| 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 | 72.2 | Confident | 90.2 | Very high | 245 Ų | 245 | 142.7 Ų | 142.7 | 100% | 1.207 | 80% | 0.796 | S | S | * | * | 0 | 142.7 | 0 | -69.5 | 168.4 | 170.2 | 0 | 0 | 108.2 | |||||
| 2 | T | 81.4 | Confident | 90.4 | Very high | 133 Ų | 133 | 139.6 Ų | 139.6 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | trans | -94.5 | 142.5 | 177.8 | 41.1 | 0 | 0 | 0 | 0 | 111 | A4 | T2-A4 PolarHBondContact O-N 2.88Š| ||
| 3 | T | 88.5 | Confident | 90.6 | Very high | 133 Ų | 133 | 142.9 Ų | 142.9 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 6.7 | -171.2 | 47.9 | 0 | 0 | 0 | 0 | 114.7 | ||
| 4 | A | 91.8 | Very high | 90.6 | Very high | 90 Ų | 90 | 136.2 Ų | 136.2 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -35.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T2 R6 | T2-A4 PolarHBondContact O-N 2.88Å; A4-R6 VanDerWaalsContact C-N 3.26Å; A4-R6 PolarHBondContact O-N 3.25Å |
| 5 | G | 93 | Very high | 90.3 | Very high | 82 Ų | 82 | 132.7 Ų | 132.7 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | -77.6 | 68.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 6 | R | 91.7 | Very high | 89.9 | Confident | 212 Ų | 212 | 139.2 Ų | 139.2 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | trans | -100 | 144.3 | 178.6 | 66.8 | -178.5 | 179.8 | 122 | -0.7 | 112.1 | A4 | A4-R6 VanDerWaalsContact C-N 3.26Å; A4-R6 PolarHBondContact O-N 3.25Å | ||
| 7 | P | 94.1 | Very high | 89.4 | Confident | 79 Ų | 79 | 133.5 Ų | 133.5 | 51% | 0.513 | 76% | 0.755 | S | S | . | * | trans | -71.6 | 162.3 | 169.7 | 32.1 | -35.9 | 0 | 0 | 0 | 111.7 | W9 | P7-W9 HydrophobicContact CG-CZ2 3.9Š| ||
| 8 | T | 94.5 | Very high | 88.7 | Confident | 117 Ų | 117 | 131.3 Ų | 131.3 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | trans | -92.1 | 109.8 | 173.6 | -58.4 | 0 | 0 | 0 | 0 | 109.5 | D10 | T8-D10 WeakPolarHBondContact CG2-O 3.27Š| ||
| 9 | W | 94.3 | Very high | 88 | Confident | 229 Ų | 229 | 131.7 Ų | 131.7 | 87% | 0.867 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -86 | -46.8 | 175.3 | -61 | 109.9 | 0 | 0 | 0 | 112 | P7 | P7-W9 HydrophobicContact CG-CZ2 3.9Š|
| 10 | D | 95.6 | Very high | 87.9 | Confident | 135 Ų | 135 | 129.4 Ų | 129.4 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -98.2 | 127.9 | 173.5 | -68.3 | -78.6 | 0 | 0 | 0 | 110.8 | T8 | T8-D10 WeakPolarHBondContact CG2-O 3.27Š|
| 11 | T | 95.2 | Very high | 87.5 | Confident | 115 Ų | 115 | 127 Ų | 127 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 152.7 | 171.6 | 52.5 | 0 | 0 | 0 | 0 | 111.7 | K13 | T11-K13 PolarHBondContact O-N 3.19Š|
| 12 | A | 92.9 | Very high | 87.6 | Confident | 105 Ų | 105 | 119.5 Ų | 119.5 | 87% | 0.868 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 124.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 13 | K | 92.5 | Very high | 87.2 | Confident | 183 Ų | 183 | 119.1 Ų | 119.1 | 80% | 0.796 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 137.6 | 176.9 | -62 | 178 | -176.5 | 176 | 0 | 109.6 | T11 | T11-K13 PolarHBondContact O-N 3.19Š|
| 14 | G | 90.2 | Very high | 86.2 | Confident | 49 Ų | 49 | 118 Ų | 118 | 51% | 0.505 | 67% | 0.668 | S | S | . | * | S | Bend | trans | -70.2 | -161.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 15 | S | 86.5 | Confident | 85.4 | Confident | 83 Ų | 83 | 117.6 Ų | 117.6 | 58% | 0.58 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 69.5 | 19.2 | -170.3 | -165.2 | 0 | 0 | 0 | 0 | 115.8 | E20 | S15-E20 WeakPolarHBondContact CA-OE2 3.26Å; S15-E20 PolarHBondContact N-OE1 3.28Å; S15-E20 PolarHBondContact N-OE2 3.11Å |
| 16 | R | 83.2 | Confident | 84.8 | Confident | 237 Ų | 237 | 118 Ų | 118 | 89% | 0.894 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -143.2 | -1.4 | -179.2 | -67.3 | -169.3 | 178.4 | -169.5 | -0.2 | 115.5 | E20 | R16-E20 PolarHBondContact N-OE2 2.83Š|
| 17 | G | 81.7 | Confident | 84.5 | Confident | 42 Ų | 42 | 110 Ų | 110 | 43% | 0.433 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -88 | -174.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | W19 E20 | G17-W19 PolarHBondContact O-N 3.33Å; G17-E20 WeakPolarHBondContact CA-OE2 3.48Å; G17-E20 PolarHBondContact N-OE2 3.11Å; G17-E20 WeakPolarHBondContact O-CB 3.41Å; G17-E20 PolarHBondContact O-N 3.25Å |
| 18 | K | 76.8 | Confident | 84.3 | Confident | 95 Ų | 95 | 116 Ų | 116 | 41% | 0.413 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.4 | 130.9 | 171.7 | -174.1 | -158.4 | 178.5 | -163.5 | 0 | 109.9 | E20 Q29 D34 | K18-E20 VanDerWaalsContact C-N 3.28Å; K18-E20 PolarHBondContact O-N 3.39Å; K18-Q29 WeakPolarHBondContact CE-O 3.4Å; K18-Q29 PolarHBondContact NZ-O 2.76Å; K18-D34 IonicContact NZ-OD2 3.7Å |
| 19 | W | 76.8 | Confident | 84.1 | Confident | 138 Ų | 138 | 117.3 Ų | 117.3 | 52% | 0.523 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 72.1 | 3.1 | -174.6 | -43 | 107.6 | 0 | 0 | 0 | 116.4 | G17 L26 | G17-W19 PolarHBondContact O-N 3.33Å; W19-L26 HydrophobicContact CE3-CD1 3.45Å; W19-L26 VanDerWaalsContact CE3-CD1 3.45Å; W19-L26 HydrophobicContact CE3-CG 4.04Å; W19-L26 HydrophobicContact CH2-CG 4.31Å; W19-L26 HydrophobicContact CZ3-CD1 3.44Å; W19-L26 VanDerWaalsContact CZ3-CD1 3.44Å; W19-L26 HydrophobicContact CZ3-CD2 3.89Å; W19-L26 HydrophobicContact CZ3-CG 3.5Å |
| 20 | E | 85.4 | Confident | 84 | Confident | 85 Ų | 85 | 114.5 Ų | 114.5 | 40% | 0.397 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -105.9 | 142 | -178.7 | -56.9 | -170.3 | 115.8 | 0 | 0 | 112.6 | S15 R16 G17 K18 D22 | S15-E20 WeakPolarHBondContact CA-OE2 3.26Å; S15-E20 PolarHBondContact N-OE1 3.28Å; S15-E20 PolarHBondContact N-OE2 3.11Å; R16-E20 PolarHBondContact N-OE2 2.83Å; G17-E20 WeakPolarHBondContact CA-OE2 3.48Å; G17-E20 PolarHBondContact N-OE2 3.11Å; G17-E20 WeakPolarHBondContact O-CB 3.41Å; G17-E20 PolarHBondContact O-N 3.25Å; K18-E20 VanDerWaalsContact C-N 3.28Å; K18-E20 PolarHBondContact O-N 3.39Å; E20-D22 PolarHBondContact O-N 2.73Å |
| 21 | G | 78.5 | Confident | 83.8 | Confident | 79 Ų | 79 | 110.4 Ų | 110.4 | 81% | 0.814 | 61% | 0.612 | S | S | * | * | S | Bend | trans | 76.4 | -46.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 22 | D | 75.4 | Confident | 83.9 | Confident | 88 Ų | 88 | 110.9 Ų | 110.9 | 47% | 0.471 | 62% | 0.615 | S | S | . | * | trans | -134.4 | 123.5 | 177 | 178.9 | 32.8 | 0 | 0 | 0 | 112.1 | E20 S24 A25 | E20-D22 PolarHBondContact O-N 2.73Å; D22-S24 WeakPolarHBondContact OD1-CB 3.47Å; D22-S24 PolarHBondContact OD1-N 3.17Å; D22-S24 WeakPolarHBondContact OD2-CB 3.24Å; D22-A25 WeakPolarHBondContact OD2-CB 3.32Å; D22-A25 PolarHBondContact OD2-N 3.43Å | ||
| 23 | L | 72.5 | Confident | 84.1 | Confident | 125 Ų | 125 | 116.8 Ų | 116.8 | 65% | 0.654 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -93.2 | -0.9 | 174 | -63.8 | 176.3 | 0 | 0 | 0 | 112.7 | L26 | L23-L26 HydrophobicContact CB-CD1 4.29Å; L23-L26 HydrophobicContact CD2-CD1 3.89Å; L23-L26 WeakPolarHBondContact O-CD1 3.19Å |
| 24 | S | 68.4 | Low | 84.1 | Confident | 109 Ų | 109 | 112.2 Ų | 112.2 | 76% | 0.762 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -77.3 | -39.2 | 173.2 | -163.8 | 0 | 0 | 0 | 0 | 111.6 | D22 L26 | D22-S24 WeakPolarHBondContact OD1-CB 3.47Å; D22-S24 PolarHBondContact OD1-N 3.17Å; D22-S24 WeakPolarHBondContact OD2-CB 3.24Å; S24-L26 PolarHBondContact O-N 2.79Å |
| 25 | A | 74.8 | Confident | 84.3 | Confident | 83 Ų | 83 | 114 Ų | 114 | 69% | 0.686 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -78.7 | 40.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D22 S27 | D22-A25 WeakPolarHBondContact OD2-CB 3.32Å; D22-A25 PolarHBondContact OD2-N 3.43Å; A25-S27 PolarHBondContact O-N 3.41Å |
| 26 | L | 80.2 | Confident | 84.8 | Confident | 91 Ų | 91 | 115.8 Ų | 115.8 | 48% | 0.476 | 61% | 0.606 | S | S | . | * | trans | -70.9 | 112.5 | -167.2 | -141.1 | 67.5 | 0 | 0 | 0 | 113.2 | W19 L23 S24 | W19-L26 HydrophobicContact CE3-CD1 3.45Å; W19-L26 VanDerWaalsContact CE3-CD1 3.45Å; W19-L26 HydrophobicContact CE3-CG 4.04Å; W19-L26 HydrophobicContact CH2-CG 4.31Å; W19-L26 HydrophobicContact CZ3-CD1 3.44Å; W19-L26 VanDerWaalsContact CZ3-CD1 3.44Å; W19-L26 HydrophobicContact CZ3-CD2 3.89Å; W19-L26 HydrophobicContact CZ3-CG 3.5Å; L23-L26 HydrophobicContact CB-CD1 4.29Å; L23-L26 HydrophobicContact CD2-CD1 3.89Å; L23-L26 WeakPolarHBondContact O-CD1 3.19Å; S24-L26 PolarHBondContact O-N 2.79Å | ||
| 27 | S | 85.7 | Confident | 85.5 | Confident | 44 Ų | 44 | 107.9 Ų | 107.9 | 31% | 0.308 | 59% | 0.592 | S | S | . | * | trans | -71.5 | 132.2 | 179.5 | 179.2 | 0 | 0 | 0 | 0 | 112.4 | A25 Q29 | A25-S27 PolarHBondContact O-N 3.41Å; S27-Q29 PolarHBondContact O-N 3.4Å; S27-Q29 PolarHBondContact OG-N 2.78Å; S27-Q29 PolarHBondContact OG-OE1 3.01Å | ||
| 28 | K | 88.9 | Confident | 86.2 | Confident | 205 Ų | 205 | 114.6 Ų | 114.6 | 89% | 0.891 | 61% | 0.611 | S | S | * | * | trans | -71.6 | -5.6 | 175 | -63 | -175.9 | 180 | -179.5 | 0 | 114.2 | ||||
| 29 | Q | 91 | Very high | 87.1 | Confident | 144 Ų | 144 | 115.5 Ų | 115.5 | 67% | 0.673 | 63% | 0.625 | S | S | * | * | trans | -75.1 | 130.4 | 177.6 | -64.8 | 166.5 | -23.6 | 0 | 0 | 110 | K18 S27 | K18-Q29 WeakPolarHBondContact CE-O 3.4Å; K18-Q29 PolarHBondContact NZ-O 2.76Å; S27-Q29 PolarHBondContact O-N 3.4Å; S27-Q29 PolarHBondContact OG-N 2.78Å; S27-Q29 PolarHBondContact OG-OE1 3.01Å | ||
| 30 | Y | 91.7 | Very high | 88.1 | Confident | 170 Ų | 170 | 117.7 Ų | 117.7 | 67% | 0.667 | 64% | 0.638 | S | S | * | * | trans | -131.9 | 149.8 | 172.1 | 58.9 | -90.7 | 0 | 0 | 0 | 110 | D34 L35 | Y30-D34 WeakPolarHBondContact CA-OD2 3.31Å; Y30-L35 HydrophobicContact CD2-CD2 4.11Å; Y30-L35 HydrophobicContact CE2-CD2 3.85Å | ||
| 31 | S | 92.6 | Very high | 88.6 | Confident | 49 Ų | 49 | 121.5 Ų | 121.5 | 34% | 0.343 | 66% | 0.66 | S | S | . | * | trans | -81.4 | 159.7 | 172.5 | -163.3 | 0 | 0 | 0 | 0 | 111 | R33 D34 | S31-R33 PolarHBondContact O-N 2.81Å; S31-R33 PolarHBondContact OG-N 3.24Å; S31-D34 WeakPolarHBondContact CB-OD1 3.18Å; S31-D34 VanDerWaalsContact N-CG 3.3Å; S31-D34 PolarHBondContact N-OD2 2.85Å; S31-D34 WeakPolarHBondContact O-CB 3.49Å; S31-D34 PolarHBondContact O-N 2.83Å | ||
| 32 | V | 96.8 | Very high | 89.5 | Confident | 125 Ų | 125 | 127.8 Ų | 127.8 | 76% | 0.758 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -57.5 | -27.9 | 164 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | D34 L35 | V32-D34 VanDerWaalsContact C-N 3.33Å; V32-L35 HydrophobicContact CG1-CD1 4.24Å |
| 33 | R | 96.2 | Very high | 90.4 | Very high | 229 Ų | 229 | 130.3 Ų | 130.3 | 86% | 0.864 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -75.5 | -16 | 173.9 | -65 | -179.4 | 174 | 90 | -2.7 | 114.4 | S31 L35 | S31-R33 PolarHBondContact O-N 2.81Å; S31-R33 PolarHBondContact OG-N 3.24Å; R33-L35 VanDerWaalsContact C-N 3.34Å |
| 34 | D | 93.6 | Very high | 91.5 | Very high | 86 Ų | 86 | 132 Ų | 132 | 46% | 0.46 | 68% | 0.676 | S | S | . | * | G | 310 helix | trans | -89.9 | -3.7 | 179 | -54.2 | -8.5 | 0 | 0 | 0 | 111.2 | K18 Y30 S31 V32 | K18-D34 IonicContact NZ-OD2 3.7Å; Y30-D34 WeakPolarHBondContact CA-OD2 3.31Å; S31-D34 WeakPolarHBondContact CB-OD1 3.18Å; S31-D34 VanDerWaalsContact N-CG 3.3Å; S31-D34 PolarHBondContact N-OD2 2.85Å; S31-D34 WeakPolarHBondContact O-CB 3.49Å; S31-D34 PolarHBondContact O-N 2.83Å; V32-D34 VanDerWaalsContact C-N 3.33Å |
| 35 | L | 94.8 | Very high | 92.7 | Very high | 87 Ų | 87 | 132.4 Ų | 132.4 | 46% | 0.455 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -68.7 | 149.1 | 177.1 | -67.5 | 175 | 0 | 0 | 0 | 111.2 | Y30 V32 R33 A37 | Y30-L35 HydrophobicContact CD2-CD2 4.11Å; Y30-L35 HydrophobicContact CE2-CD2 3.85Å; V32-L35 HydrophobicContact CG1-CD1 4.24Å; R33-L35 VanDerWaalsContact C-N 3.34Å; L35-A37 PolarHBondContact O-N 2.77Å |
| 36 | P | 96.7 | Very high | 93.7 | Very high | 120 Ų | 120 | 135.4 Ų | 135.4 | 78% | 0.779 | 67% | 0.665 | S | S | * | * | trans | -60.5 | 97.4 | -175 | -26.4 | 36.2 | 0 | 0 | 0 | 114.6 | T39 | P36-T39 HydrophobicContact CB-CG2 3.9Š| ||
| 37 | A | 96.4 | Very high | 94.2 | Very high | 72 Ų | 72 | 134.5 Ų | 134.5 | 60% | 0.595 | 68% | 0.678 | S | S | * | * | trans | -117.7 | 152.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L35 T39 | L35-A37 PolarHBondContact O-N 2.77Å; A37-T39 PolarHBondContact O-N 2.83Å; A37-T39 VanDerWaalsContact O-N 3.09Å | ||
| 38 | H | 96.7 | Very high | 94.6 | Very high | 182 Ų | 182 | 137.7 Ų | 137.7 | 84% | 0.843 | 69% | 0.688 | S | S | * | * | trans | 49.4 | 35.4 | 178.2 | -58.2 | -73.3 | 0 | 0 | 0 | 115.4 | K40 | H38-K40 PolarHBondContact O-N 3.2Š| ||
| 39 | T | 97.3 | Very high | 94.7 | Very high | 114 Ų | 114 | 129.1 Ų | 129.1 | 70% | 0.699 | 66% | 0.657 | S | S | * | * | trans | -64.5 | 4.9 | -176.3 | 57 | 0 | 0 | 0 | 0 | 115.8 | P36 A37 | P36-T39 HydrophobicContact CB-CG2 3.9Å; A37-T39 PolarHBondContact O-N 2.83Å; A37-T39 VanDerWaalsContact O-N 3.09Å | ||
| 40 | K | 97.1 | Very high | 94.8 | Very high | 184 Ų | 184 | 125.4 Ų | 125.4 | 80% | 0.8 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -130.9 | 113.2 | 174.5 | -64.4 | -177.8 | -178.8 | -180 | 0 | 108.9 | H38 | H38-K40 PolarHBondContact O-N 3.2Š|
| 41 | L | 96.3 | Very high | 94.8 | Very high | 166 Ų | 166 | 121 Ų | 121 | 87% | 0.869 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 135.9 | 173.2 | -63.6 | 177.5 | 0 | 0 | 0 | 110.1 | ||
| 42 | K | 96 | Very high | 94.7 | Very high | 210 Ų | 210 | 123.3 Ų | 123.3 | 91% | 0.913 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 117.7 | 174.3 | -66.4 | -178 | 179.8 | 179.9 | 0 | 109.3 | ||
| 43 | L | 94.6 | Very high | 94.3 | Very high | 141 Ų | 141 | 120.1 Ų | 120.1 | 74% | 0.738 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 142 | 169.2 | -62.2 | 175.9 | 0 | 0 | 0 | 110 | Q45 | L43-Q45 PolarHBondContact O-N 2.83Å; L43-Q45 PolarHBondContact O-NE2 3.38Å |
| 44 | R | 96.1 | Very high | 94.1 | Very high | 161 Ų | 161 | 112.8 Ų | 112.8 | 61% | 0.608 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 129.9 | 172.2 | -65.8 | -177.6 | -179.5 | -99.2 | -0 | 109.2 | Q48 G49 R50 | R44-Q48 HydrophobicContact CB-CB 4.31Å; R44-Q48 PolarHBondContact NH1-O 2.68Å; R44-G49 WeakPolarHBondContact CD-O 3.12Å; R44-R50 HydrophobicContact CB-CG 4.02Å; R44-R50 WeakPolarHBondContact O-CG 3.4Å |
| 45 | Q | 94.3 | Very high | 93.9 | Very high | 118 Ų | 118 | 116 Ų | 116 | 55% | 0.551 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 164.7 | 171.3 | -53.8 | -55.2 | -72.6 | 0 | 0 | 110.2 | L43 G47 Q48 | L43-Q45 PolarHBondContact O-N 2.83Å; L43-Q45 PolarHBondContact O-NE2 3.38Å; Q45-G47 PolarHBondContact O-N 2.85Å; Q45-Q48 HydrophobicContact CB-CG 4.16Å; Q45-Q48 VanDerWaalsContact O-CB 3.27Å; Q45-Q48 WeakPolarHBondContact O-CB 3.14Å; Q45-Q48 PolarHBondContact O-N 2.87Å |
| 46 | E | 93.9 | Very high | 93.6 | Very high | 146 Ų | 146 | 116.1 Ų | 116.1 | 68% | 0.682 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | 134.8 | 174.1 | -68.5 | 167.6 | -173.3 | 0 | 0 | 110.2 | Q48 R50 | E46-Q48 VanDerWaalsContact C-N 3.28Å; E46-Q48 PolarHBondContact O-N 3.41Å; E46-R50 VanDerWaalsContact CG-NH1 3.3Å; E46-R50 IonicContact OE1-NH1 3.74Å; E46-R50 PolarHBondContact OE1-NH1 2.9Å |
| 47 | G | 91.5 | Very high | 93.3 | Very high | 71 Ų | 71 | 116.4 Ų | 116.4 | 73% | 0.732 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 83.1 | -11.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q45 G49 D53 | Q45-G47 PolarHBondContact O-N 2.85Å; G47-G49 PolarHBondContact O-N 3.13Å; G47-D53 WeakPolarHBondContact CA-OD2 3.47Å; G47-D53 PolarHBondContact N-OD2 3.39Å |
| 48 | Q | 93.6 | Very high | 93.2 | Very high | 112 Ų | 112 | 118 Ų | 118 | 52% | 0.523 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -87.7 | 17.7 | 174.1 | -56.9 | -177.4 | -18.4 | 0 | 0 | 113 | R44 Q45 E46 | R44-Q48 HydrophobicContact CB-CB 4.31Å; R44-Q48 PolarHBondContact NH1-O 2.68Å; Q45-Q48 HydrophobicContact CB-CG 4.16Å; Q45-Q48 VanDerWaalsContact O-CB 3.27Å; Q45-Q48 WeakPolarHBondContact O-CB 3.14Å; Q45-Q48 PolarHBondContact O-N 2.87Å; E46-Q48 VanDerWaalsContact C-N 3.28Å; E46-Q48 PolarHBondContact O-N 3.41Å |
| 49 | G | 91.4 | Very high | 93.1 | Very high | 24 Ų | 24 | 114.8 Ų | 114.8 | 25% | 0.247 | 60% | 0.596 | C | S | . | * | trans | 70.8 | 51.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | R44 G47 D53 I54 | R44-G49 WeakPolarHBondContact CD-O 3.12Å; G47-G49 PolarHBondContact O-N 3.13Å; G49-D53 PolarHBondContact N-OD2 2.8Å; G49-I54 WeakPolarHBondContact O-CD1 3.41Å | ||
| 50 | R | 93.1 | Very high | 92.9 | Very high | 66 Ų | 66 | 116.1 Ų | 116.1 | 25% | 0.249 | 59% | 0.592 | C | S | . | * | trans | -55.3 | 151.5 | 162.6 | -95.9 | -177.7 | 72.2 | 178 | 4.9 | 109.6 | R44 E46 E52 D53 I54 | R44-R50 HydrophobicContact CB-CG 4.02Å; R44-R50 WeakPolarHBondContact O-CG 3.4Å; E46-R50 VanDerWaalsContact CG-NH1 3.3Å; E46-R50 IonicContact OE1-NH1 3.74Å; E46-R50 PolarHBondContact OE1-NH1 2.9Å; R50-E52 WeakPolarHBondContact CB-OE2 3.41Å; R50-E52 IonicContact CZ-OE1 2.64Å; R50-E52 IonicContact CZ-OE2 2.66Å; R50-E52 IonicContact NE-OE1 3.61Å; R50-E52 IonicContact NE-OE2 2.83Å; R50-E52 PolarHBondContact NE-OE2 3.49Å; R50-E52 IonicContact NH2-OE1 2.65Å; R50-E52 PolarHBondContact NH2-OE1 3.47Å; R50-E52 IonicContact NH2-OE2 2.68Å; R50-E52 PolarHBondContact NH2-OE2 2.87Å; R50-E52 PolarHBondContact O-N 2.85Å; R50-D53 HydrophobicContact CB-CB 4.39Å; R50-D53 WeakPolarHBondContact CB-OD2 3.28Å; R50-D53 PolarHBondContact N-OD2 3.2Å; R50-D53 WeakPolarHBondContact O-CB 3.48Å; R50-D53 PolarHBondContact O-N 2.83Å; R50-I54 WeakPolarHBondContact O-CG1 3.08Å; R50-I54 PolarHBondContact O-N 2.92Å | ||
| 51 | P | 91.1 | Very high | 92.8 | Very high | 77 Ų | 77 | 115.4 Ų | 115.4 | 50% | 0.5 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -58.1 | -29.9 | 175.5 | 23.3 | -30.9 | 0 | 0 | 0 | 111.8 | I54 Q55 | P51-I54 PolarHBondContact O-N 2.91Å; P51-Q55 VanDerWaalsContact O-CG 3.29Å; P51-Q55 WeakPolarHBondContact O-CG 3.15Å; P51-Q55 PolarHBondContact O-N 2.79Å; P51-Q55 VanDerWaalsContact O-N 3.08Å |
| 52 | E | 90.7 | Very high | 92.7 | Very high | 99 Ų | 99 | 109.8 Ų | 109.8 | 46% | 0.463 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70.2 | -36.5 | 173.4 | -54.6 | 91.9 | 152 | 0 | 0 | 113 | R50 I54 | R50-E52 WeakPolarHBondContact CB-OE2 3.41Å; R50-E52 IonicContact CZ-OE1 2.64Å; R50-E52 IonicContact CZ-OE2 2.66Å; R50-E52 IonicContact NE-OE1 3.61Å; R50-E52 IonicContact NE-OE2 2.83Å; R50-E52 PolarHBondContact NE-OE2 3.49Å; R50-E52 IonicContact NH2-OE1 2.65Å; R50-E52 PolarHBondContact NH2-OE1 3.47Å; R50-E52 IonicContact NH2-OE2 2.68Å; R50-E52 PolarHBondContact NH2-OE2 2.87Å; R50-E52 PolarHBondContact O-N 2.85Å; E52-I54 PolarHBondContact O-N 2.84Å |
| 53 | D | 89.9 | Confident | 92.7 | Very high | 58 Ų | 58 | 104.3 Ų | 104.3 | 31% | 0.31 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.8 | -20.6 | 173.6 | -55.1 | -23.8 | 0 | 0 | 0 | 112.7 | G47 G49 R50 | G47-D53 WeakPolarHBondContact CA-OD2 3.47Å; G47-D53 PolarHBondContact N-OD2 3.39Å; G49-D53 PolarHBondContact N-OD2 2.8Å; R50-D53 HydrophobicContact CB-CB 4.39Å; R50-D53 WeakPolarHBondContact CB-OD2 3.28Å; R50-D53 PolarHBondContact N-OD2 3.2Å; R50-D53 WeakPolarHBondContact O-CB 3.48Å; R50-D53 PolarHBondContact O-N 2.83Å |
| 54 | I | 91.5 | Very high | 92.8 | Very high | 75 Ų | 75 | 102.3 Ų | 102.3 | 39% | 0.385 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -95.6 | -34.5 | -172.5 | -74.1 | 169.8 | 0 | 0 | 0 | 110.9 | G49 R50 P51 E52 G56 K57 F59 | G49-I54 WeakPolarHBondContact O-CD1 3.41Å; R50-I54 WeakPolarHBondContact O-CG1 3.08Å; R50-I54 PolarHBondContact O-N 2.92Å; P51-I54 PolarHBondContact O-N 2.91Å; E52-I54 PolarHBondContact O-N 2.84Å; I54-G56 PolarHBondContact O-N 3.46Å; I54-K57 PolarHBondContact O-N 2.84Å; I54-F59 HydrophobicContact CB-CZ 4.39Å; I54-F59 HydrophobicContact CG1-CZ 4.3Å; I54-F59 HydrophobicContact CG2-CE2 4.01Å; I54-F59 HydrophobicContact CG2-CZ 3.89Å |
| 55 | Q | 89.2 | Confident | 92.7 | Very high | 154 Ų | 154 | 100.5 Ų | 100.5 | 72% | 0.72 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 112.7 | 178.7 | -76.3 | 170.9 | 13.7 | 0 | 0 | 111 | P51 | P51-Q55 VanDerWaalsContact O-CG 3.29Å; P51-Q55 WeakPolarHBondContact O-CG 3.15Å; P51-Q55 PolarHBondContact O-N 2.79Å; P51-Q55 VanDerWaalsContact O-N 3.08Å |
| 56 | G | 88.3 | Confident | 92.8 | Very high | 88 Ų | 88 | 101.7 Ų | 101.7 | 91% | 0.907 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.6 | -0.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | I54 | I54-G56 PolarHBondContact O-N 3.46Š|
| 57 | K | 90.3 | Very high | 92.9 | Very high | 127 Ų | 127 | 100.3 Ų | 100.3 | 55% | 0.552 | 52% | 0.524 | S | S | * | . | trans | -81.8 | 120.7 | 175.2 | -164.4 | 164.6 | -170.1 | 166.3 | 0 | 111 | I54 F59 | I54-K57 PolarHBondContact O-N 2.84Å; K57-F59 HydrophobicContact CB-CE2 4.07Å; K57-F59 HydrophobicContact CB-CZ 4.13Å; K57-F59 HydrophobicContact CD-CZ 4.48Å; K57-F59 HydrophobicContact CG-CZ 4.48Å; K57-F59 WeakPolarHBondContact O-CD2 3.05Å; K57-F59 WeakPolarHBondContact O-CE2 3.42Å; K57-F59 PolarHBondContact O-N 3.41Å | ||
| 58 | D | 93.8 | Very high | 93 | Very high | 104 Ų | 104 | 103.6 Ų | 103.6 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | trans | -78.2 | 87.6 | 178.9 | -173.3 | 0.3 | 0 | 0 | 0 | 111.3 | K60 A62 | D58-K60 VanDerWaalsContact C-N 3.26Å; D58-K60 PolarHBondContact O-N 3.41Å; D58-K60 PolarHBondContact OD1-N 3.11Å; D58-A62 PolarHBondContact O-N 2.76Å | ||
| 59 | F | 94.7 | Very high | 93 | Very high | 116 Ų | 116 | 105.7 Ų | 105.7 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.2 | -30.6 | -177.1 | -71.7 | -78.7 | 0 | 0 | 0 | 113.8 | I54 K57 A62 L63 | I54-F59 HydrophobicContact CB-CZ 4.39Å; I54-F59 HydrophobicContact CG1-CZ 4.3Å; I54-F59 HydrophobicContact CG2-CE2 4.01Å; I54-F59 HydrophobicContact CG2-CZ 3.89Å; K57-F59 HydrophobicContact CB-CE2 4.07Å; K57-F59 HydrophobicContact CB-CZ 4.13Å; K57-F59 HydrophobicContact CD-CZ 4.48Å; K57-F59 HydrophobicContact CG-CZ 4.48Å; K57-F59 WeakPolarHBondContact O-CD2 3.05Å; K57-F59 WeakPolarHBondContact O-CE2 3.42Å; K57-F59 PolarHBondContact O-N 3.41Å; F59-A62 PolarHBondContact O-N 3.43Å; F59-L63 WeakPolarHBondContact O-CB 3.06Å; F59-L63 PolarHBondContact O-N 3Å |
| 60 | K | 94.6 | Very high | 93 | Very high | 142 Ų | 142 | 108.9 Ų | 108.9 | 62% | 0.617 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.9 | -53.8 | -178.5 | 178 | 175.3 | 171.9 | 177.2 | 0 | 110.1 | D58 A62 L63 E64 | D58-K60 VanDerWaalsContact C-N 3.26Å; D58-K60 PolarHBondContact O-N 3.41Å; D58-K60 PolarHBondContact OD1-N 3.11Å; K60-A62 VanDerWaalsContact C-N 3.32Å; K60-A62 PolarHBondContact O-N 3.3Å; K60-L63 PolarHBondContact O-N 2.87Å; K60-E64 WeakPolarHBondContact CE-OE1 3.15Å; K60-E64 IonicContact NZ-OE1 2.64Å; K60-E64 WeakPolarHBondContact O-CG 3.5Å; K60-E64 PolarHBondContact O-N 2.97Å |
| 61 | R | 95 | Very high | 93 | Very high | 169 Ų | 169 | 108.6 Ų | 108.6 | 64% | 0.638 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -58.8 | -43.6 | 176.8 | 176 | -179.9 | 163.9 | 175.6 | -3.1 | 112 | L63 E64 E65 | R61-L63 VanDerWaalsContact C-N 3.29Å; R61-L63 PolarHBondContact O-N 2.85Å; R61-E64 PolarHBondContact O-N 2.85Å; R61-E65 WeakPolarHBondContact O-CB 3.2Å; R61-E65 PolarHBondContact O-N 3.43Å |
| 62 | A | 94 | Very high | 93 | Very high | 47 Ų | 47 | 110.5 Ų | 110.5 | 39% | 0.388 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.9 | -31.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D58 F59 K60 K66 | D58-A62 PolarHBondContact O-N 2.76Å; F59-A62 PolarHBondContact O-N 3.43Å; K60-A62 VanDerWaalsContact C-N 3.32Å; K60-A62 PolarHBondContact O-N 3.3Å; A62-K66 WeakPolarHBondContact O-CB 3.27Å; A62-K66 PolarHBondContact O-N 3.36Å |
| 63 | L | 95.5 | Very high | 93 | Very high | 96 Ų | 96 | 109.9 Ų | 109.9 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -73.5 | -50 | 174.2 | -178.9 | 151.9 | 0 | 0 | 0 | 110.8 | F59 K60 R61 E65 K66 E67 | F59-L63 WeakPolarHBondContact O-CB 3.06Å; F59-L63 PolarHBondContact O-N 3Å; K60-L63 PolarHBondContact O-N 2.87Å; R61-L63 VanDerWaalsContact C-N 3.29Å; R61-L63 PolarHBondContact O-N 2.85Å; L63-E65 VanDerWaalsContact C-N 3.27Å; L63-E65 PolarHBondContact O-N 2.84Å; L63-K66 PolarHBondContact O-N 3.36Å; L63-E67 HydrophobicContact CD2-CG 4.08Å; L63-E67 WeakPolarHBondContact CD2-OE1 3.33Å; L63-E67 WeakPolarHBondContact CD2-OE2 3.45Å; L63-E67 WeakPolarHBondContact O-CG 3.33Å; L63-E67 PolarHBondContact O-N 3.31Å |
| 64 | E | 96 | Very high | 93 | Very high | 98 Ų | 98 | 114 Ų | 114 | 46% | 0.458 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -57.3 | -38.9 | 177.1 | -71.8 | 173 | 173.4 | 0 | 0 | 112.2 | K60 R61 K68 | K60-E64 WeakPolarHBondContact CE-OE1 3.15Å; K60-E64 IonicContact NZ-OE1 2.64Å; K60-E64 WeakPolarHBondContact O-CG 3.5Å; K60-E64 PolarHBondContact O-N 2.97Å; R61-E64 PolarHBondContact O-N 2.85Å; E64-K68 WeakPolarHBondContact O-CB 3.41Å; E64-K68 PolarHBondContact O-N 3.47Å |
| 65 | E | 94.9 | Very high | 92.8 | Very high | 123 Ų | 123 | 115.1 Ų | 115.1 | 58% | 0.575 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.6 | -40.6 | 175.5 | -171 | 171.6 | 163.5 | 0 | 0 | 112.1 | R61 L63 R69 | R61-E65 WeakPolarHBondContact O-CB 3.2Å; R61-E65 PolarHBondContact O-N 3.43Å; L63-E65 VanDerWaalsContact C-N 3.27Å; L63-E65 PolarHBondContact O-N 2.84Å; E65-R69 WeakPolarHBondContact O-CB 3.38Å; E65-R69 PolarHBondContact O-N 2.68Å |
| 66 | K | 96.2 | Very high | 92.1 | Very high | 143 Ų | 143 | 110.6 Ų | 110.6 | 62% | 0.622 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.3 | -43.1 | 176.5 | -171 | -174.9 | 177 | -168.1 | 0 | 112 | A62 L63 R69 L70 | A62-K66 WeakPolarHBondContact O-CB 3.27Å; A62-K66 PolarHBondContact O-N 3.36Å; L63-K66 PolarHBondContact O-N 3.36Å; K66-R69 PolarHBondContact O-N 2.65Å; K66-L70 HydrophobicContact CG-CD1 4.24Å; K66-L70 WeakPolarHBondContact O-CG 3.47Å; K66-L70 PolarHBondContact O-N 3.2Å |
| 67 | E | 94.6 | Very high | 91 | Very high | 117 Ų | 117 | 115.9 Ų | 115.9 | 55% | 0.547 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.7 | -45.6 | 176 | -73.6 | -176.2 | 159.6 | 0 | 0 | 111.3 | L63 R69 L70 A71 | L63-E67 HydrophobicContact CD2-CG 4.08Å; L63-E67 WeakPolarHBondContact CD2-OE1 3.33Å; L63-E67 WeakPolarHBondContact CD2-OE2 3.45Å; L63-E67 WeakPolarHBondContact O-CG 3.33Å; L63-E67 PolarHBondContact O-N 3.31Å; E67-R69 VanDerWaalsContact C-N 3.29Å; E67-R69 PolarHBondContact O-N 2.88Å; E67-L70 PolarHBondContact O-N 2.96Å; E67-A71 WeakPolarHBondContact O-CB 3.47Å; E67-A71 PolarHBondContact O-N 2.93Å |
| 68 | K | 94.5 | Very high | 89.3 | Confident | 141 Ų | 141 | 114.4 Ų | 114.4 | 61% | 0.613 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -58.9 | -40.5 | 174.9 | -177.3 | 177.9 | 179.3 | -178.6 | 0 | 112 | E64 Q72 | E64-K68 WeakPolarHBondContact O-CB 3.41Å; E64-K68 PolarHBondContact O-N 3.47Å; K68-Q72 WeakPolarHBondContact O-CG 3.47Å; K68-Q72 PolarHBondContact O-N 3.17Å |
| 69 | R | 92.7 | Very high | 87.3 | Confident | 156 Ų | 156 | 114.7 Ų | 114.7 | 59% | 0.589 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.6 | -46.5 | 174.9 | 179.3 | 177.1 | 167.5 | 168.8 | -0.4 | 111.9 | E65 K66 E67 A71 Q72 E73 | E65-R69 WeakPolarHBondContact O-CB 3.38Å; E65-R69 PolarHBondContact O-N 2.68Å; K66-R69 PolarHBondContact O-N 2.65Å; E67-R69 VanDerWaalsContact C-N 3.29Å; E67-R69 PolarHBondContact O-N 2.88Å; R69-A71 VanDerWaalsContact C-N 3.31Å; R69-A71 PolarHBondContact O-N 2.81Å; R69-Q72 WeakPolarHBondContact O-CB 3.4Å; R69-Q72 PolarHBondContact O-N 3Å; R69-Q72 VanDerWaalsContact O-N 3.15Å; R69-E73 HydrophobicContact CG-CG 4.47Å; R69-E73 IonicContact CZ-OE1 2.72Å; R69-E73 IonicContact NE-OE1 3.43Å; R69-E73 PolarHBondContact NE-OE1 3.4Å; R69-E73 IonicContact NE-OE2 3.32Å; R69-E73 IonicContact NH2-OE1 3.51Å; R69-E73 PolarHBondContact NH2-OE1 2.78Å; R69-E73 WeakPolarHBondContact O-CG 3.32Å; R69-E73 PolarHBondContact O-N 3.48Å |
| 70 | L | 92.9 | Very high | 85.2 | Confident | 91 Ų | 91 | 116.1 Ų | 116.1 | 48% | 0.476 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.3 | -36.6 | 177.5 | -73.9 | 170.5 | 0 | 0 | 0 | 112.1 | K66 E67 E73 K74 | K66-L70 HydrophobicContact CG-CD1 4.24Å; K66-L70 WeakPolarHBondContact O-CG 3.47Å; K66-L70 PolarHBondContact O-N 3.2Å; E67-L70 PolarHBondContact O-N 2.96Å; L70-E73 PolarHBondContact O-N 2.95Å; L70-K74 WeakPolarHBondContact O-CB 3.47Å; L70-K74 PolarHBondContact O-N 3.47Å |
| 71 | A | 92.7 | Very high | 83 | Confident | 60 Ų | 60 | 115 Ų | 115 | 50% | 0.496 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.2 | -41.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E67 R69 S75 | E67-A71 WeakPolarHBondContact O-CB 3.47Å; E67-A71 PolarHBondContact O-N 2.93Å; R69-A71 VanDerWaalsContact C-N 3.31Å; R69-A71 PolarHBondContact O-N 2.81Å; A71-S75 WeakPolarHBondContact O-CB 3.44Å; A71-S75 PolarHBondContact O-N 2.94Å; A71-S75 PolarHBondContact O-OG 3.3Å |
| 72 | Q | 90.8 | Very high | 80.6 | Confident | 117 Ų | 117 | 111.5 Ų | 111.5 | 55% | 0.547 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.2 | -45.8 | 172.4 | -76.3 | 178 | -14.2 | 0 | 0 | 111.5 | K68 R69 S75 G76 | K68-Q72 WeakPolarHBondContact O-CG 3.47Å; K68-Q72 PolarHBondContact O-N 3.17Å; R69-Q72 WeakPolarHBondContact O-CB 3.4Å; R69-Q72 PolarHBondContact O-N 3Å; R69-Q72 VanDerWaalsContact O-N 3.15Å; Q72-S75 WeakPolarHBondContact CA-OG 3.24Å; Q72-S75 PolarHBondContact O-N 3.07Å; Q72-S75 PolarHBondContact O-OG 3.35Å; Q72-G76 PolarHBondContact O-N 2.84Å |
| 73 | E | 91.5 | Very high | 78.1 | Confident | 86 Ų | 86 | 115.1 Ų | 115.1 | 40% | 0.402 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.4 | -42.3 | 177.4 | -71.7 | 172.2 | 170.7 | 0 | 0 | 112.3 | R69 L70 S75 G76 R77 | R69-E73 HydrophobicContact CG-CG 4.47Å; R69-E73 IonicContact CZ-OE1 2.72Å; R69-E73 IonicContact NE-OE1 3.43Å; R69-E73 PolarHBondContact NE-OE1 3.4Å; R69-E73 IonicContact NE-OE2 3.32Å; R69-E73 IonicContact NH2-OE1 3.51Å; R69-E73 PolarHBondContact NH2-OE1 2.78Å; R69-E73 WeakPolarHBondContact O-CG 3.32Å; R69-E73 PolarHBondContact O-N 3.48Å; L70-E73 PolarHBondContact O-N 2.95Å; E73-S75 VanDerWaalsContact C-N 3.31Å; E73-S75 PolarHBondContact O-N 3.27Å; E73-G76 PolarHBondContact O-N 3.11Å; E73-R77 VanDerWaalsContact O-CB 3.23Å; E73-R77 WeakPolarHBondContact O-CB 3.25Å; E73-R77 PolarHBondContact O-N 2.89Å |
| 74 | K | 90.2 | Very high | 75.6 | Confident | 145 Ų | 145 | 115.7 Ų | 115.7 | 63% | 0.63 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.9 | -27.6 | 173.5 | -172.2 | 164.9 | -178.8 | 168.2 | 0 | 112.6 | L70 Q142 | L70-K74 WeakPolarHBondContact O-CB 3.47Å; L70-K74 PolarHBondContact O-N 3.47Å; K74-Q142 PolarHBondContact NZ-O 2.64Å |
| 75 | S | 85.4 | Confident | 73.4 | Confident | 98 Ų | 98 | 119.4 Ų | 119.4 | 69% | 0.685 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -82.7 | -33.1 | 174.2 | 74.5 | 0 | 0 | 0 | 0 | 114.2 | A71 Q72 E73 | A71-S75 WeakPolarHBondContact O-CB 3.44Å; A71-S75 PolarHBondContact O-N 2.94Å; A71-S75 PolarHBondContact O-OG 3.3Å; Q72-S75 WeakPolarHBondContact CA-OG 3.24Å; Q72-S75 PolarHBondContact O-N 3.07Å; Q72-S75 PolarHBondContact O-OG 3.35Å; E73-S75 VanDerWaalsContact C-N 3.31Å; E73-S75 PolarHBondContact O-N 3.27Å |
| 76 | G | 75.6 | Confident | 71.2 | Confident | 59 Ų | 59 | 121.4 Ų | 121.4 | 61% | 0.608 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -92.4 | -16.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q72 E73 P78 | Q72-G76 PolarHBondContact O-N 2.84Å; E73-G76 PolarHBondContact O-N 3.11Å; G76-P78 WeakPolarHBondContact O-CD 3.09Å |
| 77 | R | 65.9 | Low | 68.6 | Low | 199 Ų | 199 | 120.2 Ų | 120.2 | 75% | 0.751 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -86.8 | 98.1 | 169.8 | -168.9 | 179 | -169 | -162.7 | 2.4 | 108.6 | E73 | E73-R77 VanDerWaalsContact O-CB 3.23Å; E73-R77 WeakPolarHBondContact O-CB 3.25Å; E73-R77 PolarHBondContact O-N 2.89Å |
| 78 | P | 54.1 | Low | 66.2 | Low | 96 Ų | 96 | 118.7 Ų | 118.7 | 62% | 0.623 | 66% | 0.663 | S | S | * | * | trans | -58.4 | 149.8 | 170 | 28 | -36 | 0 | 0 | 0 | 109.1 | G76 I80 | G76-P78 WeakPolarHBondContact O-CD 3.09Å; P78-I80 WeakPolarHBondContact O-CG1 3.49Å; P78-I80 PolarHBondContact O-N 2.85Å | ||
| 79 | S | 50.7 | Low | 64 | Low | 109 Ų | 109 | 120 Ų | 120 | 76% | 0.762 | 68% | 0.675 | S | S | * | * | trans | -68.5 | 93.6 | -179.6 | -171.8 | 0 | 0 | 0 | 0 | 110.8 | N81 | S79-N81 PolarHBondContact O-N 2.89Š| ||
| 80 | I | 51.4 | Low | 61.9 | Low | 147 Ų | 147 | 118.2 Ų | 118.2 | 75% | 0.754 | 68% | 0.681 | S | S | * | * | trans | -74.8 | 63.9 | 178.2 | -45.3 | -177.3 | 0 | 0 | 0 | 109.3 | P78 | P78-I80 WeakPolarHBondContact O-CG1 3.49Å; P78-I80 PolarHBondContact O-N 2.85Å | ||
| 81 | N | 48.6 | Very low | 59.4 | Low | 119 Ų | 119 | 120.1 Ų | 120.1 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | trans | -154.5 | 27.8 | -177.4 | -124.9 | -47.3 | 0 | 0 | 0 | 114 | S79 K266 | S79-N81 PolarHBondContact O-N 2.89Å; N81-K266 PolarHBondContact OD1-NZ 2.88Å | ||
| 82 | A | 45 | Very low | 57.4 | Low | 94 Ų | 94 | 121.6 Ų | 121.6 | 78% | 0.777 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -118.7 | -7.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 83 | T | 40.6 | Very low | 55.4 | Low | 124 Ų | 124 | 125.8 Ų | 125.8 | 76% | 0.761 | 73% | 0.731 | S | S | * | * | trans | -136.4 | 76.3 | -178.1 | -49.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 84 | S | 44.2 | Very low | 52.9 | Low | 107 Ų | 107 | 133.1 Ų | 133.1 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | -103 | 64.9 | 157.6 | -165.9 | 0 | 0 | 0 | 0 | 109.3 | Q86 | S84-Q86 VanDerWaalsContact C-N 3.27Å; S84-Q86 PolarHBondContact O-N 3.05Å | ||
| 85 | Q | 49.7 | Very low | 50.8 | Low | 177 Ų | 177 | 132.4 Ų | 132.4 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | trans | -82.7 | 82.5 | 159.8 | -69.8 | -173.2 | 26.6 | 0 | 0 | 107 | ||||
| 86 | Q | 47.9 | Very low | 48.7 | Very low | 164 Ų | 164 | 133.2 Ų | 133.2 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 137.4 | 168.4 | -71.6 | -166.9 | -11.6 | 0 | 0 | 109 | S84 A88 | S84-Q86 VanDerWaalsContact C-N 3.27Å; S84-Q86 PolarHBondContact O-N 3.05Å; Q86-A88 PolarHBondContact O-N 2.77Å |
| 87 | P | 41.8 | Very low | 47.4 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 125.7 | 178.6 | 26.4 | -33.5 | 0 | 0 | 0 | 109.4 | I89 | P87-I89 PolarHBondContact O-N 3.43Å; P87-I89 VanDerWaalsContact O-N 3.11Å |
| 88 | A | 43.8 | Very low | 46.4 | Very low | 85 Ų | 85 | 131 Ų | 131 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 116.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q86 T90 | Q86-A88 PolarHBondContact O-N 2.77Å; A88-T90 PolarHBondContact O-N 3.08Å |
| 89 | I | 48.3 | Very low | 46.1 | Very low | 168 Ų | 168 | 131.2 Ų | 131.2 | 86% | 0.862 | 79% | 0.792 | S | S | * | * | trans | -72.4 | 73.5 | 177.2 | 48.4 | 165.4 | 0 | 0 | 0 | 111.3 | P87 S91 | P87-I89 PolarHBondContact O-N 3.43Å; P87-I89 VanDerWaalsContact O-N 3.11Å; I89-S91 PolarHBondContact O-N 3.47Å; I89-S91 VanDerWaalsContact O-N 3.11Å | ||
| 90 | T | 48.8 | Very low | 45.9 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | trans | -67.3 | 107.6 | 177.6 | 54.2 | 0 | 0 | 0 | 0 | 110.7 | A88 A92 | A88-T90 PolarHBondContact O-N 3.08Å; T90-A92 PolarHBondContact O-N 2.99Å | ||
| 91 | S | 40.3 | Very low | 45.6 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 92% | 0.923 | 80% | 0.796 | S | S | * | * | trans | -71.8 | 89.8 | -177.3 | 40.3 | 0 | 0 | 0 | 0 | 112.6 | I89 | I89-S91 PolarHBondContact O-N 3.47Å; I89-S91 VanDerWaalsContact O-N 3.11Å | ||
| 92 | A | 51.1 | Low | 45.7 | Very low | 91 Ų | 91 | 129.1 Ų | 129.1 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -118.2 | 119.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T90 | T90-A92 PolarHBondContact O-N 2.99Š| ||
| 93 | K | 48.9 | Very low | 45.5 | Very low | 204 Ų | 204 | 130 Ų | 130 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | -27.8 | 137.2 | 177.8 | -77 | 167 | 170.3 | 171.2 | 0 | 118.2 | ||||
| 94 | R | 39 | Very low | 46 | Very low | 241 Ų | 241 | 131.3 Ų | 131.3 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -59.1 | 148.6 | 158 | -52.1 | 169.4 | 86.2 | -177.9 | 9.3 | 110.9 | ||||
| 95 | P | 45.1 | Very low | 45.9 | Very low | 129 Ų | 129 | 133 Ų | 133 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | -116.7 | 176.2 | 126.8 | 35.3 | -32.6 | 0 | 0 | 0 | 111.5 | |||||
| 96 | S | 41.9 | Very low | 45.6 | Very low | 115 Ų | 115 | 129 Ų | 129 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -123.9 | 126.4 | -163.6 | 54.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 97 | S | 48.7 | Very low | 45.4 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -164.7 | 158.3 | 151.6 | 48.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 98 | A | 44.2 | Very low | 45.4 | Very low | 89 Ų | 89 | 125.8 Ų | 125.8 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | cis | 167 | 133.9 | -34.4 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 99 | A | 47.5 | Very low | 45.5 | Very low | 101 Ų | 101 | 130 Ų | 130 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | 67.5 | 151.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 100 | V | 48.1 | Very low | 45.3 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | cis | -138.3 | 149.6 | -3.9 | 177.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 101 | A | 43.8 | Very low | 44.9 | Very low | 100 Ų | 100 | 125.5 Ų | 125.5 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | -145.8 | 127.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 102 | P | 50.7 | Low | 45.6 | Very low | 104 Ų | 104 | 127.1 Ų | 127.1 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | -146.6 | 176.6 | 129.1 | 40.9 | -27.8 | 0 | 0 | 0 | 112.2 | |||||
| 103 | T | 42.1 | Very low | 45.2 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 69% | 0.693 | 79% | 0.791 | S | S | * | * | cis | -170 | 163.4 | -32.2 | 36.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 104 | I | 50.3 | Low | 45.2 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | trans | 59.4 | 149.4 | 165.7 | 61.1 | 170.1 | 0 | 0 | 0 | 116.5 | ||||
| 105 | D | 41.7 | Very low | 45.8 | Very low | 142 Ų | 142 | 128.4 Ų | 128.4 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | cis | -146.8 | -173.1 | 19.8 | -102.5 | -36 | 0 | 0 | 0 | 108.3 | ||||
| 106 | S | 43.4 | Very low | 45.7 | Very low | 92 Ų | 92 | 132.9 Ų | 132.9 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | cis | 170.4 | 152.2 | -36.4 | 179.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 107 | S | 43.5 | Very low | 46.2 | Very low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | 67.6 | 163.5 | 179.7 | 90.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 108 | T | 42.6 | Very low | 46.4 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 66% | 0.656 | 78% | 0.776 | S | S | * | * | cis | -156.5 | 143.2 | 22.7 | -99.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 109 | I | 46.5 | Very low | 46.4 | Very low | 173 Ų | 173 | 135.8 Ų | 135.8 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | trans | 62.8 | 141.1 | 166.1 | -71.2 | 161.6 | 0 | 0 | 0 | 117.7 | ||||
| 110 | G | 42.4 | Very low | 46.4 | Very low | 69 Ų | 69 | 137.6 Ų | 137.6 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | cis | 171.8 | 140.5 | -8.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 111 | S | 40.8 | Very low | 46.3 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | -100 | 144.1 | -166.3 | -48.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 112 | I | 55.4 | Low | 46.1 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | -125.7 | 131.9 | 169.5 | -60.4 | -179.4 | 0 | 0 | 0 | 110.2 | ||||
| 113 | K | 42.6 | Very low | 46.3 | Very low | 197 Ų | 197 | 140.7 Ų | 140.7 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | trans | -106 | 139.5 | -176.8 | -62.5 | 175.3 | 178.9 | 175.6 | 0 | 112.5 | ||||
| 114 | R | 49.6 | Very low | 46.4 | Very low | 229 Ų | 229 | 140.5 Ų | 140.5 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -154.6 | 100.9 | 155.4 | -86.6 | -173 | -73.1 | -161.1 | -0.8 | 108.2 | ||||
| 115 | T | 51 | Low | 46.5 | Very low | 137 Ų | 137 | 139 Ų | 139 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | 85.4 | 117.7 | 81.5 | 52.8 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 116 | R | 42.3 | Very low | 47.1 | Very low | 223 Ų | 223 | 137.3 Ų | 137.3 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | trans | -82.1 | -173 | 172 | -112.5 | -176.5 | 64.2 | -174.1 | -1.3 | 111.2 | ||||
| 117 | P | 54 | Low | 47.6 | Very low | 95 Ų | 95 | 140.1 Ų | 140.1 | 62% | 0.617 | 79% | 0.787 | S | S | * | * | cis | -120.3 | -169.3 | 4.8 | 31 | -5.9 | 0 | 0 | 0 | 112.1 | ||||
| 118 | E | 51.5 | Low | 48.1 | Very low | 177 Ų | 177 | 142.2 Ų | 142.2 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | cis | -152.8 | 176.1 | 45.2 | -77.2 | -167 | 149 | 0 | 0 | 116.2 | ||||
| 119 | T | 44.7 | Very low | 48.6 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | -62 | 141.9 | -162.9 | 51.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 120 | T | 47.4 | Very low | 48.8 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | -153.7 | 142.7 | 118.4 | 19.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 121 | T | 46.6 | Very low | 49.1 | Very low | 139 Ų | 139 | 146.1 Ų | 146.1 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | 10.8 | 129.2 | 163.6 | -41.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 122 | T | 39.5 | Very low | 49.8 | Very low | 127 Ų | 127 | 146 Ų | 146 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -91.1 | 137.2 | 178.2 | 50.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 123 | V | 53.7 | Low | 50.1 | Low | 131 Ų | 131 | 143.3 Ų | 143.3 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -139.9 | 129.2 | 150.5 | -87.7 | 0 | 0 | 0 | 0 | 108.6 | T125 | V123-T125 PolarHBondContact O-N 3.29Š| ||
| 124 | S | 45.9 | Very low | 50.6 | Low | 110 Ų | 110 | 144.1 Ų | 144.1 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -85.9 | 91.6 | -167.4 | -58.2 | 0 | 0 | 0 | 0 | 113 | T126 | S124-T126 VanDerWaalsContact C-N 3.31Å; S124-T126 PolarHBondContact O-N 3.07Å | ||
| 125 | T | 52.5 | Low | 50.8 | Low | 119 Ų | 119 | 140 Ų | 140 | 73% | 0.73 | 78% | 0.781 | S | S | * | * | trans | -82.1 | 68.3 | 175.3 | 56 | 0 | 0 | 0 | 0 | 111.6 | V123 | V123-T125 PolarHBondContact O-N 3.29Š| ||
| 126 | T | 53.2 | Low | 50.6 | Low | 106 Ų | 106 | 141.8 Ų | 141.8 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -135 | 8 | -174.8 | 67 | 0 | 0 | 0 | 0 | 115.5 | S124 | S124-T126 VanDerWaalsContact C-N 3.31Å; S124-T126 PolarHBondContact O-N 3.07Å |
| 127 | N | 54 | Low | 51 | Low | 151 Ų | 151 | 138.3 Ų | 138.3 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -152.4 | 59.8 | 177.2 | -72 | -64.7 | 0 | 0 | 0 | 110.7 | ||
| 128 | L | 54.7 | Low | 50.6 | Low | 153 Ų | 153 | 144.5 Ų | 144.5 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -137 | 125.6 | 175.6 | -70.6 | 173.3 | 0 | 0 | 0 | 109.4 | ||
| 129 | D | 51.9 | Low | 50.9 | Low | 169 Ų | 169 | 144.1 Ų | 144.1 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | trans | 28.1 | 88.8 | 174.3 | -69 | -9.4 | 0 | 0 | 0 | 117.4 | ||||
| 130 | A | 50.1 | Low | 51.2 | Low | 105 Ų | 105 | 146.9 Ų | 146.9 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | trans | -103.8 | 56.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 131 | D | 49.8 | Very low | 51.4 | Low | 158 Ų | 158 | 146.1 Ų | 146.1 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | -158 | 62.7 | -179.7 | -125.2 | -10.8 | 0 | 0 | 0 | 113.6 | ||||
| 132 | D | 55.5 | Low | 51.7 | Low | 122 Ų | 122 | 145.7 Ų | 145.7 | 65% | 0.652 | 78% | 0.779 | S | S | * | * | trans | -159.4 | 104.3 | 149.6 | -168.3 | 27.9 | 0 | 0 | 0 | 110.8 | W134 | D132-W134 PolarHBondContact O-N 3.14Å; D132-W134 VanDerWaalsContact OD2-CD1 3.28Å; D132-W134 PolarHBondContact OD2-NE1 2.82Å; D132-W134 VanDerWaalsContact OD2-NE1 3.15Å | ||
| 133 | P | 60.6 | Low | 51.7 | Low | 108 Ų | 108 | 144.5 Ų | 144.5 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | trans | -76 | 102.5 | 173.4 | 30.5 | -31.4 | 0 | 0 | 0 | 109.9 | D135 | P133-D135 PolarHBondContact O-N 2.66Š| ||
| 134 | W | 53.1 | Low | 51.4 | Low | 214 Ų | 214 | 145 Ų | 145 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | trans | -66.2 | 104 | 169.7 | -78.9 | 30 | 0 | 0 | 0 | 109.6 | D132 E136 | D132-W134 PolarHBondContact O-N 3.14Å; D132-W134 VanDerWaalsContact OD2-CD1 3.28Å; D132-W134 PolarHBondContact OD2-NE1 2.82Å; D132-W134 VanDerWaalsContact OD2-NE1 3.15Å; W134-E136 PolarHBondContact O-N 2.86Å | ||
| 135 | D | 55.1 | Low | 51.3 | Low | 142 Ų | 142 | 145.8 Ų | 145.8 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | trans | -61.9 | 101.1 | 167 | -83.8 | -30.7 | 0 | 0 | 0 | 108.9 | P133 D137 | P133-D135 PolarHBondContact O-N 2.66Å; D135-D137 PolarHBondContact O-N 3Å | ||
| 136 | E | 47.2 | Very low | 50.6 | Low | 175 Ų | 175 | 147.3 Ų | 147.3 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -74.3 | 50.2 | 176.1 | -67.3 | -169.9 | 124.1 | 0 | 0 | 112.3 | W134 Y138 | W134-E136 PolarHBondContact O-N 2.86Å; E136-Y138 PolarHBondContact O-N 2.8Å | ||
| 137 | D | 51 | Low | 50.1 | Low | 151 Ų | 151 | 149.7 Ų | 149.7 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | trans | -75.8 | 49.7 | 175.1 | -92.6 | 12.6 | 0 | 0 | 0 | 111.7 | D135 | D135-D137 PolarHBondContact O-N 3Š| ||
| 138 | Y | 45.1 | Very low | 49.1 | Very low | 224 Ų | 224 | 148.2 Ų | 148.2 | 88% | 0.878 | 77% | 0.771 | S | S | * | * | trans | -99.9 | 100.8 | 169.4 | -83.5 | -90.5 | 0 | 0 | 0 | 110 | E136 | E136-Y138 PolarHBondContact O-N 2.8Š| ||
| 139 | D | 57.9 | Low | 48.5 | Very low | 170 Ų | 170 | 150.7 Ų | 150.7 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | trans | -133.1 | 131.5 | 167.5 | -135.4 | -14.5 | 0 | 0 | 0 | 109.1 | ||||
| 140 | E | 51.3 | Low | 47.7 | Very low | 173 Ų | 173 | 152.3 Ų | 152.3 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | trans | -95.8 | 167.4 | -169.8 | -104.9 | 173.4 | 141.4 | 0 | 0 | 112.7 | ||||
| 141 | D | 51.3 | Low | 47.1 | Very low | 122 Ų | 122 | 153 Ų | 153 | 65% | 0.652 | 77% | 0.773 | S | S | * | * | trans | 68 | 110.8 | 156.5 | -67.1 | -11.9 | 0 | 0 | 0 | 120 | ||||
| 142 | Q | 52.3 | Low | 46.3 | Very low | 130 Ų | 130 | 153 Ų | 153 | 61% | 0.607 | 77% | 0.773 | S | S | * | * | 90.4 | 93.9 | 82.2 | -78.1 | 177.9 | 65.6 | 0 | 0 | 115.9 | K74 | K74-Q142 PolarHBondContact NZ-O 2.64Š| |||
| 143 | D | 40.1 | Very low | 45.4 | Very low | 102 Ų | 102 | 156 Ų | 156 | 55% | 0.545 | 78% | 0.783 | S | S | . | * | 83.5 | 141.8 | 128.1 | -51.6 | -25 | 0 | 0 | 0 | 123.4 | |||||
| 144 | D | 47.2 | Very low | 44.3 | Very low | 142 Ų | 142 | 158.8 Ų | 158.8 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | 98.3 | 99.3 | 154.3 | -65.2 | -36.2 | 0 | 0 | 0 | 124 | ||||
| 145 | V | 42.7 | Very low | 43.7 | Very low | 125 Ų | 125 | 157.8 Ų | 157.8 | 76% | 0.758 | 79% | 0.793 | S | S | * | * | 31.5 | 122.3 | 129.4 | -170.7 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 146 | I | 38.4 | Very low | 43.1 | Very low | 152 Ų | 152 | 155.7 Ų | 155.7 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -128.1 | 130.8 | 164.2 | -63.2 | 178.1 | 0 | 0 | 0 | 111.3 | T148 | I146-T148 HydrophobicContact CG2-CG2 4.41Š| ||
| 147 | I | 41.9 | Very low | 43.1 | Very low | 155 Ų | 155 | 157.2 Ų | 157.2 | 80% | 0.795 | 79% | 0.794 | S | S | * | * | trans | -91 | 134.7 | 171.4 | -65 | 171.8 | 0 | 0 | 0 | 109.4 | ||||
| 148 | T | 34.8 | Very low | 42.4 | Very low | 120 Ų | 120 | 157.7 Ų | 157.7 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -116.5 | 137.2 | 176.8 | 57.9 | 0 | 0 | 0 | 0 | 112.6 | I146 | I146-T148 HydrophobicContact CG2-CG2 4.41Š| ||
| 149 | K | 41.9 | Very low | 42.2 | Very low | 205 Ų | 205 | 152 Ų | 152 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | trans | -130.3 | 138.8 | 160.6 | -78.4 | -173.7 | 175.9 | 178.9 | 0 | 108.6 | ||||
| 150 | K | 34.9 | Very low | 41.3 | Very low | 203 Ų | 203 | 149.6 Ų | 149.6 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | -128.8 | 145.5 | 171.6 | -71.9 | -177 | 177.5 | 178.3 | 0 | 108.9 | ||||
| 151 | S | 37.4 | Very low | 40.9 | Very low | 119 Ų | 119 | 148.9 Ų | 148.9 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -144.2 | 105.5 | 167.7 | 54.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 152 | N | 33.5 | Very low | 40.4 | Very low | 160 Ų | 160 | 149.1 Ų | 149.1 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | -88.5 | 143.2 | 167 | -73.7 | 7.7 | 0 | 0 | 0 | 108.7 | ||||
| 153 | H | 35.1 | Very low | 40 | Very low | 183 Ų | 183 | 151.7 Ų | 151.7 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | trans | -130.9 | 133.7 | 163.3 | -153.6 | 75 | 0 | 0 | 0 | 108.9 | ||||
| 154 | N | 37.9 | Very low | 40.3 | Very low | 168 Ų | 168 | 155.4 Ų | 155.4 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | trans | -160.5 | 121.7 | 179.5 | -130.3 | -4.1 | 0 | 0 | 0 | 108.4 | ||||
| 155 | K | 41.4 | Very low | 40.1 | Very low | 192 Ų | 192 | 156.6 Ų | 156.6 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -154 | 123.4 | 171.3 | -164.7 | 173.7 | -177.4 | -177.9 | 0 | 110.4 | ||||
| 156 | S | 41.8 | Very low | 40.5 | Very low | 99 Ų | 99 | 158.6 Ų | 158.6 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | trans | -98.9 | 166.1 | 172.6 | 55.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 157 | K | 46.7 | Very low | 41.2 | Very low | 206 Ų | 206 | 157.1 Ų | 157.1 | 90% | 0.896 | 80% | 0.801 | S | S | * | * | 178.5 | 157.8 | 126.1 | -96 | 166.4 | -177.4 | -164.7 | 0 | 111.6 | |||||
| 158 | N | 36.5 | Very low | 41.8 | Very low | 162 Ų | 162 | 157.3 Ų | 157.3 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | trans | -153.3 | 145.3 | 176.3 | -171.6 | 39.4 | 0 | 0 | 0 | 110 | ||||
| 159 | S | 41.8 | Very low | 42.8 | Very low | 103 Ų | 103 | 158.4 Ų | 158.4 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | trans | 168.5 | 148.7 | -177.8 | 50.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 160 | T | 39 | Very low | 42.9 | Very low | 121 Ų | 121 | 156.1 Ų | 156.1 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | cis | -162.7 | 179.7 | -2.6 | -116 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 161 | E | 41.8 | Very low | 43.6 | Very low | 158 Ų | 158 | 150.1 Ų | 150.1 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | trans | -62.8 | -180 | -177.3 | -52.6 | 94.5 | 141.9 | 0 | 0 | 115.2 | ||||
| 162 | D | 41.2 | Very low | 44 | Very low | 127 Ų | 127 | 152.2 Ų | 152.2 | 68% | 0.679 | 80% | 0.795 | S | S | * | * | 172.9 | 168.6 | 69.3 | -177 | 29.2 | 0 | 0 | 0 | 113.6 | |||||
| 163 | R | 44.8 | Very low | 44.9 | Very low | 183 Ų | 183 | 152.3 Ų | 152.3 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | trans | 78.8 | 147.3 | 163.1 | -42.6 | -177.8 | -177.1 | 180 | -5 | 119.8 | ||||
| 164 | F | 46.9 | Very low | 45.6 | Very low | 181 Ų | 181 | 151 Ų | 151 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | cis | -158.8 | 167 | 37.9 | -86.8 | -81.1 | 0 | 0 | 0 | 113.3 | ||||
| 165 | D | 41.5 | Very low | 46.4 | Very low | 166 Ų | 166 | 152.5 Ų | 152.5 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -112.4 | 162.8 | 170.6 | -71.7 | -76.6 | 0 | 0 | 0 | 112.2 | ||||
| 166 | D | 50.9 | Low | 46.6 | Very low | 167 Ų | 167 | 151.4 Ų | 151.4 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | trans | -141 | 174.2 | 179 | -139.7 | -39.7 | 0 | 0 | 0 | 110.8 | ||||
| 167 | D | 53.3 | Low | 47.1 | Very low | 121 Ų | 121 | 150.7 Ų | 150.7 | 65% | 0.647 | 80% | 0.8 | S | S | * | * | trans | -133.1 | 166.9 | -147 | -169.1 | 24.9 | 0 | 0 | 0 | 117.3 | ||||
| 168 | Q | 55.7 | Low | 47.4 | Very low | 159 Ų | 159 | 148.2 Ų | 148.2 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | 78.1 | 153.1 | 162 | -40.2 | -171.6 | 0.7 | 0 | 0 | 117.8 | ||||
| 169 | N | 55 | Low | 48.2 | Very low | 143 Ų | 143 | 146.7 Ų | 146.7 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | cis | -156.7 | 146.8 | 25.4 | 175 | 81.9 | 0 | 0 | 0 | 113.6 | ||||
| 170 | D | 45.1 | Very low | 48.6 | Very low | 158 Ų | 158 | 148 Ų | 148 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | -97.7 | 166.4 | 172 | -84.8 | -46.6 | 0 | 0 | 0 | 113.4 | ||||
| 171 | G | 49.5 | Very low | 49.1 | Very low | 76 Ų | 76 | 148.5 Ų | 148.5 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | trans | 179.3 | 95.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 172 | D | 45.6 | Very low | 49.8 | Very low | 163 Ų | 163 | 147.4 Ų | 147.4 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | -81.5 | 152.7 | 164 | -61 | -52.2 | 0 | 0 | 0 | 111 | ||||
| 173 | D | 52 | Low | 50.3 | Low | 163 Ų | 163 | 148.2 Ų | 148.2 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | trans | -161.1 | 138.8 | 138.1 | -133.7 | -10.1 | 0 | 0 | 0 | 110.3 | ||||
| 174 | D | 48.9 | Very low | 50.6 | Low | 156 Ų | 156 | 146.4 Ų | 146.4 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | -122.3 | 126.4 | 178.7 | -82.3 | -48.7 | 0 | 0 | 0 | 109.3 | ||||
| 175 | E | 54.4 | Low | 50.9 | Low | 198 Ų | 198 | 143.2 Ų | 143.2 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | trans | -139.3 | 129.9 | 160.7 | -74.2 | -160 | 147.5 | 0 | 0 | 112 | ||||
| 176 | D | 45.9 | Very low | 51.3 | Low | 169 Ų | 169 | 142.6 Ų | 142.6 | 90% | 0.904 | 79% | 0.786 | S | S | * | * | trans | -83.9 | 156.4 | 174 | -74.1 | -62.2 | 0 | 0 | 0 | 112.4 | ||||
| 177 | A | 53.1 | Low | 51.3 | Low | 85 Ų | 85 | 142 Ų | 142 | 70% | 0.702 | 78% | 0.777 | S | S | * | * | 156.9 | 133.3 | 122.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 178 | D | 52 | Low | 51.3 | Low | 154 Ų | 154 | 145.3 Ų | 145.3 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | 36.9 | 131.9 | 140.9 | -51.4 | -22.9 | 0 | 0 | 0 | 121.9 | ||||
| 179 | N | 53.4 | Low | 51.2 | Low | 129 Ų | 129 | 143.7 Ų | 143.7 | 69% | 0.69 | 79% | 0.785 | S | S | * | * | 179.5 | 148.2 | 87.2 | -157 | 63.7 | 0 | 0 | 0 | 113.7 | |||||
| 180 | D | 50.5 | Low | 51.2 | Low | 130 Ų | 130 | 142.3 Ų | 142.3 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | trans | 26 | 121.8 | 159.8 | -57.1 | -15.2 | 0 | 0 | 0 | 120.9 | ||||
| 181 | D | 50 | Low | 51.7 | Low | 132 Ų | 132 | 142.6 Ų | 142.6 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | 83.3 | 103.3 | 59.3 | -176.6 | 39.7 | 0 | 0 | 0 | 115.1 | |||||
| 182 | V | 55.4 | Low | 52 | Low | 136 Ų | 136 | 146 Ų | 146 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | -173.9 | 152 | 116 | -87.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 183 | D | 52.3 | Low | 52.4 | Low | 143 Ų | 143 | 143.2 Ų | 143.2 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | trans | -85.3 | 172.4 | -174 | -74.7 | -44.8 | 0 | 0 | 0 | 116.5 | ||||
| 184 | D | 51.9 | Low | 52.9 | Low | 146 Ų | 146 | 139.1 Ų | 139.1 | 78% | 0.781 | 73% | 0.73 | S | S | * | * | trans | 64.4 | 145.2 | 147.4 | -76.1 | 6.4 | 0 | 0 | 0 | 121.2 | ||||
| 185 | D | 52.1 | Low | 53.5 | Low | 113 Ų | 113 | 134.6 Ų | 134.6 | 60% | 0.604 | 72% | 0.715 | S | S | * | * | cis | -165.5 | 140.3 | -23.6 | -161.4 | 6 | 0 | 0 | 0 | 108 | ||||
| 186 | D | 49.7 | Very low | 53.9 | Low | 154 Ų | 154 | 129.8 Ų | 129.8 | 82% | 0.824 | 69% | 0.692 | S | S | * | * | trans | -159.8 | 79.8 | 176.7 | -100.2 | -41.7 | 0 | 0 | 0 | 109.5 | E188 | D186-E188 PolarHBondContact O-N 3.42Š| ||
| 187 | E | 52.4 | Low | 54.6 | Low | 154 Ų | 154 | 124.9 Ų | 124.9 | 72% | 0.72 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -9.5 | -165.1 | -60.1 | 176.4 | 109.2 | 0 | 0 | 117.2 | ||
| 188 | E | 52.8 | Low | 55.2 | Low | 191 Ų | 191 | 123.5 Ų | 123.5 | 89% | 0.893 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -20.9 | -167.9 | -143 | 170.6 | -146.6 | 0 | 0 | 114.7 | D186 E190 | D186-E188 PolarHBondContact O-N 3.42Å; E188-E190 VanDerWaalsContact C-N 3.35Å |
| 189 | D | 53.6 | Low | 55.9 | Low | 125 Ų | 125 | 121.5 Ų | 121.5 | 67% | 0.668 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -81.5 | -15.5 | 167.8 | -92.8 | -30.4 | 0 | 0 | 0 | 112.1 | E191 M192 L193 | D189-E191 PolarHBondContact O-N 3.15Å; D189-M192 PolarHBondContact O-N 2.95Å; D189-L193 PolarHBondContact O-N 3.41Å |
| 190 | E | 54.4 | Low | 56.4 | Low | 113 Ų | 113 | 119.1 Ų | 119.1 | 53% | 0.528 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.5 | -36.1 | -172.4 | -150.6 | -155.9 | 180 | 0 | 0 | 112.7 | E188 M192 L193 L194 | E188-E190 VanDerWaalsContact C-N 3.35Å; E190-M192 VanDerWaalsContact C-N 3.3Å; E190-M192 PolarHBondContact O-N 3Å; E190-L193 CarbonylContact O-C 3.57Å; E190-L193 PolarHBondContact O-N 2.8Å; E190-L194 HydrophobicContact CG-CD1 4.2Å; E190-L194 HydrophobicContact CG-CG 4.26Å; E190-L194 VanDerWaalsContact O-CB 3.27Å; E190-L194 WeakPolarHBondContact O-CB 3.33Å; E190-L194 VanDerWaalsContact O-CG 3.26Å; E190-L194 WeakPolarHBondContact O-CG 3.46Å; E190-L194 PolarHBondContact O-N 2.77Å |
| 191 | E | 55.8 | Low | 57.6 | Low | 165 Ų | 165 | 119.3 Ų | 119.3 | 77% | 0.771 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.6 | -35.5 | 177.7 | -77.2 | -153.2 | 138.2 | 0 | 0 | 112.7 | D189 A195 | D189-E191 PolarHBondContact O-N 3.15Å; E191-A195 PolarHBondContact O-N 3.26Å; E191-A195 VanDerWaalsContact O-N 3.11Å |
| 192 | M | 56.8 | Low | 58.7 | Low | 146 Ų | 146 | 119.7 Ų | 119.7 | 72% | 0.719 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -73.7 | -39.6 | 177.8 | -158.1 | 176.9 | -49.4 | 0 | 0 | 110.9 | D189 E190 A195 E196 | D189-M192 PolarHBondContact O-N 2.95Å; E190-M192 VanDerWaalsContact C-N 3.3Å; E190-M192 PolarHBondContact O-N 3Å; M192-A195 PolarHBondContact O-N 3.15Å; M192-E196 PolarHBondContact O-N 2.79Å; M192-E196 VanDerWaalsContact O-N 3.11Å |
| 193 | L | 52.5 | Low | 59.7 | Low | 105 Ų | 105 | 118.5 Ų | 118.5 | 55% | 0.55 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68.7 | -32.9 | 175.1 | -126.6 | 169.7 | 0 | 0 | 0 | 112.1 | D189 E190 E196 L197 | D189-L193 PolarHBondContact O-N 3.41Å; E190-L193 CarbonylContact O-C 3.57Å; E190-L193 PolarHBondContact O-N 2.8Å; L193-E196 PolarHBondContact O-N 3.43Å; L193-L197 HydrophobicContact CD2-CD1 4.22Å; L193-L197 HydrophobicContact CD2-CG 4.27Å; L193-L197 VanDerWaalsContact O-CB 3.24Å; L193-L197 WeakPolarHBondContact O-CB 3.47Å; L193-L197 WeakPolarHBondContact O-CG 3.24Å; L193-L197 PolarHBondContact O-N 2.96Å |
| 194 | L | 62.1 | Low | 60.7 | Low | 78 Ų | 78 | 120.6 Ų | 120.6 | 41% | 0.408 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.3 | -33.7 | 172.3 | -78.6 | 170.3 | 0 | 0 | 0 | 112 | E190 A198 | E190-L194 HydrophobicContact CG-CD1 4.2Å; E190-L194 HydrophobicContact CG-CG 4.26Å; E190-L194 VanDerWaalsContact O-CB 3.27Å; E190-L194 WeakPolarHBondContact O-CB 3.33Å; E190-L194 VanDerWaalsContact O-CG 3.26Å; E190-L194 WeakPolarHBondContact O-CG 3.46Å; E190-L194 PolarHBondContact O-N 2.77Å; L194-A198 WeakPolarHBondContact O-CB 3.09Å; L194-A198 PolarHBondContact O-N 3.12Å |
| 195 | A | 62.6 | Low | 61.8 | Low | 61 Ų | 61 | 116.5 Ų | 116.5 | 50% | 0.504 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.3 | -42.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E191 M192 A198 K199 | E191-A195 PolarHBondContact O-N 3.26Å; E191-A195 VanDerWaalsContact O-N 3.11Å; M192-A195 PolarHBondContact O-N 3.15Å; A195-A198 PolarHBondContact O-N 3.22Å; A195-K199 WeakPolarHBondContact O-CB 3.24Å; A195-K199 PolarHBondContact O-N 2.93Å |
| 196 | E | 62.6 | Low | 62.9 | Low | 97 Ų | 97 | 116.3 Ų | 116.3 | 45% | 0.453 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.3 | -41.4 | 173.6 | -168.6 | 104.6 | -111.4 | 0 | 0 | 111.3 | M192 L193 A198 K199 I200 | M192-E196 PolarHBondContact O-N 2.79Å; M192-E196 VanDerWaalsContact O-N 3.11Å; L193-E196 PolarHBondContact O-N 3.43Å; E196-A198 VanDerWaalsContact C-N 3.33Å; E196-A198 PolarHBondContact O-N 3.01Å; E196-K199 CarbonylContact O-C 3.59Å; E196-K199 WeakPolarHBondContact O-CB 3.31Å; E196-K199 PolarHBondContact O-N 3.25Å; E196-K199 VanDerWaalsContact O-N 3.17Å; E196-K199 IonicContact OE1-NZ 2.83Å; E196-K199 PolarHBondContact OE1-NZ 3.29Å; E196-I200 HydrophobicContact CG-CD1 3.85Å; E196-I200 HydrophobicContact CG-CG1 4.47Å; E196-I200 WeakPolarHBondContact O-CB 3.47Å; E196-I200 WeakPolarHBondContact O-CG1 3.47Å; E196-I200 PolarHBondContact O-N 3.24Å |
| 197 | L | 59.6 | Low | 63.9 | Low | 65 Ų | 65 | 115.3 Ų | 115.3 | 34% | 0.34 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.1 | -36.1 | 172.2 | -85.1 | 167.1 | 0 | 0 | 0 | 112.2 | L193 K201 | L193-L197 HydrophobicContact CD2-CD1 4.22Å; L193-L197 HydrophobicContact CD2-CG 4.27Å; L193-L197 VanDerWaalsContact O-CB 3.24Å; L193-L197 WeakPolarHBondContact O-CB 3.47Å; L193-L197 WeakPolarHBondContact O-CG 3.24Å; L193-L197 PolarHBondContact O-N 2.96Å; L197-K201 WeakPolarHBondContact O-CB 3.26Å; L197-K201 WeakPolarHBondContact O-CD 3.3Å; L197-K201 WeakPolarHBondContact O-CG 3.42Å; L197-K201 PolarHBondContact O-N 2.9Å |
| 198 | A | 66.4 | Low | 65.1 | Low | 57 Ų | 57 | 110.8 Ų | 110.8 | 47% | 0.471 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.3 | -39.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L194 A195 E196 R202 | L194-A198 WeakPolarHBondContact O-CB 3.09Å; L194-A198 PolarHBondContact O-N 3.12Å; A195-A198 PolarHBondContact O-N 3.22Å; E196-A198 VanDerWaalsContact C-N 3.33Å; E196-A198 PolarHBondContact O-N 3.01Å; A198-R202 WeakPolarHBondContact O-CB 3.49Å; A198-R202 PolarHBondContact O-N 3.06Å |
| 199 | K | 66.9 | Low | 66.3 | Low | 112 Ų | 112 | 104.6 Ų | 104.6 | 49% | 0.487 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.7 | -48.3 | 173.9 | 178 | -177.9 | 152.8 | -143.6 | 0 | 111.8 | A195 E196 R202 E203 | A195-K199 WeakPolarHBondContact O-CB 3.24Å; A195-K199 PolarHBondContact O-N 2.93Å; E196-K199 CarbonylContact O-C 3.59Å; E196-K199 WeakPolarHBondContact O-CB 3.31Å; E196-K199 PolarHBondContact O-N 3.25Å; E196-K199 VanDerWaalsContact O-N 3.17Å; E196-K199 IonicContact OE1-NZ 2.83Å; E196-K199 PolarHBondContact OE1-NZ 3.29Å; K199-R202 WeakPolarHBondContact O-CB 3.36Å; K199-R202 PolarHBondContact O-N 3.26Å; K199-E203 VanDerWaalsContact O-CB 3.31Å; K199-E203 WeakPolarHBondContact O-CB 3.24Å; K199-E203 PolarHBondContact O-N 3.2Å |
| 200 | I | 64.9 | Low | 67.4 | Low | 78 Ų | 78 | 106.7 Ų | 106.7 | 40% | 0.4 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.8 | -40 | 177.3 | -67.3 | 165.8 | 0 | 0 | 0 | 111.4 | E196 E203 R204 | E196-I200 HydrophobicContact CG-CD1 3.85Å; E196-I200 HydrophobicContact CG-CG1 4.47Å; E196-I200 WeakPolarHBondContact O-CB 3.47Å; E196-I200 WeakPolarHBondContact O-CG1 3.47Å; E196-I200 PolarHBondContact O-N 3.24Å; I200-E203 PolarHBondContact O-N 3.1Å; I200-R204 WeakPolarHBondContact O-CB 3.28Å; I200-R204 PolarHBondContact O-N 3.36Å |
| 201 | K | 75.6 | Confident | 68.5 | Low | 134 Ų | 134 | 107 Ų | 107 | 58% | 0.583 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67 | -37 | 173.4 | -74.3 | 168.2 | -178.8 | 170 | 0 | 111.5 | L197 A205 | L197-K201 WeakPolarHBondContact O-CB 3.26Å; L197-K201 WeakPolarHBondContact O-CD 3.3Å; L197-K201 WeakPolarHBondContact O-CG 3.42Å; L197-K201 PolarHBondContact O-N 2.9Å; K201-A205 WeakPolarHBondContact O-CB 3.47Å; K201-A205 PolarHBondContact O-N 2.74Å |
| 202 | R | 72 | Confident | 69.6 | Low | 141 Ų | 141 | 101.9 Ų | 101.9 | 53% | 0.532 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67 | -40.9 | 173.6 | -165.9 | -158 | 74.7 | 71.4 | 15.1 | 111.5 | A198 K199 A205 E206 | A198-R202 WeakPolarHBondContact O-CB 3.49Å; A198-R202 PolarHBondContact O-N 3.06Å; K199-R202 WeakPolarHBondContact O-CB 3.36Å; K199-R202 PolarHBondContact O-N 3.26Å; R202-A205 PolarHBondContact O-N 3.29Å; R202-E206 IonicContact CZ-OE2 3.17Å; R202-E206 IonicContact NH1-OE1 3.98Å; R202-E206 IonicContact NH1-OE2 2.68Å; R202-E206 PolarHBondContact NH1-OE2 2.74Å; R202-E206 IonicContact NH2-OE2 2.81Å; R202-E206 PolarHBondContact NH2-OE2 2.76Å; R202-E206 VanDerWaalsContact O-CB 3.28Å; R202-E206 WeakPolarHBondContact O-CB 3.44Å; R202-E206 PolarHBondContact O-N 3.15Å |
| 203 | E | 76.1 | Confident | 70.7 | Confident | 111 Ų | 111 | 97.8 Ų | 97.8 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.2 | -48.2 | 178.7 | -171.4 | 158.1 | -151.7 | 0 | 0 | 111.6 | K199 I200 A205 E206 E207 | K199-E203 VanDerWaalsContact O-CB 3.31Å; K199-E203 WeakPolarHBondContact O-CB 3.24Å; K199-E203 PolarHBondContact O-N 3.2Å; I200-E203 PolarHBondContact O-N 3.1Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.38Å; E203-E206 PolarHBondContact O-N 2.74Å; E203-E207 WeakPolarHBondContact O-CB 3.08Å; E203-E207 PolarHBondContact O-N 2.76Å |
| 204 | R | 75 | Confident | 72.1 | Confident | 187 Ų | 187 | 97.8 Ų | 97.8 | 71% | 0.706 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.3 | -34.2 | 169.3 | -88.5 | -172.8 | 166.3 | 178.3 | -2.9 | 113 | I200 A208 | I200-R204 WeakPolarHBondContact O-CB 3.28Å; I200-R204 PolarHBondContact O-N 3.36Å; R204-A208 WeakPolarHBondContact O-CB 3.39Å; R204-A208 PolarHBondContact O-N 3.22Å |
| 205 | A | 74.7 | Confident | 73.1 | Confident | 59 Ų | 59 | 102.1 Ų | 102.1 | 49% | 0.488 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71.2 | -36.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K201 R202 E203 A209 | K201-A205 WeakPolarHBondContact O-CB 3.47Å; K201-A205 PolarHBondContact O-N 2.74Å; R202-A205 PolarHBondContact O-N 3.29Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.38Å; A205-A209 WeakPolarHBondContact O-CB 3.21Å; A205-A209 PolarHBondContact O-N 3.22Å |
| 206 | E | 74.2 | Confident | 74 | Confident | 109 Ų | 109 | 104.9 Ų | 104.9 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.3 | -42.2 | 175.3 | -174.8 | 162.6 | -150.5 | 0 | 0 | 111.3 | R202 E203 R210 | R202-E206 IonicContact CZ-OE2 3.17Å; R202-E206 IonicContact NH1-OE1 3.98Å; R202-E206 IonicContact NH1-OE2 2.68Å; R202-E206 PolarHBondContact NH1-OE2 2.74Å; R202-E206 IonicContact NH2-OE2 2.81Å; R202-E206 PolarHBondContact NH2-OE2 2.76Å; R202-E206 VanDerWaalsContact O-CB 3.28Å; R202-E206 WeakPolarHBondContact O-CB 3.44Å; R202-E206 PolarHBondContact O-N 3.15Å; E203-E206 PolarHBondContact O-N 2.74Å; E206-R210 WeakPolarHBondContact O-CB 2.77Å; E206-R210 PolarHBondContact O-N 2.96Å |
| 207 | E | 70 | Confident | 75.1 | Confident | 134 Ų | 134 | 102.7 Ų | 102.7 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.7 | -45.8 | 173.9 | -174.3 | 173 | -128.6 | 0 | 0 | 112.3 | E203 A209 R210 L211 | E203-E207 WeakPolarHBondContact O-CB 3.08Å; E203-E207 PolarHBondContact O-N 2.76Å; E207-A209 VanDerWaalsContact C-N 3.35Å; E207-A209 PolarHBondContact O-N 3.32Å; E207-R210 WeakPolarHBondContact O-CB 3.22Å; E207-R210 PolarHBondContact O-N 3.43Å; E207-L211 WeakPolarHBondContact O-CB 3.48Å; E207-L211 PolarHBondContact O-N 3.4Å |
| 208 | A | 78.9 | Confident | 76.1 | Confident | 58 Ų | 58 | 101.7 Ų | 101.7 | 48% | 0.479 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.9 | -35.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R204 L211 A212 | R204-A208 WeakPolarHBondContact O-CB 3.39Å; R204-A208 PolarHBondContact O-N 3.22Å; A208-L211 PolarHBondContact O-N 3.47Å; A208-A212 WeakPolarHBondContact O-CB 3.32Å; A208-A212 PolarHBondContact O-N 2.95Å |
| 209 | A | 78.7 | Confident | 76.9 | Confident | 62 Ų | 62 | 103.7 Ų | 103.7 | 51% | 0.512 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.2 | -39.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A205 E207 A213 | A205-A209 WeakPolarHBondContact O-CB 3.21Å; A205-A209 PolarHBondContact O-N 3.22Å; E207-A209 VanDerWaalsContact C-N 3.35Å; E207-A209 PolarHBondContact O-N 3.32Å; A209-A213 VanDerWaalsContact O-CB 3.27Å; A209-A213 WeakPolarHBondContact O-CB 3.39Å; A209-A213 PolarHBondContact O-N 3.29Å |
| 210 | R | 75.8 | Confident | 77.5 | Confident | 168 Ų | 168 | 102.4 Ų | 102.4 | 63% | 0.634 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.3 | -50.6 | 172.7 | -175.2 | -165.1 | 149.4 | -173.2 | -9.4 | 111 | E206 E207 A212 A213 E214 | E206-R210 WeakPolarHBondContact O-CB 2.77Å; E206-R210 PolarHBondContact O-N 2.96Å; E207-R210 WeakPolarHBondContact O-CB 3.22Å; E207-R210 PolarHBondContact O-N 3.43Å; R210-A212 VanDerWaalsContact C-N 3.32Å; R210-A212 PolarHBondContact O-N 2.83Å; R210-A213 CarbonylContact O-C 3.59Å; R210-A213 WeakPolarHBondContact O-CB 3.47Å; R210-A213 PolarHBondContact O-N 2.95Å; R210-A213 VanDerWaalsContact O-N 3.11Å; R210-E214 IonicContact CZ-OE2 3.6Å; R210-E214 IonicContact NE-OE2 3.13Å; R210-E214 PolarHBondContact NE-OE2 3.05Å; R210-E214 VanDerWaalsContact NE-OE2 3.13Å; R210-E214 IonicContact NH2-OE1 3.25Å; R210-E214 IonicContact NH2-OE2 3.01Å; R210-E214 PolarHBondContact NH2-OE2 3.22Å; R210-E214 WeakPolarHBondContact O-CB 3.41Å; R210-E214 PolarHBondContact O-N 3.3Å |
| 211 | L | 76.5 | Confident | 78.3 | Confident | 119 Ų | 119 | 102.5 Ų | 102.5 | 62% | 0.623 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.7 | -38.7 | -179.5 | -174.3 | 65.3 | 0 | 0 | 0 | 111.5 | E207 A208 E214 R215 | E207-L211 WeakPolarHBondContact O-CB 3.48Å; E207-L211 PolarHBondContact O-N 3.4Å; A208-L211 PolarHBondContact O-N 3.47Å; L211-E214 PolarHBondContact O-N 3.05Å; L211-R215 WeakPolarHBondContact O-CB 3.19Å; L211-R215 PolarHBondContact O-N 2.9Å |
| 212 | A | 80.3 | Confident | 78.5 | Confident | 58 Ų | 58 | 100.7 Ų | 100.7 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67 | -37.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A208 R210 K216 | A208-A212 WeakPolarHBondContact O-CB 3.32Å; A208-A212 PolarHBondContact O-N 2.95Å; R210-A212 VanDerWaalsContact C-N 3.32Å; R210-A212 PolarHBondContact O-N 2.83Å; A212-K216 WeakPolarHBondContact O-CB 3.23Å; A212-K216 PolarHBondContact O-N 3.41Å |
| 213 | A | 80 | Confident | 78.9 | Confident | 60 Ų | 60 | 102.1 Ų | 102.1 | 50% | 0.496 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.1 | -40 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A209 R210 K216 A217 | A209-A213 VanDerWaalsContact O-CB 3.27Å; A209-A213 WeakPolarHBondContact O-CB 3.39Å; A209-A213 PolarHBondContact O-N 3.29Å; R210-A213 CarbonylContact O-C 3.59Å; R210-A213 WeakPolarHBondContact O-CB 3.47Å; R210-A213 PolarHBondContact O-N 2.95Å; R210-A213 VanDerWaalsContact O-N 3.11Å; A213-K216 PolarHBondContact O-N 3.28Å; A213-A217 WeakPolarHBondContact O-CB 3.26Å; A213-A217 PolarHBondContact O-N 3.36Å |
| 214 | E | 81.9 | Confident | 79 | Confident | 105 Ų | 105 | 102.6 Ų | 102.6 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.8 | -45.6 | 178.1 | -166.6 | 160.3 | 171.2 | 0 | 0 | 110.6 | R210 L211 A217 A218 | R210-E214 IonicContact CZ-OE2 3.6Å; R210-E214 IonicContact NE-OE2 3.13Å; R210-E214 PolarHBondContact NE-OE2 3.05Å; R210-E214 VanDerWaalsContact NE-OE2 3.13Å; R210-E214 IonicContact NH2-OE1 3.25Å; R210-E214 IonicContact NH2-OE2 3.01Å; R210-E214 PolarHBondContact NH2-OE2 3.22Å; R210-E214 WeakPolarHBondContact O-CB 3.41Å; R210-E214 PolarHBondContact O-N 3.3Å; L211-E214 PolarHBondContact O-N 3.05Å; E214-A217 PolarHBondContact O-N 2.82Å; E214-A218 PolarHBondContact O-N 2.83Å |
| 215 | R | 82.2 | Confident | 79.2 | Confident | 169 Ų | 169 | 98.4 Ų | 98.4 | 64% | 0.638 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.2 | -45.9 | 170 | 178.9 | 177.3 | 170.4 | 153.3 | 5.7 | 112.2 | L211 A217 A218 E219 | L211-R215 WeakPolarHBondContact O-CB 3.19Å; L211-R215 PolarHBondContact O-N 2.9Å; R215-A217 VanDerWaalsContact C-N 3.31Å; R215-A217 PolarHBondContact O-N 3.38Å; R215-A218 PolarHBondContact O-N 2.98Å; R215-E219 HydrophobicContact CG-CG 4.49Å; R215-E219 IonicContact CZ-OE1 3.48Å; R215-E219 IonicContact NE-OE1 2.92Å; R215-E219 PolarHBondContact NE-OE1 3.43Å; R215-E219 IonicContact NH2-OE1 2.74Å; R215-E219 PolarHBondContact NH2-OE1 3.09Å; R215-E219 WeakPolarHBondContact O-CG 3.35Å; R215-E219 PolarHBondContact O-N 2.83Å |
| 216 | K | 82.6 | Confident | 79.4 | Confident | 119 Ų | 119 | 100.1 Ų | 100.1 | 52% | 0.517 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.2 | -37.8 | 177.5 | -173.5 | 180 | 179.5 | -98.8 | 0 | 111.7 | A212 A213 E219 E220 | A212-K216 WeakPolarHBondContact O-CB 3.23Å; A212-K216 PolarHBondContact O-N 3.41Å; A213-K216 PolarHBondContact O-N 3.28Å; K216-E219 PolarHBondContact O-N 2.83Å; K216-E220 VanDerWaalsContact CE-OE1 3.25Å; K216-E220 WeakPolarHBondContact CE-OE1 3.49Å; K216-E220 IonicContact NZ-OE1 2.76Å; K216-E220 PolarHBondContact NZ-OE1 3Å; K216-E220 WeakPolarHBondContact O-CB 3.45Å; K216-E220 WeakPolarHBondContact O-CG 3.46Å; K216-E220 PolarHBondContact O-N 3.01Å |
| 217 | A | 84.2 | Confident | 79.5 | Confident | 51 Ų | 51 | 100.3 Ų | 100.3 | 42% | 0.421 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A213 E214 R215 E220 T221 | A213-A217 WeakPolarHBondContact O-CB 3.26Å; A213-A217 PolarHBondContact O-N 3.36Å; E214-A217 PolarHBondContact O-N 2.82Å; R215-A217 VanDerWaalsContact C-N 3.31Å; R215-A217 PolarHBondContact O-N 3.38Å; A217-E220 PolarHBondContact O-N 2.84Å; A217-T221 WeakPolarHBondContact O-CG2 3.5Å; A217-T221 PolarHBondContact O-N 3.26Å; A217-T221 PolarHBondContact O-OG1 3.05Å |
| 218 | A | 81.1 | Confident | 79.5 | Confident | 44 Ų | 44 | 99.5 Ų | 99.5 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E214 R215 E220 T221 I222 | E214-A218 PolarHBondContact O-N 2.83Å; R215-A218 PolarHBondContact O-N 2.98Å; A218-E220 VanDerWaalsContact C-N 3.31Å; A218-E220 PolarHBondContact O-N 3.19Å; A218-T221 WeakPolarHBondContact CA-OG1 3.41Å; A218-T221 PolarHBondContact O-N 3.26Å; A218-T221 PolarHBondContact O-OG1 3.16Å; A218-I222 WeakPolarHBondContact O-CB 3.42Å; A218-I222 WeakPolarHBondContact O-CD1 3.49Å; A218-I222 VanDerWaalsContact O-CG1 3.24Å; A218-I222 WeakPolarHBondContact O-CG1 3.32Å; A218-I222 PolarHBondContact O-N 3.14Å |
| 219 | E | 82.6 | Confident | 79.1 | Confident | 99 Ų | 99 | 102.1 Ų | 102.1 | 46% | 0.463 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65 | -35.2 | 173.5 | -72.1 | 178.3 | -171.8 | 0 | 0 | 111.4 | R215 K216 R223 | R215-E219 HydrophobicContact CG-CG 4.49Å; R215-E219 IonicContact CZ-OE1 3.48Å; R215-E219 IonicContact NE-OE1 2.92Å; R215-E219 PolarHBondContact NE-OE1 3.43Å; R215-E219 IonicContact NH2-OE1 2.74Å; R215-E219 PolarHBondContact NH2-OE1 3.09Å; R215-E219 WeakPolarHBondContact O-CG 3.35Å; R215-E219 PolarHBondContact O-N 2.83Å; K216-E219 PolarHBondContact O-N 2.83Å; E219-R223 WeakPolarHBondContact O-CB 3.4Å; E219-R223 PolarHBondContact O-N 3.02Å |
| 220 | E | 80 | Confident | 78.7 | Confident | 86 Ų | 86 | 101.8 Ų | 101.8 | 40% | 0.402 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.9 | -37 | 173.4 | -77.1 | -177.7 | -174.8 | 0 | 0 | 113.1 | K216 A217 A218 R223 M224 | K216-E220 VanDerWaalsContact CE-OE1 3.25Å; K216-E220 WeakPolarHBondContact CE-OE1 3.49Å; K216-E220 IonicContact NZ-OE1 2.76Å; K216-E220 PolarHBondContact NZ-OE1 3Å; K216-E220 WeakPolarHBondContact O-CB 3.45Å; K216-E220 WeakPolarHBondContact O-CG 3.46Å; K216-E220 PolarHBondContact O-N 3.01Å; A217-E220 PolarHBondContact O-N 2.84Å; A218-E220 VanDerWaalsContact C-N 3.31Å; A218-E220 PolarHBondContact O-N 3.19Å; E220-R223 PolarHBondContact O-N 3.2Å; E220-M224 WeakPolarHBondContact O-CB 3.45Å; E220-M224 VanDerWaalsContact O-CG 3.32Å; E220-M224 WeakPolarHBondContact O-CG 3.08Å; E220-M224 PolarHBondContact O-N 3.17Å |
| 221 | T | 81.6 | Confident | 78.4 | Confident | 80 Ų | 80 | 96.7 Ų | 96.7 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.2 | -44.6 | 173.9 | 55.7 | 0 | 0 | 0 | 0 | 112 | A217 A218 R223 M224 E225 | A217-T221 WeakPolarHBondContact O-CG2 3.5Å; A217-T221 PolarHBondContact O-N 3.26Å; A217-T221 PolarHBondContact O-OG1 3.05Å; A218-T221 WeakPolarHBondContact CA-OG1 3.41Å; A218-T221 PolarHBondContact O-N 3.26Å; A218-T221 PolarHBondContact O-OG1 3.16Å; T221-R223 VanDerWaalsContact C-N 3.29Å; T221-R223 PolarHBondContact O-N 3.3Å; T221-M224 HydrophobicContact CG2-CE 4.24Å; T221-M224 PolarHBondContact O-N 3.25Å; T221-M224 VanDerWaalsContact O-N 3.17Å; T221-E225 PolarHBondContact O-N 3.26Å |
| 222 | I | 80.7 | Confident | 78.1 | Confident | 96 Ų | 96 | 96.2 Ų | 96.2 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.5 | -39.1 | 174.6 | -67.3 | 165.3 | 0 | 0 | 0 | 110.5 | A218 E225 N226 | A218-I222 WeakPolarHBondContact O-CB 3.42Å; A218-I222 WeakPolarHBondContact O-CD1 3.49Å; A218-I222 VanDerWaalsContact O-CG1 3.24Å; A218-I222 WeakPolarHBondContact O-CG1 3.32Å; A218-I222 PolarHBondContact O-N 3.14Å; I222-E225 PolarHBondContact O-N 3.36Å; I222-N226 WeakPolarHBondContact O-CB 3.23Å; I222-N226 PolarHBondContact O-N 2.95Å |
| 223 | R | 80.3 | Confident | 77.4 | Confident | 170 Ų | 170 | 100.5 Ų | 100.5 | 64% | 0.642 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66 | -40.8 | 174.3 | -175.5 | 178.9 | -178.1 | -158.2 | 1.2 | 112.2 | E219 E220 T221 I227 | E219-R223 WeakPolarHBondContact O-CB 3.4Å; E219-R223 PolarHBondContact O-N 3.02Å; E220-R223 PolarHBondContact O-N 3.2Å; T221-R223 VanDerWaalsContact C-N 3.29Å; T221-R223 PolarHBondContact O-N 3.3Å; R223-I227 HydrophobicContact CG-CD1 4.06Å; R223-I227 WeakPolarHBondContact O-CB 3.43Å; R223-I227 WeakPolarHBondContact O-CD1 3.44Å; R223-I227 VanDerWaalsContact O-CG1 3.24Å; R223-I227 WeakPolarHBondContact O-CG1 3.42Å; R223-I227 PolarHBondContact O-N 3.08Å |
| 224 | M | 77.7 | Confident | 76.7 | Confident | 121 Ų | 121 | 102.8 Ų | 102.8 | 60% | 0.596 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.8 | -43.2 | 174.4 | -76.5 | -172.8 | -67.4 | 0 | 0 | 111.9 | E220 T221 I227 L228 | E220-M224 WeakPolarHBondContact O-CB 3.45Å; E220-M224 VanDerWaalsContact O-CG 3.32Å; E220-M224 WeakPolarHBondContact O-CG 3.08Å; E220-M224 PolarHBondContact O-N 3.17Å; T221-M224 HydrophobicContact CG2-CE 4.24Å; T221-M224 PolarHBondContact O-N 3.25Å; T221-M224 VanDerWaalsContact O-N 3.17Å; M224-I227 PolarHBondContact O-N 2.84Å; M224-L228 WeakPolarHBondContact O-CB 3.22Å; M224-L228 PolarHBondContact O-N 2.64Å |
| 225 | E | 79.4 | Confident | 75.6 | Confident | 99 Ų | 99 | 101.4 Ų | 101.4 | 46% | 0.463 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 174.9 | -164.6 | -160.7 | 141.3 | 0 | 0 | 110.5 | T221 I222 I227 L228 K229 | T221-E225 PolarHBondContact O-N 3.26Å; I222-E225 PolarHBondContact O-N 3.36Å; E225-I227 VanDerWaalsContact C-N 3.28Å; E225-I227 PolarHBondContact O-N 2.85Å; E225-L228 WeakPolarHBondContact O-CB 3.27Å; E225-L228 PolarHBondContact O-N 2.82Å; E225-L228 VanDerWaalsContact O-N 3.07Å; E225-K229 WeakPolarHBondContact O-CB 3.45Å; E225-K229 PolarHBondContact O-N 3.01Å; E225-K229 WeakPolarHBondContact OE1-CD 3.38Å; E225-K229 IonicContact OE1-NZ 3.2Å; E225-K229 PolarHBondContact OE1-NZ 3.11Å |
| 226 | N | 78.9 | Confident | 74.5 | Confident | 95 Ų | 95 | 96.5 Ų | 96.5 | 51% | 0.508 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.9 | -27.1 | 178.5 | -79.5 | -23.9 | 0 | 0 | 0 | 113.5 | I222 G230 | I222-N226 WeakPolarHBondContact O-CB 3.23Å; I222-N226 PolarHBondContact O-N 2.95Å; N226-G230 VanDerWaalsContact O-CA 3.26Å; N226-G230 WeakPolarHBondContact O-CA 3.29Å; N226-G230 PolarHBondContact O-N 2.88Å |
| 227 | I | 75.9 | Confident | 73.4 | Confident | 113 Ų | 113 | 95.7 Ų | 95.7 | 58% | 0.579 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -74.3 | -38.8 | 170.8 | -71.6 | 165.8 | 0 | 0 | 0 | 111.1 | R223 M224 E225 | R223-I227 HydrophobicContact CG-CD1 4.06Å; R223-I227 WeakPolarHBondContact O-CB 3.43Å; R223-I227 WeakPolarHBondContact O-CD1 3.44Å; R223-I227 VanDerWaalsContact O-CG1 3.24Å; R223-I227 WeakPolarHBondContact O-CG1 3.42Å; R223-I227 PolarHBondContact O-N 3.08Å; M224-I227 PolarHBondContact O-N 2.84Å; E225-I227 VanDerWaalsContact C-N 3.28Å; E225-I227 PolarHBondContact O-N 2.85Å |
| 228 | L | 70.4 | Confident | 72.1 | Confident | 117 Ų | 117 | 100.2 Ų | 100.2 | 61% | 0.613 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.2 | -47.9 | 177.5 | -151 | 78.5 | 0 | 0 | 0 | 111.4 | M224 E225 N231 | M224-L228 WeakPolarHBondContact O-CB 3.22Å; M224-L228 PolarHBondContact O-N 2.64Å; E225-L228 WeakPolarHBondContact O-CB 3.27Å; E225-L228 PolarHBondContact O-N 2.82Å; E225-L228 VanDerWaalsContact O-N 3.07Å; L228-N231 WeakPolarHBondContact O-CB 3.27Å; L228-N231 PolarHBondContact O-N 3.01Å |
| 229 | K | 71.1 | Confident | 70.9 | Confident | 113 Ų | 113 | 102.7 Ų | 102.7 | 49% | 0.491 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -74.8 | -25.1 | 179.6 | -162.6 | 179 | -160.6 | 165.8 | 0 | 112.4 | E225 N231 N235 | E225-K229 WeakPolarHBondContact O-CB 3.45Å; E225-K229 PolarHBondContact O-N 3.01Å; E225-K229 WeakPolarHBondContact OE1-CD 3.38Å; E225-K229 IonicContact OE1-NZ 3.2Å; E225-K229 PolarHBondContact OE1-NZ 3.11Å; K229-N231 VanDerWaalsContact C-N 3.25Å; K229-N231 PolarHBondContact O-N 2.67Å; K229-N235 PolarHBondContact O-ND2 3.31Å |
| 230 | G | 69.6 | Low | 69.6 | Low | 56 Ų | 56 | 103.3 Ų | 103.3 | 58% | 0.577 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -5.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N226 P232 | N226-G230 VanDerWaalsContact O-CA 3.26Å; N226-G230 WeakPolarHBondContact O-CA 3.29Å; N226-G230 PolarHBondContact O-N 2.88Å; G230-P232 VanDerWaalsContact O-CD 3.24Å; G230-P232 WeakPolarHBondContact O-CD 3.17Å |
| 231 | N | 70.4 | Confident | 68.5 | Low | 60 Ų | 60 | 103.6 Ų | 103.6 | 32% | 0.321 | 58% | 0.575 | S | S | . | * | trans | -89.3 | 105.8 | 176.3 | -173.6 | -18.3 | 0 | 0 | 0 | 111 | L228 K229 L233 L234 N235 | L228-N231 WeakPolarHBondContact O-CB 3.27Å; L228-N231 PolarHBondContact O-N 3.01Å; K229-N231 VanDerWaalsContact C-N 3.25Å; K229-N231 PolarHBondContact O-N 2.67Å; N231-L233 PolarHBondContact O-N 2.87Å; N231-L233 VanDerWaalsContact O-N 3.14Å; N231-L233 VanDerWaalsContact OD1-CB 3.3Å; N231-L233 WeakPolarHBondContact OD1-CB 3.48Å; N231-L233 PolarHBondContact OD1-N 3.44Å; N231-L234 HydrophobicContact CB-CB 4.22Å; N231-L234 HydrophobicContact CB-CD1 4.24Å; N231-L234 HydrophobicContact CB-CG 4.35Å; N231-L234 WeakPolarHBondContact ND2-CD1 3.4Å; N231-L234 PolarHBondContact O-N 3.18Å; N231-L234 VanDerWaalsContact O-N 3.08Å; N231-N235 PolarHBondContact O-N 2.89Å; N231-N235 VanDerWaalsContact O-N 3.07Å | ||
| 232 | P | 70.3 | Confident | 67.3 | Low | 110 Ų | 110 | 109.6 Ų | 109.6 | 71% | 0.714 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -14.8 | -177.8 | 29.7 | -36.7 | 0 | 0 | 0 | 113.5 | G230 | G230-P232 VanDerWaalsContact O-CD 3.24Å; G230-P232 WeakPolarHBondContact O-CD 3.17Å |
| 233 | L | 64.3 | Low | 66.5 | Low | 147 Ų | 147 | 112 Ų | 112 | 77% | 0.77 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -35.3 | 173.2 | -118.9 | 69.4 | 0 | 0 | 0 | 111.9 | N231 S236 | N231-L233 PolarHBondContact O-N 2.87Å; N231-L233 VanDerWaalsContact O-N 3.14Å; N231-L233 VanDerWaalsContact OD1-CB 3.3Å; N231-L233 WeakPolarHBondContact OD1-CB 3.48Å; N231-L233 PolarHBondContact OD1-N 3.44Å; L233-S236 PolarHBondContact O-OG 3.37Å |
| 234 | L | 64.9 | Low | 65.9 | Low | 109 Ų | 109 | 109.3 Ų | 109.3 | 57% | 0.571 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -32.9 | -178 | -67.3 | 176.6 | 0 | 0 | 0 | 113 | N231 S236 | N231-L234 HydrophobicContact CB-CB 4.22Å; N231-L234 HydrophobicContact CB-CD1 4.24Å; N231-L234 HydrophobicContact CB-CG 4.35Å; N231-L234 WeakPolarHBondContact ND2-CD1 3.4Å; N231-L234 PolarHBondContact O-N 3.18Å; N231-L234 VanDerWaalsContact O-N 3.08Å; L234-S236 PolarHBondContact O-N 3.01Å |
| 235 | N | 58.7 | Low | 65.4 | Low | 76 Ų | 76 | 111.3 Ų | 111.3 | 41% | 0.406 | 61% | 0.609 | S | S | . | * | trans | -72.3 | 21.7 | 175.4 | -94.4 | 14 | 0 | 0 | 0 | 114.7 | K229 N231 S237 | K229-N235 PolarHBondContact O-ND2 3.31Å; N231-N235 PolarHBondContact O-N 2.89Å; N231-N235 VanDerWaalsContact O-N 3.07Å; N235-S237 PolarHBondContact O-N 2.96Å; N235-S237 VanDerWaalsContact O-N 3.11Å | ||
| 236 | S | 59 | Low | 65.2 | Low | 65 Ų | 65 | 113.6 Ų | 113.6 | 46% | 0.455 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.2 | 17.5 | 170.6 | -62.7 | 0 | 0 | 0 | 0 | 113.5 | L233 L234 N238 S239 | L233-S236 PolarHBondContact O-OG 3.37Å; L234-S236 PolarHBondContact O-N 3.01Å; S236-N238 CarbonylContact O-C 3.32Å; S236-N238 VanDerWaalsContact O-C 3.32Å; S236-N238 PolarHBondContact O-N 3.11Å; S236-S239 VanDerWaalsContact O-CA 3.31Å; S236-S239 WeakPolarHBondContact O-CA 3.26Å; S236-S239 PolarHBondContact O-N 3.28Å; S236-S239 PolarHBondContact O-OG 2.85Å |
| 237 | S | 59.8 | Low | 65.1 | Low | 102 Ų | 102 | 116.5 Ų | 116.5 | 71% | 0.713 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -33.4 | 169.2 | 50.4 | 0 | 0 | 0 | 0 | 111.5 | N235 S239 | N235-S237 PolarHBondContact O-N 2.96Å; N235-S237 VanDerWaalsContact O-N 3.11Å; S237-S239 PolarHBondContact O-N 3Å |
| 238 | N | 57.9 | Low | 65.5 | Low | 146 Ų | 146 | 121.1 Ų | 121.1 | 78% | 0.781 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -69.7 | 73.4 | 152 | -82.7 | -31.3 | 0 | 0 | 0 | 109.5 | S236 S240 | S236-N238 CarbonylContact O-C 3.32Å; S236-N238 VanDerWaalsContact O-C 3.32Å; S236-N238 PolarHBondContact O-N 3.11Å; N238-S240 PolarHBondContact O-N 2.86Å |
| 239 | S | 56 | Low | 66.2 | Low | 97 Ų | 97 | 118.1 Ų | 118.1 | 68% | 0.678 | 61% | 0.612 | S | S | * | * | trans | -69 | 79.2 | 178.1 | -75.8 | 0 | 0 | 0 | 0 | 110.4 | S236 S237 E241 | S236-S239 VanDerWaalsContact O-CA 3.31Å; S236-S239 WeakPolarHBondContact O-CA 3.26Å; S236-S239 PolarHBondContact O-N 3.28Å; S236-S239 PolarHBondContact O-OG 2.85Å; S237-S239 PolarHBondContact O-N 3Å; S239-E241 WeakPolarHBondContact O-CA 3.19Å; S239-E241 PolarHBondContact O-N 3.23Å | ||
| 240 | S | 54.8 | Low | 66.7 | Low | 111 Ų | 111 | 117.2 Ų | 117.2 | 78% | 0.776 | 61% | 0.613 | S | S | * | * | trans | -55.3 | 111.1 | 172.6 | 52.5 | 0 | 0 | 0 | 0 | 108.5 | N238 F242 | N238-S240 PolarHBondContact O-N 2.86Å; S240-F242 PolarHBondContact O-N 3.37Å | ||
| 241 | E | 56.6 | Low | 67.6 | Low | 92 Ų | 92 | 120.7 Ų | 120.7 | 43% | 0.43 | 62% | 0.618 | S | S | . | * | trans | -68.5 | 91.1 | -149.9 | -173.4 | -166.2 | -132.9 | 0 | 0 | 112.8 | S239 K243 K245 | S239-E241 WeakPolarHBondContact O-CA 3.19Å; S239-E241 PolarHBondContact O-N 3.23Å; E241-K243 HydrophobicContact CG-CB 3.93Å; E241-K243 HydrophobicContact CG-CD 3.99Å; E241-K243 HydrophobicContact CG-CG 3.77Å; E241-K243 PolarHBondContact O-N 2.96Å; E241-K243 VanDerWaalsContact OE1-CD 3.28Å; E241-K243 WeakPolarHBondContact OE1-CD 3.24Å; E241-K243 VanDerWaalsContact OE1-CE 3.24Å; E241-K243 WeakPolarHBondContact OE1-CE 3.47Å; E241-K243 IonicContact OE1-NZ 3.9Å; E241-K243 PolarHBondContact OE1-NZ 2.89Å; E241-K245 IonicContact OE2-NZ 3.92Å; E241-K245 PolarHBondContact OE2-NZ 3.23Å | ||
| 242 | F | 55.8 | Low | 68.5 | Low | 207 Ų | 207 | 121.6 Ų | 121.6 | 91% | 0.908 | 63% | 0.625 | S | S | * | * | trans | -71.8 | 27.4 | 174.1 | -149.6 | -92.8 | 0 | 0 | 0 | 113.1 | S240 V244 | S240-F242 PolarHBondContact O-N 3.37Å; F242-V244 PolarHBondContact O-N 3.31Å | ||
| 243 | K | 65.6 | Low | 69.4 | Low | 146 Ų | 146 | 122.4 Ų | 122.4 | 64% | 0.635 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -64.4 | 131.4 | 157.1 | -70.6 | -177.1 | -163.7 | 146.7 | 0 | 107.2 | E241 K245 | E241-K243 HydrophobicContact CG-CB 3.93Å; E241-K243 HydrophobicContact CG-CD 3.99Å; E241-K243 HydrophobicContact CG-CG 3.77Å; E241-K243 PolarHBondContact O-N 2.96Å; E241-K243 VanDerWaalsContact OE1-CD 3.28Å; E241-K243 WeakPolarHBondContact OE1-CD 3.24Å; E241-K243 VanDerWaalsContact OE1-CE 3.24Å; E241-K243 WeakPolarHBondContact OE1-CE 3.47Å; E241-K243 IonicContact OE1-NZ 3.9Å; E241-K243 PolarHBondContact OE1-NZ 2.89Å; K243-K245 VanDerWaalsContact C-N 3.26Å; K243-K245 PolarHBondContact O-N 2.83Å |
| 244 | V | 65.7 | Low | 70.6 | Confident | 114 Ų | 114 | 123 Ų | 123 | 69% | 0.691 | 62% | 0.624 | S | S | * | * | trans | -59.5 | 91.2 | 165.7 | 174.8 | 0 | 0 | 0 | 0 | 108.1 | F242 R246 | F242-V244 PolarHBondContact O-N 3.31Å; V244-R246 WeakPolarHBondContact CG1-O 3.47Å; V244-R246 PolarHBondContact O-N 3.1Å; V244-R246 VanDerWaalsContact O-N 3.15Å | ||
| 245 | K | 68.1 | Low | 71.7 | Confident | 163 Ų | 163 | 122.8 Ų | 122.8 | 71% | 0.709 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -61.4 | -23.1 | -170.2 | -101.6 | -179.9 | 171.1 | 63 | 0 | 113.9 | E241 K243 | E241-K245 IonicContact OE2-NZ 3.92Å; E241-K245 PolarHBondContact OE2-NZ 3.23Å; K243-K245 VanDerWaalsContact C-N 3.26Å; K243-K245 PolarHBondContact O-N 2.83Å |
| 246 | R | 74.7 | Confident | 73.1 | Confident | 146 Ų | 146 | 124.5 Ų | 124.5 | 55% | 0.551 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -128 | 116.8 | 172.4 | -169 | -177.9 | 71.7 | 83.6 | -7.7 | 108.6 | V244 D250 | V244-R246 WeakPolarHBondContact CG1-O 3.47Å; V244-R246 PolarHBondContact O-N 3.1Å; V244-R246 VanDerWaalsContact O-N 3.15Å; R246-D250 HydrophobicContact CG-CB 3.72Å; R246-D250 WeakPolarHBondContact CG-OD2 3.5Å |
| 247 | R | 76.6 | Confident | 74.5 | Confident | 157 Ų | 157 | 126.7 Ų | 126.7 | 59% | 0.592 | 64% | 0.643 | S | S | * | * | trans | -67.1 | 155.9 | 175.9 | -66.2 | 178.2 | 59.3 | 95.3 | 4.3 | 110.2 | D249 D250 | R247-D249 HydrophobicContact CB-CB 4.44Å; R247-D249 IonicContact CZ-OD2 3.6Å; R247-D249 IonicContact NE-OD2 3.78Å; R247-D249 PolarHBondContact NE-OD2 2.78Å; R247-D249 IonicContact NH2-OD2 2.67Å; R247-D249 PolarHBondContact NH2-OD2 3.42Å; R247-D249 PolarHBondContact O-N 3.01Å; R247-D250 HydrophobicContact CB-CB 4.41Å; R247-D250 VanDerWaalsContact O-CB 3.23Å; R247-D250 WeakPolarHBondContact O-CB 3.37Å; R247-D250 PolarHBondContact O-N 2.83Å | ||
| 248 | W | 85.1 | Confident | 75.8 | Confident | 210 Ų | 210 | 124.9 Ų | 124.9 | 80% | 0.795 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -36.9 | 173.8 | 69.9 | -84.1 | 0 | 0 | 0 | 111.7 | D250 | W248-D250 PolarHBondContact O-N 2.91Š|
| 249 | D | 84.2 | Confident | 77.2 | Confident | 54 Ų | 54 | 127.8 Ų | 127.8 | 29% | 0.289 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.2 | -23.4 | 174.6 | -58.4 | -70 | 0 | 0 | 0 | 115 | R247 D251 V252 K255 | R247-D249 HydrophobicContact CB-CB 4.44Å; R247-D249 IonicContact CZ-OD2 3.6Å; R247-D249 IonicContact NE-OD2 3.78Å; R247-D249 PolarHBondContact NE-OD2 2.78Å; R247-D249 IonicContact NH2-OD2 2.67Å; R247-D249 PolarHBondContact NH2-OD2 3.42Å; R247-D249 PolarHBondContact O-N 3.01Å; D249-D251 PolarHBondContact O-N 2.89Å; D249-V252 WeakPolarHBondContact O-CB 3.43Å; D249-V252 WeakPolarHBondContact O-CG2 3.39Å; D249-V252 PolarHBondContact O-N 3.43Å; D249-K255 PolarHBondContact O-NZ 2.72Å |
| 250 | D | 83.5 | Confident | 78.6 | Confident | 94 Ų | 94 | 126.5 Ų | 126.5 | 50% | 0.503 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.4 | -34.8 | -151.8 | -150.2 | 23.8 | 0 | 0 | 0 | 112.8 | R246 R247 W248 V252 K255 | R246-D250 HydrophobicContact CG-CB 3.72Å; R246-D250 WeakPolarHBondContact CG-OD2 3.5Å; R247-D250 HydrophobicContact CB-CB 4.41Å; R247-D250 VanDerWaalsContact O-CB 3.23Å; R247-D250 WeakPolarHBondContact O-CB 3.37Å; R247-D250 PolarHBondContact O-N 2.83Å; W248-D250 PolarHBondContact O-N 2.91Å; D250-V252 VanDerWaalsContact C-N 3.31Å; D250-V252 PolarHBondContact O-N 3.39Å; D250-K255 VanDerWaalsContact C-NZ 3.32Å; D250-K255 PolarHBondContact O-NZ 2.98Å |
| 251 | D | 87.6 | Confident | 80 | Confident | 129 Ų | 129 | 127.6 Ų | 127.6 | 69% | 0.69 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -2.4 | -177.8 | -157.6 | 25.9 | 0 | 0 | 0 | 113.8 | D249 V253 | D249-D251 PolarHBondContact O-N 2.89Å; D251-V253 PolarHBondContact O-N 3Å |
| 252 | V | 89.5 | Confident | 81.1 | Confident | 78 Ų | 78 | 128.4 Ų | 128.4 | 47% | 0.473 | 64% | 0.639 | S | S | . | * | trans | -73.2 | 111 | 179.1 | -176.2 | 0 | 0 | 0 | 0 | 110.3 | D249 D250 F254 K255 | D249-V252 WeakPolarHBondContact O-CB 3.43Å; D249-V252 WeakPolarHBondContact O-CG2 3.39Å; D249-V252 PolarHBondContact O-N 3.43Å; D250-V252 VanDerWaalsContact C-N 3.31Å; D250-V252 PolarHBondContact O-N 3.39Å; V252-F254 WeakPolarHBondContact CG1-O 3.47Å; V252-F254 PolarHBondContact O-N 2.87Å; V252-F254 VanDerWaalsContact O-N 3.1Å; V252-K255 WeakPolarHBondContact O-CD 3.07Å; V252-K255 VanDerWaalsContact O-CE 3.26Å; V252-K255 WeakPolarHBondContact O-CE 3.34Å; V252-K255 PolarHBondContact O-NZ 2.97Å | ||
| 253 | V | 88.8 | Confident | 82.2 | Confident | 127 Ų | 127 | 122.9 Ų | 122.9 | 77% | 0.77 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -60.9 | -19.9 | -174.4 | -62.4 | 0 | 0 | 0 | 0 | 115.7 | D251 | D251-V253 PolarHBondContact O-N 3Š|
| 254 | F | 89.2 | Confident | 82.6 | Confident | 159 Ų | 159 | 120 Ų | 120 | 70% | 0.697 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -113.8 | 123.3 | 175.6 | -64.1 | -63.6 | 0 | 0 | 0 | 111 | V252 | V252-F254 WeakPolarHBondContact CG1-O 3.47Å; V252-F254 PolarHBondContact O-N 2.87Å; V252-F254 VanDerWaalsContact O-N 3.1Å |
| 255 | K | 88.7 | Confident | 82.9 | Confident | 105 Ų | 105 | 117.6 Ų | 117.6 | 46% | 0.457 | 59% | 0.593 | S | S | . | * | trans | -113.4 | 126.6 | 178.4 | -53 | -57.9 | -165 | -151.8 | 0 | 111.3 | D249 D250 V252 C257 | D249-K255 PolarHBondContact O-NZ 2.72Å; D250-K255 VanDerWaalsContact C-NZ 3.32Å; D250-K255 PolarHBondContact O-NZ 2.98Å; V252-K255 WeakPolarHBondContact O-CD 3.07Å; V252-K255 VanDerWaalsContact O-CE 3.26Å; V252-K255 WeakPolarHBondContact O-CE 3.34Å; V252-K255 PolarHBondContact O-NZ 2.97Å; K255-C257 VanDerWaalsContact C-N 3.35Å; K255-C257 PolarHBondContact O-N 3.35Å; K255-C257 VanDerWaalsContact O-N 3.15Å | ||
| 256 | N | 87.1 | Confident | 82.9 | Confident | 112 Ų | 112 | 116.1 Ų | 116.1 | 60% | 0.599 | 59% | 0.587 | S | S | * | * | trans | 52.1 | 38.8 | 161.6 | -58.1 | 111.4 | 0 | 0 | 0 | 116.4 | A258 R259 | N256-A258 VanDerWaalsContact C-N 3.29Å; N256-A258 PolarHBondContact O-N 3.33Å; N256-A258 VanDerWaalsContact O-N 3.12Å; N256-R259 HydrophobicContact CB-CB 3.86Å; N256-R259 WeakPolarHBondContact O-CB 3.21Å; N256-R259 PolarHBondContact O-N 3.44Å | ||
| 257 | C | 88.6 | Confident | 82.7 | Confident | 112 Ų | 112 | 118.4 Ų | 118.4 | 76% | 0.757 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | -36.7 | -169.7 | -52.7 | 0 | 0 | 0 | 0 | 115.1 | K255 | K255-C257 VanDerWaalsContact C-N 3.35Å; K255-C257 PolarHBondContact O-N 3.35Å; K255-C257 VanDerWaalsContact O-N 3.15Å |
| 258 | A | 87 | Confident | 83 | Confident | 64 Ų | 64 | 113.1 Ų | 113.1 | 53% | 0.529 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.8 | 8.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N256 G260 E261 | N256-A258 VanDerWaalsContact C-N 3.29Å; N256-A258 PolarHBondContact O-N 3.33Å; N256-A258 VanDerWaalsContact O-N 3.12Å; A258-G260 PolarHBondContact O-N 3Å; A258-E261 HydrophobicContact CB-CB 4.43Å; A258-E261 WeakPolarHBondContact O-CB 3.33Å; A258-E261 PolarHBondContact O-N 3Å |
| 259 | R | 87.5 | Confident | 83.3 | Confident | 207 Ų | 207 | 111.3 Ų | 111.3 | 78% | 0.781 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 97.9 | -172.7 | -177.2 | 173.5 | 65.8 | 139.9 | -3 | 111.7 | N256 | N256-R259 HydrophobicContact CB-CB 3.86Å; N256-R259 WeakPolarHBondContact O-CB 3.21Å; N256-R259 PolarHBondContact O-N 3.44Å |
| 260 | G | 85.4 | Confident | 83.6 | Confident | 70 Ų | 70 | 111.5 Ų | 111.5 | 72% | 0.722 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 107.6 | 5.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A258 V262 | A258-G260 PolarHBondContact O-N 3Å; G260-V262 PolarHBondContact O-N 3.36Å |
| 261 | E | 84.3 | Confident | 84.1 | Confident | 133 Ų | 133 | 114.4 Ų | 114.4 | 62% | 0.621 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 118.9 | 167.5 | -173.4 | 169.1 | -173.4 | 0 | 0 | 109.5 | A258 | A258-E261 HydrophobicContact CB-CB 4.43Å; A258-E261 WeakPolarHBondContact O-CB 3.33Å; A258-E261 PolarHBondContact O-N 3Å |
| 262 | V | 79.7 | Confident | 84.4 | Confident | 109 Ų | 109 | 110.1 Ų | 110.1 | 66% | 0.661 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 119.8 | 175.1 | 178.9 | 0 | 0 | 0 | 0 | 107.7 | G260 H264 | G260-V262 PolarHBondContact O-N 3.36Å; V262-H264 PolarHBondContact O-N 2.93Å; V262-H264 VanDerWaalsContact O-N 3.09Å |
| 263 | D | 78.5 | Confident | 84.6 | Confident | 91 Ų | 91 | 112.2 Ų | 112.2 | 49% | 0.487 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -49.1 | 117.3 | 176.5 | 175.5 | 18.8 | 0 | 0 | 0 | 110.5 | V265 | D263-V265 VanDerWaalsContact OD1-CB 3.27Å; D263-V265 WeakPolarHBondContact OD1-CB 3.28Å; D263-V265 VanDerWaalsContact OD1-CG2 3.27Å; D263-V265 WeakPolarHBondContact OD1-CG2 3.29Å; D263-V265 PolarHBondContact OD1-N 3.04Å |
| 264 | H | 73.8 | Confident | 84.9 | Confident | 86 Ų | 86 | 111.6 Ų | 111.6 | 40% | 0.398 | 59% | 0.588 | S | S | . | * | trans | -92.7 | -5.1 | -174.9 | 56.4 | -92.6 | 0 | 0 | 0 | 113.3 | V262 K266 R267 | V262-H264 PolarHBondContact O-N 2.93Å; V262-H264 VanDerWaalsContact O-N 3.09Å; H264-K266 PolarHBondContact O-N 3.19Å; H264-K266 VanDerWaalsContact O-N 3.14Å; H264-R267 HydrophobicContact CB-CG 4.18Å; H264-R267 VanDerWaalsContact CB-NE 3.3Å; H264-R267 WeakPolarHBondContact O-CB 3.44Å; H264-R267 WeakPolarHBondContact O-CG 3.21Å; H264-R267 PolarHBondContact O-N 3.15Å; H264-R267 VanDerWaalsContact O-N 3.16Å | ||
| 265 | V | 72.1 | Confident | 85 | Confident | 63 Ų | 63 | 112.1 Ų | 112.1 | 38% | 0.382 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.2 | -23.2 | 174.9 | 176.8 | 0 | 0 | 0 | 0 | 111.7 | D263 | D263-V265 VanDerWaalsContact OD1-CB 3.27Å; D263-V265 WeakPolarHBondContact OD1-CB 3.28Å; D263-V265 VanDerWaalsContact OD1-CG2 3.27Å; D263-V265 WeakPolarHBondContact OD1-CG2 3.29Å; D263-V265 PolarHBondContact OD1-N 3.04Å |
| 266 | K | 69.3 | Low | 85.1 | Confident | 133 Ų | 133 | 108.2 Ų | 108.2 | 58% | 0.578 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | 16.1 | 179.4 | -54.4 | -170.5 | -176.8 | -170.8 | 0 | 114.8 | N81 H264 G268 | N81-K266 PolarHBondContact OD1-NZ 2.88Å; H264-K266 PolarHBondContact O-N 3.19Å; H264-K266 VanDerWaalsContact O-N 3.14Å; K266-G268 PolarHBondContact O-N 2.86Å |
| 267 | R | 70.9 | Confident | 85.3 | Confident | 194 Ų | 194 | 105.1 Ų | 105.1 | 73% | 0.732 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -76.1 | 20.6 | -177.6 | -73.2 | -174.3 | -170.2 | -178.6 | 9.9 | 116 | H264 | H264-R267 HydrophobicContact CB-CG 4.18Å; H264-R267 VanDerWaalsContact CB-NE 3.3Å; H264-R267 WeakPolarHBondContact O-CB 3.44Å; H264-R267 WeakPolarHBondContact O-CG 3.21Å; H264-R267 PolarHBondContact O-N 3.15Å; H264-R267 VanDerWaalsContact O-N 3.16Å |
| 268 | G | 82.4 | Confident | 85.5 | Confident | 45 Ų | 45 | 107.1 Ų | 107.1 | 46% | 0.464 | 55% | 0.55 | S | S | . | . | trans | 95.7 | 173.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | K266 | K266-G268 PolarHBondContact O-N 2.86Š| ||
| 269 | F | 90 | Very high | 85.9 | Confident | 173 Ų | 173 | 106.2 Ų | 106.2 | 76% | 0.759 | 53% | 0.534 | S | S | * | . | trans | -74.3 | 142.1 | 177.3 | 177.7 | -102.3 | 0 | 0 | 0 | 111.4 | N271 | F269-N271 HydrophobicContact CE1-CB 3.9Š| ||
| 270 | V | 91.4 | Very high | 86.1 | Confident | 57 Ų | 57 | 101 Ų | 101 | 35% | 0.345 | 52% | 0.518 | S | S | . | . | trans | -121.8 | 114.9 | 176.6 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | D272 R275 | V270-D272 HydrophobicContact CG1-CB 3.9Å; V270-D272 PolarHBondContact O-N 3.09Å; V270-R275 HydrophobicContact CG1-CB 4.46Å | ||
| 271 | N | 93.4 | Very high | 86.5 | Confident | 155 Ų | 155 | 103.3 Ų | 103.3 | 83% | 0.829 | 51% | 0.508 | S | S | * | . | trans | -76.3 | 61.2 | 177.5 | -168.6 | 11.9 | 0 | 0 | 0 | 111.8 | F269 | F269-N271 HydrophobicContact CE1-CB 3.9Š| ||
| 272 | D | 94.5 | Very high | 87 | Confident | 39 Ų | 39 | 101.1 Ų | 101.1 | 21% | 0.209 | 50% | 0.496 | C | S | . | . | trans | -152.9 | 118.8 | -178.4 | -175.8 | -40.4 | 0 | 0 | 0 | 109.2 | V270 L274 R275 S276 | V270-D272 HydrophobicContact CG1-CB 3.9Å; V270-D272 PolarHBondContact O-N 3.09Å; D272-L274 PolarHBondContact O-N 2.85Å; D272-L274 WeakPolarHBondContact OD1-CA 3.27Å; D272-L274 PolarHBondContact OD1-N 2.73Å; D272-R275 HydrophobicContact CB-CB 3.96Å; D272-R275 PolarHBondContact OD1-N 2.83Å; D272-R275 WeakPolarHBondContact OD2-CD 3.38Å; D272-R275 VanDerWaalsContact OD2-CG 3.24Å; D272-R275 WeakPolarHBondContact OD2-CG 3.29Å; D272-R275 IonicContact OD2-CZ 2.76Å; D272-R275 IonicContact OD2-NE 2.78Å; D272-R275 IonicContact OD2-NH1 2.96Å; D272-R275 PolarHBondContact OD2-NH1 3.31Å; D272-S276 WeakPolarHBondContact O-CB 3.37Å; D272-S276 PolarHBondContact O-N 2.94Å | ||
| 273 | T | 94.5 | Very high | 87.8 | Confident | 122 Ų | 122 | 99.2 Ų | 99.2 | 75% | 0.748 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -14 | -175.7 | 53.4 | 0 | 0 | 0 | 0 | 114.4 | H279 | T273-H279 VanDerWaalsContact O-CB 3.29Å; T273-H279 WeakPolarHBondContact O-CB 3.41Å; T273-H279 PolarHBondContact O-ND1 2.92Å |
| 274 | L | 94.4 | Very high | 88.6 | Confident | 115 Ų | 115 | 103.8 Ų | 103.8 | 60% | 0.602 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | -31 | 178.1 | -57.5 | -178.5 | 0 | 0 | 0 | 112.5 | D272 H279 | D272-L274 PolarHBondContact O-N 2.85Å; D272-L274 WeakPolarHBondContact OD1-CA 3.27Å; D272-L274 PolarHBondContact OD1-N 2.73Å; L274-H279 PolarHBondContact O-CD2 2.93Å; L274-H279 VanDerWaalsContact O-CD2 3.31Å |
| 275 | R | 91.2 | Very high | 89.7 | Confident | 169 Ų | 169 | 107.1 Ų | 107.1 | 64% | 0.638 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -13 | -178.3 | -59.5 | -176.4 | 179.7 | 92.8 | -2.8 | 114.6 | V270 D272 K280 | V270-R275 HydrophobicContact CG1-CB 4.46Å; D272-R275 HydrophobicContact CB-CB 3.96Å; D272-R275 PolarHBondContact OD1-N 2.83Å; D272-R275 WeakPolarHBondContact OD2-CD 3.38Å; D272-R275 VanDerWaalsContact OD2-CG 3.24Å; D272-R275 WeakPolarHBondContact OD2-CG 3.29Å; D272-R275 IonicContact OD2-CZ 2.76Å; D272-R275 IonicContact OD2-NE 2.78Å; D272-R275 IonicContact OD2-NH1 2.96Å; D272-R275 PolarHBondContact OD2-NH1 3.31Å; R275-K280 VanDerWaalsContact O-CE 3.26Å; R275-K280 WeakPolarHBondContact O-CE 3.33Å; R275-K280 PolarHBondContact O-NZ 3.43Å |
| 276 | S | 92 | Very high | 90.9 | Very high | 23 Ų | 23 | 111 Ų | 111 | 16% | 0.161 | 52% | 0.518 | C | S | . | . | S | Bend | trans | -56.4 | 143.4 | 173.2 | 174.6 | 0 | 0 | 0 | 0 | 112.4 | D272 F278 H279 K280 | D272-S276 WeakPolarHBondContact O-CB 3.37Å; D272-S276 PolarHBondContact O-N 2.94Å; S276-F278 PolarHBondContact O-N 3.06Å; S276-F278 PolarHBondContact OG-N 3.07Å; S276-H279 PolarHBondContact O-N 2.88Å; S276-K280 PolarHBondContact O-N 3.48Å; S276-K280 VanDerWaalsContact O-N 3.1Å |
| 277 | E | 91 | Very high | 92.1 | Very high | 48 Ų | 48 | 109.9 Ų | 109.9 | 22% | 0.224 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -59.1 | -27.8 | 174.4 | -63.2 | -52.4 | 134.4 | 0 | 0 | 112.4 | K280 K281 | E277-K280 WeakPolarHBondContact OE1-CD 3.12Å; E277-K280 IonicContact OE1-NZ 3.57Å; E277-K280 PolarHBondContact OE1-NZ 2.85Å; E277-K280 WeakPolarHBondContact OE2-CD 3.48Å; E277-K281 WeakPolarHBondContact O-CB 3.47Å; E277-K281 WeakPolarHBondContact O-CG 3.48Å; E277-K281 PolarHBondContact O-N 2.8Å |
| 278 | F | 92.5 | Very high | 92.9 | Very high | 154 Ų | 154 | 113.2 Ų | 113.2 | 68% | 0.675 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.2 | -49.1 | 170.1 | 175.2 | -95.3 | 0 | 0 | 0 | 111.5 | S276 K281 F282 | S276-F278 PolarHBondContact O-N 3.06Å; S276-F278 PolarHBondContact OG-N 3.07Å; F278-K281 PolarHBondContact O-N 3.49Å; F278-F282 WeakPolarHBondContact O-CB 3.48Å; F278-F282 PolarHBondContact O-N 3.4Å |
| 279 | H | 94.4 | Very high | 93.4 | Very high | 44 Ų | 44 | 116.7 Ų | 116.7 | 20% | 0.204 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -67.9 | -39.8 | -178.7 | -169.4 | 93.8 | 0 | 0 | 0 | 112.1 | T273 L274 S276 F282 M283 | T273-H279 VanDerWaalsContact O-CB 3.29Å; T273-H279 WeakPolarHBondContact O-CB 3.41Å; T273-H279 PolarHBondContact O-ND1 2.92Å; L274-H279 PolarHBondContact O-CD2 2.93Å; L274-H279 VanDerWaalsContact O-CD2 3.31Å; S276-H279 PolarHBondContact O-N 2.88Å; H279-F282 PolarHBondContact O-N 3.24Å; H279-M283 WeakPolarHBondContact CE1-CE 3.16Å; H279-M283 WeakPolarHBondContact NE2-CE 3.47Å; H279-M283 WeakPolarHBondContact O-CG 3.41Å; H279-M283 PolarHBondContact O-N 3.21Å |
| 280 | K | 92.9 | Very high | 93.6 | Very high | 99 Ų | 99 | 113.7 Ų | 113.7 | 43% | 0.43 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 173.8 | -69 | 165.3 | 177.1 | 148.1 | 0 | 111.7 | R275 S276 E277 K284 | R275-K280 VanDerWaalsContact O-CE 3.26Å; R275-K280 WeakPolarHBondContact O-CE 3.33Å; R275-K280 PolarHBondContact O-NZ 3.43Å; S276-K280 PolarHBondContact O-N 3.48Å; S276-K280 VanDerWaalsContact O-N 3.1Å; E277-K280 WeakPolarHBondContact OE1-CD 3.12Å; E277-K280 IonicContact OE1-NZ 3.57Å; E277-K280 PolarHBondContact OE1-NZ 2.85Å; E277-K280 WeakPolarHBondContact OE2-CD 3.48Å; K280-K284 VanDerWaalsContact O-CB 3.28Å; K280-K284 WeakPolarHBondContact O-CB 3.45Å; K280-K284 PolarHBondContact O-N 3.2Å |
| 281 | K | 93.4 | Very high | 93.7 | Very high | 118 Ų | 118 | 116.8 Ų | 116.8 | 51% | 0.513 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 175.4 | -73.6 | 172.6 | -177.7 | -178.2 | 0 | 111.7 | E277 F278 K284 K285 | E277-K281 WeakPolarHBondContact O-CB 3.47Å; E277-K281 WeakPolarHBondContact O-CG 3.48Å; E277-K281 PolarHBondContact O-N 2.8Å; F278-K281 PolarHBondContact O-N 3.49Å; K281-K284 PolarHBondContact O-N 3.06Å; K281-K285 WeakPolarHBondContact O-CB 3.43Å; K281-K285 PolarHBondContact O-N 2.81Å |
| 282 | F | 95.2 | Very high | 93.7 | Very high | 86 Ų | 86 | 114.6 Ų | 114.6 | 38% | 0.377 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.6 | -54.4 | 176.1 | 178.4 | -85.7 | 0 | 0 | 0 | 111.3 | F278 H279 K284 K285 Y286 | F278-F282 WeakPolarHBondContact O-CB 3.48Å; F278-F282 PolarHBondContact O-N 3.4Å; H279-F282 PolarHBondContact O-N 3.24Å; F282-K284 VanDerWaalsContact C-N 3.31Å; F282-K284 PolarHBondContact O-N 3.3Å; F282-K285 PolarHBondContact O-N 2.69Å; F282-Y286 HydrophobicContact CD1-CD2 4.2Å; F282-Y286 AromaticContact CD2-CD2 3.52Å; F282-Y286 HydrophobicContact CD2-CD2 3.52Å; F282-Y286 AromaticContact CD2-CE2 3.58Å; F282-Y286 HydrophobicContact CD2-CE2 3.58Å; F282-Y286 HydrophobicContact CE1-CD2 4.14Å; F282-Y286 AromaticContact CE2-CD2 3.45Å; F282-Y286 HydrophobicContact CE2-CD2 3.45Å; F282-Y286 VanDerWaalsContact CE2-CD2 3.45Å; F282-Y286 AromaticContact CE2-CE2 3.56Å; F282-Y286 HydrophobicContact CE2-CE2 3.56Å; F282-Y286 HydrophobicContact CE2-CG 4.37Å; F282-Y286 AromaticContact CG-CD2 3.89Å; F282-Y286 HydrophobicContact CG-CD2 3.89Å; F282-Y286 HydrophobicContact CG-CE2 4.34Å; F282-Y286 AromaticContact CZ-CD2 3.77Å; F282-Y286 HydrophobicContact CZ-CD2 3.77Å; F282-Y286 HydrophobicContact CZ-CE2 4.31Å; F282-Y286 HydrophobicContact CZ-CG 4.33Å; F282-Y286 VanDerWaalsContact O-CD2 3.29Å; F282-Y286 WeakPolarHBondContact O-CD2 3.45Å; F282-Y286 PolarHBondContact O-N 3Å |
| 283 | M | 96.6 | Very high | 93.6 | Very high | 69 Ų | 69 | 119.3 Ų | 119.3 | 34% | 0.34 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.8 | -36.9 | -179.1 | -67 | -58.8 | 172.9 | 0 | 0 | 112 | H279 K285 I287 | H279-M283 WeakPolarHBondContact CE1-CE 3.16Å; H279-M283 WeakPolarHBondContact NE2-CE 3.47Å; H279-M283 WeakPolarHBondContact O-CG 3.41Å; H279-M283 PolarHBondContact O-N 3.21Å; M283-K285 VanDerWaalsContact C-N 3.26Å; M283-K285 PolarHBondContact O-N 3.34Å; M283-I287 HydrophobicContact CB-CD1 4.45Å; M283-I287 WeakPolarHBondContact O-CB 3.14Å; M283-I287 PolarHBondContact O-N 3.24Å; M283-I287 HydrophobicContact SD-CD1 3.6Å; M283-I287 VanDerWaalsContact SD-CD1 3.6Å; M283-I287 HydrophobicContact SD-CG1 4.27Å |
| 284 | K | 94.9 | Very high | 93.6 | Very high | 187 Ų | 187 | 119.1 Ų | 119.1 | 81% | 0.813 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66 | -22.6 | 172.1 | -175.8 | 177.2 | 176.9 | -175.8 | 0 | 114 | K280 K281 F282 | K280-K284 VanDerWaalsContact O-CB 3.28Å; K280-K284 WeakPolarHBondContact O-CB 3.45Å; K280-K284 PolarHBondContact O-N 3.2Å; K281-K284 PolarHBondContact O-N 3.06Å; F282-K284 VanDerWaalsContact C-N 3.31Å; F282-K284 PolarHBondContact O-N 3.3Å |
| 285 | K | 96.4 | Very high | 93.5 | Very high | 157 Ų | 157 | 119.4 Ų | 119.4 | 68% | 0.683 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -89.1 | -35.1 | 178.7 | -176 | 177.7 | 178.5 | -175 | 0 | 112.6 | K281 F282 M283 | K281-K285 WeakPolarHBondContact O-CB 3.43Å; K281-K285 PolarHBondContact O-N 2.81Å; F282-K285 PolarHBondContact O-N 2.69Å; M283-K285 VanDerWaalsContact C-N 3.26Å; M283-K285 PolarHBondContact O-N 3.34Å |
| 286 | Y | 97.4 | Very high | 93.7 | Very high | 143 Ų | 143 | 115.6 Ų | 115.6 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -109.4 | -5.4 | -170.5 | -65.7 | -72.8 | 0 | 0 | 0 | 115 | F282 | F282-Y286 HydrophobicContact CD1-CD2 4.2Å; F282-Y286 AromaticContact CD2-CD2 3.52Å; F282-Y286 HydrophobicContact CD2-CD2 3.52Å; F282-Y286 AromaticContact CD2-CE2 3.58Å; F282-Y286 HydrophobicContact CD2-CE2 3.58Å; F282-Y286 HydrophobicContact CE1-CD2 4.14Å; F282-Y286 AromaticContact CE2-CD2 3.45Å; F282-Y286 HydrophobicContact CE2-CD2 3.45Å; F282-Y286 VanDerWaalsContact CE2-CD2 3.45Å; F282-Y286 AromaticContact CE2-CE2 3.56Å; F282-Y286 HydrophobicContact CE2-CE2 3.56Å; F282-Y286 HydrophobicContact CE2-CG 4.37Å; F282-Y286 AromaticContact CG-CD2 3.89Å; F282-Y286 HydrophobicContact CG-CD2 3.89Å; F282-Y286 HydrophobicContact CG-CE2 4.34Å; F282-Y286 AromaticContact CZ-CD2 3.77Å; F282-Y286 HydrophobicContact CZ-CD2 3.77Å; F282-Y286 HydrophobicContact CZ-CE2 4.31Å; F282-Y286 HydrophobicContact CZ-CG 4.33Å; F282-Y286 VanDerWaalsContact O-CD2 3.29Å; F282-Y286 WeakPolarHBondContact O-CD2 3.45Å; F282-Y286 PolarHBondContact O-N 3Å |
| 287 | I | 93.9 | Very high | 93.9 | Very high | 110 Ų | 110 | 123.3 Ų | 123.3 | 56% | 0.564 | 55% | 0.552 | S | S | * | * | trans | -118.7 | 136.6 | 171.3 | -53.1 | -179.2 | 0 | 0 | 0 | 108.5 | M283 | M283-I287 HydrophobicContact CB-CD1 4.45Å; M283-I287 WeakPolarHBondContact O-CB 3.14Å; M283-I287 PolarHBondContact O-N 3.24Å; M283-I287 HydrophobicContact SD-CD1 3.6Å; M283-I287 VanDerWaalsContact SD-CD1 3.6Å; M283-I287 HydrophobicContact SD-CG1 4.27Å | ||
| 288 | Q | 87.7 | Confident | 94.1 | Very high | 265 Ų | 265 | 130.2 Ų | 130.2 | 100% | 1.238 | 58% | 0.582 | S | S | * | * | trans | -102.4 | 0 | 176.6 | -65.5 | -177.9 | -7.9 | 0 | 0 | 110.8 |
Retrieved 288 of 288 residues in 86.8 ms
(Link to these results)