| 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 | 50.5 | Low | 58.9 | Low | 244 Ų | 244 | 151.3 Ų | 151.3 | 100% | 1.202 | 83% | 0.826 | S | S | * | * | 0 | 115.6 | 0 | -61.9 | 177.1 | 170.8 | 0 | 0 | 107.3 | Q3 | M1-Q3 PolarHBondContact O-N 3.38Š| |||
| 2 | K | 59.3 | Low | 59.8 | Low | 216 Ų | 216 | 149.3 Ų | 149.3 | 94% | 0.939 | 82% | 0.822 | S | S | * | * | trans | -72.1 | 118.4 | -175.7 | -80 | -174.5 | 173.6 | -179.4 | 0 | 109.6 | G4 | K2-G4 PolarHBondContact O-N 3.3Š| ||
| 3 | Q | 52.2 | Low | 60 | Low | 190 Ų | 190 | 149.3 Ų | 149.3 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | trans | -70.1 | 107.4 | 167.9 | -74.2 | 177 | -0.1 | 0 | 0 | 108.1 | M1 Q5 | M1-Q3 PolarHBondContact O-N 3.38Å; Q3-Q5 PolarHBondContact O-N 3.21Å | ||
| 4 | G | 64.2 | Low | 60.6 | Low | 71 Ų | 71 | 154.6 Ų | 154.6 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | trans | -69.5 | 113.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | K2 | K2-G4 PolarHBondContact O-N 3.3Š| ||
| 5 | Q | 59 | Low | 60.8 | Low | 192 Ų | 192 | 157.3 Ų | 157.3 | 90% | 0.897 | 82% | 0.822 | S | S | * | * | trans | -77.7 | 112.1 | 158.5 | -68.3 | 178 | 14.4 | 0 | 0 | 107.3 | Q3 | Q3-Q5 PolarHBondContact O-N 3.21Š| ||
| 6 | T | 61.1 | Low | 61.1 | Low | 128 Ų | 128 | 155.3 Ų | 155.3 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -118.4 | 117.6 | 161.9 | -24.3 | 0 | 0 | 0 | 0 | 108.4 | D8 | T6-D8 PolarHBondContact O-N 2.99Š| ||
| 7 | K | 59.5 | Low | 61.3 | Low | 164 Ų | 164 | 149.2 Ų | 149.2 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | -101.7 | 70 | -160.3 | -169.2 | -177 | -171.1 | 175.5 | 0 | 108.3 | K9 | K7-K9 VanDerWaalsContact C-N 3.26Å; K7-K9 HydrophobicContact CG-CG 4.48Å; K7-K9 PolarHBondContact O-N 3.43Å | ||
| 8 | D | 60.4 | Low | 61.4 | Low | 153 Ų | 153 | 151.4 Ų | 151.4 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -82.6 | 82 | 173 | -73.3 | -29.6 | 0 | 0 | 0 | 109.1 | T6 G10 | T6-D8 PolarHBondContact O-N 2.99Å; D8-G10 PolarHBondContact O-N 2.8Å | ||
| 9 | K | 64 | Low | 61.4 | Low | 175 Ų | 175 | 149.4 Ų | 149.4 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | trans | -66.2 | 76.5 | 159.4 | -69.7 | -174.6 | 176 | -173.3 | 0 | 107.3 | K7 G11 | K7-K9 VanDerWaalsContact C-N 3.26Å; K7-K9 HydrophobicContact CG-CG 4.48Å; K7-K9 PolarHBondContact O-N 3.43Å; K9-G11 VanDerWaalsContact C-N 3.26Å; K9-G11 PolarHBondContact O-N 2.95Å | ||
| 10 | G | 54.1 | Low | 61.3 | Low | 65 Ų | 65 | 146.5 Ų | 146.5 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | trans | -58.6 | 94.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | D8 T12 | D8-G10 PolarHBondContact O-N 2.8Å; G10-T12 PolarHBondContact O-N 2.81Å | ||
| 11 | G | 63.8 | Low | 61.2 | Low | 66 Ų | 66 | 142.7 Ų | 142.7 | 68% | 0.68 | 75% | 0.754 | S | S | * | * | trans | -55.5 | 109.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | K9 I13 | K9-G11 VanDerWaalsContact C-N 3.26Å; K9-G11 PolarHBondContact O-N 2.95Å; G11-I13 PolarHBondContact O-N 2.87Å | ||
| 12 | T | 70.2 | Confident | 61.7 | Low | 127 Ų | 127 | 138.5 Ų | 138.5 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | trans | -58.6 | 107.4 | 177.8 | -51.5 | 0 | 0 | 0 | 0 | 107.1 | G10 R14 | G10-T12 PolarHBondContact O-N 2.81Å; T12-R14 VanDerWaalsContact C-N 3.32Å; T12-R14 PolarHBondContact O-N 2.83Å | ||
| 13 | I | 62 | Low | 61.7 | Low | 150 Ų | 150 | 135.1 Ų | 135.1 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | trans | -58.2 | 103.3 | 170.6 | -62.1 | 174.9 | 0 | 0 | 0 | 105.3 | G11 K15 | G11-I13 PolarHBondContact O-N 2.87Å; I13-K15 VanDerWaalsContact C-N 3.32Å; I13-K15 PolarHBondContact O-N 2.88Å | ||
| 14 | R | 67.7 | Low | 61.9 | Low | 223 Ų | 223 | 132.6 Ų | 132.6 | 84% | 0.842 | 70% | 0.703 | S | S | * | * | trans | -64.4 | 100.7 | 172.7 | -81.7 | -176.3 | 169 | -176.1 | -3.1 | 106.1 | T12 T16 | T12-R14 VanDerWaalsContact C-N 3.32Å; T12-R14 PolarHBondContact O-N 2.83Å; R14-T16 PolarHBondContact O-N 3.29Å | ||
| 15 | K | 64.4 | Low | 61.8 | Low | 196 Ų | 196 | 136.7 Ų | 136.7 | 85% | 0.852 | 70% | 0.7 | S | S | * | * | trans | -61.8 | 93.6 | 163 | -64.5 | -178.1 | -179.2 | 179.9 | 0 | 105.7 | I13 S17 | I13-K15 VanDerWaalsContact C-N 3.32Å; I13-K15 PolarHBondContact O-N 2.88Å; K15-S17 PolarHBondContact O-N 3.22Å | ||
| 16 | T | 66 | Low | 61.8 | Low | 125 Ų | 125 | 132.6 Ų | 132.6 | 77% | 0.767 | 68% | 0.681 | S | S | * | * | trans | -61.5 | 111.8 | 165 | 46.3 | 0 | 0 | 0 | 0 | 105.3 | R14 K18 | R14-T16 PolarHBondContact O-N 3.29Å; T16-K18 PolarHBondContact O-N 3Å | ||
| 17 | S | 64 | Low | 61.9 | Low | 52 Ų | 52 | 132.5 Ų | 132.5 | 36% | 0.364 | 67% | 0.672 | S | S | . | * | trans | -64.1 | 127.7 | -177.5 | 85.7 | 0 | 0 | 0 | 0 | 106.4 | K15 N19 D20 | K15-S17 PolarHBondContact O-N 3.22Å; S17-N19 PolarHBondContact O-N 2.85Å; S17-N19 WeakPolarHBondContact OG-CB 3.44Å; S17-D20 PolarHBondContact O-N 3.23Å; S17-D20 PolarHBondContact OG-OD2 2.79Å | ||
| 18 | K | 63.2 | Low | 62.1 | Low | 188 Ų | 188 | 130 Ų | 130 | 82% | 0.817 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | -11.1 | 171 | -71.3 | -177.7 | 177.5 | 178.8 | 0 | 112.2 | T16 D20 S21 | T16-K18 PolarHBondContact O-N 3Å; K18-D20 VanDerWaalsContact C-N 3.35Å; K18-D20 PolarHBondContact O-N 3.49Å; K18-S21 PolarHBondContact O-OG 2.87Å |
| 19 | N | 60.5 | Low | 62.7 | Low | 113 Ų | 113 | 126.3 Ų | 126.3 | 60% | 0.604 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -70.1 | -25.9 | -179.2 | -61.5 | -14.2 | 0 | 0 | 0 | 113.6 | S17 K22 K23 | S17-N19 PolarHBondContact O-N 2.85Å; S17-N19 WeakPolarHBondContact OG-CB 3.44Å; N19-K22 PolarHBondContact O-N 3.23Å; N19-K23 PolarHBondContact O-N 3.08Å |
| 20 | D | 59.7 | Low | 63.5 | Low | 92 Ų | 92 | 124.6 Ų | 124.6 | 49% | 0.492 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -68.5 | -42.3 | 179.9 | -61.8 | -44.9 | 0 | 0 | 0 | 110.6 | S17 K18 K22 K23 E24 | S17-D20 PolarHBondContact O-N 3.23Å; S17-D20 PolarHBondContact OG-OD2 2.79Å; K18-D20 VanDerWaalsContact C-N 3.35Å; K18-D20 PolarHBondContact O-N 3.49Å; D20-K22 VanDerWaalsContact C-N 3.27Å; D20-K22 PolarHBondContact O-N 3.21Å; D20-K23 PolarHBondContact O-N 3.41Å; D20-E24 PolarHBondContact O-N 3.37Å; D20-E24 VanDerWaalsContact O-N 3.08Å |
| 21 | S | 59.4 | Low | 64.8 | Low | 66 Ų | 66 | 127.5 Ų | 127.5 | 46% | 0.462 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -61.9 | -29.9 | 177.3 | 70.6 | 0 | 0 | 0 | 0 | 114.3 | K18 K25 | K18-S21 PolarHBondContact O-OG 2.87Å; S21-K25 WeakPolarHBondContact O-CG 3.47Å; S21-K25 PolarHBondContact O-N 3.44Å |
| 22 | K | 61.1 | Low | 65.7 | Low | 157 Ų | 157 | 129.6 Ų | 129.6 | 68% | 0.683 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -75.4 | -40.9 | 178.8 | -165.8 | 174.7 | -178.2 | -179.8 | 0 | 111.1 | N19 D20 K25 E26 | N19-K22 PolarHBondContact O-N 3.23Å; D20-K22 VanDerWaalsContact C-N 3.27Å; D20-K22 PolarHBondContact O-N 3.21Å; K22-K25 PolarHBondContact O-N 3.22Å; K22-E26 PolarHBondContact O-N 3.04Å; K22-E26 VanDerWaalsContact O-N 3.12Å |
| 23 | K | 58.6 | Low | 66.6 | Low | 144 Ų | 144 | 130.7 Ų | 130.7 | 63% | 0.626 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.3 | -40.8 | 176.8 | -74.8 | -175.8 | 178.2 | 178.5 | 0 | 112 | N19 D20 E26 Q27 | N19-K23 PolarHBondContact O-N 3.08Å; D20-K23 PolarHBondContact O-N 3.41Å; K23-E26 PolarHBondContact O-N 3.28Å; K23-Q27 PolarHBondContact O-N 3.1Å |
| 24 | E | 58 | Low | 67.9 | Low | 138 Ų | 138 | 129.6 Ų | 129.6 | 65% | 0.645 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61 | -46.2 | 176.8 | -75.2 | -178.4 | 171.5 | 0 | 0 | 112.1 | D20 E26 Q27 N28 | D20-E24 PolarHBondContact O-N 3.37Å; D20-E24 VanDerWaalsContact O-N 3.08Å; E24-E26 PolarHBondContact O-N 3.44Å; E24-Q27 PolarHBondContact O-N 3.44Å; E24-N28 WeakPolarHBondContact O-CB 3.48Å; E24-N28 PolarHBondContact O-N 3.45Å |
| 25 | K | 61.1 | Low | 68.9 | Low | 157 Ų | 157 | 126.5 Ų | 126.5 | 68% | 0.683 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -60.1 | -45 | 176.2 | -75.7 | -176.5 | -179.8 | -176.2 | 0 | 112 | S21 K22 N28 T29 | S21-K25 WeakPolarHBondContact O-CG 3.47Å; S21-K25 PolarHBondContact O-N 3.44Å; K22-K25 PolarHBondContact O-N 3.22Å; K25-N28 PolarHBondContact O-N 3.47Å; K25-T29 WeakPolarHBondContact O-CG2 3.46Å; K25-T29 PolarHBondContact O-N 3.47Å; K25-T29 VanDerWaalsContact O-N 3.08Å |
| 26 | E | 60.1 | Low | 70.1 | Confident | 106 Ų | 106 | 121.4 Ų | 121.4 | 50% | 0.495 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.7 | -40.8 | -178 | -161 | 178.7 | 162.5 | 0 | 0 | 112.1 | K22 K23 E24 N28 T29 K30 | K22-E26 PolarHBondContact O-N 3.04Å; K22-E26 VanDerWaalsContact O-N 3.12Å; K23-E26 PolarHBondContact O-N 3.28Å; E24-E26 PolarHBondContact O-N 3.44Å; E26-N28 VanDerWaalsContact C-N 3.32Å; E26-N28 PolarHBondContact O-N 3.32Å; E26-T29 PolarHBondContact O-N 3Å; E26-T29 PolarHBondContact O-OG1 3.48Å; E26-K30 PolarHBondContact O-N 2.72Å |
| 27 | Q | 62.1 | Low | 71.3 | Confident | 125 Ų | 125 | 119.8 Ų | 119.8 | 58% | 0.584 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.4 | -39.3 | 172.9 | -74.5 | -173.3 | 2.7 | 0 | 0 | 112.5 | K23 E24 T29 K30 K31 | K23-Q27 PolarHBondContact O-N 3.1Å; E24-Q27 PolarHBondContact O-N 3.44Å; Q27-T29 VanDerWaalsContact C-N 3.31Å; Q27-T29 PolarHBondContact O-N 3.02Å; Q27-K30 PolarHBondContact O-N 3.35Å; Q27-K31 PolarHBondContact O-N 3.12Å; Q27-K31 VanDerWaalsContact O-N 3.1Å |
| 28 | N | 63.8 | Low | 72.5 | Confident | 113 Ų | 113 | 120.9 Ų | 120.9 | 60% | 0.604 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.5 | -39.7 | 179.3 | -135.9 | -15.1 | 0 | 0 | 0 | 111.1 | E24 K25 E26 K30 K31 N32 | E24-N28 WeakPolarHBondContact O-CB 3.48Å; E24-N28 PolarHBondContact O-N 3.45Å; K25-N28 PolarHBondContact O-N 3.47Å; E26-N28 VanDerWaalsContact C-N 3.32Å; E26-N28 PolarHBondContact O-N 3.32Å; N28-K30 PolarHBondContact O-N 2.97Å; N28-K31 PolarHBondContact O-N 3.08Å; N28-N32 WeakPolarHBondContact O-CB 3.47Å; N28-N32 PolarHBondContact O-N 2.96Å |
| 29 | T | 73.5 | Confident | 73.7 | Confident | 75 Ų | 75 | 114.3 Ų | 114.3 | 46% | 0.46 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.7 | -39.2 | 175.9 | 65.2 | 0 | 0 | 0 | 0 | 113.3 | K25 E26 Q27 N32 K33 | K25-T29 WeakPolarHBondContact O-CG2 3.46Å; K25-T29 PolarHBondContact O-N 3.47Å; K25-T29 VanDerWaalsContact O-N 3.08Å; E26-T29 PolarHBondContact O-N 3Å; E26-T29 PolarHBondContact O-OG1 3.48Å; Q27-T29 VanDerWaalsContact C-N 3.31Å; Q27-T29 PolarHBondContact O-N 3.02Å; T29-N32 PolarHBondContact O-N 3.4Å; T29-K33 WeakPolarHBondContact O-CG 3.38Å; T29-K33 PolarHBondContact O-N 3.24Å |
| 30 | K | 80.1 | Confident | 75 | Confident | 139 Ų | 139 | 115.6 Ų | 115.6 | 60% | 0.604 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.3 | -44.6 | 178.4 | -71.2 | -177.2 | -177.6 | 177.1 | 0 | 111.7 | E26 Q27 N28 N32 K33 F34 | E26-K30 PolarHBondContact O-N 2.72Å; Q27-K30 PolarHBondContact O-N 3.35Å; N28-K30 PolarHBondContact O-N 2.97Å; K30-N32 VanDerWaalsContact C-N 3.34Å; K30-K33 PolarHBondContact O-N 3.4Å; K30-F34 PolarHBondContact O-N 3.33Å |
| 31 | K | 81.8 | Confident | 76.3 | Confident | 126 Ų | 126 | 115.2 Ų | 115.2 | 55% | 0.548 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 174.2 | -72.1 | -177 | 179.3 | -179.8 | 0 | 110.9 | Q27 N28 K33 F34 Y35 | Q27-K31 PolarHBondContact O-N 3.12Å; Q27-K31 VanDerWaalsContact O-N 3.1Å; N28-K31 PolarHBondContact O-N 3.08Å; K31-K33 PolarHBondContact O-N 3.45Å; K31-F34 WeakPolarHBondContact O-CB 3.37Å; K31-F34 PolarHBondContact O-N 3.03Å; K31-F34 VanDerWaalsContact O-N 3.15Å; K31-Y35 HydrophobicContact CB-CD2 4.48Å; K31-Y35 HydrophobicContact CB-CE2 4.3Å; K31-Y35 WeakPolarHBondContact O-CD2 3.42Å; K31-Y35 PolarHBondContact O-N 2.95Å |
| 32 | N | 82.7 | Confident | 77.6 | Confident | 110 Ų | 110 | 119 Ų | 119 | 59% | 0.588 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.8 | -44.1 | 179.7 | -154.2 | 61.4 | 0 | 0 | 0 | 112.2 | N28 T29 K30 F34 Y35 E36 | N28-N32 WeakPolarHBondContact O-CB 3.47Å; N28-N32 PolarHBondContact O-N 2.96Å; T29-N32 PolarHBondContact O-N 3.4Å; K30-N32 VanDerWaalsContact C-N 3.34Å; N32-F34 VanDerWaalsContact C-N 3.34Å; N32-F34 PolarHBondContact O-N 3.43Å; N32-Y35 PolarHBondContact O-N 3.34Å; N32-E36 WeakPolarHBondContact O-CB 3.07Å; N32-E36 PolarHBondContact O-N 3.49Å |
| 33 | K | 88.3 | Confident | 78.7 | Confident | 149 Ų | 149 | 117.9 Ų | 117.9 | 65% | 0.648 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.4 | -38.3 | 174.5 | -73.2 | -175.3 | -177.4 | -172.1 | 0 | 112.9 | T29 K30 K31 E36 L37 | T29-K33 WeakPolarHBondContact O-CG 3.38Å; T29-K33 PolarHBondContact O-N 3.24Å; K30-K33 PolarHBondContact O-N 3.4Å; K31-K33 PolarHBondContact O-N 3.45Å; K33-E36 PolarHBondContact O-N 3.15Å; K33-L37 PolarHBondContact O-N 3.49Å |
| 34 | F | 89.2 | Confident | 79.7 | Confident | 127 Ų | 127 | 117 Ų | 117 | 56% | 0.557 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64 | -48 | 176.1 | 179.7 | -98 | 0 | 0 | 0 | 111.4 | K30 K31 N32 E36 L37 I38 | K30-F34 PolarHBondContact O-N 3.33Å; K31-F34 WeakPolarHBondContact O-CB 3.37Å; K31-F34 PolarHBondContact O-N 3.03Å; K31-F34 VanDerWaalsContact O-N 3.15Å; N32-F34 VanDerWaalsContact C-N 3.34Å; N32-F34 PolarHBondContact O-N 3.43Å; F34-E36 VanDerWaalsContact C-N 3.32Å; F34-E36 PolarHBondContact O-N 2.93Å; F34-L37 PolarHBondContact O-N 2.94Å; F34-I38 HydrophobicContact CD1-CG1 4.3Å; F34-I38 HydrophobicContact CE1-CD1 4.49Å; F34-I38 HydrophobicContact CE1-CG1 3.9Å; F34-I38 HydrophobicContact CE2-CD1 4.42Å; F34-I38 HydrophobicContact CE2-CG1 4.46Å; F34-I38 HydrophobicContact CZ-CD1 4.09Å; F34-I38 HydrophobicContact CZ-CG1 3.99Å; F34-I38 WeakPolarHBondContact O-CG1 3.41Å; F34-I38 PolarHBondContact O-N 3.37Å |
| 35 | Y | 89.8 | Confident | 80.7 | Confident | 159 Ų | 159 | 117.2 Ų | 117.2 | 62% | 0.624 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.3 | -39 | 176.7 | -73.5 | -65.2 | 0 | 0 | 0 | 112.5 | K31 N32 L37 I38 A39 | K31-Y35 HydrophobicContact CB-CD2 4.48Å; K31-Y35 HydrophobicContact CB-CE2 4.3Å; K31-Y35 WeakPolarHBondContact O-CD2 3.42Å; K31-Y35 PolarHBondContact O-N 2.95Å; N32-Y35 PolarHBondContact O-N 3.34Å; Y35-L37 VanDerWaalsContact C-N 3.34Å; Y35-L37 PolarHBondContact O-N 3.47Å; Y35-I38 PolarHBondContact O-N 3.36Å; Y35-A39 WeakPolarHBondContact O-CB 3.46Å; Y35-A39 PolarHBondContact O-N 3.43Å |
| 36 | E | 89.7 | Confident | 81.5 | Confident | 89 Ų | 89 | 113.9 Ų | 113.9 | 42% | 0.416 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 174.8 | -170.5 | -177.8 | 172.4 | 0 | 0 | 111.9 | N32 K33 F34 A39 R40 | N32-E36 WeakPolarHBondContact O-CB 3.07Å; N32-E36 PolarHBondContact O-N 3.49Å; K33-E36 PolarHBondContact O-N 3.15Å; F34-E36 VanDerWaalsContact C-N 3.32Å; F34-E36 PolarHBondContact O-N 2.93Å; E36-A39 PolarHBondContact O-N 2.95Å; E36-R40 WeakPolarHBondContact O-CG 3.41Å; E36-R40 PolarHBondContact O-N 3.42Å; E36-R40 IonicContact OE1-CZ 3.45Å; E36-R40 IonicContact OE1-NE 3.63Å; E36-R40 IonicContact OE1-NH2 2.66Å; E36-R40 PolarHBondContact OE1-NH2 2.99Å |
| 37 | L | 90.3 | Very high | 82.4 | Confident | 90 Ų | 90 | 113 Ų | 113 | 47% | 0.471 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 176.8 | -174.2 | 66.1 | 0 | 0 | 0 | 112 | K33 F34 Y35 A39 R40 Q41 | K33-L37 PolarHBondContact O-N 3.49Å; F34-L37 PolarHBondContact O-N 2.94Å; Y35-L37 VanDerWaalsContact C-N 3.34Å; Y35-L37 PolarHBondContact O-N 3.47Å; L37-A39 VanDerWaalsContact C-N 3.33Å; L37-A39 PolarHBondContact O-N 3.36Å; L37-R40 PolarHBondContact O-N 3.33Å; L37-Q41 WeakPolarHBondContact O-CG 3.38Å; L37-Q41 PolarHBondContact O-N 3Å |
| 38 | I | 89.1 | Confident | 83.2 | Confident | 75 Ų | 75 | 110.9 Ų | 110.9 | 39% | 0.385 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 176.6 | -64.9 | -55.5 | 0 | 0 | 0 | 111.2 | F34 Y35 R40 Q41 K42 | F34-I38 HydrophobicContact CD1-CG1 4.3Å; F34-I38 HydrophobicContact CE1-CD1 4.49Å; F34-I38 HydrophobicContact CE1-CG1 3.9Å; F34-I38 HydrophobicContact CE2-CD1 4.42Å; F34-I38 HydrophobicContact CE2-CG1 4.46Å; F34-I38 HydrophobicContact CZ-CD1 4.09Å; F34-I38 HydrophobicContact CZ-CG1 3.99Å; F34-I38 WeakPolarHBondContact O-CG1 3.41Å; F34-I38 PolarHBondContact O-N 3.37Å; Y35-I38 PolarHBondContact O-N 3.36Å; I38-R40 PolarHBondContact O-N 3.04Å; I38-Q41 PolarHBondContact O-N 3.48Å; I38-K42 WeakPolarHBondContact O-CB 3.44Å; I38-K42 PolarHBondContact O-N 3.21Å |
| 39 | A | 89.5 | Confident | 84 | Confident | 50 Ų | 50 | 111 Ų | 111 | 41% | 0.413 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y35 E36 L37 K42 Q43 | Y35-A39 WeakPolarHBondContact O-CB 3.46Å; Y35-A39 PolarHBondContact O-N 3.43Å; E36-A39 PolarHBondContact O-N 2.95Å; L37-A39 VanDerWaalsContact C-N 3.33Å; L37-A39 PolarHBondContact O-N 3.36Å; A39-K42 PolarHBondContact O-N 3.07Å; A39-Q43 WeakPolarHBondContact O-CG 3.41Å; A39-Q43 PolarHBondContact O-N 2.66Å |
| 40 | R | 87.7 | Confident | 84.4 | Confident | 140 Ų | 140 | 112.1 Ų | 112.1 | 53% | 0.528 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 175.4 | -69.3 | 176.5 | -173.1 | -164 | 2.1 | 112.1 | E36 L37 I38 K42 Q43 M44 | E36-R40 WeakPolarHBondContact O-CG 3.41Å; E36-R40 PolarHBondContact O-N 3.42Å; E36-R40 IonicContact OE1-CZ 3.45Å; E36-R40 IonicContact OE1-NE 3.63Å; E36-R40 IonicContact OE1-NH2 2.66Å; E36-R40 PolarHBondContact OE1-NH2 2.99Å; L37-R40 PolarHBondContact O-N 3.33Å; I38-R40 PolarHBondContact O-N 3.04Å; R40-K42 VanDerWaalsContact C-N 3.31Å; R40-K42 PolarHBondContact O-N 3.01Å; R40-Q43 PolarHBondContact O-N 3.47Å; R40-M44 WeakPolarHBondContact O-CG 3.48Å; R40-M44 PolarHBondContact O-N 3.23Å |
| 41 | Q | 86.5 | Confident | 84.5 | Confident | 84 Ų | 84 | 109.8 Ų | 109.8 | 39% | 0.393 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.8 | -39.5 | 176.8 | -71.8 | -178.7 | 15.2 | 0 | 0 | 112.1 | L37 I38 M44 K45 | L37-Q41 WeakPolarHBondContact O-CG 3.38Å; L37-Q41 PolarHBondContact O-N 3Å; I38-Q41 PolarHBondContact O-N 3.48Å; Q41-M44 HydrophobicContact CG-CE 4.26Å; Q41-M44 PolarHBondContact O-N 3.25Å; Q41-K45 WeakPolarHBondContact O-CG 3.3Å; Q41-K45 PolarHBondContact O-N 3.34Å |
| 42 | K | 87.4 | Confident | 84.6 | Confident | 147 Ų | 147 | 108.2 Ų | 108.2 | 64% | 0.639 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.2 | -41.8 | 175.6 | -171.2 | 176.3 | -179.9 | -179.9 | 0 | 111.9 | I38 A39 R40 N46 | I38-K42 WeakPolarHBondContact O-CB 3.44Å; I38-K42 PolarHBondContact O-N 3.21Å; A39-K42 PolarHBondContact O-N 3.07Å; R40-K42 VanDerWaalsContact C-N 3.31Å; R40-K42 PolarHBondContact O-N 3.01Å; K42-N46 PolarHBondContact O-N 3.42Å |
| 43 | Q | 82.8 | Confident | 84.7 | Confident | 132 Ų | 132 | 104.4 Ų | 104.4 | 62% | 0.617 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.9 | -45.2 | 176.1 | -74.3 | 176.7 | -11.7 | 0 | 0 | 112.1 | A39 R40 K45 N46 V47 | A39-Q43 WeakPolarHBondContact O-CG 3.41Å; A39-Q43 PolarHBondContact O-N 2.66Å; R40-Q43 PolarHBondContact O-N 3.47Å; Q43-K45 VanDerWaalsContact C-N 3.35Å; Q43-K45 PolarHBondContact O-N 3.43Å; Q43-N46 PolarHBondContact O-N 3.39Å; Q43-V47 WeakPolarHBondContact O-CG2 3.43Å; Q43-V47 PolarHBondContact O-N 3.45Å; Q43-V47 VanDerWaalsContact O-N 3.08Å |
| 44 | M | 80 | Confident | 84.5 | Confident | 125 Ų | 125 | 104.1 Ų | 104.1 | 62% | 0.616 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.1 | -38.9 | -179.6 | -69.5 | -171.4 | -63.7 | 0 | 0 | 113 | R40 Q41 N46 V47 S48 | R40-M44 WeakPolarHBondContact O-CG 3.48Å; R40-M44 PolarHBondContact O-N 3.23Å; Q41-M44 HydrophobicContact CG-CE 4.26Å; Q41-M44 PolarHBondContact O-N 3.25Å; M44-N46 VanDerWaalsContact C-N 3.33Å; M44-N46 PolarHBondContact O-N 2.93Å; M44-V47 PolarHBondContact O-N 3.49Å; M44-S48 PolarHBondContact O-N 3.39Å |
| 45 | K | 79.1 | Confident | 84.2 | Confident | 144 Ų | 144 | 103.4 Ų | 103.4 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.5 | -41.6 | 176.6 | -72.5 | -178.6 | 179.9 | -174.1 | 0 | 112.1 | Q41 Q43 S48 L49 | Q41-K45 WeakPolarHBondContact O-CG 3.3Å; Q41-K45 PolarHBondContact O-N 3.34Å; Q43-K45 VanDerWaalsContact C-N 3.35Å; Q43-K45 PolarHBondContact O-N 3.43Å; K45-S48 PolarHBondContact O-N 3.3Å; K45-L49 PolarHBondContact O-N 3.03Å; K45-L49 VanDerWaalsContact O-N 3.11Å |
| 46 | N | 78.3 | Confident | 83.8 | Confident | 87 Ų | 87 | 101 Ų | 101 | 47% | 0.465 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.8 | -42 | 177.7 | -68.4 | -9.7 | 0 | 0 | 0 | 111.6 | K42 Q43 M44 S48 L49 I50 | K42-N46 PolarHBondContact O-N 3.42Å; Q43-N46 PolarHBondContact O-N 3.39Å; M44-N46 VanDerWaalsContact C-N 3.33Å; M44-N46 PolarHBondContact O-N 2.93Å; N46-S48 VanDerWaalsContact C-N 3.34Å; N46-S48 PolarHBondContact O-N 3.11Å; N46-L49 PolarHBondContact O-N 3.22Å; N46-I50 VanDerWaalsContact O-CG1 3.3Å; N46-I50 WeakPolarHBondContact O-CG1 3.44Å; N46-I50 PolarHBondContact O-N 3.33Å |
| 47 | V | 79.3 | Confident | 83.4 | Confident | 87 Ų | 87 | 102.4 Ų | 102.4 | 53% | 0.527 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | 176.4 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | Q43 M44 L49 I50 V51 | Q43-V47 WeakPolarHBondContact O-CG2 3.43Å; Q43-V47 PolarHBondContact O-N 3.45Å; Q43-V47 VanDerWaalsContact O-N 3.08Å; M44-V47 PolarHBondContact O-N 3.49Å; V47-L49 VanDerWaalsContact C-N 3.31Å; V47-L49 PolarHBondContact O-N 3Å; V47-I50 PolarHBondContact O-N 3.48Å; V47-V51 HydrophobicContact CG1-CG2 4.32Å; V47-V51 WeakPolarHBondContact O-CG2 3.42Å; V47-V51 PolarHBondContact O-N 2.87Å |
| 48 | S | 79.3 | Confident | 82.8 | Confident | 80 Ų | 80 | 105 Ų | 105 | 56% | 0.559 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.3 | -39.9 | 176.8 | -173.7 | 0 | 0 | 0 | 0 | 112.7 | M44 K45 N46 L52 | M44-S48 PolarHBondContact O-N 3.39Å; K45-S48 PolarHBondContact O-N 3.3Å; N46-S48 VanDerWaalsContact C-N 3.34Å; N46-S48 PolarHBondContact O-N 3.11Å; S48-L52 WeakPolarHBondContact O-CB 3.35Å; S48-L52 PolarHBondContact O-N 3.08Å |
| 49 | L | 79.3 | Confident | 82 | Confident | 117 Ų | 117 | 110.5 Ų | 110.5 | 61% | 0.613 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66 | -40.7 | 175.9 | -80.4 | 159.7 | 0 | 0 | 0 | 111.9 | K45 N46 V47 L52 G53 | K45-L49 PolarHBondContact O-N 3.03Å; K45-L49 VanDerWaalsContact O-N 3.11Å; N46-L49 PolarHBondContact O-N 3.22Å; V47-L49 VanDerWaalsContact C-N 3.31Å; V47-L49 PolarHBondContact O-N 3Å; L49-L52 PolarHBondContact O-N 2.95Å; L49-G53 PolarHBondContact O-N 2.93Å |
| 50 | I | 81.3 | Confident | 80.8 | Confident | 98 Ų | 98 | 116.6 Ų | 116.6 | 50% | 0.503 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.9 | -47.9 | 177.3 | -68.8 | 165.1 | 0 | 0 | 0 | 110.4 | N46 V47 L52 G53 F54 | N46-I50 VanDerWaalsContact O-CG1 3.3Å; N46-I50 WeakPolarHBondContact O-CG1 3.44Å; N46-I50 PolarHBondContact O-N 3.33Å; V47-I50 PolarHBondContact O-N 3.48Å; I50-L52 VanDerWaalsContact C-N 3.34Å; I50-L52 PolarHBondContact O-N 3.35Å; I50-G53 PolarHBondContact O-N 2.9Å; I50-F54 HydrophobicContact CG2-CD2 3.61Å; I50-F54 HydrophobicContact CG2-CE2 3.49Å; I50-F54 VanDerWaalsContact CG2-CE2 3.49Å; I50-F54 VanDerWaalsContact O-CD2 3.25Å; I50-F54 WeakPolarHBondContact O-CD2 3.37Å; I50-F54 PolarHBondContact O-N 3.19Å |
| 51 | V | 83.5 | Confident | 80.5 | Confident | 90 Ų | 90 | 115.5 Ų | 115.5 | 55% | 0.545 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.8 | -43.1 | 178.3 | 173.9 | 0 | 0 | 0 | 0 | 111 | V47 G53 F54 L55 | V47-V51 HydrophobicContact CG1-CG2 4.32Å; V47-V51 WeakPolarHBondContact O-CG2 3.42Å; V47-V51 PolarHBondContact O-N 2.87Å; V51-G53 VanDerWaalsContact C-N 3.33Å; V51-G53 PolarHBondContact O-N 3.2Å; V51-F54 PolarHBondContact O-N 3.06Å; V51-L55 WeakPolarHBondContact O-CB 3.25Å; V51-L55 PolarHBondContact O-N 3.03Å |
| 52 | L | 83.8 | Confident | 80.1 | Confident | 93 Ų | 93 | 117.1 Ų | 117.1 | 49% | 0.487 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.5 | -40 | 175.8 | -175.4 | 63.8 | 0 | 0 | 0 | 111.8 | S48 L49 I50 L55 L56 | S48-L52 WeakPolarHBondContact O-CB 3.35Å; S48-L52 PolarHBondContact O-N 3.08Å; L49-L52 PolarHBondContact O-N 2.95Å; I50-L52 VanDerWaalsContact C-N 3.34Å; I50-L52 PolarHBondContact O-N 3.35Å; L52-L55 PolarHBondContact O-N 3.46Å; L52-L56 HydrophobicContact CD1-CD1 4.48Å; L52-L56 HydrophobicContact CG-CD1 4.06Å; L52-L56 WeakPolarHBondContact O-CB 3.41Å; L52-L56 WeakPolarHBondContact O-CD1 3.47Å; L52-L56 WeakPolarHBondContact O-CG 3.48Å; L52-L56 PolarHBondContact O-N 3.46Å |
| 53 | G | 85 | Confident | 79.7 | Confident | 29 Ų | 29 | 115.4 Ų | 115.4 | 30% | 0.299 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -61.4 | -46.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L49 I50 V51 L55 L56 I57 | L49-G53 PolarHBondContact O-N 2.93Å; I50-G53 PolarHBondContact O-N 2.9Å; V51-G53 VanDerWaalsContact C-N 3.33Å; V51-G53 PolarHBondContact O-N 3.2Å; G53-L55 PolarHBondContact O-N 3.43Å; G53-L56 PolarHBondContact O-N 3.37Å; G53-I57 VanDerWaalsContact O-CG1 3.29Å; G53-I57 WeakPolarHBondContact O-CG1 3.49Å; G53-I57 PolarHBondContact O-N 2.93Å |
| 54 | F | 83.8 | Confident | 79.6 | Confident | 144 Ų | 144 | 114.5 Ų | 114.5 | 63% | 0.632 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61.9 | -41.8 | 174.4 | -82.9 | -68.8 | 0 | 0 | 0 | 112.3 | I50 V51 L56 I57 D58 | I50-F54 HydrophobicContact CG2-CD2 3.61Å; I50-F54 HydrophobicContact CG2-CE2 3.49Å; I50-F54 VanDerWaalsContact CG2-CE2 3.49Å; I50-F54 VanDerWaalsContact O-CD2 3.25Å; I50-F54 WeakPolarHBondContact O-CD2 3.37Å; I50-F54 PolarHBondContact O-N 3.19Å; V51-F54 PolarHBondContact O-N 3.06Å; F54-L56 VanDerWaalsContact C-N 3.31Å; F54-L56 PolarHBondContact O-N 3.49Å; F54-I57 PolarHBondContact O-N 3.38Å; F54-D58 WeakPolarHBondContact O-CB 3.47Å; F54-D58 PolarHBondContact O-N 3.25Å |
| 55 | L | 82.2 | Confident | 79.5 | Confident | 111 Ų | 111 | 113.8 Ų | 113.8 | 58% | 0.581 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.9 | -34.8 | 178.1 | -171.5 | 69.1 | 0 | 0 | 0 | 112.4 | V51 L52 G53 K59 | V51-L55 WeakPolarHBondContact O-CB 3.25Å; V51-L55 PolarHBondContact O-N 3.03Å; L52-L55 PolarHBondContact O-N 3.46Å; G53-L55 PolarHBondContact O-N 3.43Å; L55-K59 WeakPolarHBondContact O-CB 3.29Å; L55-K59 PolarHBondContact O-N 3.3Å |
| 56 | L | 82.2 | Confident | 79.6 | Confident | 109 Ų | 109 | 111.8 Ų | 111.8 | 57% | 0.571 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.1 | -37.5 | 174.8 | -80.6 | 158.9 | 0 | 0 | 0 | 112 | L52 G53 F54 T60 | L52-L56 HydrophobicContact CD1-CD1 4.48Å; L52-L56 HydrophobicContact CG-CD1 4.06Å; L52-L56 WeakPolarHBondContact O-CB 3.41Å; L52-L56 WeakPolarHBondContact O-CD1 3.47Å; L52-L56 WeakPolarHBondContact O-CG 3.48Å; L52-L56 PolarHBondContact O-N 3.46Å; G53-L56 PolarHBondContact O-N 3.37Å; F54-L56 VanDerWaalsContact C-N 3.31Å; F54-L56 PolarHBondContact O-N 3.49Å; L56-T60 PolarHBondContact O-OG1 2.93Å; L56-T60 VanDerWaalsContact O-OG1 3.06Å |
| 57 | I | 80.8 | Confident | 79.7 | Confident | 119 Ų | 119 | 113.6 Ų | 113.6 | 61% | 0.61 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.3 | -44.9 | 176.5 | -66.9 | 164.6 | 0 | 0 | 0 | 110.7 | G53 F54 K59 T60 | G53-I57 VanDerWaalsContact O-CG1 3.29Å; G53-I57 WeakPolarHBondContact O-CG1 3.49Å; G53-I57 PolarHBondContact O-N 2.93Å; F54-I57 PolarHBondContact O-N 3.38Å; I57-K59 PolarHBondContact O-N 3.28Å; I57-T60 PolarHBondContact O-N 3.27Å |
| 58 | D | 77.9 | Confident | 79.7 | Confident | 143 Ų | 143 | 115.6 Ų | 115.6 | 77% | 0.765 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66 | -24.1 | -178.2 | -169.1 | 66.6 | 0 | 0 | 0 | 113.4 | F54 | F54-D58 WeakPolarHBondContact O-CB 3.47Å; F54-D58 PolarHBondContact O-N 3.25Å |
| 59 | K | 72.4 | Confident | 79.7 | Confident | 192 Ų | 192 | 118.6 Ų | 118.6 | 84% | 0.835 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -6.4 | -179.3 | -147.7 | 179.7 | -177.8 | 174.8 | 0 | 114.1 | L55 I57 | L55-K59 WeakPolarHBondContact O-CB 3.29Å; L55-K59 PolarHBondContact O-N 3.3Å; I57-K59 PolarHBondContact O-N 3.28Å |
| 60 | T | 64.4 | Low | 79.7 | Confident | 178 Ų | 178 | 118.7 Ų | 118.7 | 100% | 1.092 | 63% | 0.629 | S | S | * | * | trans | -105.1 | 0 | 178.7 | -49.4 | 0 | 0 | 0 | 0 | 109.8 | L56 I57 | L56-T60 PolarHBondContact O-OG1 2.93Å; L56-T60 VanDerWaalsContact O-OG1 3.06Å; I57-T60 PolarHBondContact O-N 3.27Å |
Retrieved 60 of 60 residues in 42.5 ms
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