| 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 | Very low | 51.2 | Low | 235 Ų | 235 | 160.6 Ų | 160.6 | 100% | 1.158 | 74% | 0.744 | S | S | * | * | 0 | 118.1 | 0 | -89.6 | 86 | 136.4 | 0 | 0 | 110.1 | |||||
| 2 | S | 48.4 | Very low | 51.2 | Low | 86 Ų | 86 | 160.9 Ų | 160.9 | 60% | 0.601 | 75% | 0.746 | S | S | * | * | trans | -145 | 85.8 | 163 | -172.6 | 0 | 0 | 0 | 0 | 108.2 | K4 H5 | S2-K4 PolarHBondContact O-N 2.65Å; S2-H5 PolarHBondContact OG-CD2 2.86Å | ||
| 3 | E | 57.6 | Low | 51.2 | Low | 173 Ų | 173 | 159.8 Ų | 159.8 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -80.3 | 2 | -174.3 | -63.1 | -170.5 | 129.8 | 0 | 0 | 113.5 | ||
| 4 | K | 57.1 | Low | 51.4 | Low | 184 Ų | 184 | 156.4 Ų | 156.4 | 80% | 0.8 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -84.1 | -10.2 | -173.7 | -60.6 | -138.2 | 177.5 | -172.7 | 0 | 114.8 | S2 | S2-K4 PolarHBondContact O-N 2.65Š|
| 5 | H | 53.7 | Low | 51.3 | Low | 143 Ų | 143 | 154.3 Ų | 154.3 | 66% | 0.662 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -93.7 | -9.8 | -177.3 | -64 | -78.1 | 0 | 0 | 0 | 114.3 | S2 | S2-H5 PolarHBondContact OG-CD2 2.86Š|
| 6 | K | 52.2 | Low | 51.2 | Low | 173 Ų | 173 | 154.6 Ų | 154.6 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -82.1 | -26.7 | -176 | -106.7 | -175.5 | 178.5 | -172.3 | 0 | 114.6 | W8 | K6-W8 PolarHBondContact O-N 2.97Å |
| 7 | W | 48.7 | Very low | 51.1 | Low | 199 Ų | 199 | 152.9 Ų | 152.9 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -73.9 | -29.9 | -168.2 | -141.7 | 77.3 | 0 | 0 | 0 | 113.7 | ||
| 8 | W | 47.8 | Very low | 50.7 | Low | 192 Ų | 192 | 153.8 Ų | 153.8 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -79.1 | -30.9 | -179.7 | -64.6 | 106.4 | 0 | 0 | 0 | 113.3 | K6 Q10 | K6-W8 PolarHBondContact O-N 2.97Å; W8-Q10 VanDerWaalsContact C-N 3.29Å; W8-Q10 PolarHBondContact O-N 3.29Å |
| 9 | Q | 51.5 | Low | 50.9 | Low | 143 Ų | 143 | 155.5 Ų | 155.5 | 67% | 0.668 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -74.8 | -17.2 | 179.6 | -75.4 | -171.1 | -33.7 | 0 | 0 | 113.9 | ||
| 10 | Q | 48.9 | Very low | 50.4 | Low | 138 Ų | 138 | 149.9 Ų | 149.9 | 65% | 0.645 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -80.7 | -20.4 | -179.1 | -166.5 | 165 | -42.1 | 0 | 0 | 113 | W8 I14 | W8-Q10 VanDerWaalsContact C-N 3.29Å; W8-Q10 PolarHBondContact O-N 3.29Å; Q10-I14 HydrophobicContact CG-CD1 4.38Å; Q10-I14 VanDerWaalsContact O-CD1 3.32Å; Q10-I14 WeakPolarHBondContact O-CD1 3.36Å; Q10-I14 WeakPolarHBondContact O-CG1 3.3Å |
| 11 | V | 54.3 | Low | 50.3 | Low | 101 Ų | 101 | 148.6 Ų | 148.6 | 61% | 0.612 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -81 | -29.8 | 178.3 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | ||
| 12 | E | 51.3 | Low | 50.5 | Low | 164 Ų | 164 | 147 Ų | 147 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -82.4 | -17.2 | -177 | -65.6 | -179.8 | -177.4 | 0 | 0 | 113.6 | ||
| 13 | N | 51.7 | Low | 50.5 | Low | 146 Ų | 146 | 151.7 Ų | 151.7 | 78% | 0.781 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 0.1 | -175.3 | -130 | -29.2 | 0 | 0 | 0 | 113.8 | ||
| 14 | I | 53.5 | Low | 50 | Low | 113 Ų | 113 | 149.9 Ų | 149.9 | 58% | 0.579 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -103.8 | 111.4 | 178 | -55.6 | 171.5 | 0 | 0 | 0 | 108 | Q10 | Q10-I14 HydrophobicContact CG-CD1 4.38Å; Q10-I14 VanDerWaalsContact O-CD1 3.32Å; Q10-I14 WeakPolarHBondContact O-CD1 3.36Å; Q10-I14 WeakPolarHBondContact O-CG1 3.3Å |
| 15 | D | 49.6 | Very low | 49.5 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 66% | 0.663 | 72% | 0.717 | S | S | * | * | trans | 84.7 | 60.7 | 159.1 | -86.2 | -23.3 | 0 | 0 | 0 | 120.6 | ||||
| 16 | I | 49.8 | Very low | 49.4 | Very low | 160 Ų | 160 | 144.8 Ų | 144.8 | 82% | 0.821 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -107.3 | 25.4 | 146.2 | -43.6 | 175.8 | 0 | 0 | 0 | 111.4 | ||
| 17 | T | 49.4 | Very low | 49.2 | Very low | 126 Ų | 126 | 142 Ų | 142 | 77% | 0.773 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -128.8 | 33.3 | -179 | -32 | 0 | 0 | 0 | 0 | 113.6 | ||
| 18 | H | 44.4 | Very low | 49.2 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 78% | 0.782 | 70% | 0.701 | S | S | * | * | trans | -146.8 | 76.5 | 166.1 | -131.5 | -102.7 | 0 | 0 | 0 | 111.6 | G20 | H18-G20 PolarHBondContact O-N 2.82Š| ||
| 19 | L | 54.3 | Low | 49.4 | Very low | 185 Ų | 185 | 136.1 Ų | 136.1 | 97% | 0.969 | 70% | 0.697 | S | S | * | * | trans | -64.2 | 99.1 | 162.9 | -96.7 | 104 | 0 | 0 | 0 | 109.2 | ||||
| 20 | G | 41.8 | Very low | 49.1 | Very low | 43 Ų | 43 | 131.8 Ų | 131.8 | 44% | 0.443 | 69% | 0.691 | S | S | . | * | trans | -135.6 | 150.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | H18 K22 | H18-G20 PolarHBondContact O-N 2.82Å; G20-K22 PolarHBondContact O-N 3Å | ||
| 21 | P | 46.4 | Very low | 48.9 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 81% | 0.805 | 70% | 0.699 | S | S | * | * | trans | -67.7 | 102.1 | -146.8 | -18.6 | 31.2 | 0 | 0 | 0 | 114.3 | R23 | P21-R23 PolarHBondContact O-N 3.02Š| ||
| 22 | K | 47.6 | Very low | 48.6 | Very low | 202 Ų | 202 | 137 Ų | 137 | 88% | 0.878 | 70% | 0.699 | S | S | * | * | trans | -69.5 | 63.7 | 166.4 | -74.7 | -164.4 | 176.2 | 178.7 | 0 | 111.5 | G20 | G20-K22 PolarHBondContact O-N 3Š| ||
| 23 | R | 49.4 | Very low | 48.6 | Very low | 183 Ų | 183 | 136.4 Ų | 136.4 | 69% | 0.691 | 70% | 0.696 | S | S | * | * | trans | -119.6 | 8.3 | -179.4 | -74.5 | -164.4 | -172.7 | 168.8 | 3.2 | 116.2 | P21 Y26 | P21-R23 PolarHBondContact O-N 3.02Å; R23-Y26 VanDerWaalsContact C-CZ 3.43Å; R23-Y26 WeakPolarHBondContact CA-OH 3.39Å; R23-Y26 WeakPolarHBondContact CB-OH 3.32Å; R23-Y26 WeakPolarHBondContact O-CE2 3.19Å; R23-Y26 PolarHBondContact O-OH 3.21Å | ||
| 24 | K | 46.2 | Very low | 48.6 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 59% | 0.587 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -131.9 | 1.1 | -177.1 | -67.3 | -66 | -179.6 | -174.1 | 0 | 116.4 | Y26 E27 | K24-Y26 VanDerWaalsContact C-N 3.35Å; K24-E27 VanDerWaalsContact CD-OE2 3.3Å; K24-E27 WeakPolarHBondContact CD-OE2 3.38Å; K24-E27 IonicContact NZ-OE1 3.73Å; K24-E27 PolarHBondContact NZ-OE1 3.31Å; K24-E27 IonicContact NZ-OE2 2.87Å; K24-E27 PolarHBondContact NZ-OE2 3.46Å |
| 25 | A | 47.9 | Very low | 48.5 | Very low | 85 Ų | 85 | 139 Ų | 139 | 70% | 0.702 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -72.9 | -27.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 26 | Y | 50.6 | Low | 48.7 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 53% | 0.533 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -83.2 | -24.4 | -179.4 | 42.9 | -99.7 | 0 | 0 | 0 | 113.8 | R23 K24 | R23-Y26 VanDerWaalsContact C-CZ 3.43Å; R23-Y26 WeakPolarHBondContact CA-OH 3.39Å; R23-Y26 WeakPolarHBondContact CB-OH 3.32Å; R23-Y26 WeakPolarHBondContact O-CE2 3.19Å; R23-Y26 PolarHBondContact O-OH 3.21Å; K24-Y26 VanDerWaalsContact C-N 3.35Å |
| 27 | E | 48 | Very low | 49.2 | Very low | 113 Ų | 113 | 139 Ų | 139 | 53% | 0.528 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -75.8 | -25.1 | 177.3 | -73.9 | -179.2 | -164.1 | 0 | 0 | 112.7 | K24 | K24-E27 VanDerWaalsContact CD-OE2 3.3Å; K24-E27 WeakPolarHBondContact CD-OE2 3.38Å; K24-E27 IonicContact NZ-OE1 3.73Å; K24-E27 PolarHBondContact NZ-OE1 3.31Å; K24-E27 IonicContact NZ-OE2 2.87Å; K24-E27 PolarHBondContact NZ-OE2 3.46Å |
| 28 | L | 49.6 | Very low | 49.6 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 78% | 0.775 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -83.6 | -23.5 | 177.7 | -134.3 | 145.1 | 0 | 0 | 0 | 112.2 | ||
| 29 | L | 51.8 | Low | 50.6 | Low | 121 Ų | 121 | 134 Ų | 134 | 63% | 0.634 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -75.8 | -26.5 | 174.7 | -152.6 | 75.8 | 0 | 0 | 0 | 112.6 | R31 | L29-R31 PolarHBondContact O-N 2.59Å |
| 30 | G | 45.2 | Very low | 50.8 | Low | 52 Ų | 52 | 135.7 Ų | 135.7 | 54% | 0.536 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.9 | -9.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 31 | R | 45 | Very low | 51.5 | Low | 220 Ų | 220 | 143.2 Ų | 143.2 | 83% | 0.83 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 5.9 | 179.7 | -153 | -177.9 | -135.5 | -147.3 | 2 | 114.1 | L29 | L29-R31 PolarHBondContact O-N 2.59Š|
| 32 | H | 48 | Very low | 52 | Low | 128 Ų | 128 | 140.6 Ų | 140.6 | 59% | 0.593 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -120.6 | 4.6 | 174.5 | -153.2 | 52.9 | 0 | 0 | 0 | 112.9 | E34 Q35 | H32-E34 VanDerWaalsContact C-N 3.32Å; H32-Q35 PolarHBondContact CE1-NE2 2.81Å; H32-Q35 VanDerWaalsContact CE1-NE2 3.31Å; H32-Q35 PolarHBondContact ND1-NE2 2.85Å |
| 33 | E | 51 | Low | 52.5 | Low | 151 Ų | 151 | 134.6 Ų | 134.6 | 71% | 0.706 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -1.6 | 171.3 | -64.8 | -170.8 | 168.1 | 0 | 0 | 112.6 | Q35 | E33-Q35 VanDerWaalsContact C-N 3.34Š|
| 34 | E | 50.2 | Low | 52.8 | Low | 177 Ų | 177 | 131.7 Ų | 131.7 | 83% | 0.827 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -1.5 | 172.4 | -156.8 | 174.4 | -168.6 | 0 | 0 | 112.8 | H32 V36 | H32-E34 VanDerWaalsContact C-N 3.32Å; E34-V36 PolarHBondContact O-N 3.07Å |
| 35 | Q | 51.4 | Low | 53.3 | Low | 138 Ų | 138 | 131.6 Ų | 131.6 | 65% | 0.645 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -91.8 | 80.5 | 169.9 | -67.9 | -171.4 | 34.6 | 0 | 0 | 109.4 | H32 E33 | H32-Q35 PolarHBondContact CE1-NE2 2.81Å; H32-Q35 VanDerWaalsContact CE1-NE2 3.31Å; H32-Q35 PolarHBondContact ND1-NE2 2.85Å; E33-Q35 VanDerWaalsContact C-N 3.34Å |
| 36 | V | 54.2 | Low | 53.8 | Low | 106 Ų | 106 | 134.6 Ų | 134.6 | 64% | 0.642 | 64% | 0.641 | S | S | * | * | trans | 52.9 | 111.6 | 159.6 | -167.7 | 0 | 0 | 0 | 0 | 113 | E34 I38 | E34-V36 PolarHBondContact O-N 3.07Å; V36-I38 HydrophobicContact CB-CD1 4.43Å; V36-I38 HydrophobicContact CB-CG1 3.91Å; V36-I38 HydrophobicContact CG1-CD1 4.19Å; V36-I38 HydrophobicContact CG1-CG1 3.44Å; V36-I38 VanDerWaalsContact CG1-CG1 3.44Å; V36-I38 PolarHBondContact O-N 3.3Å | ||
| 37 | L | 60.1 | Low | 54.1 | Low | 178 Ų | 178 | 135.2 Ų | 135.2 | 93% | 0.932 | 65% | 0.646 | S | S | * | * | trans | -55.2 | 64.8 | 161.5 | -77.7 | 148.9 | 0 | 0 | 0 | 111.1 | N39 | L37-N39 VanDerWaalsContact C-N 3.33Å; L37-N39 PolarHBondContact O-N 3.46Å | ||
| 38 | I | 58.9 | Low | 54.4 | Low | 112 Ų | 112 | 134 Ų | 134 | 57% | 0.574 | 64% | 0.643 | S | S | * | * | trans | -77 | 98.5 | 167 | -55.7 | -176.5 | 0 | 0 | 0 | 103.4 | V36 R40 V43 | V36-I38 HydrophobicContact CB-CD1 4.43Å; V36-I38 HydrophobicContact CB-CG1 3.91Å; V36-I38 HydrophobicContact CG1-CD1 4.19Å; V36-I38 HydrophobicContact CG1-CG1 3.44Å; V36-I38 VanDerWaalsContact CG1-CG1 3.44Å; V36-I38 PolarHBondContact O-N 3.3Å; I38-R40 PolarHBondContact O-N 3.36Å; I38-V43 HydrophobicContact CG2-CG2 3.37Å | ||
| 39 | N | 64.4 | Low | 54.9 | Low | 78 Ų | 78 | 129.7 Ų | 129.7 | 42% | 0.417 | 63% | 0.629 | S | S | . | * | trans | -49.6 | 104.3 | 173.6 | -175.4 | 11.2 | 0 | 0 | 0 | 108.2 | L37 R41 D42 V43 | L37-N39 VanDerWaalsContact C-N 3.33Å; L37-N39 PolarHBondContact O-N 3.46Å; N39-R41 PolarHBondContact O-N 2.96Å; N39-R41 WeakPolarHBondContact OD1-CB 3.48Å; N39-R41 PolarHBondContact OD1-N 3.34Å; N39-D42 HydrophobicContact CB-CB 4.14Å; N39-D42 PolarHBondContact ND2-OD1 3.14Å; N39-D42 WeakPolarHBondContact O-CB 3.38Å; N39-D42 PolarHBondContact O-N 3.39Å; N39-V43 PolarHBondContact O-N 3.38Å | ||
| 40 | R | 59.1 | Low | 55.4 | Low | 219 Ų | 219 | 132 Ų | 132 | 83% | 0.826 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -55.9 | -24.7 | 179.1 | -80.6 | -169 | -175.3 | -172.9 | 2.9 | 111.6 | I38 V43 M44 | I38-R40 PolarHBondContact O-N 3.36Å; R40-V43 PolarHBondContact O-N 2.81Å; R40-M44 PolarHBondContact O-N 3.01Å |
| 41 | R | 57.1 | Low | 56.3 | Low | 201 Ų | 201 | 134.6 Ų | 134.6 | 76% | 0.758 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68 | -43 | 174.9 | -61.7 | 178.6 | -175.1 | 156.7 | 2.3 | 112 | N39 V43 M44 E45 | N39-R41 PolarHBondContact O-N 2.96Å; N39-R41 WeakPolarHBondContact OD1-CB 3.48Å; N39-R41 PolarHBondContact OD1-N 3.34Å; R41-V43 VanDerWaalsContact C-N 3.27Å; R41-V43 PolarHBondContact O-N 3.38Å; R41-M44 PolarHBondContact O-N 2.98Å; R41-E45 WeakPolarHBondContact O-CB 3.34Å; R41-E45 PolarHBondContact O-N 3.27Å |
| 42 | D | 57.2 | Low | 57.2 | Low | 69 Ų | 69 | 128 Ų | 128 | 37% | 0.369 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.8 | -34.6 | 174.6 | -85.7 | 37.4 | 0 | 0 | 0 | 112.1 | N39 K46 | N39-D42 HydrophobicContact CB-CB 4.14Å; N39-D42 PolarHBondContact ND2-OD1 3.14Å; N39-D42 WeakPolarHBondContact O-CB 3.38Å; N39-D42 PolarHBondContact O-N 3.39Å; D42-K46 WeakPolarHBondContact O-CB 3.17Å; D42-K46 VanDerWaalsContact O-CG 3.26Å; D42-K46 WeakPolarHBondContact O-CG 3.28Å; D42-K46 PolarHBondContact O-N 3.48Å; D42-K46 VanDerWaalsContact O-N 3.14Å |
| 43 | V | 57.9 | Low | 58.1 | Low | 76 Ų | 76 | 127.8 Ų | 127.8 | 46% | 0.461 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -76.1 | -38.5 | -179.7 | -180 | 0 | 0 | 0 | 0 | 111.5 | I38 N39 R40 R41 K47 | I38-V43 HydrophobicContact CG2-CG2 3.37Å; N39-V43 PolarHBondContact O-N 3.38Å; R40-V43 PolarHBondContact O-N 2.81Å; R41-V43 VanDerWaalsContact C-N 3.27Å; R41-V43 PolarHBondContact O-N 3.38Å; V43-K47 VanDerWaalsContact O-CB 3.28Å; V43-K47 WeakPolarHBondContact O-CB 3.34Å; V43-K47 PolarHBondContact O-N 3.5Å |
| 44 | M | 55.2 | Low | 58.8 | Low | 122 Ų | 122 | 125.1 Ų | 125.1 | 60% | 0.601 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -68.9 | -47.8 | 172.2 | -90.2 | 174.2 | 51.3 | 0 | 0 | 111.5 | R40 R41 K46 K47 D48 | R40-M44 PolarHBondContact O-N 3.01Å; R41-M44 PolarHBondContact O-N 2.98Å; M44-K46 PolarHBondContact O-N 2.95Å; M44-K47 PolarHBondContact O-N 2.9Å; M44-K47 VanDerWaalsContact O-N 3.13Å; M44-D48 WeakPolarHBondContact O-CB 3.26Å; M44-D48 PolarHBondContact O-N 3.13Å |
| 45 | E | 56.1 | Low | 59.3 | Low | 134 Ų | 134 | 123 Ų | 123 | 63% | 0.626 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -59.2 | -45.1 | -178.7 | -177.8 | 179.3 | -159.6 | 0 | 0 | 112.2 | R41 K47 A49 | R41-E45 WeakPolarHBondContact O-CB 3.34Å; R41-E45 PolarHBondContact O-N 3.27Å; E45-K47 VanDerWaalsContact C-N 3.35Å; E45-K47 PolarHBondContact O-N 2.81Å; E45-A49 VanDerWaalsContact O-CB 3.27Å; E45-A49 WeakPolarHBondContact O-CB 3.36Å; E45-A49 PolarHBondContact O-N 3.48Å |
| 46 | K | 57.7 | Low | 59.9 | Low | 148 Ų | 148 | 121 Ų | 121 | 64% | 0.643 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.9 | -34.9 | 177.2 | -73.3 | 174.9 | -179.6 | 170.5 | 0 | 112.7 | D42 M44 W50 | D42-K46 WeakPolarHBondContact O-CB 3.17Å; D42-K46 VanDerWaalsContact O-CG 3.26Å; D42-K46 WeakPolarHBondContact O-CG 3.28Å; D42-K46 PolarHBondContact O-N 3.48Å; D42-K46 VanDerWaalsContact O-N 3.14Å; M44-K46 PolarHBondContact O-N 2.95Å; K46-W50 PolarHBondContact O-N 3.43Å |
| 47 | K | 56.9 | Low | 60.5 | Low | 149 Ų | 149 | 119.2 Ų | 119.2 | 65% | 0.648 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -76.3 | -38.2 | -179.3 | -164.4 | 146.1 | 84.2 | 152.3 | 0 | 111.7 | V43 M44 E45 W50 D51 | V43-K47 VanDerWaalsContact O-CB 3.28Å; V43-K47 WeakPolarHBondContact O-CB 3.34Å; V43-K47 PolarHBondContact O-N 3.5Å; M44-K47 PolarHBondContact O-N 2.9Å; M44-K47 VanDerWaalsContact O-N 3.13Å; E45-K47 VanDerWaalsContact C-N 3.35Å; E45-K47 PolarHBondContact O-N 2.81Å; K47-W50 PolarHBondContact O-N 3.35Å; K47-D51 WeakPolarHBondContact O-CB 3.27Å; K47-D51 PolarHBondContact O-N 3.18Å |
| 48 | D | 55.4 | Low | 60.8 | Low | 86 Ų | 86 | 115.7 Ų | 115.7 | 46% | 0.46 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.1 | -38.1 | 174.4 | -64.9 | -22.8 | 0 | 0 | 0 | 110.9 | M44 D51 V52 | M44-D48 WeakPolarHBondContact O-CB 3.26Å; M44-D48 PolarHBondContact O-N 3.13Å; D48-D51 PolarHBondContact O-N 3.43Å; D48-V52 WeakPolarHBondContact O-CB 3.17Å; D48-V52 WeakPolarHBondContact O-CG2 3.09Å; D48-V52 PolarHBondContact O-N 2.87Å |
| 49 | A | 60.1 | Low | 60.8 | Low | 58 Ų | 58 | 114.2 Ų | 114.2 | 48% | 0.479 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | E45 Q53 | E45-A49 VanDerWaalsContact O-CB 3.27Å; E45-A49 WeakPolarHBondContact O-CB 3.36Å; E45-A49 PolarHBondContact O-N 3.48Å; A49-Q53 WeakPolarHBondContact O-CB 3.37Å; A49-Q53 PolarHBondContact O-N 3Å |
| 50 | W | 62.5 | Low | 60.7 | Low | 169 Ų | 169 | 117.1 Ų | 117.1 | 64% | 0.64 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.2 | -45.2 | 176.4 | -176.6 | -89.1 | 0 | 0 | 0 | 112 | K46 K47 Q53 E54 | K46-W50 PolarHBondContact O-N 3.43Å; K47-W50 PolarHBondContact O-N 3.35Å; W50-Q53 PolarHBondContact O-N 2.88Å; W50-E54 PolarHBondContact NE1-OE2 3.44Å; W50-E54 WeakPolarHBondContact O-CB 3.18Å; W50-E54 PolarHBondContact O-N 3.48Å |
| 51 | D | 62.9 | Low | 61 | Low | 108 Ų | 108 | 111.1 Ų | 111.1 | 58% | 0.578 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.9 | -37 | -177.5 | -149.2 | 23.7 | 0 | 0 | 0 | 111.7 | K47 D48 E54 F55 | K47-D51 WeakPolarHBondContact O-CB 3.27Å; K47-D51 PolarHBondContact O-N 3.18Å; D48-D51 PolarHBondContact O-N 3.43Å; D51-E54 PolarHBondContact O-N 3.3Å; D51-F55 WeakPolarHBondContact O-CB 3.2Å; D51-F55 PolarHBondContact O-N 3Å |
| 52 | V | 64.3 | Low | 61.3 | Low | 81 Ų | 81 | 108.6 Ų | 108.6 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66 | -41.6 | 171.6 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | D48 F55 I56 | D48-V52 WeakPolarHBondContact O-CB 3.17Å; D48-V52 WeakPolarHBondContact O-CG2 3.09Å; D48-V52 PolarHBondContact O-N 2.87Å; V52-F55 PolarHBondContact O-N 2.89Å; V52-I56 HydrophobicContact CG1-CD1 3.47Å; V52-I56 VanDerWaalsContact CG1-CD1 3.47Å; V52-I56 HydrophobicContact CG1-CG1 4.12Å; V52-I56 VanDerWaalsContact O-CB 3.23Å; V52-I56 WeakPolarHBondContact O-CB 3.09Å; V52-I56 WeakPolarHBondContact O-CG1 3.22Å; V52-I56 PolarHBondContact O-N 2.9Å |
| 53 | Q | 66.8 | Low | 61.4 | Low | 123 Ų | 123 | 110.6 Ų | 110.6 | 58% | 0.575 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.1 | -41.3 | 177.3 | -176.7 | 168.9 | -18.9 | 0 | 0 | 111.7 | A49 W50 T57 | A49-Q53 WeakPolarHBondContact O-CB 3.37Å; A49-Q53 PolarHBondContact O-N 3Å; W50-Q53 PolarHBondContact O-N 2.88Å; Q53-T57 VanDerWaalsContact O-CB 3.22Å; Q53-T57 WeakPolarHBondContact O-CB 3.16Å; Q53-T57 PolarHBondContact O-N 2.62Å; Q53-T57 PolarHBondContact O-OG1 2.86Å |
| 54 | E | 66.2 | Low | 61.7 | Low | 95 Ų | 95 | 108.8 Ų | 108.8 | 44% | 0.444 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.3 | -40.4 | 178.2 | -168.7 | 151.2 | -165.3 | 0 | 0 | 111.5 | W50 D51 T57 Q58 | W50-E54 PolarHBondContact NE1-OE2 3.44Å; W50-E54 WeakPolarHBondContact O-CB 3.18Å; W50-E54 PolarHBondContact O-N 3.48Å; D51-E54 PolarHBondContact O-N 3.3Å; E54-T57 PolarHBondContact O-N 3.47Å; E54-Q58 WeakPolarHBondContact O-CB 3.11Å; E54-Q58 WeakPolarHBondContact O-CG 3.23Å; E54-Q58 PolarHBondContact O-N 3.5Å |
| 55 | F | 60.5 | Low | 61.9 | Low | 133 Ų | 133 | 107.9 Ų | 107.9 | 58% | 0.583 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.6 | -44.2 | 174.2 | -171.8 | -103.5 | 0 | 0 | 0 | 112.9 | D51 V52 M59 | D51-F55 WeakPolarHBondContact O-CB 3.2Å; D51-F55 PolarHBondContact O-N 3Å; V52-F55 PolarHBondContact O-N 2.89Å; F55-M59 HydrophobicContact CD1-CE 3.91Å; F55-M59 HydrophobicContact CE1-CE 3.26Å; F55-M59 HydrophobicContact CE1-SD 4.05Å; F55-M59 HydrophobicContact CZ-CE 3.85Å; F55-M59 HydrophobicContact CZ-SD 4.02Å; F55-M59 WeakPolarHBondContact O-CB 3.22Å; F55-M59 PolarHBondContact O-N 3.22Å |
| 56 | I | 63.8 | Low | 62.4 | Low | 95 Ų | 95 | 111.9 Ų | 111.9 | 49% | 0.487 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 174.2 | -71.5 | 170.7 | 0 | 0 | 0 | 109.3 | V52 M59 Y60 | V52-I56 HydrophobicContact CG1-CD1 3.47Å; V52-I56 VanDerWaalsContact CG1-CD1 3.47Å; V52-I56 HydrophobicContact CG1-CG1 4.12Å; V52-I56 VanDerWaalsContact O-CB 3.23Å; V52-I56 WeakPolarHBondContact O-CB 3.09Å; V52-I56 WeakPolarHBondContact O-CG1 3.22Å; V52-I56 PolarHBondContact O-N 2.9Å; I56-M59 PolarHBondContact O-N 2.8Å; I56-Y60 WeakPolarHBondContact O-CA 3.43Å; I56-Y60 WeakPolarHBondContact O-CB 3.41Å; I56-Y60 PolarHBondContact O-N 3.48Å |
| 57 | T | 67.1 | Low | 63.1 | Low | 69 Ų | 69 | 110.5 Ų | 110.5 | 42% | 0.423 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.9 | -45.5 | -177.3 | -54 | 0 | 0 | 0 | 0 | 111.2 | Q53 E54 M59 Y60 I61 | Q53-T57 VanDerWaalsContact O-CB 3.22Å; Q53-T57 WeakPolarHBondContact O-CB 3.16Å; Q53-T57 PolarHBondContact O-N 2.62Å; Q53-T57 PolarHBondContact O-OG1 2.86Å; E54-T57 PolarHBondContact O-N 3.47Å; T57-M59 PolarHBondContact O-N 2.9Å; T57-Y60 PolarHBondContact O-N 2.73Å; T57-I61 HydrophobicContact CG2-CD1 3.84Å; T57-I61 HydrophobicContact CG2-CG1 4.49Å; T57-I61 WeakPolarHBondContact O-CB 3.41Å; T57-I61 WeakPolarHBondContact O-CD1 3.34Å; T57-I61 WeakPolarHBondContact O-CG1 3.34Å; T57-I61 PolarHBondContact O-N 2.93Å |
| 58 | Q | 65.9 | Low | 63.8 | Low | 105 Ų | 105 | 107.3 Ų | 107.3 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 176.2 | -74.7 | -92.8 | -19.7 | 0 | 0 | 112.3 | E54 K62 | E54-Q58 WeakPolarHBondContact O-CB 3.11Å; E54-Q58 WeakPolarHBondContact O-CG 3.23Å; E54-Q58 PolarHBondContact O-N 3.5Å; Q58-K62 WeakPolarHBondContact O-CG 2.95Å; Q58-K62 PolarHBondContact O-N 3.4Å |
| 59 | M | 60 | Low | 64.9 | Low | 80 Ų | 80 | 106 Ų | 106 | 39% | 0.394 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -76 | -36.5 | -179.2 | -167.5 | 150.9 | 64.3 | 0 | 0 | 111.9 | F55 I56 T57 K62 Q63 | F55-M59 HydrophobicContact CD1-CE 3.91Å; F55-M59 HydrophobicContact CE1-CE 3.26Å; F55-M59 HydrophobicContact CE1-SD 4.05Å; F55-M59 HydrophobicContact CZ-CE 3.85Å; F55-M59 HydrophobicContact CZ-SD 4.02Å; F55-M59 WeakPolarHBondContact O-CB 3.22Å; F55-M59 PolarHBondContact O-N 3.22Å; I56-M59 PolarHBondContact O-N 2.8Å; T57-M59 PolarHBondContact O-N 2.9Å; M59-K62 PolarHBondContact O-N 2.87Å; M59-Q63 WeakPolarHBondContact O-CB 3.36Å; M59-Q63 WeakPolarHBondContact O-CG 3.15Å; M59-Q63 PolarHBondContact O-N 2.94Å |
| 60 | Y | 62.6 | Low | 65.7 | Low | 140 Ų | 140 | 106.6 Ų | 106.6 | 55% | 0.549 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68 | -42 | 177.4 | -168.4 | -105.1 | 0 | 0 | 0 | 111.1 | I56 T57 K62 Q63 L64 | I56-Y60 WeakPolarHBondContact O-CA 3.43Å; I56-Y60 WeakPolarHBondContact O-CB 3.41Å; I56-Y60 PolarHBondContact O-N 3.48Å; T57-Y60 PolarHBondContact O-N 2.73Å; Y60-K62 VanDerWaalsContact C-N 3.34Å; Y60-K62 PolarHBondContact O-N 3.2Å; Y60-Q63 PolarHBondContact O-N 3.44Å; Y60-L64 HydrophobicContact CD1-CD1 3.64Å; Y60-L64 HydrophobicContact CD1-CD2 3.72Å; Y60-L64 HydrophobicContact CD1-CG 4.23Å; Y60-L64 HydrophobicContact CD2-CD1 3.82Å; Y60-L64 HydrophobicContact CE1-CD1 3.28Å; Y60-L64 HydrophobicContact CE1-CD2 3.29Å; Y60-L64 HydrophobicContact CE1-CG 3.9Å; Y60-L64 HydrophobicContact CE2-CD1 3.47Å; Y60-L64 VanDerWaalsContact CE2-CD1 3.47Å; Y60-L64 HydrophobicContact CG-CD1 3.9Å; Y60-L64 VanDerWaalsContact O-CB 3.23Å; Y60-L64 WeakPolarHBondContact O-CB 3.23Å; Y60-L64 PolarHBondContact O-N 3.39Å |
| 61 | I | 64.6 | Low | 66.5 | Low | 93 Ų | 93 | 104.1 Ų | 104.1 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60 | -45.8 | 173.5 | -68.2 | 163.5 | 0 | 0 | 0 | 110.4 | T57 Q63 L64 L65 | T57-I61 HydrophobicContact CG2-CD1 3.84Å; T57-I61 HydrophobicContact CG2-CG1 4.49Å; T57-I61 WeakPolarHBondContact O-CB 3.41Å; T57-I61 WeakPolarHBondContact O-CD1 3.34Å; T57-I61 WeakPolarHBondContact O-CG1 3.34Å; T57-I61 PolarHBondContact O-N 2.93Å; I61-Q63 VanDerWaalsContact C-N 3.31Å; I61-Q63 PolarHBondContact O-N 3.37Å; I61-L64 PolarHBondContact O-N 3.48Å; I61-L65 HydrophobicContact CG2-CD1 3.99Å; I61-L65 WeakPolarHBondContact O-CD1 3.09Å; I61-L65 PolarHBondContact O-N 3.39Å |
| 62 | K | 64.1 | Low | 67.4 | Low | 148 Ų | 148 | 104.9 Ų | 104.9 | 64% | 0.643 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.2 | -34.1 | 178.4 | -72.3 | 175.5 | -177.6 | 172.4 | 0 | 112.8 | Q58 M59 Y60 | Q58-K62 WeakPolarHBondContact O-CG 2.95Å; Q58-K62 PolarHBondContact O-N 3.4Å; M59-K62 PolarHBondContact O-N 2.87Å; Y60-K62 VanDerWaalsContact C-N 3.34Å; Y60-K62 PolarHBondContact O-N 3.2Å |
| 63 | Q | 59.8 | Low | 68.4 | Low | 110 Ų | 110 | 106.7 Ų | 106.7 | 51% | 0.514 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -84.6 | -31.8 | 178.3 | -71.8 | -179.4 | 12.6 | 0 | 0 | 113.3 | M59 Y60 I61 R66 H67 | M59-Q63 WeakPolarHBondContact O-CB 3.36Å; M59-Q63 WeakPolarHBondContact O-CG 3.15Å; M59-Q63 PolarHBondContact O-N 2.94Å; Y60-Q63 PolarHBondContact O-N 3.44Å; I61-Q63 VanDerWaalsContact C-N 3.31Å; I61-Q63 PolarHBondContact O-N 3.37Å; Q63-R66 PolarHBondContact O-N 3.45Å; Q63-R66 VanDerWaalsContact O-N 3.15Å; Q63-H67 PolarHBondContact O-N 3.34Å |
| 64 | L | 62.5 | Low | 69.3 | Low | 38 Ų | 38 | 104.9 Ų | 104.9 | 20% | 0.199 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -63.5 | -45 | 175.7 | -112.9 | 57.3 | 0 | 0 | 0 | 111.1 | Y60 I61 R66 H67 F70 | Y60-L64 HydrophobicContact CD1-CD1 3.64Å; Y60-L64 HydrophobicContact CD1-CD2 3.72Å; Y60-L64 HydrophobicContact CD1-CG 4.23Å; Y60-L64 HydrophobicContact CD2-CD1 3.82Å; Y60-L64 HydrophobicContact CE1-CD1 3.28Å; Y60-L64 HydrophobicContact CE1-CD2 3.29Å; Y60-L64 HydrophobicContact CE1-CG 3.9Å; Y60-L64 HydrophobicContact CE2-CD1 3.47Å; Y60-L64 VanDerWaalsContact CE2-CD1 3.47Å; Y60-L64 HydrophobicContact CG-CD1 3.9Å; Y60-L64 VanDerWaalsContact O-CB 3.23Å; Y60-L64 WeakPolarHBondContact O-CB 3.23Å; Y60-L64 PolarHBondContact O-N 3.39Å; I61-L64 PolarHBondContact O-N 3.48Å; L64-R66 PolarHBondContact O-N 2.71Å; L64-R66 VanDerWaalsContact O-N 3.13Å; L64-H67 PolarHBondContact O-N 3.24Å; L64-F70 HydrophobicContact CB-CD1 4.31Å; L64-F70 HydrophobicContact CB-CD2 4.3Å; L64-F70 HydrophobicContact CB-CG 4.12Å; L64-F70 HydrophobicContact CD2-CD2 3.8Å; L64-F70 HydrophobicContact CD2-CE2 3.82Å; L64-F70 HydrophobicContact CD2-CG 4.45Å; L64-F70 HydrophobicContact CD2-CZ 4.49Å; L64-F70 HydrophobicContact CG-CB 4.45Å; L64-F70 HydrophobicContact CG-CD2 3.94Å; L64-F70 HydrophobicContact CG-CE2 4.41Å; L64-F70 HydrophobicContact CG-CG 4.16Å; L64-F70 WeakPolarHBondContact O-CB 3.3Å |
| 65 | L | 60.2 | Low | 70.2 | Confident | 103 Ų | 103 | 102.8 Ų | 102.8 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17.5 | 177.3 | -86.9 | 81.4 | 0 | 0 | 0 | 113.2 | I61 F70 | I61-L65 HydrophobicContact CG2-CD1 3.99Å; I61-L65 WeakPolarHBondContact O-CD1 3.09Å; I61-L65 PolarHBondContact O-N 3.39Å; L65-F70 HydrophobicContact CD1-CD1 4.45Å; L65-F70 HydrophobicContact CD1-CE1 3.95Å; L65-F70 HydrophobicContact CG-CD1 4.5Å; L65-F70 HydrophobicContact CG-CE1 4.29Å |
| 66 | R | 67.3 | Low | 71.6 | Confident | 219 Ų | 219 | 103.6 Ų | 103.6 | 83% | 0.826 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -9.6 | 177.3 | -172.8 | 155.5 | 151.9 | 159.2 | -9.4 | 113 | Q63 L64 | Q63-R66 PolarHBondContact O-N 3.45Å; Q63-R66 VanDerWaalsContact O-N 3.15Å; L64-R66 PolarHBondContact O-N 2.71Å; L64-R66 VanDerWaalsContact O-N 3.13Å |
| 67 | H | 72.3 | Confident | 72.8 | Confident | 118 Ų | 118 | 104.7 Ų | 104.7 | 55% | 0.546 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -90.3 | 127.1 | 174.7 | -98.9 | -74.9 | 0 | 0 | 0 | 111.5 | Q63 L64 A69 F70 Q71 | Q63-H67 PolarHBondContact O-N 3.34Å; L64-H67 PolarHBondContact O-N 3.24Å; H67-A69 PolarHBondContact O-N 2.7Å; H67-A69 VanDerWaalsContact O-N 3.14Å; H67-F70 PolarHBondContact O-N 3.01Å; H67-F70 VanDerWaalsContact O-N 3.08Å; H67-Q71 PolarHBondContact O-N 2.81Å |
| 68 | P | 71.8 | Confident | 73.8 | Confident | 83 Ų | 83 | 106.6 Ų | 106.6 | 54% | 0.539 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.5 | -26.8 | -179.2 | 23.7 | -33.3 | 0 | 0 | 0 | 112.7 | F70 Q71 L72 | P68-F70 PolarHBondContact O-N 2.99Å; P68-Q71 PolarHBondContact O-N 3.25Å; P68-L72 VanDerWaalsContact O-CG 3.31Å; P68-L72 WeakPolarHBondContact O-CG 3.43Å; P68-L72 PolarHBondContact O-N 2.91Å |
| 69 | A | 78.2 | Confident | 75 | Confident | 58 Ų | 58 | 106.4 Ų | 106.4 | 48% | 0.479 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | H67 L72 L73 | H67-A69 PolarHBondContact O-N 2.7Å; H67-A69 VanDerWaalsContact O-N 3.14Å; A69-L72 PolarHBondContact O-N 3.5Å; A69-L73 WeakPolarHBondContact O-CD1 3.27Å; A69-L73 PolarHBondContact O-N 3.36Å |
| 70 | F | 77.4 | Confident | 76.5 | Confident | 70 Ų | 70 | 104.8 Ų | 104.8 | 31% | 0.307 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72.4 | -35.5 | 177.7 | -173 | -104.1 | 0 | 0 | 0 | 111.6 | L64 L65 H67 P68 L72 L73 L74 | L64-F70 HydrophobicContact CB-CD1 4.31Å; L64-F70 HydrophobicContact CB-CD2 4.3Å; L64-F70 HydrophobicContact CB-CG 4.12Å; L64-F70 HydrophobicContact CD2-CD2 3.8Å; L64-F70 HydrophobicContact CD2-CE2 3.82Å; L64-F70 HydrophobicContact CD2-CG 4.45Å; L64-F70 HydrophobicContact CD2-CZ 4.49Å; L64-F70 HydrophobicContact CG-CB 4.45Å; L64-F70 HydrophobicContact CG-CD2 3.94Å; L64-F70 HydrophobicContact CG-CE2 4.41Å; L64-F70 HydrophobicContact CG-CG 4.16Å; L64-F70 WeakPolarHBondContact O-CB 3.3Å; L65-F70 HydrophobicContact CD1-CD1 4.45Å; L65-F70 HydrophobicContact CD1-CE1 3.95Å; L65-F70 HydrophobicContact CG-CD1 4.5Å; L65-F70 HydrophobicContact CG-CE1 4.29Å; H67-F70 PolarHBondContact O-N 3.01Å; H67-F70 VanDerWaalsContact O-N 3.08Å; P68-F70 PolarHBondContact O-N 2.99Å; F70-L72 VanDerWaalsContact C-N 3.32Å; F70-L73 PolarHBondContact O-N 3.37Å; F70-L74 VanDerWaalsContact O-CB 3.31Å; F70-L74 WeakPolarHBondContact O-CB 3.39Å; F70-L74 PolarHBondContact O-N 2.87Å |
| 71 | Q | 78.6 | Confident | 77.7 | Confident | 117 Ų | 117 | 102.7 Ų | 102.7 | 55% | 0.547 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 171.9 | -65.8 | -178.7 | -22.8 | 0 | 0 | 111.5 | H67 P68 L74 A75 | H67-Q71 PolarHBondContact O-N 2.81Å; P68-Q71 PolarHBondContact O-N 3.25Å; Q71-L74 PolarHBondContact O-N 3.4Å; Q71-A75 WeakPolarHBondContact O-CB 3.35Å; Q71-A75 PolarHBondContact O-N 3.48Å |
| 72 | L | 81.5 | Confident | 78.9 | Confident | 125 Ų | 125 | 100.9 Ų | 100.9 | 65% | 0.654 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.2 | -43.2 | 174.2 | -71.2 | 171.1 | 0 | 0 | 0 | 112 | P68 A69 F70 A75 F76 | P68-L72 VanDerWaalsContact O-CG 3.31Å; P68-L72 WeakPolarHBondContact O-CG 3.43Å; P68-L72 PolarHBondContact O-N 2.91Å; A69-L72 PolarHBondContact O-N 3.5Å; F70-L72 VanDerWaalsContact C-N 3.32Å; L72-A75 PolarHBondContact O-N 3.35Å; L72-F76 VanDerWaalsContact O-CB 3.27Å; L72-F76 WeakPolarHBondContact O-CB 3.44Å; L72-F76 PolarHBondContact O-N 2.84Å |
| 73 | L | 85.7 | Confident | 80 | Confident | 119 Ų | 119 | 97.7 Ų | 97.7 | 62% | 0.623 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59 | -48 | 173.4 | -86.1 | 151.9 | 0 | 0 | 0 | 111.5 | A69 F70 F76 L77 | A69-L73 WeakPolarHBondContact O-CD1 3.27Å; A69-L73 PolarHBondContact O-N 3.36Å; F70-L73 PolarHBondContact O-N 3.37Å; L73-F76 PolarHBondContact O-N 2.95Å; L73-L77 WeakPolarHBondContact O-CB 3.49Å; L73-L77 PolarHBondContact O-N 3.08Å |
| 74 | L | 84.5 | Confident | 81.2 | Confident | 84 Ų | 84 | 96.8 Ų | 96.8 | 44% | 0.44 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 177.9 | -175.4 | 65.4 | 0 | 0 | 0 | 111.6 | F70 Q71 F76 L77 L78 | F70-L74 VanDerWaalsContact O-CB 3.31Å; F70-L74 WeakPolarHBondContact O-CB 3.39Å; F70-L74 PolarHBondContact O-N 2.87Å; Q71-L74 PolarHBondContact O-N 3.4Å; L74-F76 VanDerWaalsContact C-N 3.32Å; L74-F76 PolarHBondContact O-N 3.41Å; L74-L77 WeakPolarHBondContact O-CB 3.47Å; L74-L77 PolarHBondContact O-N 3.45Å; L74-L78 HydrophobicContact CG-CD1 4.21Å; L74-L78 WeakPolarHBondContact O-CB 3.25Å; L74-L78 WeakPolarHBondContact O-CG 3.31Å; L74-L78 PolarHBondContact O-N 3.14Å |
| 75 | A | 86.4 | Confident | 82.2 | Confident | 52 Ų | 52 | 99.6 Ų | 99.6 | 43% | 0.43 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q71 L72 L78 L79 | Q71-A75 WeakPolarHBondContact O-CB 3.35Å; Q71-A75 PolarHBondContact O-N 3.48Å; L72-A75 PolarHBondContact O-N 3.35Å; A75-L78 PolarHBondContact O-N 3.05Å; A75-L79 WeakPolarHBondContact O-CB 3.14Å; A75-L79 PolarHBondContact O-N 3.13Å |
| 76 | F | 90.3 | Very high | 83.2 | Confident | 149 Ų | 149 | 97.2 Ų | 97.2 | 65% | 0.654 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.5 | -40.2 | 175.2 | -170.8 | -95.7 | 0 | 0 | 0 | 111.8 | L72 L73 L74 L79 S80 | L72-F76 VanDerWaalsContact O-CB 3.27Å; L72-F76 WeakPolarHBondContact O-CB 3.44Å; L72-F76 PolarHBondContact O-N 2.84Å; L73-F76 PolarHBondContact O-N 2.95Å; L74-F76 VanDerWaalsContact C-N 3.32Å; L74-F76 PolarHBondContact O-N 3.41Å; F76-L79 PolarHBondContact O-N 3.31Å; F76-S80 WeakPolarHBondContact O-CB 3.44Å; F76-S80 PolarHBondContact O-N 3.15Å; F76-S80 PolarHBondContact O-OG 2.68Å |
| 77 | L | 88.4 | Confident | 83.6 | Confident | 119 Ų | 119 | 91.7 Ų | 91.7 | 62% | 0.623 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.1 | -44 | 175.4 | -153.5 | 91.8 | 0 | 0 | 0 | 111.4 | L73 L74 S80 N81 | L73-L77 WeakPolarHBondContact O-CB 3.49Å; L73-L77 PolarHBondContact O-N 3.08Å; L74-L77 WeakPolarHBondContact O-CB 3.47Å; L74-L77 PolarHBondContact O-N 3.45Å; L77-S80 PolarHBondContact O-OG 3.14Å; L77-N81 VanDerWaalsContact O-CB 3.25Å; L77-N81 WeakPolarHBondContact O-CB 3.29Å; L77-N81 PolarHBondContact O-N 3.37Å |
| 78 | L | 88.5 | Confident | 83.4 | Confident | 108 Ų | 108 | 95.4 Ų | 95.4 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.7 | -42.2 | 176.5 | -73 | 170 | 0 | 0 | 0 | 111.9 | L74 A75 N81 A82 | L74-L78 HydrophobicContact CG-CD1 4.21Å; L74-L78 WeakPolarHBondContact O-CB 3.25Å; L74-L78 WeakPolarHBondContact O-CG 3.31Å; L74-L78 PolarHBondContact O-N 3.14Å; A75-L78 PolarHBondContact O-N 3.05Å; L78-N81 PolarHBondContact O-N 3.19Å; L78-A82 VanDerWaalsContact O-CB 3.3Å; L78-A82 WeakPolarHBondContact O-CB 3.44Å; L78-A82 PolarHBondContact O-N 2.82Å |
| 79 | L | 90.8 | Very high | 82.9 | Confident | 102 Ų | 102 | 95 Ų | 95 | 53% | 0.534 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 179 | -179.5 | 62.1 | 0 | 0 | 0 | 111.2 | A75 F76 N81 A82 I83 | A75-L79 WeakPolarHBondContact O-CB 3.14Å; A75-L79 PolarHBondContact O-N 3.13Å; F76-L79 PolarHBondContact O-N 3.31Å; L79-N81 VanDerWaalsContact C-N 3.35Å; L79-N81 PolarHBondContact O-N 3.13Å; L79-A82 PolarHBondContact O-N 3.21Å; L79-I83 HydrophobicContact CD1-CD1 4Å; L79-I83 HydrophobicContact CD1-CG1 4.32Å; L79-I83 HydrophobicContact CG-CD1 3.84Å; L79-I83 WeakPolarHBondContact O-CB 3.49Å; L79-I83 WeakPolarHBondContact O-CG1 3.31Å; L79-I83 PolarHBondContact O-N 3.07Å |
| 80 | S | 91.3 | Very high | 81.9 | Confident | 46 Ų | 46 | 97 Ų | 97 | 32% | 0.322 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.8 | -37.7 | 175.6 | 56.3 | 0 | 0 | 0 | 0 | 112.2 | F76 L77 T84 | F76-S80 WeakPolarHBondContact O-CB 3.44Å; F76-S80 PolarHBondContact O-N 3.15Å; F76-S80 PolarHBondContact O-OG 2.68Å; L77-S80 PolarHBondContact O-OG 3.14Å; S80-T84 VanDerWaalsContact O-CB 3.3Å; S80-T84 WeakPolarHBondContact O-CB 3.26Å; S80-T84 PolarHBondContact O-N 2.76Å; S80-T84 PolarHBondContact O-OG1 2.72Å |
| 81 | N | 88.4 | Confident | 80.8 | Confident | 96 Ų | 96 | 97.2 Ų | 97.2 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.6 | -46.4 | 173.4 | -173.5 | -73.7 | 0 | 0 | 0 | 111.8 | L77 L78 L79 T84 I85 | L77-N81 VanDerWaalsContact O-CB 3.25Å; L77-N81 WeakPolarHBondContact O-CB 3.29Å; L77-N81 PolarHBondContact O-N 3.37Å; L78-N81 PolarHBondContact O-N 3.19Å; L79-N81 VanDerWaalsContact C-N 3.35Å; L79-N81 PolarHBondContact O-N 3.13Å; N81-T84 PolarHBondContact O-N 3.43Å; N81-I85 WeakPolarHBondContact O-CG1 3.25Å; N81-I85 PolarHBondContact O-N 3.48Å; N81-I85 VanDerWaalsContact OD1-CD1 3.27Å; N81-I85 WeakPolarHBondContact OD1-CD1 3.38Å |
| 82 | A | 88.3 | Confident | 79.4 | Confident | 54 Ų | 54 | 99.3 Ų | 99.3 | 45% | 0.446 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L78 L79 T84 I85 A86 | L78-A82 VanDerWaalsContact O-CB 3.3Å; L78-A82 WeakPolarHBondContact O-CB 3.44Å; L78-A82 PolarHBondContact O-N 2.82Å; L79-A82 PolarHBondContact O-N 3.21Å; A82-T84 VanDerWaalsContact C-N 3.35Å; A82-I85 PolarHBondContact O-N 3.4Å; A82-A86 WeakPolarHBondContact O-CB 3.25Å; A82-A86 PolarHBondContact O-N 3.23Å |
| 83 | I | 87.8 | Confident | 78 | Confident | 81 Ų | 81 | 99 Ų | 99 | 42% | 0.415 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 173.8 | -69.7 | 166 | 0 | 0 | 0 | 110.4 | L79 I85 A86 L87 | L79-I83 HydrophobicContact CD1-CD1 4Å; L79-I83 HydrophobicContact CD1-CG1 4.32Å; L79-I83 HydrophobicContact CG-CD1 3.84Å; L79-I83 WeakPolarHBondContact O-CB 3.49Å; L79-I83 WeakPolarHBondContact O-CG1 3.31Å; L79-I83 PolarHBondContact O-N 3.07Å; I83-I85 PolarHBondContact O-N 2.91Å; I83-A86 CarbonylContact O-C 3.59Å; I83-A86 PolarHBondContact O-N 2.93Å; I83-L87 HydrophobicContact CG2-CD1 3.65Å; I83-L87 HydrophobicContact CG2-CG 4.01Å; I83-L87 VanDerWaalsContact O-CB 3.26Å; I83-L87 WeakPolarHBondContact O-CB 3.35Å; I83-L87 VanDerWaalsContact O-CG 3.25Å; I83-L87 WeakPolarHBondContact O-CG 3.19Å; I83-L87 PolarHBondContact O-N 3.28Å |
| 84 | T | 86 | Confident | 76.3 | Confident | 92 Ų | 92 | 95.8 Ų | 95.8 | 56% | 0.564 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.5 | -44.4 | 178.3 | -59.9 | 0 | 0 | 0 | 0 | 111.1 | S80 N81 A82 R88 | S80-T84 VanDerWaalsContact O-CB 3.3Å; S80-T84 WeakPolarHBondContact O-CB 3.26Å; S80-T84 PolarHBondContact O-N 2.76Å; S80-T84 PolarHBondContact O-OG1 2.72Å; N81-T84 PolarHBondContact O-N 3.43Å; A82-T84 VanDerWaalsContact C-N 3.35Å; T84-R88 VanDerWaalsContact O-CB 3.25Å; T84-R88 WeakPolarHBondContact O-CB 3.27Å; T84-R88 PolarHBondContact O-N 3.35Å |
| 85 | I | 83 | Confident | 74.7 | Confident | 97 Ų | 97 | 98.8 Ų | 98.8 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.1 | -47.8 | 174.5 | -67.2 | 170.6 | 0 | 0 | 0 | 110 | N81 A82 I83 L87 R88 T89 | N81-I85 WeakPolarHBondContact O-CG1 3.25Å; N81-I85 PolarHBondContact O-N 3.48Å; N81-I85 VanDerWaalsContact OD1-CD1 3.27Å; N81-I85 WeakPolarHBondContact OD1-CD1 3.38Å; A82-I85 PolarHBondContact O-N 3.4Å; I83-I85 PolarHBondContact O-N 2.91Å; I85-L87 VanDerWaalsContact C-N 3.34Å; I85-L87 PolarHBondContact O-N 2.83Å; I85-R88 CarbonylContact O-C 3.57Å; I85-R88 WeakPolarHBondContact O-CA 3.15Å; I85-R88 WeakPolarHBondContact O-CB 3.31Å; I85-R88 PolarHBondContact O-N 3.44Å; I85-T89 PolarHBondContact O-N 3.47Å; I85-T89 PolarHBondContact O-OG1 2.83Å |
| 86 | A | 80.4 | Confident | 73 | Confident | 53 Ų | 53 | 105.2 Ų | 105.2 | 44% | 0.438 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.8 | -37.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A82 I83 T89 N90 | A82-A86 WeakPolarHBondContact O-CB 3.25Å; A82-A86 PolarHBondContact O-N 3.23Å; I83-A86 CarbonylContact O-C 3.59Å; I83-A86 PolarHBondContact O-N 2.93Å; A86-T89 WeakPolarHBondContact CA-OG1 3.43Å; A86-T89 PolarHBondContact O-OG1 2.84Å; A86-N90 WeakPolarHBondContact O-CA 3.15Å; A86-N90 WeakPolarHBondContact O-CB 3.3Å; A86-N90 PolarHBondContact O-N 3.35Å |
| 87 | L | 75.4 | Confident | 71.2 | Confident | 103 Ų | 103 | 101 Ų | 101 | 54% | 0.539 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70.6 | -35.4 | 172.6 | -73.7 | 174.5 | 0 | 0 | 0 | 111.1 | I83 I85 S91 | I83-L87 HydrophobicContact CG2-CD1 3.65Å; I83-L87 HydrophobicContact CG2-CG 4.01Å; I83-L87 VanDerWaalsContact O-CB 3.26Å; I83-L87 WeakPolarHBondContact O-CB 3.35Å; I83-L87 VanDerWaalsContact O-CG 3.25Å; I83-L87 WeakPolarHBondContact O-CG 3.19Å; I83-L87 PolarHBondContact O-N 3.28Å; I85-L87 VanDerWaalsContact C-N 3.34Å; I85-L87 PolarHBondContact O-N 2.83Å; L87-S91 VanDerWaalsContact O-CB 3.29Å; L87-S91 WeakPolarHBondContact O-CB 3.13Å; L87-S91 PolarHBondContact O-N 2.88Å; L87-S91 PolarHBondContact O-OG 3.4Å |
| 88 | R | 69.6 | Low | 69 | Low | 195 Ų | 195 | 98.7 Ų | 98.7 | 74% | 0.736 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.4 | -39.4 | 176.4 | -165 | -178.9 | -167 | -171.6 | 4.1 | 111.9 | T84 I85 Y92 | T84-R88 VanDerWaalsContact O-CB 3.25Å; T84-R88 WeakPolarHBondContact O-CB 3.27Å; T84-R88 PolarHBondContact O-N 3.35Å; I85-R88 CarbonylContact O-C 3.57Å; I85-R88 WeakPolarHBondContact O-CA 3.15Å; I85-R88 WeakPolarHBondContact O-CB 3.31Å; I85-R88 PolarHBondContact O-N 3.44Å; R88-Y92 PolarHBondContact O-N 2.83Å |
| 89 | T | 60.8 | Low | 67 | Low | 76 Ų | 76 | 99.7 Ų | 99.7 | 47% | 0.466 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -77.5 | -31.9 | 172.6 | 38.6 | 0 | 0 | 0 | 0 | 112.7 | I85 A86 Y92 L93 | I85-T89 PolarHBondContact O-N 3.47Å; I85-T89 PolarHBondContact O-OG1 2.83Å; A86-T89 WeakPolarHBondContact CA-OG1 3.43Å; A86-T89 PolarHBondContact O-OG1 2.84Å; T89-Y92 CarbonylContact O-C 3.53Å; T89-Y92 WeakPolarHBondContact O-CA 3.23Å; T89-Y92 VanDerWaalsContact O-CB 3.31Å; T89-Y92 WeakPolarHBondContact O-CB 3.23Å; T89-Y92 PolarHBondContact O-N 2.78Å; T89-Y92 VanDerWaalsContact O-N 3.13Å; T89-L93 PolarHBondContact O-N 2.8Å |
| 90 | N | 56.2 | Low | 65.3 | Low | 98 Ų | 98 | 100.1 Ų | 100.1 | 52% | 0.524 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.7 | -35.5 | 170.4 | -167.6 | -15.6 | 0 | 0 | 0 | 111.2 | A86 Y92 L93 G94 | A86-N90 WeakPolarHBondContact O-CA 3.15Å; A86-N90 WeakPolarHBondContact O-CB 3.3Å; A86-N90 PolarHBondContact O-N 3.35Å; N90-Y92 PolarHBondContact O-N 2.84Å; N90-L93 CarbonylContact O-C 3.54Å; N90-L93 PolarHBondContact O-N 2.79Å; N90-G94 PolarHBondContact O-N 3.07Å |
| 91 | S | 54 | Low | 63.2 | Low | 76 Ų | 76 | 101.6 Ų | 101.6 | 53% | 0.531 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.5 | -24.6 | 170.1 | -58.2 | 0 | 0 | 0 | 0 | 112.5 | L87 Q95 | L87-S91 VanDerWaalsContact O-CB 3.29Å; L87-S91 WeakPolarHBondContact O-CB 3.13Å; L87-S91 PolarHBondContact O-N 2.88Å; L87-S91 PolarHBondContact O-OG 3.4Å; S91-Q95 PolarHBondContact O-NE2 3.17Å; S91-Q95 VanDerWaalsContact O-NE2 3.14Å |
| 92 | Y | 50.6 | Low | 61.4 | Low | 160 Ų | 160 | 105.7 Ų | 105.7 | 63% | 0.627 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -80.1 | -38.7 | 168.9 | -102.9 | -92.6 | 0 | 0 | 0 | 112.1 | R88 T89 N90 Q95 Y96 | R88-Y92 PolarHBondContact O-N 2.83Å; T89-Y92 CarbonylContact O-C 3.53Å; T89-Y92 WeakPolarHBondContact O-CA 3.23Å; T89-Y92 VanDerWaalsContact O-CB 3.31Å; T89-Y92 WeakPolarHBondContact O-CB 3.23Å; T89-Y92 PolarHBondContact O-N 2.78Å; T89-Y92 VanDerWaalsContact O-N 3.13Å; N90-Y92 PolarHBondContact O-N 2.84Å; Y92-Q95 PolarHBondContact O-N 3.09Å; Y92-Y96 VanDerWaalsContact O-CD2 3.23Å; Y92-Y96 WeakPolarHBondContact O-CD2 3.44Å |
| 93 | L | 52 | Low | 59.8 | Low | 119 Ų | 119 | 105.4 Ų | 105.4 | 62% | 0.623 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -76 | -30.3 | 179 | -78.9 | 155.8 | 0 | 0 | 0 | 114.3 | T89 N90 Q95 Y96 G97 | T89-L93 PolarHBondContact O-N 2.8Å; N90-L93 CarbonylContact O-C 3.54Å; N90-L93 PolarHBondContact O-N 2.79Å; L93-Q95 PolarHBondContact O-N 3.14Å; L93-Y96 PolarHBondContact O-N 3.34Å; L93-Y96 VanDerWaalsContact O-N 3.17Å; L93-G97 PolarHBondContact O-N 2.93Å |
| 94 | G | 49.7 | Very low | 58.2 | Low | 52 Ų | 52 | 108.8 Ų | 108.8 | 54% | 0.536 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.9 | -13.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N90 | N90-G94 PolarHBondContact O-N 3.07Š|
| 95 | Q | 51.8 | Low | 56.8 | Low | 146 Ų | 146 | 110 Ų | 110 | 68% | 0.682 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -22.1 | 169.6 | -76.6 | -178.2 | 87.8 | 0 | 0 | 113.2 | S91 Y92 L93 G97 | S91-Q95 PolarHBondContact O-NE2 3.17Å; S91-Q95 VanDerWaalsContact O-NE2 3.14Å; Y92-Q95 PolarHBondContact O-N 3.09Å; L93-Q95 PolarHBondContact O-N 3.14Å; Q95-G97 VanDerWaalsContact C-N 3.33Å |
| 96 | Y | 50.1 | Low | 55.6 | Low | 187 Ų | 187 | 112.4 Ų | 112.4 | 73% | 0.733 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -0.7 | 171.9 | -72.8 | -77.4 | 0 | 0 | 0 | 113.5 | Y92 L93 | Y92-Y96 VanDerWaalsContact O-CD2 3.23Å; Y92-Y96 WeakPolarHBondContact O-CD2 3.44Å; L93-Y96 PolarHBondContact O-N 3.34Å; L93-Y96 VanDerWaalsContact O-N 3.17Å |
| 97 | G | 53.1 | Low | 54.5 | Low | 60 Ų | 60 | 113.5 Ų | 113.5 | 62% | 0.619 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | 13.3 | 173 | 0 | 0 | 0 | 0 | 0 | 114.5 | L93 Q95 | L93-G97 PolarHBondContact O-N 2.93Å; Q95-G97 VanDerWaalsContact C-N 3.33Å |
| 98 | S | 41.3 | Very low | 53.7 | Low | 71 Ų | 71 | 114.8 Ų | 114.8 | 50% | 0.497 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -72.9 | 131.5 | 172.5 | -148.7 | 0 | 0 | 0 | 0 | 109.3 | D100 | S98-D100 PolarHBondContact O-N 3.45Š|
| 99 | P | 47.5 | Very low | 53.2 | Low | 130 Ų | 130 | 110.4 Ų | 110.4 | 84% | 0.844 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 42.6 | -179 | 32 | -35.8 | 0 | 0 | 0 | 113 | ||
| 100 | D | 53.3 | Low | 52.9 | Low | 111 Ų | 111 | 113.4 Ų | 113.4 | 59% | 0.594 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | 10.1 | 177.6 | -154.6 | 28.5 | 0 | 0 | 0 | 112.1 | S98 K102 S103 | S98-D100 PolarHBondContact O-N 3.45Å; D100-K102 VanDerWaalsContact C-N 3.33Å; D100-S103 PolarHBondContact O-OG 3Å; D100-S103 PolarHBondContact OD1-OG 2.85Å |
| 101 | S | 48.4 | Very low | 52.7 | Low | 77 Ų | 77 | 117.4 Ų | 117.4 | 54% | 0.538 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -81.5 | -12.2 | 176.8 | -49.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 102 | K | 50.9 | Low | 52.6 | Low | 181 Ų | 181 | 122.1 Ų | 122.1 | 79% | 0.787 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -82.3 | -38.4 | 175.3 | -72.6 | -169.2 | 176.9 | -171.9 | 0 | 112.3 | D100 E106 | D100-K102 VanDerWaalsContact C-N 3.33Å; K102-E106 PolarHBondContact O-N 2.74Å |
| 103 | S | 54.8 | Low | 52.7 | Low | 49 Ų | 49 | 118.7 Ų | 118.7 | 34% | 0.343 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -67.9 | -37 | 176.6 | 52.4 | 0 | 0 | 0 | 0 | 111.7 | D100 L105 E106 V107 | D100-S103 PolarHBondContact O-OG 3Å; D100-S103 PolarHBondContact OD1-OG 2.85Å; S103-L105 PolarHBondContact O-N 3.28Å; S103-E106 PolarHBondContact O-N 2.71Å; S103-V107 WeakPolarHBondContact O-CB 3.33Å; S103-V107 WeakPolarHBondContact O-CG2 3.22Å; S103-V107 PolarHBondContact O-N 2.64Å |
| 104 | K | 54 | Low | 53.1 | Low | 151 Ų | 151 | 118 Ų | 118 | 66% | 0.657 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.5 | -32.2 | -178.9 | -153.1 | 171.7 | -173.1 | 177.1 | 0 | 113.7 | M108 | K104-M108 WeakPolarHBondContact O-CG 3.32Å; K104-M108 PolarHBondContact O-N 2.77Å |
| 105 | L | 56.3 | Low | 53 | Low | 118 Ų | 118 | 121.4 Ų | 121.4 | 62% | 0.618 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -76.1 | -38.5 | 175.5 | -74.2 | 168.3 | 0 | 0 | 0 | 111.9 | S103 V107 M108 V109 | S103-L105 PolarHBondContact O-N 3.28Å; L105-V107 VanDerWaalsContact C-N 3.35Å; L105-M108 PolarHBondContact O-N 2.94Å; L105-V109 WeakPolarHBondContact O-CB 3Å; L105-V109 VanDerWaalsContact O-CG2 3.24Å; L105-V109 WeakPolarHBondContact O-CG2 3.47Å; L105-V109 PolarHBondContact O-N 2.87Å |
| 106 | E | 57.8 | Low | 52.9 | Low | 147 Ų | 147 | 120.1 Ų | 120.1 | 69% | 0.687 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -65 | -39.8 | 172.1 | -75.6 | -156.1 | 149.9 | 0 | 0 | 111.9 | K102 S103 V109 Q110 | K102-E106 PolarHBondContact O-N 2.74Å; S103-E106 PolarHBondContact O-N 2.71Å; E106-V109 PolarHBondContact O-N 3.35Å; E106-Q110 WeakPolarHBondContact O-CB 3.24Å; E106-Q110 PolarHBondContact O-N 2.86Å |
| 107 | V | 57.9 | Low | 52.8 | Low | 77 Ų | 77 | 115.6 Ų | 115.6 | 47% | 0.467 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -63.6 | -45.2 | 174.4 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | S103 L105 V109 Q110 Y111 | S103-V107 WeakPolarHBondContact O-CB 3.33Å; S103-V107 WeakPolarHBondContact O-CG2 3.22Å; S103-V107 PolarHBondContact O-N 2.64Å; L105-V107 VanDerWaalsContact C-N 3.35Å; V107-V109 PolarHBondContact O-N 3.34Å; V107-Q110 PolarHBondContact O-N 3.44Å; V107-Y111 HydrophobicContact CG1-CD2 3.61Å; V107-Y111 HydrophobicContact CG1-CE2 3.59Å; V107-Y111 VanDerWaalsContact O-CD2 3.23Å; V107-Y111 WeakPolarHBondContact O-CD2 3.44Å; V107-Y111 PolarHBondContact O-N 3.48Å |
| 108 | M | 57.3 | Low | 52.6 | Low | 129 Ų | 129 | 118.1 Ų | 118.1 | 64% | 0.635 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -64.3 | -37.1 | 175.8 | -77.6 | -176.6 | 89.3 | 0 | 0 | 113.3 | K104 L105 Q110 Y111 M112 | K104-M108 WeakPolarHBondContact O-CG 3.32Å; K104-M108 PolarHBondContact O-N 2.77Å; L105-M108 PolarHBondContact O-N 2.94Å; M108-Q110 VanDerWaalsContact C-N 3.33Å; M108-Y111 PolarHBondContact O-N 3.45Å; M108-M112 VanDerWaalsContact O-CB 3.32Å; M108-M112 WeakPolarHBondContact O-CB 3.45Å; M108-M112 PolarHBondContact O-N 3.02Å |
| 109 | V | 60.3 | Low | 52.8 | Low | 104 Ų | 104 | 122 Ų | 122 | 63% | 0.63 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -68.4 | -33.4 | 175.4 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | L105 E106 V107 M112 S113 | L105-V109 WeakPolarHBondContact O-CB 3Å; L105-V109 VanDerWaalsContact O-CG2 3.24Å; L105-V109 WeakPolarHBondContact O-CG2 3.47Å; L105-V109 PolarHBondContact O-N 2.87Å; E106-V109 PolarHBondContact O-N 3.35Å; V107-V109 PolarHBondContact O-N 3.34Å; V109-M112 PolarHBondContact O-N 3.41Å; V109-S113 PolarHBondContact O-N 3.17Å; V109-S113 PolarHBondContact O-OG 3.4Å |
| 110 | Q | 54.5 | Low | 52.6 | Low | 138 Ų | 138 | 127.7 Ų | 127.7 | 65% | 0.645 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -72.9 | -36.8 | 174.8 | -164.2 | 127.1 | 24 | 0 | 0 | 112.4 | E106 V107 M108 M112 S113 | E106-Q110 WeakPolarHBondContact O-CB 3.24Å; E106-Q110 PolarHBondContact O-N 2.86Å; V107-Q110 PolarHBondContact O-N 3.44Å; M108-Q110 VanDerWaalsContact C-N 3.33Å; Q110-M112 VanDerWaalsContact C-N 3.31Å; Q110-M112 PolarHBondContact O-N 2.9Å; Q110-S113 PolarHBondContact O-OG 3.26Å |
| 111 | Y | 51.1 | Low | 51.9 | Low | 182 Ų | 182 | 131.2 Ų | 131.2 | 71% | 0.714 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -70.6 | -24.8 | 173.1 | -87.4 | -82.3 | 0 | 0 | 0 | 113.1 | V107 M108 | V107-Y111 HydrophobicContact CG1-CD2 3.61Å; V107-Y111 HydrophobicContact CG1-CE2 3.59Å; V107-Y111 VanDerWaalsContact O-CD2 3.23Å; V107-Y111 WeakPolarHBondContact O-CD2 3.44Å; V107-Y111 PolarHBondContact O-N 3.48Å; M108-Y111 PolarHBondContact O-N 3.45Å |
| 112 | M | 52.6 | Low | 51.7 | Low | 175 Ų | 175 | 136.9 Ų | 136.9 | 86% | 0.862 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -89.8 | -11.9 | -178.8 | -150.6 | 158.2 | 176.4 | 0 | 0 | 113.7 | M108 V109 Q110 | M108-M112 VanDerWaalsContact O-CB 3.32Å; M108-M112 WeakPolarHBondContact O-CB 3.45Å; M108-M112 PolarHBondContact O-N 3.02Å; V109-M112 PolarHBondContact O-N 3.41Å; Q110-M112 VanDerWaalsContact C-N 3.31Å; Q110-M112 PolarHBondContact O-N 2.9Å |
| 113 | S | 51.8 | Low | 51.6 | Low | 89 Ų | 89 | 131.5 Ų | 131.5 | 62% | 0.622 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -94.7 | -7.4 | 173.5 | 48.4 | 0 | 0 | 0 | 0 | 113.8 | V109 Q110 | V109-S113 PolarHBondContact O-N 3.17Å; V109-S113 PolarHBondContact O-OG 3.4Å; Q110-S113 PolarHBondContact O-OG 3.26Å |
| 114 | V | 61.1 | Low | 50.9 | Low | 105 Ų | 105 | 136.5 Ų | 136.5 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -124.5 | 80.1 | 179 | -171.3 | 0 | 0 | 0 | 0 | 110.1 | ||
| 115 | T | 47 | Very low | 50.3 | Low | 123 Ų | 123 | 142 Ų | 142 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | trans | -166.7 | 130.6 | 143.6 | 12.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 116 | P | 50.5 | Low | 49.4 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | trans | -71.2 | 149.9 | 178.9 | 29.9 | -32.1 | 0 | 0 | 0 | 110.6 | ||||
| 117 | A | 47.7 | Very low | 49 | Very low | 93 Ų | 93 | 147.6 Ų | 147.6 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | trans | -42.4 | 129.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L119 | A117-L119 PolarHBondContact O-N 3.23Å; A117-L119 VanDerWaalsContact O-N 3.09Å | ||
| 118 | P | 47.4 | Very low | 48.3 | Very low | 112 Ų | 112 | 153 Ų | 153 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -72 | 109.5 | 172.5 | 27.2 | -30 | 0 | 0 | 0 | 109.2 | W120 | P118-W120 PolarHBondContact O-N 3.01Å; P118-W120 VanDerWaalsContact O-N 3.14Å | ||
| 119 | L | 46.1 | Very low | 47.5 | Very low | 153 Ų | 153 | 156.4 Ų | 156.4 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | trans | -63.1 | 107 | 165.7 | -155 | 106.6 | 0 | 0 | 0 | 107.6 | A117 K121 | A117-L119 PolarHBondContact O-N 3.23Å; A117-L119 VanDerWaalsContact O-N 3.09Å; L119-K121 PolarHBondContact O-N 3.44Å | ||
| 120 | W | 42.8 | Very low | 46.5 | Very low | 249 Ų | 249 | 156.4 Ų | 156.4 | 94% | 0.943 | 78% | 0.784 | S | S | * | * | trans | -55.9 | 112.4 | 178.6 | -71.7 | 86.4 | 0 | 0 | 0 | 110.9 | P118 | P118-W120 PolarHBondContact O-N 3.01Å; P118-W120 VanDerWaalsContact O-N 3.14Å | ||
| 121 | K | 39.2 | Very low | 46.2 | Very low | 186 Ų | 186 | 155.6 Ų | 155.6 | 81% | 0.809 | 79% | 0.791 | S | S | * | * | trans | -116.3 | 119.8 | 165.7 | -84.8 | -83.4 | -175.8 | 174.4 | 0 | 109 | L119 | L119-K121 PolarHBondContact O-N 3.44Š| ||
| 122 | H | 44.3 | Very low | 45.9 | Very low | 196 Ų | 196 | 155.2 Ų | 155.2 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | trans | -45.6 | 133.8 | 175.5 | -111.8 | -100.2 | 0 | 0 | 0 | 114 | ||||
| 123 | G | 49.9 | Very low | 45.3 | Very low | 67 Ų | 67 | 153.1 Ų | 153.1 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | trans | 70.7 | 104 | 142.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 124 | E | 38.7 | Very low | 44.9 | Very low | 154 Ų | 154 | 158 Ų | 158 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | trans | -165.6 | 108.6 | 137.9 | -82 | -137 | 133.2 | 0 | 0 | 108.6 | R126 | E124-R126 PolarHBondContact O-N 2.9Å; E124-R126 IonicContact OE2-CZ 2.65Å; E124-R126 IonicContact OE2-NE 3.73Å; E124-R126 IonicContact OE2-NH2 2.86Å; E124-R126 PolarHBondContact OE2-NH2 3.36Å | ||
| 125 | W | 41.2 | Very low | 43.9 | Very low | 268 Ų | 268 | 157.5 Ų | 157.5 | 100% | 1.015 | 81% | 0.813 | S | S | * | * | trans | -86.6 | 95 | 165.2 | -73.2 | 100.7 | 0 | 0 | 0 | 108.2 | ||||
| 126 | R | 37.5 | Very low | 43.5 | Very low | 198 Ų | 198 | 163.4 Ų | 163.4 | 75% | 0.747 | 84% | 0.84 | S | S | * | * | trans | -100.4 | 100.7 | 172.4 | -144.1 | -171.7 | -67.2 | -140.7 | -1 | 110.2 | E124 Q128 | E124-R126 PolarHBondContact O-N 2.9Å; E124-R126 IonicContact OE2-CZ 2.65Å; E124-R126 IonicContact OE2-NE 3.73Å; E124-R126 IonicContact OE2-NH2 2.86Å; E124-R126 PolarHBondContact OE2-NH2 3.36Å; R126-Q128 PolarHBondContact O-N 3Å | ||
| 127 | Q | 50 | Low | 43.2 | Very low | 184 Ų | 184 | 165.7 Ų | 165.7 | 86% | 0.86 | 84% | 0.844 | S | S | * | * | trans | -49.6 | 113.4 | 162.7 | -74.6 | -87.1 | 7 | 0 | 0 | 109.8 | ||||
| 128 | Q | 42.1 | Very low | 42.9 | Very low | 190 Ų | 190 | 169.5 Ų | 169.5 | 89% | 0.888 | 85% | 0.848 | S | S | * | * | trans | -104 | 101.5 | 168.2 | -123.4 | 178.5 | -4.4 | 0 | 0 | 109.1 | R126 | R126-Q128 PolarHBondContact O-N 3Š| ||
| 129 | K | 42.5 | Very low | 42.7 | Very low | 200 Ų | 200 | 172.7 Ų | 172.7 | 87% | 0.87 | 85% | 0.854 | S | S | * | * | trans | -54.3 | 139.2 | 172.8 | -100.2 | 175.5 | 174.4 | 178.7 | 0 | 111.7 | ||||
| 130 | S | 37.7 | Very low | 42.5 | Very low | 104 Ų | 104 | 173.8 Ų | 173.8 | 73% | 0.727 | 86% | 0.858 | S | S | * | * | trans | -57.4 | 140.9 | 164.6 | -169.8 | 0 | 0 | 0 | 0 | 111.5 | E132 | S130-E132 PolarHBondContact O-N 3.35Š| ||
| 131 | P | 48.2 | Very low | 42.5 | Very low | 122 Ų | 122 | 169.1 Ų | 169.1 | 79% | 0.792 | 85% | 0.852 | S | S | * | * | trans | -85.9 | 108.1 | 179.4 | 32.6 | -28.8 | 0 | 0 | 0 | 110.3 | ||||
| 132 | E | 45.4 | Very low | 42.7 | Very low | 174 Ų | 174 | 168 Ų | 168 | 81% | 0.813 | 86% | 0.855 | S | S | * | * | trans | -132.8 | 140.5 | 160.6 | -77.3 | -162.5 | 150.7 | 0 | 0 | 111.2 | S130 | S130-E132 PolarHBondContact O-N 3.35Š| ||
| 133 | T | 40.6 | Very low | 42.6 | Very low | 130 Ų | 130 | 166 Ų | 166 | 80% | 0.798 | 85% | 0.851 | S | S | * | * | trans | 99.7 | 92.6 | 161.5 | -38.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 134 | Q | 42 | Very low | 42 | Very low | 191 Ų | 191 | 173.6 Ų | 173.6 | 89% | 0.893 | 86% | 0.864 | S | S | * | * | trans | -52.8 | 130.7 | 144.7 | -67.1 | 175.1 | -16.1 | 0 | 0 | 110.1 | ||||
| 135 | A | 41.5 | Very low | 42.3 | Very low | 95 Ų | 95 | 175.3 Ų | 175.3 | 79% | 0.785 | 88% | 0.876 | S | S | * | * | trans | -177.8 | 130.6 | 140.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 136 | N | 38.5 | Very low | 42.4 | Very low | 247 Ų | 247 | 166.8 Ų | 166.8 | 100% | 1.321 | 86% | 0.863 | S | S | * | * | trans | 81.2 | 0 | 166.4 | -116.3 | -4.6 | 0 | 0 | 0 | 118.4 |
Retrieved 136 of 136 residues in 62.4 ms
(Link to these results)