| 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 | 43.2 | Very low | 43.2 | Very low | 251 Ų | 251 | 140.3 Ų | 140.3 | 100% | 1.236 | 85% | 0.852 | S | S | * | * | 0 | 110.7 | 0 | -66.5 | -157 | -81.4 | 0 | 0 | 107.5 | |||||
| 2 | A | 40 | Very low | 43.1 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 88% | 0.884 | 84% | 0.835 | S | S | * | * | trans | -129 | 126.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 3 | T | 42.3 | Very low | 43 | Very low | 146 Ų | 146 | 132.9 Ų | 132.9 | 90% | 0.896 | 82% | 0.824 | S | S | * | * | trans | -77.1 | 147.3 | -173.9 | 40.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 4 | A | 43.3 | Very low | 43 | Very low | 91 Ų | 91 | 135.8 Ų | 135.8 | 75% | 0.752 | 83% | 0.83 | S | S | * | * | trans | -69.3 | 153.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 5 | L | 43.3 | Very low | 42.8 | Very low | 175 Ų | 175 | 136.7 Ų | 136.7 | 92% | 0.916 | 83% | 0.828 | S | S | * | * | trans | -143.2 | 114.1 | 143.4 | -82.9 | 178.6 | 0 | 0 | 0 | 109.8 | S7 | L5-S7 PolarHBondContact O-N 2.93Š| ||
| 6 | V | 47.1 | Very low | 42.8 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 84% | 0.836 | 83% | 0.832 | S | S | * | * | trans | -64.4 | 122.1 | 164 | 146.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 7 | S | 41.5 | Very low | 42.7 | Very low | 93 Ų | 93 | 140.2 Ų | 140.2 | 65% | 0.65 | 83% | 0.825 | S | S | * | * | trans | -93.5 | 97.6 | 168.5 | -163.7 | 0 | 0 | 0 | 0 | 108.9 | L5 H9 | L5-S7 PolarHBondContact O-N 2.93Å; S7-H9 PolarHBondContact O-N 3.19Å; S7-H9 PolarHBondContact O-ND1 3.43Å | ||
| 8 | A | 44.5 | Very low | 43.4 | Very low | 86 Ų | 86 | 144.3 Ų | 144.3 | 71% | 0.711 | 83% | 0.831 | S | S | * | * | trans | -71.5 | 111.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | S10 | A8-S10 PolarHBondContact O-N 3.02Š| ||
| 9 | H | 43.9 | Very low | 43.5 | Very low | 169 Ų | 169 | 144.4 Ų | 144.4 | 78% | 0.782 | 82% | 0.823 | S | S | * | * | trans | -75.1 | 111.3 | 170.5 | -68.8 | 74.6 | 0 | 0 | 0 | 108 | S7 L11 | S7-H9 PolarHBondContact O-N 3.19Å; S7-H9 PolarHBondContact O-ND1 3.43Å; H9-L11 PolarHBondContact O-N 3.05Å | ||
| 10 | S | 40.9 | Very low | 43.8 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | trans | -60.5 | 113.6 | 174.3 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | A8 | A8-S10 PolarHBondContact O-N 3.02Š| ||
| 11 | L | 44.9 | Very low | 43.4 | Very low | 169 Ų | 169 | 141.9 Ų | 141.9 | 89% | 0.885 | 82% | 0.822 | S | S | * | * | trans | -82.5 | 111.3 | 168.8 | -114.1 | 125.8 | 0 | 0 | 0 | 108.1 | H9 | H9-L11 PolarHBondContact O-N 3.05Š| ||
| 12 | A | 41.9 | Very low | 43.6 | Very low | 78 Ų | 78 | 140.8 Ų | 140.8 | 65% | 0.645 | 80% | 0.804 | S | S | * | * | trans | -63 | 139.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L14 | A12-L14 PolarHBondContact O-N 2.95Š| ||
| 13 | P | 42.5 | Very low | 43.9 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | trans | -74.9 | 120.4 | 174.1 | 27.3 | -29.7 | 0 | 0 | 0 | 110.4 | N15 | P13-N15 PolarHBondContact O-N 3.03Š| ||
| 14 | L | 42.7 | Very low | 44.2 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | trans | -64.7 | 101.3 | 170.3 | -66.3 | 175.6 | 0 | 0 | 0 | 109 | A12 L16 | A12-L14 PolarHBondContact O-N 2.95Å; L14-L16 PolarHBondContact O-N 3.43Å | ||
| 15 | N | 39.6 | Very low | 44.6 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | trans | -73.5 | 90.2 | 169.1 | -89.8 | -90.7 | 0 | 0 | 0 | 108.8 | P13 K17 | P13-N15 PolarHBondContact O-N 3.03Å; N15-K17 VanDerWaalsContact C-N 3.34Å; N15-K17 PolarHBondContact O-N 3.39Å | ||
| 16 | L | 43 | Very low | 44.6 | Very low | 170 Ų | 170 | 138.4 Ų | 138.4 | 89% | 0.89 | 75% | 0.753 | S | S | * | * | trans | -75.1 | 91.6 | 168.7 | -166.2 | 68 | 0 | 0 | 0 | 108.2 | L14 K18 | L14-L16 PolarHBondContact O-N 3.43Å; L16-K18 PolarHBondContact O-N 2.88Å; L16-K18 VanDerWaalsContact O-N 3.08Å | ||
| 17 | K | 41.2 | Very low | 44.4 | Very low | 163 Ų | 163 | 135.9 Ų | 135.9 | 71% | 0.709 | 74% | 0.735 | S | S | * | * | trans | -62.4 | 108.9 | 177.8 | -150.5 | 179.1 | -173.8 | -138.3 | 0 | 108.8 | N15 E19 | N15-K17 VanDerWaalsContact C-N 3.34Å; N15-K17 PolarHBondContact O-N 3.39Å; K17-E19 WeakPolarHBondContact CE-OE1 3.3Å; K17-E19 HydrophobicContact CG-CG 4.48Å; K17-E19 IonicContact NZ-OE1 3.66Å; K17-E19 PolarHBondContact NZ-OE1 3.04Å; K17-E19 PolarHBondContact O-N 3.45Å | ||
| 18 | K | 56.1 | Low | 44.8 | Very low | 214 Ų | 214 | 137.9 Ų | 137.9 | 93% | 0.93 | 73% | 0.734 | S | S | * | * | trans | -69.7 | 88.5 | 173.4 | -119.8 | -177.2 | -178.3 | -178.6 | 0 | 108.5 | L16 | L16-K18 PolarHBondContact O-N 2.88Å; L16-K18 VanDerWaalsContact O-N 3.08Å | ||
| 19 | E | 44.2 | Very low | 44.9 | Very low | 146 Ų | 146 | 139.8 Ų | 139.8 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | trans | -131.3 | 112.2 | 168.2 | -72 | -168.1 | -147.9 | 0 | 0 | 110.3 | K17 | K17-E19 WeakPolarHBondContact CE-OE1 3.3Å; K17-E19 HydrophobicContact CG-CG 4.48Å; K17-E19 IonicContact NZ-OE1 3.66Å; K17-E19 PolarHBondContact NZ-OE1 3.04Å; K17-E19 PolarHBondContact O-N 3.45Å | ||
| 20 | G | 50 | Low | 45 | Very low | 78 Ų | 78 | 133.7 Ų | 133.7 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | trans | 80 | 52.2 | 146.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 21 | L | 34.8 | Very low | 45 | Very low | 157 Ų | 157 | 131.6 Ų | 131.6 | 82% | 0.822 | 68% | 0.682 | S | S | * | * | trans | -101.4 | 81.6 | 153.3 | -150.1 | 72.1 | 0 | 0 | 0 | 109.2 | V23 | L21-V23 HydrophobicContact CB-CG2 4.37Å; L21-V23 HydrophobicContact CD2-CG2 3.43Å; L21-V23 VanDerWaalsContact CD2-CG2 3.43Å; L21-V23 HydrophobicContact CG-CG2 3.57Å; L21-V23 PolarHBondContact O-N 3.19Å | ||
| 22 | R | 47.7 | Very low | 44.8 | Very low | 229 Ų | 229 | 125.5 Ų | 125.5 | 86% | 0.864 | 65% | 0.647 | S | S | * | * | trans | -70.8 | 81.4 | 156.9 | -175.4 | -173.4 | -68.9 | -104.1 | 1.7 | 105.8 | V24 | R22-V24 VanDerWaalsContact C-N 3.3Å; R22-V24 PolarHBondContact O-N 3.42Å | ||
| 23 | V | 47.1 | Very low | 45 | Very low | 87 Ų | 87 | 128.1 Ų | 128.1 | 53% | 0.527 | 65% | 0.646 | S | S | . | * | trans | -62.5 | 102.8 | 163.1 | 178.9 | 0 | 0 | 0 | 0 | 104.9 | L21 R25 | L21-V23 HydrophobicContact CB-CG2 4.37Å; L21-V23 HydrophobicContact CD2-CG2 3.43Å; L21-V23 VanDerWaalsContact CD2-CG2 3.43Å; L21-V23 HydrophobicContact CG-CG2 3.57Å; L21-V23 PolarHBondContact O-N 3.19Å; V23-R25 HydrophobicContact CG1-CG 4.04Å; V23-R25 PolarHBondContact O-N 3.12Å | ||
| 24 | V | 48.6 | Very low | 44.8 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 74% | 0.739 | 65% | 0.654 | S | S | * | * | trans | -59.5 | 100.2 | 156.9 | 172.7 | 0 | 0 | 0 | 0 | 103.9 | R22 E26 | R22-V24 VanDerWaalsContact C-N 3.3Å; R22-V24 PolarHBondContact O-N 3.42Å; V24-E26 PolarHBondContact O-N 3.21Å; V24-E26 VanDerWaalsContact O-N 3.13Å | ||
| 25 | R | 50.7 | Low | 44.6 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 44% | 0.438 | 64% | 0.639 | S | S | . | * | trans | -70.6 | 107.3 | 172.6 | -78 | -176.1 | 176.8 | -176.4 | -1.1 | 105.8 | V23 D27 | V23-R25 HydrophobicContact CG1-CG 4.04Å; V23-R25 PolarHBondContact O-N 3.12Å; R25-D27 PolarHBondContact O-N 3.12Å | ||
| 26 | E | 43.6 | Very low | 44.6 | Very low | 144 Ų | 144 | 122.4 Ų | 122.4 | 67% | 0.673 | 62% | 0.615 | S | S | * | * | trans | -73.9 | 101.8 | 157 | -134.6 | 162.9 | -177.1 | 0 | 0 | 105.6 | V24 H28 | V24-E26 PolarHBondContact O-N 3.21Å; V24-E26 VanDerWaalsContact O-N 3.13Å; E26-H28 PolarHBondContact O-N 3.33Å | ||
| 27 | D | 42.8 | Very low | 44.3 | Very low | 84 Ų | 84 | 124.3 Ų | 124.3 | 45% | 0.449 | 62% | 0.616 | S | S | . | * | trans | -74.2 | 53.8 | -174.3 | -74.8 | -37.5 | 0 | 0 | 0 | 111.6 | R25 Y29 S30 | R25-D27 PolarHBondContact O-N 3.12Å; D27-Y29 PolarHBondContact O-N 2.96Å; D27-S30 WeakPolarHBondContact CB-OG 3.43Å; D27-S30 PolarHBondContact O-N 3.08Å | ||
| 28 | H | 51.1 | Low | 44.3 | Very low | 136 Ų | 136 | 121.8 Ų | 121.8 | 63% | 0.63 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -13.1 | 177.6 | -91.9 | -85.7 | 0 | 0 | 0 | 113.4 | E26 | E26-H28 PolarHBondContact O-N 3.33Š|
| 29 | Y | 44.9 | Very low | 43.3 | Very low | 126 Ų | 126 | 121.1 Ų | 121.1 | 49% | 0.494 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.4 | -14 | 174.6 | 12.6 | -95 | 0 | 0 | 0 | 113.6 | D27 Q56 | D27-Y29 PolarHBondContact O-N 2.96Å; Y29-Q56 PolarHBondContact O-NE2 3.15Å |
| 30 | S | 47.2 | Very low | 42.9 | Very low | 41 Ų | 41 | 117 Ų | 117 | 29% | 0.287 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -84.2 | -9.5 | -175.3 | -46.3 | 0 | 0 | 0 | 0 | 113.4 | D27 W32 | D27-S30 WeakPolarHBondContact CB-OG 3.43Å; D27-S30 PolarHBondContact O-N 3.08Å; S30-W32 VanDerWaalsContact C-N 3.25Å; S30-W32 PolarHBondContact O-N 3.38Å |
| 31 | T | 41.3 | Very low | 42.8 | Very low | 73 Ų | 73 | 121.7 Ų | 121.7 | 45% | 0.448 | 61% | 0.613 | S | S | . | * | G | 310 helix | trans | -75 | -13.9 | 179.8 | -56.1 | 0 | 0 | 0 | 0 | 112.6 | K105 | T31-K105 HydrophobicContact CG2-CD 4.27Š|
| 32 | W | 40.8 | Very low | 43.1 | Very low | 41 Ų | 41 | 116.9 Ų | 116.9 | 16% | 0.155 | 59% | 0.593 | C | S | . | * | G | 310 helix | trans | -100.9 | 20.4 | -173 | -67.2 | 85.4 | 0 | 0 | 0 | 114.7 | S30 K52 L100 Q108 Q112 | S30-W32 VanDerWaalsContact C-N 3.25Å; S30-W32 PolarHBondContact O-N 3.38Å; W32-K52 PolarHBondContact O-NZ 2.88Å; W32-K52 VanDerWaalsContact O-NZ 3.08Å; W32-L100 HydrophobicContact CH2-CB 4.36Å; W32-Q108 HydrophobicContact CH2-CB 3.88Å; W32-Q108 HydrophobicContact CH2-CG 3.63Å; W32-Q108 HydrophobicContact CZ2-CB 4.11Å; W32-Q108 HydrophobicContact CZ2-CG 3.53Å; W32-Q108 VanDerWaalsContact CZ2-OE1 3.28Å; W32-Q112 HydrophobicContact CZ3-CG 4.22Å |
| 33 | E | 45.9 | Very low | 43.5 | Very low | 134 Ų | 134 | 115 Ų | 115 | 63% | 0.626 | 59% | 0.591 | S | S | * | * | trans | -85.7 | -6.1 | -169.4 | -70.2 | -171.7 | 171.4 | 0 | 0 | 115.5 | ||||
| 34 | Q | 37.6 | Very low | 43.8 | Very low | 184 Ų | 184 | 111.4 Ų | 111.4 | 86% | 0.86 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -123 | 91.6 | -172.8 | -85.8 | 152 | 9.7 | 0 | 0 | 113.3 | ||
| 35 | G | 39.3 | Very low | 44.1 | Very low | 57 Ų | 57 | 107 Ų | 107 | 59% | 0.588 | 54% | 0.543 | S | S | * | . | trans | 122 | 73.6 | 148.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 36 | F | 38.2 | Very low | 44.3 | Very low | 68 Ų | 68 | 103.3 Ų | 103.3 | 30% | 0.298 | 54% | 0.542 | S | S | . | . | trans | -136.8 | 100 | 154.4 | -71.6 | -71.2 | 0 | 0 | 0 | 110.2 | L38 E48 Q112 | F36-L38 HydrophobicContact CD1-CD1 4.26Å; F36-E48 WeakPolarHBondContact CE2-OE1 3.14Å; F36-Q112 HydrophobicContact CE2-CG 4.18Å; F36-Q112 HydrophobicContact CZ-CB 3.91Å; F36-Q112 HydrophobicContact CZ-CG 3.71Å | ||
| 37 | K | 38.1 | Very low | 45 | Very low | 210 Ų | 210 | 98 Ų | 98 | 91% | 0.913 | 52% | 0.517 | S | S | * | . | trans | -105.7 | 86.2 | 167.3 | -163.8 | 179.1 | -172.9 | -176.5 | 0 | 107.2 | ||||
| 38 | L | 41.1 | Very low | 45.9 | Very low | 110 Ų | 110 | 95.6 Ų | 95.6 | 58% | 0.576 | 50% | 0.503 | S | S | * | . | trans | -107.8 | 118.6 | 178.5 | -67.8 | 171.9 | 0 | 0 | 0 | 110.6 | F36 | F36-L38 HydrophobicContact CD1-CD1 4.26Š| ||
| 39 | Q | 34.9 | Very low | 47 | Very low | 201 Ų | 201 | 92.3 Ų | 92.3 | 94% | 0.939 | 49% | 0.494 | S | S | * | . | trans | -93.3 | 115.9 | 169.6 | 176.6 | 173.3 | 54.9 | 0 | 0 | 107.6 | ||||
| 40 | G | 36.4 | Very low | 48.8 | Very low | 59 Ų | 59 | 87.8 Ų | 87.8 | 61% | 0.608 | 48% | 0.478 | S | S | * | . | S | Bend | trans | 106.3 | 106 | 157.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | S42 | G40-S42 PolarHBondContact O-N 2.99Š|
| 41 | N | 46.1 | Very low | 50.6 | Low | 177 Ų | 177 | 86.4 Ų | 86.4 | 95% | 0.947 | 47% | 0.468 | S | S | * | . | trans | 50 | 27.8 | 135.7 | -125.3 | 45.8 | 0 | 0 | 0 | 122.7 | ||||
| 42 | S | 42.7 | Very low | 52.7 | Low | 55 Ų | 55 | 85 Ų | 85 | 39% | 0.385 | 46% | 0.456 | S | S | . | . | trans | -99.3 | 145.2 | 174.5 | -61 | 0 | 0 | 0 | 0 | 114.4 | G40 E117 | G40-S42 PolarHBondContact O-N 2.99Å; S42-E117 VanDerWaalsContact CB-OE1 3.28Å; S42-E117 WeakPolarHBondContact CB-OE1 3.26Å; S42-E117 PolarHBondContact OG-OE1 3.27Å | ||
| 43 | K | 54.5 | Low | 55 | Low | 190 Ų | 190 | 87.9 Ų | 87.9 | 83% | 0.826 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -88.9 | 6.1 | -161 | -75.3 | 179 | -176.9 | 176 | 0 | 118.1 | ||
| 44 | G | 53.3 | Low | 57.3 | Low | 12 Ų | 12 | 83.6 Ų | 83.6 | 12% | 0.124 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -136.8 | -42.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | E117 | G44-E117 WeakPolarHBondContact CA-O 3.23Š|
| 45 | L | 55.2 | Low | 59.8 | Low | 28 Ų | 28 | 81.5 Ų | 81.5 | 15% | 0.147 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -108.1 | -8.8 | 179.6 | -62.5 | -161.1 | 0 | 0 | 0 | 115 | Q47 E48 L96 P116 | L45-Q47 PolarHBondContact O-N 3.29Å; L45-Q47 VanDerWaalsContact O-N 3.1Å; L45-E48 WeakPolarHBondContact O-CB 3.49Å; L45-E48 PolarHBondContact O-N 3.28Å; L45-L96 HydrophobicContact CD2-CD2 3.96Å; L45-P116 WeakPolarHBondContact CB-O 3.33Å; L45-P116 HydrophobicContact CD1-CB 3.84Å; L45-P116 HydrophobicContact CD1-CG 3.61Å; L45-P116 WeakPolarHBondContact CD1-O 3.3Å; L45-P116 WeakPolarHBondContact CG-O 3.46Å |
| 46 | G | 56.3 | Low | 62.3 | Low | 40 Ų | 40 | 82.2 Ų | 82.2 | 41% | 0.412 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -13.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | P49 | G46-P49 WeakPolarHBondContact O-CD 3.4Š|
| 47 | Q | 57.5 | Low | 65 | Low | 33 Ų | 33 | 81 Ų | 81 | 15% | 0.154 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -4.6 | 179.9 | -57.2 | -68.2 | -1.9 | 0 | 0 | 113.6 | L45 P49 L50 C51 Q78 Q81 | L45-Q47 PolarHBondContact O-N 3.29Å; L45-Q47 VanDerWaalsContact O-N 3.1Å; Q47-P49 VanDerWaalsContact C-N 3.28Å; Q47-L50 PolarHBondContact O-N 3.3Å; Q47-C51 PolarHBondContact O-N 3.27Å; Q47-Q78 PolarHBondContact OE1-O 2.78Å; Q47-Q81 VanDerWaalsContact NE2-CD 3.29Å; Q47-Q81 VanDerWaalsContact NE2-OE1 3.11Å |
| 48 | E | 61.6 | Low | 67.6 | Low | 32 Ų | 32 | 76.2 Ų | 76.2 | 15% | 0.15 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -52.5 | -38.7 | 177.5 | -167 | -175.6 | 129.1 | 0 | 0 | 113.3 | F36 L45 L50 C51 K52 | F36-E48 WeakPolarHBondContact CE2-OE1 3.14Å; L45-E48 WeakPolarHBondContact O-CB 3.49Å; L45-E48 PolarHBondContact O-N 3.28Å; E48-L50 VanDerWaalsContact C-N 3.33Å; E48-L50 PolarHBondContact O-N 2.96Å; E48-C51 WeakPolarHBondContact O-CB 3.39Å; E48-C51 PolarHBondContact O-N 2.96Å; E48-K52 HydrophobicContact CG-CD 4.5Å; E48-K52 WeakPolarHBondContact O-CG 3.44Å; E48-K52 PolarHBondContact O-N 3.42Å; E48-K52 WeakPolarHBondContact OE1-CE 3.4Å; E48-K52 IonicContact OE1-NZ 3.93Å; E48-K52 PolarHBondContact OE1-NZ 3.39Å |
| 49 | P | 73.6 | Confident | 70.1 | Confident | 67 Ų | 67 | 77.1 Ų | 77.1 | 44% | 0.435 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.4 | -38.2 | 174.6 | -23.7 | 35.2 | 0 | 0 | 0 | 113.4 | G46 Q47 Q53 | G46-P49 WeakPolarHBondContact O-CD 3.4Å; Q47-P49 VanDerWaalsContact C-N 3.28Å; P49-Q53 VanDerWaalsContact O-CG 3.3Å; P49-Q53 WeakPolarHBondContact O-CG 3.35Å; P49-Q53 PolarHBondContact O-N 3.23Å |
| 50 | L | 82.9 | Confident | 73 | Confident | 32 Ų | 32 | 74.7 Ų | 74.7 | 17% | 0.168 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -76.4 | -38.3 | -179.1 | -75.2 | 164.1 | 0 | 0 | 0 | 111.8 | Q47 E48 K52 Q53 F54 L75 Q78 W79 | Q47-L50 PolarHBondContact O-N 3.3Å; E48-L50 VanDerWaalsContact C-N 3.33Å; E48-L50 PolarHBondContact O-N 2.96Å; L50-K52 VanDerWaalsContact C-N 3.34Å; L50-K52 PolarHBondContact O-N 2.68Å; L50-Q53 PolarHBondContact O-N 3.2Å; L50-F54 WeakPolarHBondContact O-CB 3.36Å; L50-F54 PolarHBondContact O-N 3.32Å; L50-L75 HydrophobicContact CD2-CD2 4.14Å; L50-Q78 HydrophobicContact CD1-CB 3.89Å; L50-Q78 HydrophobicContact CD2-CB 4.06Å; L50-W79 HydrophobicContact CB-CB 4.04Å |
| 51 | C | 86.1 | Confident | 75.5 | Confident | 11 Ų | 11 | 77.7 Ų | 77.7 | 7% | 0.074 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -54.5 | -50.3 | 169.5 | -175 | 0 | 0 | 0 | 0 | 111.2 | Q47 E48 F54 R55 W79 E97 | Q47-C51 PolarHBondContact O-N 3.27Å; E48-C51 WeakPolarHBondContact O-CB 3.39Å; E48-C51 PolarHBondContact O-N 2.96Å; C51-F54 WeakPolarHBondContact O-CB 3.37Å; C51-F54 PolarHBondContact O-N 3.33Å; C51-R55 WeakPolarHBondContact O-CG 3.4Å; C51-R55 PolarHBondContact O-N 3.49Å; C51-W79 HydrophobicContact CB-CD2 3.85Å; C51-W79 HydrophobicContact CB-CG 4.07Å; C51-W79 HydrophobicContact CB-CZ2 4Å; C51-W79 WeakPolarHBondContact SG-CZ2 3.41Å; C51-E97 PolarHBondContact SG-OE1 3.09Å |
| 52 | K | 84.5 | Confident | 77.9 | Confident | 44 Ų | 44 | 70.2 Ų | 70.2 | 19% | 0.191 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.3 | -48.3 | 177.5 | -73.8 | 176.3 | -177.2 | 169.4 | 0 | 111.4 | W32 E48 L50 F54 R55 Q56 | W32-K52 PolarHBondContact O-NZ 2.88Å; W32-K52 VanDerWaalsContact O-NZ 3.08Å; E48-K52 HydrophobicContact CG-CD 4.5Å; E48-K52 WeakPolarHBondContact O-CG 3.44Å; E48-K52 PolarHBondContact O-N 3.42Å; E48-K52 WeakPolarHBondContact OE1-CE 3.4Å; E48-K52 IonicContact OE1-NZ 3.93Å; E48-K52 PolarHBondContact OE1-NZ 3.39Å; L50-K52 VanDerWaalsContact C-N 3.34Å; L50-K52 PolarHBondContact O-N 2.68Å; K52-F54 VanDerWaalsContact C-N 3.31Å; K52-F54 PolarHBondContact O-N 2.91Å; K52-R55 PolarHBondContact O-N 3.47Å; K52-Q56 VanDerWaalsContact O-CB 3.23Å; K52-Q56 WeakPolarHBondContact O-CB 3.36Å; K52-Q56 VanDerWaalsContact O-CG 3.26Å; K52-Q56 WeakPolarHBondContact O-CG 3.31Å; K52-Q56 PolarHBondContact O-N 3.09Å |
| 53 | Q | 89.4 | Confident | 80.5 | Confident | 101 Ų | 101 | 74 Ų | 74 | 47% | 0.472 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.6 | -40.8 | 177.7 | -75.4 | 179 | -33.8 | 0 | 0 | 112.6 | P49 L50 L57 L75 | P49-Q53 VanDerWaalsContact O-CG 3.3Å; P49-Q53 WeakPolarHBondContact O-CG 3.35Å; P49-Q53 PolarHBondContact O-N 3.23Å; L50-Q53 PolarHBondContact O-N 3.2Å; Q53-L57 PolarHBondContact O-N 3.45Å; Q53-L75 HydrophobicContact CB-CD1 4.4Å; Q53-L75 HydrophobicContact CB-CD2 3.92Å |
| 54 | F | 93.4 | Very high | 82.4 | Confident | 44 Ų | 44 | 65.5 Ų | 65.5 | 19% | 0.193 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.4 | -47.8 | 175.6 | 173 | -105 | 0 | 0 | 0 | 111.9 | L50 C51 K52 L72 L75 C76 W79 | L50-F54 WeakPolarHBondContact O-CB 3.36Å; L50-F54 PolarHBondContact O-N 3.32Å; C51-F54 WeakPolarHBondContact O-CB 3.37Å; C51-F54 PolarHBondContact O-N 3.33Å; K52-F54 VanDerWaalsContact C-N 3.31Å; K52-F54 PolarHBondContact O-N 2.91Å; F54-L72 HydrophobicContact CD2-CD2 3.89Å; F54-L72 WeakPolarHBondContact CD2-O 3.39Å; F54-L72 HydrophobicContact CE2-CB 4.2Å; F54-L72 HydrophobicContact CE2-CD2 3.81Å; F54-L72 WeakPolarHBondContact CE2-O 3.2Å; F54-L75 HydrophobicContact CB-CB 4.01Å; F54-L75 HydrophobicContact CD2-CB 4.13Å; F54-C76 HydrophobicContact CD2-CB 3.98Å; F54-C76 HydrophobicContact CE2-CB 3.75Å; F54-C76 HydrophobicContact CZ-CB 4.42Å; F54-W79 HydrophobicContact CB-CE3 4.27Å; F54-W79 AromaticContact CD1-CE3 3.77Å; F54-W79 HydrophobicContact CD1-CE3 3.77Å; F54-W79 AromaticContact CD1-CZ3 3.53Å; F54-W79 HydrophobicContact CD1-CZ3 3.53Å; F54-W79 HydrophobicContact CE1-CE3 4.42Å; F54-W79 AromaticContact CE1-CZ3 3.91Å; F54-W79 HydrophobicContact CE1-CZ3 3.91Å; F54-W79 HydrophobicContact CG-CE3 4.13Å; F54-W79 HydrophobicContact CG-CZ3 4.34Å |
| 55 | R | 91.1 | Very high | 84.5 | Confident | 140 Ų | 140 | 69.4 Ų | 69.4 | 53% | 0.528 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -72.8 | -31.9 | -178.1 | -63.2 | -62.1 | -172.4 | -174.4 | 1.3 | 113.5 | C51 K52 E97 | C51-R55 WeakPolarHBondContact O-CG 3.4Å; C51-R55 PolarHBondContact O-N 3.49Å; K52-R55 PolarHBondContact O-N 3.47Å; R55-E97 IonicContact CZ-OE1 3.61Å; R55-E97 IonicContact CZ-OE2 2.85Å; R55-E97 IonicContact NE-OE1 2.68Å; R55-E97 PolarHBondContact NE-OE1 3.21Å; R55-E97 IonicContact NE-OE2 2.67Å; R55-E97 IonicContact NH2-OE1 3.68Å; R55-E97 PolarHBondContact NH2-OE1 3.46Å; R55-E97 IonicContact NH2-OE2 3.05Å; R55-E97 PolarHBondContact NH2-OE2 2.84Å |
| 56 | Q | 92 | Very high | 86.6 | Confident | 73 Ų | 73 | 78 Ų | 78 | 34% | 0.341 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -96.3 | -6.6 | -173.1 | -64.4 | 178.2 | 1.2 | 0 | 0 | 113.9 | Y29 K52 R58 | Y29-Q56 PolarHBondContact O-NE2 3.15Å; K52-Q56 VanDerWaalsContact O-CB 3.23Å; K52-Q56 WeakPolarHBondContact O-CB 3.36Å; K52-Q56 VanDerWaalsContact O-CG 3.26Å; K52-Q56 WeakPolarHBondContact O-CG 3.31Å; K52-Q56 PolarHBondContact O-N 3.09Å; Q56-R58 WeakPolarHBondContact O-CG 3.45Å; Q56-R58 PolarHBondContact O-N 3.21Å; Q56-R58 VanDerWaalsContact O-N 3.09Å |
| 57 | L | 93.4 | Very high | 88.6 | Confident | 42 Ų | 42 | 80.2 Ų | 80.2 | 22% | 0.22 | 38% | 0.38 | C | S | . | . | trans | -50.3 | 119.4 | 176.6 | -175.2 | 87.5 | 0 | 0 | 0 | 110 | Q53 R71 L72 L75 | Q53-L57 PolarHBondContact O-N 3.45Å; L57-R71 HydrophobicContact CD1-CB 4.5Å; L57-R71 HydrophobicContact CD1-CG 3.76Å; L57-R71 HydrophobicContact CD2-CB 4.34Å; L57-R71 HydrophobicContact CD2-CG 4.39Å; L57-L72 HydrophobicContact CB-CD2 4.17Å; L57-L72 HydrophobicContact CD2-CD1 4.41Å; L57-L72 HydrophobicContact CD2-CD2 3.63Å; L57-L72 HydrophobicContact CD2-CG 3.55Å; L57-L75 HydrophobicContact CD1-CD1 4.17Å | ||
| 58 | R | 93.7 | Very high | 90.5 | Very high | 110 Ų | 110 | 79 Ų | 79 | 42% | 0.415 | 38% | 0.376 | S | S | . | . | trans | -94.6 | 141.8 | 177.9 | -57 | -173 | 178 | 147.9 | 7.2 | 110.2 | Q56 E60 E61 | Q56-R58 WeakPolarHBondContact O-CG 3.45Å; Q56-R58 PolarHBondContact O-N 3.21Å; Q56-R58 VanDerWaalsContact O-N 3.09Å; R58-E60 WeakPolarHBondContact CB-OE2 3.28Å; R58-E60 PolarHBondContact O-N 3.44Å; R58-E61 HydrophobicContact CB-CG 4.04Å; R58-E61 WeakPolarHBondContact CD-OE1 3.28Å; R58-E61 PolarHBondContact N-OE2 3.19Å; R58-E61 WeakPolarHBondContact O-CB 3.33Å; R58-E61 PolarHBondContact O-N 3.45Å; R58-E61 VanDerWaalsContact O-N 3.1Å | ||
| 59 | Y | 93.6 | Very high | 92.2 | Very high | 129 Ų | 129 | 81.9 Ų | 81.9 | 51% | 0.506 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -61.6 | -34.3 | 178.6 | -175.2 | -95 | 0 | 0 | 0 | 111.7 | E61 T62 P65 A68 | Y59-E61 PolarHBondContact O-N 3.21Å; Y59-T62 PolarHBondContact O-N 3.43Å; Y59-T62 VanDerWaalsContact O-N 3.08Å; Y59-T62 PolarHBondContact O-OG1 2.98Å; Y59-P65 HydrophobicContact CE2-CB 4.2Å; Y59-P65 VanDerWaalsContact OH-CD 3.23Å; Y59-P65 WeakPolarHBondContact OH-CD 3.35Å; Y59-A68 HydrophobicContact CD2-CB 4Å; Y59-A68 HydrophobicContact CE2-CB 4.18Å |
| 60 | E | 95.1 | Very high | 93.3 | Very high | 149 Ų | 149 | 81.4 Ų | 81.4 | 70% | 0.696 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -64.1 | -19.1 | 178.2 | -60.5 | 78.3 | -170.5 | 0 | 0 | 113.7 | R58 T62 | R58-E60 WeakPolarHBondContact CB-OE2 3.28Å; R58-E60 PolarHBondContact O-N 3.44Å; E60-T62 PolarHBondContact O-N 3.39Å |
| 61 | E | 90.5 | Very high | 93.9 | Very high | 122 Ų | 122 | 84.1 Ų | 84.1 | 57% | 0.57 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -82.6 | 1.1 | 176.8 | -65.1 | 162.2 | -170.8 | 0 | 0 | 112.2 | R58 Y59 | R58-E61 HydrophobicContact CB-CG 4.04Å; R58-E61 WeakPolarHBondContact CD-OE1 3.28Å; R58-E61 PolarHBondContact N-OE2 3.19Å; R58-E61 WeakPolarHBondContact O-CB 3.33Å; R58-E61 PolarHBondContact O-N 3.45Å; R58-E61 VanDerWaalsContact O-N 3.1Å; Y59-E61 PolarHBondContact O-N 3.21Å |
| 62 | T | 95.8 | Very high | 94.5 | Very high | 21 Ų | 21 | 86.5 Ų | 86.5 | 13% | 0.129 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -120.9 | 152 | -175.7 | 75.4 | 0 | 0 | 0 | 0 | 111.3 | Y59 E60 G64 A68 | Y59-T62 PolarHBondContact O-N 3.43Å; Y59-T62 VanDerWaalsContact O-N 3.08Å; Y59-T62 PolarHBondContact O-OG1 2.98Å; E60-T62 PolarHBondContact O-N 3.39Å; T62-G64 PolarHBondContact O-N 3.31Å; T62-G64 PolarHBondContact OG1-O 3.32Å; T62-A68 HydrophobicContact CG2-CB 3.92Å |
| 63 | T | 96.3 | Very high | 95 | Very high | 134 Ų | 134 | 92 Ų | 92 | 82% | 0.822 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -74.9 | -8.7 | 178.4 | 67.8 | 0 | 0 | 0 | 0 | 113.2 | E67 | T63-E67 WeakPolarHBondContact CA-OE2 3.15Å; T63-E67 WeakPolarHBondContact CB-OE2 3.45Å; T63-E67 WeakPolarHBondContact CG2-OE2 3.44Å; T63-E67 PolarHBondContact N-OE2 2.99Å; T63-E67 PolarHBondContact OG1-OE2 3.03Å |
| 64 | G | 95.8 | Very high | 95.3 | Very high | 12 Ų | 12 | 91.1 Ų | 91.1 | 12% | 0.124 | 43% | 0.425 | C | S | . | . | S | Bend | trans | 162 | -176.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | T62 R66 E67 A68 | T62-G64 PolarHBondContact O-N 3.31Å; T62-G64 PolarHBondContact OG1-O 3.32Å; G64-R66 VanDerWaalsContact C-N 3.31Å; G64-R66 PolarHBondContact O-N 3.39Å; G64-E67 PolarHBondContact O-N 2.82Å; G64-A68 PolarHBondContact O-N 3.34Å |
| 65 | P | 97.8 | Very high | 95.4 | Very high | 93 Ų | 93 | 89.2 Ų | 89.2 | 60% | 0.604 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -68.3 | -30.6 | -167 | 27.1 | -32.8 | 0 | 0 | 0 | 113.3 | Y59 L69 | Y59-P65 HydrophobicContact CE2-CB 4.2Å; Y59-P65 VanDerWaalsContact OH-CD 3.23Å; Y59-P65 WeakPolarHBondContact OH-CD 3.35Å; P65-L69 WeakPolarHBondContact O-CB 3.25Å; P65-L69 PolarHBondContact O-N 3.03Å; P65-L69 VanDerWaalsContact O-N 3.09Å |
| 66 | R | 98.3 | Very high | 95.5 | Very high | 209 Ų | 209 | 84.4 Ų | 84.4 | 79% | 0.789 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -68.1 | -44.3 | 176.7 | -175.1 | 174.7 | -66.5 | -82.5 | -0.5 | 111.3 | G64 S70 | G64-R66 VanDerWaalsContact C-N 3.31Å; G64-R66 PolarHBondContact O-N 3.39Å; R66-S70 PolarHBondContact O-N 3.18Å; R66-S70 PolarHBondContact O-OG 3.19Å |
| 67 | E | 97.8 | Very high | 95.5 | Very high | 86 Ų | 86 | 85.8 Ų | 85.8 | 40% | 0.402 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.1 | -43.5 | 177.7 | -173.8 | -179.5 | -164.4 | 0 | 0 | 111.1 | T63 G64 L69 S70 R71 | T63-E67 WeakPolarHBondContact CA-OE2 3.15Å; T63-E67 WeakPolarHBondContact CB-OE2 3.45Å; T63-E67 WeakPolarHBondContact CG2-OE2 3.44Å; T63-E67 PolarHBondContact N-OE2 2.99Å; T63-E67 PolarHBondContact OG1-OE2 3.03Å; G64-E67 PolarHBondContact O-N 2.82Å; E67-L69 VanDerWaalsContact C-N 3.31Å; E67-L69 PolarHBondContact O-N 3.3Å; E67-S70 PolarHBondContact O-N 3.47Å; E67-S70 VanDerWaalsContact O-N 3.15Å; E67-R71 WeakPolarHBondContact O-CB 3.44Å; E67-R71 PolarHBondContact O-N 3.31Å |
| 68 | A | 97 | Very high | 95.4 | Very high | 9 Ų | 9 | 87.9 Ų | 87.9 | 7% | 0.074 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -54.6 | -47 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y59 T62 G64 R71 L72 | Y59-A68 HydrophobicContact CD2-CB 4Å; Y59-A68 HydrophobicContact CE2-CB 4.18Å; T62-A68 HydrophobicContact CG2-CB 3.92Å; G64-A68 PolarHBondContact O-N 3.34Å; A68-R71 PolarHBondContact O-N 3.24Å; A68-L72 WeakPolarHBondContact O-CG 3.44Å; A68-L72 PolarHBondContact O-N 3.43Å |
| 69 | L | 97.8 | Very high | 95.2 | Very high | 92 Ų | 92 | 83.2 Ų | 83.2 | 48% | 0.482 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.4 | -42.6 | 177.8 | -177.6 | 62 | 0 | 0 | 0 | 112.2 | P65 E67 R71 L72 R73 | P65-L69 WeakPolarHBondContact O-CB 3.25Å; P65-L69 PolarHBondContact O-N 3.03Å; P65-L69 VanDerWaalsContact O-N 3.09Å; E67-L69 VanDerWaalsContact C-N 3.31Å; E67-L69 PolarHBondContact O-N 3.3Å; L69-R71 VanDerWaalsContact C-N 3.33Å; L69-L72 PolarHBondContact O-N 3.09Å; L69-R73 VanDerWaalsContact O-CG 3.31Å; L69-R73 WeakPolarHBondContact O-CG 3.12Å; L69-R73 PolarHBondContact O-N 3.41Å |
| 70 | S | 97.8 | Very high | 95.1 | Very high | 56 Ų | 56 | 78 Ų | 78 | 39% | 0.392 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 175.6 | -67.6 | 0 | 0 | 0 | 0 | 111.2 | R66 E67 R73 E74 | R66-S70 PolarHBondContact O-N 3.18Å; R66-S70 PolarHBondContact O-OG 3.19Å; E67-S70 PolarHBondContact O-N 3.47Å; E67-S70 VanDerWaalsContact O-N 3.15Å; S70-R73 WeakPolarHBondContact O-CB 3.34Å; S70-R73 PolarHBondContact O-N 3.32Å; S70-E74 WeakPolarHBondContact O-CG 3.5Å; S70-E74 PolarHBondContact O-N 3.5Å |
| 71 | R | 96 | Very high | 94.9 | Very high | 90 Ų | 90 | 74.1 Ų | 74.1 | 34% | 0.34 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | -179 | -169.6 | 62.3 | -175.2 | 152.7 | 3.1 | 112.6 | L57 E67 A68 L69 R73 E74 L75 | L57-R71 HydrophobicContact CD1-CB 4.5Å; L57-R71 HydrophobicContact CD1-CG 3.76Å; L57-R71 HydrophobicContact CD2-CB 4.34Å; L57-R71 HydrophobicContact CD2-CG 4.39Å; E67-R71 WeakPolarHBondContact O-CB 3.44Å; E67-R71 PolarHBondContact O-N 3.31Å; A68-R71 PolarHBondContact O-N 3.24Å; L69-R71 VanDerWaalsContact C-N 3.33Å; R71-R73 VanDerWaalsContact C-N 3.29Å; R71-R73 PolarHBondContact O-N 3.46Å; R71-E74 IonicContact CZ-OE2 3.88Å; R71-E74 IonicContact NH1-OE2 2.82Å; R71-E74 PolarHBondContact NH1-OE2 3.06Å; R71-E74 PolarHBondContact O-N 3.17Å; R71-L75 HydrophobicContact CG-CD1 4.07Å; R71-L75 WeakPolarHBondContact O-CB 3.42Å; R71-L75 WeakPolarHBondContact O-CG 3.21Å; R71-L75 PolarHBondContact O-N 2.98Å |
| 72 | L | 96.8 | Very high | 95.1 | Very high | 60 Ų | 60 | 71.3 Ų | 71.3 | 31% | 0.314 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.3 | -40.8 | 172.8 | -76.4 | 171.5 | 0 | 0 | 0 | 111.9 | F54 L57 A68 L69 C76 | F54-L72 HydrophobicContact CD2-CD2 3.89Å; F54-L72 WeakPolarHBondContact CD2-O 3.39Å; F54-L72 HydrophobicContact CE2-CB 4.2Å; F54-L72 HydrophobicContact CE2-CD2 3.81Å; F54-L72 WeakPolarHBondContact CE2-O 3.2Å; L57-L72 HydrophobicContact CB-CD2 4.17Å; L57-L72 HydrophobicContact CD2-CD1 4.41Å; L57-L72 HydrophobicContact CD2-CD2 3.63Å; L57-L72 HydrophobicContact CD2-CG 3.55Å; A68-L72 WeakPolarHBondContact O-CG 3.44Å; A68-L72 PolarHBondContact O-N 3.43Å; L69-L72 PolarHBondContact O-N 3.09Å; L72-C76 WeakPolarHBondContact O-CB 3.27Å; L72-C76 PolarHBondContact O-N 3.42Å |
| 73 | R | 96.8 | Very high | 95 | Very high | 161 Ų | 161 | 76.9 Ų | 76.9 | 61% | 0.608 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.4 | -46 | 177.2 | -73.7 | 171.4 | 176.4 | -125.6 | -1.5 | 111.8 | L69 S70 R71 C76 Q77 | L69-R73 VanDerWaalsContact O-CG 3.31Å; L69-R73 WeakPolarHBondContact O-CG 3.12Å; L69-R73 PolarHBondContact O-N 3.41Å; S70-R73 WeakPolarHBondContact O-CB 3.34Å; S70-R73 PolarHBondContact O-N 3.32Å; R71-R73 VanDerWaalsContact C-N 3.29Å; R71-R73 PolarHBondContact O-N 3.46Å; R73-C76 PolarHBondContact O-N 3.41Å; R73-Q77 WeakPolarHBondContact O-CB 3.32Å; R73-Q77 WeakPolarHBondContact O-CG 3.47Å; R73-Q77 PolarHBondContact O-N 2.8Å |
| 74 | E | 95.9 | Very high | 94.8 | Very high | 82 Ų | 82 | 75.3 Ų | 75.3 | 38% | 0.383 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.9 | -48.4 | 177.3 | -72.1 | 169.4 | -167.6 | 0 | 0 | 111.8 | S70 R71 C76 Q77 Q78 | S70-E74 WeakPolarHBondContact O-CG 3.5Å; S70-E74 PolarHBondContact O-N 3.5Å; R71-E74 IonicContact CZ-OE2 3.88Å; R71-E74 IonicContact NH1-OE2 2.82Å; R71-E74 PolarHBondContact NH1-OE2 3.06Å; R71-E74 PolarHBondContact O-N 3.17Å; E74-C76 VanDerWaalsContact C-N 3.34Å; E74-C76 PolarHBondContact O-N 3.19Å; E74-Q77 PolarHBondContact O-N 3.3Å; E74-Q78 WeakPolarHBondContact O-CB 3.49Å; E74-Q78 VanDerWaalsContact O-CG 3.28Å; E74-Q78 WeakPolarHBondContact O-CG 3.35Å; E74-Q78 PolarHBondContact O-N 2.99Å |
| 75 | L | 93.9 | Very high | 94.6 | Very high | 3 Ų | 3 | 76.4 Ų | 76.4 | 2% | 0.016 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 178.7 | -71.3 | 169.4 | 0 | 0 | 0 | 111.4 | L50 Q53 F54 L57 R71 Q78 W79 | L50-L75 HydrophobicContact CD2-CD2 4.14Å; Q53-L75 HydrophobicContact CB-CD1 4.4Å; Q53-L75 HydrophobicContact CB-CD2 3.92Å; F54-L75 HydrophobicContact CB-CB 4.01Å; F54-L75 HydrophobicContact CD2-CB 4.13Å; L57-L75 HydrophobicContact CD1-CD1 4.17Å; R71-L75 HydrophobicContact CG-CD1 4.07Å; R71-L75 WeakPolarHBondContact O-CB 3.42Å; R71-L75 WeakPolarHBondContact O-CG 3.21Å; R71-L75 PolarHBondContact O-N 2.98Å; L75-Q78 PolarHBondContact O-N 3.16Å; L75-W79 VanDerWaalsContact O-CB 3.26Å; L75-W79 WeakPolarHBondContact O-CB 3.46Å; L75-W79 PolarHBondContact O-N 3.31Å |
| 76 | C | 92.9 | Very high | 94.4 | Very high | 40 Ų | 40 | 75.3 Ų | 75.3 | 27% | 0.27 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 176.1 | -177.1 | 0 | 0 | 0 | 0 | 112.1 | F54 L72 R73 E74 W79 L80 | F54-C76 HydrophobicContact CD2-CB 3.98Å; F54-C76 HydrophobicContact CE2-CB 3.75Å; F54-C76 HydrophobicContact CZ-CB 4.42Å; L72-C76 WeakPolarHBondContact O-CB 3.27Å; L72-C76 PolarHBondContact O-N 3.42Å; R73-C76 PolarHBondContact O-N 3.41Å; E74-C76 VanDerWaalsContact C-N 3.34Å; E74-C76 PolarHBondContact O-N 3.19Å; C76-W79 PolarHBondContact O-N 2.82Å; C76-L80 WeakPolarHBondContact O-CB 3.31Å; C76-L80 PolarHBondContact O-N 2.91Å |
| 77 | Q | 93.9 | Very high | 94.4 | Very high | 101 Ų | 101 | 72.4 Ų | 72.4 | 47% | 0.472 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 176.1 | -76 | 176.7 | -19.4 | 0 | 0 | 112.1 | R73 E74 Q81 | R73-Q77 WeakPolarHBondContact O-CB 3.32Å; R73-Q77 WeakPolarHBondContact O-CG 3.47Å; R73-Q77 PolarHBondContact O-N 2.8Å; E74-Q77 PolarHBondContact O-N 3.3Å; Q77-Q81 WeakPolarHBondContact O-CA 3.18Å; Q77-Q81 PolarHBondContact O-N 3.1Å |
| 78 | Q | 90.4 | Very high | 94.2 | Very high | 87 Ų | 87 | 73.9 Ų | 73.9 | 41% | 0.407 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.5 | -39.4 | 179 | -71.3 | 171.5 | 30.5 | 0 | 0 | 112 | Q47 L50 E74 L75 Q81 | Q47-Q78 PolarHBondContact OE1-O 2.78Å; L50-Q78 HydrophobicContact CD1-CB 3.89Å; L50-Q78 HydrophobicContact CD2-CB 4.06Å; E74-Q78 WeakPolarHBondContact O-CB 3.49Å; E74-Q78 VanDerWaalsContact O-CG 3.28Å; E74-Q78 WeakPolarHBondContact O-CG 3.35Å; E74-Q78 PolarHBondContact O-N 2.99Å; L75-Q78 PolarHBondContact O-N 3.16Å; Q78-Q81 VanDerWaalsContact O-CG 3.25Å; Q78-Q81 WeakPolarHBondContact O-CG 3.37Å |
| 79 | W | 89.5 | Confident | 93.7 | Very high | 11 Ų | 11 | 77.9 Ų | 77.9 | 4% | 0.042 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -70.2 | -54.6 | 178 | 172 | 27.9 | 0 | 0 | 0 | 112.1 | L50 C51 F54 L75 C76 L94 E97 | L50-W79 HydrophobicContact CB-CB 4.04Å; C51-W79 HydrophobicContact CB-CD2 3.85Å; C51-W79 HydrophobicContact CB-CG 4.07Å; C51-W79 HydrophobicContact CB-CZ2 4Å; C51-W79 WeakPolarHBondContact SG-CZ2 3.41Å; F54-W79 HydrophobicContact CB-CE3 4.27Å; F54-W79 AromaticContact CD1-CE3 3.77Å; F54-W79 HydrophobicContact CD1-CE3 3.77Å; F54-W79 AromaticContact CD1-CZ3 3.53Å; F54-W79 HydrophobicContact CD1-CZ3 3.53Å; F54-W79 HydrophobicContact CE1-CE3 4.42Å; F54-W79 AromaticContact CE1-CZ3 3.91Å; F54-W79 HydrophobicContact CE1-CZ3 3.91Å; F54-W79 HydrophobicContact CG-CE3 4.13Å; F54-W79 HydrophobicContact CG-CZ3 4.34Å; L75-W79 VanDerWaalsContact O-CB 3.26Å; L75-W79 WeakPolarHBondContact O-CB 3.46Å; L75-W79 PolarHBondContact O-N 3.31Å; C76-W79 PolarHBondContact O-N 2.82Å; W79-L94 HydrophobicContact CH2-CD2 3.42Å; W79-L94 VanDerWaalsContact CH2-CD2 3.42Å; W79-L94 HydrophobicContact CZ2-CD2 3.87Å; W79-L94 HydrophobicContact CZ3-CD2 4.21Å; W79-E97 WeakPolarHBondContact CH2-OE2 3.43Å; W79-E97 HydrophobicContact CZ2-CB 4.41Å; W79-E97 HydrophobicContact CZ2-CG 4.45Å |
| 80 | L | 90.9 | Very high | 93.4 | Very high | 20 Ų | 20 | 75 Ų | 75 | 11% | 0.105 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -87 | -16.5 | -171.5 | -59.9 | -178.9 | 0 | 0 | 0 | 113.5 | C76 H85 I90 L94 | C76-L80 WeakPolarHBondContact O-CB 3.31Å; C76-L80 PolarHBondContact O-N 2.91Å; L80-H85 PolarHBondContact O-ND1 3.02Å; L80-I90 HydrophobicContact CB-CG1 4.5Å; L80-I90 HydrophobicContact CD1-CG2 4.03Å; L80-I90 HydrophobicContact CD2-CG2 4.3Å; L80-L94 HydrophobicContact CD2-CD2 4.21Å |
| 81 | Q | 92.1 | Very high | 93.1 | Very high | 68 Ų | 68 | 76.5 Ų | 76.5 | 32% | 0.318 | 37% | 0.37 | S | S | . | . | trans | 41 | 58.2 | -179.6 | -49.7 | -175.3 | -72.4 | 0 | 0 | 113.1 | Q47 Q77 Q78 E83 T84 H85 | Q47-Q81 VanDerWaalsContact NE2-CD 3.29Å; Q47-Q81 VanDerWaalsContact NE2-OE1 3.11Å; Q77-Q81 WeakPolarHBondContact O-CA 3.18Å; Q77-Q81 PolarHBondContact O-N 3.1Å; Q78-Q81 VanDerWaalsContact O-CG 3.25Å; Q78-Q81 WeakPolarHBondContact O-CG 3.37Å; Q81-E83 PolarHBondContact O-N 2.79Å; Q81-T84 VanDerWaalsContact CB-OG1 3.31Å; Q81-T84 WeakPolarHBondContact CB-OG1 3.28Å; Q81-T84 PolarHBondContact O-N 3.49Å; Q81-T84 PolarHBondContact O-OG1 2.94Å; Q81-T84 VanDerWaalsContact O-OG1 3.09Å; Q81-H85 PolarHBondContact O-N 3.29Å | ||
| 82 | P | 93.4 | Very high | 92.8 | Very high | 62 Ų | 62 | 76.2 Ų | 76.2 | 40% | 0.403 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -13.8 | -174.7 | 27.9 | -35.8 | 0 | 0 | 0 | 114 | T84 I90 | P82-T84 VanDerWaalsContact C-N 3.3Å; P82-I90 HydrophobicContact CB-CD1 4.04Å |
| 83 | E | 94.9 | Very high | 92.3 | Very high | 139 Ų | 139 | 74.8 Ų | 74.8 | 65% | 0.65 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -24.2 | 172.5 | -59.2 | 73 | -157 | 0 | 0 | 112.5 | Q81 | Q81-E83 PolarHBondContact O-N 2.79Š|
| 84 | T | 91.6 | Very high | 92 | Very high | 100 Ų | 100 | 69.7 Ų | 69.7 | 61% | 0.613 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.1 | -28.3 | -178.5 | 56.4 | 0 | 0 | 0 | 0 | 113.4 | Q81 P82 | Q81-T84 VanDerWaalsContact CB-OG1 3.31Å; Q81-T84 WeakPolarHBondContact CB-OG1 3.28Å; Q81-T84 PolarHBondContact O-N 3.49Å; Q81-T84 PolarHBondContact O-OG1 2.94Å; Q81-T84 VanDerWaalsContact O-OG1 3.09Å; P82-T84 VanDerWaalsContact C-N 3.3Å |
| 85 | H | 90.6 | Very high | 91.7 | Very high | 35 Ų | 35 | 69.2 Ų | 69.2 | 16% | 0.162 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -94.9 | 134.5 | 179.9 | -64.8 | 130.9 | 0 | 0 | 0 | 112 | L80 Q81 Q89 I90 | L80-H85 PolarHBondContact O-ND1 3.02Å; Q81-H85 PolarHBondContact O-N 3.29Å; H85-Q89 HydrophobicContact CB-CB 4.08Å; H85-I90 HydrophobicContact CB-CD1 4.45Å; H85-I90 HydrophobicContact CB-CG1 3.84Å |
| 86 | T | 94.9 | Very high | 91.3 | Very high | 70 Ų | 70 | 69.5 Ų | 69.5 | 43% | 0.429 | 35% | 0.354 | S | S | . | . | trans | -65.7 | 162.1 | 165.9 | 60.4 | 0 | 0 | 0 | 0 | 110.8 | E88 Q89 I90 | T86-E88 PolarHBondContact O-N 3.36Å; T86-Q89 PolarHBondContact O-N 2.85Å; T86-Q89 WeakPolarHBondContact OG1-CB 3.26Å; T86-Q89 VanDerWaalsContact OG1-CD 3.25Å; T86-Q89 VanDerWaalsContact OG1-CG 3.25Å; T86-Q89 WeakPolarHBondContact OG1-CG 3.42Å; T86-Q89 PolarHBondContact OG1-N 3.1Å; T86-Q89 PolarHBondContact OG1-OE1 2.96Å; T86-I90 WeakPolarHBondContact O-CG1 3.14Å; T86-I90 PolarHBondContact O-N 3.13Å | ||
| 87 | K | 96.7 | Very high | 91 | Very high | 148 Ų | 148 | 68.9 Ų | 68.9 | 64% | 0.643 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -55.3 | -43.4 | 176.1 | 178.9 | -170.8 | 171.8 | -166.6 | 0 | 111.4 | I90 L91 | K87-I90 PolarHBondContact O-N 3.41Å; K87-L91 HydrophobicContact CG-CD1 4.39Å; K87-L91 WeakPolarHBondContact O-CG 2.97Å; K87-L91 PolarHBondContact O-N 3.17Å |
| 88 | E | 94.6 | Very high | 90.8 | Very high | 118 Ų | 118 | 69 Ų | 69 | 55% | 0.551 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63 | -44.9 | -179.4 | -67 | 64.7 | -141.1 | 0 | 0 | 110.2 | T86 I90 L91 E92 | T86-E88 PolarHBondContact O-N 3.36Å; E88-I90 VanDerWaalsContact C-N 3.34Å; E88-I90 PolarHBondContact O-N 3.27Å; E88-L91 PolarHBondContact O-N 3.27Å; E88-E92 WeakPolarHBondContact O-CG 2.8Å; E88-E92 PolarHBondContact O-N 3.31Å |
| 89 | Q | 87.4 | Confident | 90.6 | Very high | 93 Ų | 93 | 67.9 Ų | 67.9 | 44% | 0.435 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.5 | -40.3 | 174.7 | -73.1 | 164.9 | -40.8 | 0 | 0 | 112.5 | H85 T86 L91 E92 L93 | H85-Q89 HydrophobicContact CB-CB 4.08Å; T86-Q89 PolarHBondContact O-N 2.85Å; T86-Q89 WeakPolarHBondContact OG1-CB 3.26Å; T86-Q89 VanDerWaalsContact OG1-CD 3.25Å; T86-Q89 VanDerWaalsContact OG1-CG 3.25Å; T86-Q89 WeakPolarHBondContact OG1-CG 3.42Å; T86-Q89 PolarHBondContact OG1-N 3.1Å; T86-Q89 PolarHBondContact OG1-OE1 2.96Å; Q89-L91 VanDerWaalsContact C-N 3.35Å; Q89-E92 PolarHBondContact O-N 3.33Å; Q89-L93 WeakPolarHBondContact O-CG 3.41Å; Q89-L93 PolarHBondContact O-N 3.15Å |
| 90 | I | 89.6 | Confident | 90.3 | Very high | 32 Ų | 32 | 68.2 Ų | 68.2 | 16% | 0.164 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 175.2 | -68.2 | 170.6 | 0 | 0 | 0 | 110.8 | L80 P82 H85 T86 K87 E88 E92 L93 L94 | L80-I90 HydrophobicContact CB-CG1 4.5Å; L80-I90 HydrophobicContact CD1-CG2 4.03Å; L80-I90 HydrophobicContact CD2-CG2 4.3Å; P82-I90 HydrophobicContact CB-CD1 4.04Å; H85-I90 HydrophobicContact CB-CD1 4.45Å; H85-I90 HydrophobicContact CB-CG1 3.84Å; T86-I90 WeakPolarHBondContact O-CG1 3.14Å; T86-I90 PolarHBondContact O-N 3.13Å; K87-I90 PolarHBondContact O-N 3.41Å; E88-I90 VanDerWaalsContact C-N 3.34Å; E88-I90 PolarHBondContact O-N 3.27Å; I90-E92 VanDerWaalsContact C-N 3.33Å; I90-E92 PolarHBondContact O-N 2.94Å; I90-L93 PolarHBondContact O-N 3.32Å; I90-L94 HydrophobicContact CG2-CD1 4.41Å; I90-L94 WeakPolarHBondContact O-CG 3.36Å; I90-L94 PolarHBondContact O-N 3.05Å; I90-L94 VanDerWaalsContact O-N 3.1Å |
| 91 | L | 93.4 | Very high | 90.1 | Very high | 87 Ų | 87 | 71.6 Ų | 71.6 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 177.3 | -70.1 | 174.2 | 0 | 0 | 0 | 111.4 | K87 E88 Q89 L93 L94 V95 | K87-L91 HydrophobicContact CG-CD1 4.39Å; K87-L91 WeakPolarHBondContact O-CG 2.97Å; K87-L91 PolarHBondContact O-N 3.17Å; E88-L91 PolarHBondContact O-N 3.27Å; Q89-L91 VanDerWaalsContact C-N 3.35Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 3.4Å; L91-L94 PolarHBondContact O-N 2.93Å; L91-V95 WeakPolarHBondContact O-CG2 3.49Å; L91-V95 PolarHBondContact O-N 2.98Å |
| 92 | E | 88.1 | Confident | 89.9 | Confident | 84 Ų | 84 | 74 Ų | 74 | 39% | 0.393 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 176 | -69.6 | -58.7 | 143.6 | 0 | 0 | 112.4 | E88 Q89 I90 L94 V95 L96 R119 | E88-E92 WeakPolarHBondContact O-CG 2.8Å; E88-E92 PolarHBondContact O-N 3.31Å; Q89-E92 PolarHBondContact O-N 3.33Å; I90-E92 VanDerWaalsContact C-N 3.33Å; I90-E92 PolarHBondContact O-N 2.94Å; E92-L94 VanDerWaalsContact C-N 3.35Å; E92-L94 PolarHBondContact O-N 3.16Å; E92-V95 PolarHBondContact O-N 2.84Å; E92-L96 WeakPolarHBondContact O-CB 3.44Å; E92-L96 PolarHBondContact O-N 2.92Å; E92-R119 IonicContact OE1-NH1 2.79Å; E92-R119 WeakPolarHBondContact OE2-CD 3.5Å; E92-R119 IonicContact OE2-CZ 3.66Å; E92-R119 IonicContact OE2-NE 3.49Å; E92-R119 IonicContact OE2-NH1 3.6Å; E92-R119 PolarHBondContact OE2-NH1 3.3Å |
| 93 | L | 86.8 | Confident | 89.6 | Confident | 29 Ų | 29 | 71.9 Ų | 71.9 | 15% | 0.152 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 173.5 | -72.8 | 172.1 | 0 | 0 | 0 | 112.2 | Q89 I90 L91 L96 E97 | Q89-L93 WeakPolarHBondContact O-CG 3.41Å; Q89-L93 PolarHBondContact O-N 3.15Å; I90-L93 PolarHBondContact O-N 3.32Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 3.4Å; L93-L96 PolarHBondContact O-N 3.04Å; L93-E97 PolarHBondContact O-N 3.09Å |
| 94 | L | 90.2 | Very high | 89.2 | Confident | 55 Ų | 55 | 68.7 Ų | 68.7 | 29% | 0.288 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.5 | -38.1 | 177.1 | -65.1 | 176.6 | 0 | 0 | 0 | 112 | W79 L80 I90 L91 E92 L96 Q98 | W79-L94 HydrophobicContact CH2-CD2 3.42Å; W79-L94 VanDerWaalsContact CH2-CD2 3.42Å; W79-L94 HydrophobicContact CZ2-CD2 3.87Å; W79-L94 HydrophobicContact CZ3-CD2 4.21Å; L80-L94 HydrophobicContact CD2-CD2 4.21Å; I90-L94 HydrophobicContact CG2-CD1 4.41Å; I90-L94 WeakPolarHBondContact O-CG 3.36Å; I90-L94 PolarHBondContact O-N 3.05Å; I90-L94 VanDerWaalsContact O-N 3.1Å; L91-L94 PolarHBondContact O-N 2.93Å; E92-L94 VanDerWaalsContact C-N 3.35Å; E92-L94 PolarHBondContact O-N 3.16Å; L94-L96 VanDerWaalsContact C-N 3.33Å; L94-Q98 WeakPolarHBondContact O-CB 3.35Å; L94-Q98 PolarHBondContact O-N 2.77Å |
| 95 | V | 89.6 | Confident | 88.8 | Confident | 71 Ų | 71 | 69.6 Ų | 69.6 | 43% | 0.43 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 173.8 | 169.4 | 0 | 0 | 0 | 0 | 110.2 | L91 E92 Q98 F99 | L91-V95 WeakPolarHBondContact O-CG2 3.49Å; L91-V95 PolarHBondContact O-N 2.98Å; E92-V95 PolarHBondContact O-N 2.84Å; V95-Q98 PolarHBondContact O-N 2.88Å; V95-F99 VanDerWaalsContact O-CB 3.28Å; V95-F99 WeakPolarHBondContact O-CB 3.2Å; V95-F99 PolarHBondContact O-N 3.13Å |
| 96 | L | 84.9 | Confident | 88.6 | Confident | 10 Ų | 10 | 74.5 Ų | 74.5 | 5% | 0.052 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.3 | -46.6 | 177.3 | -175.9 | 57.1 | 0 | 0 | 0 | 112.1 | L45 E92 L93 L94 Q98 F99 L100 R119 V122 | L45-L96 HydrophobicContact CD2-CD2 3.96Å; E92-L96 WeakPolarHBondContact O-CB 3.44Å; E92-L96 PolarHBondContact O-N 2.92Å; L93-L96 PolarHBondContact O-N 3.04Å; L94-L96 VanDerWaalsContact C-N 3.33Å; L96-Q98 VanDerWaalsContact C-N 3.31Å; L96-Q98 PolarHBondContact O-N 2.87Å; L96-F99 PolarHBondContact O-N 3.19Å; L96-L100 HydrophobicContact CD1-CD1 4.44Å; L96-L100 HydrophobicContact CD1-CG 4.38Å; L96-L100 HydrophobicContact CG-CD1 4.34Å; L96-L100 WeakPolarHBondContact O-CG 3.17Å; L96-L100 PolarHBondContact O-N 3.04Å; L96-R119 HydrophobicContact CD1-CB 4.07Å; L96-R119 HydrophobicContact CD1-CG 4.37Å; L96-R119 HydrophobicContact CD2-CB 4.38Å; L96-V122 HydrophobicContact CD1-CB 4.32Å; L96-V122 HydrophobicContact CD1-CG2 3.88Å |
| 97 | E | 86.8 | Confident | 88.1 | Confident | 27 Ų | 27 | 73.8 Ų | 73.8 | 13% | 0.126 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -52.3 | -52.1 | 172.8 | 179.2 | -162.5 | -163.2 | 0 | 0 | 110.1 | C51 R55 W79 L93 F99 L100 I101 | C51-E97 PolarHBondContact SG-OE1 3.09Å; R55-E97 IonicContact CZ-OE1 3.61Å; R55-E97 IonicContact CZ-OE2 2.85Å; R55-E97 IonicContact NE-OE1 2.68Å; R55-E97 PolarHBondContact NE-OE1 3.21Å; R55-E97 IonicContact NE-OE2 2.67Å; R55-E97 IonicContact NH2-OE1 3.68Å; R55-E97 PolarHBondContact NH2-OE1 3.46Å; R55-E97 IonicContact NH2-OE2 3.05Å; R55-E97 PolarHBondContact NH2-OE2 2.84Å; W79-E97 WeakPolarHBondContact CH2-OE2 3.43Å; W79-E97 HydrophobicContact CZ2-CB 4.41Å; W79-E97 HydrophobicContact CZ2-CG 4.45Å; L93-E97 PolarHBondContact O-N 3.09Å; E97-F99 VanDerWaalsContact C-N 3.33Å; E97-F99 PolarHBondContact O-N 3.29Å; E97-L100 PolarHBondContact O-N 3.02Å; E97-I101 HydrophobicContact CG-CD1 3.97Å; E97-I101 WeakPolarHBondContact O-CG1 3.34Å; E97-I101 PolarHBondContact O-N 2.87Å; E97-I101 VanDerWaalsContact O-N 3.1Å |
| 98 | Q | 90.1 | Very high | 87.5 | Confident | 102 Ų | 102 | 67.5 Ų | 67.5 | 48% | 0.477 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.8 | -38.8 | -177.8 | -175.1 | 57.3 | 77.4 | 0 | 0 | 112.3 | L94 V95 L96 I101 I102 | L94-Q98 WeakPolarHBondContact O-CB 3.35Å; L94-Q98 PolarHBondContact O-N 2.77Å; V95-Q98 PolarHBondContact O-N 2.88Å; L96-Q98 VanDerWaalsContact C-N 3.31Å; L96-Q98 PolarHBondContact O-N 2.87Å; Q98-I101 PolarHBondContact O-N 3.48Å; Q98-I102 PolarHBondContact O-N 3.1Å |
| 99 | F | 86.4 | Confident | 86.9 | Confident | 65 Ų | 65 | 64 Ų | 64 | 29% | 0.285 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 177.8 | -176.8 | -115.7 | 0 | 0 | 0 | 110.9 | V95 L96 E97 I101 I102 L103 V122 V123 L126 | V95-F99 VanDerWaalsContact O-CB 3.28Å; V95-F99 WeakPolarHBondContact O-CB 3.2Å; V95-F99 PolarHBondContact O-N 3.13Å; L96-F99 PolarHBondContact O-N 3.19Å; E97-F99 VanDerWaalsContact C-N 3.33Å; E97-F99 PolarHBondContact O-N 3.29Å; F99-I101 VanDerWaalsContact C-N 3.33Å; F99-I101 PolarHBondContact O-N 3.24Å; F99-I102 HydrophobicContact CD2-CD1 4.41Å; F99-I102 WeakPolarHBondContact O-CG1 3.25Å; F99-I102 PolarHBondContact O-N 3.39Å; F99-L103 HydrophobicContact CZ-CD2 4.34Å; F99-L103 WeakPolarHBondContact O-CG 3.48Å; F99-L103 PolarHBondContact O-N 3.32Å; F99-V122 HydrophobicContact CD1-CG1 4.04Å; F99-V122 HydrophobicContact CE1-CG1 3.77Å; F99-V123 HydrophobicContact CE1-CG2 4.48Å; F99-L126 HydrophobicContact CE1-CD1 3.42Å; F99-L126 VanDerWaalsContact CE1-CD1 3.42Å; F99-L126 HydrophobicContact CZ-CD1 3.48Å; F99-L126 VanDerWaalsContact CZ-CD1 3.48Å |
| 100 | L | 83.4 | Confident | 86.6 | Confident | 17 Ų | 17 | 64.9 Ų | 64.9 | 9% | 0.089 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.3 | -37.8 | 177.1 | -66.7 | 173 | 0 | 0 | 0 | 112.4 | W32 L96 E97 I102 L103 Q108 V111 V122 | W32-L100 HydrophobicContact CH2-CB 4.36Å; L96-L100 HydrophobicContact CD1-CD1 4.44Å; L96-L100 HydrophobicContact CD1-CG 4.38Å; L96-L100 HydrophobicContact CG-CD1 4.34Å; L96-L100 WeakPolarHBondContact O-CG 3.17Å; L96-L100 PolarHBondContact O-N 3.04Å; E97-L100 PolarHBondContact O-N 3.02Å; L100-I102 PolarHBondContact O-N 3.31Å; L100-L103 HydrophobicContact CD2-CD1 4.07Å; L100-L103 PolarHBondContact O-N 3.31Å; L100-Q108 PolarHBondContact O-NE2 3.49Å; L100-Q108 VanDerWaalsContact O-NE2 3.15Å; L100-V111 HydrophobicContact CD2-CG1 3.82Å; L100-V122 HydrophobicContact CD2-CG1 3.8Å; L100-V122 HydrophobicContact CD2-CG2 4.26Å |
| 101 | I | 86.3 | Confident | 86.3 | Confident | 92 Ų | 92 | 63.7 Ų | 63.7 | 47% | 0.472 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.4 | -38.4 | 178.3 | -72 | 167.7 | 0 | 0 | 0 | 112.3 | E97 Q98 F99 L103 Q108 | E97-I101 HydrophobicContact CG-CD1 3.97Å; E97-I101 WeakPolarHBondContact O-CG1 3.34Å; E97-I101 PolarHBondContact O-N 2.87Å; E97-I101 VanDerWaalsContact O-N 3.1Å; Q98-I101 PolarHBondContact O-N 3.48Å; F99-I101 VanDerWaalsContact C-N 3.33Å; F99-I101 PolarHBondContact O-N 3.24Å; I101-L103 VanDerWaalsContact C-N 3.33Å; I101-Q108 PolarHBondContact O-NE2 2.97Å |
| 102 | I | 88.3 | Confident | 85.5 | Confident | 117 Ų | 117 | 62 Ų | 62 | 60% | 0.6 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -82 | -10.5 | -176.5 | 63.3 | 168.9 | 0 | 0 | 0 | 113.8 | Q98 F99 L100 | Q98-I102 PolarHBondContact O-N 3.1Å; F99-I102 HydrophobicContact CD2-CD1 4.41Å; F99-I102 WeakPolarHBondContact O-CG1 3.25Å; F99-I102 PolarHBondContact O-N 3.39Å; L100-I102 PolarHBondContact O-N 3.31Å |
| 103 | L | 86.9 | Confident | 85.1 | Confident | 19 Ų | 19 | 63.5 Ų | 63.5 | 10% | 0.099 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -63.8 | 141.5 | 178 | -70.7 | 174.5 | 0 | 0 | 0 | 110.9 | F99 L100 I101 L107 Q108 V111 L126 | F99-L103 HydrophobicContact CZ-CD2 4.34Å; F99-L103 WeakPolarHBondContact O-CG 3.48Å; F99-L103 PolarHBondContact O-N 3.32Å; L100-L103 HydrophobicContact CD2-CD1 4.07Å; L100-L103 PolarHBondContact O-N 3.31Å; I101-L103 VanDerWaalsContact C-N 3.33Å; L103-L107 HydrophobicContact CB-CB 4.43Å; L103-L107 HydrophobicContact CD2-CB 4.47Å; L103-L107 HydrophobicContact CD2-CD1 4.41Å; L103-Q108 HydrophobicContact CB-CG 3.65Å; L103-Q108 PolarHBondContact O-NE2 3.23Å; L103-V111 HydrophobicContact CD1-CG2 4.15Å; L103-L126 HydrophobicContact CD1-CD1 3.97Å; L103-L126 HydrophobicContact CD1-CD2 4.28Å; L103-L126 HydrophobicContact CD2-CD1 3.73Å; L103-L126 HydrophobicContact CD2-CD2 4.24Å; L103-L126 HydrophobicContact CG-CD1 4.49Å |
| 104 | P | 87.3 | Confident | 84.5 | Confident | 71 Ų | 71 | 67.3 Ų | 67.3 | 46% | 0.461 | 34% | 0.335 | S | S | . | . | trans | -55.3 | 151.6 | 164.1 | -23.1 | 32.8 | 0 | 0 | 0 | 111.7 | E106 L107 Q108 | P104-E106 WeakPolarHBondContact CB-OE2 3.31Å; P104-E106 PolarHBondContact O-N 3.31Å; P104-L107 HydrophobicContact CG-CD1 4.36Å; P104-L107 PolarHBondContact O-N 2.67Å; P104-Q108 WeakPolarHBondContact O-CG 3.45Å; P104-Q108 PolarHBondContact O-N 3.44Å | ||
| 105 | K | 83.4 | Confident | 83.6 | Confident | 120 Ų | 120 | 69.5 Ų | 69.5 | 52% | 0.522 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.3 | -34.9 | -175.1 | -69.1 | -173.8 | 179.6 | -172.1 | 0 | 112.8 | T31 Q108 A109 | T31-K105 HydrophobicContact CG2-CD 4.27Å; K105-Q108 PolarHBondContact O-N 3.29Å; K105-A109 PolarHBondContact O-N 3.08Å |
| 106 | E | 84.9 | Confident | 82.7 | Confident | 138 Ų | 138 | 66.6 Ų | 66.6 | 65% | 0.645 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.1 | -45 | 179.3 | -58.6 | 70.4 | -151.6 | 0 | 0 | 110.3 | P104 R110 | P104-E106 WeakPolarHBondContact CB-OE2 3.31Å; P104-E106 PolarHBondContact O-N 3.31Å; E106-R110 VanDerWaalsContact O-CG 3.32Å; E106-R110 WeakPolarHBondContact O-CG 3.45Å; E106-R110 PolarHBondContact O-N 2.92Å |
| 107 | L | 84.9 | Confident | 81.9 | Confident | 54 Ų | 54 | 71.5 Ų | 71.5 | 28% | 0.283 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -71.9 | -36.2 | 177.5 | -63.7 | -174.1 | 0 | 0 | 0 | 111.7 | L103 P104 R110 V111 L126 L129 | L103-L107 HydrophobicContact CB-CB 4.43Å; L103-L107 HydrophobicContact CD2-CB 4.47Å; L103-L107 HydrophobicContact CD2-CD1 4.41Å; P104-L107 HydrophobicContact CG-CD1 4.36Å; P104-L107 PolarHBondContact O-N 2.67Å; L107-R110 PolarHBondContact O-N 3.04Å; L107-V111 WeakPolarHBondContact O-CG2 3.45Å; L107-V111 PolarHBondContact O-N 3.33Å; L107-L126 HydrophobicContact CB-CD2 3.86Å; L107-L126 HydrophobicContact CD1-CD2 4.19Å; L107-L126 HydrophobicContact CD2-CD2 4.31Å; L107-L126 HydrophobicContact CG-CD2 4.34Å; L107-L129 HydrophobicContact CD2-CD1 4.48Å |
| 108 | Q | 83.8 | Confident | 81.1 | Confident | 17 Ų | 17 | 71.8 Ų | 71.8 | 8% | 0.079 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.7 | -50.8 | 173.3 | -70.4 | 174.6 | -3.2 | 0 | 0 | 111 | W32 L100 I101 L103 P104 K105 R110 V111 Q112 | W32-Q108 HydrophobicContact CH2-CB 3.88Å; W32-Q108 HydrophobicContact CH2-CG 3.63Å; W32-Q108 HydrophobicContact CZ2-CB 4.11Å; W32-Q108 HydrophobicContact CZ2-CG 3.53Å; W32-Q108 VanDerWaalsContact CZ2-OE1 3.28Å; L100-Q108 PolarHBondContact O-NE2 3.49Å; L100-Q108 VanDerWaalsContact O-NE2 3.15Å; I101-Q108 PolarHBondContact O-NE2 2.97Å; L103-Q108 HydrophobicContact CB-CG 3.65Å; L103-Q108 PolarHBondContact O-NE2 3.23Å; P104-Q108 WeakPolarHBondContact O-CG 3.45Å; P104-Q108 PolarHBondContact O-N 3.44Å; K105-Q108 PolarHBondContact O-N 3.29Å; Q108-R110 PolarHBondContact O-N 3.39Å; Q108-V111 PolarHBondContact O-N 3.22Å; Q108-Q112 VanDerWaalsContact O-CG 3.27Å; Q108-Q112 WeakPolarHBondContact O-CG 3.45Å; Q108-Q112 PolarHBondContact O-N 2.91Å |
| 109 | A | 81.7 | Confident | 80.4 | Confident | 44 Ų | 44 | 71.7 Ų | 71.7 | 36% | 0.364 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -56.6 | -40.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K105 Q112 E113 | K105-A109 PolarHBondContact O-N 3.08Å; A109-Q112 WeakPolarHBondContact O-CB 3.46Å; A109-Q112 PolarHBondContact O-N 3.36Å; A109-E113 WeakPolarHBondContact O-CG 3.48Å; A109-E113 PolarHBondContact O-N 2.96Å; A109-E113 VanDerWaalsContact O-N 3.09Å |
| 110 | R | 81.9 | Confident | 80.1 | Confident | 111 Ų | 111 | 73.9 Ų | 73.9 | 42% | 0.419 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68 | -43.8 | 177.2 | -62.6 | -63.6 | -126.8 | 170.9 | 6.8 | 112.9 | E106 L107 Q108 Q112 E113 H114 L129 | E106-R110 VanDerWaalsContact O-CG 3.32Å; E106-R110 WeakPolarHBondContact O-CG 3.45Å; E106-R110 PolarHBondContact O-N 2.92Å; L107-R110 PolarHBondContact O-N 3.04Å; Q108-R110 PolarHBondContact O-N 3.39Å; R110-Q112 PolarHBondContact O-N 3.42Å; R110-E113 WeakPolarHBondContact CD-OE2 3.38Å; R110-E113 IonicContact NH1-OE2 2.73Å; R110-E113 PolarHBondContact NH1-OE2 3.06Å; R110-E113 WeakPolarHBondContact O-CB 3.28Å; R110-E113 PolarHBondContact O-N 2.96Å; R110-E113 VanDerWaalsContact O-N 3.16Å; R110-H114 PolarHBondContact O-CD2 3.38Å; R110-H114 VanDerWaalsContact O-CD2 3.27Å; R110-H114 PolarHBondContact O-N 2.91Å; R110-L129 HydrophobicContact CB-CD1 3.39Å; R110-L129 HydrophobicContact CB-CD2 4.21Å; R110-L129 HydrophobicContact CB-CG 4.45Å; R110-L129 HydrophobicContact CG-CD1 3.98Å; R110-L129 HydrophobicContact CG-CD2 4.11Å |
| 111 | V | 83.3 | Confident | 79.9 | Confident | 8 Ų | 8 | 76.2 Ų | 76.2 | 5% | 0.048 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.1 | -38 | 174.5 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | L100 L103 L107 Q108 H114 H115 P116 V122 V125 L126 | L100-V111 HydrophobicContact CD2-CG1 3.82Å; L103-V111 HydrophobicContact CD1-CG2 4.15Å; L107-V111 WeakPolarHBondContact O-CG2 3.45Å; L107-V111 PolarHBondContact O-N 3.33Å; Q108-V111 PolarHBondContact O-N 3.22Å; V111-H114 PolarHBondContact O-N 3Å; V111-H115 PolarHBondContact O-N 2.91Å; V111-P116 HydrophobicContact CG1-CG 3.72Å; V111-P116 WeakPolarHBondContact O-CD 3.37Å; V111-V122 HydrophobicContact CG1-CG1 3.98Å; V111-V122 HydrophobicContact CG1-CG2 4.27Å; V111-V122 HydrophobicContact CG2-CG1 4.12Å; V111-V125 HydrophobicContact CG2-CG1 4.34Å; V111-L126 HydrophobicContact CG2-CD1 4.49Å; V111-L126 HydrophobicContact CG2-CD2 3.61Å; V111-L126 HydrophobicContact CG2-CG 3.91Å |
| 112 | Q | 77.3 | Confident | 79.8 | Confident | 51 Ų | 51 | 71.8 Ų | 71.8 | 24% | 0.238 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 176.2 | -63.7 | 178.4 | 2.2 | 0 | 0 | 112.6 | W32 F36 Q108 A109 R110 H114 H115 | W32-Q112 HydrophobicContact CZ3-CG 4.22Å; F36-Q112 HydrophobicContact CE2-CG 4.18Å; F36-Q112 HydrophobicContact CZ-CB 3.91Å; F36-Q112 HydrophobicContact CZ-CG 3.71Å; Q108-Q112 VanDerWaalsContact O-CG 3.27Å; Q108-Q112 WeakPolarHBondContact O-CG 3.45Å; Q108-Q112 PolarHBondContact O-N 2.91Å; A109-Q112 WeakPolarHBondContact O-CB 3.46Å; A109-Q112 PolarHBondContact O-N 3.36Å; R110-Q112 PolarHBondContact O-N 3.42Å; Q112-H114 PolarHBondContact O-N 2.9Å; Q112-H115 PolarHBondContact O-CE1 3.19Å; Q112-H115 VanDerWaalsContact O-CE1 3.31Å; Q112-H115 PolarHBondContact O-N 2.93Å; Q112-H115 PolarHBondContact O-ND1 3.33Å |
| 113 | E | 79.6 | Confident | 79.6 | Confident | 115 Ų | 115 | 68.5 Ų | 68.5 | 54% | 0.537 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.1 | -37.8 | 176.6 | -73.1 | 170.3 | -178.2 | 0 | 0 | 111.8 | A109 R110 H115 | A109-E113 WeakPolarHBondContact O-CG 3.48Å; A109-E113 PolarHBondContact O-N 2.96Å; A109-E113 VanDerWaalsContact O-N 3.09Å; R110-E113 WeakPolarHBondContact CD-OE2 3.38Å; R110-E113 IonicContact NH1-OE2 2.73Å; R110-E113 PolarHBondContact NH1-OE2 3.06Å; R110-E113 WeakPolarHBondContact O-CB 3.28Å; R110-E113 PolarHBondContact O-N 2.96Å; R110-E113 VanDerWaalsContact O-N 3.16Å; E113-H115 PolarHBondContact O-ND1 3.48Å |
| 114 | H | 73.3 | Confident | 79.6 | Confident | 110 Ų | 110 | 71 Ų | 71 | 51% | 0.509 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -86.6 | -7.4 | -174.2 | -76.8 | -99.9 | 0 | 0 | 0 | 115.3 | R110 V111 Q112 V125 | R110-H114 PolarHBondContact O-CD2 3.38Å; R110-H114 VanDerWaalsContact O-CD2 3.27Å; R110-H114 PolarHBondContact O-N 2.91Å; V111-H114 PolarHBondContact O-N 3Å; Q112-H114 PolarHBondContact O-N 2.9Å; H114-V125 HydrophobicContact CB-CG1 3.99Å; H114-V125 HydrophobicContact CB-CG2 3.67Å |
| 115 | H | 70.4 | Confident | 79.5 | Confident | 100 Ų | 100 | 68.4 Ų | 68.4 | 46% | 0.463 | 33% | 0.334 | S | S | . | . | trans | 43.5 | 59.2 | 177.6 | -59.5 | 77.8 | 0 | 0 | 0 | 115 | V111 Q112 E113 | V111-H115 PolarHBondContact O-N 2.91Å; Q112-H115 PolarHBondContact O-CE1 3.19Å; Q112-H115 VanDerWaalsContact O-CE1 3.31Å; Q112-H115 PolarHBondContact O-N 2.93Å; Q112-H115 PolarHBondContact O-ND1 3.33Å; E113-H115 PolarHBondContact O-ND1 3.48Å | ||
| 116 | P | 72.3 | Confident | 79.6 | Confident | 10 Ų | 10 | 63.1 Ų | 63.1 | 7% | 0.065 | 31% | 0.311 | C | S | . | . | trans | -56.9 | 158.3 | -179.3 | 5.1 | -8.2 | 0 | 0 | 0 | 112.5 | L45 V111 D121 V122 | L45-P116 WeakPolarHBondContact CB-O 3.33Å; L45-P116 HydrophobicContact CD1-CB 3.84Å; L45-P116 HydrophobicContact CD1-CG 3.61Å; L45-P116 WeakPolarHBondContact CD1-O 3.3Å; L45-P116 WeakPolarHBondContact CG-O 3.46Å; V111-P116 HydrophobicContact CG1-CG 3.72Å; V111-P116 WeakPolarHBondContact O-CD 3.37Å; P116-D121 HydrophobicContact CB-CB 3.58Å; P116-V122 HydrophobicContact CB-CG2 3.67Å; P116-V122 HydrophobicContact CG-CB 4.47Å; P116-V122 HydrophobicContact CG-CG2 3.53Å | ||
| 117 | E | 67.3 | Low | 79.8 | Confident | 113 Ų | 113 | 61.8 Ų | 61.8 | 53% | 0.528 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -114.9 | -10 | 174.7 | -65.4 | -159.8 | 139.2 | 0 | 0 | 112.5 | S42 G44 D121 | S42-E117 VanDerWaalsContact CB-OE1 3.28Å; S42-E117 WeakPolarHBondContact CB-OE1 3.26Å; S42-E117 PolarHBondContact OG-OE1 3.27Å; G44-E117 WeakPolarHBondContact CA-O 3.23Å; E117-D121 PolarHBondContact N-OD2 2.87Å |
| 118 | S | 71 | Confident | 79.8 | Confident | 34 Ų | 34 | 63.5 Ų | 63.5 | 24% | 0.238 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -144.7 | 168.8 | -178.9 | 67.5 | 0 | 0 | 0 | 0 | 112.1 | E120 D121 V122 | S118-E120 VanDerWaalsContact C-N 3.25Å; S118-E120 PolarHBondContact O-N 3.34Å; S118-D121 PolarHBondContact N-OD2 3.38Å; S118-D121 PolarHBondContact O-N 3.38Å; S118-D121 PolarHBondContact OG-N 3.09Å; S118-D121 VanDerWaalsContact OG-N 3.16Å; S118-D121 PolarHBondContact OG-OD1 3.15Å; S118-D121 PolarHBondContact OG-OD2 3.05Å; S118-V122 PolarHBondContact O-N 3.33Å |
| 119 | R | 74.8 | Confident | 79.7 | Confident | 99 Ų | 99 | 63.9 Ų | 63.9 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.6 | -44 | 172 | 171.9 | -173.1 | 171.1 | -168.7 | -8.2 | 110.8 | E92 L96 D121 V122 V123 | E92-R119 IonicContact OE1-NH1 2.79Å; E92-R119 WeakPolarHBondContact OE2-CD 3.5Å; E92-R119 IonicContact OE2-CZ 3.66Å; E92-R119 IonicContact OE2-NE 3.49Å; E92-R119 IonicContact OE2-NH1 3.6Å; E92-R119 PolarHBondContact OE2-NH1 3.3Å; L96-R119 HydrophobicContact CD1-CB 4.07Å; L96-R119 HydrophobicContact CD1-CG 4.37Å; L96-R119 HydrophobicContact CD2-CB 4.38Å; R119-D121 VanDerWaalsContact C-N 3.28Å; R119-D121 PolarHBondContact O-N 3.5Å; R119-V122 PolarHBondContact O-N 3.46Å; R119-V123 WeakPolarHBondContact O-CG2 3.46Å; R119-V123 PolarHBondContact O-N 3.4Å; R119-V123 VanDerWaalsContact O-N 3.09Å |
| 120 | E | 79.4 | Confident | 79.5 | Confident | 112 Ų | 112 | 67.6 Ų | 67.6 | 52% | 0.523 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.5 | -41.7 | -179.2 | -69.5 | 63.1 | -138.6 | 0 | 0 | 110.4 | S118 V122 V123 V124 | S118-E120 VanDerWaalsContact C-N 3.25Å; S118-E120 PolarHBondContact O-N 3.34Å; E120-V122 PolarHBondContact O-N 2.97Å; E120-V123 PolarHBondContact O-N 2.98Å; E120-V124 WeakPolarHBondContact O-CG2 3.49Å; E120-V124 PolarHBondContact O-N 2.86Å |
| 121 | D | 79.8 | Confident | 79.1 | Confident | 65 Ų | 65 | 67.5 Ų | 67.5 | 35% | 0.348 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 176.7 | -56.5 | -32.3 | 0 | 0 | 0 | 112.1 | P116 E117 S118 R119 V123 V124 V125 | P116-D121 HydrophobicContact CB-CB 3.58Å; E117-D121 PolarHBondContact N-OD2 2.87Å; S118-D121 PolarHBondContact N-OD2 3.38Å; S118-D121 PolarHBondContact O-N 3.38Å; S118-D121 PolarHBondContact OG-N 3.09Å; S118-D121 VanDerWaalsContact OG-N 3.16Å; S118-D121 PolarHBondContact OG-OD1 3.15Å; S118-D121 PolarHBondContact OG-OD2 3.05Å; R119-D121 VanDerWaalsContact C-N 3.28Å; R119-D121 PolarHBondContact O-N 3.5Å; D121-V123 VanDerWaalsContact C-N 3.31Å; D121-V123 PolarHBondContact O-N 3.04Å; D121-V124 PolarHBondContact O-N 3.39Å; D121-V125 VanDerWaalsContact O-CG2 3.31Å; D121-V125 WeakPolarHBondContact O-CG2 3.23Å; D121-V125 PolarHBondContact O-N 2.96Å |
| 122 | V | 83.5 | Confident | 78.5 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 176.1 | -179 | 0 | 0 | 0 | 0 | 110.7 | L96 F99 L100 V111 P116 S118 R119 E120 V125 L126 | L96-V122 HydrophobicContact CD1-CB 4.32Å; L96-V122 HydrophobicContact CD1-CG2 3.88Å; F99-V122 HydrophobicContact CD1-CG1 4.04Å; F99-V122 HydrophobicContact CE1-CG1 3.77Å; L100-V122 HydrophobicContact CD2-CG1 3.8Å; L100-V122 HydrophobicContact CD2-CG2 4.26Å; V111-V122 HydrophobicContact CG1-CG1 3.98Å; V111-V122 HydrophobicContact CG1-CG2 4.27Å; V111-V122 HydrophobicContact CG2-CG1 4.12Å; P116-V122 HydrophobicContact CB-CG2 3.67Å; P116-V122 HydrophobicContact CG-CB 4.47Å; P116-V122 HydrophobicContact CG-CG2 3.53Å; S118-V122 PolarHBondContact O-N 3.33Å; R119-V122 PolarHBondContact O-N 3.46Å; E120-V122 PolarHBondContact O-N 2.97Å; V122-V125 PolarHBondContact O-N 3.36Å; V122-L126 HydrophobicContact CG1-CD1 4Å; V122-L126 HydrophobicContact CG1-CG 4.48Å; V122-L126 VanDerWaalsContact O-CG 3.28Å; V122-L126 WeakPolarHBondContact O-CG 3.45Å; V122-L126 PolarHBondContact O-N 3Å; V122-L126 VanDerWaalsContact O-N 3.09Å |
| 123 | V | 84.3 | Confident | 77.8 | Confident | 47 Ų | 47 | 76 Ų | 76 | 29% | 0.285 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.2 | -46 | 179.6 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | F99 R119 E120 D121 V125 L126 E127 | F99-V123 HydrophobicContact CE1-CG2 4.48Å; R119-V123 WeakPolarHBondContact O-CG2 3.46Å; R119-V123 PolarHBondContact O-N 3.4Å; R119-V123 VanDerWaalsContact O-N 3.09Å; E120-V123 PolarHBondContact O-N 2.98Å; D121-V123 VanDerWaalsContact C-N 3.31Å; D121-V123 PolarHBondContact O-N 3.04Å; V123-V125 PolarHBondContact O-N 3.37Å; V123-L126 PolarHBondContact O-N 3.05Å; V123-L126 VanDerWaalsContact O-N 3.12Å; V123-E127 HydrophobicContact CG1-CG 4.2Å; V123-E127 WeakPolarHBondContact O-CG 3.43Å; V123-E127 PolarHBondContact O-N 3.08Å |
| 124 | V | 87 | Confident | 76.8 | Confident | 73 Ų | 73 | 73 Ų | 73 | 44% | 0.442 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57.4 | -48.2 | 177.6 | 171.7 | 0 | 0 | 0 | 0 | 111 | E120 D121 L126 E127 D128 | E120-V124 WeakPolarHBondContact O-CG2 3.49Å; E120-V124 PolarHBondContact O-N 2.86Å; D121-V124 PolarHBondContact O-N 3.39Å; V124-L126 VanDerWaalsContact C-N 3.27Å; V124-L126 PolarHBondContact O-N 3.04Å; V124-E127 PolarHBondContact O-N 3.03Å; V124-D128 PolarHBondContact O-N 3.19Å |
| 125 | V | 85.3 | Confident | 75.8 | Confident | 16 Ų | 16 | 75.1 Ų | 75.1 | 10% | 0.097 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -57.8 | -41.9 | 177.4 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | V111 H114 D121 V122 V123 L129 | V111-V125 HydrophobicContact CG2-CG1 4.34Å; H114-V125 HydrophobicContact CB-CG1 3.99Å; H114-V125 HydrophobicContact CB-CG2 3.67Å; D121-V125 VanDerWaalsContact O-CG2 3.31Å; D121-V125 WeakPolarHBondContact O-CG2 3.23Å; D121-V125 PolarHBondContact O-N 2.96Å; V122-V125 PolarHBondContact O-N 3.36Å; V123-V125 PolarHBondContact O-N 3.37Å; V125-L129 HydrophobicContact CG1-CD1 4.01Å; V125-L129 WeakPolarHBondContact O-CD1 3.15Å; V125-L129 WeakPolarHBondContact O-CG 3.34Å; V125-L129 PolarHBondContact O-N 3.09Å |
| 126 | L | 86.6 | Confident | 74.7 | Confident | 9 Ų | 9 | 75.9 Ų | 75.9 | 5% | 0.047 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -72.5 | -31.8 | -179.9 | -69.2 | 172.8 | 0 | 0 | 0 | 113.7 | F99 L103 L107 V111 V122 V123 V124 L129 Q130 | F99-L126 HydrophobicContact CE1-CD1 3.42Å; F99-L126 VanDerWaalsContact CE1-CD1 3.42Å; F99-L126 HydrophobicContact CZ-CD1 3.48Å; F99-L126 VanDerWaalsContact CZ-CD1 3.48Å; L103-L126 HydrophobicContact CD1-CD1 3.97Å; L103-L126 HydrophobicContact CD1-CD2 4.28Å; L103-L126 HydrophobicContact CD2-CD1 3.73Å; L103-L126 HydrophobicContact CD2-CD2 4.24Å; L103-L126 HydrophobicContact CG-CD1 4.49Å; L107-L126 HydrophobicContact CB-CD2 3.86Å; L107-L126 HydrophobicContact CD1-CD2 4.19Å; L107-L126 HydrophobicContact CD2-CD2 4.31Å; L107-L126 HydrophobicContact CG-CD2 4.34Å; V111-L126 HydrophobicContact CG2-CD1 4.49Å; V111-L126 HydrophobicContact CG2-CD2 3.61Å; V111-L126 HydrophobicContact CG2-CG 3.91Å; V122-L126 HydrophobicContact CG1-CD1 4Å; V122-L126 HydrophobicContact CG1-CG 4.48Å; V122-L126 VanDerWaalsContact O-CG 3.28Å; V122-L126 WeakPolarHBondContact O-CG 3.45Å; V122-L126 PolarHBondContact O-N 3Å; V122-L126 VanDerWaalsContact O-N 3.09Å; V123-L126 PolarHBondContact O-N 3.05Å; V123-L126 VanDerWaalsContact O-N 3.12Å; V124-L126 VanDerWaalsContact C-N 3.27Å; V124-L126 PolarHBondContact O-N 3.04Å; L126-L129 HydrophobicContact CD2-CD1 4.47Å; L126-Q130 WeakPolarHBondContact O-CG 3.12Å; L126-Q130 PolarHBondContact O-N 3.04Å; L126-Q130 PolarHBondContact O-NE2 3.28Å |
| 127 | E | 87.8 | Confident | 73.7 | Confident | 110 Ų | 110 | 78.4 Ų | 78.4 | 51% | 0.514 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -70.6 | -44.4 | 175.5 | -73.8 | 178.9 | 168.4 | 0 | 0 | 110.9 | V123 V124 L129 Q130 L131 | V123-E127 HydrophobicContact CG1-CG 4.2Å; V123-E127 WeakPolarHBondContact O-CG 3.43Å; V123-E127 PolarHBondContact O-N 3.08Å; V124-E127 PolarHBondContact O-N 3.03Å; E127-L129 VanDerWaalsContact C-N 3.31Å; E127-L129 PolarHBondContact O-N 2.73Å; E127-Q130 WeakPolarHBondContact O-CB 3.45Å; E127-Q130 PolarHBondContact O-N 3.15Å; E127-Q130 VanDerWaalsContact O-N 3.08Å; E127-L131 PolarHBondContact O-N 2.82Å; E127-L131 VanDerWaalsContact O-N 3.15Å |
| 128 | D | 84.7 | Confident | 72.6 | Confident | 89 Ų | 89 | 81.6 Ų | 81.6 | 48% | 0.476 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.2 | -42.8 | 176 | -71.6 | -17.4 | 0 | 0 | 0 | 111.4 | V124 Q130 L131 D132 | V124-D128 PolarHBondContact O-N 3.19Å; D128-Q130 VanDerWaalsContact C-N 3.28Å; D128-Q130 PolarHBondContact O-N 3.26Å; D128-L131 PolarHBondContact O-N 2.83Å; D128-D132 PolarHBondContact O-N 2.98Å; D128-D132 VanDerWaalsContact O-N 3.12Å |
| 129 | L | 82.2 | Confident | 71.2 | Confident | 25 Ų | 25 | 89 Ų | 89 | 13% | 0.131 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -64.1 | -30.7 | 176.4 | -69.5 | 166.3 | 0 | 0 | 0 | 113.4 | L107 R110 V125 L126 E127 L133 | L107-L129 HydrophobicContact CD2-CD1 4.48Å; R110-L129 HydrophobicContact CB-CD1 3.39Å; R110-L129 HydrophobicContact CB-CD2 4.21Å; R110-L129 HydrophobicContact CB-CG 4.45Å; R110-L129 HydrophobicContact CG-CD1 3.98Å; R110-L129 HydrophobicContact CG-CD2 4.11Å; V125-L129 HydrophobicContact CG1-CD1 4.01Å; V125-L129 WeakPolarHBondContact O-CD1 3.15Å; V125-L129 WeakPolarHBondContact O-CG 3.34Å; V125-L129 PolarHBondContact O-N 3.09Å; L126-L129 HydrophobicContact CD2-CD1 4.47Å; E127-L129 VanDerWaalsContact C-N 3.31Å; E127-L129 PolarHBondContact O-N 2.73Å; L129-L133 PolarHBondContact O-N 3.46Å |
| 130 | Q | 77.3 | Confident | 69.5 | Low | 123 Ų | 123 | 90.7 Ų | 90.7 | 58% | 0.575 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -72.5 | -35.5 | 176.5 | -77.4 | 167.2 | 62.7 | 0 | 0 | 111.7 | L126 E127 D128 L133 G134 | L126-Q130 WeakPolarHBondContact O-CG 3.12Å; L126-Q130 PolarHBondContact O-N 3.04Å; L126-Q130 PolarHBondContact O-NE2 3.28Å; E127-Q130 WeakPolarHBondContact O-CB 3.45Å; E127-Q130 PolarHBondContact O-N 3.15Å; E127-Q130 VanDerWaalsContact O-N 3.08Å; D128-Q130 VanDerWaalsContact C-N 3.28Å; D128-Q130 PolarHBondContact O-N 3.26Å; Q130-L133 PolarHBondContact O-N 3.5Å; Q130-G134 PolarHBondContact O-N 3.36Å |
| 131 | L | 75.1 | Confident | 67.9 | Low | 109 Ų | 109 | 91.4 Ų | 91.4 | 57% | 0.571 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.4 | -46.7 | 175.3 | -64.6 | 174.3 | 0 | 0 | 0 | 110.9 | E127 D128 L133 G134 E135 | E127-L131 PolarHBondContact O-N 2.82Å; E127-L131 VanDerWaalsContact O-N 3.15Å; D128-L131 PolarHBondContact O-N 2.83Å; L131-L133 PolarHBondContact O-N 3.31Å; L131-G134 PolarHBondContact O-N 3.45Å; L131-E135 WeakPolarHBondContact O-CG 3.41Å; L131-E135 PolarHBondContact O-N 3.08Å |
| 132 | D | 68.8 | Low | 66.4 | Low | 100 Ų | 100 | 94.5 Ų | 94.5 | 54% | 0.535 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.7 | -36.4 | 176.4 | -78.3 | -6 | 0 | 0 | 0 | 112.6 | D128 | D128-D132 PolarHBondContact O-N 2.98Å; D128-D132 VanDerWaalsContact O-N 3.12Å |
| 133 | L | 63 | Low | 64.3 | Low | 136 Ų | 136 | 103 Ų | 103 | 71% | 0.712 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -76 | -31.1 | 177.5 | -167.6 | 63.5 | 0 | 0 | 0 | 112.4 | L129 Q130 L131 T136 | L129-L133 PolarHBondContact O-N 3.46Å; Q130-L133 PolarHBondContact O-N 3.5Å; L131-L133 PolarHBondContact O-N 3.31Å; L133-T136 PolarHBondContact O-OG1 2.75Å; L133-T136 VanDerWaalsContact O-OG1 3.04Å |
| 134 | G | 58.6 | Low | 62.4 | Low | 52 Ų | 52 | 106 Ų | 106 | 54% | 0.536 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -75.5 | -32.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | Q130 L131 T136 G137 | Q130-G134 PolarHBondContact O-N 3.36Å; L131-G134 PolarHBondContact O-N 3.45Å; G134-T136 VanDerWaalsContact C-N 3.31Å; G134-T136 PolarHBondContact O-N 3.24Å; G134-G137 PolarHBondContact O-N 3.27Å |
| 135 | E | 53.7 | Low | 60.1 | Low | 156 Ų | 156 | 112.2 Ų | 112.2 | 73% | 0.729 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -74.5 | -19.3 | -179.5 | -71.1 | -171.9 | 161.9 | 0 | 0 | 113.4 | L131 G137 | L131-E135 WeakPolarHBondContact O-CG 3.41Å; L131-E135 PolarHBondContact O-N 3.08Å; E135-G137 VanDerWaalsContact C-N 3.27Å; E135-G137 PolarHBondContact O-N 3.22Å |
| 136 | T | 46.5 | Very low | 58.2 | Low | 116 Ų | 116 | 121 Ų | 121 | 71% | 0.712 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -2.9 | 175.7 | 55.7 | 0 | 0 | 0 | 0 | 113.9 | L133 G134 | L133-T136 PolarHBondContact O-OG1 2.75Å; L133-T136 VanDerWaalsContact O-OG1 3.04Å; G134-T136 VanDerWaalsContact C-N 3.31Å; G134-T136 PolarHBondContact O-N 3.24Å |
| 137 | G | 50.2 | Low | 56.3 | Low | 63 Ų | 63 | 128.7 Ų | 128.7 | 65% | 0.649 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 0.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | G134 E135 | G134-G137 PolarHBondContact O-N 3.27Å; E135-G137 VanDerWaalsContact C-N 3.27Å; E135-G137 PolarHBondContact O-N 3.22Å |
| 138 | Q | 44.8 | Very low | 54.4 | Low | 180 Ų | 180 | 133.4 Ų | 133.4 | 84% | 0.841 | 70% | 0.695 | S | S | * | * | trans | -128.2 | 66.8 | -178.6 | -70.3 | -170.5 | -36.2 | 0 | 0 | 112.8 | ||||
| 139 | Q | 43.1 | Very low | 52.8 | Low | 189 Ų | 189 | 136 Ų | 136 | 88% | 0.883 | 71% | 0.708 | S | S | * | * | trans | -111.1 | 92.6 | 146.9 | -71.7 | -157.2 | -30 | 0 | 0 | 108 | P141 | Q139-P141 VanDerWaalsContact O-CD 3.3Å; Q139-P141 WeakPolarHBondContact O-CD 3.2Å | ||
| 140 | D | 39 | Very low | 51.2 | Low | 135 Ų | 135 | 146.3 Ų | 146.3 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | -75.9 | 113 | 165.8 | -177.7 | 0.1 | 0 | 0 | 0 | 108.4 | D142 | D140-D142 PolarHBondContact OD1-N 3.1Š| ||
| 141 | P | 45.6 | Very low | 49.9 | Very low | 126 Ų | 126 | 147.5 Ų | 147.5 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -99.2 | 47.9 | 174.6 | 39 | -26.2 | 0 | 0 | 0 | 109.9 | Q139 | Q139-P141 VanDerWaalsContact O-CD 3.3Å; Q139-P141 WeakPolarHBondContact O-CD 3.2Å | ||
| 142 | D | 46.7 | Very low | 48.6 | Very low | 131 Ų | 131 | 149.5 Ų | 149.5 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | -129.4 | 72.5 | 174.4 | -138.4 | -2.9 | 0 | 0 | 0 | 113.1 | D140 | D140-D142 PolarHBondContact OD1-N 3.1Š| ||
| 143 | Q | 39.7 | Very low | 47.5 | Very low | 177 Ų | 177 | 152.3 Ų | 152.3 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | -98.8 | 112.6 | 158.4 | -92.1 | -165.4 | -8.5 | 0 | 0 | 110.9 | K145 | Q143-K145 PolarHBondContact O-N 2.73Š| ||
| 144 | P | 44.7 | Very low | 46.6 | Very low | 110 Ų | 110 | 153.2 Ų | 153.2 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | trans | -74.4 | 108.6 | 167.5 | 28.9 | -30.4 | 0 | 0 | 0 | 109.2 | K146 | P144-K146 PolarHBondContact O-N 2.5Š| ||
| 145 | K | 40 | Very low | 45.8 | Very low | 204 Ų | 204 | 159.6 Ų | 159.6 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | -66.8 | 94.5 | 171 | -67.7 | -176.9 | -178 | 179.8 | 0 | 109.8 | Q143 | Q143-K145 PolarHBondContact O-N 2.73Š| ||
| 146 | K | 44.2 | Very low | 45.3 | Very low | 200 Ų | 200 | 159.8 Ų | 159.8 | 87% | 0.87 | 82% | 0.822 | S | S | * | * | trans | -76.4 | 121.5 | 162.3 | -82.8 | -173.5 | 177.4 | 178.8 | 0 | 110.3 | P144 | P144-K146 PolarHBondContact O-N 2.5Š| ||
| 147 | Q | 46.6 | Very low | 45.2 | Very low | 172 Ų | 172 | 162.9 Ų | 162.9 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | -13.3 | 141.1 | 162.3 | -64.1 | 166.4 | -0.5 | 0 | 0 | 117.9 | ||||
| 148 | K | 47.3 | Very low | 44.8 | Very low | 209 Ų | 209 | 170.6 Ų | 170.6 | 91% | 0.909 | 84% | 0.844 | S | S | * | * | trans | -130.3 | 118.9 | 139.8 | -105.4 | -174.9 | -179.3 | -178.3 | 0 | 110.3 | ||||
| 149 | I | 52.2 | Low | 44.8 | Very low | 144 Ų | 144 | 169.8 Ų | 169.8 | 74% | 0.738 | 85% | 0.845 | S | S | * | * | trans | -51.4 | 135.1 | 164 | -70.6 | 149.4 | 0 | 0 | 0 | 110.5 | ||||
| 150 | L | 49.3 | Very low | 45 | Very low | 241 Ų | 241 | 168.1 Ų | 168.1 | 100% | 1.262 | 84% | 0.841 | S | S | * | * | -164.9 | 0 | 129 | -99.5 | 158.4 | 0 | 0 | 0 | 109.2 |
Retrieved 150 of 150 residues in 139.3 ms
(Link to these results)