134-F150 HydrophobicContact CB-CE1 4.5Å; M134-F150 HydrophobicContact CB-CG 4.46Å; M134-F150 HydrophobicContact CE-CE1 4.22Å; M134-F150 HydrophobicContact CE-CE2 4.11Å; M134-F150 HydrophobicContact CE-CZ 3.77Å; M134-F150 HydrophobicContact CG-CD1 4.3Å; M134-F150 HydrophobicContact CG-CE1 4.14Å; L135-F150 HydrophobicContact CD2-CB 4.23Å; L138-F150 HydrophobicContact CD1-CD2 3.4Å; L138-F150 VanDerWaalsContact CD1-CD2 3.4Å; L138-F150 HydrophobicContact CD1-CE2 3.33Å; L138-F150 HydrophobicContact CD1-CG 4.44Å; L138-F150 HydrophobicContact CD1-CZ 4.31Å; M146-F150 HydrophobicContact CB-CE2 4.08Å; M146-F150 VanDerWaalsContact O-CD2 3.25Å; M146-F150 WeakPolarHBondContact O-CD2 3.46Å; A147-F150 PolarHBondContact O-N 3.31Å; A147-F150 VanDerWaalsContact O-N 3.16Å; P148-F150 VanDerWaalsContact C-N 3.29Å; F150-T154 WeakPolarHBondContact CD1-OG1 3.39Å; F150-L156 HydrophobicContact CE1-CD2 3.7Å; F150-L156 HydrophobicContact CE1-CG 4.41Å; F150-L156 HydrophobicContact CZ-CD2 3.8Å | ||
| 151 | I | 90.3 | Very high | 90.8 | Very high | 125 Ų | 125 | 50.1 Ų | 50.1 | 64% | 0.641 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -110.6 | 119.2 | 177.2 | -56.9 | 173.3 | 0 | 0 | 0 | 108.5 | P148 L149 | P148-I151 WeakPolarHBondContact O-CD1 3.49Å; L149-I151 VanDerWaalsContact C-N 3.3Å; L149-I151 PolarHBondContact O-N 2.97Å |
| 152 | G | 89.3 | Confident | 91 | Very high | 38 Ų | 38 | 51 Ų | 51 | 39% | 0.392 | 29% | 0.293 | S | S | . | . | S | Bend | trans | 84.5 | -161.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | N131 T154 | N131-G152 PolarHBondContact ND2-O 2.83Å; G152-T154 PolarHBondContact O-N 2.84Å |
| 153 | P | 91.6 | Very high | 91.2 | Very high | 84 Ų | 84 | 47.3 Ų | 47.3 | 55% | 0.545 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -71.6 | 101.4 | -178.2 | 28.7 | -33.7 | 0 | 0 | 0 | 110.6 | T104 | T104-P153 PolarHBondContact N-O 3.28Å; T104-P153 VanDerWaalsContact O-CG 3.27Å; T104-P153 WeakPolarHBondContact O-CG 3.48Å |
| 154 | T | 93.8 | Very high | 91.5 | Very high | 12 Ų | 12 | 45.6 Ų | 45.6 | 7% | 0.074 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 149.1 | -178.4 | 61.3 | 0 | 0 | 0 | 0 | 111.8 | V102 N131 L149 F150 G152 | V102-T154 CarbonylContact O-C 3.42Å; V102-T154 WeakPolarHBondContact O-CA 3.38Å; N131-T154 PolarHBondContact OD1-OG1 2.63Å; L149-T154 WeakPolarHBondContact O-CG2 3.39Å; F150-T154 WeakPolarHBondContact CD1-OG1 3.39Å; G152-T154 PolarHBondContact O-N 2.84Å |
| 155 | V | 93.7 | Very high | 91.7 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 142.4 | -175.6 | -176.8 | 0 | 0 | 0 | 0 | 108.5 | V102 T104 I126 F128 F157 | V102-V155 PolarHBondContact N-O 2.9Å; V102-V155 PolarHBondContact O-N 3.44Å; T104-V155 WeakPolarHBondContact OG1-CG2 3.27Å; I126-V155 HydrophobicContact CG2-CG1 3.27Å; F128-V155 HydrophobicContact CD1-CB 4.43Å; F128-V155 HydrophobicContact CD1-CG1 4.13Å; F128-V155 HydrophobicContact CD1-CG2 3.61Å; F128-V155 HydrophobicContact CE1-CB 4.17Å; F128-V155 HydrophobicContact CE1-CG1 3.81Å; F128-V155 HydrophobicContact CE1-CG2 3.22Å; F128-V155 HydrophobicContact CE2-CG1 4.39Å; F128-V155 HydrophobicContact CZ-CG1 3.93Å; F128-V155 HydrophobicContact CZ-CG2 4.06Å; V155-F157 HydrophobicContact CG1-CD1 4.47Å; V155-F157 HydrophobicContact CG1-CE1 4.28Å |
| 156 | L | 94.4 | Very high | 91.8 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 129 | 177.8 | -64.2 | -177.3 | 0 | 0 | 0 | 110.4 | I99 G100 V101 I126 K127 F129 M134 F150 V158 | I99-L156 HydrophobicContact CG2-CD2 4.03Å; G100-L156 WeakPolarHBondContact O-CA 3.34Å; V101-L156 HydrophobicContact CG2-CD2 3.9Å; I126-L156 WeakPolarHBondContact CA-O 3.27Å; K127-L156 HydrophobicContact CB-CB 4.36Å; K127-L156 PolarHBondContact N-O 3.41Å; K127-L156 PolarHBondContact O-N 3.37Å; F129-L156 HydrophobicContact CD2-CD1 3.84Å; F129-L156 HydrophobicContact CE2-CD1 4.26Å; M134-L156 HydrophobicContact SD-CD1 4.25Å; F150-L156 HydrophobicContact CE1-CD2 3.7Å; F150-L156 HydrophobicContact CE1-CG 4.41Å; F150-L156 HydrophobicContact CZ-CD2 3.8Å; L156-V158 HydrophobicContact CB-CG2 3.97Å |
| 157 | F | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 120.4 | 164.7 | -70.4 | -2.3 | 0 | 0 | 0 | 108.2 | I99 G100 V102 L115 L119 I124 I126 V155 M167 L171 M177 | I99-F157 CarbonylContact C-O 3.59Å; I99-F157 WeakPolarHBondContact CA-O 3.24Å; G100-F157 PolarHBondContact N-O 3.28Å; G100-F157 PolarHBondContact O-N 3Å; V102-F157 HydrophobicContact CB-CZ 4.39Å; V102-F157 HydrophobicContact CG1-CZ 4.28Å; V102-F157 HydrophobicContact CG2-CD1 4.4Å; V102-F157 HydrophobicContact CG2-CD2 3.67Å; V102-F157 HydrophobicContact CG2-CE1 4.39Å; V102-F157 HydrophobicContact CG2-CE2 3.69Å; V102-F157 HydrophobicContact CG2-CG 4.05Å; V102-F157 HydrophobicContact CG2-CZ 4.04Å; L115-F157 HydrophobicContact CD2-CZ 4.3Å; L119-F157 HydrophobicContact CD1-CD1 4.26Å; L119-F157 HydrophobicContact CD1-CD2 4.14Å; L119-F157 HydrophobicContact CD1-CE1 3.88Å; L119-F157 HydrophobicContact CD1-CE2 3.71Å; L119-F157 HydrophobicContact CD1-CG 4.4Å; L119-F157 HydrophobicContact CD1-CZ 3.58Å; I124-F157 HydrophobicContact CG2-CB 4.07Å; I126-F157 HydrophobicContact CD1-CE1 4.13Å; I126-F157 HydrophobicContact CG1-CD1 4.05Å; I126-F157 HydrophobicContact CG1-CE1 3.88Å; I126-F157 HydrophobicContact CG2-CD1 4.32Å; I126-F157 HydrophobicContact CG2-CE1 4.13Å; V155-F157 HydrophobicContact CG1-CD1 4.47Å; V155-F157 HydrophobicContact CG1-CE1 4.28Å; F157-M167 HydrophobicContact CB-SD 4.28Å; F157-M167 HydrophobicContact CD2-CG 3.81Å; F157-M167 HydrophobicContact CD2-SD 3.96Å; F157-M167 HydrophobicContact CE2-CG 4.43Å; F157-L171 HydrophobicContact CE2-CD1 4.37Å; F157-L171 HydrophobicContact CE2-CD2 3.73Å; F157-L171 HydrophobicContact CE2-CG 4.09Å; F157-L171 HydrophobicContact CZ-CD2 4.2Å; F157-M177 HydrophobicContact CE1-SD 4.11Å; F157-M177 HydrophobicContact CZ-SD 3.66Å |
| 158 | V | 95 | Very high | 92.1 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 4% | 0.036 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 130.7 | -169.6 | -171.3 | 0 | 0 | 0 | 0 | 108.7 | V92 C96 K125 K127 L156 | V92-V158 HydrophobicContact CG1-CG1 3.76Å; V92-V158 HydrophobicContact CG1-CG2 4.02Å; C96-V158 HydrophobicContact CB-CG1 3.26Å; C96-V158 WeakPolarHBondContact SG-CG1 3.27Å; K125-V158 PolarHBondContact N-O 2.91Å; K125-V158 PolarHBondContact O-N 2.9Å; K127-V158 HydrophobicContact CB-CG2 4.26Å; K127-V158 HydrophobicContact CG-CG2 3.98Å; L156-V158 HydrophobicContact CB-CG2 3.97Å |
| 159 | S | 94.6 | Very high | 92.1 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 3% | 0.028 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 144.9 | 176 | -176.1 | 0 | 0 | 0 | 0 | 111.5 | C96 K97 M98 E161 | C96-S159 WeakPolarHBondContact CB-O 3.42Å; K97-S159 PolarHBondContact N-O 2.89Å; M98-S159 VanDerWaalsContact CE-CB 3.42Å; M98-S159 PolarHBondContact N-O 2.95Å; M98-S159 VanDerWaalsContact N-O 3.13Å; M98-S159 PolarHBondContact O-N 3.48Å; S159-E161 VanDerWaalsContact CB-O 3.27Å; S159-E161 WeakPolarHBondContact CB-O 3.43Å; S159-E161 PolarHBondContact OG-N 2.82Å; S159-E161 PolarHBondContact OG-O 2.82Å |
| 160 | K | 92.7 | Very high | 92 | Very high | 127 Ų | 127 | 43.5 Ų | 43.5 | 55% | 0.552 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -68.5 | -37 | 173.5 | -68 | -172.1 | 172.9 | -169.4 | 0 | 111.9 | K97 | K97-K160 WeakPolarHBondContact CB-O 3.45Å; K97-K160 WeakPolarHBondContact CG-O 3.22Å |
| 161 | E | 90.2 | Very high | 92 | Very high | 116 Ų | 116 | 44 Ų | 44 | 54% | 0.542 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -112.5 | 144.5 | 176.8 | -66.2 | -179.1 | 165.8 | 0 | 0 | 111 | S159 K163 | S159-E161 VanDerWaalsContact CB-O 3.27Å; S159-E161 WeakPolarHBondContact CB-O 3.43Å; S159-E161 PolarHBondContact OG-N 2.82Å; S159-E161 PolarHBondContact OG-O 2.82Å; E161-K163 VanDerWaalsContact C-N 3.29Å; E161-K163 HydrophobicContact CB-CG 4.46Å; E161-K163 PolarHBondContact O-N 2.92Å; E161-K163 WeakPolarHBondContact OE2-CE 3.07Å; E161-K163 IonicContact OE2-NZ 3.71Å |
| 162 | P | 89.1 | Confident | 91.8 | Very high | 45 Ų | 45 | 47.3 Ų | 47.3 | 29% | 0.292 | 24% | 0.239 | S | C | . | . | trans | -76.1 | 73.1 | -177 | 31.5 | -35.6 | 0 | 0 | 0 | 113.4 | M98 V164 I184 Y197 | M98-P162 HydrophobicContact CB-CB 4.24Å; M98-P162 HydrophobicContact SD-CB 4.43Å; P162-V164 VanDerWaalsContact C-N 3.33Å; P162-V164 PolarHBondContact O-N 2.81Å; P162-V164 VanDerWaalsContact O-N 3.16Å; P162-I184 HydrophobicContact CB-CG2 3.95Å; P162-Y197 HydrophobicContact CB-CE1 4.43Å | ||
| 163 | K | 90.7 | Very high | 91.7 | Very high | 51 Ų | 51 | 49.7 Ų | 49.7 | 22% | 0.222 | 25% | 0.246 | C | C | . | . | trans | -87.1 | 63.9 | 177.8 | -70 | 178.5 | -174.9 | 169.9 | 0 | 112.3 | H122 D123 E161 E166 M167 | H122-K163 WeakPolarHBondContact O-CD 3.23Å; D123-K163 IonicContact OD2-NZ 3.55Å; E161-K163 VanDerWaalsContact C-N 3.29Å; E161-K163 HydrophobicContact CB-CG 4.46Å; E161-K163 PolarHBondContact O-N 2.92Å; E161-K163 WeakPolarHBondContact OE2-CE 3.07Å; E161-K163 IonicContact OE2-NZ 3.71Å; K163-E166 VanDerWaalsContact C-OE2 3.28Å; K163-E166 WeakPolarHBondContact CA-OE2 3.34Å; K163-E166 WeakPolarHBondContact CB-OE2 3.47Å; K163-M167 PolarHBondContact O-N 2.67Å | ||
| 164 | V | 91.6 | Very high | 91.3 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.9 | -35.6 | -172.9 | 178.1 | 0 | 0 | 0 | 0 | 112.6 | M98 P162 E166 M167 L168 I184 V194 Y197 | M98-V164 HydrophobicContact SD-CG2 3.59Å; M98-V164 VanDerWaalsContact SD-CG2 3.59Å; P162-V164 VanDerWaalsContact C-N 3.33Å; P162-V164 PolarHBondContact O-N 2.81Å; P162-V164 VanDerWaalsContact O-N 3.16Å; V164-E166 VanDerWaalsContact C-N 3.34Å; V164-E166 PolarHBondContact O-N 2.76Å; V164-M167 HydrophobicContact CG1-CE 4.37Å; V164-M167 WeakPolarHBondContact O-CB 3.42Å; V164-M167 PolarHBondContact O-N 2.83Å; V164-L168 HydrophobicContact CG1-CD1 4.12Å; V164-L168 HydrophobicContact CG1-CG 4.29Å; V164-L168 WeakPolarHBondContact O-CG 3.49Å; V164-L168 PolarHBondContact O-N 2.76Å; V164-I184 HydrophobicContact CG2-CD1 3.6Å; V164-V194 HydrophobicContact CG1-CG1 3.26Å; V164-Y197 HydrophobicContact CB-CD1 3.84Å; V164-Y197 HydrophobicContact CB-CE1 4.26Å; V164-Y197 HydrophobicContact CG1-CD1 4.26Å; V164-Y197 HydrophobicContact CG2-CD1 3.49Å; V164-Y197 VanDerWaalsContact CG2-CD1 3.49Å; V164-Y197 HydrophobicContact CG2-CE1 3.65Å |
| 165 | K | 91.4 | Very high | 90.7 | Very high | 150 Ų | 150 | 50.8 Ų | 50.8 | 65% | 0.652 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -64.3 | -42.8 | -176.3 | -176.4 | 177.1 | 177.3 | -178.1 | 0 | 111.2 | S169 | K165-S169 PolarHBondContact O-N 2.77Å |
| 166 | E | 91.3 | Very high | 90.4 | Very high | 59 Ų | 59 | 53.2 Ų | 53.2 | 28% | 0.276 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -72.2 | -36.4 | 178.2 | -57.2 | 89.7 | 168 | 0 | 0 | 111.8 | H122 K163 V164 S169 A170 | H122-E166 HydrophobicContact CB-CB 4.1Å; K163-E166 VanDerWaalsContact C-OE2 3.28Å; K163-E166 WeakPolarHBondContact CA-OE2 3.34Å; K163-E166 WeakPolarHBondContact CB-OE2 3.47Å; V164-E166 VanDerWaalsContact C-N 3.34Å; V164-E166 PolarHBondContact O-N 2.76Å; E166-S169 WeakPolarHBondContact CA-OG 3.42Å; E166-S169 PolarHBondContact O-N 2.95Å; E166-S169 PolarHBondContact O-OG 3.19Å; E166-A170 WeakPolarHBondContact O-CB 3.12Å; E166-A170 PolarHBondContact O-N 2.84Å |
| 167 | M | 92.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.8 | -48.7 | 172.1 | -174.4 | -173.1 | 68.6 | 0 | 0 | 111.5 | M98 I124 F157 K163 V164 S169 A170 L171 L179 V194 | M98-M167 HydrophobicContact CE-SD 4.38Å; I124-M167 HydrophobicContact CD1-CB 3.89Å; F157-M167 HydrophobicContact CB-SD 4.28Å; F157-M167 HydrophobicContact CD2-CG 3.81Å; F157-M167 HydrophobicContact CD2-SD 3.96Å; F157-M167 HydrophobicContact CE2-CG 4.43Å; K163-M167 PolarHBondContact O-N 2.67Å; V164-M167 HydrophobicContact CG1-CE 4.37Å; V164-M167 WeakPolarHBondContact O-CB 3.42Å; V164-M167 PolarHBondContact O-N 2.83Å; M167-S169 PolarHBondContact O-N 2.95Å; M167-A170 PolarHBondContact O-N 2.85Å; M167-L171 HydrophobicContact CG-CD1 4.35Å; M167-L171 WeakPolarHBondContact O-CG 3.46Å; M167-L171 PolarHBondContact O-N 2.93Å; M167-L179 HydrophobicContact CE-CD1 4.15Å; M167-L179 HydrophobicContact CE-CD2 4.14Å; M167-V194 HydrophobicContact CE-CG1 3.88Å |
| 168 | L | 92.6 | Very high | 90 | Very high | 16 Ų | 16 | 56 Ų | 56 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.6 | -34.7 | 179.5 | -70.4 | 179.2 | 0 | 0 | 0 | 112.3 | V164 L171 R172 L179 V194 V195 S198 | V164-L168 HydrophobicContact CG1-CD1 4.12Å; V164-L168 HydrophobicContact CG1-CG 4.29Å; V164-L168 WeakPolarHBondContact O-CG 3.49Å; V164-L168 PolarHBondContact O-N 2.76Å; L168-L171 HydrophobicContact CD2-CD1 4.36Å; L168-L171 PolarHBondContact O-N 2.87Å; L168-R172 WeakPolarHBondContact O-CG 3.41Å; L168-R172 PolarHBondContact O-N 3.13Å; L168-L179 HydrophobicContact CD2-CD2 3.81Å; L168-V194 HydrophobicContact CD1-CG1 4.31Å; L168-V194 HydrophobicContact CD2-CG1 4.28Å; L168-V194 HydrophobicContact CG-CG1 4.41Å; L168-V195 HydrophobicContact CD1-CG2 4.1Å; L168-S198 WeakPolarHBondContact CD1-OG 3.17Å |
| 169 | S | 91.7 | Very high | 89.9 | Confident | 58 Ų | 58 | 56.9 Ų | 56.9 | 41% | 0.406 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.2 | -39.9 | 175.6 | 71.6 | 0 | 0 | 0 | 0 | 111.3 | K165 E166 M167 R172 | K165-S169 PolarHBondContact O-N 2.77Å; E166-S169 WeakPolarHBondContact CA-OG 3.42Å; E166-S169 PolarHBondContact O-N 2.95Å; E166-S169 PolarHBondContact O-OG 3.19Å; M167-S169 PolarHBondContact O-N 2.95Å; S169-R172 PolarHBondContact O-N 3.29Å |
| 170 | A | 89.9 | Confident | 89.9 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 5% | 0.05 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L115 L119 E166 M167 R172 V173 | L115-A170 HydrophobicContact CD1-CB 4.17Å; L119-A170 HydrophobicContact CD2-CB 3.63Å; L119-A170 HydrophobicContact CG-CB 4.14Å; E166-A170 WeakPolarHBondContact O-CB 3.12Å; E166-A170 PolarHBondContact O-N 2.84Å; M167-A170 PolarHBondContact O-N 2.85Å; A170-R172 PolarHBondContact O-N 3.2Å; A170-V173 PolarHBondContact O-N 3.21Å |
| 171 | L | 89.9 | Confident | 89.9 | Confident | 15 Ų | 15 | 53.3 Ų | 53.3 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.9 | -36.6 | 176.8 | -76.3 | 171.8 | 0 | 0 | 0 | 112.9 | V102 F157 M167 L168 V173 S174 M177 L179 | V102-L171 HydrophobicContact CG1-CD2 4.29Å; F157-L171 HydrophobicContact CE2-CD1 4.37Å; F157-L171 HydrophobicContact CE2-CD2 3.73Å; F157-L171 HydrophobicContact CE2-CG 4.09Å; F157-L171 HydrophobicContact CZ-CD2 4.2Å; M167-L171 HydrophobicContact CG-CD1 4.35Å; M167-L171 WeakPolarHBondContact O-CG 3.46Å; M167-L171 PolarHBondContact O-N 2.93Å; L168-L171 HydrophobicContact CD2-CD1 4.36Å; L168-L171 PolarHBondContact O-N 2.87Å; L171-V173 PolarHBondContact O-N 3.05Å; L171-S174 CarbonylContact O-C 3.6Å; L171-S174 VanDerWaalsContact O-C 3.27Å; L171-S174 PolarHBondContact O-N 2.78Å; L171-S174 VanDerWaalsContact O-N 3.13Å; L171-M177 HydrophobicContact CD2-CB 3.69Å; L171-L179 HydrophobicContact CD1-CB 3.95Å |
| 172 | R | 87.9 | Confident | 90.1 | Very high | 195 Ų | 195 | 47.8 Ų | 47.8 | 74% | 0.736 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61 | -27.9 | 177.7 | -77.5 | 176.3 | -172.9 | 176.6 | 3.8 | 113.5 | L168 S169 A170 | L168-R172 WeakPolarHBondContact O-CG 3.41Å; L168-R172 PolarHBondContact O-N 3.13Å; S169-R172 PolarHBondContact O-N 3.29Å; A170-R172 PolarHBondContact O-N 3.2Å |
| 173 | V | 86.6 | Confident | 90.2 | Very high | 88 Ų | 88 | 45.9 Ų | 45.9 | 53% | 0.533 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -82.1 | -24.9 | 179.8 | -165 | 0 | 0 | 0 | 0 | 111.9 | A170 L171 | A170-V173 PolarHBondContact O-N 3.21Å; L171-V173 PolarHBondContact O-N 3.05Å |
| 174 | S | 83.1 | Confident | 90.3 | Very high | 12 Ų | 12 | 43.6 Ų | 43.6 | 8% | 0.084 | 23% | 0.225 | C | C | . | . | trans | -119.1 | 91.5 | 176.8 | -175.3 | 0 | 0 | 0 | 0 | 110.6 | L171 Q176 M177 | L171-S174 CarbonylContact O-C 3.6Å; L171-S174 VanDerWaalsContact O-C 3.27Å; L171-S174 PolarHBondContact O-N 2.78Å; L171-S174 VanDerWaalsContact O-N 3.13Å; S174-Q176 PolarHBondContact O-N 2.85Å; S174-Q176 VanDerWaalsContact O-N 3.12Å; S174-M177 PolarHBondContact O-N 2.9Å | ||
| 175 | P | 81.5 | Confident | 90.2 | Very high | 107 Ų | 107 | 47.5 Ų | 47.5 | 70% | 0.695 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -7.7 | -178.7 | 30.3 | -36.1 | 0 | 0 | 0 | 113.3 | M177 | P175-M177 PolarHBondContact O-N 3.16Š|
| 176 | Q | 87.3 | Confident | 90 | Very high | 56 Ų | 56 | 45.8 Ų | 45.8 | 26% | 0.262 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -16.5 | 175.6 | -65.4 | 167.7 | -3.4 | 0 | 0 | 112 | N105 C107 D111 S174 | N105-Q176 WeakPolarHBondContact CB-O 3.36Å; N105-Q176 PolarHBondContact N-O 2.82Å; N105-Q176 PolarHBondContact ND2-O 3.13Å; C107-Q176 VanDerWaalsContact CA-OE1 3.28Å; C107-Q176 HydrophobicContact CB-CB 4.24Å; C107-Q176 PolarHBondContact SG-OE1 3.2Å; D111-Q176 PolarHBondContact OD2-NE2 3.3Å; D111-Q176 VanDerWaalsContact OD2-NE2 3.1Å; D111-Q176 PolarHBondContact OD2-OE1 2.93Å; S174-Q176 PolarHBondContact O-N 2.85Å; S174-Q176 VanDerWaalsContact O-N 3.12Å |
| 177 | M | 89.6 | Confident | 90 | Very high | 7 Ų | 7 | 46.8 Ų | 46.8 | 3% | 0.034 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 122 | 176.1 | -73.6 | -151 | 176.1 | 0 | 0 | 111.4 | V102 T104 M112 L115 F157 L171 S174 P175 | V102-M177 HydrophobicContact CG1-CB 3.7Å; V102-M177 HydrophobicContact CG1-CG 4.21Å; V102-M177 HydrophobicContact CG1-SD 3.97Å; T104-M177 HydrophobicContact CG2-CE 3.88Å; M112-M177 HydrophobicContact CE-CE 3.25Å; M112-M177 HydrophobicContact SD-CE 3.39Å; M112-M177 WeakPolarHBondContact SD-CE 3.41Å; L115-M177 HydrophobicContact CD2-CE 3.82Å; L115-M177 HydrophobicContact CD2-CG 4.02Å; L115-M177 HydrophobicContact CD2-SD 3.27Å; L115-M177 WeakPolarHBondContact CD2-SD 3.42Å; F157-M177 HydrophobicContact CE1-SD 4.11Å; F157-M177 HydrophobicContact CZ-SD 3.66Å; L171-M177 HydrophobicContact CD2-CB 3.69Å; S174-M177 PolarHBondContact O-N 2.9Å; P175-M177 PolarHBondContact O-N 3.16Å |
| 178 | T | 91.3 | Very high | 90 | Very high | 54 Ų | 54 | 50.3 Ų | 50.3 | 33% | 0.331 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 123.7 | -179.5 | 52.3 | 0 | 0 | 0 | 0 | 110.3 | V102 Q103 L180 | V102-T178 CarbonylContact C-O 3.5Å; V102-T178 WeakPolarHBondContact CA-O 3.42Å; V102-T178 WeakPolarHBondContact CG1-O 3.32Å; Q103-T178 PolarHBondContact N-O 3.12Å; Q103-T178 PolarHBondContact O-N 3.46Å; T178-L180 PolarHBondContact O-N 2.96Å |
| 179 | L | 93.1 | Very high | 90 | Very high | 25 Ų | 25 | 51.7 Ų | 51.7 | 13% | 0.131 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 122.4 | 174.4 | -179.3 | 72.9 | 0 | 0 | 0 | 109.6 | V102 M167 L168 L171 V194 | V102-L179 HydrophobicContact CG2-CD1 3.89Å; M167-L179 HydrophobicContact CE-CD1 4.15Å; M167-L179 HydrophobicContact CE-CD2 4.14Å; L168-L179 HydrophobicContact CD2-CD2 3.81Å; L171-L179 HydrophobicContact CD1-CB 3.95Å; L179-V194 HydrophobicContact CD2-CB 3.9Å; L179-V194 HydrophobicContact CD2-CG1 3.72Å; L179-V194 HydrophobicContact CD2-CG2 4.17Å |
| 180 | L | 93.1 | Very high | 90.1 | Very high | 54 Ų | 54 | 52.4 Ų | 52.4 | 28% | 0.283 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -49.1 | 174.9 | -63.1 | 179.1 | 0 | 0 | 0 | 110.8 | V101 Q103 L149 T178 A191 | V101-L180 PolarHBondContact O-N 3.14Å; Q103-L180 HydrophobicContact CB-CD1 4Å; Q103-L180 HydrophobicContact CB-CD2 4.24Å; Q103-L180 HydrophobicContact CB-CG 4.02Å; L149-L180 HydrophobicContact CD2-CB 4.13Å; L149-L180 WeakPolarHBondContact O-CD1 3.46Å; T178-L180 PolarHBondContact O-N 2.96Å; L180-A191 PolarHBondContact O-N 3.49Å |
| 181 | G | 93.2 | Very high | 90.2 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.8 | 173.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V101 L189 | V101-G181 PolarHBondContact N-O 3.1Å; V101-G181 PolarHBondContact O-N 3.16Å; G181-L189 CarbonylContact C-O 3.6Å; G181-L189 VanDerWaalsContact CA-O 3.24Å; G181-L189 WeakPolarHBondContact CA-O 3.45Å |
| 182 | A | 93.8 | Very high | 90.4 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.008 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 147.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | I99 I184 L189 V194 | I99-A182 CarbonylContact O-C 3.59Å; I99-A182 VanDerWaalsContact O-CA 3.23Å; I99-A182 WeakPolarHBondContact O-CA 3.31Å; A182-I184 HydrophobicContact CB-CG1 4.47Å; A182-L189 PolarHBondContact N-O 2.91Å; A182-L189 PolarHBondContact O-N 3.06Å; A182-V194 HydrophobicContact CB-CG2 3.59Å |
| 183 | C | 92.4 | Very high | 90.7 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.034 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 122.9 | 164.6 | -168.1 | 0 | 0 | 0 | 0 | 108.2 | I99 M146 T187 | I99-C183 HydrophobicContact CB-CB 4.4Å; I99-C183 PolarHBondContact N-O 3.06Å; I99-C183 PolarHBondContact O-N 2.88Å; M146-C183 HydrophobicContact CE-CB 4.01Å; M146-C183 HydrophobicContact SD-CB 3.74Å; C183-T187 CarbonylContact C-O 3.54Å; C183-T187 WeakPolarHBondContact CA-O 3.22Å |
| 184 | I | 92.5 | Very high | 91.1 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 121.3 | 175.7 | -53.7 | -176.3 | 0 | 0 | 0 | 107.3 | K97 M98 P162 V164 A182 N186 T187 L189 Y197 | K97-I184 WeakPolarHBondContact O-CA 3.47Å; M98-I184 HydrophobicContact CG-CG1 4.39Å; P162-I184 HydrophobicContact CB-CG2 3.95Å; V164-I184 HydrophobicContact CG2-CD1 3.6Å; A182-I184 HydrophobicContact CB-CG1 4.47Å; I184-N186 PolarHBondContact O-N 3.14Å; I184-T187 PolarHBondContact N-O 3.07Å; I184-T187 WeakPolarHBondContact O-CA 3.47Å; I184-T187 WeakPolarHBondContact O-CB 3.49Å; I184-T187 PolarHBondContact O-N 3.34Å; I184-T187 PolarHBondContact O-OG1 3.19Å; I184-L189 HydrophobicContact CB-CD1 4.45Å; I184-L189 HydrophobicContact CD1-CD1 3.71Å; I184-L189 HydrophobicContact CG1-CD1 4.14Å; I184-Y197 HydrophobicContact CD1-CD1 3.95Å; I184-Y197 HydrophobicContact CD1-CD2 4.41Å; I184-Y197 HydrophobicContact CD1-CE1 4.04Å; I184-Y197 HydrophobicContact CD1-CE2 4.49Å; I184-Y197 HydrophobicContact CD1-CG 4.13Å |
| 185 | D | 89.1 | Confident | 91.5 | Very high | 84 Ų | 84 | 48.9 Ų | 48.9 | 45% | 0.449 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.6 | 48.7 | 179.3 | -62.2 | -44.2 | 0 | 0 | 0 | 112.3 | K97 T187 | K97-D185 WeakPolarHBondContact CB-OD1 3.33Å; K97-D185 PolarHBondContact O-N 3.1Å; D185-T187 PolarHBondContact O-N 3.45Å; D185-T187 VanDerWaalsContact O-N 3.16Å |
| 186 | N | 87.7 | Confident | 92.2 | Very high | 115 Ų | 115 | 52.1 Ų | 52.1 | 62% | 0.615 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 3.5 | -177.7 | -50 | -21.7 | 0 | 0 | 0 | 116.4 | Y143 I184 | Y143-N186 HydrophobicContact CE1-CB 4.38Å; Y143-N186 PolarHBondContact OH-OD1 3.14Å; I184-N186 PolarHBondContact O-N 3.14Å |
| 187 | T | 90.3 | Very high | 92.4 | Very high | 79 Ų | 79 | 53.3 Ų | 53.3 | 49% | 0.485 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 126.5 | 175.1 | 67.9 | 0 | 0 | 0 | 0 | 110.7 | C183 I184 D185 | C183-T187 CarbonylContact C-O 3.54Å; C183-T187 WeakPolarHBondContact CA-O 3.22Å; I184-T187 PolarHBondContact N-O 3.07Å; I184-T187 WeakPolarHBondContact O-CA 3.47Å; I184-T187 WeakPolarHBondContact O-CB 3.49Å; I184-T187 PolarHBondContact O-N 3.34Å; I184-T187 PolarHBondContact O-OG1 3.19Å; D185-T187 PolarHBondContact O-N 3.45Å; D185-T187 VanDerWaalsContact O-N 3.16Å |
| 188 | L | 92.8 | Very high | 92.6 | Very high | 74 Ų | 74 | 54.1 Ų | 54.1 | 39% | 0.387 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 126.3 | 176.1 | -176.8 | 61.2 | 0 | 0 | 0 | 110.1 | N145 M146 L149 | N145-L188 HydrophobicContact CB-CD2 3.8Å; M146-L188 HydrophobicContact CG-CD1 3.64Å; M146-L188 HydrophobicContact CG-CD2 4.3Å; M146-L188 HydrophobicContact SD-CD1 3.97Å; L149-L188 HydrophobicContact CD1-CD1 4.23Å |
| 189 | L | 93.5 | Very high | 92.7 | Very high | 45 Ų | 45 | 59.3 Ų | 59.3 | 24% | 0.236 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 137.4 | 178.1 | -62.9 | 176 | 0 | 0 | 0 | 110.5 | G181 A182 I184 V194 | G181-L189 CarbonylContact C-O 3.6Å; G181-L189 VanDerWaalsContact CA-O 3.24Å; G181-L189 WeakPolarHBondContact CA-O 3.45Å; A182-L189 PolarHBondContact N-O 2.91Å; A182-L189 PolarHBondContact O-N 3.06Å; I184-L189 HydrophobicContact CB-CD1 4.45Å; I184-L189 HydrophobicContact CD1-CD1 3.71Å; I184-L189 HydrophobicContact CG1-CD1 4.14Å; L189-V194 HydrophobicContact CB-CG2 3.96Å |
| 190 | S | 94 | Very high | 92.5 | Very high | 74 Ų | 74 | 63.5 Ų | 63.5 | 52% | 0.517 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 165.2 | 168.8 | 68.7 | 0 | 0 | 0 | 0 | 111 | Q192 G193 V194 | S190-Q192 PolarHBondContact O-N 3.22Å; S190-Q192 VanDerWaalsContact O-N 3.13Å; S190-G193 CarbonylContact O-C 3.46Å; S190-G193 WeakPolarHBondContact O-CA 3.36Å; S190-G193 PolarHBondContact O-N 3.13Å; S190-G193 PolarHBondContact OG-N 3.43Å; S190-V194 WeakPolarHBondContact O-CG2 3.33Å; S190-V194 PolarHBondContact O-N 3.41Å |
| 191 | A | 92.2 | Very high | 92.4 | Very high | 35 Ų | 35 | 63.8 Ų | 63.8 | 29% | 0.289 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -49.5 | -40.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L180 V194 V195 | L180-A191 PolarHBondContact O-N 3.49Å; A191-V194 PolarHBondContact O-N 3.13Å; A191-V195 WeakPolarHBondContact O-CG2 3.45Å; A191-V195 PolarHBondContact O-N 2.91Å; A191-V195 VanDerWaalsContact O-N 3.07Å |
| 192 | Q | 93.8 | Very high | 92.3 | Very high | 137 Ų | 137 | 66.9 Ų | 66.9 | 64% | 0.64 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -67.7 | -39.3 | 175.2 | -66.3 | -172.6 | -2.4 | 0 | 0 | 112.5 | S190 V194 V195 R196 | S190-Q192 PolarHBondContact O-N 3.22Å; S190-Q192 VanDerWaalsContact O-N 3.13Å; Q192-V194 VanDerWaalsContact C-N 3.3Å; Q192-V194 PolarHBondContact O-N 3.33Å; Q192-V195 PolarHBondContact O-N 3.3Å; Q192-R196 WeakPolarHBondContact O-CG 3.38Å; Q192-R196 PolarHBondContact O-N 2.81Å |
| 193 | G | 93.9 | Very high | 92.1 | Very high | 16 Ų | 16 | 72.8 Ų | 72.8 | 17% | 0.165 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S190 V195 R196 Y197 | S190-G193 CarbonylContact O-C 3.46Å; S190-G193 WeakPolarHBondContact O-CA 3.36Å; S190-G193 PolarHBondContact O-N 3.13Å; S190-G193 PolarHBondContact OG-N 3.43Å; G193-V195 PolarHBondContact O-N 2.99Å; G193-R196 PolarHBondContact O-N 3.29Å; G193-Y197 WeakPolarHBondContact O-CB 3.41Å; G193-Y197 PolarHBondContact O-N 2.93Å |
| 194 | V | 93.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 176 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | V164 M167 L168 L179 A182 L189 S190 A191 Q192 R196 Y197 S198 | V164-V194 HydrophobicContact CG1-CG1 3.26Å; M167-V194 HydrophobicContact CE-CG1 3.88Å; L168-V194 HydrophobicContact CD1-CG1 4.31Å; L168-V194 HydrophobicContact CD2-CG1 4.28Å; L168-V194 HydrophobicContact CG-CG1 4.41Å; L179-V194 HydrophobicContact CD2-CB 3.9Å; L179-V194 HydrophobicContact CD2-CG1 3.72Å; L179-V194 HydrophobicContact CD2-CG2 4.17Å; A182-V194 HydrophobicContact CB-CG2 3.59Å; L189-V194 HydrophobicContact CB-CG2 3.96Å; S190-V194 WeakPolarHBondContact O-CG2 3.33Å; S190-V194 PolarHBondContact O-N 3.41Å; A191-V194 PolarHBondContact O-N 3.13Å; Q192-V194 VanDerWaalsContact C-N 3.3Å; Q192-V194 PolarHBondContact O-N 3.33Å; V194-R196 VanDerWaalsContact C-N 3.35Å; V194-R196 PolarHBondContact O-N 3.45Å; V194-Y197 PolarHBondContact O-N 3.1Å; V194-S198 PolarHBondContact O-N 3.37Å |
| 195 | V | 93.4 | Very high | 92.2 | Very high | 53 Ų | 53 | 80.2 Ų | 80.2 | 32% | 0.321 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63 | -40.8 | 173.8 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | L168 A191 Q192 G193 S198 K199 | L168-V195 HydrophobicContact CD1-CG2 4.1Å; A191-V195 WeakPolarHBondContact O-CG2 3.45Å; A191-V195 PolarHBondContact O-N 2.91Å; A191-V195 VanDerWaalsContact O-N 3.07Å; Q192-V195 PolarHBondContact O-N 3.3Å; G193-V195 PolarHBondContact O-N 2.99Å; V195-S198 PolarHBondContact O-N 3.08Å; V195-S198 PolarHBondContact O-OG 3.13Å; V195-K199 PolarHBondContact O-N 3.41Å |
| 196 | R | 94.6 | Very high | 92.4 | Very high | 176 Ų | 176 | 78.9 Ų | 78.9 | 66% | 0.664 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -63.7 | -46.1 | 175.5 | -69.8 | 176.2 | -172.5 | -174.7 | 2.7 | 111.1 | Q192 G193 V194 S198 K199 L200 | Q192-R196 WeakPolarHBondContact O-CG 3.38Å; Q192-R196 PolarHBondContact O-N 2.81Å; G193-R196 PolarHBondContact O-N 3.29Å; V194-R196 VanDerWaalsContact C-N 3.35Å; V194-R196 PolarHBondContact O-N 3.45Å; R196-S198 VanDerWaalsContact C-N 3.27Å; R196-S198 PolarHBondContact O-N 3.44Å; R196-K199 WeakPolarHBondContact O-CB 3.25Å; R196-K199 PolarHBondContact O-N 3.38Å; R196-L200 PolarHBondContact O-N 3.02Å |
| 197 | Y | 92.9 | Very high | 92.8 | Very high | 80 Ų | 80 | 78.5 Ų | 78.5 | 31% | 0.314 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -57.3 | -40.9 | 176.7 | -171.8 | -88.6 | 0 | 0 | 0 | 111.8 | P162 V164 I184 G193 V194 K199 L200 | P162-Y197 HydrophobicContact CB-CE1 4.43Å; V164-Y197 HydrophobicContact CB-CD1 3.84Å; V164-Y197 HydrophobicContact CB-CE1 4.26Å; V164-Y197 HydrophobicContact CG1-CD1 4.26Å; V164-Y197 HydrophobicContact CG2-CD1 3.49Å; V164-Y197 VanDerWaalsContact CG2-CD1 3.49Å; V164-Y197 HydrophobicContact CG2-CE1 3.65Å; I184-Y197 HydrophobicContact CD1-CD1 3.95Å; I184-Y197 HydrophobicContact CD1-CD2 4.41Å; I184-Y197 HydrophobicContact CD1-CE1 4.04Å; I184-Y197 HydrophobicContact CD1-CE2 4.49Å; I184-Y197 HydrophobicContact CD1-CG 4.13Å; G193-Y197 WeakPolarHBondContact O-CB 3.41Å; G193-Y197 PolarHBondContact O-N 2.93Å; V194-Y197 PolarHBondContact O-N 3.1Å; Y197-K199 PolarHBondContact O-N 3.22Å; Y197-K199 VanDerWaalsContact O-N 3.15Å; Y197-L200 HydrophobicContact CD2-CD1 4.35Å; Y197-L200 WeakPolarHBondContact O-CB 3.4Å; Y197-L200 PolarHBondContact O-N 3.11Å |
| 198 | S | 92.8 | Very high | 93.1 | Very high | 24 Ų | 24 | 76.5 Ų | 76.5 | 17% | 0.168 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.7 | -20.2 | 177.8 | 78.6 | 0 | 0 | 0 | 0 | 115.3 | L168 V194 V195 R196 | L168-S198 WeakPolarHBondContact CD1-OG 3.17Å; V194-S198 PolarHBondContact O-N 3.37Å; V195-S198 PolarHBondContact O-N 3.08Å; V195-S198 PolarHBondContact O-OG 3.13Å; R196-S198 VanDerWaalsContact C-N 3.27Å; R196-S198 PolarHBondContact O-N 3.44Å |
| 199 | K | 92.8 | Very high | 93.2 | Very high | 164 Ų | 164 | 78.5 Ų | 78.5 | 71% | 0.713 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -89.9 | -14.9 | 177.3 | -65.9 | 177.1 | -179.5 | -175.9 | 0 | 112.1 | V195 R196 Y197 | V195-K199 PolarHBondContact O-N 3.41Å; R196-K199 WeakPolarHBondContact O-CB 3.25Å; R196-K199 PolarHBondContact O-N 3.38Å; Y197-K199 PolarHBondContact O-N 3.22Å; Y197-K199 VanDerWaalsContact O-N 3.15Å |
| 200 | L | 90 | Very high | 93.3 | Very high | 112 Ų | 112 | 82.1 Ų | 82.1 | 59% | 0.586 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -70.7 | 146.1 | 178.3 | -65 | 177 | 0 | 0 | 0 | 110.1 | R196 Y197 | R196-L200 PolarHBondContact O-N 3.02Å; Y197-L200 HydrophobicContact CD2-CD1 4.35Å; Y197-L200 WeakPolarHBondContact O-CB 3.4Å; Y197-L200 PolarHBondContact O-N 3.11Å |
| 201 | P | 90.6 | Very high | 93.5 | Very high | 60 Ų | 60 | 83.1 Ų | 83.1 | 39% | 0.39 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 171.1 | 173.9 | 32.3 | -34.2 | 0 | 0 | 0 | 110.8 | V205 V206 | P201-V205 HydrophobicContact CB-CB 3.97Å; P201-V205 HydrophobicContact CB-CG1 3.75Å; P201-V205 HydrophobicContact CG-CG1 4.12Å; P201-V206 HydrophobicContact CG-CG2 3.84Å |
| 202 | S | 90.7 | Very high | 93.6 | Very high | 67 Ų | 67 | 84.9 Ų | 84.9 | 47% | 0.469 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 157 | 179.3 | 60.5 | 0 | 0 | 0 | 0 | 111.8 | T204 V205 V206 | S202-T204 PolarHBondContact O-N 3.16Å; S202-T204 VanDerWaalsContact O-N 3.17Å; S202-T204 PolarHBondContact OG-OG1 3.11Å; S202-T204 VanDerWaalsContact OG-OG1 3.09Å; S202-V205 WeakPolarHBondContact O-CB 3.28Å; S202-V205 PolarHBondContact O-N 3.14Å; S202-V205 WeakPolarHBondContact OG-CG2 3.19Å; S202-V206 PolarHBondContact O-N 3.1Å |
| 203 | L | 90.4 | Very high | 93.7 | Very high | 125 Ų | 125 | 79.7 Ų | 79.7 | 65% | 0.654 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -53.6 | -39.6 | -179.6 | -178.7 | 63.4 | 0 | 0 | 0 | 112.9 | V205 V206 Q207 | L203-V205 VanDerWaalsContact C-N 3.31Å; L203-V205 PolarHBondContact O-N 2.96Å; L203-V206 PolarHBondContact O-N 3.14Å; L203-Q207 WeakPolarHBondContact O-CB 3.39Å; L203-Q207 VanDerWaalsContact O-CG 3.3Å; L203-Q207 WeakPolarHBondContact O-CG 3.28Å; L203-Q207 PolarHBondContact O-N 3.4Å |
| 204 | T | 93.2 | Very high | 93.8 | Very high | 100 Ų | 100 | 84.5 Ų | 84.5 | 61% | 0.613 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -63.4 | -36.3 | 177.5 | 51.2 | 0 | 0 | 0 | 0 | 112.8 | S202 G208 | S202-T204 PolarHBondContact O-N 3.16Å; S202-T204 VanDerWaalsContact O-N 3.17Å; S202-T204 PolarHBondContact OG-OG1 3.11Å; S202-T204 VanDerWaalsContact OG-OG1 3.09Å; T204-G208 PolarHBondContact O-N 2.9Å |
| 205 | V | 94.3 | Very high | 93.9 | Very high | 65 Ų | 65 | 88.1 Ų | 88.1 | 39% | 0.394 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -72.7 | -42.5 | 176.9 | 174.5 | 0 | 0 | 0 | 0 | 110 | P201 S202 L203 Q207 G208 E209 | P201-V205 HydrophobicContact CB-CB 3.97Å; P201-V205 HydrophobicContact CB-CG1 3.75Å; P201-V205 HydrophobicContact CG-CG1 4.12Å; S202-V205 WeakPolarHBondContact O-CB 3.28Å; S202-V205 PolarHBondContact O-N 3.14Å; S202-V205 WeakPolarHBondContact OG-CG2 3.19Å; L203-V205 VanDerWaalsContact C-N 3.31Å; L203-V205 PolarHBondContact O-N 2.96Å; V205-Q207 VanDerWaalsContact C-N 3.31Å; V205-Q207 PolarHBondContact O-N 3.45Å; V205-G208 CarbonylContact O-C 3.52Å; V205-G208 WeakPolarHBondContact O-CA 3.45Å; V205-G208 PolarHBondContact O-N 3.4Å; V205-G208 VanDerWaalsContact O-N 3.1Å; V205-E209 HydrophobicContact CG1-CG 4.47Å; V205-E209 WeakPolarHBondContact O-CG 3.49Å; V205-E209 PolarHBondContact O-N 2.84Å |
| 206 | V | 93.6 | Very high | 94.1 | Very high | 55 Ų | 55 | 91 Ų | 91 | 33% | 0.333 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 175.1 | 179.1 | 0 | 0 | 0 | 0 | 111.2 | P201 S202 L203 G208 E209 L210 | P201-V206 HydrophobicContact CG-CG2 3.84Å; S202-V206 PolarHBondContact O-N 3.1Å; L203-V206 PolarHBondContact O-N 3.14Å; V206-G208 VanDerWaalsContact C-N 3.35Å; V206-E209 PolarHBondContact O-N 2.93Å; V206-L210 WeakPolarHBondContact O-CG 3.44Å; V206-L210 PolarHBondContact O-N 3.44Å; V206-L210 VanDerWaalsContact O-N 3.1Å |
| 207 | Q | 95.1 | Very high | 94.1 | Very high | 107 Ų | 107 | 87.7 Ų | 87.7 | 50% | 0.5 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 173.9 | -72.3 | 174 | -7.2 | 0 | 0 | 111.7 | L203 V205 L210 V211 | L203-Q207 WeakPolarHBondContact O-CB 3.39Å; L203-Q207 VanDerWaalsContact O-CG 3.3Å; L203-Q207 WeakPolarHBondContact O-CG 3.28Å; L203-Q207 PolarHBondContact O-N 3.4Å; V205-Q207 VanDerWaalsContact C-N 3.31Å; V205-Q207 PolarHBondContact O-N 3.45Å; Q207-L210 PolarHBondContact O-N 3.08Å; Q207-V211 WeakPolarHBondContact O-CG2 3.34Å; Q207-V211 PolarHBondContact O-N 3.3Å |
| 208 | G | 96.4 | Very high | 94.1 | Very high | 38 Ų | 38 | 88.2 Ų | 88.2 | 39% | 0.392 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.2 | -39.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | T204 V205 V206 L210 V211 S212 | T204-G208 PolarHBondContact O-N 2.9Å; V205-G208 CarbonylContact O-C 3.52Å; V205-G208 WeakPolarHBondContact O-CA 3.45Å; V205-G208 PolarHBondContact O-N 3.4Å; V205-G208 VanDerWaalsContact O-N 3.1Å; V206-G208 VanDerWaalsContact C-N 3.35Å; G208-L210 VanDerWaalsContact C-N 3.34Å; G208-L210 PolarHBondContact O-N 2.91Å; G208-V211 PolarHBondContact O-N 3.26Å; G208-S212 VanDerWaalsContact O-CB 3.22Å; G208-S212 WeakPolarHBondContact O-CB 3.4Å; G208-S212 PolarHBondContact O-N 3.36Å |
| 209 | E | 94.9 | Very high | 94.2 | Very high | 116 Ų | 116 | 90 Ų | 90 | 54% | 0.542 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 175 | -76.5 | 177.5 | -173.7 | 0 | 0 | 111.6 | V205 V206 G213 | V205-E209 HydrophobicContact CG1-CG 4.47Å; V205-E209 WeakPolarHBondContact O-CG 3.49Å; V205-E209 PolarHBondContact O-N 2.84Å; V206-E209 PolarHBondContact O-N 2.93Å; E209-G213 PolarHBondContact O-N 3.27Å |
| 210 | L | 96.1 | Very high | 94.2 | Very high | 121 Ų | 121 | 89.8 Ų | 89.8 | 63% | 0.634 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.5 | -47 | 174.8 | -70.6 | 175.9 | 0 | 0 | 0 | 111.8 | V206 Q207 G208 S212 G213 L214 | V206-L210 WeakPolarHBondContact O-CG 3.44Å; V206-L210 PolarHBondContact O-N 3.44Å; V206-L210 VanDerWaalsContact O-N 3.1Å; Q207-L210 PolarHBondContact O-N 3.08Å; G208-L210 VanDerWaalsContact C-N 3.34Å; G208-L210 PolarHBondContact O-N 2.91Å; L210-S212 VanDerWaalsContact C-N 3.33Å; L210-S212 PolarHBondContact O-N 3.47Å; L210-G213 PolarHBondContact O-N 3.48Å; L210-L214 WeakPolarHBondContact O-CG 3.39Å; L210-L214 PolarHBondContact O-N 2.99Å |
| 211 | V | 97 | Very high | 94.4 | Very high | 95 Ų | 95 | 88.6 Ų | 88.6 | 58% | 0.576 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.7 | -43.3 | 177 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | Q207 G208 G213 L214 T215 | Q207-V211 WeakPolarHBondContact O-CG2 3.34Å; Q207-V211 PolarHBondContact O-N 3.3Å; G208-V211 PolarHBondContact O-N 3.26Å; V211-G213 VanDerWaalsContact C-N 3.31Å; V211-G213 PolarHBondContact O-N 3Å; V211-L214 PolarHBondContact O-N 3.44Å; V211-T215 PolarHBondContact O-N 3.21Å; V211-T215 VanDerWaalsContact O-N 3.07Å; V211-T215 PolarHBondContact O-OG1 3.01Å |
| 212 | S | 95.6 | Very high | 94.5 | Very high | 71 Ų | 71 | 87.6 Ų | 87.6 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.1 | -32.9 | 175.8 | -172.9 | 0 | 0 | 0 | 0 | 112.5 | G208 L210 T215 M216 | G208-S212 VanDerWaalsContact O-CB 3.22Å; G208-S212 WeakPolarHBondContact O-CB 3.4Å; G208-S212 PolarHBondContact O-N 3.36Å; L210-S212 VanDerWaalsContact C-N 3.33Å; L210-S212 PolarHBondContact O-N 3.47Å; S212-T215 WeakPolarHBondContact CA-OG1 3.24Å; S212-T215 PolarHBondContact O-N 3.44Å; S212-T215 PolarHBondContact O-OG1 3.05Å; S212-M216 VanDerWaalsContact O-CB 3.3Å; S212-M216 WeakPolarHBondContact O-CB 3.39Å; S212-M216 PolarHBondContact O-N 3.11Å |
| 213 | G | 96.3 | Very high | 94.6 | Very high | 29 Ų | 29 | 91.2 Ų | 91.2 | 30% | 0.299 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | E209 L210 V211 M216 L217 | E209-G213 PolarHBondContact O-N 3.27Å; L210-G213 PolarHBondContact O-N 3.48Å; V211-G213 VanDerWaalsContact C-N 3.31Å; V211-G213 PolarHBondContact O-N 3Å; G213-M216 WeakPolarHBondContact O-CB 3.46Å; G213-M216 PolarHBondContact O-N 3.23Å; G213-L217 WeakPolarHBondContact O-CG 3.48Å; G213-L217 PolarHBondContact O-N 3.02Å |
| 214 | L | 95.6 | Very high | 94.7 | Very high | 116 Ų | 116 | 90.8 Ų | 90.8 | 61% | 0.607 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.1 | -43.8 | 175.5 | -69.3 | 173.6 | 0 | 0 | 0 | 112 | L210 V211 M216 L217 T218 | L210-L214 WeakPolarHBondContact O-CG 3.39Å; L210-L214 PolarHBondContact O-N 2.99Å; V211-L214 PolarHBondContact O-N 3.44Å; L214-M216 VanDerWaalsContact C-N 3.31Å; L214-M216 PolarHBondContact O-N 2.91Å; L214-L217 PolarHBondContact O-N 2.99Å; L214-T218 PolarHBondContact O-N 3.45Å |
| 215 | T | 95.7 | Very high | 94.7 | Very high | 76 Ų | 76 | 92.6 Ų | 92.6 | 47% | 0.466 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.2 | -29.6 | 175.4 | 60.2 | 0 | 0 | 0 | 0 | 112.5 | V211 S212 L217 T218 S219 | V211-T215 PolarHBondContact O-N 3.21Å; V211-T215 VanDerWaalsContact O-N 3.07Å; V211-T215 PolarHBondContact O-OG1 3.01Å; S212-T215 WeakPolarHBondContact CA-OG1 3.24Å; S212-T215 PolarHBondContact O-N 3.44Å; S212-T215 PolarHBondContact O-OG1 3.05Å; T215-L217 VanDerWaalsContact C-N 3.35Å; T215-T218 WeakPolarHBondContact CA-OG1 3.47Å; T215-T218 PolarHBondContact O-N 3.44Å; T215-T218 PolarHBondContact O-OG1 2.8Å; T215-T218 VanDerWaalsContact O-OG1 3.05Å; T215-S219 VanDerWaalsContact O-CB 3.28Å; T215-S219 WeakPolarHBondContact O-CB 3.42Å; T215-S219 PolarHBondContact O-N 3.37Å; T215-S219 PolarHBondContact O-OG 2.88Å |
| 216 | M | 96.5 | Very high | 94.6 | Very high | 115 Ų | 115 | 95 Ų | 95 | 57% | 0.567 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.9 | -39.7 | 172.9 | -166.6 | -177.6 | 86.7 | 0 | 0 | 111.5 | S212 G213 L214 S219 R220 | S212-M216 VanDerWaalsContact O-CB 3.3Å; S212-M216 WeakPolarHBondContact O-CB 3.39Å; S212-M216 PolarHBondContact O-N 3.11Å; G213-M216 WeakPolarHBondContact O-CB 3.46Å; G213-M216 PolarHBondContact O-N 3.23Å; L214-M216 VanDerWaalsContact C-N 3.31Å; L214-M216 PolarHBondContact O-N 2.91Å; M216-S219 VanDerWaalsContact CA-OG 3.28Å; M216-S219 WeakPolarHBondContact CA-OG 3.23Å; M216-S219 PolarHBondContact O-OG 3.4Å; M216-R220 VanDerWaalsContact O-CB 3.26Å; M216-R220 WeakPolarHBondContact O-CB 3.37Å; M216-R220 PolarHBondContact O-N 3.11Å |
| 217 | L | 94.9 | Very high | 94.5 | Very high | 106 Ų | 106 | 97.7 Ų | 97.7 | 56% | 0.555 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.7 | -42.4 | 177.9 | -67.7 | 173.2 | 0 | 0 | 0 | 112 | G213 L214 T215 T221 | G213-L217 WeakPolarHBondContact O-CG 3.48Å; G213-L217 PolarHBondContact O-N 3.02Å; L214-L217 PolarHBondContact O-N 2.99Å; T215-L217 VanDerWaalsContact C-N 3.35Å; L217-T221 PolarHBondContact O-N 2.97Å |
| 218 | T | 94.3 | Very high | 94.4 | Very high | 90 Ų | 90 | 99.5 Ų | 99.5 | 55% | 0.552 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -72.9 | -38.4 | 177.7 | 57 | 0 | 0 | 0 | 0 | 112.5 | L214 T215 R220 T221 A222 | L214-T218 PolarHBondContact O-N 3.45Å; T215-T218 WeakPolarHBondContact CA-OG1 3.47Å; T215-T218 PolarHBondContact O-N 3.44Å; T215-T218 PolarHBondContact O-OG1 2.8Å; T215-T218 VanDerWaalsContact O-OG1 3.05Å; T218-R220 VanDerWaalsContact C-N 3.3Å; T218-R220 PolarHBondContact O-N 2.84Å; T218-T221 PolarHBondContact O-N 2.58Å; T218-T221 PolarHBondContact O-OG1 2.68Å; T218-A222 PolarHBondContact O-N 3.1Å |
| 219 | S | 93.8 | Very high | 94.3 | Very high | 62 Ų | 62 | 101.4 Ų | 101.4 | 43% | 0.434 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.3 | -33 | 174.4 | 56.5 | 0 | 0 | 0 | 0 | 112.1 | T215 M216 T221 A222 F223 | T215-S219 VanDerWaalsContact O-CB 3.28Å; T215-S219 WeakPolarHBondContact O-CB 3.42Å; T215-S219 PolarHBondContact O-N 3.37Å; T215-S219 PolarHBondContact O-OG 2.88Å; M216-S219 VanDerWaalsContact CA-OG 3.28Å; M216-S219 WeakPolarHBondContact CA-OG 3.23Å; M216-S219 PolarHBondContact O-OG 3.4Å; S219-T221 VanDerWaalsContact C-N 3.35Å; S219-T221 PolarHBondContact O-N 3.02Å; S219-A222 PolarHBondContact O-N 2.99Å; S219-F223 VanDerWaalsContact O-CB 3.24Å; S219-F223 WeakPolarHBondContact O-CB 3.46Å; S219-F223 PolarHBondContact O-N 2.84Å |
| 220 | R | 93.9 | Very high | 94.2 | Very high | 159 Ų | 159 | 98.6 Ų | 98.6 | 60% | 0.6 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.6 | -39 | 176.4 | -176.1 | 169.5 | -179.5 | 127.6 | -0.9 | 112.5 | M216 T218 M224 | M216-R220 VanDerWaalsContact O-CB 3.26Å; M216-R220 WeakPolarHBondContact O-CB 3.37Å; M216-R220 PolarHBondContact O-N 3.11Å; T218-R220 VanDerWaalsContact C-N 3.3Å; T218-R220 PolarHBondContact O-N 2.84Å; R220-M224 HydrophobicContact CG-CE 4Å; R220-M224 WeakPolarHBondContact O-CG 3.41Å; R220-M224 PolarHBondContact O-N 3.09Å |
| 221 | T | 93.3 | Very high | 94.1 | Very high | 88 Ų | 88 | 97.9 Ų | 97.9 | 54% | 0.54 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -71.7 | -42.5 | 175.8 | 57.2 | 0 | 0 | 0 | 0 | 111.5 | L217 T218 S219 F223 M224 L225 | L217-T221 PolarHBondContact O-N 2.97Å; T218-T221 PolarHBondContact O-N 2.58Å; T218-T221 PolarHBondContact O-OG1 2.68Å; S219-T221 VanDerWaalsContact C-N 3.35Å; S219-T221 PolarHBondContact O-N 3.02Å; T221-F223 VanDerWaalsContact C-N 3.3Å; T221-F223 PolarHBondContact O-N 3.45Å; T221-M224 PolarHBondContact O-N 2.8Å; T221-L225 PolarHBondContact O-N 3.1Å |
| 222 | A | 92.9 | Very high | 94 | Very high | 38 Ų | 38 | 98.2 Ų | 98.2 | 31% | 0.314 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.4 | -41.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T218 S219 M224 L225 Q226 | T218-A222 PolarHBondContact O-N 3.1Å; S219-A222 PolarHBondContact O-N 2.99Å; A222-M224 PolarHBondContact O-N 3.12Å; A222-L225 PolarHBondContact O-N 2.83Å; A222-Q226 WeakPolarHBondContact O-CB 3.49Å; A222-Q226 VanDerWaalsContact O-CG 3.27Å; A222-Q226 WeakPolarHBondContact O-CG 3.4Å; A222-Q226 PolarHBondContact O-N 3.47Å |
| 223 | F | 93.2 | Very high | 94 | Very high | 143 Ų | 143 | 97.5 Ų | 97.5 | 63% | 0.627 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.4 | -42.5 | 177.2 | -178.9 | -98.2 | 0 | 0 | 0 | 112.3 | S219 T221 L225 Q226 H227 | S219-F223 VanDerWaalsContact O-CB 3.24Å; S219-F223 WeakPolarHBondContact O-CB 3.46Å; S219-F223 PolarHBondContact O-N 2.84Å; T221-F223 VanDerWaalsContact C-N 3.3Å; T221-F223 PolarHBondContact O-N 3.45Å; F223-L225 VanDerWaalsContact C-N 3.29Å; F223-L225 PolarHBondContact O-N 3.25Å; F223-Q226 PolarHBondContact O-N 2.96Å; F223-H227 PolarHBondContact O-N 2.76Å |
| 224 | M | 92.7 | Very high | 94 | Very high | 117 Ų | 117 | 98.4 Ų | 98.4 | 58% | 0.576 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.3 | -38.8 | 175.5 | -69.7 | -175.7 | -163.5 | 0 | 0 | 112.1 | R220 T221 A222 | R220-M224 HydrophobicContact CG-CE 4Å; R220-M224 WeakPolarHBondContact O-CG 3.41Å; R220-M224 PolarHBondContact O-N 3.09Å; T221-M224 PolarHBondContact O-N 2.8Å; A222-M224 PolarHBondContact O-N 3.12Å |
| 225 | L | 92.3 | Very high | 94 | Very high | 137 Ų | 137 | 97 Ų | 97 | 72% | 0.717 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -74.2 | -33.4 | 176.8 | -65.4 | 175 | 0 | 0 | 0 | 112.7 | T221 A222 F223 H227 P229 | T221-L225 PolarHBondContact O-N 3.1Å; A222-L225 PolarHBondContact O-N 2.83Å; F223-L225 VanDerWaalsContact C-N 3.29Å; F223-L225 PolarHBondContact O-N 3.25Å; L225-H227 VanDerWaalsContact C-N 3.27Å; L225-H227 PolarHBondContact O-N 2.99Å; L225-P229 VanDerWaalsContact O-CD 3.29Å; L225-P229 WeakPolarHBondContact O-CD 3.47Å |
| 226 | Q | 92.3 | Very high | 94 | Very high | 117 Ų | 117 | 98.3 Ų | 98.3 | 55% | 0.547 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72.3 | -16.3 | -179.6 | -77.1 | 176.6 | -3.2 | 0 | 0 | 113.9 | A222 F223 H228 P229 A230 | A222-Q226 WeakPolarHBondContact O-CB 3.49Å; A222-Q226 VanDerWaalsContact O-CG 3.27Å; A222-Q226 WeakPolarHBondContact O-CG 3.4Å; A222-Q226 PolarHBondContact O-N 3.47Å; F223-Q226 PolarHBondContact O-N 2.96Å; Q226-H228 PolarHBondContact O-N 3.03Å; Q226-P229 VanDerWaalsContact O-CD 3.28Å; Q226-P229 WeakPolarHBondContact O-CD 3.44Å; Q226-P229 WeakPolarHBondContact O-CG 3.33Å; Q226-A230 VanDerWaalsContact O-CB 3.26Å; Q226-A230 WeakPolarHBondContact O-CB 3.12Å; Q226-A230 PolarHBondContact O-N 3.07Å; Q226-A230 VanDerWaalsContact O-N 3.11Å |
| 227 | H | 92.2 | Very high | 93.9 | Very high | 111 Ų | 111 | 98.8 Ų | 98.8 | 51% | 0.514 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -56.8 | -45.2 | -179.6 | -177.7 | -90 | 0 | 0 | 0 | 113 | F223 L225 H231 | F223-H227 PolarHBondContact O-N 2.76Å; L225-H227 VanDerWaalsContact C-N 3.27Å; L225-H227 PolarHBondContact O-N 2.99Å; H227-H231 WeakPolarHBondContact O-CB 3.1Å; H227-H231 PolarHBondContact O-N 3.14Å |
| 228 | H | 91.9 | Very high | 93.9 | Very high | 144 Ų | 144 | 98.4 Ų | 98.4 | 67% | 0.667 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.1 | -51.1 | -179 | -68.7 | -41.4 | 0 | 0 | 0 | 114.7 | Q226 A230 H231 L232 | Q226-H228 PolarHBondContact O-N 3.03Å; H228-A230 VanDerWaalsContact C-N 3.31Å; H228-A230 PolarHBondContact O-N 3.32Å; H228-H231 PolarHBondContact O-N 3.01Å; H228-L232 PolarHBondContact O-N 3.39Å |
| 229 | P | 94.1 | Very high | 93.9 | Very high | 79 Ų | 79 | 100.7 Ų | 100.7 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64 | -35.2 | 177.2 | 22.2 | -31.8 | 0 | 0 | 0 | 112.6 | L225 Q226 L232 S233 | L225-P229 VanDerWaalsContact O-CD 3.29Å; L225-P229 WeakPolarHBondContact O-CD 3.47Å; Q226-P229 VanDerWaalsContact O-CD 3.28Å; Q226-P229 WeakPolarHBondContact O-CD 3.44Å; Q226-P229 WeakPolarHBondContact O-CG 3.33Å; P229-L232 PolarHBondContact O-N 3.02Å; P229-S233 PolarHBondContact O-N 2.94Å; P229-S233 PolarHBondContact O-OG 3.45Å |
| 230 | A | 92.9 | Very high | 93.9 | Very high | 56 Ų | 56 | 103.2 Ų | 103.2 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66 | -38.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q226 H228 S233 A234 | Q226-A230 VanDerWaalsContact O-CB 3.26Å; Q226-A230 WeakPolarHBondContact O-CB 3.12Å; Q226-A230 PolarHBondContact O-N 3.07Å; Q226-A230 VanDerWaalsContact O-N 3.11Å; H228-A230 VanDerWaalsContact C-N 3.31Å; H228-A230 PolarHBondContact O-N 3.32Å; A230-S233 PolarHBondContact O-OG 2.84Å; A230-A234 WeakPolarHBondContact O-CB 3.41Å; A230-A234 PolarHBondContact O-N 2.99Å; A230-A234 VanDerWaalsContact O-N 3.14Å |
| 231 | H | 94.4 | Very high | 93.7 | Very high | 106 Ų | 106 | 103.3 Ų | 103.3 | 49% | 0.491 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.1 | -42 | 175.8 | -174.2 | -93.7 | 0 | 0 | 0 | 111.9 | H227 H228 A234 L235 | H227-H231 WeakPolarHBondContact O-CB 3.1Å; H227-H231 PolarHBondContact O-N 3.14Å; H228-H231 PolarHBondContact O-N 3.01Å; H231-A234 PolarHBondContact O-N 3.39Å; H231-L235 WeakPolarHBondContact O-CG 3.37Å; H231-L235 PolarHBondContact O-N 3.36Å |
| 232 | L | 95.7 | Very high | 93.4 | Very high | 102 Ų | 102 | 104.8 Ų | 104.8 | 53% | 0.534 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64 | -45.9 | 178 | -165.8 | 161.9 | 0 | 0 | 0 | 111.2 | H228 P229 A234 L235 L236 | H228-L232 PolarHBondContact O-N 3.39Å; P229-L232 PolarHBondContact O-N 3.02Å; L232-A234 VanDerWaalsContact C-N 3.29Å; L232-A234 PolarHBondContact O-N 3.21Å; L232-L235 PolarHBondContact O-N 3.33Å; L232-L236 HydrophobicContact CD2-CD1 3.42Å; L232-L236 VanDerWaalsContact CD2-CD1 3.42Å; L232-L236 HydrophobicContact CD2-CG 3.85Å; L232-L236 PolarHBondContact O-N 3.46Å |
| 233 | S | 95.9 | Very high | 92.5 | Very high | 57 Ų | 57 | 109.3 Ų | 109.3 | 40% | 0.399 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.7 | -38.3 | 177.9 | 65.4 | 0 | 0 | 0 | 0 | 112.1 | P229 A230 L236 Q237 | P229-S233 PolarHBondContact O-N 2.94Å; P229-S233 PolarHBondContact O-OG 3.45Å; A230-S233 PolarHBondContact O-OG 2.84Å; S233-L236 PolarHBondContact O-N 3.43Å; S233-Q237 WeakPolarHBondContact O-CB 3.12Å; S233-Q237 WeakPolarHBondContact O-CG 3.41Å; S233-Q237 PolarHBondContact O-N 3.36Å |
| 234 | A | 95.5 | Very high | 91 | Very high | 48 Ų | 48 | 106.4 Ų | 106.4 | 40% | 0.397 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | A230 H231 L232 Q237 Q238 | A230-A234 WeakPolarHBondContact O-CB 3.41Å; A230-A234 PolarHBondContact O-N 2.99Å; A230-A234 VanDerWaalsContact O-N 3.14Å; H231-A234 PolarHBondContact O-N 3.39Å; L232-A234 VanDerWaalsContact C-N 3.29Å; L232-A234 PolarHBondContact O-N 3.21Å; A234-Q237 PolarHBondContact O-N 3.49Å; A234-Q238 WeakPolarHBondContact O-CB 3.35Å; A234-Q238 PolarHBondContact O-N 3.3Å |
| 235 | L | 96.3 | Very high | 89.1 | Confident | 87 Ų | 87 | 105.6 Ų | 105.6 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 176.5 | -72.2 | 179.2 | 0 | 0 | 0 | 112.6 | H231 L232 Q238 Y239 | H231-L235 WeakPolarHBondContact O-CG 3.37Å; H231-L235 PolarHBondContact O-N 3.36Å; L232-L235 PolarHBondContact O-N 3.33Å; L235-Q238 WeakPolarHBondContact O-CB 3.47Å; L235-Q238 PolarHBondContact O-N 3.2Å; L235-Y239 PolarHBondContact O-N 3.24Å |
| 236 | L | 95.1 | Very high | 86.9 | Confident | 102 Ų | 102 | 107.2 Ų | 107.2 | 53% | 0.534 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.4 | -43 | 176.4 | -70.7 | 177.4 | 0 | 0 | 0 | 111.6 | L232 S233 Q238 Y239 I240 | L232-L236 HydrophobicContact CD2-CD1 3.42Å; L232-L236 VanDerWaalsContact CD2-CD1 3.42Å; L232-L236 HydrophobicContact CD2-CG 3.85Å; L232-L236 PolarHBondContact O-N 3.46Å; S233-L236 PolarHBondContact O-N 3.43Å; L236-Q238 VanDerWaalsContact C-N 3.28Å; L236-Q238 PolarHBondContact O-N 3.26Å; L236-Y239 PolarHBondContact O-N 3.14Å; L236-I240 WeakPolarHBondContact O-CG1 3.46Å; L236-I240 PolarHBondContact O-N 2.72Å |
| 237 | Q | 94.3 | Very high | 84.7 | Confident | 126 Ų | 126 | 105.4 Ų | 105.4 | 59% | 0.589 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.3 | -38.5 | 173.8 | -75.5 | 180 | -8.8 | 0 | 0 | 112 | S233 A234 Y239 K241 | S233-Q237 WeakPolarHBondContact O-CB 3.12Å; S233-Q237 WeakPolarHBondContact O-CG 3.41Å; S233-Q237 PolarHBondContact O-N 3.36Å; A234-Q237 PolarHBondContact O-N 3.49Å; Q237-Y239 VanDerWaalsContact C-N 3.35Å; Q237-K241 WeakPolarHBondContact O-CG 3.45Å; Q237-K241 PolarHBondContact O-N 2.93Å; Q237-K241 VanDerWaalsContact O-N 3.1Å |
| 238 | Q | 94.6 | Very high | 82.2 | Confident | 98 Ų | 98 | 104.3 Ų | 104.3 | 46% | 0.458 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.4 | -40.6 | 174.6 | -173.8 | 177 | -8.6 | 0 | 0 | 111.5 | A234 L235 L236 K241 Q242 | A234-Q238 WeakPolarHBondContact O-CB 3.35Å; A234-Q238 PolarHBondContact O-N 3.3Å; L235-Q238 WeakPolarHBondContact O-CB 3.47Å; L235-Q238 PolarHBondContact O-N 3.2Å; L236-Q238 VanDerWaalsContact C-N 3.28Å; L236-Q238 PolarHBondContact O-N 3.26Å; Q238-K241 PolarHBondContact O-N 3.34Å; Q238-Q242 WeakPolarHBondContact O-CG 3.47Å; Q238-Q242 PolarHBondContact O-N 3.36Å |
| 239 | Y | 93.9 | Very high | 79.9 | Confident | 137 Ų | 137 | 101.7 Ų | 101.7 | 54% | 0.537 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.2 | -42.3 | 177.9 | -157.5 | -96.7 | 0 | 0 | 0 | 112.2 | L235 L236 Q237 K241 Q242 Q243 | L235-Y239 PolarHBondContact O-N 3.24Å; L236-Y239 PolarHBondContact O-N 3.14Å; Q237-Y239 VanDerWaalsContact C-N 3.35Å; Y239-K241 VanDerWaalsContact C-N 3.33Å; Y239-K241 PolarHBondContact O-N 3.39Å; Y239-Q242 PolarHBondContact O-N 2.95Å; Y239-Q242 VanDerWaalsContact O-N 3.12Å; Y239-Q243 HydrophobicContact CD1-CG 4.05Å; Y239-Q243 VanDerWaalsContact CE1-CD 3.46Å; Y239-Q243 HydrophobicContact CE1-CG 3.89Å; Y239-Q243 WeakPolarHBondContact O-CB 3.35Å; Y239-Q243 PolarHBondContact O-N 3.24Å |
| 240 | I | 94.3 | Very high | 77.3 | Confident | 116 Ų | 116 | 107.2 Ų | 107.2 | 60% | 0.595 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -59.1 | -44.7 | 173.8 | -66.8 | 165.8 | 0 | 0 | 0 | 110.6 | L236 Q242 Q243 S244 | L236-I240 WeakPolarHBondContact O-CG1 3.46Å; L236-I240 PolarHBondContact O-N 2.72Å; I240-Q242 VanDerWaalsContact C-N 3.28Å; I240-Q242 PolarHBondContact O-N 2.93Å; I240-Q243 PolarHBondContact O-N 2.98Å; I240-S244 PolarHBondContact O-N 3.06Å |
| 241 | K | 90.4 | Very high | 74.6 | Confident | 160 Ų | 160 | 109.2 Ų | 109.2 | 70% | 0.696 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64.9 | -28.3 | 176 | -75.6 | 179.6 | 177.2 | -179.6 | 0 | 113.8 | Q237 Q238 Y239 S244 | Q237-K241 WeakPolarHBondContact O-CG 3.45Å; Q237-K241 PolarHBondContact O-N 2.93Å; Q237-K241 VanDerWaalsContact O-N 3.1Å; Q238-K241 PolarHBondContact O-N 3.34Å; Y239-K241 VanDerWaalsContact C-N 3.33Å; Y239-K241 PolarHBondContact O-N 3.39Å; K241-S244 PolarHBondContact O-OG 3.2Å |
| 242 | Q | 86.1 | Confident | 72 | Confident | 119 Ų | 119 | 110.1 Ų | 110.1 | 56% | 0.556 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -83.4 | -30.6 | 177 | -74.2 | 175.4 | -13.3 | 0 | 0 | 112.4 | Q238 Y239 I240 S244 P245 | Q238-Q242 WeakPolarHBondContact O-CG 3.47Å; Q238-Q242 PolarHBondContact O-N 3.36Å; Y239-Q242 PolarHBondContact O-N 2.95Å; Y239-Q242 VanDerWaalsContact O-N 3.12Å; I240-Q242 VanDerWaalsContact C-N 3.28Å; I240-Q242 PolarHBondContact O-N 2.93Å; Q242-S244 PolarHBondContact O-N 3.26Å; Q242-P245 WeakPolarHBondContact O-CD 3.37Å |
| 243 | Q | 75.1 | Confident | 69.3 | Low | 133 Ų | 133 | 111.5 Ų | 111.5 | 62% | 0.621 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.4 | -7.8 | 171.4 | -82.6 | -174.3 | -36.6 | 0 | 0 | 113.6 | Y239 I240 P245 | Y239-Q243 HydrophobicContact CD1-CG 4.05Å; Y239-Q243 VanDerWaalsContact CE1-CD 3.46Å; Y239-Q243 HydrophobicContact CE1-CG 3.89Å; Y239-Q243 WeakPolarHBondContact O-CB 3.35Å; Y239-Q243 PolarHBondContact O-N 3.24Å; I240-Q243 PolarHBondContact O-N 2.98Å; Q243-P245 WeakPolarHBondContact O-CD 2.95Å |
| 244 | S | 60.6 | Low | 66.4 | Low | 82 Ų | 82 | 118.5 Ų | 118.5 | 57% | 0.573 | 68% | 0.679 | S | S | * | * | trans | -94.5 | 67 | 163.9 | 56.7 | 0 | 0 | 0 | 0 | 113.3 | I240 K241 Q242 | I240-S244 PolarHBondContact O-N 3.06Å; K241-S244 PolarHBondContact O-OG 3.2Å; Q242-S244 PolarHBondContact O-N 3.26Å | ||
| 245 | P | 53.5 | Low | 63.6 | Low | 101 Ų | 101 | 119.6 Ų | 119.6 | 66% | 0.656 | 70% | 0.695 | S | S | * | * | trans | -98.3 | 80.9 | 153.4 | 35.6 | -20 | 0 | 0 | 0 | 108.3 | Q242 Q243 | Q242-P245 WeakPolarHBondContact O-CD 3.37Å; Q243-P245 WeakPolarHBondContact O-CD 2.95Å | ||
| 246 | D | 46.6 | Very low | 60.7 | Low | 170 Ų | 170 | 124.1 Ų | 124.1 | 91% | 0.909 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 158.6 | 92.1 | 149.9 | -91.1 | -13.5 | 0 | 0 | 0 | 109 | ||
| 247 | G | 44.7 | Very low | 57.8 | Low | 79 Ų | 79 | 128.1 Ų | 128.1 | 81% | 0.814 | 73% | 0.73 | S | S | * | * | trans | -176.3 | 23.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 248 | G | 39.6 | Very low | 55.1 | Low | 89 Ų | 89 | 126.5 Ų | 126.5 | 92% | 0.918 | 74% | 0.738 | S | S | * | * | trans | -106.2 | 46.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 249 | A | 44.2 | Very low | 52.4 | Low | 89 Ų | 89 | 131.2 Ų | 131.2 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -140.6 | 118.8 | 156.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||
| 250 | E | 40.2 | Very low | 50.3 | Low | 194 Ų | 194 | 130.9 Ų | 130.9 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | trans | 68.6 | 107.1 | 171.3 | -61.1 | -174 | 157.9 | 0 | 0 | 118.4 | ||||
| 251 | A | 36.8 | Very low | 48 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | -173.8 | 122.3 | 110.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 252 | T | 38.6 | Very low | 45.6 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 76% | 0.761 | 81% | 0.811 | S | S | * | * | trans | -46.7 | 146.6 | 166.4 | 47.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 253 | P | 39.7 | Very low | 43.2 | Very low | 132 Ų | 132 | 130.8 Ų | 130.8 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | trans | -87.5 | 109.9 | 158 | 30.5 | -21.5 | 0 | 0 | 0 | 109.7 | ||||
| 254 | K | 34.5 | Very low | 41.2 | Very low | 203 Ų | 203 | 130.6 Ų | 130.6 | 88% | 0.883 | 84% | 0.839 | S | S | * | * | trans | -71.2 | 142.1 | 150 | -82.2 | -178.2 | 172.2 | -179.8 | 0 | 107.8 | ||||
| 255 | G | 37.6 | Very low | 39.9 | Very low | 71 Ų | 71 | 133.9 Ų | 133.9 | 73% | 0.732 | 86% | 0.856 | S | S | * | * | trans | -83.8 | -152.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 256 | E | 33.9 | Very low | 39 | Very low | 183 Ų | 183 | 136.2 Ų | 136.2 | 86% | 0.855 | 87% | 0.871 | S | S | * | * | trans | 92 | 103.9 | 178.6 | -68.2 | 171.3 | 169.1 | 0 | 0 | 114.8 | ||||
| 257 | E | 33.8 | Very low | 38.4 | Very low | 185 Ų | 185 | 133.6 Ų | 133.6 | 86% | 0.864 | 87% | 0.868 | S | S | * | * | 78.7 | 115 | 86.6 | -84.9 | -169.5 | 170.7 | 0 | 0 | 113.3 | |||||
| 258 | A | 38 | Very low | 37.9 | Very low | 92 Ų | 92 | 138.2 Ų | 138.2 | 76% | 0.76 | 87% | 0.872 | S | S | * | * | 170.7 | 122.3 | 125 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 259 | S | 37.3 | Very low | 37.7 | Very low | 197 Ų | 197 | 142.6 Ų | 142.6 | 100% | 1.378 | 87% | 0.868 | S | S | * | * | trans | 50.6 | 0 | 133.3 | -50.3 | 0 | 0 | 0 | 0 | 121.2 |
Retrieved 259 of 259 residues in 107.7 ms
(Link to these results)