| 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 | 49.5 | Very low | 52.8 | Low | 249 Ų | 249 | 142.6 Ų | 142.6 | 100% | 1.227 | 83% | 0.826 | S | S | * | * | 0 | 159 | 0 | -70.7 | -156.6 | 97.2 | 0 | 0 | 109 | |||||
| 2 | A | 51.1 | Low | 52.4 | Low | 101 Ų | 101 | 142.4 Ų | 142.4 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | 84.7 | 93.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 3 | T | 60.8 | Low | 52 | Low | 137 Ų | 137 | 139.9 Ų | 139.9 | 84% | 0.84 | 82% | 0.816 | S | S | * | * | trans | -55.4 | 148.3 | 144.5 | 48.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 4 | D | 63.8 | Low | 51.7 | Low | 165 Ų | 165 | 136.2 Ų | 136.2 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | trans | -149.2 | 138.8 | 141.2 | -165.4 | -118 | 0 | 0 | 0 | 110.6 | ||||
| 5 | D | 55.2 | Low | 51.9 | Low | 125 Ų | 125 | 138.2 Ų | 138.2 | 67% | 0.668 | 82% | 0.815 | S | S | * | * | trans | -129.3 | 142.5 | -166.6 | -156.8 | -46.1 | 0 | 0 | 0 | 106.7 | ||||
| 6 | K | 52.7 | Low | 52 | Low | 184 Ų | 184 | 137.4 Ų | 137.4 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | trans | 70.9 | 118.2 | 165.2 | -54.3 | -149.5 | 173.1 | 178.6 | 0 | 121.3 | ||||
| 7 | S | 51.5 | Low | 52.2 | Low | 120 Ų | 120 | 138.3 Ų | 138.3 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | -160.2 | 116.4 | 112 | 60.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 8 | S | 45.9 | Very low | 52.1 | Low | 110 Ų | 110 | 136.9 Ų | 136.9 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -85.9 | -177.1 | 159.2 | -29.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 9 | P | 56.1 | Low | 52.4 | Low | 111 Ų | 111 | 141.8 Ų | 141.8 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | cis | -133.8 | -172.9 | -27.3 | 29.3 | -6.6 | 0 | 0 | 0 | 113 | ||||
| 10 | T | 46.6 | Very low | 52.4 | Low | 118 Ų | 118 | 140.8 Ų | 140.8 | 72% | 0.724 | 81% | 0.807 | S | S | * | * | trans | 97.4 | 140.5 | 146.7 | -18.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 11 | L | 47.4 | Very low | 52.5 | Low | 149 Ų | 149 | 140 Ų | 140 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | trans | 89.7 | 94.6 | 164.8 | -61.3 | 173.7 | 0 | 0 | 0 | 115.2 | ||||
| 12 | D | 48.4 | Very low | 52.6 | Low | 140 Ų | 140 | 132.4 Ų | 132.4 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | 60.7 | 102.4 | 78.9 | -167.9 | 32.3 | 0 | 0 | 0 | 111.3 | |||||
| 13 | S | 47.2 | Very low | 52.7 | Low | 110 Ų | 110 | 132.6 Ų | 132.6 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | 175.7 | 111.6 | 139.3 | -83.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 14 | A | 48.2 | Very low | 52.8 | Low | 88 Ų | 88 | 132.6 Ų | 132.6 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 48.4 | 91 | 141.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | D16 | A14-D16 VanDerWaalsContact C-N 3.29Å; A14-D16 PolarHBondContact O-N 2.91Å | ||
| 15 | N | 54.3 | Low | 52.6 | Low | 166 Ų | 166 | 129 Ų | 129 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | trans | -45.8 | 91.8 | 144.3 | -174.4 | 10.4 | 0 | 0 | 0 | 110.6 | ||||
| 16 | D | 53.3 | Low | 52.8 | Low | 126 Ų | 126 | 130.1 Ų | 130.1 | 67% | 0.674 | 77% | 0.77 | S | S | * | * | trans | -152.5 | 97.7 | 167.6 | -133.5 | -61.9 | 0 | 0 | 0 | 110.1 | A14 | A14-D16 VanDerWaalsContact C-N 3.29Å; A14-D16 PolarHBondContact O-N 2.91Å | ||
| 17 | L | 55.6 | Low | 53.3 | Low | 152 Ų | 152 | 129 Ų | 129 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | -176.6 | 104.8 | 123 | -113.2 | 67.9 | 0 | 0 | 0 | 108.1 | R19 | L17-R19 PolarHBondContact O-N 3.23Š| |||
| 18 | P | 50.9 | Low | 54 | Low | 114 Ų | 114 | 128.3 Ų | 128.3 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | trans | -73.2 | 118.4 | 175.1 | 28.8 | -30.1 | 0 | 0 | 0 | 109.6 | ||||
| 19 | R | 56.8 | Low | 54.8 | Low | 230 Ų | 230 | 129.6 Ų | 129.6 | 87% | 0.868 | 76% | 0.756 | S | S | * | * | trans | 13.5 | 110.4 | 137.8 | -163.4 | 159.6 | -169.1 | 108.6 | -1.3 | 114.8 | L17 P21 | L17-R19 PolarHBondContact O-N 3.23Å; R19-P21 WeakPolarHBondContact O-CD 3.33Å | ||
| 20 | S | 52.3 | Low | 55.3 | Low | 120 Ų | 120 | 133.2 Ų | 133.2 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | -40.8 | 119.4 | 169.3 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 21 | P | 55.8 | Low | 56.5 | Low | 124 Ų | 124 | 136.4 Ų | 136.4 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | trans | -92.2 | 147.6 | 170.2 | 33.2 | -27.2 | 0 | 0 | 0 | 110.8 | R19 | R19-P21 WeakPolarHBondContact O-CD 3.33Š| ||
| 22 | A | 50.6 | Low | 57.1 | Low | 90 Ų | 90 | 135.1 Ų | 135.1 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | trans | -63.2 | 154.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 23 | S | 53 | Low | 57.7 | Low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | 59.7 | 133.9 | 147.8 | -57.2 | 0 | 0 | 0 | 0 | 120 | S25 | S23-S25 PolarHBondContact O-N 3.11Å; S23-S25 VanDerWaalsContact O-N 3.11Å | ||
| 24 | P | 62.8 | Low | 58.5 | Low | 137 Ų | 137 | 136 Ų | 136 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | trans | -79.3 | 100.8 | -179.3 | 33.6 | -30.8 | 0 | 0 | 0 | 110.1 | ||||
| 25 | S | 59.6 | Low | 59.1 | Low | 89 Ų | 89 | 137.9 Ų | 137.9 | 62% | 0.622 | 77% | 0.77 | S | S | * | * | trans | -146 | 90.3 | 152.7 | -170.3 | 0 | 0 | 0 | 0 | 108.4 | S23 | S23-S25 PolarHBondContact O-N 3.11Å; S23-S25 VanDerWaalsContact O-N 3.11Å | ||
| 26 | H | 60.5 | Low | 59.3 | Low | 149 Ų | 149 | 136.5 Ų | 136.5 | 69% | 0.69 | 76% | 0.762 | S | S | * | * | trans | -113.2 | 31.5 | 174.2 | -73.8 | 2.9 | 0 | 0 | 0 | 110.5 | T28 H29 | H26-T28 VanDerWaalsContact C-N 3.3Å; H26-T28 PolarHBondContact O-N 3.43Å; H26-H29 AromaticContact CE1-NE2 3.43Å; H26-H29 PolarHBondContact CE1-NE2 3.18Å; H26-H29 AromaticContact CG-CD2 3.56Å; H26-H29 AromaticContact CG-NE2 3.52Å; H26-H29 AromaticContact ND1-CD2 3.62Å; H26-H29 AromaticContact ND1-NE2 3.07Å; H26-H29 PolarHBondContact ND1-NE2 2.84Å | ||
| 27 | L | 62 | Low | 59.4 | Low | 162 Ų | 162 | 138.9 Ų | 138.9 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -81.5 | -5.8 | -178.9 | -131.9 | 86.5 | 0 | 0 | 0 | 113.8 | ||
| 28 | T | 66.4 | Low | 59.6 | Low | 105 Ų | 105 | 138.8 Ų | 138.8 | 64% | 0.644 | 77% | 0.77 | S | S | * | * | trans | -140.9 | 26.1 | -172.8 | 64.9 | 0 | 0 | 0 | 0 | 114 | H26 F30 | H26-T28 VanDerWaalsContact C-N 3.3Å; H26-T28 PolarHBondContact O-N 3.43Å; T28-F30 PolarHBondContact O-N 3.07Å | ||
| 29 | H | 63.6 | Low | 60.1 | Low | 136 Ų | 136 | 139.6 Ų | 139.6 | 63% | 0.63 | 76% | 0.764 | S | S | * | * | trans | -74.6 | 75.5 | 168.3 | -69.5 | -59.8 | 0 | 0 | 0 | 109.4 | H26 K31 | H26-H29 AromaticContact CE1-NE2 3.43Å; H26-H29 PolarHBondContact CE1-NE2 3.18Å; H26-H29 AromaticContact CG-CD2 3.56Å; H26-H29 AromaticContact CG-NE2 3.52Å; H26-H29 AromaticContact ND1-CD2 3.62Å; H26-H29 AromaticContact ND1-NE2 3.07Å; H26-H29 PolarHBondContact ND1-NE2 2.84Å; H29-K31 PolarHBondContact O-N 3.48Å | ||
| 30 | F | 66 | Low | 60.4 | Low | 187 Ų | 187 | 132.9 Ų | 132.9 | 82% | 0.82 | 75% | 0.75 | S | S | * | * | trans | -64.3 | 115.2 | 162.1 | -82.2 | -89.1 | 0 | 0 | 0 | 107.4 | T28 P32 | T28-F30 PolarHBondContact O-N 3.07Å; F30-P32 VanDerWaalsContact O-CD 3.29Å; F30-P32 WeakPolarHBondContact O-CD 3.29Å | ||
| 31 | K | 71 | Confident | 60.9 | Low | 186 Ų | 186 | 131.1 Ų | 131.1 | 81% | 0.809 | 74% | 0.735 | S | S | * | * | trans | -62.6 | 117.7 | 164.7 | -99.9 | 144.7 | 173 | 166.9 | 0 | 107.2 | H29 L33 | H29-K31 PolarHBondContact O-N 3.48Å; K31-L33 PolarHBondContact O-N 3.23Å | ||
| 32 | P | 61.9 | Low | 60.8 | Low | 122 Ų | 122 | 131.9 Ų | 131.9 | 79% | 0.792 | 73% | 0.726 | S | S | * | * | trans | -64.9 | 107.6 | 167.2 | 26.3 | -28.9 | 0 | 0 | 0 | 106.1 | F30 T34 | F30-P32 VanDerWaalsContact O-CD 3.29Å; F30-P32 WeakPolarHBondContact O-CD 3.29Å; P32-T34 PolarHBondContact O-N 2.96Å | ||
| 33 | L | 59.4 | Low | 61.2 | Low | 158 Ų | 158 | 135.7 Ų | 135.7 | 83% | 0.827 | 73% | 0.726 | S | S | * | * | trans | -60 | 124.2 | 169.1 | -67 | 170.9 | 0 | 0 | 0 | 106.4 | K31 | K31-L33 PolarHBondContact O-N 3.23Š| ||
| 34 | T | 64.4 | Low | 61.8 | Low | 109 Ų | 109 | 134 Ų | 134 | 67% | 0.669 | 71% | 0.714 | S | S | * | * | trans | -49.2 | 125 | 169.7 | -39.7 | 0 | 0 | 0 | 0 | 107.6 | P32 D36 | P32-T34 PolarHBondContact O-N 2.96Å; T34-D36 PolarHBondContact O-N 2.82Å | ||
| 35 | P | 60.5 | Low | 62.1 | Low | 129 Ų | 129 | 130.5 Ų | 130.5 | 84% | 0.838 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 3.4 | -174.7 | -23.9 | 33.5 | 0 | 0 | 0 | 115.8 | ||
| 36 | D | 58 | Low | 62.8 | Low | 137 Ų | 137 | 134.1 Ų | 134.1 | 73% | 0.733 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.2 | 23.3 | -158.9 | -143.2 | 38.3 | 0 | 0 | 0 | 114 | T34 | T34-D36 PolarHBondContact O-N 2.82Š|
| 37 | Q | 57.3 | Low | 63.4 | Low | 175 Ų | 175 | 129.5 Ų | 129.5 | 82% | 0.818 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -132.6 | 2.6 | 174.5 | -73.8 | -66.6 | -58.5 | 0 | 0 | 114.3 | ||
| 38 | D | 59.6 | Low | 64.1 | Low | 150 Ų | 150 | 124.9 Ų | 124.9 | 80% | 0.802 | 66% | 0.664 | S | S | * | * | trans | -112.2 | 14 | 179.5 | -152.2 | -110.1 | 0 | 0 | 0 | 113.1 | P40 | D38-P40 WeakPolarHBondContact O-CD 2.94Š| ||
| 39 | E | 60.9 | Low | 64.9 | Low | 132 Ų | 132 | 126.2 Ų | 126.2 | 62% | 0.617 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -77.6 | 100.7 | 161.7 | -162 | 173.8 | -106.9 | 0 | 0 | 106.2 | F42 | E39-F42 HydrophobicContact CG-CD2 3.68Å; E39-F42 HydrophobicContact CG-CE1 4.39Å; E39-F42 HydrophobicContact CG-CE2 3.38Å; E39-F42 HydrophobicContact CG-CG 4.39Å; E39-F42 HydrophobicContact CG-CZ 3.72Å; E39-F42 WeakPolarHBondContact OE1-CE2 2.87Å; E39-F42 WeakPolarHBondContact OE2-CD2 3.48Å; E39-F42 WeakPolarHBondContact OE2-CE2 3.39Å |
| 40 | P | 61.9 | Low | 65.7 | Low | 88 Ų | 88 | 122.9 Ų | 122.9 | 57% | 0.571 | 65% | 0.65 | S | S | * | * | trans | -53.3 | 133.3 | 175.1 | 25.1 | -33.2 | 0 | 0 | 0 | 105.3 | D38 F42 | D38-P40 WeakPolarHBondContact O-CD 2.94Å; P40-F42 PolarHBondContact O-N 3.22Å | ||
| 41 | P | 63.8 | Low | 66.4 | Low | 83 Ų | 83 | 117.5 Ų | 117.5 | 54% | 0.539 | 63% | 0.63 | S | S | . | * | trans | -51.5 | 111.8 | -170.7 | -17.2 | 22 | 0 | 0 | 0 | 105.9 | K43 S44 | P41-K43 HydrophobicContact CB-CB 4.45Å; P41-K43 CarbonylContact O-C 3.55Å; P41-K43 PolarHBondContact O-N 3.09Å; P41-S44 WeakPolarHBondContact CB-OG 3.48Å; P41-S44 WeakPolarHBondContact O-CB 3.46Å; P41-S44 PolarHBondContact O-N 3.01Å; P41-S44 PolarHBondContact O-OG 2.71Å | ||
| 42 | F | 54.3 | Low | 67.2 | Low | 141 Ų | 141 | 114.3 Ų | 114.3 | 62% | 0.618 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -58.3 | -13 | -177 | -79 | -54.5 | 0 | 0 | 0 | 111 | E39 P40 Y46 | E39-F42 HydrophobicContact CG-CD2 3.68Å; E39-F42 HydrophobicContact CG-CE1 4.39Å; E39-F42 HydrophobicContact CG-CE2 3.38Å; E39-F42 HydrophobicContact CG-CG 4.39Å; E39-F42 HydrophobicContact CG-CZ 3.72Å; E39-F42 WeakPolarHBondContact OE1-CE2 2.87Å; E39-F42 WeakPolarHBondContact OE2-CD2 3.48Å; E39-F42 WeakPolarHBondContact OE2-CE2 3.39Å; P40-F42 PolarHBondContact O-N 3.22Å; F42-Y46 WeakPolarHBondContact O-CB 3.45Å |
| 43 | K | 59 | Low | 68.1 | Low | 169 Ų | 169 | 116.6 Ų | 116.6 | 74% | 0.735 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67 | -29.1 | 168.8 | -56.8 | -176.7 | -173.2 | -79 | 0 | 114.3 | P41 S47 | P41-K43 HydrophobicContact CB-CB 4.45Å; P41-K43 CarbonylContact O-C 3.55Å; P41-K43 PolarHBondContact O-N 3.09Å; K43-S47 WeakPolarHBondContact O-CA 3.38Å; K43-S47 WeakPolarHBondContact O-CB 3.1Å; K43-S47 PolarHBondContact O-N 3.06Å; K43-S47 PolarHBondContact O-OG 3.17Å |
| 44 | S | 64.6 | Low | 68.8 | Low | 70 Ų | 70 | 116.9 Ų | 116.9 | 49% | 0.49 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -71.8 | -41.6 | -173.8 | -47.8 | 0 | 0 | 0 | 0 | 113.1 | P41 S47 S48 | P41-S44 WeakPolarHBondContact CB-OG 3.48Å; P41-S44 WeakPolarHBondContact O-CB 3.46Å; P41-S44 PolarHBondContact O-N 3.01Å; P41-S44 PolarHBondContact O-OG 2.71Å; S44-S47 PolarHBondContact O-OG 2.76Å; S44-S47 VanDerWaalsContact O-OG 3.14Å; S44-S48 PolarHBondContact O-N 3.15Å |
| 45 | A | 69.9 | Low | 68.9 | Low | 64 Ų | 64 | 119.4 Ų | 119.4 | 53% | 0.529 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -76.1 | -42.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | S48 F49 | A45-S48 VanDerWaalsContact O-CB 3.3Å; A45-S48 WeakPolarHBondContact O-CB 3.46Å; A45-S48 PolarHBondContact O-N 2.64Å; A45-F49 WeakPolarHBondContact O-CD2 3.05Å; A45-F49 PolarHBondContact O-N 2.82Å |
| 46 | Y | 73.4 | Confident | 69 | Low | 164 Ų | 164 | 119.2 Ų | 119.2 | 64% | 0.643 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.1 | -38.4 | -179.9 | -167.3 | -103.3 | 0 | 0 | 0 | 112.4 | F42 S48 F49 V50 | F42-Y46 WeakPolarHBondContact O-CB 3.45Å; Y46-S48 PolarHBondContact O-N 3.02Å; Y46-F49 PolarHBondContact O-N 2.71Å; Y46-V50 HydrophobicContact CD1-CG1 4.29Å; Y46-V50 HydrophobicContact CE1-CG1 3.87Å; Y46-V50 PolarHBondContact O-N 3.25Å |
| 47 | S | 73.6 | Confident | 69.1 | Low | 52 Ų | 52 | 121.7 Ų | 121.7 | 36% | 0.364 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.2 | -34.5 | 175 | 70.6 | 0 | 0 | 0 | 0 | 111.9 | K43 S44 V50 N51 | K43-S47 WeakPolarHBondContact O-CA 3.38Å; K43-S47 WeakPolarHBondContact O-CB 3.1Å; K43-S47 PolarHBondContact O-N 3.06Å; K43-S47 PolarHBondContact O-OG 3.17Å; S44-S47 PolarHBondContact O-OG 2.76Å; S44-S47 VanDerWaalsContact O-OG 3.14Å; S47-V50 WeakPolarHBondContact O-CG2 3.43Å; S47-N51 VanDerWaalsContact O-CB 3.28Å; S47-N51 WeakPolarHBondContact O-CB 3.39Å; S47-N51 PolarHBondContact O-N 2.96Å; S47-N51 VanDerWaalsContact O-N 3.08Å |
| 48 | S | 77.6 | Confident | 69.1 | Low | 66 Ų | 66 | 118.6 Ų | 118.6 | 46% | 0.462 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -59.3 | -53.9 | 174.6 | -170.9 | 0 | 0 | 0 | 0 | 110.3 | S44 A45 Y46 V50 N51 L52 | S44-S48 PolarHBondContact O-N 3.15Å; A45-S48 VanDerWaalsContact O-CB 3.3Å; A45-S48 WeakPolarHBondContact O-CB 3.46Å; A45-S48 PolarHBondContact O-N 2.64Å; Y46-S48 PolarHBondContact O-N 3.02Å; S48-V50 PolarHBondContact O-N 2.69Å; S48-N51 PolarHBondContact O-N 2.75Å; S48-L52 WeakPolarHBondContact O-CD1 3.3Å; S48-L52 PolarHBondContact O-N 2.78Å |
| 49 | F | 82.1 | Confident | 68.8 | Low | 133 Ų | 133 | 123.7 Ų | 123.7 | 58% | 0.583 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.1 | -38.7 | -177.8 | -67.4 | -67.4 | 0 | 0 | 0 | 114.1 | A45 Y46 L52 F53 | A45-F49 WeakPolarHBondContact O-CD2 3.05Å; A45-F49 PolarHBondContact O-N 2.82Å; Y46-F49 PolarHBondContact O-N 2.71Å; F49-L52 WeakPolarHBondContact O-CB 3.45Å; F49-L52 PolarHBondContact O-N 3.49Å; F49-F53 WeakPolarHBondContact O-CD2 3.28Å; F49-F53 VanDerWaalsContact O-CE2 3.27Å; F49-F53 WeakPolarHBondContact O-CE2 3.45Å |
| 50 | V | 79.4 | Confident | 68.4 | Low | 66 Ų | 66 | 119.8 Ų | 119.8 | 40% | 0.4 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -76.3 | -28.1 | 179.7 | -59.1 | 0 | 0 | 0 | 0 | 112.6 | Y46 S47 S48 L52 F53 R54 | Y46-V50 HydrophobicContact CD1-CG1 4.29Å; Y46-V50 HydrophobicContact CE1-CG1 3.87Å; Y46-V50 PolarHBondContact O-N 3.25Å; S47-V50 WeakPolarHBondContact O-CG2 3.43Å; S48-V50 PolarHBondContact O-N 2.69Å; V50-L52 VanDerWaalsContact C-N 3.27Å; V50-L52 PolarHBondContact O-N 3.37Å; V50-F53 PolarHBondContact O-N 2.79Å; V50-R54 PolarHBondContact O-N 3.09Å |
| 51 | N | 80.8 | Confident | 67.8 | Low | 74 Ų | 74 | 125 Ų | 125 | 40% | 0.396 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.9 | -25.2 | 174.7 | -79.7 | -4.4 | 0 | 0 | 0 | 112.7 | S47 S48 F53 R54 | S47-N51 VanDerWaalsContact O-CB 3.28Å; S47-N51 WeakPolarHBondContact O-CB 3.39Å; S47-N51 PolarHBondContact O-N 2.96Å; S47-N51 VanDerWaalsContact O-N 3.08Å; S48-N51 PolarHBondContact O-N 2.75Å; N51-F53 PolarHBondContact O-N 3.28Å; N51-R54 PolarHBondContact O-N 3.14Å; N51-R54 PolarHBondContact OD1-NH1 3.04Å |
| 52 | L | 88.4 | Confident | 66.9 | Low | 118 Ų | 118 | 124.9 Ų | 124.9 | 62% | 0.618 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -30.5 | 173.9 | -88 | 65.2 | 0 | 0 | 0 | 112 | S48 F49 V50 | S48-L52 WeakPolarHBondContact O-CD1 3.3Å; S48-L52 PolarHBondContact O-N 2.78Å; F49-L52 WeakPolarHBondContact O-CB 3.45Å; F49-L52 PolarHBondContact O-N 3.49Å; V50-L52 VanDerWaalsContact C-N 3.27Å; V50-L52 PolarHBondContact O-N 3.37Å |
| 53 | F | 81.3 | Confident | 66 | Low | 170 Ų | 170 | 121.9 Ų | 121.9 | 75% | 0.746 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -12 | -176.2 | -56 | -77.3 | 0 | 0 | 0 | 113.3 | F49 V50 N51 F55 | F49-F53 WeakPolarHBondContact O-CD2 3.28Å; F49-F53 VanDerWaalsContact O-CE2 3.27Å; F49-F53 WeakPolarHBondContact O-CE2 3.45Å; V50-F53 PolarHBondContact O-N 2.79Å; N51-F53 PolarHBondContact O-N 3.28Å; F53-F55 PolarHBondContact O-N 3.39Å |
| 54 | R | 74.4 | Confident | 65.4 | Low | 164 Ų | 164 | 123.4 Ų | 123.4 | 62% | 0.619 | 65% | 0.645 | S | S | * | * | trans | -81.7 | 62.7 | 168.5 | -163.7 | 179.1 | 72.1 | -125 | -2.1 | 109.1 | V50 N51 N56 | V50-R54 PolarHBondContact O-N 3.09Å; N51-R54 PolarHBondContact O-N 3.14Å; N51-R54 PolarHBondContact OD1-NH1 3.04Å; R54-N56 PolarHBondContact O-N 3.05Å | ||
| 55 | F | 65.5 | Low | 64.1 | Low | 163 Ų | 163 | 123.2 Ų | 123.2 | 72% | 0.715 | 65% | 0.654 | S | S | * | * | trans | -58.9 | 131.6 | 171.4 | 97.6 | -88.9 | 0 | 0 | 0 | 107.8 | F53 K57 | F53-F55 PolarHBondContact O-N 3.39Å; F55-K57 PolarHBondContact O-N 3.04Å | ||
| 56 | N | 63.3 | Low | 63 | Low | 124 Ų | 124 | 129.2 Ų | 129.2 | 66% | 0.663 | 67% | 0.671 | S | S | * | * | trans | -43.9 | 101.1 | -175.3 | -66.6 | -44.2 | 0 | 0 | 0 | 111.3 | R54 E58 | R54-N56 PolarHBondContact O-N 3.05Å; N56-E58 PolarHBondContact O-N 3.03Å | ||
| 57 | K | 59.6 | Low | 61.3 | Low | 189 Ų | 189 | 129.9 Ų | 129.9 | 82% | 0.822 | 68% | 0.68 | S | S | * | * | trans | -85.9 | 9.9 | 170.4 | -174.1 | 158.9 | 173.5 | -177.9 | 0 | 110.8 | F55 | F55-K57 PolarHBondContact O-N 3.04Š| ||
| 58 | E | 57.2 | Low | 59.9 | Low | 111 Ų | 111 | 136.9 Ų | 136.9 | 52% | 0.519 | 71% | 0.707 | S | S | . | * | trans | -133.3 | 70 | 177.8 | 62.1 | -71.8 | 165.8 | 0 | 0 | 110.2 | N56 G60 | N56-E58 PolarHBondContact O-N 3.03Å; E58-G60 PolarHBondContact O-N 2.93Å | ||
| 59 | R | 53.9 | Low | 57.9 | Low | 257 Ų | 257 | 138.7 Ų | 138.7 | 97% | 0.97 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -71.1 | 79.5 | 136.1 | -85.4 | -161.4 | -89.5 | -143.5 | -4.3 | 107 | ||
| 60 | G | 51.4 | Low | 56 | Low | 50 Ų | 50 | 137.4 Ų | 137.4 | 52% | 0.515 | 72% | 0.724 | S | S | . | * | S | Bend | trans | 161.3 | 90.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E58 | E58-G60 PolarHBondContact O-N 2.93Š|
| 61 | E | 49.3 | Very low | 54.4 | Low | 197 Ų | 197 | 139.4 Ų | 139.4 | 92% | 0.921 | 74% | 0.741 | S | S | * | * | trans | 71.9 | 120.7 | 145.9 | -150.8 | -173.5 | 150.8 | 0 | 0 | 119.7 | ||||
| 62 | G | 45.7 | Very low | 52.4 | Low | 81 Ų | 81 | 139.8 Ų | 139.8 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | trans | 68.2 | 97.9 | 135.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 63 | G | 36.1 | Very low | 50.5 | Low | 77 Ų | 77 | 138.9 Ų | 138.9 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | trans | -164.2 | 66.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G65 | G63-G65 PolarHBondContact O-N 2.96Å; G63-G65 VanDerWaalsContact O-N 3.11Å | ||
| 64 | Q | 46.2 | Very low | 48.4 | Very low | 201 Ų | 201 | 141.5 Ų | 141.5 | 94% | 0.939 | 76% | 0.759 | S | S | * | * | trans | -58.6 | 108.6 | 163.5 | -171.2 | -161.9 | -2.3 | 0 | 0 | 107.9 | ||||
| 65 | G | 37.3 | Very low | 46.8 | Very low | 66 Ų | 66 | 138 Ų | 138 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | trans | -145.4 | 106.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | G63 Q67 | G63-G65 PolarHBondContact O-N 2.96Å; G63-G65 VanDerWaalsContact O-N 3.11Å; G65-Q67 PolarHBondContact O-N 3.11Å | ||
| 66 | E | 46 | Very low | 45.8 | Very low | 190 Ų | 190 | 134.4 Ų | 134.4 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | trans | -47.8 | 105.9 | 179.1 | -68.6 | -174.8 | 109.9 | 0 | 0 | 111.3 | ||||
| 67 | Q | 37.7 | Very low | 44.9 | Very low | 179 Ų | 179 | 133.6 Ų | 133.6 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | trans | -133.1 | 117.1 | 141.5 | -79.8 | -144.3 | -8.9 | 0 | 0 | 108 | G65 S69 | G65-Q67 PolarHBondContact O-N 3.11Å; Q67-S69 PolarHBondContact O-N 2.85Å | ||
| 68 | Q | 43.8 | Very low | 44.3 | Very low | 199 Ų | 199 | 133.4 Ų | 133.4 | 93% | 0.93 | 76% | 0.763 | S | S | * | * | trans | -55.7 | 83.5 | 161 | -65.9 | 176 | -34.9 | 0 | 0 | 108.2 | P70 | Q68-P70 WeakPolarHBondContact O-CD 3.22Š| ||
| 69 | S | 37.4 | Very low | 44 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | -77.4 | 116.3 | 158.1 | -179.9 | 0 | 0 | 0 | 0 | 104.9 | Q67 S71 | Q67-S69 PolarHBondContact O-N 2.85Å; S69-S71 PolarHBondContact O-N 3.35Å | ||
| 70 | P | 41 | Very low | 43.5 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 69% | 0.688 | 76% | 0.762 | S | S | * | * | trans | -54.3 | 133.3 | 171.4 | 24.3 | -31.1 | 0 | 0 | 0 | 106.3 | Q68 S72 | Q68-P70 WeakPolarHBondContact O-CD 3.22Å; P70-S72 PolarHBondContact O-N 3.08Å | ||
| 71 | S | 46.4 | Very low | 43.3 | Very low | 108 Ų | 108 | 131 Ų | 131 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -53.7 | 76.2 | 162.3 | 169.6 | 0 | 0 | 0 | 0 | 108.6 | S69 S73 | S69-S71 PolarHBondContact O-N 3.35Å; S71-S73 PolarHBondContact O-N 3.24Å | ||
| 72 | S | 38.8 | Very low | 43 | Very low | 82 Ų | 82 | 132 Ų | 132 | 57% | 0.573 | 77% | 0.771 | S | S | * | * | trans | -75.6 | 83 | 154.9 | 176.7 | 0 | 0 | 0 | 0 | 103.9 | P70 W74 | P70-S72 PolarHBondContact O-N 3.08Å; S72-W74 PolarHBondContact O-N 3.25Å; S72-W74 PolarHBondContact OG-NE1 3.18Å | ||
| 73 | S | 47.8 | Very low | 42.9 | Very low | 100 Ų | 100 | 134.2 Ų | 134.2 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | trans | -53.3 | 84 | 150.7 | -71.2 | 0 | 0 | 0 | 0 | 107.1 | S71 A75 | S71-S73 PolarHBondContact O-N 3.24Å; S73-A75 PolarHBondContact O-N 2.68Å | ||
| 74 | W | 37.6 | Very low | 43.7 | Very low | 225 Ų | 225 | 139.6 Ų | 139.6 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | trans | -58.5 | 107.5 | 141.4 | -74.4 | 81.9 | 0 | 0 | 0 | 103.4 | S72 S76 | S72-W74 PolarHBondContact O-N 3.25Å; S72-W74 PolarHBondContact OG-NE1 3.18Å; W74-S76 PolarHBondContact O-N 2.8Å | ||
| 75 | A | 40.8 | Very low | 43.5 | Very low | 90 Ų | 90 | 134.5 Ų | 134.5 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | trans | -53.3 | 95 | 165.4 | 0 | 0 | 0 | 0 | 0 | 105.9 | S73 | S73-A75 PolarHBondContact O-N 2.68Š| ||
| 76 | S | 44.2 | Very low | 44.1 | Very low | 88 Ų | 88 | 138.2 Ų | 138.2 | 62% | 0.615 | 77% | 0.768 | S | S | * | * | trans | -46.4 | 128.8 | 158 | -174.7 | 0 | 0 | 0 | 0 | 104.8 | W74 Q78 | W74-S76 PolarHBondContact O-N 2.8Å; S76-Q78 PolarHBondContact O-N 2.95Å | ||
| 77 | P | 44 | Very low | 44.8 | Very low | 107 Ų | 107 | 140 Ų | 140 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | trans | -50.2 | 114.6 | 175.2 | 19.1 | -28.7 | 0 | 0 | 0 | 105.8 | I79 | P77-I79 PolarHBondContact O-N 3.35Š| ||
| 78 | Q | 47.3 | Very low | 45.3 | Very low | 184 Ų | 184 | 136.1 Ų | 136.1 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | trans | -61.7 | 90.7 | 177.2 | -72.7 | -102.3 | -42.2 | 0 | 0 | 104.9 | S76 P80 | S76-Q78 PolarHBondContact O-N 2.95Å; Q78-P80 WeakPolarHBondContact O-CD 2.96Å; Q78-P80 VanDerWaalsContact O-N 3.11Å | ||
| 79 | I | 51.4 | Low | 45.6 | Very low | 141 Ų | 141 | 132.8 Ų | 132.8 | 72% | 0.723 | 76% | 0.755 | S | S | * | * | trans | -57.6 | 115 | 163.7 | -52.9 | 176.3 | 0 | 0 | 0 | 102.3 | P77 S81 | P77-I79 PolarHBondContact O-N 3.35Å; I79-S81 PolarHBondContact O-N 3.23Å | ||
| 80 | P | 43.5 | Very low | 46.2 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -56.3 | 117.4 | 174.4 | 21.3 | -29.7 | 0 | 0 | 0 | 106.3 | Q78 R82 | Q78-P80 WeakPolarHBondContact O-CD 2.96Å; Q78-P80 VanDerWaalsContact O-N 3.11Å; P80-R82 VanDerWaalsContact C-N 3.32Å; P80-R82 PolarHBondContact O-N 2.92Å | ||
| 81 | S | 47.8 | Very low | 46.6 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | -47.5 | 100.3 | 174.2 | -38.5 | 0 | 0 | 0 | 0 | 106.8 | I79 T83 | I79-S81 PolarHBondContact O-N 3.23Å; S81-T83 PolarHBondContact O-N 3.48Å | ||
| 82 | R | 42.9 | Very low | 46.4 | Very low | 220 Ų | 220 | 138.8 Ų | 138.8 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | trans | -58.2 | 108.9 | -179.1 | -173.2 | 178.3 | -161.5 | -138.6 | 3.3 | 106.3 | P80 Q84 | P80-R82 VanDerWaalsContact C-N 3.32Å; P80-R82 PolarHBondContact O-N 2.92Å; R82-Q84 PolarHBondContact O-N 3Å; R82-Q84 VanDerWaalsContact O-N 3.17Å | ||
| 83 | T | 43.6 | Very low | 47 | Very low | 127 Ų | 127 | 143.9 Ų | 143.9 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -40 | 122.7 | 172.1 | 36.7 | 0 | 0 | 0 | 0 | 109.4 | S81 S85 | S81-T83 PolarHBondContact O-N 3.48Å; T83-S85 PolarHBondContact O-N 3.19Å | ||
| 84 | Q | 51.8 | Low | 47.5 | Very low | 190 Ų | 190 | 147.9 Ų | 147.9 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | trans | -22.2 | 99 | 170.5 | -59.2 | 168.8 | -9.3 | 0 | 0 | 112.2 | R82 | R82-Q84 PolarHBondContact O-N 3Å; R82-Q84 VanDerWaalsContact O-N 3.17Å | ||
| 85 | S | 42 | Very low | 47.8 | Very low | 93 Ų | 93 | 145.3 Ų | 145.3 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | trans | -98.4 | 107.3 | 163.9 | -171.5 | 0 | 0 | 0 | 0 | 107.1 | T83 R87 | T83-S85 PolarHBondContact O-N 3.19Å; S85-R87 VanDerWaalsContact C-N 3.27Å; S85-R87 PolarHBondContact O-N 3.45Å | ||
| 86 | V | 51.3 | Low | 48.5 | Very low | 145 Ų | 145 | 149.2 Ų | 149.2 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | -69.9 | 81.5 | 179 | -164 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 87 | R | 58.9 | Low | 48.7 | Very low | 228 Ų | 228 | 150.9 Ų | 150.9 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -152.9 | 111.9 | 161.9 | -153.8 | 138.5 | -175.3 | 162.4 | 0.6 | 110.3 | S85 | S85-R87 VanDerWaalsContact C-N 3.27Å; S85-R87 PolarHBondContact O-N 3.45Å | ||
| 88 | S | 48.9 | Very low | 49 | Very low | 97 Ų | 97 | 153.8 Ų | 153.8 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 142.3 | 179.8 | 63.3 | 0 | 0 | 0 | 0 | 111.9 | V90 | S88-V90 PolarHBondContact O-N 2.89Š|
| 89 | P | 50.6 | Low | 49 | Very low | 128 Ų | 128 | 153.9 Ų | 153.9 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 118.7 | 165.9 | -11.4 | 27.5 | 0 | 0 | 0 | 109.8 | ||
| 90 | V | 49.9 | Very low | 49.2 | Very low | 119 Ų | 119 | 155 Ų | 155 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 133.8 | 165.5 | 174.7 | 0 | 0 | 0 | 0 | 108.3 | S88 Y92 | S88-V90 PolarHBondContact O-N 2.89Å; V90-Y92 PolarHBondContact O-N 2.88Å |
| 91 | P | 50.1 | Low | 49.6 | Very low | 113 Ų | 113 | 157.6 Ų | 157.6 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -79.9 | 105.2 | 176 | 31 | -30 | 0 | 0 | 0 | 109.3 | K93 | P91-K93 PolarHBondContact O-N 3.3Š| ||
| 92 | Y | 41.2 | Very low | 49.9 | Very low | 212 Ų | 212 | 163.6 Ų | 163.6 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | trans | -83.2 | 113.8 | 169.1 | 81.1 | -86.9 | 0 | 0 | 0 | 109.4 | V90 | V90-Y92 PolarHBondContact O-N 2.88Š| ||
| 93 | K | 51.9 | Low | 49.9 | Very low | 188 Ų | 188 | 163.7 Ų | 163.7 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | trans | -90 | 148.7 | 164.7 | -67.7 | -78.5 | -172.5 | 178.3 | 0 | 107.8 | P91 | P91-K93 PolarHBondContact O-N 3.3Š| ||
| 94 | K | 57.1 | Low | 50.2 | Low | 184 Ų | 184 | 163.5 Ų | 163.5 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | trans | 81.5 | 137.1 | 177.6 | -54.1 | 174.2 | 173.3 | -174.9 | 0 | 112.4 | ||||
| 95 | Q | 45 | Very low | 49.9 | Very low | 172 Ų | 172 | 159.2 Ų | 159.2 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | cis | -157.2 | 117.4 | 32.2 | -142.4 | 159 | 12.5 | 0 | 0 | 108.5 | ||||
| 96 | L | 54.5 | Low | 49.9 | Very low | 171 Ų | 171 | 160.3 Ų | 160.3 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | trans | -74.1 | 140.8 | 157 | -151 | -169.4 | 0 | 0 | 0 | 105.3 | ||||
| 97 | N | 49.7 | Very low | 50.2 | Low | 124 Ų | 124 | 161.9 Ų | 161.9 | 66% | 0.663 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 83.2 | 109.1 | -177.3 | -149 | 16.8 | 0 | 0 | 0 | 110.8 | ||
| 98 | E | 50.6 | Low | 49.5 | Very low | 168 Ų | 168 | 157.7 Ų | 157.7 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | S | Bend | -161.1 | 25.1 | 66.6 | -65.6 | -167.8 | 96.1 | 0 | 0 | 113.5 | L100 | E98-L100 PolarHBondContact O-N 3.43Š| |
| 99 | E | 46.8 | Very low | 49.7 | Very low | 185 Ų | 185 | 157.7 Ų | 157.7 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 50.6 | -177.9 | -167.4 | 127 | -151.8 | 0 | 0 | 113.2 | ||
| 100 | L | 54 | Low | 49.7 | Very low | 166 Ų | 166 | 162.5 Ų | 162.5 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | 2.3 | 167.4 | -76.6 | 177 | 0 | 0 | 0 | 113.3 | E98 | E98-L100 PolarHBondContact O-N 3.43Š|
| 101 | H | 52.4 | Low | 49.7 | Very low | 165 Ų | 165 | 168.3 Ų | 168.3 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -113.4 | 14.2 | -163.5 | -83.1 | -100.8 | 0 | 0 | 0 | 117 | ||
| 102 | R | 54.8 | Low | 49.9 | Very low | 241 Ų | 241 | 172.7 Ų | 172.7 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -150.9 | 27.2 | 177.3 | -87 | -145 | -155.2 | -90.8 | 1.6 | 119.1 | ||
| 103 | R | 43.3 | Very low | 50.4 | Low | 222 Ų | 222 | 166.6 Ų | 166.6 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | trans | -137 | 59.6 | 169.2 | -59.7 | -172.5 | 78.1 | 163.6 | 1.5 | 113.3 | S105 | R103-S105 PolarHBondContact O-N 3.41Š| ||
| 104 | S | 49.6 | Very low | 50.5 | Low | 122 Ų | 122 | 164.3 Ų | 164.3 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -73.7 | 107.6 | 144.6 | 180 | 0 | 0 | 0 | 0 | 107 | ||||
| 105 | S | 45.9 | Very low | 50.6 | Low | 101 Ų | 101 | 160 Ų | 160 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -123.6 | 91.9 | 166 | 65.8 | 0 | 0 | 0 | 0 | 108.6 | R103 | R103-S105 PolarHBondContact O-N 3.41Š| ||
| 106 | V | 41.8 | Very low | 51 | Low | 116 Ų | 116 | 154.9 Ų | 154.9 | 70% | 0.703 | 78% | 0.779 | S | S | * | * | trans | 3.6 | 114.7 | 144.7 | -174.9 | 0 | 0 | 0 | 0 | 113.9 | D108 | V106-D108 PolarHBondContact O-N 2.85Å; V106-D108 VanDerWaalsContact O-N 3.12Å | ||
| 107 | L | 56.2 | Low | 51.2 | Low | 178 Ų | 178 | 151.7 Ų | 151.7 | 93% | 0.932 | 77% | 0.77 | S | S | * | * | trans | -53.1 | 110.8 | 153.4 | -96.5 | 101.2 | 0 | 0 | 0 | 107.8 | ||||
| 108 | D | 45.7 | Very low | 51.9 | Low | 139 Ų | 139 | 149.4 Ų | 149.4 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | trans | -127.7 | 140.5 | 157.5 | -141.8 | -55.8 | 0 | 0 | 0 | 110.8 | V106 | V106-D108 PolarHBondContact O-N 2.85Å; V106-D108 VanDerWaalsContact O-N 3.12Å | ||
| 109 | S | 51.9 | Low | 52.8 | Low | 98 Ų | 98 | 145 Ų | 145 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | trans | -66.3 | 170.6 | -167.3 | 61.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 110 | R | 51.1 | Low | 54.3 | Low | 229 Ų | 229 | 140.9 Ų | 140.9 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | 86.1 | 71.9 | 152.7 | -155 | -158.9 | -137.3 | -71.3 | -1.1 | 117.9 | ||||
| 111 | R | 50.5 | Low | 55.9 | Low | 240 Ų | 240 | 137.6 Ų | 137.6 | 91% | 0.906 | 74% | 0.74 | S | S | * | * | -136.6 | 122.1 | 119.6 | -70 | -171.2 | -70.9 | -177.6 | 0.1 | 107.6 | A113 | R111-A113 PolarHBondContact O-N 3.37Š| |||
| 112 | K | 54.3 | Low | 57.5 | Low | 205 Ų | 205 | 134.4 Ų | 134.4 | 89% | 0.891 | 73% | 0.734 | S | S | * | * | trans | -60 | 89.5 | 161 | -99.7 | -77.5 | 172.5 | -171.6 | 0 | 106 | E114 | K112-E114 PolarHBondContact O-N 3.02Š| ||
| 113 | A | 50.8 | Low | 58.8 | Low | 85 Ų | 85 | 132 Ų | 132 | 70% | 0.702 | 73% | 0.725 | S | S | * | * | trans | -66.6 | 91.2 | 153.6 | 0 | 0 | 0 | 0 | 0 | 103.9 | R111 P115 | R111-A113 PolarHBondContact O-N 3.37Å; A113-P115 WeakPolarHBondContact O-CD 3.23Å; A113-P115 VanDerWaalsContact O-N 3.16Å | ||
| 114 | E | 55.5 | Low | 60.7 | Low | 140 Ų | 140 | 124 Ų | 124 | 65% | 0.654 | 70% | 0.701 | S | S | * | * | trans | -46.3 | 119.4 | 153.9 | -174.4 | -92.2 | 139.7 | 0 | 0 | 104.9 | K112 A116 | K112-E114 PolarHBondContact O-N 3.02Å; E114-A116 PolarHBondContact O-N 3.36Å | ||
| 115 | P | 57.3 | Low | 62.2 | Low | 92 Ų | 92 | 119.1 Ų | 119.1 | 60% | 0.597 | 67% | 0.668 | S | S | * | * | trans | -66.9 | 97.1 | 179.6 | 26.5 | -29.3 | 0 | 0 | 0 | 104.5 | A113 C117 | A113-P115 WeakPolarHBondContact O-CD 3.23Å; A113-P115 VanDerWaalsContact O-N 3.16Å; P115-C117 PolarHBondContact O-N 3.09Å; P115-C117 PolarHBondContact O-SG 2.76Å | ||
| 116 | A | 55.3 | Low | 64.1 | Low | 65 Ų | 65 | 118.6 Ų | 118.6 | 54% | 0.537 | 66% | 0.66 | S | S | . | * | trans | -60.2 | 84.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | E114 G118 | E114-A116 PolarHBondContact O-N 3.36Å; A116-G118 PolarHBondContact O-N 3.01Å; A116-G118 VanDerWaalsContact O-N 3.07Å | ||
| 117 | C | 58.3 | Low | 66.3 | Low | 104 Ų | 104 | 118.3 Ų | 118.3 | 70% | 0.703 | 65% | 0.651 | S | S | * | * | trans | -76 | 13.1 | 179.9 | -67.1 | 0 | 0 | 0 | 0 | 110.6 | P115 | P115-C117 PolarHBondContact O-N 3.09Å; P115-C117 PolarHBondContact O-SG 2.76Å | ||
| 118 | G | 63.3 | Low | 68 | Low | 76 Ų | 76 | 113.4 Ų | 113.4 | 78% | 0.784 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -104.7 | 93.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | A116 | A116-G118 PolarHBondContact O-N 3.01Å; A116-G118 VanDerWaalsContact O-N 3.07Å |
| 119 | G | 69.7 | Low | 69.8 | Low | 77 Ų | 77 | 114.2 Ų | 114.2 | 79% | 0.794 | 62% | 0.618 | S | S | * | * | S | Bend | trans | 131.8 | 13.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 120 | H | 79.1 | Confident | 71.8 | Confident | 98 Ų | 98 | 112.8 Ų | 112.8 | 45% | 0.454 | 61% | 0.608 | S | S | . | * | trans | -86.3 | 137.8 | 174 | -69.4 | -51.1 | 0 | 0 | 0 | 111.8 | T124 | H120-T124 HydrophobicContact CB-CG2 4.36Š| ||
| 121 | D | 86.4 | Confident | 73.9 | Confident | 96 Ų | 96 | 106.4 Ų | 106.4 | 51% | 0.513 | 59% | 0.59 | S | S | . | * | trans | -52.5 | 140.6 | 165.4 | 179.2 | -59.1 | 0 | 0 | 0 | 110 | R123 T124 A125 | D121-R123 PolarHBondContact O-N 3.48Å; D121-R123 VanDerWaalsContact O-N 3.09Å; D121-R123 VanDerWaalsContact OD1-CB 3.23Å; D121-R123 WeakPolarHBondContact OD1-CB 3.42Å; D121-R123 PolarHBondContact OD1-N 2.88Å; D121-T124 WeakPolarHBondContact O-CA 3.48Å; D121-T124 WeakPolarHBondContact O-CB 3.44Å; D121-T124 PolarHBondContact O-N 3.23Å; D121-A125 PolarHBondContact O-N 3.42Å | ||
| 122 | P | 85.9 | Confident | 75.9 | Confident | 99 Ų | 99 | 98 Ų | 98 | 64% | 0.643 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -51.1 | -34.1 | -179.5 | 19.6 | -33.6 | 0 | 0 | 0 | 114.1 | A125 V126 | P122-A125 PolarHBondContact O-N 2.95Å; P122-V126 WeakPolarHBondContact O-CG2 3.4Å; P122-V126 PolarHBondContact O-N 3.05Å |
| 123 | R | 83.3 | Confident | 77.8 | Confident | 190 Ų | 190 | 91.8 Ų | 91.8 | 72% | 0.717 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.4 | -45 | 176.1 | -173.5 | 176.8 | -177.8 | 173.2 | 1.3 | 111.6 | D121 V126 Q127 | D121-R123 PolarHBondContact O-N 3.48Å; D121-R123 VanDerWaalsContact O-N 3.09Å; D121-R123 VanDerWaalsContact OD1-CB 3.23Å; D121-R123 WeakPolarHBondContact OD1-CB 3.42Å; D121-R123 PolarHBondContact OD1-N 2.88Å; R123-V126 PolarHBondContact O-N 2.9Å; R123-Q127 WeakPolarHBondContact O-CG 3.36Å; R123-Q127 PolarHBondContact O-N 3.29Å |
| 124 | T | 83.4 | Confident | 79.9 | Confident | 55 Ų | 55 | 92.1 Ų | 92.1 | 34% | 0.337 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.1 | -40.1 | 176.8 | -54.1 | 0 | 0 | 0 | 0 | 110.6 | H120 D121 V126 Q127 L128 | H120-T124 HydrophobicContact CB-CG2 4.36Å; D121-T124 WeakPolarHBondContact O-CA 3.48Å; D121-T124 WeakPolarHBondContact O-CB 3.44Å; D121-T124 PolarHBondContact O-N 3.23Å; T124-V126 PolarHBondContact O-N 3.4Å; T124-Q127 PolarHBondContact O-N 3.37Å; T124-L128 HydrophobicContact CG2-CD1 3.99Å; T124-L128 HydrophobicContact CG2-CG 4.31Å; T124-L128 WeakPolarHBondContact O-CB 3.48Å; T124-L128 VanDerWaalsContact O-CG 3.26Å; T124-L128 WeakPolarHBondContact O-CG 3.25Å; T124-L128 PolarHBondContact O-N 3.23Å |
| 125 | A | 80.6 | Confident | 81.9 | Confident | 19 Ų | 19 | 90 Ų | 90 | 16% | 0.157 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D121 P122 R129 | D121-A125 PolarHBondContact O-N 3.42Å; P122-A125 PolarHBondContact O-N 2.95Å; A125-R129 VanDerWaalsContact O-CG 3.25Å; A125-R129 WeakPolarHBondContact O-CG 3.26Å; A125-R129 PolarHBondContact O-N 3.25Å; A125-R129 PolarHBondContact O-NH1 3.23Å |
| 126 | V | 85.4 | Confident | 83.7 | Confident | 90 Ų | 90 | 92.2 Ų | 92.2 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.7 | -45.2 | 175.4 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | P122 R123 T124 L128 R129 S130 | P122-V126 WeakPolarHBondContact O-CG2 3.4Å; P122-V126 PolarHBondContact O-N 3.05Å; R123-V126 PolarHBondContact O-N 2.9Å; T124-V126 PolarHBondContact O-N 3.4Å; V126-L128 VanDerWaalsContact C-N 3.34Å; V126-L128 PolarHBondContact O-N 2.94Å; V126-R129 WeakPolarHBondContact O-CB 3.44Å; V126-R129 PolarHBondContact O-N 3.36Å; V126-S130 PolarHBondContact O-N 3.48Å |
| 127 | Q | 89.4 | Confident | 85.6 | Confident | 109 Ų | 109 | 94 Ų | 94 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 178.1 | -70.6 | 176.3 | -19.9 | 0 | 0 | 112.4 | R123 T124 R129 S130 L131 | R123-Q127 WeakPolarHBondContact O-CG 3.36Å; R123-Q127 PolarHBondContact O-N 3.29Å; T124-Q127 PolarHBondContact O-N 3.37Å; Q127-R129 VanDerWaalsContact C-N 3.35Å; Q127-S130 WeakPolarHBondContact CA-OG 3.35Å; Q127-S130 PolarHBondContact O-N 2.88Å; Q127-S130 PolarHBondContact O-OG 2.88Å; Q127-L131 VanDerWaalsContact O-CB 3.25Å; Q127-L131 WeakPolarHBondContact O-CB 3.15Å; Q127-L131 PolarHBondContact O-N 2.81Å |
| 128 | L | 90 | Very high | 87.4 | Confident | 76 Ų | 76 | 93.1 Ų | 93.1 | 40% | 0.398 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.6 | -37.4 | 175 | -70.8 | 174.2 | 0 | 0 | 0 | 111.7 | T124 V126 S132 | T124-L128 HydrophobicContact CG2-CD1 3.99Å; T124-L128 HydrophobicContact CG2-CG 4.31Å; T124-L128 WeakPolarHBondContact O-CB 3.48Å; T124-L128 VanDerWaalsContact O-CG 3.26Å; T124-L128 WeakPolarHBondContact O-CG 3.25Å; T124-L128 PolarHBondContact O-N 3.23Å; V126-L128 VanDerWaalsContact C-N 3.34Å; V126-L128 PolarHBondContact O-N 2.94Å; L128-S132 VanDerWaalsContact O-CB 3.23Å; L128-S132 WeakPolarHBondContact O-CB 3.25Å; L128-S132 PolarHBondContact O-N 3.47Å; L128-S132 PolarHBondContact O-OG 3.22Å |
| 129 | R | 84.9 | Confident | 88.9 | Confident | 156 Ų | 156 | 96 Ų | 96 | 59% | 0.589 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.2 | -42.4 | 172.5 | -71.8 | 178.4 | -161 | 108.2 | -3.8 | 112.3 | A125 V126 Q127 S132 T133 | A125-R129 VanDerWaalsContact O-CG 3.25Å; A125-R129 WeakPolarHBondContact O-CG 3.26Å; A125-R129 PolarHBondContact O-N 3.25Å; A125-R129 PolarHBondContact O-NH1 3.23Å; V126-R129 WeakPolarHBondContact O-CB 3.44Å; V126-R129 PolarHBondContact O-N 3.36Å; Q127-R129 VanDerWaalsContact C-N 3.35Å; R129-S132 WeakPolarHBondContact CA-OG 3.4Å; R129-S132 PolarHBondContact O-OG 2.87Å; R129-T133 WeakPolarHBondContact O-CB 3.48Å; R129-T133 PolarHBondContact O-N 3.07Å; R129-T133 VanDerWaalsContact O-N 3.09Å; R129-T133 PolarHBondContact O-OG1 2.74Å |
| 130 | S | 92.6 | Very high | 90.1 | Very high | 68 Ų | 68 | 94.3 Ų | 94.3 | 48% | 0.476 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.8 | -46.1 | 176.6 | 63.4 | 0 | 0 | 0 | 0 | 111.1 | V126 Q127 T133 V134 | V126-S130 PolarHBondContact O-N 3.48Å; Q127-S130 WeakPolarHBondContact CA-OG 3.35Å; Q127-S130 PolarHBondContact O-N 2.88Å; Q127-S130 PolarHBondContact O-OG 2.88Å; S130-T133 PolarHBondContact O-N 3.42Å; S130-V134 WeakPolarHBondContact O-CG2 3.27Å; S130-V134 PolarHBondContact O-N 3.27Å |
| 131 | L | 95.6 | Very high | 90.8 | Very high | 94 Ų | 94 | 94.3 Ų | 94.3 | 49% | 0.492 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63 | -48.6 | 179.3 | -179.6 | 62.8 | 0 | 0 | 0 | 111.8 | Q127 T133 V134 L135 | Q127-L131 VanDerWaalsContact O-CB 3.25Å; Q127-L131 WeakPolarHBondContact O-CB 3.15Å; Q127-L131 PolarHBondContact O-N 2.81Å; L131-T133 VanDerWaalsContact C-N 3.28Å; L131-T133 PolarHBondContact O-N 3.28Å; L131-V134 PolarHBondContact O-N 2.93Å; L131-L135 HydrophobicContact CD1-CD1 4.24Å; L131-L135 HydrophobicContact CD1-CG 4.31Å; L131-L135 HydrophobicContact CG-CD1 4.07Å; L131-L135 WeakPolarHBondContact O-CG 3.34Å; L131-L135 PolarHBondContact O-N 3.49Å |
| 132 | S | 93.4 | Very high | 91.2 | Very high | 65 Ų | 65 | 97 Ų | 97 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.8 | -37.4 | 178.2 | 55.4 | 0 | 0 | 0 | 0 | 112.4 | L128 R129 K136 | L128-S132 VanDerWaalsContact O-CB 3.23Å; L128-S132 WeakPolarHBondContact O-CB 3.25Å; L128-S132 PolarHBondContact O-N 3.47Å; L128-S132 PolarHBondContact O-OG 3.22Å; R129-S132 WeakPolarHBondContact CA-OG 3.4Å; R129-S132 PolarHBondContact O-OG 2.87Å; S132-K136 VanDerWaalsContact O-CB 3.28Å; S132-K136 WeakPolarHBondContact O-CB 3.23Å; S132-K136 PolarHBondContact O-N 2.64Å |
| 133 | T | 93.6 | Very high | 91.5 | Very high | 73 Ų | 73 | 96.8 Ų | 96.8 | 45% | 0.448 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.4 | -44.6 | 176.1 | -59 | 0 | 0 | 0 | 0 | 111.8 | R129 S130 L131 K136 R137 | R129-T133 WeakPolarHBondContact O-CB 3.48Å; R129-T133 PolarHBondContact O-N 3.07Å; R129-T133 VanDerWaalsContact O-N 3.09Å; R129-T133 PolarHBondContact O-OG1 2.74Å; S130-T133 PolarHBondContact O-N 3.42Å; L131-T133 VanDerWaalsContact C-N 3.28Å; L131-T133 PolarHBondContact O-N 3.28Å; T133-K136 WeakPolarHBondContact O-CB 3.33Å; T133-K136 PolarHBondContact O-N 2.76Å; T133-R137 PolarHBondContact O-N 2.9Å |
| 134 | V | 95.6 | Very high | 91.8 | Very high | 93 Ų | 93 | 90.8 Ų | 90.8 | 56% | 0.564 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.7 | -47.2 | 176.2 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | S130 L131 K136 R137 L138 | S130-V134 WeakPolarHBondContact O-CG2 3.27Å; S130-V134 PolarHBondContact O-N 3.27Å; L131-V134 PolarHBondContact O-N 2.93Å; V134-K136 VanDerWaalsContact C-N 3.31Å; V134-K136 PolarHBondContact O-N 2.98Å; V134-R137 PolarHBondContact O-N 3.29Å; V134-L138 WeakPolarHBondContact O-CB 3.49Å; V134-L138 PolarHBondContact O-N 3.38Å |
| 135 | L | 97 | Very high | 91.7 | Very high | 96 Ų | 96 | 94.2 Ų | 94.2 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 177.5 | -68.7 | 174.6 | 0 | 0 | 0 | 111.9 | L131 L138 K139 | L131-L135 HydrophobicContact CD1-CD1 4.24Å; L131-L135 HydrophobicContact CD1-CG 4.31Å; L131-L135 HydrophobicContact CG-CD1 4.07Å; L131-L135 WeakPolarHBondContact O-CG 3.34Å; L131-L135 PolarHBondContact O-N 3.49Å; L135-L138 PolarHBondContact O-N 3.17Å; L135-K139 WeakPolarHBondContact O-CB 3.28Å; L135-K139 PolarHBondContact O-N 3.14Å |
| 136 | K | 94.8 | Very high | 91.1 | Very high | 137 Ų | 137 | 96.4 Ų | 96.4 | 60% | 0.596 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.8 | -46.8 | 175.2 | -172.1 | -175.3 | 69.7 | 164.2 | 0 | 111.4 | S132 T133 V134 K139 E140 | S132-K136 VanDerWaalsContact O-CB 3.28Å; S132-K136 WeakPolarHBondContact O-CB 3.23Å; S132-K136 PolarHBondContact O-N 2.64Å; T133-K136 WeakPolarHBondContact O-CB 3.33Å; T133-K136 PolarHBondContact O-N 2.76Å; V134-K136 VanDerWaalsContact C-N 3.31Å; V134-K136 PolarHBondContact O-N 2.98Å; K136-K139 WeakPolarHBondContact O-CB 3.4Å; K136-K139 PolarHBondContact O-N 2.98Å; K136-E140 WeakPolarHBondContact O-CB 3.24Å; K136-E140 PolarHBondContact O-N 3.43Å |
| 137 | R | 94.8 | Very high | 90.2 | Very high | 103 Ų | 103 | 98.3 Ų | 98.3 | 39% | 0.389 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.5 | -40.9 | 178 | -75.4 | -73.9 | -96.9 | -177.5 | -10.6 | 112.1 | T133 V134 K139 E140 I141 Q147 | T133-R137 PolarHBondContact O-N 2.9Å; V134-R137 PolarHBondContact O-N 3.29Å; R137-K139 VanDerWaalsContact C-N 3.32Å; R137-K139 PolarHBondContact O-N 2.84Å; R137-E140 IonicContact NH1-OE1 2.95Å; R137-E140 PolarHBondContact NH1-OE1 3.33Å; R137-E140 IonicContact NH1-OE2 3.9Å; R137-E140 WeakPolarHBondContact O-CB 3.45Å; R137-E140 PolarHBondContact O-N 3.46Å; R137-I141 WeakPolarHBondContact O-CD1 3.45Å; R137-I141 VanDerWaalsContact O-CG1 3.24Å; R137-I141 WeakPolarHBondContact O-CG1 3.24Å; R137-I141 PolarHBondContact O-N 2.83Å; R137-Q147 VanDerWaalsContact NH1-OE1 3.09Å |
| 138 | L | 96.7 | Very high | 88.8 | Confident | 86 Ų | 86 | 101.2 Ų | 101.2 | 45% | 0.45 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 175 | -179.1 | 62.3 | 0 | 0 | 0 | 110.7 | V134 L135 E140 I141 M142 | V134-L138 WeakPolarHBondContact O-CB 3.49Å; V134-L138 PolarHBondContact O-N 3.38Å; L135-L138 PolarHBondContact O-N 3.17Å; L138-E140 VanDerWaalsContact C-N 3.35Å; L138-E140 PolarHBondContact O-N 2.99Å; L138-I141 PolarHBondContact O-N 3.4Å; L138-M142 HydrophobicContact CD1-CG 4.2Å; L138-M142 HydrophobicContact CD1-SD 4.2Å; L138-M142 HydrophobicContact CG-CG 4.38Å; L138-M142 HydrophobicContact CG-SD 3.97Å; L138-M142 WeakPolarHBondContact O-CB 3.49Å; L138-M142 VanDerWaalsContact O-CG 3.24Å; L138-M142 WeakPolarHBondContact O-CG 3.5Å; L138-M142 PolarHBondContact O-N 2.79Å |
| 139 | K | 94.9 | Very high | 87.1 | Confident | 137 Ų | 137 | 103.6 Ų | 103.6 | 60% | 0.596 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -57.1 | -49.6 | 173.9 | -177.7 | -174.1 | 173.5 | -172.5 | 0 | 110.9 | L135 K136 R137 I141 M142 E143 | L135-K139 WeakPolarHBondContact O-CB 3.28Å; L135-K139 PolarHBondContact O-N 3.14Å; K136-K139 WeakPolarHBondContact O-CB 3.4Å; K136-K139 PolarHBondContact O-N 2.98Å; R137-K139 VanDerWaalsContact C-N 3.32Å; R137-K139 PolarHBondContact O-N 2.84Å; K139-I141 VanDerWaalsContact C-N 3.31Å; K139-I141 PolarHBondContact O-N 3.47Å; K139-M142 PolarHBondContact O-N 2.97Å; K139-E143 WeakPolarHBondContact CE-OE2 3.36Å; K139-E143 WeakPolarHBondContact O-CB 3.22Å; K139-E143 PolarHBondContact O-N 2.9Å |
| 140 | E | 94.6 | Very high | 85.3 | Confident | 41 Ų | 41 | 99.8 Ų | 99.8 | 19% | 0.192 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -56.3 | -43.6 | 178.3 | -178.9 | -171 | 132.7 | 0 | 0 | 112.1 | K136 R137 L138 E143 G144 K145 | K136-E140 WeakPolarHBondContact O-CB 3.24Å; K136-E140 PolarHBondContact O-N 3.43Å; R137-E140 IonicContact NH1-OE1 2.95Å; R137-E140 PolarHBondContact NH1-OE1 3.33Å; R137-E140 IonicContact NH1-OE2 3.9Å; R137-E140 WeakPolarHBondContact O-CB 3.45Å; R137-E140 PolarHBondContact O-N 3.46Å; L138-E140 VanDerWaalsContact C-N 3.35Å; L138-E140 PolarHBondContact O-N 2.99Å; E140-E143 CarbonylContact O-C 3.51Å; E140-E143 PolarHBondContact O-N 3.28Å; E140-G144 PolarHBondContact O-N 2.95Å; E140-G144 VanDerWaalsContact O-N 3.09Å; E140-K145 HydrophobicContact CG-CB 3.88Å; E140-K145 WeakPolarHBondContact CG-O 3.47Å; E140-K145 PolarHBondContact O-N 2.85Å |
| 141 | I | 93.9 | Very high | 83.3 | Confident | 97 Ų | 97 | 105.3 Ų | 105.3 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.9 | -47.5 | 177.9 | -66.8 | 160.7 | 0 | 0 | 0 | 111.2 | R137 L138 K139 E143 G144 S146 | R137-I141 WeakPolarHBondContact O-CD1 3.45Å; R137-I141 VanDerWaalsContact O-CG1 3.24Å; R137-I141 WeakPolarHBondContact O-CG1 3.24Å; R137-I141 PolarHBondContact O-N 2.83Å; L138-I141 PolarHBondContact O-N 3.4Å; K139-I141 VanDerWaalsContact C-N 3.31Å; K139-I141 PolarHBondContact O-N 3.47Å; I141-E143 PolarHBondContact O-N 2.87Å; I141-G144 PolarHBondContact O-N 3.29Å; I141-S146 WeakPolarHBondContact CG1-OG 3.37Å |
| 142 | M | 93.8 | Very high | 81 | Confident | 154 Ų | 154 | 108.7 Ų | 108.7 | 76% | 0.759 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.9 | -28.5 | 177.7 | -71 | -178.8 | 69.9 | 0 | 0 | 112 | L138 K139 G144 | L138-M142 HydrophobicContact CD1-CG 4.2Å; L138-M142 HydrophobicContact CD1-SD 4.2Å; L138-M142 HydrophobicContact CG-CG 4.38Å; L138-M142 HydrophobicContact CG-SD 3.97Å; L138-M142 WeakPolarHBondContact O-CB 3.49Å; L138-M142 VanDerWaalsContact O-CG 3.24Å; L138-M142 WeakPolarHBondContact O-CG 3.5Å; L138-M142 PolarHBondContact O-N 2.79Å; K139-M142 PolarHBondContact O-N 2.97Å; M142-G144 VanDerWaalsContact C-N 3.31Å |
| 143 | E | 93.5 | Very high | 79.1 | Confident | 93 Ų | 93 | 108.9 Ų | 108.9 | 44% | 0.435 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.1 | -2.6 | 176.3 | -159.8 | 173.3 | 166.3 | 0 | 0 | 112.5 | K139 E140 I141 K145 | K139-E143 WeakPolarHBondContact CE-OE2 3.36Å; K139-E143 WeakPolarHBondContact O-CB 3.22Å; K139-E143 PolarHBondContact O-N 2.9Å; E140-E143 CarbonylContact O-C 3.51Å; E140-E143 PolarHBondContact O-N 3.28Å; I141-E143 PolarHBondContact O-N 2.87Å; E143-K145 VanDerWaalsContact C-N 3.29Å; E143-K145 HydrophobicContact CB-CD 4.23Å; E143-K145 HydrophobicContact CB-CG 4.23Å; E143-K145 VanDerWaalsContact CD-CE 3.43Å; E143-K145 HydrophobicContact CG-CD 3.78Å; E143-K145 HydrophobicContact CG-CG 4.1Å; E143-K145 PolarHBondContact O-N 3.09Å; E143-K145 WeakPolarHBondContact OE1-CE 3.4Å; E143-K145 IonicContact OE1-NZ 2.58Å; E143-K145 PolarHBondContact OE1-NZ 3.34Å |
| 144 | G | 89.3 | Confident | 77.2 | Confident | 65 Ų | 65 | 110.6 Ų | 110.6 | 67% | 0.67 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.2 | 18.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | E140 I141 M142 | E140-G144 PolarHBondContact O-N 2.95Å; E140-G144 VanDerWaalsContact O-N 3.09Å; I141-G144 PolarHBondContact O-N 3.29Å; M142-G144 VanDerWaalsContact C-N 3.31Å |
| 145 | K | 80.8 | Confident | 74.9 | Confident | 126 Ų | 126 | 112 Ų | 112 | 55% | 0.548 | 59% | 0.593 | S | S | . | * | trans | -100.1 | 21.4 | -175.1 | -61.8 | -179.5 | 169.3 | -177 | 0 | 113.2 | E140 E143 Q147 | E140-K145 HydrophobicContact CG-CB 3.88Å; E140-K145 WeakPolarHBondContact CG-O 3.47Å; E140-K145 PolarHBondContact O-N 2.85Å; E143-K145 VanDerWaalsContact C-N 3.29Å; E143-K145 HydrophobicContact CB-CD 4.23Å; E143-K145 HydrophobicContact CB-CG 4.23Å; E143-K145 VanDerWaalsContact CD-CE 3.43Å; E143-K145 HydrophobicContact CG-CD 3.78Å; E143-K145 HydrophobicContact CG-CG 4.1Å; E143-K145 PolarHBondContact O-N 3.09Å; E143-K145 WeakPolarHBondContact OE1-CE 3.4Å; E143-K145 IonicContact OE1-NZ 2.58Å; E143-K145 PolarHBondContact OE1-NZ 3.34Å; K145-Q147 PolarHBondContact O-N 3.03Å | ||
| 146 | S | 68.8 | Low | 73.1 | Confident | 65 Ų | 65 | 113.8 Ų | 113.8 | 46% | 0.455 | 61% | 0.607 | S | S | . | * | trans | -63.2 | 108.5 | -179.8 | -56.6 | 0 | 0 | 0 | 0 | 109.2 | I141 E148 | I141-S146 WeakPolarHBondContact CG1-OG 3.37Å; S146-E148 PolarHBondContact O-N 2.58Å | ||
| 147 | Q | 66.1 | Low | 71.3 | Confident | 131 Ų | 131 | 115.9 Ų | 115.9 | 61% | 0.612 | 62% | 0.619 | S | S | * | * | trans | 7.9 | 103.8 | 179.9 | -79.9 | 172.2 | -75.9 | 0 | 0 | 117 | R137 K145 T149 | R137-Q147 VanDerWaalsContact NH1-OE1 3.09Å; K145-Q147 PolarHBondContact O-N 3.03Å; Q147-T149 PolarHBondContact O-N 2.78Å | ||
| 148 | E | 61 | Low | 69.4 | Low | 169 Ų | 169 | 124.1 Ų | 124.1 | 79% | 0.79 | 66% | 0.658 | S | S | * | * | trans | -55.9 | 99.7 | 148 | -170.3 | -170.9 | 141.9 | 0 | 0 | 108.3 | S146 S150 | S146-E148 PolarHBondContact O-N 2.58Å; E148-S150 PolarHBondContact O-N 2.89Å; E148-S150 WeakPolarHBondContact OE1-CB 3.14Å | ||
| 149 | T | 54.3 | Low | 68 | Low | 126 Ų | 126 | 126.1 Ų | 126.1 | 77% | 0.773 | 67% | 0.668 | S | S | * | * | trans | -73.4 | 77.3 | 161 | 53.2 | 0 | 0 | 0 | 0 | 107.1 | Q147 E151 | Q147-T149 PolarHBondContact O-N 2.78Å; T149-E151 VanDerWaalsContact C-N 3.32Å; T149-E151 PolarHBondContact O-N 3.12Å | ||
| 150 | S | 45.8 | Very low | 66.6 | Low | 76 Ų | 76 | 125.5 Ų | 125.5 | 53% | 0.531 | 67% | 0.672 | S | S | . | * | trans | -73.3 | 92.3 | 170.3 | -165.9 | 0 | 0 | 0 | 0 | 107.8 | E148 H152 | E148-S150 PolarHBondContact O-N 2.89Å; E148-S150 WeakPolarHBondContact OE1-CB 3.14Å; S150-H152 PolarHBondContact O-N 3.34Å | ||
| 151 | E | 50 | Low | 65 | Low | 184 Ų | 184 | 130.2 Ų | 130.2 | 86% | 0.86 | 70% | 0.699 | S | S | * | * | trans | -61.6 | 87.7 | 158.5 | -71.1 | -115.2 | 134.5 | 0 | 0 | 107.8 | T149 A153 | T149-E151 VanDerWaalsContact C-N 3.32Å; T149-E151 PolarHBondContact O-N 3.12Å; E151-A153 PolarHBondContact O-N 3.24Å | ||
| 152 | H | 47.6 | Very low | 63.3 | Low | 165 Ų | 165 | 132.1 Ų | 132.1 | 76% | 0.764 | 71% | 0.711 | S | S | * | * | trans | -80.1 | 81.5 | 166.2 | -152.9 | -40.3 | 0 | 0 | 0 | 107.9 | S150 P154 | S150-H152 PolarHBondContact O-N 3.34Å; H152-P154 WeakPolarHBondContact O-CD 3.01Å | ||
| 153 | A | 53.2 | Low | 61.4 | Low | 69 Ų | 69 | 130.8 Ų | 130.8 | 57% | 0.57 | 71% | 0.708 | S | S | * | * | trans | -65.6 | 125.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | E151 T155 | E151-A153 PolarHBondContact O-N 3.24Å; A153-T155 PolarHBondContact O-N 3.44Å | ||
| 154 | P | 54 | Low | 59.3 | Low | 109 Ų | 109 | 133.3 Ų | 133.3 | 71% | 0.708 | 73% | 0.726 | S | S | * | * | trans | -75.7 | 107.2 | 164 | 28.7 | -29.2 | 0 | 0 | 0 | 108.1 | H152 V156 | H152-P154 WeakPolarHBondContact O-CD 3.01Å; P154-V156 PolarHBondContact O-N 3.48Å; P154-V156 VanDerWaalsContact O-N 3.09Å | ||
| 155 | T | 48.3 | Very low | 57.1 | Low | 122 Ų | 122 | 138.1 Ų | 138.1 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | trans | -62.1 | 108.1 | 164.1 | -53.9 | 0 | 0 | 0 | 0 | 107.9 | A153 E157 | A153-T155 PolarHBondContact O-N 3.44Å; T155-E157 HydrophobicContact CG2-CG 4.13Å; T155-E157 PolarHBondContact O-N 3.39Å | ||
| 156 | V | 59.6 | Low | 55.3 | Low | 134 Ų | 134 | 139.1 Ų | 139.1 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | trans | -79.6 | 93.7 | 167.2 | -166.4 | 0 | 0 | 0 | 0 | 106.1 | P154 | P154-V156 PolarHBondContact O-N 3.48Å; P154-V156 VanDerWaalsContact O-N 3.09Å | ||
| 157 | E | 57 | Low | 54.2 | Low | 182 Ų | 182 | 145.3 Ų | 145.3 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | -71.5 | 146.1 | 165 | -80.1 | -147.7 | 128 | 0 | 0 | 110.2 | T155 | T155-E157 HydrophobicContact CG2-CG 4.13Å; T155-E157 PolarHBondContact O-N 3.39Å | ||
| 158 | K | 53.2 | Low | 53.1 | Low | 276 Ų | 276 | 146.5 Ų | 146.5 | 100% | 1.2 | 78% | 0.782 | S | S | * | * | trans | -118.8 | 0 | -166.6 | -166.1 | -177.1 | -174.4 | -178.2 | 0 | 109.7 |
Retrieved 158 of 158 residues in 591.7 ms
(Link to these results)