| 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 | 37.1 | Very low | 67.8 | Low | 237 Ų | 237 | 119.1 Ų | 119.1 | 100% | 1.167 | 61% | 0.612 | S | S | * | * | 0 | 95.3 | 0 | -50.3 | -58.1 | 167.2 | 0 | 0 | 106 | |||||
| 2 | S | 41 | Very low | 69.8 | Low | 111 Ų | 111 | 109.2 Ų | 109.2 | 78% | 0.776 | 56% | 0.561 | S | S | * | * | cis | -151.7 | 136.6 | 28.9 | -60.5 | 0 | 0 | 0 | 0 | 108.4 | N4 | S2-N4 PolarHBondContact O-N 2.94Š| ||
| 3 | N | 47 | Very low | 71.4 | Confident | 138 Ų | 138 | 110.2 Ų | 110.2 | 74% | 0.738 | 56% | 0.562 | S | S | * | * | trans | -21.8 | 101.9 | 175.8 | -73.3 | -10.6 | 0 | 0 | 0 | 117.2 | Q5 | N3-Q5 HydrophobicContact CB-CB 4.46Å; N3-Q5 HydrophobicContact CB-CG 3.66Å; N3-Q5 PolarHBondContact O-N 2.69Å | ||
| 4 | N | 50.5 | Low | 72.8 | Confident | 171 Ų | 171 | 104.7 Ų | 104.7 | 91% | 0.914 | 53% | 0.534 | S | S | * | . | trans | -74.4 | 52.8 | 158.1 | -81.2 | -9.4 | 0 | 0 | 0 | 110.2 | S2 N6 | S2-N4 PolarHBondContact O-N 2.94Å; N4-N6 PolarHBondContact O-N 3.1Å | ||
| 5 | Q | 60.2 | Low | 73.9 | Confident | 144 Ų | 144 | 98.9 Ų | 98.9 | 67% | 0.673 | 50% | 0.504 | S | S | * | . | trans | -65.7 | 121 | 171.8 | -71.7 | -93.3 | -20.6 | 0 | 0 | 107 | N3 I7 | N3-Q5 HydrophobicContact CB-CB 4.46Å; N3-Q5 HydrophobicContact CB-CG 3.66Å; N3-Q5 PolarHBondContact O-N 2.69Å; Q5-I7 PolarHBondContact O-N 2.87Å | ||
| 6 | N | 74.8 | Confident | 74.8 | Confident | 161 Ų | 161 | 98.7 Ų | 98.7 | 86% | 0.861 | 50% | 0.5 | S | S | * | . | trans | -37.9 | 101.5 | -179.5 | -157.9 | -1.3 | 0 | 0 | 0 | 111 | N4 P8 | N4-N6 PolarHBondContact O-N 3.1Å; N6-P8 VanDerWaalsContact O-CD 3.31Å; N6-P8 WeakPolarHBondContact O-CD 3.32Å | ||
| 7 | I | 79.5 | Confident | 75.6 | Confident | 100 Ų | 100 | 96.6 Ų | 96.6 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | trans | -67.9 | 117.2 | -173.3 | -62.4 | 171.2 | 0 | 0 | 0 | 107.1 | Q5 R9 Y25 T28 | Q5-I7 PolarHBondContact O-N 2.87Å; I7-R9 PolarHBondContact O-N 3.11Å; I7-Y25 HydrophobicContact CG2-CD2 4.34Å; I7-Y25 HydrophobicContact CG2-CE2 4.4Å; I7-T28 HydrophobicContact CG2-CG2 3.56Å | ||
| 8 | P | 83.4 | Confident | 76.3 | Confident | 47 Ų | 47 | 97.8 Ų | 97.8 | 31% | 0.305 | 51% | 0.506 | S | S | . | . | trans | -61.6 | 136.3 | -178.9 | 22.7 | -30.8 | 0 | 0 | 0 | 109.7 | N6 I10 F20 T28 | N6-P8 VanDerWaalsContact O-CD 3.31Å; N6-P8 WeakPolarHBondContact O-CD 3.32Å; P8-I10 HydrophobicContact CB-CD1 4.41Å; P8-I10 HydrophobicContact CB-CG1 4.24Å; P8-I10 HydrophobicContact CG-CD1 4.09Å; P8-I10 HydrophobicContact CG-CG1 4.43Å; P8-I10 PolarHBondContact O-N 2.96Å; P8-F20 HydrophobicContact CB-CD1 4.16Å; P8-F20 HydrophobicContact CB-CE1 3.79Å; P8-T28 WeakPolarHBondContact O-CB 3.45Å; P8-T28 WeakPolarHBondContact O-CG2 3.29Å; P8-T28 PolarHBondContact O-OG1 3.31Å | ||
| 9 | R | 88.4 | Confident | 76.8 | Confident | 186 Ų | 186 | 99.8 Ų | 99.8 | 70% | 0.702 | 51% | 0.513 | S | S | * | . | trans | -80.5 | 99.1 | 178.9 | -173.5 | 179.4 | 176.8 | -160.7 | -1.6 | 110 | I7 N14 T28 | I7-R9 PolarHBondContact O-N 3.11Å; R9-N14 PolarHBondContact O-ND2 3.46Å; R9-T28 WeakPolarHBondContact CA-OG1 3.4Å | ||
| 10 | I | 91.4 | Very high | 77.4 | Confident | 2 Ų | 2 | 96.3 Ų | 96.3 | 1% | 0.01 | 49% | 0.494 | C | S | . | . | trans | -112.7 | 119.9 | -177.3 | -50 | 170.2 | 0 | 0 | 0 | 108.4 | P8 N14 F15 F20 S23 Y25 V26 L27 T28 S29 | P8-I10 HydrophobicContact CB-CD1 4.41Å; P8-I10 HydrophobicContact CB-CG1 4.24Å; P8-I10 HydrophobicContact CG-CD1 4.09Å; P8-I10 HydrophobicContact CG-CG1 4.43Å; P8-I10 PolarHBondContact O-N 2.96Å; I10-N14 VanDerWaalsContact CA-OD1 3.31Å; I10-N14 WeakPolarHBondContact CA-OD1 3.37Å; I10-F15 HydrophobicContact CG2-CB 3.61Å; I10-F20 HydrophobicContact CD1-CB 4.07Å; I10-F20 HydrophobicContact CD1-CD1 3.9Å; I10-F20 HydrophobicContact CD1-CG 4Å; I10-F20 HydrophobicContact CG1-CB 4.39Å; I10-F20 HydrophobicContact CG1-CD1 3.73Å; I10-F20 HydrophobicContact CG1-CD2 4.18Å; I10-F20 HydrophobicContact CG1-CE1 4.01Å; I10-F20 HydrophobicContact CG1-CE2 4.41Å; I10-F20 HydrophobicContact CG1-CG 3.83Å; I10-F20 HydrophobicContact CG1-CZ 4.33Å; I10-F20 HydrophobicContact CG2-CD2 4.34Å; I10-S23 WeakPolarHBondContact CD1-OG 3.35Å; I10-Y25 WeakPolarHBondContact CD1-O 3.3Å; I10-V26 WeakPolarHBondContact CG2-O 3.25Å; I10-L27 HydrophobicContact CG2-CD2 4.43Å; I10-T28 HydrophobicContact CD1-CG2 4.48Å; I10-T28 PolarHBondContact N-OG1 3.33Å; I10-T28 PolarHBondContact O-N 3.44Å; I10-S29 WeakPolarHBondContact O-CB 3.23Å; I10-S29 PolarHBondContact O-N 3.19Å | ||
| 11 | D | 92.2 | Very high | 77.7 | Confident | 13 Ų | 13 | 96.8 Ų | 96.8 | 7% | 0.07 | 50% | 0.501 | C | S | . | . | trans | -126.3 | 174.9 | 179.9 | 69 | 21 | 0 | 0 | 0 | 111.9 | E13 N14 F15 S32 R88 | D11-E13 PolarHBondContact O-N 2.85Å; D11-E13 WeakPolarHBondContact OD1-CB 3.37Å; D11-E13 PolarHBondContact OD1-N 3.13Å; D11-N14 PolarHBondContact N-OD1 2.87Å; D11-N14 PolarHBondContact O-N 3.41Å; D11-N14 PolarHBondContact O-OD1 2.92Å; D11-N14 VanDerWaalsContact OD1-CG 3.23Å; D11-N14 PolarHBondContact OD1-N 3.48Å; D11-N14 PolarHBondContact OD1-OD1 3.35Å; D11-N14 VanDerWaalsContact OD1-OD1 3.13Å; D11-F15 VanDerWaalsContact O-CB 3.29Å; D11-F15 WeakPolarHBondContact O-CB 3.46Å; D11-F15 PolarHBondContact O-N 2.85Å; D11-S32 WeakPolarHBondContact CA-OG 3.03Å; D11-S32 WeakPolarHBondContact CB-OG 3.34Å; D11-R88 IonicContact OD2-CZ 3.34Å; D11-R88 IonicContact OD2-NH2 3.7Å; D11-R88 PolarHBondContact OD2-NH2 3.4Å | ||
| 12 | L | 92.6 | Very high | 79.9 | Confident | 0 Ų | 0 | 93.2 Ų | 93.2 | 0% | 0 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -9.6 | -176.8 | -70.2 | 162.7 | 0 | 0 | 0 | 114.5 | F15 L27 S32 A35 L46 L81 A84 R85 R88 | L12-F15 WeakPolarHBondContact O-CD1 3.28Å; L12-F15 WeakPolarHBondContact O-CE1 3.25Å; L12-L27 HydrophobicContact CD2-CD1 4.03Å; L12-L27 HydrophobicContact CD2-CD2 4.43Å; L12-L27 HydrophobicContact CG-CD1 4.43Å; L12-L27 HydrophobicContact CG-CD2 4.49Å; L12-S32 PolarHBondContact N-OG 2.85Å; L12-A35 HydrophobicContact CD1-CB 4.32Å; L12-L46 HydrophobicContact CD2-CD1 3.54Å; L12-L81 HydrophobicContact CD2-CD1 3.91Å; L12-A84 HydrophobicContact CD1-CB 3.75Å; L12-A84 WeakPolarHBondContact CD1-O 3.14Å; L12-A84 HydrophobicContact CD2-CB 3.98Å; L12-R85 HydrophobicContact CB-CG 3.96Å; L12-R85 PolarHBondContact O-NE 3.47Å; L12-R85 PolarHBondContact O-NH2 2.91Å; L12-R85 VanDerWaalsContact O-NH2 3.09Å; L12-R88 HydrophobicContact CD1-CB 4.03Å |
| 13 | E | 90.1 | Very high | 82.1 | Confident | 123 Ų | 123 | 89.7 Ų | 89.7 | 58% | 0.575 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -36.3 | 178.2 | -73.7 | 166.7 | 177.4 | 0 | 0 | 111.6 | D11 R88 | D11-E13 PolarHBondContact O-N 2.85Å; D11-E13 WeakPolarHBondContact OD1-CB 3.37Å; D11-E13 PolarHBondContact OD1-N 3.13Å; E13-R88 IonicContact OE1-CZ 2.74Å; E13-R88 IonicContact OE1-NH1 2.87Å; E13-R88 PolarHBondContact OE1-NH1 3.24Å; E13-R88 IonicContact OE2-CZ 3.52Å; E13-R88 IonicContact OE2-NH1 2.84Å; E13-R88 PolarHBondContact OE2-NH1 2.91Å; E13-R88 IonicContact OE2-NH2 3.72Å; E13-R88 PolarHBondContact OE2-NH2 3.33Å |
| 14 | N | 90.4 | Very high | 84.1 | Confident | 33 Ų | 33 | 92 Ų | 92 | 18% | 0.176 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -5.2 | -175.9 | 74.7 | 5.5 | 0 | 0 | 0 | 115.1 | R9 I10 D11 E16 D17 F20 | R9-N14 PolarHBondContact O-ND2 3.46Å; I10-N14 VanDerWaalsContact CA-OD1 3.31Å; I10-N14 WeakPolarHBondContact CA-OD1 3.37Å; D11-N14 PolarHBondContact N-OD1 2.87Å; D11-N14 PolarHBondContact O-N 3.41Å; D11-N14 PolarHBondContact O-OD1 2.92Å; D11-N14 VanDerWaalsContact OD1-CG 3.23Å; D11-N14 PolarHBondContact OD1-N 3.48Å; D11-N14 PolarHBondContact OD1-OD1 3.35Å; D11-N14 VanDerWaalsContact OD1-OD1 3.13Å; N14-E16 PolarHBondContact O-N 2.84Å; N14-E16 VanDerWaalsContact O-N 3.1Å; N14-D17 VanDerWaalsContact O-CB 3.29Å; N14-D17 WeakPolarHBondContact O-CB 3.49Å; N14-D17 VanDerWaalsContact O-CG 3.27Å; N14-D17 PolarHBondContact O-N 3.16Å; N14-F20 HydrophobicContact CB-CE2 4.24Å; N14-F20 WeakPolarHBondContact O-CD2 3.4Å |
| 15 | F | 89.9 | Confident | 86 | Confident | 18 Ų | 18 | 89 Ų | 89 | 8% | 0.079 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -18.1 | -174.9 | 82 | -72.4 | 0 | 0 | 0 | 115.5 | I10 D11 L12 D17 L27 L46 L81 | I10-F15 HydrophobicContact CG2-CB 3.61Å; D11-F15 VanDerWaalsContact O-CB 3.29Å; D11-F15 WeakPolarHBondContact O-CB 3.46Å; D11-F15 PolarHBondContact O-N 2.85Å; L12-F15 WeakPolarHBondContact O-CD1 3.28Å; L12-F15 WeakPolarHBondContact O-CE1 3.25Å; F15-D17 VanDerWaalsContact C-N 3.33Å; F15-L27 HydrophobicContact CB-CD2 4.11Å; F15-L46 HydrophobicContact CE2-CB 4.35Å; F15-L81 HydrophobicContact CD1-CD1 4.4Å; F15-L81 HydrophobicContact CE1-CD1 3.33Å; F15-L81 HydrophobicContact CE1-CD2 3.81Å; F15-L81 HydrophobicContact CE1-CG 4.17Å; F15-L81 HydrophobicContact CZ-CD1 3.42Å; F15-L81 VanDerWaalsContact CZ-CD1 3.42Å; F15-L81 HydrophobicContact CZ-CD2 3.64Å; F15-L81 HydrophobicContact CZ-CG 4.16Å |
| 16 | E | 88.2 | Confident | 87.4 | Confident | 95 Ų | 95 | 84.1 Ų | 84.1 | 44% | 0.444 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 1 | 176 | -64.9 | -176.9 | 154.2 | 0 | 0 | 112.6 | N14 R77 | N14-E16 PolarHBondContact O-N 2.84Å; N14-E16 VanDerWaalsContact O-N 3.1Å; E16-R77 IonicContact OE1-CZ 3.69Å; E16-R77 IonicContact OE1-NH1 2.61Å; E16-R77 PolarHBondContact OE1-NH1 3.47Å; E16-R77 IonicContact OE1-NH2 3.01Å; E16-R77 PolarHBondContact OE1-NH2 3.42Å |
| 17 | D | 88.1 | Confident | 88.3 | Confident | 64 Ų | 64 | 77.1 Ų | 77.1 | 34% | 0.342 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -68.5 | 139.8 | 179.4 | -68.9 | -18.9 | 0 | 0 | 0 | 111.3 | N14 F15 Q19 F20 | N14-D17 VanDerWaalsContact O-CB 3.29Å; N14-D17 WeakPolarHBondContact O-CB 3.49Å; N14-D17 VanDerWaalsContact O-CG 3.27Å; N14-D17 PolarHBondContact O-N 3.16Å; F15-D17 VanDerWaalsContact C-N 3.33Å; D17-Q19 HydrophobicContact CB-CG 3.86Å; D17-Q19 PolarHBondContact O-N 2.87Å; D17-Q19 PolarHBondContact OD2-NE2 2.64Å; D17-F20 HydrophobicContact CB-CD2 4.12Å; D17-F20 HydrophobicContact CB-CE2 4.39Å; D17-F20 PolarHBondContact O-N 2.81Å |
| 18 | P | 88.5 | Confident | 88.9 | Confident | 117 Ų | 117 | 73.9 Ų | 73.9 | 76% | 0.76 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -55.5 | -27.2 | -179.7 | -26.1 | 33.4 | 0 | 0 | 0 | 114.3 | F20 T21 | P18-F20 PolarHBondContact O-N 2.95Å; P18-T21 PolarHBondContact O-N 3.42Å; P18-T21 PolarHBondContact O-OG1 2.93Å |
| 19 | Q | 86.8 | Confident | 89.3 | Confident | 137 Ų | 137 | 72 Ų | 72 | 64% | 0.64 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -64.2 | -21.6 | 179.2 | 66 | -175.6 | -23.5 | 0 | 0 | 113.9 | D17 | D17-Q19 HydrophobicContact CB-CG 3.86Å; D17-Q19 PolarHBondContact O-N 2.87Å; D17-Q19 PolarHBondContact OD2-NE2 2.64Å |
| 20 | F | 86.9 | Confident | 89.5 | Confident | 29 Ų | 29 | 68 Ų | 68 | 13% | 0.127 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -108.9 | 1 | -178 | -54.6 | -54.1 | 0 | 0 | 0 | 113.7 | P8 I10 N14 D17 P18 D22 S23 | P8-F20 HydrophobicContact CB-CD1 4.16Å; P8-F20 HydrophobicContact CB-CE1 3.79Å; I10-F20 HydrophobicContact CD1-CB 4.07Å; I10-F20 HydrophobicContact CD1-CD1 3.9Å; I10-F20 HydrophobicContact CD1-CG 4Å; I10-F20 HydrophobicContact CG1-CB 4.39Å; I10-F20 HydrophobicContact CG1-CD1 3.73Å; I10-F20 HydrophobicContact CG1-CD2 4.18Å; I10-F20 HydrophobicContact CG1-CE1 4.01Å; I10-F20 HydrophobicContact CG1-CE2 4.41Å; I10-F20 HydrophobicContact CG1-CG 3.83Å; I10-F20 HydrophobicContact CG1-CZ 4.33Å; I10-F20 HydrophobicContact CG2-CD2 4.34Å; N14-F20 HydrophobicContact CB-CE2 4.24Å; N14-F20 WeakPolarHBondContact O-CD2 3.4Å; D17-F20 HydrophobicContact CB-CD2 4.12Å; D17-F20 HydrophobicContact CB-CE2 4.39Å; D17-F20 PolarHBondContact O-N 2.81Å; P18-F20 PolarHBondContact O-N 2.95Å; F20-D22 VanDerWaalsContact C-N 3.28Å; F20-D22 PolarHBondContact O-N 2.91Å; F20-S23 WeakPolarHBondContact O-CB 3.45Å; F20-S23 PolarHBondContact O-N 3.31Å; F20-S23 PolarHBondContact O-OG 3.39Å |
| 21 | T | 83.9 | Confident | 89.6 | Confident | 106 Ų | 106 | 71.8 Ų | 71.8 | 65% | 0.65 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -38.6 | -176.2 | -57.4 | 0 | 0 | 0 | 0 | 112.3 | P18 | P18-T21 PolarHBondContact O-N 3.42Å; P18-T21 PolarHBondContact O-OG1 2.93Å |
| 22 | D | 85.1 | Confident | 89.7 | Confident | 162 Ų | 162 | 71.1 Ų | 71.1 | 87% | 0.866 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 10.8 | 178.9 | -61.1 | -31.2 | 0 | 0 | 0 | 113.1 | F20 | F20-D22 VanDerWaalsContact C-N 3.28Å; F20-D22 PolarHBondContact O-N 2.91Å |
| 23 | S | 85.9 | Confident | 89.9 | Confident | 38 Ų | 38 | 74.6 Ų | 74.6 | 27% | 0.266 | 39% | 0.385 | S | S | . | . | trans | -76.1 | 146.8 | -179.1 | 77.1 | 0 | 0 | 0 | 0 | 111.7 | I10 F20 Y25 | I10-S23 WeakPolarHBondContact CD1-OG 3.35Å; F20-S23 WeakPolarHBondContact O-CB 3.45Å; F20-S23 PolarHBondContact O-N 3.31Å; F20-S23 PolarHBondContact O-OG 3.39Å; S23-Y25 PolarHBondContact O-N 3.21Å; S23-Y25 PolarHBondContact OG-O 2.79Å; S23-Y25 VanDerWaalsContact OG-O 3.06Å | ||
| 24 | K | 89.6 | Confident | 90.1 | Very high | 187 Ų | 187 | 71.7 Ų | 71.7 | 81% | 0.813 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -67.5 | -22.2 | -179 | -174.6 | 177.5 | 178.3 | -176.1 | 0 | 113.5 | ||
| 25 | Y | 89.7 | Confident | 90.3 | Very high | 108 Ų | 108 | 70.1 Ų | 70.1 | 42% | 0.424 | 36% | 0.363 | S | S | . | . | trans | -112.7 | 139.8 | -172.7 | -57.1 | -77.6 | 0 | 0 | 0 | 110.3 | I7 I10 S23 T28 | I7-Y25 HydrophobicContact CG2-CD2 4.34Å; I7-Y25 HydrophobicContact CG2-CE2 4.4Å; I10-Y25 WeakPolarHBondContact CD1-O 3.3Å; S23-Y25 PolarHBondContact O-N 3.21Å; S23-Y25 PolarHBondContact OG-O 2.79Å; S23-Y25 VanDerWaalsContact OG-O 3.06Å; Y25-T28 HydrophobicContact CD2-CG2 4.4Å; Y25-T28 HydrophobicContact CG-CG2 4.02Å | ||
| 26 | V | 90.8 | Very high | 90.6 | Very high | 41 Ų | 41 | 69.3 Ų | 69.3 | 25% | 0.248 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -84.6 | -43.9 | 179.1 | -179 | 0 | 0 | 0 | 0 | 112.1 | I10 P43 V44 L47 | I10-V26 WeakPolarHBondContact CG2-O 3.25Å; V26-P43 HydrophobicContact CB-CB 4.19Å; V26-P43 HydrophobicContact CG1-CB 3.89Å; V26-P43 WeakPolarHBondContact CG1-O 3.36Å; V26-V44 HydrophobicContact CG2-CG2 4.39Å; V26-L47 HydrophobicContact CG1-CD1 4.27Å; V26-L47 HydrophobicContact CG1-CD2 3.87Å; V26-L47 HydrophobicContact CG1-CG 3.97Å; V26-L47 HydrophobicContact CG2-CD1 3.92Å |
| 27 | L | 93.7 | Very high | 91 | Very high | 14 Ų | 14 | 68 Ų | 68 | 7% | 0.073 | 36% | 0.361 | C | S | . | . | trans | -141.4 | 138.7 | 175.4 | -71.7 | 175.9 | 0 | 0 | 0 | 107.8 | I10 L12 F15 L33 P43 | I10-L27 HydrophobicContact CG2-CD2 4.43Å; L12-L27 HydrophobicContact CD2-CD1 4.03Å; L12-L27 HydrophobicContact CD2-CD2 4.43Å; L12-L27 HydrophobicContact CG-CD1 4.43Å; L12-L27 HydrophobicContact CG-CD2 4.49Å; F15-L27 HydrophobicContact CB-CD2 4.11Å; L27-L33 HydrophobicContact CB-CD2 3.85Å; L27-L33 HydrophobicContact CB-CG 4.28Å; L27-P43 HydrophobicContact CD1-CB 3.95Å; L27-P43 HydrophobicContact CD1-CG 4.2Å; L27-P43 HydrophobicContact CG-CB 4.28Å | ||
| 28 | T | 92.2 | Very high | 91.3 | Very high | 31 Ų | 31 | 70 Ų | 70 | 19% | 0.19 | 37% | 0.368 | C | S | . | . | trans | -127.2 | -12.7 | 178.9 | 62.6 | 0 | 0 | 0 | 0 | 112.3 | I7 P8 R9 I10 Y25 P30 | I7-T28 HydrophobicContact CG2-CG2 3.56Å; P8-T28 WeakPolarHBondContact O-CB 3.45Å; P8-T28 WeakPolarHBondContact O-CG2 3.29Å; P8-T28 PolarHBondContact O-OG1 3.31Å; R9-T28 WeakPolarHBondContact CA-OG1 3.4Å; I10-T28 HydrophobicContact CD1-CG2 4.48Å; I10-T28 PolarHBondContact N-OG1 3.33Å; I10-T28 PolarHBondContact O-N 3.44Å; Y25-T28 HydrophobicContact CD2-CG2 4.4Å; Y25-T28 HydrophobicContact CG-CG2 4.02Å; T28-P30 WeakPolarHBondContact O-CD 3.47Å | ||
| 29 | S | 91.4 | Very high | 91.6 | Very high | 9 Ų | 9 | 67.2 Ų | 67.2 | 6% | 0.063 | 35% | 0.346 | C | S | . | . | trans | -71.5 | 119.4 | 175 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | I10 R31 S32 L33 | I10-S29 WeakPolarHBondContact O-CB 3.23Å; I10-S29 PolarHBondContact O-N 3.19Å; S29-R31 VanDerWaalsContact C-N 3.33Å; S29-R31 PolarHBondContact O-N 3.43Å; S29-S32 WeakPolarHBondContact CB-OG 3.31Å; S29-S32 WeakPolarHBondContact O-CB 3.36Å; S29-S32 PolarHBondContact O-N 3.37Å; S29-S32 PolarHBondContact OG-OG 2.86Å; S29-L33 PolarHBondContact O-N 3.37Å | ||
| 30 | P | 92.3 | Very high | 92 | Very high | 102 Ų | 102 | 69.2 Ų | 69.2 | 66% | 0.662 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -53.9 | -45.4 | -178.4 | -28.3 | 35.4 | 0 | 0 | 0 | 113.3 | T28 S32 L33 E34 | T28-P30 WeakPolarHBondContact O-CD 3.47Å; P30-S32 VanDerWaalsContact C-N 3.26Å; P30-S32 PolarHBondContact O-N 3.21Å; P30-L33 PolarHBondContact O-N 3.39Å; P30-E34 WeakPolarHBondContact O-CB 3.24Å; P30-E34 PolarHBondContact O-N 3.44Å |
| 31 | R | 92.9 | Very high | 92.4 | Very high | 80 Ų | 80 | 68.7 Ų | 68.7 | 30% | 0.302 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.8 | -30.3 | 178.1 | -68.3 | -63.4 | -179.5 | -154.6 | -4.3 | 113.6 | S29 E34 A35 D95 | S29-R31 VanDerWaalsContact C-N 3.33Å; S29-R31 PolarHBondContact O-N 3.43Å; R31-E34 WeakPolarHBondContact CD-OE2 3.25Å; R31-E34 IonicContact CZ-OE2 2.69Å; R31-E34 IonicContact NE-OE2 2.8Å; R31-E34 IonicContact NH1-OE1 3.02Å; R31-E34 PolarHBondContact NH1-OE1 3.09Å; R31-E34 IonicContact NH1-OE2 3.76Å; R31-E34 PolarHBondContact NH1-OE2 3.38Å; R31-A35 WeakPolarHBondContact O-CB 3.44Å; R31-A35 PolarHBondContact O-N 2.9Å; R31-A35 VanDerWaalsContact O-N 3.1Å; R31-D95 VanDerWaalsContact CZ-CG 3.48Å; R31-D95 IonicContact CZ-OD1 2.72Å; R31-D95 VanDerWaalsContact CZ-OD1 3.24Å; R31-D95 IonicContact CZ-OD2 3.97Å; R31-D95 IonicContact NE-OD1 3.93Å; R31-D95 IonicContact NE-OD2 3.83Å; R31-D95 PolarHBondContact NE-OD2 2.73Å; R31-D95 IonicContact NH1-OD1 3.98Å; R31-D95 IonicContact NH2-OD1 3.39Å; R31-D95 PolarHBondContact NH2-OD1 3.49Å; R31-D95 IonicContact NH2-OD2 2.85Å; R31-D95 PolarHBondContact NH2-OD2 3.13Å |
| 32 | S | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -74.2 | -40.3 | 176.4 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | D11 L12 S29 P30 A35 C36 R88 | D11-S32 WeakPolarHBondContact CA-OG 3.03Å; D11-S32 WeakPolarHBondContact CB-OG 3.34Å; L12-S32 PolarHBondContact N-OG 2.85Å; S29-S32 WeakPolarHBondContact CB-OG 3.31Å; S29-S32 WeakPolarHBondContact O-CB 3.36Å; S29-S32 PolarHBondContact O-N 3.37Å; S29-S32 PolarHBondContact OG-OG 2.86Å; P30-S32 VanDerWaalsContact C-N 3.26Å; P30-S32 PolarHBondContact O-N 3.21Å; S32-A35 PolarHBondContact O-N 2.81Å; S32-C36 PolarHBondContact O-N 3Å; S32-C36 VanDerWaalsContact O-N 3.1Å; S32-C36 PolarHBondContact O-SG 3.11Å; S32-R88 WeakPolarHBondContact OG-CD 3.38Å; S32-R88 PolarHBondContact OG-NE 3.43Å |
| 33 | L | 95.4 | Very high | 93.3 | Very high | 72 Ų | 72 | 63 Ų | 63 | 38% | 0.377 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.5 | -40.1 | 175.4 | -70.6 | 171.2 | 0 | 0 | 0 | 111.6 | L27 S29 P30 C36 S37 P43 | L27-L33 HydrophobicContact CB-CD2 3.85Å; L27-L33 HydrophobicContact CB-CG 4.28Å; S29-L33 PolarHBondContact O-N 3.37Å; P30-L33 PolarHBondContact O-N 3.39Å; L33-C36 PolarHBondContact O-N 2.81Å; L33-S37 WeakPolarHBondContact O-CB 3.48Å; L33-S37 PolarHBondContact O-N 2.92Å; L33-P43 HydrophobicContact CD2-CG 3.92Å |
| 34 | E | 95.3 | Very high | 93.6 | Very high | 63 Ų | 63 | 65.5 Ų | 65.5 | 29% | 0.294 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.9 | -46.8 | 174.8 | -171.8 | -178.9 | -167.1 | 0 | 0 | 111.7 | P30 R31 C36 S37 H38 L91 | P30-E34 WeakPolarHBondContact O-CB 3.24Å; P30-E34 PolarHBondContact O-N 3.44Å; R31-E34 WeakPolarHBondContact CD-OE2 3.25Å; R31-E34 IonicContact CZ-OE2 2.69Å; R31-E34 IonicContact NE-OE2 2.8Å; R31-E34 IonicContact NH1-OE1 3.02Å; R31-E34 PolarHBondContact NH1-OE1 3.09Å; R31-E34 IonicContact NH1-OE2 3.76Å; R31-E34 PolarHBondContact NH1-OE2 3.38Å; E34-C36 VanDerWaalsContact C-N 3.31Å; E34-C36 PolarHBondContact O-N 3.4Å; E34-S37 WeakPolarHBondContact O-CB 3.41Å; E34-S37 PolarHBondContact O-N 3.44Å; E34-S37 VanDerWaalsContact O-N 3.07Å; E34-H38 PolarHBondContact O-N 2.87Å; E34-L91 HydrophobicContact CB-CD1 3.92Å; E34-L91 HydrophobicContact CG-CD1 3.72Å; E34-L91 HydrophobicContact CG-CD2 4.49Å |
| 35 | A | 95.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.5 | -42.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L12 R31 S32 L39 E87 R88 L91 | L12-A35 HydrophobicContact CD1-CB 4.32Å; R31-A35 WeakPolarHBondContact O-CB 3.44Å; R31-A35 PolarHBondContact O-N 2.9Å; R31-A35 VanDerWaalsContact O-N 3.1Å; S32-A35 PolarHBondContact O-N 2.81Å; A35-L39 WeakPolarHBondContact O-CG 3.41Å; A35-L39 PolarHBondContact O-N 2.82Å; A35-E87 HydrophobicContact CB-CB 3.86Å; A35-R88 HydrophobicContact CB-CB 4Å; A35-L91 HydrophobicContact CB-CD1 4.11Å |
| 36 | C | 96.1 | Very high | 94 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65 | -39.9 | 174.4 | -76.3 | 0 | 0 | 0 | 0 | 112.4 | S32 L33 E34 L39 K40 I41 | S32-C36 PolarHBondContact O-N 3Å; S32-C36 VanDerWaalsContact O-N 3.1Å; S32-C36 PolarHBondContact O-SG 3.11Å; L33-C36 PolarHBondContact O-N 2.81Å; E34-C36 VanDerWaalsContact C-N 3.31Å; E34-C36 PolarHBondContact O-N 3.4Å; C36-L39 PolarHBondContact O-N 3.33Å; C36-K40 PolarHBondContact O-N 2.88Å; C36-I41 WeakPolarHBondContact CB-O 3.35Å; C36-I41 PolarHBondContact O-N 3.28Å |
| 37 | S | 95.6 | Very high | 94 | Very high | 68 Ų | 68 | 55.6 Ų | 55.6 | 48% | 0.476 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 177.9 | -174.8 | 0 | 0 | 0 | 0 | 112.4 | L33 E34 L39 K40 | L33-S37 WeakPolarHBondContact O-CB 3.48Å; L33-S37 PolarHBondContact O-N 2.92Å; E34-S37 WeakPolarHBondContact O-CB 3.41Å; E34-S37 PolarHBondContact O-N 3.44Å; E34-S37 VanDerWaalsContact O-N 3.07Å; S37-L39 VanDerWaalsContact C-N 3.3Å; S37-L39 PolarHBondContact O-N 2.86Å; S37-K40 WeakPolarHBondContact O-CD 3.41Å; S37-K40 PolarHBondContact O-N 3.47Å; S37-K40 VanDerWaalsContact O-N 3.16Å |
| 38 | H | 95.3 | Very high | 93.8 | Very high | 106 Ų | 106 | 59.6 Ų | 59.6 | 49% | 0.491 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.8 | -40.2 | 176.4 | -71.2 | -179.9 | 0 | 0 | 0 | 112 | E34 K40 | E34-H38 PolarHBondContact O-N 2.87Å; H38-K40 VanDerWaalsContact C-N 3.32Å |
| 39 | L | 94.1 | Very high | 93.8 | Very high | 57 Ų | 57 | 61.4 Ų | 61.4 | 30% | 0.298 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -1.7 | 179.3 | -63.5 | 175.4 | 0 | 0 | 0 | 114.1 | A35 C36 S37 I41 K83 A84 E87 | A35-L39 WeakPolarHBondContact O-CG 3.41Å; A35-L39 PolarHBondContact O-N 2.82Å; C36-L39 PolarHBondContact O-N 3.33Å; S37-L39 VanDerWaalsContact C-N 3.3Å; S37-L39 PolarHBondContact O-N 2.86Å; L39-I41 HydrophobicContact CB-CD1 3.65Å; L39-I41 HydrophobicContact CB-CG1 3.83Å; L39-I41 HydrophobicContact CD1-CD1 3.85Å; L39-I41 HydrophobicContact CG-CD1 4.42Å; L39-I41 PolarHBondContact O-N 2.87Å; L39-K83 VanDerWaalsContact CD1-C 3.47Å; L39-K83 HydrophobicContact CD1-CB 3.76Å; L39-A84 HydrophobicContact CD1-CB 4.26Å; L39-E87 HydrophobicContact CD1-CB 4.2Å; L39-E87 HydrophobicContact CD1-CG 3.69Å; L39-E87 HydrophobicContact CD2-CG 3.76Å; L39-E87 HydrophobicContact CG-CB 4.48Å; L39-E87 HydrophobicContact CG-CG 3.72Å |
| 40 | K | 96 | Very high | 93.7 | Very high | 180 Ų | 180 | 63.6 Ų | 63.6 | 78% | 0.783 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 37.8 | -172 | -54.1 | -63.5 | 177.4 | -166.9 | 0 | 112.5 | C36 S37 H38 | C36-K40 PolarHBondContact O-N 2.88Å; S37-K40 WeakPolarHBondContact O-CD 3.41Å; S37-K40 PolarHBondContact O-N 3.47Å; S37-K40 VanDerWaalsContact O-N 3.16Å; H38-K40 VanDerWaalsContact C-N 3.32Å |
| 41 | I | 94.8 | Very high | 93.5 | Very high | 18 Ų | 18 | 65 Ų | 65 | 9% | 0.092 | 32% | 0.323 | C | S | . | . | trans | -100.2 | 124.3 | 176 | -63.5 | 169.4 | 0 | 0 | 0 | 108.3 | C36 L39 L46 K80 | C36-I41 WeakPolarHBondContact CB-O 3.35Å; C36-I41 PolarHBondContact O-N 3.28Å; L39-I41 HydrophobicContact CB-CD1 3.65Å; L39-I41 HydrophobicContact CB-CG1 3.83Å; L39-I41 HydrophobicContact CD1-CD1 3.85Å; L39-I41 HydrophobicContact CG-CD1 4.42Å; L39-I41 PolarHBondContact O-N 2.87Å; I41-L46 HydrophobicContact CG2-CD1 4.45Å; I41-L46 HydrophobicContact CG2-CD2 3.85Å; I41-L46 HydrophobicContact CG2-CG 4.03Å; I41-K80 HydrophobicContact CD1-CB 3.97Å; I41-K80 HydrophobicContact CD1-CG 4.11Å; I41-K80 HydrophobicContact CG1-CG 4.45Å; I41-K80 HydrophobicContact CG2-CD 4.33Å | ||
| 42 | L | 94.9 | Very high | 93.4 | Very high | 115 Ų | 115 | 64.3 Ų | 64.3 | 60% | 0.602 | 34% | 0.335 | S | S | * | . | trans | -72.3 | 132.9 | 172.7 | -65.8 | 172.3 | 0 | 0 | 0 | 109.6 | V44 D45 | L42-V44 PolarHBondContact O-N 2.94Å; L42-V44 VanDerWaalsContact O-N 3.12Å; L42-D45 WeakPolarHBondContact O-CB 3.49Å; L42-D45 PolarHBondContact O-N 3.48Å | ||
| 43 | P | 93.2 | Very high | 93.1 | Very high | 32 Ų | 32 | 68.4 Ų | 68.4 | 21% | 0.208 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -52.8 | -36 | 176.9 | -30.8 | 37.1 | 0 | 0 | 0 | 113.6 | V26 L27 L33 D45 L46 | V26-P43 HydrophobicContact CB-CB 4.19Å; V26-P43 HydrophobicContact CG1-CB 3.89Å; V26-P43 WeakPolarHBondContact CG1-O 3.36Å; L27-P43 HydrophobicContact CD1-CB 3.95Å; L27-P43 HydrophobicContact CD1-CG 4.2Å; L27-P43 HydrophobicContact CG-CB 4.28Å; L33-P43 HydrophobicContact CD2-CG 3.92Å; P43-D45 PolarHBondContact O-N 3.21Å; P43-L46 WeakPolarHBondContact O-CB 3.31Å; P43-L46 PolarHBondContact O-N 3.35Å; P43-L46 VanDerWaalsContact O-N 3.1Å |
| 44 | V | 92.6 | Very high | 92.7 | Very high | 92 Ų | 92 | 66 Ų | 66 | 56% | 0.558 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -62 | -28.9 | 177.8 | -175.5 | 0 | 0 | 0 | 0 | 112.5 | V26 L42 L46 L47 | V26-V44 HydrophobicContact CG2-CG2 4.39Å; L42-V44 PolarHBondContact O-N 2.94Å; L42-V44 VanDerWaalsContact O-N 3.12Å; V44-L46 PolarHBondContact O-N 2.86Å; V44-L47 PolarHBondContact O-N 3.44Å |
| 45 | D | 92.4 | Very high | 92.3 | Very high | 57 Ų | 57 | 66.3 Ų | 66.3 | 31% | 0.305 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -71.6 | -17.2 | 178 | -82.9 | -1.5 | 0 | 0 | 0 | 113.3 | L42 P43 K80 | L42-D45 WeakPolarHBondContact O-CB 3.49Å; L42-D45 PolarHBondContact O-N 3.48Å; P43-D45 PolarHBondContact O-N 3.21Å; D45-K80 IonicContact OD2-NZ 3.67Å; D45-K80 PolarHBondContact OD2-NZ 3.29Å |
| 46 | L | 93.4 | Very high | 92 | Very high | 2 Ų | 2 | 72.3 Ų | 72.3 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -83.9 | -16.6 | 180 | -61 | 178.1 | 0 | 0 | 0 | 112.5 | L12 F15 I41 P43 V44 R77 K80 L81 | L12-L46 HydrophobicContact CD2-CD1 3.54Å; F15-L46 HydrophobicContact CE2-CB 4.35Å; I41-L46 HydrophobicContact CG2-CD1 4.45Å; I41-L46 HydrophobicContact CG2-CD2 3.85Å; I41-L46 HydrophobicContact CG2-CG 4.03Å; P43-L46 WeakPolarHBondContact O-CB 3.31Å; P43-L46 PolarHBondContact O-N 3.35Å; P43-L46 VanDerWaalsContact O-N 3.1Å; V44-L46 PolarHBondContact O-N 2.86Å; L46-R77 WeakPolarHBondContact O-CD 3.49Å; L46-R77 PolarHBondContact O-NH1 2.88Å; L46-K80 HydrophobicContact CD2-CB 3.81Å; L46-L81 HydrophobicContact CD1-CD1 4.25Å; L46-L81 HydrophobicContact CD2-CB 4.21Å; L46-L81 HydrophobicContact CD2-CD1 4.33Å |
| 47 | L | 91.7 | Very high | 91.6 | Very high | 68 Ų | 68 | 80.5 Ų | 80.5 | 36% | 0.356 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -66.6 | 137.5 | 179.4 | -67.4 | 177.7 | 0 | 0 | 0 | 111.3 | V26 V44 K49 R77 | V26-L47 HydrophobicContact CG1-CD1 4.27Å; V26-L47 HydrophobicContact CG1-CD2 3.87Å; V26-L47 HydrophobicContact CG1-CG 3.97Å; V26-L47 HydrophobicContact CG2-CD1 3.92Å; V44-L47 PolarHBondContact O-N 3.44Å; L47-K49 PolarHBondContact O-N 3.06Å; L47-R77 WeakPolarHBondContact O-CD 3.41Å |
| 48 | H | 90.5 | Very high | 91.2 | Very high | 99 Ų | 99 | 80.7 Ų | 80.7 | 46% | 0.458 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 126.8 | 174 | -179.7 | 59 | 0 | 0 | 0 | 109.9 | Y70 E74 | H48-Y70 PolarHBondContact CE1-OH 3.38Å; H48-Y70 VanDerWaalsContact CE1-OH 3.27Å; H48-E74 IonicContact CE1-OE1 3.39Å; H48-E74 IonicContact CE1-OE2 2.72Å; H48-E74 IonicContact CG-OE1 3.74Å; H48-E74 IonicContact ND1-OE1 2.98Å; H48-E74 PolarHBondContact ND1-OE1 2.92Å; H48-E74 IonicContact ND1-OE2 2.96Å; H48-E74 PolarHBondContact ND1-OE2 3.29Å |
| 49 | K | 90.5 | Very high | 90.7 | Very high | 69 Ų | 69 | 82.1 Ų | 82.1 | 30% | 0.3 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -99.1 | 122.2 | 174.8 | -69.5 | 175.9 | -175.5 | 172.3 | 0 | 107.9 | L47 F54 Y70 | L47-K49 PolarHBondContact O-N 3.06Å; K49-F54 HydrophobicContact CB-CD2 4.06Å; K49-F54 HydrophobicContact CB-CE2 3.7Å; K49-F54 HydrophobicContact CD-CE2 4Å; K49-F54 HydrophobicContact CG-CE2 4.5Å; K49-Y70 WeakPolarHBondContact O-CE2 3.23Å |
| 50 | S | 90.2 | Very high | 90.4 | Very high | 55 Ų | 55 | 89.5 Ų | 89.5 | 39% | 0.385 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -63 | 150.2 | -176.6 | 74.1 | 0 | 0 | 0 | 0 | 111.2 | A52 E53 F54 | S50-A52 PolarHBondContact O-N 3.17Å; S50-E53 WeakPolarHBondContact O-CB 2.98Å; S50-E53 PolarHBondContact O-N 3.44Å; S50-E53 PolarHBondContact OG-N 3.24Å; S50-E53 VanDerWaalsContact OG-N 3.15Å; S50-F54 PolarHBondContact O-N 3.14Å |
| 51 | R | 88.4 | Confident | 89.9 | Confident | 130 Ų | 130 | 84.3 Ų | 84.3 | 49% | 0.491 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -55.7 | -33.9 | 173.2 | -170.6 | -179.4 | -178.7 | -141.1 | 0.4 | 112 | F54 L55 E67 Y70 | R51-F54 PolarHBondContact O-N 3.35Å; R51-L55 HydrophobicContact CG-CD1 4.49Å; R51-L55 WeakPolarHBondContact O-CG 3.3Å; R51-L55 PolarHBondContact O-N 3.01Å; R51-E67 IonicContact CZ-OE1 2.79Å; R51-E67 IonicContact CZ-OE2 3.84Å; R51-E67 IonicContact NE-OE1 2.73Å; R51-E67 PolarHBondContact NE-OE1 2.9Å; R51-E67 IonicContact NE-OE2 2.95Å; R51-E67 PolarHBondContact NE-OE2 2.83Å; R51-E67 IonicContact NH2-OE1 3.44Å; R51-E67 IonicContact NH2-OE2 2.76Å; R51-E67 PolarHBondContact NH2-OE2 2.83Å; R51-Y70 HydrophobicContact CB-CE2 4.3Å |
| 52 | A | 89.7 | Confident | 89.6 | Confident | 67 Ų | 67 | 87.3 Ų | 87.3 | 55% | 0.554 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.3 | -41.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S50 F54 L55 E56 | S50-A52 PolarHBondContact O-N 3.17Å; A52-F54 VanDerWaalsContact C-N 3.31Å; A52-F54 PolarHBondContact O-N 3.38Å; A52-L55 PolarHBondContact O-N 3.25Å; A52-E56 WeakPolarHBondContact O-CB 3.5Å; A52-E56 PolarHBondContact O-N 2.9Å |
| 53 | E | 88.6 | Confident | 89.2 | Confident | 85 Ų | 85 | 86.3 Ų | 86.3 | 40% | 0.397 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 175.6 | -165 | -166 | 152.9 | 0 | 0 | 111.4 | S50 E56 R57 | S50-E53 WeakPolarHBondContact O-CB 2.98Å; S50-E53 PolarHBondContact O-N 3.44Å; S50-E53 PolarHBondContact OG-N 3.24Å; S50-E53 VanDerWaalsContact OG-N 3.15Å; E53-E56 PolarHBondContact O-N 3.49Å; E53-R57 VanDerWaalsContact O-CB 3.28Å; E53-R57 WeakPolarHBondContact O-CB 3.34Å; E53-R57 PolarHBondContact O-N 3.37Å |
| 54 | F | 88.3 | Confident | 89 | Confident | 22 Ų | 22 | 89.5 Ų | 89.5 | 10% | 0.096 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -65.2 | -41.5 | 174.4 | -97 | -96.5 | 0 | 0 | 0 | 112.8 | K49 S50 R51 A52 E56 R57 F58 I66 Y70 S73 | K49-F54 HydrophobicContact CB-CD2 4.06Å; K49-F54 HydrophobicContact CB-CE2 3.7Å; K49-F54 HydrophobicContact CD-CE2 4Å; K49-F54 HydrophobicContact CG-CE2 4.5Å; S50-F54 PolarHBondContact O-N 3.14Å; R51-F54 PolarHBondContact O-N 3.35Å; A52-F54 VanDerWaalsContact C-N 3.31Å; A52-F54 PolarHBondContact O-N 3.38Å; F54-E56 VanDerWaalsContact C-N 3.33Å; F54-R57 PolarHBondContact O-N 2.85Å; F54-F58 AromaticContact CD1-CD2 3.86Å; F54-F58 HydrophobicContact CD1-CD2 3.86Å; F54-F58 AromaticContact CD1-CE2 3.81Å; F54-F58 HydrophobicContact CD1-CE2 3.81Å; F54-F58 HydrophobicContact CE1-CD2 4.39Å; F54-F58 AromaticContact CE1-CE2 3.87Å; F54-F58 HydrophobicContact CE1-CE2 3.87Å; F54-F58 WeakPolarHBondContact O-CB 3.43Å; F54-F58 WeakPolarHBondContact O-CD2 3.45Å; F54-F58 PolarHBondContact O-N 2.93Å; F54-I66 HydrophobicContact CB-CG2 4.23Å; F54-Y70 AromaticContact CD2-CD2 3.92Å; F54-Y70 HydrophobicContact CD2-CD2 3.92Å; F54-Y70 HydrophobicContact CE2-CD2 4.34Å; F54-Y70 HydrophobicContact CG-CD2 4.16Å; F54-S73 WeakPolarHBondContact CZ-OG 3.33Å |
| 55 | L | 87.4 | Confident | 88.8 | Confident | 70 Ų | 70 | 89.2 Ų | 89.2 | 37% | 0.366 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 175.3 | -71.4 | 165.7 | 0 | 0 | 0 | 111.5 | R51 A52 K59 I66 | R51-L55 HydrophobicContact CG-CD1 4.49Å; R51-L55 WeakPolarHBondContact O-CG 3.3Å; R51-L55 PolarHBondContact O-N 3.01Å; A52-L55 PolarHBondContact O-N 3.25Å; L55-K59 WeakPolarHBondContact O-CG 3.45Å; L55-K59 PolarHBondContact O-N 3.26Å; L55-I66 HydrophobicContact CD2-CB 4.38Å; L55-I66 HydrophobicContact CD2-CD1 3.93Å; L55-I66 HydrophobicContact CD2-CG2 3.96Å; L55-I66 HydrophobicContact CG-CG2 4.37Å |
| 56 | E | 88.7 | Confident | 88.7 | Confident | 125 Ų | 125 | 86.8 Ų | 86.8 | 58% | 0.584 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -68.6 | -38.9 | 179 | -169.5 | 66.5 | -165.9 | 0 | 0 | 112.3 | A52 E53 F54 K59 | A52-E56 WeakPolarHBondContact O-CB 3.5Å; A52-E56 PolarHBondContact O-N 2.9Å; E53-E56 PolarHBondContact O-N 3.49Å; F54-E56 VanDerWaalsContact C-N 3.33Å; E56-K59 WeakPolarHBondContact O-CE 3.41Å; E56-K59 WeakPolarHBondContact O-CG 3.48Å; E56-K59 WeakPolarHBondContact OE1-CE 3.44Å; E56-K59 IonicContact OE1-NZ 3.98Å; E56-K59 PolarHBondContact OE1-NZ 2.99Å; E56-K59 WeakPolarHBondContact OE2-CE 3.21Å; E56-K59 IonicContact OE2-NZ 3.55Å; E56-K59 PolarHBondContact OE2-NZ 2.98Å |
| 57 | R | 88.1 | Confident | 88.6 | Confident | 174 Ų | 174 | 89.1 Ų | 89.1 | 66% | 0.657 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -75 | -31.6 | -179.6 | -162.4 | 170.9 | -171 | 157.3 | 2.7 | 112.9 | E53 F54 | E53-R57 VanDerWaalsContact O-CB 3.28Å; E53-R57 WeakPolarHBondContact O-CB 3.34Å; E53-R57 PolarHBondContact O-N 3.37Å; F54-R57 PolarHBondContact O-N 2.85Å |
| 58 | F | 85.6 | Confident | 88.6 | Confident | 72 Ų | 72 | 90.8 Ų | 90.8 | 32% | 0.316 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | 34.8 | -176.3 | -64.9 | -75 | 0 | 0 | 0 | 113.6 | F54 K60 L61 I66 | F54-F58 AromaticContact CD1-CD2 3.86Å; F54-F58 HydrophobicContact CD1-CD2 3.86Å; F54-F58 AromaticContact CD1-CE2 3.81Å; F54-F58 HydrophobicContact CD1-CE2 3.81Å; F54-F58 HydrophobicContact CE1-CD2 4.39Å; F54-F58 AromaticContact CE1-CE2 3.87Å; F54-F58 HydrophobicContact CE1-CE2 3.87Å; F54-F58 WeakPolarHBondContact O-CB 3.43Å; F54-F58 WeakPolarHBondContact O-CD2 3.45Å; F54-F58 PolarHBondContact O-N 2.93Å; F58-K60 PolarHBondContact O-N 3.44Å; F58-L61 HydrophobicContact CB-CD1 4.28Å; F58-L61 HydrophobicContact CD1-CD1 4Å; F58-L61 HydrophobicContact CG-CD1 4.44Å; F58-L61 PolarHBondContact O-N 3.3Å; F58-I66 HydrophobicContact CB-CD1 4.28Å; F58-I66 HydrophobicContact CB-CG1 4Å; F58-I66 WeakPolarHBondContact O-CD1 3.29Å |
| 59 | K | 86 | Confident | 88.6 | Confident | 136 Ų | 136 | 88.5 Ų | 88.5 | 59% | 0.591 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | -24.3 | 177.8 | -70.1 | 179.2 | -171.6 | -169.5 | 0 | 115.6 | L55 E56 L61 | L55-K59 WeakPolarHBondContact O-CG 3.45Å; L55-K59 PolarHBondContact O-N 3.26Å; E56-K59 WeakPolarHBondContact O-CE 3.41Å; E56-K59 WeakPolarHBondContact O-CG 3.48Å; E56-K59 WeakPolarHBondContact OE1-CE 3.44Å; E56-K59 IonicContact OE1-NZ 3.98Å; E56-K59 PolarHBondContact OE1-NZ 2.99Å; E56-K59 WeakPolarHBondContact OE2-CE 3.21Å; E56-K59 IonicContact OE2-NZ 3.55Å; E56-K59 PolarHBondContact OE2-NZ 2.98Å; K59-L61 VanDerWaalsContact C-N 3.32Å |
| 60 | K | 88 | Confident | 88.8 | Confident | 211 Ų | 211 | 87 Ų | 87 | 92% | 0.917 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -10.4 | -177.9 | -60.2 | -175 | -179.7 | -177.7 | 0 | 113.7 | F58 | F58-K60 PolarHBondContact O-N 3.44Š|
| 61 | L | 85.6 | Confident | 88.9 | Confident | 71 Ų | 71 | 89.2 Ų | 89.2 | 37% | 0.372 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -103.5 | 152 | -177.1 | -69.8 | 173.3 | 0 | 0 | 0 | 111.4 | F58 K59 I66 L69 | F58-L61 HydrophobicContact CB-CD1 4.28Å; F58-L61 HydrophobicContact CD1-CD1 4Å; F58-L61 HydrophobicContact CG-CD1 4.44Å; F58-L61 PolarHBondContact O-N 3.3Å; K59-L61 VanDerWaalsContact C-N 3.32Å; L61-I66 HydrophobicContact CB-CD1 4.5Å; L61-I66 HydrophobicContact CB-CG1 3.93Å; L61-I66 WeakPolarHBondContact O-CD1 3.33Å; L61-L69 HydrophobicContact CD1-CD1 3.72Å |
| 62 | P | 88.2 | Confident | 89.2 | Confident | 82 Ų | 82 | 90 Ų | 90 | 53% | 0.532 | 44% | 0.443 | S | S | . | . | trans | -57.5 | 143.2 | 172.1 | -23.1 | 32.9 | 0 | 0 | 0 | 111.3 | S64 K65 I66 | P62-S64 PolarHBondContact O-N 2.87Å; P62-S64 VanDerWaalsContact O-N 3.14Å; P62-K65 WeakPolarHBondContact O-CA 3.36Å; P62-K65 PolarHBondContact O-N 3.47Å; P62-I66 PolarHBondContact O-N 3.47Å; P62-I66 VanDerWaalsContact O-N 3.09Å | ||
| 63 | P | 86.4 | Confident | 89.3 | Confident | 93 Ų | 93 | 88.3 Ų | 88.3 | 60% | 0.604 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -56.4 | -35.3 | -177 | 20.4 | -31.9 | 0 | 0 | 0 | 112.8 | K65 I66 E67 | P63-K65 VanDerWaalsContact C-N 3.31Å; P63-K65 PolarHBondContact O-N 2.94Å; P63-I66 PolarHBondContact O-N 2.96Å; P63-E67 PolarHBondContact O-N 3.39Å |
| 64 | S | 88.2 | Confident | 89.6 | Confident | 99 Ų | 99 | 85 Ų | 85 | 69% | 0.692 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.8 | -37 | 174.7 | -54.6 | 0 | 0 | 0 | 0 | 112.9 | P62 E67 E68 | P62-S64 PolarHBondContact O-N 2.87Å; P62-S64 VanDerWaalsContact O-N 3.14Å; S64-E67 PolarHBondContact O-N 3.28Å; S64-E68 PolarHBondContact O-N 3.45Å |
| 65 | K | 89.7 | Confident | 89.9 | Confident | 87 Ų | 87 | 89.9 Ų | 89.9 | 38% | 0.378 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -75.5 | -35 | 178.1 | -164.6 | 69.7 | -168.8 | 170 | 0 | 111.5 | P62 P63 E67 E68 L69 | P62-K65 WeakPolarHBondContact O-CA 3.36Å; P62-K65 PolarHBondContact O-N 3.47Å; P63-K65 VanDerWaalsContact C-N 3.31Å; P63-K65 PolarHBondContact O-N 2.94Å; K65-E67 VanDerWaalsContact C-N 3.27Å; K65-E67 PolarHBondContact O-N 3.32Å; K65-E68 WeakPolarHBondContact CD-OE2 3.31Å; K65-E68 IonicContact NZ-OE1 3.94Å; K65-E68 PolarHBondContact NZ-OE1 3.31Å; K65-E68 IonicContact NZ-OE2 3.77Å; K65-E68 PolarHBondContact NZ-OE2 3.28Å; K65-E68 PolarHBondContact O-N 3.2Å; K65-L69 WeakPolarHBondContact O-CB 3.5Å; K65-L69 VanDerWaalsContact O-CG 3.29Å; K65-L69 WeakPolarHBondContact O-CG 3.41Å; K65-L69 PolarHBondContact O-N 3.02Å |
| 66 | I | 89.8 | Confident | 90.3 | Very high | 6 Ų | 6 | 92 Ų | 92 | 3% | 0.031 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61.6 | -41 | 172.9 | -57.6 | 172.5 | 0 | 0 | 0 | 109.9 | F54 L55 F58 L61 P62 P63 L69 Y70 | F54-I66 HydrophobicContact CB-CG2 4.23Å; L55-I66 HydrophobicContact CD2-CB 4.38Å; L55-I66 HydrophobicContact CD2-CD1 3.93Å; L55-I66 HydrophobicContact CD2-CG2 3.96Å; L55-I66 HydrophobicContact CG-CG2 4.37Å; F58-I66 HydrophobicContact CB-CD1 4.28Å; F58-I66 HydrophobicContact CB-CG1 4Å; F58-I66 WeakPolarHBondContact O-CD1 3.29Å; L61-I66 HydrophobicContact CB-CD1 4.5Å; L61-I66 HydrophobicContact CB-CG1 3.93Å; L61-I66 WeakPolarHBondContact O-CD1 3.33Å; P62-I66 PolarHBondContact O-N 3.47Å; P62-I66 VanDerWaalsContact O-N 3.09Å; P63-I66 PolarHBondContact O-N 2.96Å; I66-L69 PolarHBondContact O-N 3.41Å; I66-Y70 WeakPolarHBondContact O-CB 3.25Å; I66-Y70 PolarHBondContact O-N 3.43Å |
| 67 | E | 90.7 | Very high | 90.6 | Very high | 51 Ų | 51 | 87.1 Ų | 87.1 | 24% | 0.238 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 177 | -162.7 | 64.5 | -164.8 | 0 | 0 | 112.4 | R51 P63 S64 K65 L69 Y70 L71 | R51-E67 IonicContact CZ-OE1 2.79Å; R51-E67 IonicContact CZ-OE2 3.84Å; R51-E67 IonicContact NE-OE1 2.73Å; R51-E67 PolarHBondContact NE-OE1 2.9Å; R51-E67 IonicContact NE-OE2 2.95Å; R51-E67 PolarHBondContact NE-OE2 2.83Å; R51-E67 IonicContact NH2-OE1 3.44Å; R51-E67 IonicContact NH2-OE2 2.76Å; R51-E67 PolarHBondContact NH2-OE2 2.83Å; P63-E67 PolarHBondContact O-N 3.39Å; S64-E67 PolarHBondContact O-N 3.28Å; K65-E67 VanDerWaalsContact C-N 3.27Å; K65-E67 PolarHBondContact O-N 3.32Å; E67-L69 VanDerWaalsContact C-N 3.31Å; E67-L69 PolarHBondContact O-N 2.95Å; E67-Y70 WeakPolarHBondContact O-CB 3.38Å; E67-Y70 PolarHBondContact O-N 2.91Å; E67-L71 HydrophobicContact CG-CD1 4.43Å; E67-L71 WeakPolarHBondContact O-CG 3.39Å; E67-L71 PolarHBondContact O-N 3.26Å |
| 68 | E | 91.7 | Very high | 90.9 | Very high | 102 Ų | 102 | 86.5 Ų | 86.5 | 48% | 0.477 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.7 | -41.5 | 177.1 | -169.1 | -164.4 | 142.6 | 0 | 0 | 111.5 | S64 K65 R72 | S64-E68 PolarHBondContact O-N 3.45Å; K65-E68 WeakPolarHBondContact CD-OE2 3.31Å; K65-E68 IonicContact NZ-OE1 3.94Å; K65-E68 PolarHBondContact NZ-OE1 3.31Å; K65-E68 IonicContact NZ-OE2 3.77Å; K65-E68 PolarHBondContact NZ-OE2 3.28Å; K65-E68 PolarHBondContact O-N 3.2Å; E68-R72 WeakPolarHBondContact O-CB 3.31Å; E68-R72 PolarHBondContact O-N 2.92Å |
| 69 | L | 91.5 | Very high | 91.4 | Very high | 52 Ų | 52 | 87.3 Ų | 87.3 | 27% | 0.272 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 176.1 | -72.7 | 174.1 | 0 | 0 | 0 | 112.1 | L61 K65 I66 E67 S73 | L61-L69 HydrophobicContact CD1-CD1 3.72Å; K65-L69 WeakPolarHBondContact O-CB 3.5Å; K65-L69 VanDerWaalsContact O-CG 3.29Å; K65-L69 WeakPolarHBondContact O-CG 3.41Å; K65-L69 PolarHBondContact O-N 3.02Å; I66-L69 PolarHBondContact O-N 3.41Å; E67-L69 VanDerWaalsContact C-N 3.31Å; E67-L69 PolarHBondContact O-N 2.95Å; L69-S73 VanDerWaalsContact O-CB 3.31Å; L69-S73 WeakPolarHBondContact O-CB 3.37Å; L69-S73 PolarHBondContact O-N 3.2Å; L69-S73 PolarHBondContact O-OG 3.48Å |
| 70 | Y | 93.2 | Very high | 91.8 | Very high | 37 Ų | 37 | 84.3 Ų | 84.3 | 15% | 0.145 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.2 | -50.5 | 175.6 | 168.8 | -105.9 | 0 | 0 | 0 | 110.9 | H48 K49 R51 F54 I66 E67 R72 S73 E74 | H48-Y70 PolarHBondContact CE1-OH 3.38Å; H48-Y70 VanDerWaalsContact CE1-OH 3.27Å; K49-Y70 WeakPolarHBondContact O-CE2 3.23Å; R51-Y70 HydrophobicContact CB-CE2 4.3Å; F54-Y70 AromaticContact CD2-CD2 3.92Å; F54-Y70 HydrophobicContact CD2-CD2 3.92Å; F54-Y70 HydrophobicContact CE2-CD2 4.34Å; F54-Y70 HydrophobicContact CG-CD2 4.16Å; I66-Y70 WeakPolarHBondContact O-CB 3.25Å; I66-Y70 PolarHBondContact O-N 3.43Å; E67-Y70 WeakPolarHBondContact O-CB 3.38Å; E67-Y70 PolarHBondContact O-N 2.91Å; Y70-R72 PolarHBondContact O-N 3.34Å; Y70-S73 WeakPolarHBondContact O-CB 3.43Å; Y70-S73 PolarHBondContact O-N 3.41Å; Y70-S73 PolarHBondContact O-OG 3Å; Y70-E74 HydrophobicContact CD2-CG 4.45Å; Y70-E74 HydrophobicContact CE1-CG 4.44Å; Y70-E74 HydrophobicContact CE2-CG 3.88Å; Y70-E74 PolarHBondContact O-N 3.3Å |
| 71 | L | 93.4 | Very high | 92.1 | Very high | 101 Ų | 101 | 74.6 Ų | 74.6 | 53% | 0.529 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.1 | -46.7 | 177.7 | -70.1 | 173.4 | 0 | 0 | 0 | 112 | E67 S73 E74 E75 | E67-L71 HydrophobicContact CG-CD1 4.43Å; E67-L71 WeakPolarHBondContact O-CG 3.39Å; E67-L71 PolarHBondContact O-N 3.26Å; L71-S73 VanDerWaalsContact C-N 3.26Å; L71-S73 PolarHBondContact O-N 2.93Å; L71-E74 PolarHBondContact O-N 3.43Å; L71-E75 WeakPolarHBondContact O-CB 3.42Å; L71-E75 PolarHBondContact O-N 3.08Å |
| 72 | R | 93.7 | Very high | 92.6 | Very high | 146 Ų | 146 | 73.4 Ų | 73.4 | 55% | 0.551 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.9 | -32.6 | 176.8 | -169.3 | 177.9 | -175.2 | -171.2 | 2.5 | 112.3 | E68 Y70 K76 | E68-R72 WeakPolarHBondContact O-CB 3.31Å; E68-R72 PolarHBondContact O-N 2.92Å; Y70-R72 PolarHBondContact O-N 3.34Å; R72-K76 WeakPolarHBondContact O-CG 3.49Å; R72-K76 PolarHBondContact O-N 3.44Å; R72-K76 VanDerWaalsContact O-N 3.17Å |
| 73 | S | 93.2 | Very high | 92.9 | Very high | 32 Ų | 32 | 75.5 Ų | 75.5 | 22% | 0.224 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -73.2 | -40 | 177 | 78.9 | 0 | 0 | 0 | 0 | 112.2 | F54 L69 Y70 L71 K76 R77 | F54-S73 WeakPolarHBondContact CZ-OG 3.33Å; L69-S73 VanDerWaalsContact O-CB 3.31Å; L69-S73 WeakPolarHBondContact O-CB 3.37Å; L69-S73 PolarHBondContact O-N 3.2Å; L69-S73 PolarHBondContact O-OG 3.48Å; Y70-S73 WeakPolarHBondContact O-CB 3.43Å; Y70-S73 PolarHBondContact O-N 3.41Å; Y70-S73 PolarHBondContact O-OG 3Å; L71-S73 VanDerWaalsContact C-N 3.26Å; L71-S73 PolarHBondContact O-N 2.93Å; S73-K76 PolarHBondContact O-N 2.91Å; S73-R77 WeakPolarHBondContact O-CB 3.31Å; S73-R77 PolarHBondContact O-N 3.12Å |
| 74 | E | 94.5 | Very high | 93.4 | Very high | 16 Ų | 16 | 71 Ų | 71 | 8% | 0.075 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.5 | -39 | 175.1 | -88.6 | -63.8 | 111.4 | 0 | 0 | 111.4 | H48 Y70 L71 R77 R78 | H48-E74 IonicContact CE1-OE1 3.39Å; H48-E74 IonicContact CE1-OE2 2.72Å; H48-E74 IonicContact CG-OE1 3.74Å; H48-E74 IonicContact ND1-OE1 2.98Å; H48-E74 PolarHBondContact ND1-OE1 2.92Å; H48-E74 IonicContact ND1-OE2 2.96Å; H48-E74 PolarHBondContact ND1-OE2 3.29Å; Y70-E74 HydrophobicContact CD2-CG 4.45Å; Y70-E74 HydrophobicContact CE1-CG 4.44Å; Y70-E74 HydrophobicContact CE2-CG 3.88Å; Y70-E74 PolarHBondContact O-N 3.3Å; L71-E74 PolarHBondContact O-N 3.43Å; E74-R77 PolarHBondContact O-N 3.34Å; E74-R77 WeakPolarHBondContact OE1-CD 3.4Å; E74-R77 IonicContact OE1-CZ 3.1Å; E74-R77 IonicContact OE1-NE 3.36Å; E74-R77 PolarHBondContact OE1-NE 3.41Å; E74-R77 IonicContact OE1-NH2 2.93Å; E74-R77 IonicContact OE2-CZ 3.14Å; E74-R77 IonicContact OE2-NE 2.7Å; E74-R77 PolarHBondContact OE2-NE 2.9Å; E74-R77 IonicContact OE2-NH2 2.66Å; E74-R77 PolarHBondContact OE2-NH2 3.44Å; E74-R77 VanDerWaalsContact OE2-NH2 3.14Å; E74-R78 WeakPolarHBondContact O-CB 3.27Å; E74-R78 VanDerWaalsContact O-CG 3.31Å; E74-R78 WeakPolarHBondContact O-CG 3.3Å; E74-R78 PolarHBondContact O-N 3.44Å |
| 75 | E | 94.7 | Very high | 93.7 | Very high | 124 Ų | 124 | 70.7 Ų | 70.7 | 58% | 0.579 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -59.6 | -50.2 | 172.9 | -173.7 | 175.4 | -136 | 0 | 0 | 111.1 | L71 R77 R78 D79 | L71-E75 WeakPolarHBondContact O-CB 3.42Å; L71-E75 PolarHBondContact O-N 3.08Å; E75-R77 VanDerWaalsContact C-N 3.29Å; E75-R77 PolarHBondContact O-N 3.47Å; E75-R78 PolarHBondContact O-N 2.91Å; E75-D79 PolarHBondContact O-N 2.94Å |
| 76 | K | 95 | Very high | 94 | Very high | 116 Ų | 116 | 71 Ų | 71 | 50% | 0.504 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.4 | -38.3 | 175.2 | -74.6 | 177.5 | -179.7 | -175.2 | 0 | 112.9 | R72 S73 K80 | R72-K76 WeakPolarHBondContact O-CG 3.49Å; R72-K76 PolarHBondContact O-N 3.44Å; R72-K76 VanDerWaalsContact O-N 3.17Å; S73-K76 PolarHBondContact O-N 2.91Å; K76-K80 WeakPolarHBondContact O-CB 3.46Å; K76-K80 WeakPolarHBondContact O-CG 3.44Å; K76-K80 PolarHBondContact O-N 3.18Å |
| 77 | R | 94.8 | Very high | 94.1 | Very high | 22 Ų | 22 | 72.7 Ų | 72.7 | 8% | 0.083 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.1 | -47.4 | 177.2 | -171.6 | -170.4 | 71.8 | 81.1 | -1.1 | 110.6 | E16 L46 L47 S73 E74 E75 D79 K80 L81 | E16-R77 IonicContact OE1-CZ 3.69Å; E16-R77 IonicContact OE1-NH1 2.61Å; E16-R77 PolarHBondContact OE1-NH1 3.47Å; E16-R77 IonicContact OE1-NH2 3.01Å; E16-R77 PolarHBondContact OE1-NH2 3.42Å; L46-R77 WeakPolarHBondContact O-CD 3.49Å; L46-R77 PolarHBondContact O-NH1 2.88Å; L47-R77 WeakPolarHBondContact O-CD 3.41Å; S73-R77 WeakPolarHBondContact O-CB 3.31Å; S73-R77 PolarHBondContact O-N 3.12Å; E74-R77 PolarHBondContact O-N 3.34Å; E74-R77 WeakPolarHBondContact OE1-CD 3.4Å; E74-R77 IonicContact OE1-CZ 3.1Å; E74-R77 IonicContact OE1-NE 3.36Å; E74-R77 PolarHBondContact OE1-NE 3.41Å; E74-R77 IonicContact OE1-NH2 2.93Å; E74-R77 IonicContact OE2-CZ 3.14Å; E74-R77 IonicContact OE2-NE 2.7Å; E74-R77 PolarHBondContact OE2-NE 2.9Å; E74-R77 IonicContact OE2-NH2 2.66Å; E74-R77 PolarHBondContact OE2-NH2 3.44Å; E74-R77 VanDerWaalsContact OE2-NH2 3.14Å; E75-R77 VanDerWaalsContact C-N 3.29Å; E75-R77 PolarHBondContact O-N 3.47Å; R77-D79 VanDerWaalsContact C-N 3.34Å; R77-D79 PolarHBondContact O-N 2.92Å; R77-K80 PolarHBondContact O-N 3.47Å; R77-L81 WeakPolarHBondContact O-CB 3.43Å; R77-L81 PolarHBondContact O-N 2.9Å |
| 78 | R | 94.6 | Very high | 94.3 | Very high | 161 Ų | 161 | 71.5 Ų | 71.5 | 61% | 0.608 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.2 | -41.5 | 176.8 | -72.1 | 177 | -177.3 | -172.2 | -0.3 | 112 | E74 E75 L81 A82 | E74-R78 WeakPolarHBondContact O-CB 3.27Å; E74-R78 VanDerWaalsContact O-CG 3.31Å; E74-R78 WeakPolarHBondContact O-CG 3.3Å; E74-R78 PolarHBondContact O-N 3.44Å; E75-R78 PolarHBondContact O-N 2.91Å; R78-L81 PolarHBondContact O-N 3.42Å; R78-A82 WeakPolarHBondContact O-CB 3.3Å; R78-A82 PolarHBondContact O-N 2.88Å |
| 79 | D | 95.9 | Very high | 94.3 | Very high | 89 Ų | 89 | 74.1 Ų | 74.1 | 48% | 0.476 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 176.1 | -75.1 | -12.5 | 0 | 0 | 0 | 112.3 | E75 R77 L81 A82 K83 | E75-D79 PolarHBondContact O-N 2.94Å; R77-D79 VanDerWaalsContact C-N 3.34Å; R77-D79 PolarHBondContact O-N 2.92Å; D79-L81 VanDerWaalsContact C-N 3.32Å; D79-L81 PolarHBondContact O-N 3.12Å; D79-A82 PolarHBondContact O-N 3Å; D79-K83 VanDerWaalsContact O-CG 3.32Å; D79-K83 WeakPolarHBondContact O-CG 3.43Å; D79-K83 PolarHBondContact O-N 3.35Å; D79-K83 VanDerWaalsContact O-N 3.08Å |
| 80 | K | 95.4 | Very high | 94.4 | Very high | 73 Ų | 73 | 76.5 Ų | 76.5 | 32% | 0.317 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.8 | -45 | 174.4 | -78.6 | 179.9 | 177 | -174.9 | 0 | 110.9 | I41 D45 L46 K76 R77 K83 A84 | I41-K80 HydrophobicContact CD1-CB 3.97Å; I41-K80 HydrophobicContact CD1-CG 4.11Å; I41-K80 HydrophobicContact CG1-CG 4.45Å; I41-K80 HydrophobicContact CG2-CD 4.33Å; D45-K80 IonicContact OD2-NZ 3.67Å; D45-K80 PolarHBondContact OD2-NZ 3.29Å; L46-K80 HydrophobicContact CD2-CB 3.81Å; K76-K80 WeakPolarHBondContact O-CB 3.46Å; K76-K80 WeakPolarHBondContact O-CG 3.44Å; K76-K80 PolarHBondContact O-N 3.18Å; R77-K80 PolarHBondContact O-N 3.47Å; K80-K83 PolarHBondContact O-N 2.89Å; K80-A84 WeakPolarHBondContact O-CB 3.21Å; K80-A84 PolarHBondContact O-N 2.93Å |
| 81 | L | 94.9 | Very high | 94.2 | Very high | 6 Ų | 6 | 75.7 Ų | 75.7 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.8 | -42.7 | -179.2 | -174.8 | 64 | 0 | 0 | 0 | 112.4 | L12 F15 L46 R77 R78 D79 K83 A84 R85 | L12-L81 HydrophobicContact CD2-CD1 3.91Å; F15-L81 HydrophobicContact CD1-CD1 4.4Å; F15-L81 HydrophobicContact CE1-CD1 3.33Å; F15-L81 HydrophobicContact CE1-CD2 3.81Å; F15-L81 HydrophobicContact CE1-CG 4.17Å; F15-L81 HydrophobicContact CZ-CD1 3.42Å; F15-L81 VanDerWaalsContact CZ-CD1 3.42Å; F15-L81 HydrophobicContact CZ-CD2 3.64Å; F15-L81 HydrophobicContact CZ-CG 4.16Å; L46-L81 HydrophobicContact CD1-CD1 4.25Å; L46-L81 HydrophobicContact CD2-CB 4.21Å; L46-L81 HydrophobicContact CD2-CD1 4.33Å; R77-L81 WeakPolarHBondContact O-CB 3.43Å; R77-L81 PolarHBondContact O-N 2.9Å; R78-L81 PolarHBondContact O-N 3.42Å; D79-L81 VanDerWaalsContact C-N 3.32Å; D79-L81 PolarHBondContact O-N 3.12Å; L81-K83 PolarHBondContact O-N 3.47Å; L81-A84 PolarHBondContact O-N 2.86Å; L81-R85 WeakPolarHBondContact O-CG 3.37Å; L81-R85 PolarHBondContact O-N 3.25Å |
| 82 | A | 95.3 | Very high | 93.9 | Very high | 47 Ų | 47 | 74 Ų | 74 | 39% | 0.388 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | R78 D79 R85 I86 | R78-A82 WeakPolarHBondContact O-CB 3.3Å; R78-A82 PolarHBondContact O-N 2.88Å; D79-A82 PolarHBondContact O-N 3Å; A82-R85 PolarHBondContact O-N 3.32Å; A82-I86 VanDerWaalsContact O-CG1 3.3Å; A82-I86 WeakPolarHBondContact O-CG1 3.18Å; A82-I86 PolarHBondContact O-N 3.4Å |
| 83 | K | 95.5 | Very high | 93.5 | Very high | 125 Ų | 125 | 71 Ų | 71 | 54% | 0.543 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 175.2 | -69.1 | 172.7 | -175 | -180 | 0 | 111.7 | L39 D79 K80 L81 R85 I86 E87 | L39-K83 VanDerWaalsContact CD1-C 3.47Å; L39-K83 HydrophobicContact CD1-CB 3.76Å; D79-K83 VanDerWaalsContact O-CG 3.32Å; D79-K83 WeakPolarHBondContact O-CG 3.43Å; D79-K83 PolarHBondContact O-N 3.35Å; D79-K83 VanDerWaalsContact O-N 3.08Å; K80-K83 PolarHBondContact O-N 2.89Å; L81-K83 PolarHBondContact O-N 3.47Å; K83-R85 PolarHBondContact O-N 3.16Å; K83-I86 PolarHBondContact O-N 2.91Å; K83-E87 PolarHBondContact O-N 3.27Å |
| 84 | A | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62 | -41.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | L12 L39 K80 L81 I86 E87 R88 | L12-A84 HydrophobicContact CD1-CB 3.75Å; L12-A84 WeakPolarHBondContact CD1-O 3.14Å; L12-A84 HydrophobicContact CD2-CB 3.98Å; L39-A84 HydrophobicContact CD1-CB 4.26Å; K80-A84 WeakPolarHBondContact O-CB 3.21Å; K80-A84 PolarHBondContact O-N 2.93Å; L81-A84 PolarHBondContact O-N 2.86Å; A84-I86 PolarHBondContact O-N 3.27Å; A84-E87 PolarHBondContact O-N 3.01Å; A84-R88 PolarHBondContact O-N 3.37Å |
| 85 | R | 95.8 | Very high | 91.6 | Very high | 92 Ų | 92 | 73.8 Ų | 73.8 | 35% | 0.347 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 175.3 | -75.5 | 176.6 | 175.9 | 164.7 | -0.3 | 112.2 | L12 L81 A82 K83 R88 W89 | L12-R85 HydrophobicContact CB-CG 3.96Å; L12-R85 PolarHBondContact O-NE 3.47Å; L12-R85 PolarHBondContact O-NH2 2.91Å; L12-R85 VanDerWaalsContact O-NH2 3.09Å; L81-R85 WeakPolarHBondContact O-CG 3.37Å; L81-R85 PolarHBondContact O-N 3.25Å; A82-R85 PolarHBondContact O-N 3.32Å; K83-R85 PolarHBondContact O-N 3.16Å; R85-R88 PolarHBondContact O-N 3Å; R85-W89 WeakPolarHBondContact O-CB 3.37Å; R85-W89 PolarHBondContact O-N 3.03Å |
| 86 | I | 94.8 | Very high | 90.1 | Very high | 94 Ų | 94 | 73 Ų | 73 | 48% | 0.482 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 176.6 | -67.9 | 164.4 | 0 | 0 | 0 | 110.9 | A82 K83 A84 W89 K90 | A82-I86 VanDerWaalsContact O-CG1 3.3Å; A82-I86 WeakPolarHBondContact O-CG1 3.18Å; A82-I86 PolarHBondContact O-N 3.4Å; K83-I86 PolarHBondContact O-N 2.91Å; A84-I86 PolarHBondContact O-N 3.27Å; I86-W89 WeakPolarHBondContact O-CB 3.33Å; I86-W89 PolarHBondContact O-N 3.36Å; I86-K90 WeakPolarHBondContact O-CG 3.31Å; I86-K90 PolarHBondContact O-N 3.03Å |
| 87 | E | 93.7 | Very high | 88.4 | Confident | 40 Ų | 40 | 71.9 Ų | 71.9 | 19% | 0.187 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 177.1 | -75.1 | -56.2 | 136.4 | 0 | 0 | 112.1 | A35 L39 K83 A84 W89 K90 L91 | A35-E87 HydrophobicContact CB-CB 3.86Å; L39-E87 HydrophobicContact CD1-CB 4.2Å; L39-E87 HydrophobicContact CD1-CG 3.69Å; L39-E87 HydrophobicContact CD2-CG 3.76Å; L39-E87 HydrophobicContact CG-CB 4.48Å; L39-E87 HydrophobicContact CG-CG 3.72Å; K83-E87 PolarHBondContact O-N 3.27Å; A84-E87 PolarHBondContact O-N 3.01Å; E87-W89 VanDerWaalsContact C-N 3.29Å; E87-W89 PolarHBondContact O-N 3.28Å; E87-K90 WeakPolarHBondContact O-CB 3.34Å; E87-K90 PolarHBondContact O-N 3.41Å; E87-K90 VanDerWaalsContact O-N 3.16Å; E87-K90 IonicContact OE1-NZ 2.63Å; E87-K90 PolarHBondContact OE1-NZ 2.58Å; E87-L91 WeakPolarHBondContact O-CG 3.48Å; E87-L91 PolarHBondContact O-N 2.95Å |
| 88 | R | 93.8 | Very high | 86.4 | Confident | 26 Ų | 26 | 75.6 Ų | 75.6 | 10% | 0.098 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.8 | -43.4 | 172.1 | 177.8 | -179.7 | 169.2 | -92.5 | 15.5 | 111.3 | D11 L12 E13 S32 A35 A84 R85 K90 L91 V92 | D11-R88 IonicContact OD2-CZ 3.34Å; D11-R88 IonicContact OD2-NH2 3.7Å; D11-R88 PolarHBondContact OD2-NH2 3.4Å; L12-R88 HydrophobicContact CD1-CB 4.03Å; E13-R88 IonicContact OE1-CZ 2.74Å; E13-R88 IonicContact OE1-NH1 2.87Å; E13-R88 PolarHBondContact OE1-NH1 3.24Å; E13-R88 IonicContact OE2-CZ 3.52Å; E13-R88 IonicContact OE2-NH1 2.84Å; E13-R88 PolarHBondContact OE2-NH1 2.91Å; E13-R88 IonicContact OE2-NH2 3.72Å; E13-R88 PolarHBondContact OE2-NH2 3.33Å; S32-R88 WeakPolarHBondContact OG-CD 3.38Å; S32-R88 PolarHBondContact OG-NE 3.43Å; A35-R88 HydrophobicContact CB-CB 4Å; A84-R88 PolarHBondContact O-N 3.37Å; R85-R88 PolarHBondContact O-N 3Å; R88-K90 VanDerWaalsContact C-N 3.32Å; R88-K90 PolarHBondContact O-N 3.22Å; R88-L91 PolarHBondContact O-N 2.95Å; R88-V92 HydrophobicContact CG-CG2 4.37Å; R88-V92 VanDerWaalsContact O-CG2 3.27Å; R88-V92 WeakPolarHBondContact O-CG2 3.38Å; R88-V92 PolarHBondContact O-N 3.49Å |
| 89 | W | 92.6 | Very high | 84.3 | Confident | 158 Ų | 158 | 72.3 Ų | 72.3 | 60% | 0.598 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.6 | -34.2 | 178.1 | -178 | 78.9 | 0 | 0 | 0 | 112.9 | R85 I86 E87 Q93 | R85-W89 WeakPolarHBondContact O-CB 3.37Å; R85-W89 PolarHBondContact O-N 3.03Å; I86-W89 WeakPolarHBondContact O-CB 3.33Å; I86-W89 PolarHBondContact O-N 3.36Å; E87-W89 VanDerWaalsContact C-N 3.29Å; E87-W89 PolarHBondContact O-N 3.28Å; W89-Q93 VanDerWaalsContact CZ2-CD 3.45Å; W89-Q93 PolarHBondContact O-N 3.06Å; W89-Q93 PolarHBondContact O-NE2 2.98Å; W89-Q93 VanDerWaalsContact O-NE2 3.1Å |
| 90 | K | 92.7 | Very high | 82.1 | Confident | 101 Ų | 101 | 78.9 Ų | 78.9 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.1 | -46.7 | 172.4 | -69.5 | 175.8 | -176 | 173 | 0 | 111.6 | I86 E87 R88 V92 Q93 A94 | I86-K90 WeakPolarHBondContact O-CG 3.31Å; I86-K90 PolarHBondContact O-N 3.03Å; E87-K90 WeakPolarHBondContact O-CB 3.34Å; E87-K90 PolarHBondContact O-N 3.41Å; E87-K90 VanDerWaalsContact O-N 3.16Å; E87-K90 IonicContact OE1-NZ 2.63Å; E87-K90 PolarHBondContact OE1-NZ 2.58Å; R88-K90 VanDerWaalsContact C-N 3.32Å; R88-K90 PolarHBondContact O-N 3.22Å; K90-V92 PolarHBondContact O-N 3.3Å; K90-Q93 PolarHBondContact O-N 3Å; K90-A94 PolarHBondContact O-N 3.03Å |
| 91 | L | 89.6 | Confident | 79.7 | Confident | 21 Ų | 21 | 81.1 Ų | 81.1 | 11% | 0.11 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 179 | -66.6 | 169.9 | 0 | 0 | 0 | 111.8 | E34 A35 E87 R88 Q93 A94 D95 | E34-L91 HydrophobicContact CB-CD1 3.92Å; E34-L91 HydrophobicContact CG-CD1 3.72Å; E34-L91 HydrophobicContact CG-CD2 4.49Å; A35-L91 HydrophobicContact CB-CD1 4.11Å; E87-L91 WeakPolarHBondContact O-CG 3.48Å; E87-L91 PolarHBondContact O-N 2.95Å; R88-L91 PolarHBondContact O-N 2.95Å; L91-Q93 VanDerWaalsContact C-N 3.27Å; L91-Q93 PolarHBondContact O-N 3.28Å; L91-A94 PolarHBondContact O-N 3.3Å; L91-D95 PolarHBondContact O-N 3.06Å |
| 92 | V | 87.1 | Confident | 77.3 | Confident | 65 Ų | 65 | 88.1 Ų | 88.1 | 39% | 0.394 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.3 | -33 | 177.3 | 171.6 | 0 | 0 | 0 | 0 | 112.1 | R88 K90 C96 | R88-V92 HydrophobicContact CG-CG2 4.37Å; R88-V92 VanDerWaalsContact O-CG2 3.27Å; R88-V92 WeakPolarHBondContact O-CG2 3.38Å; R88-V92 PolarHBondContact O-N 3.49Å; K90-V92 PolarHBondContact O-N 3.3Å; V92-C96 PolarHBondContact O-SG 2.79Å |
| 93 | Q | 85.2 | Confident | 74.8 | Confident | 84 Ų | 84 | 91.5 Ų | 91.5 | 39% | 0.393 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -76.6 | -38.1 | 174.2 | -88.4 | 171.4 | 103.5 | 0 | 0 | 113.7 | W89 K90 L91 D95 C96 T97 | W89-Q93 VanDerWaalsContact CZ2-CD 3.45Å; W89-Q93 PolarHBondContact O-N 3.06Å; W89-Q93 PolarHBondContact O-NE2 2.98Å; W89-Q93 VanDerWaalsContact O-NE2 3.1Å; K90-Q93 PolarHBondContact O-N 3Å; L91-Q93 VanDerWaalsContact C-N 3.27Å; L91-Q93 PolarHBondContact O-N 3.28Å; Q93-D95 PolarHBondContact O-N 3.19Å; Q93-C96 WeakPolarHBondContact O-CB 3.41Å; Q93-C96 PolarHBondContact O-N 3.06Å; Q93-T97 PolarHBondContact O-N 3.1Å; Q93-T97 PolarHBondContact O-OG1 2.81Å |
| 94 | A | 78 | Confident | 72.3 | Confident | 37 Ų | 37 | 91.5 Ų | 91.5 | 31% | 0.306 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.2 | -40 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | K90 L91 C96 T97 D98 | K90-A94 PolarHBondContact O-N 3.03Å; L91-A94 PolarHBondContact O-N 3.3Å; A94-C96 VanDerWaalsContact C-N 3.27Å; A94-C96 PolarHBondContact O-N 3.3Å; A94-T97 PolarHBondContact O-N 2.92Å; A94-T97 VanDerWaalsContact O-N 3.07Å; A94-T97 PolarHBondContact O-OG1 2.96Å; A94-D98 WeakPolarHBondContact O-CB 3.29Å; A94-D98 PolarHBondContact O-N 2.96Å |
| 95 | D | 70.3 | Confident | 69.6 | Low | 69 Ų | 69 | 101.3 Ų | 101.3 | 37% | 0.369 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.6 | -34.6 | 174.7 | -69.5 | -14.4 | 0 | 0 | 0 | 113.8 | R31 L91 Q93 T97 | R31-D95 VanDerWaalsContact CZ-CG 3.48Å; R31-D95 IonicContact CZ-OD1 2.72Å; R31-D95 VanDerWaalsContact CZ-OD1 3.24Å; R31-D95 IonicContact CZ-OD2 3.97Å; R31-D95 IonicContact NE-OD1 3.93Å; R31-D95 IonicContact NE-OD2 3.83Å; R31-D95 PolarHBondContact NE-OD2 2.73Å; R31-D95 IonicContact NH1-OD1 3.98Å; R31-D95 IonicContact NH2-OD1 3.39Å; R31-D95 PolarHBondContact NH2-OD1 3.49Å; R31-D95 IonicContact NH2-OD2 2.85Å; R31-D95 PolarHBondContact NH2-OD2 3.13Å; L91-D95 PolarHBondContact O-N 3.06Å; Q93-D95 PolarHBondContact O-N 3.19Å; D95-T97 VanDerWaalsContact C-N 3.3Å |
| 96 | C | 61.9 | Low | 67 | Low | 107 Ų | 107 | 103.8 Ų | 103.8 | 72% | 0.723 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -73.9 | -22.6 | 178 | -69.6 | 0 | 0 | 0 | 0 | 112.4 | V92 Q93 A94 | V92-C96 PolarHBondContact O-SG 2.79Å; Q93-C96 WeakPolarHBondContact O-CB 3.41Å; Q93-C96 PolarHBondContact O-N 3.06Å; A94-C96 VanDerWaalsContact C-N 3.27Å; A94-C96 PolarHBondContact O-N 3.3Å |
| 97 | T | 58.9 | Low | 64.4 | Low | 93 Ų | 93 | 107.7 Ų | 107.7 | 57% | 0.571 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -95.4 | -32.2 | -180 | 52.8 | 0 | 0 | 0 | 0 | 113.2 | Q93 A94 D95 | Q93-T97 PolarHBondContact O-N 3.1Å; Q93-T97 PolarHBondContact O-OG1 2.81Å; A94-T97 PolarHBondContact O-N 2.92Å; A94-T97 VanDerWaalsContact O-N 3.07Å; A94-T97 PolarHBondContact O-OG1 2.96Å; D95-T97 VanDerWaalsContact C-N 3.3Å |
| 98 | D | 52.8 | Low | 62 | Low | 100 Ų | 100 | 111.2 Ų | 111.2 | 54% | 0.535 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -90.9 | -9.5 | -171.6 | -72 | -18.4 | 0 | 0 | 0 | 114.7 | A94 R100 N101 | A94-D98 WeakPolarHBondContact O-CB 3.29Å; A94-D98 PolarHBondContact O-N 2.96Å; D98-R100 PolarHBondContact O-N 3.23Å; D98-N101 PolarHBondContact O-N 2.91Å; D98-N101 VanDerWaalsContact O-N 3.08Å |
| 99 | A | 50.6 | Low | 59.5 | Low | 92 Ų | 92 | 116.9 Ų | 116.9 | 76% | 0.76 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 100 | R | 51.2 | Low | 57.1 | Low | 227 Ų | 227 | 117.5 Ų | 117.5 | 86% | 0.857 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -6.9 | 174 | -76.2 | -172.5 | 176.1 | -176.2 | -0.6 | 115.4 | D98 | D98-R100 PolarHBondContact O-N 3.23Š|
| 101 | N | 44.9 | Very low | 54.9 | Low | 120 Ų | 120 | 119.2 Ų | 119.2 | 64% | 0.642 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -144.7 | 98.6 | -178.9 | -68 | -57.2 | 0 | 0 | 0 | 111.8 | D98 | D98-N101 PolarHBondContact O-N 2.91Å; D98-N101 VanDerWaalsContact O-N 3.08Å |
| 102 | N | 42.8 | Very low | 52.6 | Low | 153 Ų | 153 | 125.6 Ų | 125.6 | 82% | 0.818 | 68% | 0.676 | S | S | * | * | trans | 80.8 | 129.9 | 159.7 | -60 | -44.8 | 0 | 0 | 0 | 119.4 | ||||
| 103 | P | 44.7 | Very low | 50.5 | Low | 117 Ų | 117 | 129.9 Ų | 129.9 | 76% | 0.76 | 70% | 0.696 | S | S | * | * | trans | -84.9 | 177.5 | 169.8 | 43.9 | -38.2 | 0 | 0 | 0 | 109.9 | ||||
| 104 | P | 42.6 | Very low | 48.4 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 81% | 0.812 | 72% | 0.717 | S | S | * | * | -84.2 | 157.1 | -123.8 | 10.9 | 13.2 | 0 | 0 | 0 | 115 | D106 | P104-D106 PolarHBondContact O-N 2.74Š| |||
| 105 | F | 38.6 | Very low | 46.7 | Very low | 206 Ų | 206 | 140.2 Ų | 140.2 | 90% | 0.904 | 74% | 0.744 | S | S | * | * | trans | -34.6 | 121.3 | 167 | -125.9 | -106.7 | 0 | 0 | 0 | 113.9 | ||||
| 106 | D | 40 | Very low | 45.3 | Very low | 144 Ų | 144 | 139.7 Ų | 139.7 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | -86.3 | 115.4 | 166.8 | -152.2 | 5.9 | 0 | 0 | 0 | 108.1 | P104 T108 | P104-D106 PolarHBondContact O-N 2.74Å; D106-T108 PolarHBondContact O-N 2.87Å | ||
| 107 | E | 39.6 | Very low | 44.1 | Very low | 177 Ų | 177 | 142.4 Ų | 142.4 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | -68.5 | 111 | 169.9 | -75.6 | 178 | 140.1 | 0 | 0 | 109 | ||||
| 108 | T | 44.4 | Very low | 43.2 | Very low | 114 Ų | 114 | 143.5 Ų | 143.5 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | -154.6 | 127.3 | 154.1 | 31.1 | 0 | 0 | 0 | 0 | 112.3 | D106 | D106-T108 PolarHBondContact O-N 2.87Š| ||
| 109 | H | 40.7 | Very low | 42.4 | Very low | 145 Ų | 145 | 148 Ų | 148 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | trans | 67.7 | 88 | 148.7 | -88.5 | -78.5 | 0 | 0 | 0 | 119.5 | M111 | H109-M111 WeakPolarHBondContact ND1-CG 3.36Š| ||
| 110 | I | 42.4 | Very low | 41.9 | Very low | 170 Ų | 170 | 152.9 Ų | 152.9 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | -112.9 | 105.7 | 134.4 | -62.6 | -179.3 | 0 | 0 | 0 | 105.9 | ||||
| 111 | M | 47.6 | Very low | 41 | Very low | 138 Ų | 138 | 145.7 Ų | 145.7 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | trans | -69.4 | 138.9 | 173.1 | -63.9 | -135 | 82.5 | 0 | 0 | 109.8 | H109 | H109-M111 WeakPolarHBondContact ND1-CG 3.36Š| ||
| 112 | D | 40.3 | Very low | 40.7 | Very low | 155 Ų | 155 | 149.1 Ų | 149.1 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | -49.8 | 132.4 | 164.5 | -57.8 | -65.8 | 0 | 0 | 0 | 111.4 | ||||
| 113 | D | 43 | Very low | 40.2 | Very low | 155 Ų | 155 | 149.5 Ų | 149.5 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | -138.8 | 90 | 151.4 | -152 | 8.9 | 0 | 0 | 0 | 107.8 | N115 | D113-N115 PolarHBondContact O-N 3.48Š| ||
| 114 | E | 42.4 | Very low | 39.8 | Very low | 176 Ų | 176 | 147.5 Ų | 147.5 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -65.9 | 116.4 | 155.6 | -84.1 | -154.8 | 138.5 | 0 | 0 | 108.3 | ||||
| 115 | N | 42.1 | Very low | 39.3 | Very low | 162 Ų | 162 | 146.6 Ų | 146.6 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | trans | -174 | 140.6 | 136.8 | -103.8 | -34.2 | 0 | 0 | 0 | 112.6 | D113 | D113-N115 PolarHBondContact O-N 3.48Š| ||
| 116 | G | 40.8 | Very low | 39.2 | Very low | 58 Ų | 58 | 144.9 Ų | 144.9 | 60% | 0.598 | 76% | 0.764 | S | S | * | * | trans | 115.8 | 73.4 | 142.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 117 | I | 36.9 | Very low | 39.2 | Very low | 164 Ų | 164 | 145.1 Ų | 145.1 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | 57.6 | 103.8 | 122.1 | -52.5 | 155.7 | 0 | 0 | 0 | 117.1 | |||||
| 118 | S | 38.1 | Very low | 39 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | -171 | 98.5 | 124 | -96 | 0 | 0 | 0 | 0 | 112.9 | R120 | S118-R120 PolarHBondContact O-N 3.41Š| |||
| 119 | H | 36.5 | Very low | 38.7 | Very low | 193 Ų | 193 | 141.6 Ų | 141.6 | 89% | 0.894 | 76% | 0.76 | S | S | * | * | trans | -59.2 | 114 | 150.8 | -69.7 | -81.2 | 0 | 0 | 0 | 109.4 | ||||
| 120 | R | 39.8 | Very low | 38.6 | Very low | 195 Ų | 195 | 141.1 Ų | 141.1 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | -146.9 | 84 | 149.7 | -140.4 | 175.7 | -170 | -144.4 | 4.7 | 110.7 | S118 R122 | S118-R120 PolarHBondContact O-N 3.41Å; R120-R122 PolarHBondContact O-N 3.01Å | ||
| 121 | G | 32.1 | Very low | 38 | Very low | 77 Ų | 77 | 135.5 Ų | 135.5 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | trans | -57.4 | 118.3 | 155.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 122 | R | 39.5 | Very low | 37.5 | Very low | 191 Ų | 191 | 133.9 Ų | 133.9 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | trans | -127.5 | 94.2 | 163.4 | -129.9 | 179.6 | -164.4 | -173.2 | 1.5 | 107.7 | R120 S124 | R120-R122 PolarHBondContact O-N 3.01Å; R122-S124 PolarHBondContact O-N 3.02Å; R122-S124 VanDerWaalsContact O-N 3.1Å | ||
| 123 | N | 33.3 | Very low | 37 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 87% | 0.866 | 75% | 0.754 | S | S | * | * | trans | -53.3 | 108.5 | 154.2 | -64.5 | -21.6 | 0 | 0 | 0 | 106.8 | ||||
| 124 | S | 36.1 | Very low | 36.7 | Very low | 75 Ų | 75 | 136.7 Ų | 136.7 | 52% | 0.524 | 75% | 0.752 | S | S | . | * | trans | -117.3 | 86 | 166.2 | -168.8 | 0 | 0 | 0 | 0 | 107.2 | R122 F126 | R122-S124 PolarHBondContact O-N 3.02Å; R122-S124 VanDerWaalsContact O-N 3.1Å; S124-F126 VanDerWaalsContact C-N 3.33Å; S124-F126 PolarHBondContact O-N 2.96Å; S124-F126 WeakPolarHBondContact OG-CD2 3.4Å; S124-F126 WeakPolarHBondContact OG-CE2 3.36Å | ||
| 125 | T | 31 | Very low | 36.2 | Very low | 105 Ų | 105 | 133 Ų | 133 | 64% | 0.644 | 74% | 0.738 | S | S | * | * | trans | -47.2 | 94.6 | 160.9 | -45.6 | 0 | 0 | 0 | 0 | 108.8 | H127 | T125-H127 PolarHBondContact O-CE1 3.47Å; T125-H127 PolarHBondContact O-NE2 2.79Å | ||
| 126 | F | 37.4 | Very low | 35.8 | Very low | 170 Ų | 170 | 133.8 Ų | 133.8 | 75% | 0.746 | 73% | 0.734 | S | S | * | * | trans | -99.2 | 103 | 162.5 | -77.7 | -69.6 | 0 | 0 | 0 | 107.9 | S124 S128 | S124-F126 VanDerWaalsContact C-N 3.33Å; S124-F126 PolarHBondContact O-N 2.96Å; S124-F126 WeakPolarHBondContact OG-CD2 3.4Å; S124-F126 WeakPolarHBondContact OG-CE2 3.36Å; F126-S128 PolarHBondContact O-N 2.73Å | ||
| 127 | H | 38.7 | Very low | 35.7 | Very low | 149 Ų | 149 | 135 Ų | 135 | 69% | 0.69 | 74% | 0.739 | S | S | * | * | trans | -44.7 | 102.1 | 166.5 | -26.5 | -73 | 0 | 0 | 0 | 108.4 | T125 S129 | T125-H127 PolarHBondContact O-CE1 3.47Å; T125-H127 PolarHBondContact O-NE2 2.79Å; H127-S129 VanDerWaalsContact C-N 3.3Å; H127-S129 PolarHBondContact O-N 3.26Å | ||
| 128 | S | 35.7 | Very low | 35.7 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | -74.7 | 92.6 | 167.2 | -63.1 | 0 | 0 | 0 | 0 | 106.4 | F126 P130 | F126-S128 PolarHBondContact O-N 2.73Å; S128-P130 WeakPolarHBondContact O-CD 3.39Å | ||
| 129 | S | 39.5 | Very low | 35.6 | Very low | 103 Ų | 103 | 135.8 Ų | 135.8 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | trans | -52.7 | 122.8 | 168.6 | -69.2 | 0 | 0 | 0 | 0 | 109 | H127 G131 | H127-S129 VanDerWaalsContact C-N 3.3Å; H127-S129 PolarHBondContact O-N 3.26Å; S129-G131 PolarHBondContact O-N 2.66Å | ||
| 130 | P | 37.1 | Very low | 35.7 | Very low | 134 Ų | 134 | 134 Ų | 134 | 87% | 0.87 | 72% | 0.719 | S | S | * | * | trans | -77 | 79.6 | 174.3 | 30.8 | -30.4 | 0 | 0 | 0 | 107.9 | S128 | S128-P130 WeakPolarHBondContact O-CD 3.39Š| ||
| 131 | G | 30.7 | Very low | 35.9 | Very low | 53 Ų | 53 | 128.3 Ų | 128.3 | 55% | 0.546 | 71% | 0.708 | S | S | . | * | trans | -141.9 | 121.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | S129 | S129-G131 PolarHBondContact O-N 2.66Š| ||
| 132 | T | 35.8 | Very low | 36.4 | Very low | 104 Ų | 104 | 129.2 Ų | 129.2 | 64% | 0.638 | 70% | 0.701 | S | S | * | * | trans | 93.6 | 39.1 | 177.5 | -26.8 | 0 | 0 | 0 | 0 | 116 | Q134 | T132-Q134 PolarHBondContact O-N 3.48Š| ||
| 133 | F | 30.6 | Very low | 36.7 | Very low | 197 Ų | 197 | 124.3 Ų | 124.3 | 86% | 0.864 | 69% | 0.689 | S | S | * | * | trans | -84.7 | 50.2 | 142.8 | -75.3 | -78.9 | 0 | 0 | 0 | 110 | ||||
| 134 | Q | 37.2 | Very low | 37.7 | Very low | 172 Ų | 172 | 120.2 Ų | 120.2 | 80% | 0.804 | 67% | 0.67 | S | S | * | * | trans | -145.8 | 69.5 | 173.2 | -82.5 | -173.5 | -11.8 | 0 | 0 | 106.8 | T132 | T132-Q134 PolarHBondContact O-N 3.48Š| ||
| 135 | N | 31.6 | Very low | 38.8 | Very low | 98 Ų | 98 | 124.5 Ų | 124.5 | 52% | 0.524 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -161.9 | 2.1 | 165.4 | -95.4 | -27.9 | 0 | 0 | 0 | 114.4 | A137 | N135-A137 VanDerWaalsContact C-N 3.28Š|
| 136 | F | 33.5 | Very low | 40.1 | Very low | 178 Ų | 178 | 126.5 Ų | 126.5 | 78% | 0.781 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | 5 | 171.2 | -67.3 | -74.4 | 0 | 0 | 0 | 113.8 | ||
| 137 | A | 39.1 | Very low | 41.4 | Very low | 84 Ų | 84 | 122 Ų | 122 | 69% | 0.694 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -4.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | N135 | N135-A137 VanDerWaalsContact C-N 3.28Š|
| 138 | N | 36.8 | Very low | 42.7 | Very low | 118 Ų | 118 | 117 Ų | 117 | 63% | 0.631 | 64% | 0.639 | S | S | * | * | trans | -106 | 11.7 | -174.3 | -66.8 | -27.5 | 0 | 0 | 0 | 114.4 | ||||
| 139 | F | 35.8 | Very low | 44.5 | Very low | 179 Ų | 179 | 117.8 Ų | 117.8 | 79% | 0.785 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -88 | -3.3 | 171.6 | -92.1 | -86.2 | 0 | 0 | 0 | 113.7 | ||
| 140 | E | 38.9 | Very low | 45.9 | Very low | 154 Ų | 154 | 116.2 Ų | 116.2 | 72% | 0.72 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 114 | 151.4 | -83.4 | -124.2 | 150.4 | 0 | 0 | 105.7 | ||
| 141 | P | 44 | Very low | 47.4 | Very low | 76 Ų | 76 | 113.5 Ų | 113.5 | 49% | 0.494 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | -147.2 | 56.4 | 50.7 | 33.9 | -8.4 | 0 | 0 | 0 | 113 | |||
| 142 | C | 41.7 | Very low | 49.3 | Very low | 96 Ų | 96 | 118.3 Ų | 118.3 | 65% | 0.649 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -86.8 | -30.2 | 178.8 | -158.6 | 0 | 0 | 0 | 0 | 113 | ||
| 143 | L | 47.1 | Very low | 51.3 | Low | 89 Ų | 89 | 121.4 Ų | 121.4 | 47% | 0.466 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -72.3 | -34.1 | 175.5 | -67.8 | 168.7 | 0 | 0 | 0 | 111.8 | K145 K146 Y147 Y311 | L143-K145 VanDerWaalsContact C-N 3.27Å; L143-K145 PolarHBondContact O-N 3.5Å; L143-K146 PolarHBondContact O-N 2.9Å; L143-Y147 HydrophobicContact CB-CE2 4.35Å; L143-Y147 HydrophobicContact CD2-CE2 4.04Å; L143-Y147 WeakPolarHBondContact O-CD2 3.35Å; L143-Y147 PolarHBondContact O-N 3.34Å; L143-Y311 HydrophobicContact CD2-CE2 4.15Å |
| 144 | T | 53.4 | Low | 53.4 | Low | 76 Ų | 76 | 114.3 Ų | 114.3 | 47% | 0.466 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.2 | -33.3 | -178.7 | -33.5 | 0 | 0 | 0 | 0 | 112.8 | S148 | T144-S148 PolarHBondContact O-OG 2.91Å |
| 145 | K | 58.6 | Low | 55.4 | Low | 165 Ų | 165 | 112.1 Ų | 112.1 | 72% | 0.717 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -77.5 | -30.2 | 179.5 | -67 | -177.5 | -179.7 | -179.2 | 0 | 113.6 | L143 S148 | L143-K145 VanDerWaalsContact C-N 3.27Å; L143-K145 PolarHBondContact O-N 3.5Å; K145-S148 PolarHBondContact O-OG 2.87Å |
| 146 | K | 59.7 | Low | 57.7 | Low | 146 Ų | 146 | 111.7 Ų | 111.7 | 64% | 0.635 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -75 | -25.6 | 179.7 | -84.4 | -170.5 | 172.1 | -170.8 | 0 | 112.9 | L143 | L143-K146 PolarHBondContact O-N 2.9Å |
| 147 | Y | 63.7 | Low | 60 | Low | 75 Ų | 75 | 107.7 Ų | 107.7 | 29% | 0.294 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109.7 | 13.8 | -175.6 | -55.7 | -61.8 | 0 | 0 | 0 | 114.1 | L143 H149 L150 I151 Y311 | L143-Y147 HydrophobicContact CB-CE2 4.35Å; L143-Y147 HydrophobicContact CD2-CE2 4.04Å; L143-Y147 WeakPolarHBondContact O-CD2 3.35Å; L143-Y147 PolarHBondContact O-N 3.34Å; Y147-H149 PolarHBondContact O-N 3.44Å; Y147-L150 HydrophobicContact CD1-CD1 3.5Å; Y147-L150 VanDerWaalsContact CD1-CD1 3.5Å; Y147-L150 HydrophobicContact CD1-CG 4.45Å; Y147-L150 HydrophobicContact CE1-CD1 4.32Å; Y147-L150 HydrophobicContact CG-CD1 4.18Å; Y147-L150 WeakPolarHBondContact O-CA 3.44Å; Y147-L150 WeakPolarHBondContact O-CB 3.45Å; Y147-L150 PolarHBondContact O-N 2.97Å; Y147-I151 PolarHBondContact O-N 3.27Å; Y147-I151 VanDerWaalsContact O-N 3.08Å; Y147-Y311 WeakPolarHBondContact OH-CD2 3.36Å; Y147-Y311 VanDerWaalsContact OH-CE2 3.22Å; Y147-Y311 WeakPolarHBondContact OH-CE2 3.31Å |
| 148 | S | 66.6 | Low | 61.9 | Low | 44 Ų | 44 | 107.8 Ų | 107.8 | 31% | 0.308 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -50.8 | -43.2 | 177.3 | -43.3 | 0 | 0 | 0 | 0 | 112.2 | T144 K145 L150 I151 E152 | T144-S148 PolarHBondContact O-OG 2.91Å; K145-S148 PolarHBondContact O-OG 2.87Å; S148-L150 VanDerWaalsContact C-N 3.26Å; S148-L150 PolarHBondContact O-N 3.3Å; S148-I151 WeakPolarHBondContact O-CB 3.36Å; S148-I151 PolarHBondContact O-N 3.45Å; S148-E152 PolarHBondContact O-N 3.3Å |
| 149 | H | 73.3 | Confident | 64.1 | Low | 133 Ų | 133 | 105.4 Ų | 105.4 | 62% | 0.616 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -70.2 | -17.5 | 177.9 | -56.7 | -36.3 | 0 | 0 | 0 | 114.4 | Y147 E152 K153 | Y147-H149 PolarHBondContact O-N 3.44Å; H149-E152 IonicContact ND1-OE2 3.52Å; H149-K153 WeakPolarHBondContact O-CG 3.39Å |
| 150 | L | 67.8 | Low | 66.4 | Low | 70 Ų | 70 | 104 Ų | 104 | 37% | 0.366 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -83.9 | -36.6 | 172.4 | -63.6 | 179.2 | 0 | 0 | 0 | 110.7 | Y147 S148 E152 K153 L154 M307 | Y147-L150 HydrophobicContact CD1-CD1 3.5Å; Y147-L150 VanDerWaalsContact CD1-CD1 3.5Å; Y147-L150 HydrophobicContact CD1-CG 4.45Å; Y147-L150 HydrophobicContact CE1-CD1 4.32Å; Y147-L150 HydrophobicContact CG-CD1 4.18Å; Y147-L150 WeakPolarHBondContact O-CA 3.44Å; Y147-L150 WeakPolarHBondContact O-CB 3.45Å; Y147-L150 PolarHBondContact O-N 2.97Å; S148-L150 VanDerWaalsContact C-N 3.26Å; S148-L150 PolarHBondContact O-N 3.3Å; L150-E152 VanDerWaalsContact C-N 3.3Å; L150-E152 PolarHBondContact O-N 3.43Å; L150-K153 PolarHBondContact O-N 3.02Å; L150-L154 WeakPolarHBondContact O-CD1 3.38Å; L150-L154 PolarHBondContact O-N 3.48Å; L150-M307 HydrophobicContact CD2-CE 4.45Å; L150-M307 HydrophobicContact CD2-SD 4.29Å |
| 151 | I | 68.9 | Low | 68.5 | Low | 77 Ų | 77 | 102.7 Ų | 102.7 | 40% | 0.395 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -40 | 175.8 | -63.3 | 171.7 | 0 | 0 | 0 | 110.8 | Y147 S148 K153 L154 L159 | Y147-I151 PolarHBondContact O-N 3.27Å; Y147-I151 VanDerWaalsContact O-N 3.08Å; S148-I151 WeakPolarHBondContact O-CB 3.36Å; S148-I151 PolarHBondContact O-N 3.45Å; I151-K153 VanDerWaalsContact C-N 3.27Å; I151-K153 PolarHBondContact O-N 3.05Å; I151-L154 PolarHBondContact O-N 2.9Å; I151-L159 HydrophobicContact CG2-CD2 4Å |
| 152 | E | 71.4 | Confident | 70.2 | Confident | 153 Ų | 153 | 102.6 Ų | 102.6 | 72% | 0.715 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -21 | 177.5 | -71.9 | 171.6 | 176.6 | 0 | 0 | 114.3 | S148 H149 L150 | S148-E152 PolarHBondContact O-N 3.3Å; H149-E152 IonicContact ND1-OE2 3.52Å; L150-E152 VanDerWaalsContact C-N 3.3Å; L150-E152 PolarHBondContact O-N 3.43Å |
| 153 | K | 78 | Confident | 72.2 | Confident | 169 Ų | 169 | 103.6 Ų | 103.6 | 74% | 0.735 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -6.9 | -178 | -69 | -179.7 | -177 | 178.9 | 0 | 113.9 | H149 L150 I151 | H149-K153 WeakPolarHBondContact O-CG 3.39Å; L150-K153 PolarHBondContact O-N 3.02Å; I151-K153 VanDerWaalsContact C-N 3.27Å; I151-K153 PolarHBondContact O-N 3.05Å |
| 154 | L | 74.8 | Confident | 74 | Confident | 49 Ų | 49 | 104.2 Ų | 104.2 | 26% | 0.257 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -79.2 | 136.9 | -179.5 | -81.7 | 148 | 0 | 0 | 0 | 110.4 | L150 I151 E158 L159 I162 | L150-L154 WeakPolarHBondContact O-CD1 3.38Å; L150-L154 PolarHBondContact O-N 3.48Å; I151-L154 PolarHBondContact O-N 2.9Å; L154-E158 HydrophobicContact CB-CB 4.39Å; L154-E158 HydrophobicContact CD2-CB 3.53Å; L154-E158 HydrophobicContact CD2-CG 4.31Å; L154-L159 HydrophobicContact CB-CD2 4.12Å; L154-L159 HydrophobicContact CB-CG 4.01Å; L154-L159 HydrophobicContact CD1-CD2 4.43Å; L154-I162 HydrophobicContact CD1-CD1 3.96Å; L154-I162 HydrophobicContact CD2-CD1 4.07Å |
| 155 | Q | 79.2 | Confident | 75.4 | Confident | 125 Ų | 125 | 107.2 Ų | 107.2 | 58% | 0.584 | 52% | 0.52 | S | S | * | . | trans | -64.7 | 150.1 | 173.2 | -68 | -70.6 | -50.2 | 0 | 0 | 109.9 | T157 E158 L159 | Q155-T157 PolarHBondContact O-N 3.37Å; Q155-E158 HydrophobicContact CB-CG 4.21Å; Q155-E158 PolarHBondContact N-OE2 3.09Å; Q155-E158 WeakPolarHBondContact O-CA 3.31Å; Q155-E158 WeakPolarHBondContact O-CB 3.29Å; Q155-E158 PolarHBondContact O-N 3.44Å; Q155-L159 PolarHBondContact O-N 2.83Å; Q155-L159 VanDerWaalsContact O-N 3.1Å | ||
| 156 | P | 80.1 | Confident | 76.5 | Confident | 90 Ų | 90 | 104.7 Ų | 104.7 | 58% | 0.584 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -53.4 | -30.4 | 179.2 | -27.2 | 34.1 | 0 | 0 | 0 | 114 | K160 | P156-K160 PolarHBondContact O-N 3.19Å; P156-K160 VanDerWaalsContact O-N 3.12Å |
| 157 | T | 81.3 | Confident | 77.5 | Confident | 94 Ų | 94 | 105.8 Ų | 105.8 | 58% | 0.577 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.4 | -38.3 | 175.4 | -43.6 | 0 | 0 | 0 | 0 | 112.6 | Q155 Q161 | Q155-T157 PolarHBondContact O-N 3.37Å; T157-Q161 WeakPolarHBondContact O-CG 3.39Å; T157-Q161 PolarHBondContact O-N 2.76Å; T157-Q161 VanDerWaalsContact O-N 3.08Å |
| 158 | E | 79.3 | Confident | 78.3 | Confident | 86 Ų | 86 | 108.5 Ų | 108.5 | 40% | 0.402 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.1 | -38.2 | 178.9 | -60.7 | 175.2 | 128.8 | 0 | 0 | 110.4 | L154 Q155 Q161 I162 | L154-E158 HydrophobicContact CB-CB 4.39Å; L154-E158 HydrophobicContact CD2-CB 3.53Å; L154-E158 HydrophobicContact CD2-CG 4.31Å; Q155-E158 HydrophobicContact CB-CG 4.21Å; Q155-E158 PolarHBondContact N-OE2 3.09Å; Q155-E158 WeakPolarHBondContact O-CA 3.31Å; Q155-E158 WeakPolarHBondContact O-CB 3.29Å; Q155-E158 PolarHBondContact O-N 3.44Å; E158-Q161 PolarHBondContact O-N 3.06Å; E158-I162 VanDerWaalsContact O-CG1 3.29Å; E158-I162 WeakPolarHBondContact O-CG1 3.38Å; E158-I162 PolarHBondContact O-N 3.49Å |
| 159 | L | 83.3 | Confident | 78.8 | Confident | 68 Ų | 68 | 114.2 Ų | 114.2 | 36% | 0.356 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.5 | -47.6 | 171.9 | -71.4 | 169 | 0 | 0 | 0 | 111.7 | I151 L154 Q155 Q161 I162 E163 | I151-L159 HydrophobicContact CG2-CD2 4Å; L154-L159 HydrophobicContact CB-CD2 4.12Å; L154-L159 HydrophobicContact CB-CG 4.01Å; L154-L159 HydrophobicContact CD1-CD2 4.43Å; Q155-L159 PolarHBondContact O-N 2.83Å; Q155-L159 VanDerWaalsContact O-N 3.1Å; L159-Q161 VanDerWaalsContact C-N 3.3Å; L159-Q161 PolarHBondContact O-N 3.1Å; L159-I162 PolarHBondContact O-N 3.3Å; L159-E163 WeakPolarHBondContact O-CB 3.34Å; L159-E163 PolarHBondContact O-N 2.99Å |
| 160 | K | 83.8 | Confident | 79 | Confident | 150 Ų | 150 | 113.3 Ų | 113.3 | 65% | 0.652 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.3 | -37.2 | 174.9 | -79.5 | -177.1 | 177.7 | -178.6 | 0 | 112.9 | P156 L164 | P156-K160 PolarHBondContact O-N 3.19Å; P156-K160 VanDerWaalsContact O-N 3.12Å; K160-L164 VanDerWaalsContact O-CB 3.3Å; K160-L164 WeakPolarHBondContact O-CB 3.45Å; K160-L164 PolarHBondContact O-N 2.89Å |
| 161 | Q | 81.9 | Confident | 79.3 | Confident | 126 Ų | 126 | 114.8 Ų | 114.8 | 59% | 0.589 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.2 | -42.4 | 176.6 | -77.4 | 178 | 9.1 | 0 | 0 | 112 | T157 E158 L159 L164 M165 | T157-Q161 WeakPolarHBondContact O-CG 3.39Å; T157-Q161 PolarHBondContact O-N 2.76Å; T157-Q161 VanDerWaalsContact O-N 3.08Å; E158-Q161 PolarHBondContact O-N 3.06Å; L159-Q161 VanDerWaalsContact C-N 3.3Å; L159-Q161 PolarHBondContact O-N 3.1Å; Q161-L164 PolarHBondContact O-N 3.29Å; Q161-M165 WeakPolarHBondContact O-CB 3.27Å; Q161-M165 PolarHBondContact O-N 3.1Å |
| 162 | I | 81.5 | Confident | 79.2 | Confident | 74 Ų | 74 | 115.8 Ų | 115.8 | 38% | 0.379 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 176.9 | -67.1 | 164.3 | 0 | 0 | 0 | 110.2 | L154 E158 L159 L164 M165 Q166 | L154-I162 HydrophobicContact CD1-CD1 3.96Å; L154-I162 HydrophobicContact CD2-CD1 4.07Å; E158-I162 VanDerWaalsContact O-CG1 3.29Å; E158-I162 WeakPolarHBondContact O-CG1 3.38Å; E158-I162 PolarHBondContact O-N 3.49Å; L159-I162 PolarHBondContact O-N 3.3Å; I162-L164 PolarHBondContact O-N 2.69Å; I162-M165 WeakPolarHBondContact O-CB 3.36Å; I162-M165 PolarHBondContact O-N 3.37Å; I162-Q166 WeakPolarHBondContact O-CG 3.47Å; I162-Q166 PolarHBondContact O-N 3.31Å |
| 163 | E | 82.3 | Confident | 78.7 | Confident | 116 Ų | 116 | 114.7 Ų | 114.7 | 54% | 0.542 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 177.2 | -169.1 | -178.5 | 177.5 | 0 | 0 | 111.5 | L159 M165 Q166 R167 | L159-E163 WeakPolarHBondContact O-CB 3.34Å; L159-E163 PolarHBondContact O-N 2.99Å; E163-M165 VanDerWaalsContact C-N 3.33Å; E163-M165 PolarHBondContact O-N 3.19Å; E163-Q166 PolarHBondContact O-N 3.45Å; E163-R167 WeakPolarHBondContact O-CB 3.43Å; E163-R167 PolarHBondContact O-N 3.43Å |
| 164 | L | 86.1 | Confident | 77.8 | Confident | 103 Ų | 103 | 111.3 Ų | 111.3 | 54% | 0.539 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 174.4 | -164.1 | 88.5 | 0 | 0 | 0 | 111.8 | K160 Q161 I162 K168 | K160-L164 VanDerWaalsContact O-CB 3.3Å; K160-L164 WeakPolarHBondContact O-CB 3.45Å; K160-L164 PolarHBondContact O-N 2.89Å; Q161-L164 PolarHBondContact O-N 3.29Å; I162-L164 PolarHBondContact O-N 2.69Å; L164-K168 WeakPolarHBondContact O-CB 3.44Å; L164-K168 WeakPolarHBondContact O-CG 3.33Å; L164-K168 PolarHBondContact O-N 3.17Å |
| 165 | M | 82.3 | Confident | 76.9 | Confident | 139 Ų | 139 | 112.6 Ų | 112.6 | 69% | 0.685 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.5 | -46.1 | 176 | -105.5 | -104.8 | -64.2 | 0 | 0 | 112 | Q161 I162 E163 R167 K168 Y169 | Q161-M165 WeakPolarHBondContact O-CB 3.27Å; Q161-M165 PolarHBondContact O-N 3.1Å; I162-M165 WeakPolarHBondContact O-CB 3.36Å; I162-M165 PolarHBondContact O-N 3.37Å; E163-M165 VanDerWaalsContact C-N 3.33Å; E163-M165 PolarHBondContact O-N 3.19Å; M165-R167 VanDerWaalsContact C-N 3.35Å; M165-K168 PolarHBondContact O-N 2.97Å; M165-Y169 WeakPolarHBondContact O-CB 3.45Å; M165-Y169 PolarHBondContact O-N 2.95Å |
| 166 | Q | 81.7 | Confident | 75.5 | Confident | 111 Ų | 111 | 112 Ų | 112 | 52% | 0.519 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 176.2 | -76.9 | 179.4 | -18.3 | 0 | 0 | 111.1 | I162 E163 K168 Y169 Q170 | I162-Q166 WeakPolarHBondContact O-CG 3.47Å; I162-Q166 PolarHBondContact O-N 3.31Å; E163-Q166 PolarHBondContact O-N 3.45Å; Q166-K168 PolarHBondContact O-N 3.28Å; Q166-Y169 PolarHBondContact O-N 3.22Å; Q166-Q170 WeakPolarHBondContact O-CB 3.5Å; Q166-Q170 WeakPolarHBondContact O-CG 3.37Å; Q166-Q170 PolarHBondContact O-N 3.2Å |
| 167 | R | 81.4 | Confident | 74 | Confident | 170 Ų | 170 | 114.6 Ų | 114.6 | 64% | 0.642 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.5 | -43.5 | 176 | -157.4 | -179.2 | -150.9 | 145.6 | 3.4 | 111.6 | E163 M165 Q170 Q171 | E163-R167 WeakPolarHBondContact O-CB 3.43Å; E163-R167 PolarHBondContact O-N 3.43Å; M165-R167 VanDerWaalsContact C-N 3.35Å; R167-Q170 PolarHBondContact O-N 2.65Å; R167-Q171 VanDerWaalsContact O-CB 3.28Å; R167-Q171 WeakPolarHBondContact O-CB 3.42Å; R167-Q171 PolarHBondContact O-N 2.93Å |
| 168 | K | 80.2 | Confident | 72.6 | Confident | 132 Ų | 132 | 114.6 Ų | 114.6 | 57% | 0.574 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.4 | -39.9 | 173.7 | -79.6 | -173.8 | 176.8 | -172.5 | 0 | 112.7 | L164 M165 Q166 Q171 N172 | L164-K168 WeakPolarHBondContact O-CB 3.44Å; L164-K168 WeakPolarHBondContact O-CG 3.33Å; L164-K168 PolarHBondContact O-N 3.17Å; M165-K168 PolarHBondContact O-N 2.97Å; Q166-K168 PolarHBondContact O-N 3.28Å; K168-Q171 PolarHBondContact O-N 3.35Å; K168-N172 WeakPolarHBondContact O-CB 3.39Å; K168-N172 VanDerWaalsContact O-CG 3.3Å; K168-N172 PolarHBondContact O-N 3.5Å |
| 169 | Y | 77.5 | Confident | 70.8 | Confident | 163 Ų | 163 | 114.4 Ų | 114.4 | 64% | 0.639 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67 | -42.3 | 177.8 | -177.4 | -98.7 | 0 | 0 | 0 | 111.7 | M165 Q166 N172 K173 | M165-Y169 WeakPolarHBondContact O-CB 3.45Å; M165-Y169 PolarHBondContact O-N 2.95Å; Q166-Y169 PolarHBondContact O-N 3.22Å; Y169-N172 PolarHBondContact O-N 3.35Å; Y169-K173 WeakPolarHBondContact O-CB 3.4Å; Y169-K173 PolarHBondContact O-N 3.09Å |
| 170 | Q | 77.2 | Confident | 68.7 | Low | 114 Ų | 114 | 118.5 Ų | 118.5 | 53% | 0.533 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.2 | -42.2 | 174.2 | -71.4 | 177.2 | -1.2 | 0 | 0 | 111.5 | Q166 R167 K173 I174 | Q166-Q170 WeakPolarHBondContact O-CB 3.5Å; Q166-Q170 WeakPolarHBondContact O-CG 3.37Å; Q166-Q170 PolarHBondContact O-N 3.2Å; R167-Q170 PolarHBondContact O-N 2.65Å; Q170-K173 PolarHBondContact O-N 3.4Å; Q170-I174 WeakPolarHBondContact O-CD1 3.37Å; Q170-I174 VanDerWaalsContact O-CG1 3.27Å; Q170-I174 WeakPolarHBondContact O-CG1 3.45Å; Q170-I174 PolarHBondContact O-N 3.49Å |
| 171 | Q | 74.3 | Confident | 66.4 | Low | 102 Ų | 102 | 113.3 Ų | 113.3 | 48% | 0.477 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59.2 | -50.8 | 174.4 | -162.5 | 69.2 | 43.8 | 0 | 0 | 110.7 | R167 K168 K173 I174 D175 | R167-Q171 VanDerWaalsContact O-CB 3.28Å; R167-Q171 WeakPolarHBondContact O-CB 3.42Å; R167-Q171 PolarHBondContact O-N 2.93Å; K168-Q171 PolarHBondContact O-N 3.35Å; Q171-K173 VanDerWaalsContact C-N 3.28Å; Q171-K173 PolarHBondContact O-N 3.29Å; Q171-I174 PolarHBondContact O-N 3.1Å; Q171-I174 VanDerWaalsContact O-N 3.08Å; Q171-D175 WeakPolarHBondContact O-CB 3.41Å; Q171-D175 PolarHBondContact O-N 3.04Å |
| 172 | N | 66.1 | Low | 64.5 | Low | 98 Ų | 98 | 116.2 Ų | 116.2 | 52% | 0.524 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.3 | -35 | 175.6 | -75.2 | -12.9 | 0 | 0 | 0 | 112.4 | K168 Y169 I174 D175 C176 | K168-N172 WeakPolarHBondContact O-CB 3.39Å; K168-N172 VanDerWaalsContact O-CG 3.3Å; K168-N172 PolarHBondContact O-N 3.5Å; Y169-N172 PolarHBondContact O-N 3.35Å; N172-I174 VanDerWaalsContact C-N 3.33Å; N172-D175 PolarHBondContact O-N 3.38Å; N172-C176 VanDerWaalsContact O-CB 3.23Å; N172-C176 WeakPolarHBondContact O-CB 3.39Å; N172-C176 PolarHBondContact O-N 2.9Å; N172-C176 PolarHBondContact O-SG 3.36Å |
| 173 | K | 61 | Low | 62.5 | Low | 130 Ų | 130 | 119.4 Ų | 119.4 | 57% | 0.565 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.8 | -35.5 | 176.2 | -167.2 | -179.6 | 179.7 | -174.6 | 0 | 111.7 | Y169 Q170 Q171 L177 | Y169-K173 WeakPolarHBondContact O-CB 3.4Å; Y169-K173 PolarHBondContact O-N 3.09Å; Q170-K173 PolarHBondContact O-N 3.4Å; Q171-K173 VanDerWaalsContact C-N 3.28Å; Q171-K173 PolarHBondContact O-N 3.29Å; K173-L177 WeakPolarHBondContact O-CD1 3.41Å |
| 174 | I | 59.4 | Low | 60.4 | Low | 98 Ų | 98 | 119.4 Ų | 119.4 | 50% | 0.503 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -74.4 | -40.3 | 175.9 | -64.9 | 163.1 | 0 | 0 | 0 | 110.6 | Q170 Q171 N172 L177 S178 | Q170-I174 WeakPolarHBondContact O-CD1 3.37Å; Q170-I174 VanDerWaalsContact O-CG1 3.27Å; Q170-I174 WeakPolarHBondContact O-CG1 3.45Å; Q170-I174 PolarHBondContact O-N 3.49Å; Q171-I174 PolarHBondContact O-N 3.1Å; Q171-I174 VanDerWaalsContact O-N 3.08Å; N172-I174 VanDerWaalsContact C-N 3.33Å; I174-L177 PolarHBondContact O-N 2.88Å; I174-S178 PolarHBondContact O-N 2.93Å; I174-S178 PolarHBondContact O-OG 2.98Å |
| 175 | D | 54.8 | Low | 58.4 | Low | 76 Ų | 76 | 126.1 Ų | 126.1 | 41% | 0.406 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -68.9 | -34.5 | 179.2 | -61.8 | -22 | 0 | 0 | 0 | 111.6 | Q171 N172 L177 S178 S179 | Q171-D175 WeakPolarHBondContact O-CB 3.41Å; Q171-D175 PolarHBondContact O-N 3.04Å; N172-D175 PolarHBondContact O-N 3.38Å; D175-L177 VanDerWaalsContact C-N 3.28Å; D175-L177 PolarHBondContact O-N 3.09Å; D175-S178 PolarHBondContact O-N 3.4Å; D175-S179 PolarHBondContact O-N 3.07Å |
| 176 | C | 49.5 | Very low | 56.4 | Low | 111 Ų | 111 | 123.3 Ų | 123.3 | 75% | 0.75 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71.3 | -15.8 | 174.7 | -71.2 | 0 | 0 | 0 | 0 | 114.4 | N172 | N172-C176 VanDerWaalsContact O-CB 3.23Å; N172-C176 WeakPolarHBondContact O-CB 3.39Å; N172-C176 PolarHBondContact O-N 2.9Å; N172-C176 PolarHBondContact O-SG 3.36Å |
| 177 | L | 50 | Low | 54.6 | Low | 146 Ų | 146 | 126.8 Ų | 126.8 | 76% | 0.764 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -99.3 | -9.2 | 176 | -78.7 | 158.7 | 0 | 0 | 0 | 112.8 | K173 I174 D175 | K173-L177 WeakPolarHBondContact O-CD1 3.41Å; I174-L177 PolarHBondContact O-N 2.88Å; D175-L177 VanDerWaalsContact C-N 3.28Å; D175-L177 PolarHBondContact O-N 3.09Å |
| 178 | S | 50.6 | Low | 52.8 | Low | 94 Ų | 94 | 126.5 Ų | 126.5 | 66% | 0.657 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -123.3 | -7.9 | -169.6 | -51.5 | 0 | 0 | 0 | 0 | 115.7 | I174 D175 | I174-S178 PolarHBondContact O-N 2.93Å; I174-S178 PolarHBondContact O-OG 2.98Å; D175-S178 PolarHBondContact O-N 3.4Å |
| 179 | S | 41.3 | Very low | 50.9 | Low | 82 Ų | 82 | 127 Ų | 127 | 57% | 0.573 | 67% | 0.671 | S | S | * | * | trans | -138.5 | 86.1 | -179.7 | -164.5 | 0 | 0 | 0 | 0 | 113.8 | D175 G181 | D175-S179 PolarHBondContact O-N 3.07Å; S179-G181 PolarHBondContact O-N 3.48Å; S179-G181 VanDerWaalsContact O-N 3.15Å; S179-G181 PolarHBondContact OG-O 3.25Å; S179-G181 VanDerWaalsContact OG-O 3.11Å | ||
| 180 | T | 38.7 | Very low | 49 | Very low | 154 Ų | 154 | 126.7 Ų | 126.7 | 95% | 0.945 | 68% | 0.68 | S | S | * | * | trans | -62.7 | 99.6 | 145.3 | 41.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 181 | G | 35.9 | Very low | 47.2 | Very low | 40 Ų | 40 | 127.1 Ų | 127.1 | 41% | 0.412 | 69% | 0.69 | S | S | . | * | trans | 134.2 | 139.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S179 | S179-G181 PolarHBondContact O-N 3.48Å; S179-G181 VanDerWaalsContact O-N 3.15Å; S179-G181 PolarHBondContact OG-O 3.25Å; S179-G181 VanDerWaalsContact OG-O 3.11Å | ||
| 182 | F | 42.1 | Very low | 45.7 | Very low | 188 Ų | 188 | 129 Ų | 129 | 83% | 0.825 | 70% | 0.702 | S | S | * | * | trans | 90.3 | 99.1 | 163.2 | -58.8 | -82.8 | 0 | 0 | 0 | 118.7 | ||||
| 183 | L | 39.9 | Very low | 44.5 | Very low | 140 Ų | 140 | 131.3 Ų | 131.3 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | 60.8 | 108.2 | 125.5 | -55 | 175.7 | 0 | 0 | 0 | 116.2 | R185 | L183-R185 PolarHBondContact O-N 3.08Š| |||
| 184 | S | 38.6 | Very low | 43.2 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | 41.6 | 80.2 | 88.4 | -168 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 185 | R | 43.9 | Very low | 42.2 | Very low | 244 Ų | 244 | 131.9 Ų | 131.9 | 92% | 0.921 | 74% | 0.738 | S | S | * | * | trans | -158.3 | 117.4 | 157.7 | -113.7 | 167.5 | 179.7 | -178.9 | -0.4 | 111.5 | L183 | L183-R185 PolarHBondContact O-N 3.08Š| ||
| 186 | S | 39.8 | Very low | 41.2 | Very low | 79 Ų | 79 | 133 Ų | 133 | 55% | 0.552 | 76% | 0.758 | S | S | * | * | trans | 81 | 71.8 | 141.7 | -173.2 | 0 | 0 | 0 | 0 | 118.5 | Q188 | S186-Q188 PolarHBondContact O-N 3.15Š| ||
| 187 | L | 43.4 | Very low | 40.9 | Very low | 184 Ų | 184 | 133.6 Ų | 133.6 | 96% | 0.963 | 76% | 0.763 | S | S | * | * | trans | -80.4 | 54.1 | 147.4 | -72.4 | 175.2 | 0 | 0 | 0 | 111.3 | ||||
| 188 | Q | 45.2 | Very low | 40.9 | Very low | 165 Ų | 165 | 137.6 Ų | 137.6 | 77% | 0.771 | 77% | 0.767 | S | S | * | * | trans | -124.5 | 1.9 | 179.5 | -76.2 | -175 | -1.5 | 0 | 0 | 115.4 | S186 | S186-Q188 PolarHBondContact O-N 3.15Š| ||
| 189 | N | 40.6 | Very low | 40.8 | Very low | 142 Ų | 142 | 138.7 Ų | 138.7 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | -115.2 | 65.6 | 179.5 | -67.5 | -20.3 | 0 | 0 | 0 | 111.8 | ||||
| 190 | L | 36.9 | Very low | 40.7 | Very low | 157 Ų | 157 | 144 Ų | 144 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -127 | 70.1 | 157.4 | -159.2 | 76.9 | 0 | 0 | 0 | 108.4 | L192 | L190-L192 PolarHBondContact O-N 3.06Å; L190-L192 VanDerWaalsContact O-N 3.16Å | ||
| 191 | V | 38.9 | Very low | 41.1 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 74% | 0.739 | 78% | 0.779 | S | S | * | * | trans | -70.6 | 106.6 | 165.2 | 174.4 | 0 | 0 | 0 | 0 | 107 | V193 | V191-V193 PolarHBondContact O-N 3.25Š| ||
| 192 | L | 42.4 | Very low | 41.3 | Very low | 141 Ų | 141 | 144.5 Ų | 144.5 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | trans | -61.7 | 95.9 | 168.1 | -149 | 85.3 | 0 | 0 | 0 | 107.9 | L190 G194 | L190-L192 PolarHBondContact O-N 3.06Å; L190-L192 VanDerWaalsContact O-N 3.16Å; L192-G194 VanDerWaalsContact C-N 3.26Å; L192-G194 PolarHBondContact O-N 2.97Å | ||
| 193 | V | 41.1 | Very low | 41 | Very low | 148 Ų | 148 | 143 Ų | 143 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | -70.6 | 89.8 | 168.3 | 177.9 | 0 | 0 | 0 | 0 | 107.1 | V191 | V191-V193 PolarHBondContact O-N 3.25Š| ||
| 194 | G | 34.8 | Very low | 41.1 | Very low | 57 Ų | 57 | 141.2 Ų | 141.2 | 59% | 0.588 | 80% | 0.795 | S | S | * | * | trans | -171.3 | 40.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L192 | L192-G194 VanDerWaalsContact C-N 3.26Å; L192-G194 PolarHBondContact O-N 2.97Å | ||
| 195 | Q | 37.8 | Very low | 41 | Very low | 183 Ų | 183 | 146.5 Ų | 146.5 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -137.8 | 117 | 170.4 | -64.9 | -165.8 | 3 | 0 | 0 | 110.9 | ||||
| 196 | A | 33.7 | Very low | 40.9 | Very low | 100 Ų | 100 | 143.6 Ų | 143.6 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | 55.5 | 108.4 | 142.9 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 197 | S | 43.1 | Very low | 40.8 | Very low | 122 Ų | 122 | 145.3 Ų | 145.3 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -133.3 | 75.7 | 143.9 | 47.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 198 | R | 51.1 | Low | 41 | Very low | 230 Ų | 230 | 144.3 Ų | 144.3 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | trans | -62.7 | 133 | 158.4 | -89.6 | 179.3 | 166.1 | -179.8 | -3.8 | 107.8 | Q200 | R198-Q200 PolarHBondContact O-N 3.44Å; R198-Q200 VanDerWaalsContact O-N 3.12Å | ||
| 199 | P | 48.2 | Very low | 40.8 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | trans | -72.6 | 106.4 | 163.4 | 28.9 | -27.9 | 0 | 0 | 0 | 107.7 | S201 | P199-S201 VanDerWaalsContact C-N 3.32Å; P199-S201 PolarHBondContact O-N 3.2Å; P199-S201 VanDerWaalsContact O-N 3.08Å | ||
| 200 | Q | 37.9 | Very low | 40.5 | Very low | 192 Ų | 192 | 145 Ų | 145 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | -68.6 | 95 | 159.3 | -74.5 | -167.6 | -0.7 | 0 | 0 | 107.2 | R198 A202 | R198-Q200 PolarHBondContact O-N 3.44Å; R198-Q200 VanDerWaalsContact O-N 3.12Å; Q200-A202 PolarHBondContact O-N 3.02Å | ||
| 201 | S | 47.1 | Very low | 40.9 | Very low | 108 Ų | 108 | 147 Ų | 147 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | -77.6 | 110.8 | 164.3 | 46.3 | 0 | 0 | 0 | 0 | 108.3 | P199 L203 | P199-S201 VanDerWaalsContact C-N 3.32Å; P199-S201 PolarHBondContact O-N 3.2Å; P199-S201 VanDerWaalsContact O-N 3.08Å; S201-L203 PolarHBondContact O-N 3.33Å | ||
| 202 | A | 41 | Very low | 40.6 | Very low | 97 Ų | 97 | 152.9 Ų | 152.9 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -58.8 | 112.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q200 C204 | Q200-A202 PolarHBondContact O-N 3.02Å; A202-C204 PolarHBondContact O-N 2.68Å | ||
| 203 | L | 35.5 | Very low | 40.5 | Very low | 158 Ų | 158 | 150.9 Ų | 150.9 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | trans | -74.1 | 99.9 | 152.8 | -88 | 120.9 | 0 | 0 | 0 | 107.6 | S201 | S201-L203 PolarHBondContact O-N 3.33Š| ||
| 204 | C | 41.4 | Very low | 40.4 | Very low | 101 Ų | 101 | 148.4 Ų | 148.4 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | trans | -117.5 | 94.3 | 159.9 | -157.5 | 0 | 0 | 0 | 0 | 108 | A202 | A202-C204 PolarHBondContact O-N 2.68Š| ||
| 205 | R | 37.3 | Very low | 40.5 | Very low | 228 Ų | 228 | 152.1 Ų | 152.1 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -68.7 | 121.1 | 160.7 | -66.7 | -177.6 | -167.3 | -165.8 | 3.5 | 107 | ||||
| 206 | K | 42.8 | Very low | 40.4 | Very low | 183 Ų | 183 | 152.6 Ų | 152.6 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | trans | -125.9 | 99.1 | 155.1 | -85.4 | -177.8 | 176.4 | 178.5 | 0 | 108.4 | ||||
| 207 | S | 37.1 | Very low | 40.7 | Very low | 115 Ų | 115 | 152 Ų | 152 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -57.4 | 125.7 | 154.5 | 51.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 208 | Q | 47.4 | Very low | 40.7 | Very low | 164 Ų | 164 | 154.8 Ų | 154.8 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | trans | -140.3 | 109.7 | 154.8 | -77.8 | -159.7 | -13.9 | 0 | 0 | 110.2 | ||||
| 209 | H | 40.5 | Very low | 39.9 | Very low | 165 Ų | 165 | 151.5 Ų | 151.5 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | 68.1 | 105.1 | 133 | -69.7 | -67.1 | 0 | 0 | 0 | 120.4 | ||||
| 210 | D | 35.5 | Very low | 39.4 | Very low | 155 Ų | 155 | 151.5 Ų | 151.5 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | -28.6 | 132.5 | 140.3 | -59 | -63.8 | 0 | 0 | 0 | 115.1 | ||||
| 211 | K | 44.2 | Very low | 39.2 | Very low | 200 Ų | 200 | 151.4 Ų | 151.4 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | trans | -139 | 104 | 145.7 | -73.2 | -174.5 | -179.7 | 177.6 | 0 | 106.7 | ||||
| 212 | R | 33.9 | Very low | 39.1 | Very low | 245 Ų | 245 | 154.3 Ų | 154.3 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | 42.3 | 108.1 | 101.4 | -85.9 | -172.8 | 174.2 | -163.1 | -0.9 | 113.4 | |||||
| 213 | S | 38.7 | Very low | 38.7 | Very low | 99 Ų | 99 | 159.7 Ų | 159.7 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | -148.6 | 107.9 | 111.9 | -153.1 | 0 | 0 | 0 | 0 | 109.6 | D215 | S213-D215 PolarHBondContact OG-OD2 3.42Å; S213-D215 VanDerWaalsContact OG-OD2 3.09Å | |||
| 214 | S | 39 | Very low | 39.2 | Very low | 96 Ų | 96 | 158.8 Ų | 158.8 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | trans | -87.5 | 114 | 159.3 | 165.5 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 215 | D | 37.2 | Very low | 39.1 | Very low | 136 Ų | 136 | 161.1 Ų | 161.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -116.1 | 103.7 | 167.5 | -81.5 | -49.4 | 0 | 0 | 0 | 109.3 | S213 | S213-D215 PolarHBondContact OG-OD2 3.42Å; S213-D215 VanDerWaalsContact OG-OD2 3.09Å | ||
| 216 | Y | 35.6 | Very low | 39.5 | Very low | 192 Ų | 192 | 160.8 Ų | 160.8 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | -19.6 | 142.2 | 145.4 | -55.1 | -95.9 | 0 | 0 | 0 | 112.8 | ||||
| 217 | S | 40.5 | Very low | 39.6 | Very low | 89 Ų | 89 | 163.5 Ų | 163.5 | 62% | 0.622 | 78% | 0.784 | S | S | * | * | 172.1 | 136.4 | 78.7 | -91.9 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 218 | K | 44 | Very low | 39.5 | Very low | 180 Ų | 180 | 162.1 Ų | 162.1 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | trans | 74.7 | 89.9 | 132.5 | -61.3 | 171.6 | -169.8 | -178.5 | 0 | 118 | ||||
| 219 | N | 33.2 | Very low | 39.4 | Very low | 161 Ų | 161 | 158.4 Ų | 158.4 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | -7.3 | 120.6 | 119.7 | -62.4 | -21.3 | 0 | 0 | 0 | 113.9 | |||||
| 220 | T | 37.3 | Very low | 39.6 | Very low | 117 Ų | 117 | 159.6 Ų | 159.6 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | trans | -150.8 | 90.5 | 147.4 | -62.1 | 0 | 0 | 0 | 0 | 107.3 | Q222 | T220-Q222 HydrophobicContact CG2-CG 4.35Å; T220-Q222 PolarHBondContact O-N 3.38Å | ||
| 221 | E | 34.6 | Very low | 40.4 | Very low | 191 Ų | 191 | 155.2 Ų | 155.2 | 89% | 0.893 | 76% | 0.759 | S | S | * | * | trans | -63.2 | 105.3 | 162.7 | -70.9 | -179 | 138.7 | 0 | 0 | 108.7 | ||||
| 222 | Q | 44 | Very low | 41 | Very low | 169 Ų | 169 | 148.3 Ų | 148.3 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | trans | -97.6 | 87.1 | 160.4 | -92.1 | -178.4 | -3.3 | 0 | 0 | 109.3 | T220 L224 | T220-Q222 HydrophobicContact CG2-CG 4.35Å; T220-Q222 PolarHBondContact O-N 3.38Å; Q222-L224 PolarHBondContact O-N 3.36Å; Q222-L224 VanDerWaalsContact O-N 3.1Å | ||
| 223 | R | 34.3 | Very low | 42.1 | Very low | 209 Ų | 209 | 142.5 Ų | 142.5 | 79% | 0.789 | 72% | 0.722 | S | S | * | * | trans | -64.2 | 91.9 | 164.6 | -179.5 | 177.4 | 174.7 | 173.2 | -2.4 | 109.4 | ||||
| 224 | L | 45.2 | Very low | 43.5 | Very low | 140 Ų | 140 | 143 Ų | 143 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | trans | -98.8 | 95.6 | 164.2 | -85.8 | 164.1 | 0 | 0 | 0 | 109.2 | Q222 R226 | Q222-L224 PolarHBondContact O-N 3.36Å; Q222-L224 VanDerWaalsContact O-N 3.1Å; L224-R226 PolarHBondContact O-N 3.14Å; L224-R226 VanDerWaalsContact O-N 3.11Å | ||
| 225 | M | 38.6 | Very low | 44.8 | Very low | 149 Ų | 149 | 145.6 Ų | 145.6 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | trans | -56.5 | 105.5 | 163.3 | -78.2 | -75.8 | -161.7 | 0 | 0 | 109.2 | ||||
| 226 | R | 46.9 | Very low | 46.6 | Very low | 222 Ų | 222 | 143.7 Ų | 143.7 | 84% | 0.838 | 70% | 0.703 | S | S | * | * | trans | -135.2 | 102.6 | 162.7 | -80.6 | -168.2 | -177.6 | 178.7 | 2.6 | 110.5 | L224 | L224-R226 PolarHBondContact O-N 3.14Å; L224-R226 VanDerWaalsContact O-N 3.11Å | ||
| 227 | R | 43.6 | Very low | 48.7 | Very low | 239 Ų | 239 | 142.3 Ų | 142.3 | 90% | 0.902 | 70% | 0.697 | S | S | * | * | trans | 26.7 | 104.8 | 152.1 | -101 | 174.3 | 172 | 176.1 | -3 | 115.9 | S229 | R227-S229 PolarHBondContact O-N 3.34Š| ||
| 228 | A | 35.5 | Very low | 50.7 | Low | 86 Ų | 86 | 142.8 Ų | 142.8 | 71% | 0.711 | 69% | 0.689 | S | S | * | * | trans | -57.7 | 96.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 229 | S | 44.3 | Very low | 52.7 | Low | 87 Ų | 87 | 139.7 Ų | 139.7 | 61% | 0.608 | 68% | 0.676 | S | S | * | * | trans | -76.6 | 140.1 | 151.1 | -57.9 | 0 | 0 | 0 | 0 | 106.7 | R227 S231 S232 | R227-S229 PolarHBondContact O-N 3.34Å; S229-S231 PolarHBondContact O-N 2.85Å; S229-S232 WeakPolarHBondContact O-CB 3.48Å; S229-S232 PolarHBondContact O-N 2.84Å | ||
| 230 | H | 45.4 | Very low | 55.3 | Low | 189 Ų | 189 | 138.5 Ų | 138.5 | 88% | 0.875 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 17.1 | -178.1 | -76.4 | -94 | 0 | 0 | 0 | 115.5 | ||
| 231 | S | 52.7 | Low | 57.6 | Low | 64 Ų | 64 | 138.4 Ų | 138.4 | 45% | 0.448 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89 | -6.1 | 160.6 | 162.6 | 0 | 0 | 0 | 0 | 113.1 | S229 | S229-S231 PolarHBondContact O-N 2.85Š|
| 232 | S | 56.2 | Low | 60.1 | Low | 54 Ų | 54 | 137.6 Ų | 137.6 | 38% | 0.378 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -71.9 | -36 | -174.8 | -175.4 | 0 | 0 | 0 | 0 | 114.6 | S229 D234 K235 E236 | S229-S232 WeakPolarHBondContact O-CB 3.48Å; S229-S232 PolarHBondContact O-N 2.84Å; S232-D234 VanDerWaalsContact C-N 3.33Å; S232-D234 PolarHBondContact O-N 3.27Å; S232-K235 PolarHBondContact O-N 3.12Å; S232-E236 WeakPolarHBondContact O-CB 3.39Å; S232-E236 PolarHBondContact O-N 2.93Å |
| 233 | L | 57.7 | Low | 62.2 | Low | 123 Ų | 123 | 133.1 Ų | 133.1 | 64% | 0.644 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.4 | -33 | -178.8 | -74.7 | 171.7 | 0 | 0 | 0 | 112.4 | R237 | L233-R237 VanDerWaalsContact O-CB 3.29Å; L233-R237 WeakPolarHBondContact O-CB 3.46Å; L233-R237 PolarHBondContact O-N 3.01Å |
| 234 | D | 67.6 | Low | 64.8 | Low | 111 Ų | 111 | 128.5 Ų | 128.5 | 59% | 0.594 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70.6 | -39.6 | 174 | -85.9 | -30.5 | 0 | 0 | 0 | 112 | S232 R237 Q238 | S232-D234 VanDerWaalsContact C-N 3.33Å; S232-D234 PolarHBondContact O-N 3.27Å; D234-R237 PolarHBondContact O-N 2.91Å; D234-Q238 VanDerWaalsContact O-CB 3.23Å; D234-Q238 WeakPolarHBondContact O-CB 3.38Å; D234-Q238 WeakPolarHBondContact O-CG 3.3Å; D234-Q238 PolarHBondContact O-N 3.4Å |
| 235 | K | 67.1 | Low | 67 | Low | 149 Ų | 149 | 125.1 Ų | 125.1 | 65% | 0.648 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.2 | -38.2 | 175.9 | -69.3 | -178.3 | -177.1 | 179 | 0 | 112 | S232 Q238 F239 | S232-K235 PolarHBondContact O-N 3.12Å; K235-Q238 PolarHBondContact O-N 3.35Å; K235-F239 WeakPolarHBondContact O-CB 3.49Å; K235-F239 PolarHBondContact O-N 3.44Å |
| 236 | E | 73.3 | Confident | 69.5 | Low | 97 Ų | 97 | 123.5 Ų | 123.5 | 45% | 0.453 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -70.1 | -43 | 175.4 | -178.1 | 168.9 | -163.1 | 0 | 0 | 112.1 | S232 Q238 F239 W240 | S232-E236 WeakPolarHBondContact O-CB 3.39Å; S232-E236 PolarHBondContact O-N 2.93Å; E236-Q238 VanDerWaalsContact C-N 3.3Å; E236-Q238 PolarHBondContact O-N 3.1Å; E236-F239 WeakPolarHBondContact O-CB 3.49Å; E236-F239 PolarHBondContact O-N 3.27Å; E236-F239 VanDerWaalsContact O-N 3.13Å; E236-W240 VanDerWaalsContact O-CD1 3.24Å; E236-W240 PolarHBondContact O-N 3.48Å |
| 237 | R | 80.4 | Confident | 71.6 | Confident | 162 Ų | 162 | 117.1 Ų | 117.1 | 61% | 0.611 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60 | -42 | 172.2 | -176.4 | -174.7 | -74.9 | -99.2 | 5.6 | 111.4 | L233 D234 F239 K241 | L233-R237 VanDerWaalsContact O-CB 3.29Å; L233-R237 WeakPolarHBondContact O-CB 3.46Å; L233-R237 PolarHBondContact O-N 3.01Å; D234-R237 PolarHBondContact O-N 2.91Å; R237-F239 VanDerWaalsContact C-N 3.34Å; R237-K241 WeakPolarHBondContact O-CB 3.47Å; R237-K241 WeakPolarHBondContact O-CG 3.4Å; R237-K241 PolarHBondContact O-N 3.21Å |
| 238 | Q | 83.1 | Confident | 73.9 | Confident | 99 Ų | 99 | 110.5 Ų | 110.5 | 46% | 0.463 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.1 | -40 | 173.9 | -73.3 | -84.6 | -5.8 | 0 | 0 | 111.5 | D234 K235 E236 R242 | D234-Q238 VanDerWaalsContact O-CB 3.23Å; D234-Q238 WeakPolarHBondContact O-CB 3.38Å; D234-Q238 WeakPolarHBondContact O-CG 3.3Å; D234-Q238 PolarHBondContact O-N 3.4Å; K235-Q238 PolarHBondContact O-N 3.35Å; E236-Q238 VanDerWaalsContact C-N 3.3Å; E236-Q238 PolarHBondContact O-N 3.1Å; Q238-R242 VanDerWaalsContact O-CG 3.28Å; Q238-R242 WeakPolarHBondContact O-CG 3.37Å; Q238-R242 PolarHBondContact O-N 3.46Å |
| 239 | F | 85.9 | Confident | 76.6 | Confident | 116 Ų | 116 | 110.3 Ų | 110.3 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.4 | -50.8 | 175.3 | 172.1 | -95.4 | 0 | 0 | 0 | 111.9 | K235 E236 R237 K241 R242 K243 | K235-F239 WeakPolarHBondContact O-CB 3.49Å; K235-F239 PolarHBondContact O-N 3.44Å; E236-F239 WeakPolarHBondContact O-CB 3.49Å; E236-F239 PolarHBondContact O-N 3.27Å; E236-F239 VanDerWaalsContact O-N 3.13Å; R237-F239 VanDerWaalsContact C-N 3.34Å; F239-K241 VanDerWaalsContact C-N 3.32Å; F239-K241 PolarHBondContact O-N 2.9Å; F239-R242 PolarHBondContact O-N 2.86Å; F239-R242 VanDerWaalsContact O-N 3.16Å; F239-K243 HydrophobicContact CE1-CD 4.3Å; F239-K243 HydrophobicContact CZ-CD 4.43Å; F239-K243 WeakPolarHBondContact O-CB 3.43Å; F239-K243 PolarHBondContact O-N 3.08Å |
| 240 | W | 86.5 | Confident | 78.9 | Confident | 136 Ų | 136 | 110.2 Ų | 110.2 | 52% | 0.515 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 177.5 | -76.1 | 112.8 | 0 | 0 | 0 | 112.1 | E236 K243 Q244 | E236-W240 VanDerWaalsContact O-CD1 3.24Å; E236-W240 PolarHBondContact O-N 3.48Å; W240-K243 HydrophobicContact CE3-CD 4.12Å; W240-K243 HydrophobicContact CZ3-CD 3.91Å; W240-K243 PolarHBondContact O-N 3Å; W240-Q244 VanDerWaalsContact O-CB 3.25Å; W240-Q244 WeakPolarHBondContact O-CB 3.44Å; W240-Q244 PolarHBondContact O-N 3.32Å |
| 241 | K | 85.9 | Confident | 81.1 | Confident | 114 Ų | 114 | 104.4 Ų | 104.4 | 50% | 0.496 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.7 | -49.5 | 170.6 | -80.9 | -176.4 | 177.6 | -173.3 | 0 | 111.6 | R237 F239 K243 Q244 T245 | R237-K241 WeakPolarHBondContact O-CB 3.47Å; R237-K241 WeakPolarHBondContact O-CG 3.4Å; R237-K241 PolarHBondContact O-N 3.21Å; F239-K241 VanDerWaalsContact C-N 3.32Å; F239-K241 PolarHBondContact O-N 2.9Å; K241-K243 PolarHBondContact O-N 2.88Å; K241-Q244 PolarHBondContact O-N 3.35Å; K241-T245 WeakPolarHBondContact O-CB 3.47Å; K241-T245 PolarHBondContact O-N 3.3Å; K241-T245 PolarHBondContact O-OG1 3.31Å |
| 242 | R | 87 | Confident | 83.1 | Confident | 174 Ų | 174 | 105 Ų | 105 | 66% | 0.657 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.6 | -43.3 | 177.9 | -71.7 | 175.8 | -151.6 | -169.7 | 4.1 | 112.3 | Q238 F239 T245 Q246 | Q238-R242 VanDerWaalsContact O-CG 3.28Å; Q238-R242 WeakPolarHBondContact O-CG 3.37Å; Q238-R242 PolarHBondContact O-N 3.46Å; F239-R242 PolarHBondContact O-N 2.86Å; F239-R242 VanDerWaalsContact O-N 3.16Å; R242-T245 PolarHBondContact O-N 2.85Å; R242-Q246 VanDerWaalsContact O-CB 3.3Å; R242-Q246 WeakPolarHBondContact O-CB 3.42Å; R242-Q246 PolarHBondContact O-N 3.37Å |
| 243 | K | 88.9 | Confident | 84.9 | Confident | 76 Ų | 76 | 107.5 Ų | 107.5 | 33% | 0.33 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 178 | -175.5 | 175.5 | 175.8 | -177.5 | 0 | 111.1 | F239 W240 K241 Q246 E247 | F239-K243 HydrophobicContact CE1-CD 4.3Å; F239-K243 HydrophobicContact CZ-CD 4.43Å; F239-K243 WeakPolarHBondContact O-CB 3.43Å; F239-K243 PolarHBondContact O-N 3.08Å; W240-K243 HydrophobicContact CE3-CD 4.12Å; W240-K243 HydrophobicContact CZ3-CD 3.91Å; W240-K243 PolarHBondContact O-N 3Å; K241-K243 PolarHBondContact O-N 2.88Å; K243-Q246 PolarHBondContact O-N 3.07Å; K243-E247 WeakPolarHBondContact CE-OE1 3.31Å; K243-E247 WeakPolarHBondContact O-CB 3.4Å; K243-E247 WeakPolarHBondContact O-CG 3.45Å; K243-E247 PolarHBondContact O-N 2.9Å |
| 244 | Q | 89.3 | Confident | 86.6 | Confident | 111 Ų | 111 | 108.3 Ų | 108.3 | 52% | 0.519 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 174.4 | -174.4 | 178.2 | 30.8 | 0 | 0 | 111.4 | W240 K241 Q246 E247 Q248 | W240-Q244 VanDerWaalsContact O-CB 3.25Å; W240-Q244 WeakPolarHBondContact O-CB 3.44Å; W240-Q244 PolarHBondContact O-N 3.32Å; K241-Q244 PolarHBondContact O-N 3.35Å; Q244-Q246 VanDerWaalsContact C-N 3.3Å; Q244-Q246 PolarHBondContact O-N 3.5Å; Q244-E247 PolarHBondContact O-N 3.45Å; Q244-Q248 WeakPolarHBondContact O-CB 3.39Å; Q244-Q248 VanDerWaalsContact O-CG 3.25Å; Q244-Q248 WeakPolarHBondContact O-CG 3.39Å; Q244-Q248 PolarHBondContact O-N 3.29Å |
| 245 | T | 90.6 | Very high | 87.8 | Confident | 69 Ų | 69 | 107.6 Ų | 107.6 | 42% | 0.423 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.7 | -39.3 | 174.4 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | K241 R242 Q248 I249 | K241-T245 WeakPolarHBondContact O-CB 3.47Å; K241-T245 PolarHBondContact O-N 3.3Å; K241-T245 PolarHBondContact O-OG1 3.31Å; R242-T245 PolarHBondContact O-N 2.85Å; T245-Q248 PolarHBondContact O-N 2.97Å; T245-I249 HydrophobicContact CG2-CD1 4.05Å; T245-I249 WeakPolarHBondContact O-CD1 3.4Å; T245-I249 VanDerWaalsContact O-CG1 3.24Å; T245-I249 WeakPolarHBondContact O-CG1 3.33Å; T245-I249 PolarHBondContact O-N 2.94Å |
| 246 | Q | 90.6 | Very high | 89.1 | Confident | 115 Ų | 115 | 107.1 Ų | 107.1 | 54% | 0.537 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68 | -43.4 | 177.6 | -173.3 | 175.2 | 19.2 | 0 | 0 | 112 | R242 K243 Q244 Q248 I249 Q250 | R242-Q246 VanDerWaalsContact O-CB 3.3Å; R242-Q246 WeakPolarHBondContact O-CB 3.42Å; R242-Q246 PolarHBondContact O-N 3.37Å; K243-Q246 PolarHBondContact O-N 3.07Å; Q244-Q246 VanDerWaalsContact C-N 3.3Å; Q244-Q246 PolarHBondContact O-N 3.5Å; Q246-Q248 VanDerWaalsContact C-N 3.33Å; Q246-I249 PolarHBondContact O-N 3.3Å; Q246-Q250 WeakPolarHBondContact O-CG 3.33Å; Q246-Q250 PolarHBondContact O-N 3.37Å |
| 247 | E | 91.1 | Very high | 90.1 | Very high | 89 Ų | 89 | 104.6 Ų | 104.6 | 42% | 0.416 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 174.5 | -76.1 | 174.7 | -175.2 | 0 | 0 | 111.4 | K243 Q244 Q250 N251 | K243-E247 WeakPolarHBondContact CE-OE1 3.31Å; K243-E247 WeakPolarHBondContact O-CB 3.4Å; K243-E247 WeakPolarHBondContact O-CG 3.45Å; K243-E247 PolarHBondContact O-N 2.9Å; Q244-E247 PolarHBondContact O-N 3.45Å; E247-Q250 PolarHBondContact O-N 3.08Å; E247-N251 VanDerWaalsContact O-CB 3.31Å; E247-N251 WeakPolarHBondContact O-CB 3.32Å; E247-N251 PolarHBondContact O-N 2.88Å; E247-N251 PolarHBondContact O-ND2 2.97Å |
| 248 | Q | 92.3 | Very high | 90.9 | Very high | 99 Ų | 99 | 102.3 Ų | 102.3 | 46% | 0.463 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.2 | -48.6 | 172 | -77.6 | 173.8 | -12.7 | 0 | 0 | 111.3 | Q244 T245 Q246 Q250 N251 D252 | Q244-Q248 WeakPolarHBondContact O-CB 3.39Å; Q244-Q248 VanDerWaalsContact O-CG 3.25Å; Q244-Q248 WeakPolarHBondContact O-CG 3.39Å; Q244-Q248 PolarHBondContact O-N 3.29Å; T245-Q248 PolarHBondContact O-N 2.97Å; Q246-Q248 VanDerWaalsContact C-N 3.33Å; Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 3.06Å; Q248-N251 PolarHBondContact O-N 2.92Å; Q248-D252 WeakPolarHBondContact O-CB 3.45Å; Q248-D252 PolarHBondContact O-N 2.97Å |
| 249 | I | 92.9 | Very high | 91.4 | Very high | 82 Ų | 82 | 102.9 Ų | 102.9 | 42% | 0.421 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.4 | -44.7 | 176.3 | -69.8 | 162.6 | 0 | 0 | 0 | 110.9 | T245 Q246 D252 E253 | T245-I249 HydrophobicContact CG2-CD1 4.05Å; T245-I249 WeakPolarHBondContact O-CD1 3.4Å; T245-I249 VanDerWaalsContact O-CG1 3.24Å; T245-I249 WeakPolarHBondContact O-CG1 3.33Å; T245-I249 PolarHBondContact O-N 2.94Å; Q246-I249 PolarHBondContact O-N 3.3Å; I249-D252 PolarHBondContact O-N 3.49Å; I249-E253 HydrophobicContact CG2-CG 4.47Å; I249-E253 WeakPolarHBondContact O-CB 3.42Å; I249-E253 VanDerWaalsContact O-CG 3.25Å; I249-E253 WeakPolarHBondContact O-CG 3.49Å; I249-E253 PolarHBondContact O-N 3.4Å |
| 250 | Q | 91.5 | Very high | 91.9 | Very high | 86 Ų | 86 | 100 Ų | 100 | 40% | 0.402 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.5 | -36.3 | 178 | -72.9 | 179.5 | 5.8 | 0 | 0 | 113.3 | Q246 E247 Q248 R254 | Q246-Q250 WeakPolarHBondContact O-CG 3.33Å; Q246-Q250 PolarHBondContact O-N 3.37Å; E247-Q250 PolarHBondContact O-N 3.08Å; Q248-Q250 VanDerWaalsContact C-N 3.32Å; Q248-Q250 PolarHBondContact O-N 3.06Å; Q250-R254 WeakPolarHBondContact O-CB 3.45Å; Q250-R254 WeakPolarHBondContact O-CG 3.41Å; Q250-R254 PolarHBondContact O-N 3.45Å; Q250-R254 PolarHBondContact O-NE 2.99Å |
| 251 | N | 93 | Very high | 92.2 | Very high | 67 Ų | 67 | 101.1 Ų | 101.1 | 36% | 0.358 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.8 | -46.6 | 173.7 | -77.1 | -18.9 | 0 | 0 | 0 | 110.1 | E247 Q248 E253 R254 E255 | E247-N251 VanDerWaalsContact O-CB 3.31Å; E247-N251 WeakPolarHBondContact O-CB 3.32Å; E247-N251 PolarHBondContact O-N 2.88Å; E247-N251 PolarHBondContact O-ND2 2.97Å; Q248-N251 PolarHBondContact O-N 2.92Å; N251-E253 VanDerWaalsContact C-N 3.31Å; N251-E253 PolarHBondContact O-N 2.99Å; N251-R254 CarbonylContact O-C 3.6Å; N251-R254 WeakPolarHBondContact O-CB 3.46Å; N251-R254 PolarHBondContact O-N 3.42Å; N251-R254 VanDerWaalsContact O-N 3.11Å; N251-R254 PolarHBondContact OD1-NH1 3.37Å; N251-R254 PolarHBondContact OD1-NH2 2.98Å; N251-E255 PolarHBondContact O-N 3.16Å |
| 252 | D | 94.8 | Very high | 92.7 | Very high | 75 Ų | 75 | 101.1 Ų | 101.1 | 40% | 0.401 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.8 | -39.5 | 177.2 | -68.6 | -11.5 | 0 | 0 | 0 | 111.6 | Q248 I249 R256 | Q248-D252 WeakPolarHBondContact O-CB 3.45Å; Q248-D252 PolarHBondContact O-N 2.97Å; I249-D252 PolarHBondContact O-N 3.49Å; D252-R256 VanDerWaalsContact O-CB 3.3Å; D252-R256 WeakPolarHBondContact O-CB 3.45Å; D252-R256 VanDerWaalsContact O-CG 3.23Å; D252-R256 WeakPolarHBondContact O-CG 3.48Å; D252-R256 PolarHBondContact O-N 3.45Å; D252-R256 PolarHBondContact O-NE 3.25Å |
| 253 | E | 93.2 | Very high | 93.1 | Very high | 108 Ų | 108 | 98 Ų | 98 | 51% | 0.505 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 172.9 | -76.6 | 175.4 | 177.8 | 0 | 0 | 111.9 | I249 N251 R256 A257 | I249-E253 HydrophobicContact CG2-CG 4.47Å; I249-E253 WeakPolarHBondContact O-CB 3.42Å; I249-E253 VanDerWaalsContact O-CG 3.25Å; I249-E253 WeakPolarHBondContact O-CG 3.49Å; I249-E253 PolarHBondContact O-N 3.4Å; N251-E253 VanDerWaalsContact C-N 3.31Å; N251-E253 PolarHBondContact O-N 2.99Å; E253-R256 PolarHBondContact O-N 3.04Å; E253-A257 WeakPolarHBondContact O-CB 3.3Å; E253-A257 PolarHBondContact O-N 3.12Å |
| 254 | R | 93.2 | Very high | 93.4 | Very high | 139 Ų | 139 | 99.8 Ų | 99.8 | 53% | 0.525 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 175.9 | -80.5 | -175.7 | -84 | 151.2 | -12.2 | 112.1 | Q250 N251 A257 Q258 | Q250-R254 WeakPolarHBondContact O-CB 3.45Å; Q250-R254 WeakPolarHBondContact O-CG 3.41Å; Q250-R254 PolarHBondContact O-N 3.45Å; Q250-R254 PolarHBondContact O-NE 2.99Å; N251-R254 CarbonylContact O-C 3.6Å; N251-R254 WeakPolarHBondContact O-CB 3.46Å; N251-R254 PolarHBondContact O-N 3.42Å; N251-R254 VanDerWaalsContact O-N 3.11Å; N251-R254 PolarHBondContact OD1-NH1 3.37Å; N251-R254 PolarHBondContact OD1-NH2 2.98Å; R254-A257 PolarHBondContact O-N 3.38Å; R254-Q258 WeakPolarHBondContact O-CB 3.45Å; R254-Q258 WeakPolarHBondContact O-CG 3.44Å; R254-Q258 PolarHBondContact O-N 3.01Å |
| 255 | E | 93.7 | Very high | 93.7 | Very high | 96 Ų | 96 | 100.1 Ų | 100.1 | 45% | 0.449 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 175.9 | -75.5 | -168 | -171.7 | 0 | 0 | 111.7 | N251 A257 Q258 K259 | N251-E255 PolarHBondContact O-N 3.16Å; E255-A257 VanDerWaalsContact C-N 3.32Å; E255-A257 PolarHBondContact O-N 3.47Å; E255-Q258 PolarHBondContact O-N 3.18Å; E255-K259 WeakPolarHBondContact O-CB 3.46Å; E255-K259 VanDerWaalsContact O-CG 3.31Å; E255-K259 WeakPolarHBondContact O-CG 3.3Å; E255-K259 PolarHBondContact O-N 3.13Å; E255-K259 IonicContact OE2-NZ 3.14Å |
| 256 | R | 94.7 | Very high | 94 | Very high | 140 Ų | 140 | 100.7 Ų | 100.7 | 53% | 0.528 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 174.1 | -78.5 | -173.9 | -69.7 | -98.6 | 1.4 | 111.5 | D252 E253 C260 | D252-R256 VanDerWaalsContact O-CB 3.3Å; D252-R256 WeakPolarHBondContact O-CB 3.45Å; D252-R256 VanDerWaalsContact O-CG 3.23Å; D252-R256 WeakPolarHBondContact O-CG 3.48Å; D252-R256 PolarHBondContact O-N 3.45Å; D252-R256 PolarHBondContact O-NE 3.25Å; E253-R256 PolarHBondContact O-N 3.04Å; R256-C260 WeakPolarHBondContact O-CB 2.8Å; R256-C260 PolarHBondContact O-N 2.93Å |
| 257 | A | 94.3 | Very high | 94.3 | Very high | 43 Ų | 43 | 101.1 Ų | 101.1 | 36% | 0.355 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63 | -48.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E253 R254 E255 C260 Y261 | E253-A257 WeakPolarHBondContact O-CB 3.3Å; E253-A257 PolarHBondContact O-N 3.12Å; R254-A257 PolarHBondContact O-N 3.38Å; E255-A257 VanDerWaalsContact C-N 3.32Å; E255-A257 PolarHBondContact O-N 3.47Å; A257-C260 WeakPolarHBondContact O-CB 3.49Å; A257-C260 PolarHBondContact O-N 2.91Å; A257-Y261 HydrophobicContact CB-CE2 4.35Å; A257-Y261 WeakPolarHBondContact O-CD2 3.38Å; A257-Y261 PolarHBondContact O-N 2.61Å |
| 258 | Q | 95.4 | Very high | 94.5 | Very high | 114 Ų | 114 | 101 Ų | 101 | 53% | 0.533 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.7 | -49.7 | 177.3 | -75.9 | 176.9 | -9.3 | 0 | 0 | 111.9 | R254 E255 C260 Y261 E262 | R254-Q258 WeakPolarHBondContact O-CB 3.45Å; R254-Q258 WeakPolarHBondContact O-CG 3.44Å; R254-Q258 PolarHBondContact O-N 3.01Å; E255-Q258 PolarHBondContact O-N 3.18Å; Q258-C260 VanDerWaalsContact C-N 3.31Å; Q258-C260 PolarHBondContact O-N 3.41Å; Q258-Y261 WeakPolarHBondContact O-CB 3.45Å; Q258-Y261 PolarHBondContact O-N 3Å; Q258-E262 WeakPolarHBondContact O-CG 3.28Å; Q258-E262 PolarHBondContact O-N 2.69Å |
| 259 | K | 95 | Very high | 94.7 | Very high | 112 Ų | 112 | 101.1 Ų | 101.1 | 49% | 0.487 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.3 | -43.4 | 175.9 | -72.8 | 171.9 | -176.1 | 165.6 | 0 | 111.7 | E255 Y261 E262 E263 | E255-K259 WeakPolarHBondContact O-CB 3.46Å; E255-K259 VanDerWaalsContact O-CG 3.31Å; E255-K259 WeakPolarHBondContact O-CG 3.3Å; E255-K259 PolarHBondContact O-N 3.13Å; E255-K259 IonicContact OE2-NZ 3.14Å; K259-Y261 PolarHBondContact O-N 3.22Å; K259-E262 PolarHBondContact O-N 3.11Å; K259-E263 WeakPolarHBondContact O-CB 3.39Å; K259-E263 WeakPolarHBondContact O-CG 3.11Å; K259-E263 PolarHBondContact O-N 3.44Å |
| 260 | C | 94.9 | Very high | 94.8 | Very high | 55 Ų | 55 | 104.5 Ų | 104.5 | 37% | 0.372 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 175.5 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | R256 A257 Q258 K264 | R256-C260 WeakPolarHBondContact O-CB 2.8Å; R256-C260 PolarHBondContact O-N 2.93Å; A257-C260 WeakPolarHBondContact O-CB 3.49Å; A257-C260 PolarHBondContact O-N 2.91Å; Q258-C260 VanDerWaalsContact C-N 3.31Å; Q258-C260 PolarHBondContact O-N 3.41Å; C260-K264 VanDerWaalsContact O-CG 3.29Å; C260-K264 WeakPolarHBondContact O-CG 3.37Å; C260-K264 PolarHBondContact O-N 3.41Å; C260-K264 VanDerWaalsContact O-N 3.14Å |
| 261 | Y | 94 | Very high | 95 | Very high | 160 Ų | 160 | 106 Ų | 106 | 63% | 0.627 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.9 | -43.7 | 175 | -75.8 | -67.5 | 0 | 0 | 0 | 112.4 | A257 Q258 K259 K264 L265 | A257-Y261 HydrophobicContact CB-CE2 4.35Å; A257-Y261 WeakPolarHBondContact O-CD2 3.38Å; A257-Y261 PolarHBondContact O-N 2.61Å; Q258-Y261 WeakPolarHBondContact O-CB 3.45Å; Q258-Y261 PolarHBondContact O-N 3Å; K259-Y261 PolarHBondContact O-N 3.22Å; Y261-K264 WeakPolarHBondContact O-CB 3.07Å; Y261-K264 PolarHBondContact O-N 2.89Å; Y261-L265 PolarHBondContact O-N 2.89Å |
| 262 | E | 95.4 | Very high | 95.2 | Very high | 113 Ų | 113 | 110.9 Ų | 110.9 | 53% | 0.528 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 176.9 | -73.3 | 175.5 | -177 | 0 | 0 | 111.8 | Q258 K259 K264 L265 N266 | Q258-E262 WeakPolarHBondContact O-CG 3.28Å; Q258-E262 PolarHBondContact O-N 2.69Å; K259-E262 PolarHBondContact O-N 3.11Å; E262-K264 VanDerWaalsContact C-N 3.33Å; E262-K264 PolarHBondContact O-N 3.3Å; E262-L265 PolarHBondContact O-N 2.69Å; E262-N266 WeakPolarHBondContact O-CB 3.35Å; E262-N266 VanDerWaalsContact O-CG 3.31Å; E262-N266 PolarHBondContact O-N 2.92Å; E262-N266 PolarHBondContact O-ND2 2.84Å |
| 263 | E | 95.5 | Very high | 95.3 | Very high | 110 Ų | 110 | 110.7 Ų | 110.7 | 51% | 0.514 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 174 | -77.2 | -179.6 | -164.1 | 0 | 0 | 112.3 | K259 K267 | K259-E263 WeakPolarHBondContact O-CB 3.39Å; K259-E263 WeakPolarHBondContact O-CG 3.11Å; K259-E263 PolarHBondContact O-N 3.44Å; E263-K267 WeakPolarHBondContact O-CB 3.46Å; E263-K267 WeakPolarHBondContact O-CG 3.46Å; E263-K267 PolarHBondContact O-N 3.23Å |
| 264 | K | 96.1 | Very high | 95.4 | Very high | 113 Ų | 113 | 112 Ų | 112 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 174.6 | -74.4 | 171.5 | -176.1 | 175 | 0 | 111 | C260 Y261 E262 K267 V268 | C260-K264 VanDerWaalsContact O-CG 3.29Å; C260-K264 WeakPolarHBondContact O-CG 3.37Å; C260-K264 PolarHBondContact O-N 3.41Å; C260-K264 VanDerWaalsContact O-N 3.14Å; Y261-K264 WeakPolarHBondContact O-CB 3.07Å; Y261-K264 PolarHBondContact O-N 2.89Å; E262-K264 VanDerWaalsContact C-N 3.33Å; E262-K264 PolarHBondContact O-N 3.3Å; K264-K267 PolarHBondContact O-N 2.94Å; K264-V268 WeakPolarHBondContact O-CG2 3.49Å; K264-V268 PolarHBondContact O-N 3.46Å |
| 265 | L | 95.5 | Very high | 95.6 | Very high | 117 Ų | 117 | 109.4 Ų | 109.4 | 61% | 0.613 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.4 | -47.7 | 177.3 | -174.9 | 66 | 0 | 0 | 0 | 111.2 | Y261 E262 K267 V268 E269 | Y261-L265 PolarHBondContact O-N 2.89Å; E262-L265 PolarHBondContact O-N 2.69Å; L265-K267 VanDerWaalsContact C-N 3.32Å; L265-K267 PolarHBondContact O-N 3.48Å; L265-V268 PolarHBondContact O-N 3.35Å; L265-E269 WeakPolarHBondContact O-CB 3.5Å; L265-E269 PolarHBondContact O-N 3.06Å |
| 266 | N | 96.1 | Very high | 95.7 | Very high | 81 Ų | 81 | 108.9 Ų | 108.9 | 43% | 0.433 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 176.6 | -78 | -32.5 | 0 | 0 | 0 | 112.2 | E262 E269 K270 | E262-N266 WeakPolarHBondContact O-CB 3.35Å; E262-N266 VanDerWaalsContact O-CG 3.31Å; E262-N266 PolarHBondContact O-N 2.92Å; E262-N266 PolarHBondContact O-ND2 2.84Å; N266-E269 PolarHBondContact O-N 3.27Å; N266-K270 WeakPolarHBondContact O-CB 3.49Å; N266-K270 VanDerWaalsContact O-CG 3.25Å; N266-K270 WeakPolarHBondContact O-CG 3.36Å; N266-K270 PolarHBondContact O-N 3.17Å |
| 267 | K | 96.5 | Very high | 95.8 | Very high | 124 Ų | 124 | 108.4 Ų | 108.4 | 54% | 0.539 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 174.4 | -76.3 | 167 | -176.4 | 168.4 | 0 | 111.2 | E263 K264 L265 K270 Q271 | E263-K267 WeakPolarHBondContact O-CB 3.46Å; E263-K267 WeakPolarHBondContact O-CG 3.46Å; E263-K267 PolarHBondContact O-N 3.23Å; K264-K267 PolarHBondContact O-N 2.94Å; L265-K267 VanDerWaalsContact C-N 3.32Å; L265-K267 PolarHBondContact O-N 3.48Å; K267-K270 PolarHBondContact O-N 3.4Å; K267-Q271 WeakPolarHBondContact O-CB 3.35Å; K267-Q271 VanDerWaalsContact O-CG 3.31Å; K267-Q271 WeakPolarHBondContact O-CG 3.31Å; K267-Q271 PolarHBondContact O-N 2.86Å |
| 268 | V | 96.6 | Very high | 95.9 | Very high | 88 Ų | 88 | 111.4 Ų | 111.4 | 53% | 0.533 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 177.3 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | K264 L265 Q271 R272 | K264-V268 WeakPolarHBondContact O-CG2 3.49Å; K264-V268 PolarHBondContact O-N 3.46Å; L265-V268 PolarHBondContact O-N 3.35Å; V268-Q271 PolarHBondContact O-N 2.8Å; V268-R272 WeakPolarHBondContact O-CB 3.5Å; V268-R272 PolarHBondContact O-N 3.32Å |
| 269 | E | 95.6 | Very high | 95.9 | Very high | 100 Ų | 100 | 112.3 Ų | 112.3 | 47% | 0.467 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 177.7 | -172.4 | 175.4 | -167.3 | 0 | 0 | 112 | L265 N266 Q271 R272 N273 | L265-E269 WeakPolarHBondContact O-CB 3.5Å; L265-E269 PolarHBondContact O-N 3.06Å; N266-E269 PolarHBondContact O-N 3.27Å; E269-Q271 PolarHBondContact O-N 2.9Å; E269-R272 PolarHBondContact O-N 3.48Å; E269-N273 WeakPolarHBondContact O-CB 3.45Å; E269-N273 PolarHBondContact O-N 3.37Å; E269-N273 PolarHBondContact O-ND2 2.93Å |
| 270 | K | 96 | Very high | 96 | Very high | 154 Ų | 154 | 112.1 Ų | 112.1 | 67% | 0.67 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.7 | -46 | 172.8 | -75.7 | 174.4 | -177.5 | -179.5 | 0 | 111.6 | N266 K267 N273 Q274 | N266-K270 WeakPolarHBondContact O-CB 3.49Å; N266-K270 VanDerWaalsContact O-CG 3.25Å; N266-K270 WeakPolarHBondContact O-CG 3.36Å; N266-K270 PolarHBondContact O-N 3.17Å; K267-K270 PolarHBondContact O-N 3.4Å; K270-N273 PolarHBondContact O-N 3.18Å; K270-Q274 WeakPolarHBondContact O-CB 3.3Å; K270-Q274 PolarHBondContact O-N 2.96Å |
| 271 | Q | 96.3 | Very high | 96 | Very high | 118 Ų | 118 | 118 Ų | 118 | 55% | 0.551 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61 | -45.6 | 175.9 | -74.8 | 175.9 | -12 | 0 | 0 | 111.7 | K267 V268 E269 N273 Q274 I275 | K267-Q271 WeakPolarHBondContact O-CB 3.35Å; K267-Q271 VanDerWaalsContact O-CG 3.31Å; K267-Q271 WeakPolarHBondContact O-CG 3.31Å; K267-Q271 PolarHBondContact O-N 2.86Å; V268-Q271 PolarHBondContact O-N 2.8Å; E269-Q271 PolarHBondContact O-N 2.9Å; Q271-N273 PolarHBondContact O-N 2.86Å; Q271-Q274 PolarHBondContact O-N 3.32Å; Q271-I275 VanDerWaalsContact O-CG1 3.31Å; Q271-I275 WeakPolarHBondContact O-CG1 3.39Å; Q271-I275 PolarHBondContact O-N 2.93Å |
| 272 | R | 95.7 | Very high | 96.1 | Very high | 169 Ų | 169 | 115 Ų | 115 | 64% | 0.638 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.2 | -47.3 | 175.6 | 176.9 | -175.6 | 169.6 | 179.5 | -3 | 111.5 | V268 E269 Q274 I275 L276 | V268-R272 WeakPolarHBondContact O-CB 3.5Å; V268-R272 PolarHBondContact O-N 3.32Å; E269-R272 PolarHBondContact O-N 3.48Å; R272-Q274 VanDerWaalsContact C-N 3.32Å; R272-Q274 PolarHBondContact O-N 3.36Å; R272-I275 PolarHBondContact O-N 2.84Å; R272-L276 HydrophobicContact CG-CD1 4.31Å; R272-L276 WeakPolarHBondContact O-CG 3.37Å; R272-L276 PolarHBondContact O-N 3.44Å |
| 273 | N | 96.8 | Very high | 96.1 | Very high | 71 Ų | 71 | 115.3 Ų | 115.3 | 38% | 0.38 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.4 | -36.2 | 179.7 | -74.1 | -23.9 | 0 | 0 | 0 | 111.9 | E269 K270 Q271 L276 K277 | E269-N273 WeakPolarHBondContact O-CB 3.45Å; E269-N273 PolarHBondContact O-N 3.37Å; E269-N273 PolarHBondContact O-ND2 2.93Å; K270-N273 PolarHBondContact O-N 3.18Å; Q271-N273 PolarHBondContact O-N 2.86Å; N273-L276 PolarHBondContact O-N 3.49Å; N273-K277 WeakPolarHBondContact O-CG 3.43Å; N273-K277 PolarHBondContact O-N 2.92Å |
| 274 | Q | 96.7 | Very high | 96.2 | Very high | 134 Ų | 134 | 113.9 Ų | 113.9 | 63% | 0.626 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.4 | -45.8 | 173.6 | -172.5 | 172.5 | 3.9 | 0 | 0 | 111.7 | K270 Q271 R272 L276 K277 E278 | K270-Q274 WeakPolarHBondContact O-CB 3.3Å; K270-Q274 PolarHBondContact O-N 2.96Å; Q271-Q274 PolarHBondContact O-N 3.32Å; R272-Q274 VanDerWaalsContact C-N 3.32Å; R272-Q274 PolarHBondContact O-N 3.36Å; Q274-L276 VanDerWaalsContact C-N 3.31Å; Q274-L276 PolarHBondContact O-N 3.42Å; Q274-K277 PolarHBondContact O-N 3.26Å; Q274-E278 WeakPolarHBondContact O-CB 3.48Å; Q274-E278 PolarHBondContact O-N 3.01Å |
| 275 | I | 96.6 | Very high | 96.2 | Very high | 85 Ų | 85 | 111 Ų | 111 | 44% | 0.436 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.6 | -41 | 176 | -68.2 | 165 | 0 | 0 | 0 | 111 | Q271 R272 E278 K279 | Q271-I275 VanDerWaalsContact O-CG1 3.31Å; Q271-I275 WeakPolarHBondContact O-CG1 3.39Å; Q271-I275 PolarHBondContact O-N 2.93Å; R272-I275 PolarHBondContact O-N 2.84Å; I275-E278 PolarHBondContact O-N 2.93Å; I275-K279 HydrophobicContact CG2-CD 4.06Å; I275-K279 HydrophobicContact CG2-CG 4.43Å; I275-K279 WeakPolarHBondContact O-CB 3.36Å; I275-K279 VanDerWaalsContact O-CG 3.27Å; I275-K279 WeakPolarHBondContact O-CG 3.48Å; I275-K279 PolarHBondContact O-N 3.23Å |
| 276 | L | 96.2 | Very high | 96.2 | Very high | 86 Ų | 86 | 107.2 Ų | 107.2 | 45% | 0.45 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 177.2 | -73.6 | 173.7 | 0 | 0 | 0 | 111.9 | R272 N273 Q274 E278 K279 E280 | R272-L276 HydrophobicContact CG-CD1 4.31Å; R272-L276 WeakPolarHBondContact O-CG 3.37Å; R272-L276 PolarHBondContact O-N 3.44Å; N273-L276 PolarHBondContact O-N 3.49Å; Q274-L276 VanDerWaalsContact C-N 3.31Å; Q274-L276 PolarHBondContact O-N 3.42Å; L276-E278 VanDerWaalsContact C-N 3.32Å; L276-E278 PolarHBondContact O-N 2.92Å; L276-K279 PolarHBondContact O-N 2.96Å; L276-E280 WeakPolarHBondContact O-CB 3.29Å; L276-E280 PolarHBondContact O-N 3.12Å |
| 277 | K | 96.7 | Very high | 96.3 | Very high | 129 Ų | 129 | 108.7 Ų | 108.7 | 56% | 0.561 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.4 | -40.1 | 175.6 | -73.6 | 178.3 | 179.9 | -177 | 0 | 112.2 | N273 Q274 E280 R281 | N273-K277 WeakPolarHBondContact O-CG 3.43Å; N273-K277 PolarHBondContact O-N 2.92Å; Q274-K277 PolarHBondContact O-N 3.26Å; K277-E280 PolarHBondContact O-N 3.1Å; K277-R281 VanDerWaalsContact O-CG 3.3Å; K277-R281 WeakPolarHBondContact O-CG 3.36Å; K277-R281 PolarHBondContact O-N 2.72Å |
| 278 | E | 95.5 | Very high | 96.3 | Very high | 107 Ų | 107 | 109.9 Ų | 109.9 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 176.3 | -171.6 | 177.3 | 178.1 | 0 | 0 | 111.8 | Q274 I275 L276 E280 R281 N282 | Q274-E278 WeakPolarHBondContact O-CB 3.48Å; Q274-E278 PolarHBondContact O-N 3.01Å; I275-E278 PolarHBondContact O-N 2.93Å; L276-E278 VanDerWaalsContact C-N 3.32Å; L276-E278 PolarHBondContact O-N 2.92Å; E278-E280 VanDerWaalsContact C-N 3.31Å; E278-E280 PolarHBondContact O-N 3.16Å; E278-R281 PolarHBondContact O-N 3.45Å; E278-N282 WeakPolarHBondContact O-CB 3.36Å; E278-N282 VanDerWaalsContact O-CG 3.27Å; E278-N282 PolarHBondContact O-N 3.47Å; E278-N282 PolarHBondContact O-ND2 3.44Å |
| 279 | K | 96.6 | Very high | 96.2 | Very high | 132 Ų | 132 | 110 Ų | 110 | 57% | 0.574 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.2 | -41.5 | 173.5 | -77 | 176.4 | 178.7 | -178.8 | 0 | 112.1 | I275 L276 N282 M283 | I275-K279 HydrophobicContact CG2-CD 4.06Å; I275-K279 HydrophobicContact CG2-CG 4.43Å; I275-K279 WeakPolarHBondContact O-CB 3.36Å; I275-K279 VanDerWaalsContact O-CG 3.27Å; I275-K279 WeakPolarHBondContact O-CG 3.48Å; I275-K279 PolarHBondContact O-N 3.23Å; L276-K279 PolarHBondContact O-N 2.96Å; K279-N282 PolarHBondContact O-N 3.36Å; K279-M283 VanDerWaalsContact O-CB 3.3Å; K279-M283 WeakPolarHBondContact O-CB 3.39Å; K279-M283 PolarHBondContact O-N 3.22Å |
| 280 | E | 95.9 | Very high | 96.2 | Very high | 109 Ų | 109 | 112 Ų | 112 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.4 | -48.2 | 176.3 | -174.7 | 177.2 | -168 | 0 | 0 | 111.7 | L276 K277 E278 N282 M283 I284 | L276-E280 WeakPolarHBondContact O-CB 3.29Å; L276-E280 PolarHBondContact O-N 3.12Å; K277-E280 PolarHBondContact O-N 3.1Å; E278-E280 VanDerWaalsContact C-N 3.31Å; E278-E280 PolarHBondContact O-N 3.16Å; E280-N282 VanDerWaalsContact C-N 3.35Å; E280-N282 PolarHBondContact O-N 3.04Å; E280-M283 WeakPolarHBondContact O-CB 3.45Å; E280-M283 PolarHBondContact O-N 3.41Å; E280-I284 HydrophobicContact CG-CD1 3.97Å; E280-I284 VanDerWaalsContact O-CG1 3.31Å; E280-I284 WeakPolarHBondContact O-CG1 3.32Å; E280-I284 PolarHBondContact O-N 3.38Å |
| 281 | R | 95.8 | Very high | 96.3 | Very high | 177 Ų | 177 | 105.9 Ų | 105.9 | 67% | 0.668 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -57.4 | -46.2 | 175 | -71.8 | 171 | -177.3 | 175.3 | -1.1 | 112.2 | K277 E278 M283 I284 A285 | K277-R281 VanDerWaalsContact O-CG 3.3Å; K277-R281 WeakPolarHBondContact O-CG 3.36Å; K277-R281 PolarHBondContact O-N 2.72Å; E278-R281 PolarHBondContact O-N 3.45Å; R281-M283 VanDerWaalsContact C-N 3.34Å; R281-M283 PolarHBondContact O-N 3.32Å; R281-I284 PolarHBondContact O-N 3.18Å; R281-A285 WeakPolarHBondContact O-CB 3.39Å; R281-A285 PolarHBondContact O-N 2.96Å |
| 282 | N | 96.6 | Very high | 96.3 | Very high | 97 Ų | 97 | 106.5 Ų | 106.5 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 178.5 | -71.4 | -17.1 | 0 | 0 | 0 | 111.9 | E278 K279 E280 A286 | E278-N282 WeakPolarHBondContact O-CB 3.36Å; E278-N282 VanDerWaalsContact O-CG 3.27Å; E278-N282 PolarHBondContact O-N 3.47Å; E278-N282 PolarHBondContact O-ND2 3.44Å; K279-N282 PolarHBondContact O-N 3.36Å; E280-N282 VanDerWaalsContact C-N 3.35Å; E280-N282 PolarHBondContact O-N 3.04Å; N282-A286 WeakPolarHBondContact O-CB 3.06Å; N282-A286 PolarHBondContact O-N 3.18Å |
| 283 | M | 94.8 | Very high | 96.4 | Very high | 120 Ų | 120 | 104.6 Ų | 104.6 | 59% | 0.591 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.3 | -44.2 | 176.1 | 176.6 | 172.5 | 44 | 0 | 0 | 111.8 | K279 E280 R281 A286 H287 | K279-M283 VanDerWaalsContact O-CB 3.3Å; K279-M283 WeakPolarHBondContact O-CB 3.39Å; K279-M283 PolarHBondContact O-N 3.22Å; E280-M283 WeakPolarHBondContact O-CB 3.45Å; E280-M283 PolarHBondContact O-N 3.41Å; R281-M283 VanDerWaalsContact C-N 3.34Å; R281-M283 PolarHBondContact O-N 3.32Å; M283-A286 PolarHBondContact O-N 3.01Å; M283-H287 WeakPolarHBondContact O-CB 3.4Å; M283-H287 PolarHBondContact O-N 3.25Å |
| 284 | I | 96.5 | Very high | 96.4 | Very high | 80 Ų | 80 | 105.3 Ų | 105.3 | 41% | 0.41 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.4 | -50.1 | 176.6 | -68.6 | 168.6 | 0 | 0 | 0 | 110.3 | E280 R281 A286 H287 Y288 | E280-I284 HydrophobicContact CG-CD1 3.97Å; E280-I284 VanDerWaalsContact O-CG1 3.31Å; E280-I284 WeakPolarHBondContact O-CG1 3.32Å; E280-I284 PolarHBondContact O-N 3.38Å; R281-I284 PolarHBondContact O-N 3.18Å; I284-A286 VanDerWaalsContact C-N 3.34Å; I284-A286 PolarHBondContact O-N 3.42Å; I284-H287 WeakPolarHBondContact O-CB 3.42Å; I284-H287 PolarHBondContact O-N 3.03Å; I284-H287 VanDerWaalsContact O-N 3.12Å; I284-Y288 HydrophobicContact CG2-CD2 3.61Å; I284-Y288 HydrophobicContact CG2-CE2 3.4Å; I284-Y288 WeakPolarHBondContact O-CD2 3.29Å; I284-Y288 PolarHBondContact O-N 2.93Å |
| 285 | A | 96.3 | Very high | 96.4 | Very high | 54 Ų | 54 | 106.1 Ų | 106.1 | 45% | 0.446 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.7 | -44.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R281 H287 Y288 E289 | R281-A285 WeakPolarHBondContact O-CB 3.39Å; R281-A285 PolarHBondContact O-N 2.96Å; A285-H287 VanDerWaalsContact C-N 3.33Å; A285-H287 PolarHBondContact O-N 3.4Å; A285-Y288 PolarHBondContact O-N 3.46Å; A285-E289 PolarHBondContact O-N 3.37Å |
| 286 | A | 97 | Very high | 96.4 | Very high | 36 Ų | 36 | 106.1 Ų | 106.1 | 30% | 0.298 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.1 | -36.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N282 M283 I284 R290 | N282-A286 WeakPolarHBondContact O-CB 3.06Å; N282-A286 PolarHBondContact O-N 3.18Å; M283-A286 PolarHBondContact O-N 3.01Å; I284-A286 VanDerWaalsContact C-N 3.34Å; I284-A286 PolarHBondContact O-N 3.42Å; A286-R290 WeakPolarHBondContact O-CB 3.48Å; A286-R290 WeakPolarHBondContact O-CG 3.48Å; A286-R290 PolarHBondContact O-N 3.29Å |
| 287 | H | 97.1 | Very high | 96.4 | Very high | 112 Ų | 112 | 106.1 Ų | 106.1 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65 | -45.9 | 173.5 | 178.5 | -92.3 | 0 | 0 | 0 | 111.6 | M283 I284 A285 E289 R290 A291 | M283-H287 WeakPolarHBondContact O-CB 3.4Å; M283-H287 PolarHBondContact O-N 3.25Å; I284-H287 WeakPolarHBondContact O-CB 3.42Å; I284-H287 PolarHBondContact O-N 3.03Å; I284-H287 VanDerWaalsContact O-N 3.12Å; A285-H287 VanDerWaalsContact C-N 3.33Å; A285-H287 PolarHBondContact O-N 3.4Å; H287-E289 PolarHBondContact O-N 2.93Å; H287-R290 PolarHBondContact O-N 3.09Å; H287-A291 WeakPolarHBondContact O-CB 2.98Å; H287-A291 PolarHBondContact O-N 3.14Å |
| 288 | Y | 96.9 | Very high | 96.4 | Very high | 150 Ų | 150 | 104.5 Ų | 104.5 | 59% | 0.588 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61 | -42.9 | 176.1 | -81.2 | -68 | 0 | 0 | 0 | 112.6 | I284 A285 A291 R292 | I284-Y288 HydrophobicContact CG2-CD2 3.61Å; I284-Y288 HydrophobicContact CG2-CE2 3.4Å; I284-Y288 WeakPolarHBondContact O-CD2 3.29Å; I284-Y288 PolarHBondContact O-N 2.93Å; A285-Y288 PolarHBondContact O-N 3.46Å; Y288-A291 PolarHBondContact O-N 2.96Å; Y288-R292 WeakPolarHBondContact O-CB 3.48Å; Y288-R292 PolarHBondContact O-N 2.97Å |
| 289 | E | 95.4 | Very high | 96.4 | Very high | 90 Ų | 90 | 103.7 Ų | 103.7 | 42% | 0.421 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 176.4 | -80.7 | -60.1 | 136.1 | 0 | 0 | 112.2 | A285 H287 R292 K293 | A285-E289 PolarHBondContact O-N 3.37Å; H287-E289 PolarHBondContact O-N 2.93Å; E289-R292 PolarHBondContact O-N 2.89Å; E289-R292 IonicContact OE1-NH1 3.7Å; E289-K293 WeakPolarHBondContact O-CG 3.44Å; E289-K293 PolarHBondContact O-N 3.28Å |
| 290 | R | 95.5 | Very high | 96.4 | Very high | 142 Ų | 142 | 105.2 Ų | 105.2 | 54% | 0.536 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.8 | -46.9 | 173 | -75.1 | -171.9 | -61.6 | -93.2 | 1.1 | 111.6 | A286 H287 R292 K293 V294 | A286-R290 WeakPolarHBondContact O-CB 3.48Å; A286-R290 WeakPolarHBondContact O-CG 3.48Å; A286-R290 PolarHBondContact O-N 3.29Å; H287-R290 PolarHBondContact O-N 3.09Å; R290-R292 VanDerWaalsContact C-N 3.31Å; R290-R292 PolarHBondContact O-N 3.39Å; R290-K293 PolarHBondContact O-N 2.87Å; R290-V294 WeakPolarHBondContact O-CG2 3.22Å; R290-V294 PolarHBondContact O-N 3.48Å |
| 291 | A | 96.7 | Very high | 96.4 | Very high | 26 Ų | 26 | 105.9 Ų | 105.9 | 22% | 0.215 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | H287 Y288 V294 R295 | H287-A291 WeakPolarHBondContact O-CB 2.98Å; H287-A291 PolarHBondContact O-N 3.14Å; Y288-A291 PolarHBondContact O-N 2.96Å; A291-V294 PolarHBondContact O-N 3.18Å; A291-R295 WeakPolarHBondContact O-CG 3.49Å; A291-R295 PolarHBondContact O-N 3.37Å |
| 292 | R | 97.1 | Very high | 96.5 | Very high | 130 Ų | 130 | 102 Ų | 102 | 49% | 0.491 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 174.1 | -176.7 | -176.2 | -178.6 | -179.4 | 2.5 | 111.6 | Y288 E289 R290 V294 R295 Q296 | Y288-R292 WeakPolarHBondContact O-CB 3.48Å; Y288-R292 PolarHBondContact O-N 2.97Å; E289-R292 PolarHBondContact O-N 2.89Å; E289-R292 IonicContact OE1-NH1 3.7Å; R290-R292 VanDerWaalsContact C-N 3.31Å; R290-R292 PolarHBondContact O-N 3.39Å; R292-V294 PolarHBondContact O-N 3.47Å; R292-R295 PolarHBondContact O-N 2.99Å; R292-Q296 WeakPolarHBondContact O-CG 3.42Å; R292-Q296 PolarHBondContact O-N 3.15Å |
| 293 | K | 96.8 | Very high | 96.5 | Very high | 129 Ų | 129 | 102.6 Ų | 102.6 | 56% | 0.561 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.7 | -42.7 | 177.3 | -69.3 | 179.4 | -175.9 | -176.7 | 0 | 111.7 | E289 R290 R295 Q296 V297 | E289-K293 WeakPolarHBondContact O-CG 3.44Å; E289-K293 PolarHBondContact O-N 3.28Å; R290-K293 PolarHBondContact O-N 2.87Å; K293-R295 PolarHBondContact O-N 3.32Å; K293-Q296 PolarHBondContact O-N 3Å; K293-V297 WeakPolarHBondContact O-CG2 3.48Å; K293-V297 PolarHBondContact O-N 3.4Å |
| 294 | V | 97.1 | Very high | 96.6 | Very high | 86 Ų | 86 | 101.3 Ų | 101.3 | 52% | 0.521 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 175.8 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | R290 A291 R292 Q296 V297 L298 | R290-V294 WeakPolarHBondContact O-CG2 3.22Å; R290-V294 PolarHBondContact O-N 3.48Å; A291-V294 PolarHBondContact O-N 3.18Å; R292-V294 PolarHBondContact O-N 3.47Å; V294-Q296 PolarHBondContact O-N 3.28Å; V294-V297 PolarHBondContact O-N 3.35Å; V294-L298 HydrophobicContact CG1-CD1 4.01Å; V294-L298 HydrophobicContact CG1-CG 4.37Å; V294-L298 WeakPolarHBondContact O-CG 3.36Å; V294-L298 PolarHBondContact O-N 2.86Å |
| 295 | R | 96.4 | Very high | 96.5 | Very high | 152 Ų | 152 | 103.5 Ų | 103.5 | 57% | 0.574 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.5 | -44.2 | 175.5 | -75 | -170.2 | -65.5 | -94.1 | 3.1 | 112.4 | A291 R292 K293 V297 L298 E299 | A291-R295 WeakPolarHBondContact O-CG 3.49Å; A291-R295 PolarHBondContact O-N 3.37Å; R292-R295 PolarHBondContact O-N 2.99Å; K293-R295 PolarHBondContact O-N 3.32Å; R295-V297 PolarHBondContact O-N 3.03Å; R295-L298 PolarHBondContact O-N 3.3Å; R295-E299 PolarHBondContact O-N 3.08Å |
| 296 | Q | 96.8 | Very high | 96.6 | Very high | 84 Ų | 84 | 106.5 Ų | 106.5 | 39% | 0.393 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 177 | -71.6 | 176.1 | -6.6 | 0 | 0 | 112.3 | R292 K293 V294 E299 R300 | R292-Q296 WeakPolarHBondContact O-CG 3.42Å; R292-Q296 PolarHBondContact O-N 3.15Å; K293-Q296 PolarHBondContact O-N 3Å; V294-Q296 PolarHBondContact O-N 3.28Å; Q296-E299 PolarHBondContact O-N 2.85Å; Q296-R300 WeakPolarHBondContact O-CG 3.29Å; Q296-R300 PolarHBondContact O-N 2.9Å |
| 297 | V | 96.8 | Very high | 96.5 | Very high | 87 Ų | 87 | 108.5 Ų | 108.5 | 53% | 0.527 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 176.1 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | K293 V294 R295 E299 R300 K301 | K293-V297 WeakPolarHBondContact O-CG2 3.48Å; K293-V297 PolarHBondContact O-N 3.4Å; V294-V297 PolarHBondContact O-N 3.35Å; R295-V297 PolarHBondContact O-N 3.03Å; V297-E299 PolarHBondContact O-N 2.97Å; V297-R300 PolarHBondContact O-N 3.46Å; V297-K301 VanDerWaalsContact O-CB 3.3Å; V297-K301 WeakPolarHBondContact O-CB 3.27Å; V297-K301 PolarHBondContact O-N 2.84Å |
| 298 | L | 96.8 | Very high | 96.5 | Very high | 95 Ų | 95 | 106.8 Ų | 106.8 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 177.6 | -73.2 | 174.5 | 0 | 0 | 0 | 112.2 | V294 R295 K301 K302 | V294-L298 HydrophobicContact CG1-CD1 4.01Å; V294-L298 HydrophobicContact CG1-CG 4.37Å; V294-L298 WeakPolarHBondContact O-CG 3.36Å; V294-L298 PolarHBondContact O-N 2.86Å; R295-L298 PolarHBondContact O-N 3.3Å; L298-K301 PolarHBondContact O-N 3.19Å; L298-K302 WeakPolarHBondContact O-CB 3.44Å; L298-K302 PolarHBondContact O-N 3.47Å |
| 299 | E | 95.9 | Very high | 96.4 | Very high | 90 Ų | 90 | 105 Ų | 105 | 42% | 0.421 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.3 | -44 | 177.8 | -166.4 | 55.8 | -139 | 0 | 0 | 111.4 | R295 Q296 V297 K301 K302 Q303 | R295-E299 PolarHBondContact O-N 3.08Å; Q296-E299 PolarHBondContact O-N 2.85Å; V297-E299 PolarHBondContact O-N 2.97Å; E299-K301 VanDerWaalsContact C-N 3.32Å; E299-K301 PolarHBondContact O-N 2.86Å; E299-K302 WeakPolarHBondContact O-CB 3.23Å; E299-K302 PolarHBondContact O-N 3.21Å; E299-K302 VanDerWaalsContact O-N 3.09Å; E299-Q303 WeakPolarHBondContact O-CG 3.28Å; E299-Q303 PolarHBondContact O-N 3.2Å |
| 300 | R | 96.4 | Very high | 96.5 | Very high | 164 Ų | 164 | 106.1 Ų | 106.1 | 62% | 0.619 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58.5 | -43.5 | 172.1 | -73.2 | 177.9 | -177.2 | 153 | 1 | 111.9 | Q296 V297 K302 Q303 L304 | Q296-R300 WeakPolarHBondContact O-CG 3.29Å; Q296-R300 PolarHBondContact O-N 2.9Å; V297-R300 PolarHBondContact O-N 3.46Å; R300-K302 VanDerWaalsContact C-N 3.28Å; R300-K302 PolarHBondContact O-N 2.89Å; R300-Q303 PolarHBondContact O-N 2.87Å; R300-L304 WeakPolarHBondContact O-CB 3.5Å; R300-L304 PolarHBondContact O-N 3.44Å |
| 301 | K | 96 | Very high | 96.5 | Very high | 123 Ų | 123 | 103 Ų | 103 | 54% | 0.535 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.2 | -36.4 | 176.4 | -160.9 | -166.2 | 172.4 | -179.8 | 0 | 111.3 | V297 L298 E299 R305 | V297-K301 VanDerWaalsContact O-CB 3.3Å; V297-K301 WeakPolarHBondContact O-CB 3.27Å; V297-K301 PolarHBondContact O-N 2.84Å; L298-K301 PolarHBondContact O-N 3.19Å; E299-K301 VanDerWaalsContact C-N 3.32Å; E299-K301 PolarHBondContact O-N 2.86Å; K301-R305 WeakPolarHBondContact O-CG 3.36Å; K301-R305 PolarHBondContact O-N 3.21Å; K301-R305 VanDerWaalsContact O-N 3.09Å |
| 302 | K | 96.9 | Very high | 96.4 | Very high | 96 Ų | 96 | 108 Ų | 108 | 42% | 0.417 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.7 | -44.6 | 176 | -174.4 | -177.2 | 178.3 | -174.3 | 0 | 111.4 | L298 E299 R300 R305 K306 | L298-K302 WeakPolarHBondContact O-CB 3.44Å; L298-K302 PolarHBondContact O-N 3.47Å; E299-K302 WeakPolarHBondContact O-CB 3.23Å; E299-K302 PolarHBondContact O-N 3.21Å; E299-K302 VanDerWaalsContact O-N 3.09Å; R300-K302 VanDerWaalsContact C-N 3.28Å; R300-K302 PolarHBondContact O-N 2.89Å; K302-R305 PolarHBondContact O-N 3.19Å; K302-K306 WeakPolarHBondContact O-CG 3.33Å; K302-K306 PolarHBondContact O-N 3.08Å |
| 303 | Q | 97.2 | Very high | 96.4 | Very high | 108 Ų | 108 | 108.1 Ų | 108.1 | 51% | 0.505 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 174.9 | -70.5 | 173.5 | -10.1 | 0 | 0 | 111.5 | E299 R300 R305 K306 M307 | E299-Q303 WeakPolarHBondContact O-CG 3.28Å; E299-Q303 PolarHBondContact O-N 3.2Å; R300-Q303 PolarHBondContact O-N 2.87Å; Q303-R305 VanDerWaalsContact C-N 3.34Å; Q303-R305 PolarHBondContact O-N 3.3Å; Q303-K306 WeakPolarHBondContact O-CB 3.33Å; Q303-K306 PolarHBondContact O-N 3.16Å; Q303-K306 VanDerWaalsContact O-N 3.13Å; Q303-M307 WeakPolarHBondContact O-CG 3.48Å; Q303-M307 PolarHBondContact O-N 2.91Å |
| 304 | L | 96.2 | Very high | 96.4 | Very high | 94 Ų | 94 | 106.8 Ų | 106.8 | 49% | 0.492 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 177.7 | -173.8 | 62.7 | 0 | 0 | 0 | 112.3 | R300 K306 M307 I308 | R300-L304 WeakPolarHBondContact O-CB 3.5Å; R300-L304 PolarHBondContact O-N 3.44Å; L304-K306 VanDerWaalsContact C-N 3.34Å; L304-K306 PolarHBondContact O-N 3.04Å; L304-M307 HydrophobicContact CD1-CE 3.67Å; L304-M307 PolarHBondContact O-N 3.46Å; L304-I308 HydrophobicContact CD1-CD1 4.41Å; L304-I308 HydrophobicContact CG-CD1 4.03Å; L304-I308 VanDerWaalsContact O-CG1 3.3Å; L304-I308 WeakPolarHBondContact O-CG1 3.44Å; L304-I308 PolarHBondContact O-N 3.29Å |
| 305 | R | 96.2 | Very high | 96.2 | Very high | 125 Ų | 125 | 107 Ų | 107 | 47% | 0.472 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.5 | -43.3 | 173.4 | -79.6 | -167.9 | -63.1 | -86.7 | 1.2 | 112.2 | K301 K302 Q303 I308 E309 | K301-R305 WeakPolarHBondContact O-CG 3.36Å; K301-R305 PolarHBondContact O-N 3.21Å; K301-R305 VanDerWaalsContact O-N 3.09Å; K302-R305 PolarHBondContact O-N 3.19Å; Q303-R305 VanDerWaalsContact C-N 3.34Å; Q303-R305 PolarHBondContact O-N 3.3Å; R305-I308 PolarHBondContact O-N 2.84Å; R305-E309 WeakPolarHBondContact O-CB 3.1Å; R305-E309 PolarHBondContact O-N 2.98Å |
| 306 | K | 97.3 | Very high | 96.2 | Very high | 118 Ų | 118 | 107.4 Ų | 107.4 | 51% | 0.513 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.9 | -48.3 | 176.8 | -73.2 | -178.6 | 173.1 | -169 | 0 | 111.6 | K302 Q303 L304 I308 E309 E310 | K302-K306 WeakPolarHBondContact O-CG 3.33Å; K302-K306 PolarHBondContact O-N 3.08Å; Q303-K306 WeakPolarHBondContact O-CB 3.33Å; Q303-K306 PolarHBondContact O-N 3.16Å; Q303-K306 VanDerWaalsContact O-N 3.13Å; L304-K306 VanDerWaalsContact C-N 3.34Å; L304-K306 PolarHBondContact O-N 3.04Å; K306-I308 VanDerWaalsContact C-N 3.33Å; K306-I308 PolarHBondContact O-N 3.48Å; K306-E309 PolarHBondContact O-N 2.72Å; K306-E309 VanDerWaalsContact O-N 3.12Å; K306-E310 WeakPolarHBondContact O-CG 3.34Å; K306-E310 PolarHBondContact O-N 3.36Å |
| 307 | M | 96 | Very high | 96.1 | Very high | 78 Ų | 78 | 107.4 Ų | 107.4 | 38% | 0.384 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.6 | -39.5 | 178.7 | -65.2 | -169.1 | -48.7 | 0 | 0 | 112.6 | L150 Q303 L304 E309 Y311 | L150-M307 HydrophobicContact CD2-CE 4.45Å; L150-M307 HydrophobicContact CD2-SD 4.29Å; Q303-M307 WeakPolarHBondContact O-CG 3.48Å; Q303-M307 PolarHBondContact O-N 2.91Å; L304-M307 HydrophobicContact CD1-CE 3.67Å; L304-M307 PolarHBondContact O-N 3.46Å; M307-E309 VanDerWaalsContact C-N 3.32Å; M307-Y311 WeakPolarHBondContact O-CB 3.44Å; M307-Y311 PolarHBondContact O-N 3.33Å |
| 308 | I | 95.9 | Very high | 96.1 | Very high | 75 Ų | 75 | 106 Ų | 106 | 39% | 0.385 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 176.1 | -69.8 | 167.4 | 0 | 0 | 0 | 110.7 | L304 R305 K306 Y311 R312 | L304-I308 HydrophobicContact CD1-CD1 4.41Å; L304-I308 HydrophobicContact CG-CD1 4.03Å; L304-I308 VanDerWaalsContact O-CG1 3.3Å; L304-I308 WeakPolarHBondContact O-CG1 3.44Å; L304-I308 PolarHBondContact O-N 3.29Å; R305-I308 PolarHBondContact O-N 2.84Å; K306-I308 VanDerWaalsContact C-N 3.33Å; K306-I308 PolarHBondContact O-N 3.48Å; I308-Y311 PolarHBondContact O-N 2.91Å; I308-R312 VanDerWaalsContact O-CG 3.29Å; I308-R312 WeakPolarHBondContact O-CG 3.22Å; I308-R312 PolarHBondContact O-N 3.26Å |
| 309 | E | 95.9 | Very high | 96 | Very high | 112 Ų | 112 | 109.4 Ų | 109.4 | 52% | 0.523 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.3 | -41.1 | 179.4 | -163.4 | 58.7 | -152.8 | 0 | 0 | 112 | R305 K306 M307 R312 K313 | R305-E309 WeakPolarHBondContact O-CB 3.1Å; R305-E309 PolarHBondContact O-N 2.98Å; K306-E309 PolarHBondContact O-N 2.72Å; K306-E309 VanDerWaalsContact O-N 3.12Å; M307-E309 VanDerWaalsContact C-N 3.32Å; E309-R312 PolarHBondContact O-N 3.44Å; E309-R312 IonicContact OE2-NH1 2.66Å; E309-K313 WeakPolarHBondContact O-CB 3.05Å; E309-K313 PolarHBondContact O-N 2.97Å |
| 310 | E | 96.7 | Very high | 96 | Very high | 114 Ų | 114 | 110.4 Ų | 110.4 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59 | -46.7 | 172 | -72.6 | 162.4 | -171.1 | 0 | 0 | 111.1 | K306 R312 K313 E314 | K306-E310 WeakPolarHBondContact O-CG 3.34Å; K306-E310 PolarHBondContact O-N 3.36Å; E310-R312 PolarHBondContact O-N 3.22Å; E310-K313 WeakPolarHBondContact O-CB 3.38Å; E310-K313 PolarHBondContact O-N 3.12Å; E310-E314 WeakPolarHBondContact O-CG 3.5Å; E310-E314 PolarHBondContact O-N 2.96Å |
| 311 | Y | 95.4 | Very high | 96 | Very high | 77 Ų | 77 | 106.8 Ų | 106.8 | 30% | 0.302 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 176.5 | -179 | -112.2 | 0 | 0 | 0 | 112.8 | L143 Y147 M307 I308 K313 E314 L315 | L143-Y311 HydrophobicContact CD2-CE2 4.15Å; Y147-Y311 WeakPolarHBondContact OH-CD2 3.36Å; Y147-Y311 VanDerWaalsContact OH-CE2 3.22Å; Y147-Y311 WeakPolarHBondContact OH-CE2 3.31Å; M307-Y311 WeakPolarHBondContact O-CB 3.44Å; M307-Y311 PolarHBondContact O-N 3.33Å; I308-Y311 PolarHBondContact O-N 2.91Å; Y311-K313 VanDerWaalsContact C-N 3.34Å; Y311-E314 PolarHBondContact O-N 3.03Å; Y311-L315 HydrophobicContact CD1-CD1 3.99Å; Y311-L315 HydrophobicContact CE1-CD1 3.49Å; Y311-L315 VanDerWaalsContact CE1-CD1 3.49Å; Y311-L315 HydrophobicContact CE1-CG 4.15Å; Y311-L315 HydrophobicContact CE2-CD2 4.5Å; Y311-L315 HydrophobicContact CE2-CG 4.38Å; Y311-L315 WeakPolarHBondContact O-CG 3.49Å; Y311-L315 PolarHBondContact O-N 3.25Å |
| 312 | R | 95.2 | Very high | 95.9 | Very high | 132 Ų | 132 | 104.5 Ų | 104.5 | 50% | 0.498 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 174.5 | -76 | 169.9 | 174 | -172.8 | -4.5 | 111.1 | I308 E309 E310 L315 Y316 | I308-R312 VanDerWaalsContact O-CG 3.29Å; I308-R312 WeakPolarHBondContact O-CG 3.22Å; I308-R312 PolarHBondContact O-N 3.26Å; E309-R312 PolarHBondContact O-N 3.44Å; E309-R312 IonicContact OE2-NH1 2.66Å; E310-R312 PolarHBondContact O-N 3.22Å; R312-L315 PolarHBondContact O-N 3.3Å; R312-Y316 WeakPolarHBondContact O-CD2 3.46Å; R312-Y316 PolarHBondContact O-N 2.92Å |
| 313 | K | 96.6 | Very high | 95.8 | Very high | 132 Ų | 132 | 103.9 Ų | 103.9 | 57% | 0.574 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60 | -46.7 | 177.3 | -174.7 | 177.5 | 171.6 | -177 | 0 | 111.4 | E309 E310 Y311 L315 Y316 E317 | E309-K313 WeakPolarHBondContact O-CB 3.05Å; E309-K313 PolarHBondContact O-N 2.97Å; E310-K313 WeakPolarHBondContact O-CB 3.38Å; E310-K313 PolarHBondContact O-N 3.12Å; Y311-K313 VanDerWaalsContact C-N 3.34Å; K313-L315 VanDerWaalsContact C-N 3.31Å; K313-L315 PolarHBondContact O-N 3.25Å; K313-Y316 PolarHBondContact O-N 3.47Å; K313-Y316 VanDerWaalsContact O-N 3.16Å; K313-E317 WeakPolarHBondContact CE-OE1 3.41Å; K313-E317 IonicContact NZ-OE1 2.69Å; K313-E317 WeakPolarHBondContact O-CG 3.21Å; K313-E317 PolarHBondContact O-N 2.81Å |
| 314 | E | 96.1 | Very high | 95.8 | Very high | 100 Ų | 100 | 103 Ų | 103 | 47% | 0.467 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.8 | -40.6 | 175.4 | -72 | -179.9 | -169 | 0 | 0 | 112.5 | E310 Y311 E317 A318 | E310-E314 WeakPolarHBondContact O-CG 3.5Å; E310-E314 PolarHBondContact O-N 2.96Å; Y311-E314 PolarHBondContact O-N 3.03Å; E314-E317 PolarHBondContact O-N 3.2Å; E314-A318 VanDerWaalsContact O-CB 3.31Å; E314-A318 WeakPolarHBondContact O-CB 3.47Å; E314-A318 PolarHBondContact O-N 3.45Å |
| 315 | L | 94.3 | Very high | 95.9 | Very high | 90 Ų | 90 | 104.8 Ų | 104.8 | 47% | 0.471 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65 | -40.3 | 176.1 | -73 | 178.2 | 0 | 0 | 0 | 112.4 | Y311 R312 K313 R319 | Y311-L315 HydrophobicContact CD1-CD1 3.99Å; Y311-L315 HydrophobicContact CE1-CD1 3.49Å; Y311-L315 VanDerWaalsContact CE1-CD1 3.49Å; Y311-L315 HydrophobicContact CE1-CG 4.15Å; Y311-L315 HydrophobicContact CE2-CD2 4.5Å; Y311-L315 HydrophobicContact CE2-CG 4.38Å; Y311-L315 WeakPolarHBondContact O-CG 3.49Å; Y311-L315 PolarHBondContact O-N 3.25Å; R312-L315 PolarHBondContact O-N 3.3Å; K313-L315 VanDerWaalsContact C-N 3.31Å; K313-L315 PolarHBondContact O-N 3.25Å; L315-R319 WeakPolarHBondContact O-CB 3.36Å; L315-R319 PolarHBondContact O-N 3.06Å |
| 316 | Y | 95 | Very high | 95.9 | Very high | 162 Ų | 162 | 101.3 Ų | 101.3 | 64% | 0.635 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.6 | -46.7 | 175.1 | -77.6 | -64.9 | 0 | 0 | 0 | 111.4 | R312 K313 A318 R319 E320 | R312-Y316 WeakPolarHBondContact O-CD2 3.46Å; R312-Y316 PolarHBondContact O-N 2.92Å; K313-Y316 PolarHBondContact O-N 3.47Å; K313-Y316 VanDerWaalsContact O-N 3.16Å; Y316-A318 PolarHBondContact O-N 2.85Å; Y316-R319 WeakPolarHBondContact O-CB 3.5Å; Y316-R319 PolarHBondContact O-N 3.46Å; Y316-E320 WeakPolarHBondContact O-CB 3.37Å; Y316-E320 PolarHBondContact O-N 2.88Å |
| 317 | E | 96.1 | Very high | 95.8 | Very high | 84 Ų | 84 | 101.6 Ų | 101.6 | 39% | 0.393 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 178.2 | -71.8 | 175.1 | -177.3 | 0 | 0 | 111.7 | K313 E314 R319 E320 Q321 | K313-E317 WeakPolarHBondContact CE-OE1 3.41Å; K313-E317 IonicContact NZ-OE1 2.69Å; K313-E317 WeakPolarHBondContact O-CG 3.21Å; K313-E317 PolarHBondContact O-N 2.81Å; E314-E317 PolarHBondContact O-N 3.2Å; E317-R319 VanDerWaalsContact C-N 3.34Å; E317-R319 PolarHBondContact O-N 3.33Å; E317-E320 PolarHBondContact O-N 3.11Å; E317-Q321 WeakPolarHBondContact O-CB 3.46Å; E317-Q321 VanDerWaalsContact O-CG 3.28Å; E317-Q321 WeakPolarHBondContact O-CG 3.28Å; E317-Q321 PolarHBondContact O-N 2.86Å |
| 318 | A | 96.3 | Very high | 95.8 | Very high | 56 Ų | 56 | 103.5 Ų | 103.5 | 46% | 0.463 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E314 Y316 S322 | E314-A318 VanDerWaalsContact O-CB 3.31Å; E314-A318 WeakPolarHBondContact O-CB 3.47Å; E314-A318 PolarHBondContact O-N 3.45Å; Y316-A318 PolarHBondContact O-N 2.85Å; A318-S322 PolarHBondContact O-N 3.1Å |
| 319 | R | 94.6 | Very high | 95.8 | Very high | 167 Ų | 167 | 108.3 Ų | 108.3 | 63% | 0.63 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.2 | -46.2 | 174.5 | -178.6 | -177.3 | -179 | -170.7 | 0.1 | 110.9 | L315 Y316 E317 S322 I323 | L315-R319 WeakPolarHBondContact O-CB 3.36Å; L315-R319 PolarHBondContact O-N 3.06Å; Y316-R319 WeakPolarHBondContact O-CB 3.5Å; Y316-R319 PolarHBondContact O-N 3.46Å; E317-R319 VanDerWaalsContact C-N 3.34Å; E317-R319 PolarHBondContact O-N 3.33Å; R319-S322 WeakPolarHBondContact O-CB 3.47Å; R319-S322 PolarHBondContact O-N 2.95Å; R319-I323 HydrophobicContact CG-CD1 4Å; R319-I323 WeakPolarHBondContact O-CG1 3.28Å; R319-I323 PolarHBondContact O-N 2.83Å |
| 320 | E | 95.7 | Very high | 95.9 | Very high | 111 Ų | 111 | 107.6 Ų | 107.6 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 179.6 | -171.3 | 176 | -174 | 0 | 0 | 111.2 | Y316 E317 S322 I323 Q324 | Y316-E320 WeakPolarHBondContact O-CB 3.37Å; Y316-E320 PolarHBondContact O-N 2.88Å; E317-E320 PolarHBondContact O-N 3.11Å; E320-S322 VanDerWaalsContact C-N 3.28Å; E320-S322 PolarHBondContact O-N 3.19Å; E320-I323 PolarHBondContact O-N 3.11Å; E320-I323 VanDerWaalsContact O-N 3.12Å; E320-Q324 HydrophobicContact CG-CG 4.48Å; E320-Q324 WeakPolarHBondContact O-CB 3.47Å; E320-Q324 WeakPolarHBondContact O-CG 3.44Å; E320-Q324 PolarHBondContact O-N 3.07Å |
| 321 | Q | 96.2 | Very high | 95.8 | Very high | 89 Ų | 89 | 106 Ų | 106 | 42% | 0.416 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.9 | -39.4 | 174.1 | -72.5 | 176 | 15.4 | 0 | 0 | 112.4 | E317 I323 Q324 R325 | E317-Q321 WeakPolarHBondContact O-CB 3.46Å; E317-Q321 VanDerWaalsContact O-CG 3.28Å; E317-Q321 WeakPolarHBondContact O-CG 3.28Å; E317-Q321 PolarHBondContact O-N 2.86Å; Q321-I323 VanDerWaalsContact C-N 3.35Å; Q321-Q324 PolarHBondContact O-N 3.49Å; Q321-R325 WeakPolarHBondContact O-CB 3.34Å; Q321-R325 VanDerWaalsContact O-CG 3.28Å; Q321-R325 WeakPolarHBondContact O-CG 3.49Å; Q321-R325 PolarHBondContact O-N 3.24Å |
| 322 | S | 93.6 | Very high | 95.9 | Very high | 74 Ų | 74 | 105.7 Ų | 105.7 | 52% | 0.517 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 177 | -171.3 | 0 | 0 | 0 | 0 | 112.1 | A318 R319 E320 A326 | A318-S322 PolarHBondContact O-N 3.1Å; R319-S322 WeakPolarHBondContact O-CB 3.47Å; R319-S322 PolarHBondContact O-N 2.95Å; E320-S322 VanDerWaalsContact C-N 3.28Å; E320-S322 PolarHBondContact O-N 3.19Å; S322-A326 WeakPolarHBondContact O-CB 3.44Å; S322-A326 PolarHBondContact O-N 3.46Å; S322-A326 VanDerWaalsContact O-N 3.11Å |
| 323 | I | 96.1 | Very high | 96 | Very high | 84 Ų | 84 | 107.9 Ų | 107.9 | 43% | 0.431 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.8 | -46.4 | 175.3 | -68.3 | 167.6 | 0 | 0 | 0 | 110.1 | R319 E320 Q321 R325 A326 M327 | R319-I323 HydrophobicContact CG-CD1 4Å; R319-I323 WeakPolarHBondContact O-CG1 3.28Å; R319-I323 PolarHBondContact O-N 2.83Å; E320-I323 PolarHBondContact O-N 3.11Å; E320-I323 VanDerWaalsContact O-N 3.12Å; Q321-I323 VanDerWaalsContact C-N 3.35Å; I323-R325 PolarHBondContact O-N 3.36Å; I323-A326 WeakPolarHBondContact O-CB 3.23Å; I323-A326 PolarHBondContact O-N 3.09Å; I323-A326 VanDerWaalsContact O-N 3.1Å; I323-M327 HydrophobicContact CG2-CG 4.32Å; I323-M327 HydrophobicContact CG2-SD 3.95Å; I323-M327 WeakPolarHBondContact O-CG 3.43Å; I323-M327 PolarHBondContact O-N 3.29Å |
| 324 | Q | 97 | Very high | 95.9 | Very high | 89 Ų | 89 | 106.1 Ų | 106.1 | 42% | 0.416 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57 | -49.6 | 177.1 | -73.6 | 173.6 | -3.2 | 0 | 0 | 111.3 | E320 Q321 A326 M327 E328 | E320-Q324 HydrophobicContact CG-CG 4.48Å; E320-Q324 WeakPolarHBondContact O-CB 3.47Å; E320-Q324 WeakPolarHBondContact O-CG 3.44Å; E320-Q324 PolarHBondContact O-N 3.07Å; Q321-Q324 PolarHBondContact O-N 3.49Å; Q324-A326 VanDerWaalsContact C-N 3.28Å; Q324-A326 PolarHBondContact O-N 3.46Å; Q324-M327 WeakPolarHBondContact O-CB 3.34Å; Q324-M327 PolarHBondContact O-N 3.13Å; Q324-M327 VanDerWaalsContact O-N 3.11Å; Q324-E328 WeakPolarHBondContact O-CG 3.41Å; Q324-E328 PolarHBondContact O-N 3.3Å |
| 325 | R | 96.8 | Very high | 95.9 | Very high | 132 Ų | 132 | 103.6 Ų | 103.6 | 50% | 0.498 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.4 | -35.9 | 175.7 | -70.1 | 175.1 | -162.4 | 147.2 | 10.1 | 112.7 | Q321 I323 R329 | Q321-R325 WeakPolarHBondContact O-CB 3.34Å; Q321-R325 VanDerWaalsContact O-CG 3.28Å; Q321-R325 WeakPolarHBondContact O-CG 3.49Å; Q321-R325 PolarHBondContact O-N 3.24Å; I323-R325 PolarHBondContact O-N 3.36Å; R325-R329 VanDerWaalsContact O-CG 3.23Å; R325-R329 WeakPolarHBondContact O-CG 3.46Å; R325-R329 PolarHBondContact O-N 3.29Å; R325-R329 VanDerWaalsContact O-N 3.07Å |
| 326 | A | 96.3 | Very high | 96 | Very high | 51 Ų | 51 | 105 Ų | 105 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.2 | -42.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S322 I323 Q324 R329 V330 | S322-A326 WeakPolarHBondContact O-CB 3.44Å; S322-A326 PolarHBondContact O-N 3.46Å; S322-A326 VanDerWaalsContact O-N 3.11Å; I323-A326 WeakPolarHBondContact O-CB 3.23Å; I323-A326 PolarHBondContact O-N 3.09Å; I323-A326 VanDerWaalsContact O-N 3.1Å; Q324-A326 VanDerWaalsContact C-N 3.28Å; Q324-A326 PolarHBondContact O-N 3.46Å; A326-R329 PolarHBondContact O-N 2.96Å; A326-V330 WeakPolarHBondContact O-CG2 3.37Å; A326-V330 PolarHBondContact O-N 3.29Å; A326-V330 VanDerWaalsContact O-N 3.09Å |
| 327 | M | 96.5 | Very high | 96.1 | Very high | 125 Ų | 125 | 102.7 Ų | 102.7 | 62% | 0.616 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.6 | -44.7 | 175.1 | -70.6 | 177.1 | 65.3 | 0 | 0 | 111.8 | I323 Q324 R329 V330 S331 | I323-M327 HydrophobicContact CG2-CG 4.32Å; I323-M327 HydrophobicContact CG2-SD 3.95Å; I323-M327 WeakPolarHBondContact O-CG 3.43Å; I323-M327 PolarHBondContact O-N 3.29Å; Q324-M327 WeakPolarHBondContact O-CB 3.34Å; Q324-M327 PolarHBondContact O-N 3.13Å; Q324-M327 VanDerWaalsContact O-N 3.11Å; M327-R329 VanDerWaalsContact C-N 3.35Å; M327-R329 PolarHBondContact O-N 3.45Å; M327-V330 PolarHBondContact O-N 3.38Å; M327-S331 WeakPolarHBondContact O-CB 3.28Å; M327-S331 PolarHBondContact O-N 2.91Å |
| 328 | E | 95.8 | Very high | 96.1 | Very high | 117 Ų | 117 | 104.4 Ų | 104.4 | 55% | 0.547 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.6 | -45.1 | 175.1 | -73.7 | 169.7 | 178.7 | 0 | 0 | 111.4 | Q324 V330 S331 C332 | Q324-E328 WeakPolarHBondContact O-CG 3.41Å; Q324-E328 PolarHBondContact O-N 3.3Å; E328-V330 VanDerWaalsContact C-N 3.31Å; E328-V330 PolarHBondContact O-N 3.29Å; E328-S331 PolarHBondContact O-N 3.36Å; E328-C332 WeakPolarHBondContact O-CB 3.31Å; E328-C332 PolarHBondContact O-N 2.83Å; E328-C332 PolarHBondContact O-SG 2.93Å |
| 329 | R | 96.1 | Very high | 96.1 | Very high | 177 Ų | 177 | 108.8 Ų | 108.8 | 67% | 0.668 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.4 | -40 | 176 | -74.2 | 172.7 | -171.5 | -163.7 | 2.3 | 112.5 | R325 A326 M327 R333 | R325-R329 VanDerWaalsContact O-CG 3.23Å; R325-R329 WeakPolarHBondContact O-CG 3.46Å; R325-R329 PolarHBondContact O-N 3.29Å; R325-R329 VanDerWaalsContact O-N 3.07Å; A326-R329 PolarHBondContact O-N 2.96Å; M327-R329 VanDerWaalsContact C-N 3.35Å; M327-R329 PolarHBondContact O-N 3.45Å; R329-R333 VanDerWaalsContact O-CG 3.28Å; R329-R333 WeakPolarHBondContact O-CG 3.48Å; R329-R333 PolarHBondContact O-N 3.27Å; R329-R333 VanDerWaalsContact O-N 3.13Å |
| 330 | V | 96.7 | Very high | 96.2 | Very high | 97 Ų | 97 | 109.8 Ų | 109.8 | 59% | 0.588 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.8 | -44.7 | 176.6 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | A326 M327 E328 R333 L334 | A326-V330 WeakPolarHBondContact O-CG2 3.37Å; A326-V330 PolarHBondContact O-N 3.29Å; A326-V330 VanDerWaalsContact O-N 3.09Å; M327-V330 PolarHBondContact O-N 3.38Å; E328-V330 VanDerWaalsContact C-N 3.31Å; E328-V330 PolarHBondContact O-N 3.29Å; V330-R333 PolarHBondContact O-N 2.88Å; V330-L334 PolarHBondContact O-N 3.43Å |
| 331 | S | 96.3 | Very high | 96.2 | Very high | 79 Ų | 79 | 108 Ų | 108 | 55% | 0.552 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.8 | -46.1 | 177.7 | -174.9 | 0 | 0 | 0 | 0 | 112.1 | M327 E328 R333 L334 S335 | M327-S331 WeakPolarHBondContact O-CB 3.28Å; M327-S331 PolarHBondContact O-N 2.91Å; E328-S331 PolarHBondContact O-N 3.36Å; S331-R333 PolarHBondContact O-N 3.4Å; S331-L334 PolarHBondContact O-N 3.29Å; S331-S335 PolarHBondContact O-N 2.92Å |
| 332 | C | 96.8 | Very high | 96.3 | Very high | 72 Ų | 72 | 106.6 Ų | 106.6 | 49% | 0.486 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.1 | -46 | 175.2 | -71 | 0 | 0 | 0 | 0 | 111.6 | E328 L334 S335 E336 | E328-C332 WeakPolarHBondContact O-CB 3.31Å; E328-C332 PolarHBondContact O-N 2.83Å; E328-C332 PolarHBondContact O-SG 2.93Å; C332-L334 PolarHBondContact O-N 2.98Å; C332-S335 PolarHBondContact O-N 3.41Å; C332-E336 WeakPolarHBondContact O-CB 3.36Å; C332-E336 VanDerWaalsContact O-CG 3.29Å; C332-E336 WeakPolarHBondContact O-CG 3.36Å; C332-E336 PolarHBondContact O-N 2.86Å |
| 333 | R | 96.3 | Very high | 96.5 | Very high | 177 Ų | 177 | 106 Ų | 106 | 67% | 0.668 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.5 | -44.1 | 177 | -75.4 | 176.1 | -176.5 | -170.8 | 0.5 | 112.4 | R329 V330 S331 E336 E337 | R329-R333 VanDerWaalsContact O-CG 3.28Å; R329-R333 WeakPolarHBondContact O-CG 3.48Å; R329-R333 PolarHBondContact O-N 3.27Å; R329-R333 VanDerWaalsContact O-N 3.13Å; V330-R333 PolarHBondContact O-N 2.88Å; S331-R333 PolarHBondContact O-N 3.4Å; R333-E336 PolarHBondContact O-N 3.39Å; R333-E337 WeakPolarHBondContact O-CB 3.29Å; R333-E337 PolarHBondContact O-N 2.89Å |
| 334 | L | 95.9 | Very high | 96.5 | Very high | 95 Ų | 95 | 106 Ų | 106 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 178 | -177.7 | 63.9 | 0 | 0 | 0 | 111.3 | V330 S331 C332 E337 Q338 | V330-L334 PolarHBondContact O-N 3.43Å; S331-L334 PolarHBondContact O-N 3.29Å; C332-L334 PolarHBondContact O-N 2.98Å; L334-E337 PolarHBondContact O-N 2.88Å; L334-Q338 WeakPolarHBondContact O-CB 3.33Å; L334-Q338 VanDerWaalsContact O-CG 3.31Å; L334-Q338 WeakPolarHBondContact O-CG 3.01Å; L334-Q338 PolarHBondContact O-N 3.42Å |
| 335 | S | 96.2 | Very high | 96.5 | Very high | 47 Ų | 47 | 109.7 Ų | 109.7 | 33% | 0.329 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 176.6 | -169.6 | 0 | 0 | 0 | 0 | 112.1 | S331 C332 Q338 K339 | S331-S335 PolarHBondContact O-N 2.92Å; C332-S335 PolarHBondContact O-N 3.41Å; S335-Q338 PolarHBondContact O-N 2.92Å; S335-K339 WeakPolarHBondContact O-CG 3.35Å; S335-K339 PolarHBondContact O-N 2.91Å |
| 336 | E | 95.9 | Very high | 96.5 | Very high | 119 Ų | 119 | 112.4 Ų | 112.4 | 56% | 0.556 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.8 | -44 | 174.9 | -74.7 | 171.9 | -177.8 | 0 | 0 | 111.5 | C332 R333 K339 R340 | C332-E336 WeakPolarHBondContact O-CB 3.36Å; C332-E336 VanDerWaalsContact O-CG 3.29Å; C332-E336 WeakPolarHBondContact O-CG 3.36Å; C332-E336 PolarHBondContact O-N 2.86Å; R333-E336 PolarHBondContact O-N 3.39Å; E336-K339 PolarHBondContact O-N 2.66Å; E336-R340 WeakPolarHBondContact O-CG 3.42Å; E336-R340 PolarHBondContact O-N 3.2Å |
| 337 | E | 96.2 | Very high | 96.6 | Very high | 115 Ų | 115 | 116 Ų | 116 | 54% | 0.537 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.3 | -43.8 | 176.8 | -171.4 | 175.9 | -176.9 | 0 | 0 | 111.7 | R333 L334 K339 R340 L341 | R333-E337 WeakPolarHBondContact O-CB 3.29Å; R333-E337 PolarHBondContact O-N 2.89Å; L334-E337 PolarHBondContact O-N 2.88Å; E337-K339 VanDerWaalsContact C-N 3.34Å; E337-K339 PolarHBondContact O-N 2.98Å; E337-R340 PolarHBondContact O-N 3.24Å; E337-L341 HydrophobicContact CG-CD1 4.27Å; E337-L341 WeakPolarHBondContact O-CG 3.47Å; E337-L341 PolarHBondContact O-N 3.1Å |
| 338 | Q | 96.2 | Very high | 96.6 | Very high | 120 Ų | 120 | 115.6 Ų | 115.6 | 56% | 0.561 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -59 | -43.9 | 173.6 | -76.1 | 178.2 | -4.5 | 0 | 0 | 112.1 | L334 S335 L341 A342 | L334-Q338 WeakPolarHBondContact O-CB 3.33Å; L334-Q338 VanDerWaalsContact O-CG 3.31Å; L334-Q338 WeakPolarHBondContact O-CG 3.01Å; L334-Q338 PolarHBondContact O-N 3.42Å; S335-Q338 PolarHBondContact O-N 2.92Å; Q338-L341 PolarHBondContact O-N 2.96Å; Q338-A342 WeakPolarHBondContact O-CB 3.42Å; Q338-A342 PolarHBondContact O-N 3.05Å |
| 339 | K | 96.8 | Very high | 96.7 | Very high | 148 Ų | 148 | 119.1 Ų | 119.1 | 64% | 0.643 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.5 | -40.8 | 175.9 | -73 | 174.7 | -175.6 | 176.6 | 0 | 111.8 | S335 E336 E337 A342 S343 | S335-K339 WeakPolarHBondContact O-CG 3.35Å; S335-K339 PolarHBondContact O-N 2.91Å; E336-K339 PolarHBondContact O-N 2.66Å; E337-K339 VanDerWaalsContact C-N 3.34Å; E337-K339 PolarHBondContact O-N 2.98Å; K339-A342 PolarHBondContact O-N 2.93Å; K339-S343 PolarHBondContact O-N 2.93Å; K339-S343 PolarHBondContact O-OG 3.43Å |
| 340 | R | 96.9 | Very high | 96.7 | Very high | 188 Ų | 188 | 116 Ų | 116 | 71% | 0.709 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64 | -45.6 | 175.7 | -74.8 | -173.8 | 69.2 | 150.3 | 3.8 | 112.1 | E336 E337 A342 S343 E344 | E336-R340 WeakPolarHBondContact O-CG 3.42Å; E336-R340 PolarHBondContact O-N 3.2Å; E337-R340 PolarHBondContact O-N 3.24Å; R340-A342 VanDerWaalsContact C-N 3.3Å; R340-A342 PolarHBondContact O-N 3.48Å; R340-S343 PolarHBondContact O-N 3.44Å; R340-S343 PolarHBondContact O-OG 3.33Å; R340-E344 WeakPolarHBondContact O-CB 3.21Å; R340-E344 PolarHBondContact O-N 2.97Å |
| 341 | L | 96.7 | Very high | 96.7 | Very high | 74 Ų | 74 | 116.9 Ų | 116.9 | 39% | 0.387 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.3 | -37 | 176.6 | -70.5 | 172.5 | 0 | 0 | 0 | 111.5 | E337 Q338 R345 | E337-L341 HydrophobicContact CG-CD1 4.27Å; E337-L341 WeakPolarHBondContact O-CG 3.47Å; E337-L341 PolarHBondContact O-N 3.1Å; Q338-L341 PolarHBondContact O-N 2.96Å; L341-R345 WeakPolarHBondContact O-CB 3.31Å; L341-R345 WeakPolarHBondContact O-CG 3.29Å; L341-R345 PolarHBondContact O-N 3.31Å |
| 342 | A | 97.4 | Very high | 96.7 | Very high | 58 Ų | 58 | 117.3 Ų | 117.3 | 48% | 0.479 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q338 K339 R340 R345 R346 | Q338-A342 WeakPolarHBondContact O-CB 3.42Å; Q338-A342 PolarHBondContact O-N 3.05Å; K339-A342 PolarHBondContact O-N 2.93Å; R340-A342 VanDerWaalsContact C-N 3.3Å; R340-A342 PolarHBondContact O-N 3.48Å; A342-R345 PolarHBondContact O-N 3.38Å; A342-R346 PolarHBondContact O-N 2.9Å |
| 343 | S | 97.3 | Very high | 96.8 | Very high | 61 Ų | 61 | 118.3 Ų | 118.3 | 43% | 0.427 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.6 | -40.1 | 176.7 | 66.4 | 0 | 0 | 0 | 0 | 112.1 | K339 R340 R346 Q347 | K339-S343 PolarHBondContact O-N 2.93Å; K339-S343 PolarHBondContact O-OG 3.43Å; R340-S343 PolarHBondContact O-N 3.44Å; R340-S343 PolarHBondContact O-OG 3.33Å; S343-R346 WeakPolarHBondContact O-CB 3.32Å; S343-R346 PolarHBondContact O-N 3.38Å; S343-Q347 WeakPolarHBondContact O-CG 3.48Å; S343-Q347 PolarHBondContact O-N 2.92Å |
| 344 | E | 97.4 | Very high | 96.8 | Very high | 84 Ų | 84 | 116.4 Ų | 116.4 | 39% | 0.393 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 174.5 | -170.3 | -171 | 153.9 | 0 | 0 | 111.6 | R340 R346 Q347 K348 | R340-E344 WeakPolarHBondContact O-CB 3.21Å; R340-E344 PolarHBondContact O-N 2.97Å; E344-R346 VanDerWaalsContact C-N 3.3Å; E344-R346 PolarHBondContact O-N 3.01Å; E344-Q347 PolarHBondContact O-N 3.44Å; E344-K348 HydrophobicContact CG-CD 4.36Å; E344-K348 WeakPolarHBondContact O-CG 3.43Å; E344-K348 PolarHBondContact O-N 3.25Å; E344-K348 VanDerWaalsContact OE1-CE 3.32Å; E344-K348 WeakPolarHBondContact OE1-CE 3.5Å; E344-K348 IonicContact OE1-NZ 2.65Å; E344-K348 PolarHBondContact OE1-NZ 3.23Å |
| 345 | R | 96.9 | Very high | 96.8 | Very high | 167 Ų | 167 | 116.5 Ų | 116.5 | 63% | 0.63 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -58.9 | -41.3 | 173.9 | -76.2 | 173.5 | -173 | -176.5 | 2.8 | 111.5 | L341 A342 R349 | L341-R345 WeakPolarHBondContact O-CB 3.31Å; L341-R345 WeakPolarHBondContact O-CG 3.29Å; L341-R345 PolarHBondContact O-N 3.31Å; A342-R345 PolarHBondContact O-N 3.38Å; R345-R349 WeakPolarHBondContact O-CB 3.37Å; R345-R349 VanDerWaalsContact O-CG 3.31Å; R345-R349 WeakPolarHBondContact O-CG 3.4Å; R345-R349 PolarHBondContact O-N 2.93Å |
| 346 | R | 96.6 | Very high | 96.9 | Very high | 190 Ų | 190 | 117.2 Ų | 117.2 | 72% | 0.717 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.4 | -45.4 | 176.7 | -173.5 | 179.3 | 179.6 | -176.5 | 0.2 | 111.4 | A342 S343 E344 R349 M350 | A342-R346 PolarHBondContact O-N 2.9Å; S343-R346 WeakPolarHBondContact O-CB 3.32Å; S343-R346 PolarHBondContact O-N 3.38Å; E344-R346 VanDerWaalsContact C-N 3.3Å; E344-R346 PolarHBondContact O-N 3.01Å; R346-R349 PolarHBondContact O-N 2.9Å; R346-M350 WeakPolarHBondContact O-CG 3.46Å; R346-M350 PolarHBondContact O-N 3.32Å |
| 347 | Q | 97 | Very high | 97 | Very high | 127 Ų | 127 | 116.4 Ų | 116.4 | 59% | 0.593 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.1 | -46.2 | 177.1 | -73 | 176.3 | -8.3 | 0 | 0 | 112 | S343 E344 R349 M350 Q351 | S343-Q347 WeakPolarHBondContact O-CG 3.48Å; S343-Q347 PolarHBondContact O-N 2.92Å; E344-Q347 PolarHBondContact O-N 3.44Å; Q347-R349 VanDerWaalsContact C-N 3.32Å; Q347-R349 PolarHBondContact O-N 2.96Å; Q347-M350 WeakPolarHBondContact O-CB 3.48Å; Q347-M350 PolarHBondContact O-N 3.19Å; Q347-Q351 WeakPolarHBondContact O-CG 3.48Å; Q347-Q351 PolarHBondContact O-N 3.4Å |
| 348 | K | 97.5 | Very high | 96.9 | Very high | 115 Ų | 115 | 114.2 Ų | 114.2 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.8 | -41.1 | 175.9 | -76.3 | 175.8 | 169.9 | 169.3 | 0 | 112 | E344 Q351 V352 | E344-K348 HydrophobicContact CG-CD 4.36Å; E344-K348 WeakPolarHBondContact O-CG 3.43Å; E344-K348 PolarHBondContact O-N 3.25Å; E344-K348 VanDerWaalsContact OE1-CE 3.32Å; E344-K348 WeakPolarHBondContact OE1-CE 3.5Å; E344-K348 IonicContact OE1-NZ 2.65Å; E344-K348 PolarHBondContact OE1-NZ 3.23Å; K348-Q351 PolarHBondContact O-N 3.4Å; K348-V352 VanDerWaalsContact O-CG2 3.29Å; K348-V352 WeakPolarHBondContact O-CG2 3.37Å; K348-V352 PolarHBondContact O-N 2.94Å |
| 349 | R | 96.9 | Very high | 96.9 | Very high | 192 Ų | 192 | 113 Ų | 113 | 73% | 0.725 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.6 | -44.8 | 174.3 | -75.6 | 177.1 | -177.2 | -162.8 | 0.1 | 112.2 | R345 R346 Q347 Q351 V352 E353 | R345-R349 WeakPolarHBondContact O-CB 3.37Å; R345-R349 VanDerWaalsContact O-CG 3.31Å; R345-R349 WeakPolarHBondContact O-CG 3.4Å; R345-R349 PolarHBondContact O-N 2.93Å; R346-R349 PolarHBondContact O-N 2.9Å; Q347-R349 VanDerWaalsContact C-N 3.32Å; Q347-R349 PolarHBondContact O-N 2.96Å; R349-Q351 PolarHBondContact O-N 3.48Å; R349-V352 PolarHBondContact O-N 2.91Å; R349-E353 WeakPolarHBondContact O-CB 3.47Å; R349-E353 PolarHBondContact O-N 3.01Å |
| 350 | M | 96.8 | Very high | 96.9 | Very high | 111 Ų | 111 | 110.8 Ų | 110.8 | 55% | 0.547 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60 | -44.7 | 176.2 | -69.2 | -63.5 | -55.4 | 0 | 0 | 111.7 | R346 Q347 E353 E354 | R346-M350 WeakPolarHBondContact O-CG 3.46Å; R346-M350 PolarHBondContact O-N 3.32Å; Q347-M350 WeakPolarHBondContact O-CB 3.48Å; Q347-M350 PolarHBondContact O-N 3.19Å; M350-E353 PolarHBondContact O-N 3.41Å; M350-E354 WeakPolarHBondContact O-CB 3.3Å; M350-E354 PolarHBondContact O-N 3.14Å |
| 351 | Q | 97 | Very high | 96.9 | Very high | 116 Ų | 116 | 109 Ų | 109 | 54% | 0.542 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 176.6 | -72.8 | 177.7 | -12.1 | 0 | 0 | 112.1 | Q347 K348 R349 E353 E354 N355 | Q347-Q351 WeakPolarHBondContact O-CG 3.48Å; Q347-Q351 PolarHBondContact O-N 3.4Å; K348-Q351 PolarHBondContact O-N 3.4Å; R349-Q351 PolarHBondContact O-N 3.48Å; Q351-E353 VanDerWaalsContact C-N 3.34Å; Q351-E354 PolarHBondContact O-N 3.37Å; Q351-N355 WeakPolarHBondContact O-CB 3.34Å; Q351-N355 PolarHBondContact O-N 3.3Å; Q351-N355 PolarHBondContact O-ND2 3.41Å |
| 352 | V | 97.2 | Very high | 96.9 | Very high | 88 Ų | 88 | 112.5 Ų | 112.5 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 176.2 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | K348 R349 N355 T356 | K348-V352 VanDerWaalsContact O-CG2 3.29Å; K348-V352 WeakPolarHBondContact O-CG2 3.37Å; K348-V352 PolarHBondContact O-N 2.94Å; R349-V352 PolarHBondContact O-N 2.91Å; V352-N355 PolarHBondContact O-N 3.19Å; V352-T356 WeakPolarHBondContact O-CB 3.49Å; V352-T356 PolarHBondContact O-N 2.95Å; V352-T356 PolarHBondContact O-OG1 3.34Å |
| 353 | E | 97.2 | Very high | 96.9 | Very high | 92 Ų | 92 | 114 Ų | 114 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 177.2 | -169.1 | -172.2 | 156.1 | 0 | 0 | 111.8 | R349 M350 Q351 T356 K357 | R349-E353 WeakPolarHBondContact O-CB 3.47Å; R349-E353 PolarHBondContact O-N 3.01Å; M350-E353 PolarHBondContact O-N 3.41Å; Q351-E353 VanDerWaalsContact C-N 3.34Å; E353-T356 PolarHBondContact O-N 3.35Å; E353-K357 WeakPolarHBondContact O-CG 3.35Å; E353-K357 PolarHBondContact O-N 3.46Å; E353-K357 WeakPolarHBondContact OE1-CE 3.26Å; E353-K357 IonicContact OE1-NZ 3.24Å; E353-K357 PolarHBondContact OE1-NZ 3.3Å |
| 354 | E | 96.7 | Very high | 96.9 | Very high | 137 Ų | 137 | 116 Ų | 116 | 64% | 0.64 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.6 | -47.8 | 176.1 | -174.6 | 172.1 | -161.1 | 0 | 0 | 111.8 | M350 Q351 T356 K357 E358 | M350-E354 WeakPolarHBondContact O-CB 3.3Å; M350-E354 PolarHBondContact O-N 3.14Å; Q351-E354 PolarHBondContact O-N 3.37Å; E354-T356 VanDerWaalsContact C-N 3.28Å; E354-T356 PolarHBondContact O-N 3.31Å; E354-K357 PolarHBondContact O-N 2.95Å; E354-E358 PolarHBondContact O-N 2.7Å |
| 355 | N | 96.9 | Very high | 96.9 | Very high | 98 Ų | 98 | 118 Ų | 118 | 52% | 0.524 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.8 | -39.3 | 175.2 | -71.7 | -16.3 | 0 | 0 | 0 | 111.7 | Q351 V352 E358 I359 | Q351-N355 WeakPolarHBondContact O-CB 3.34Å; Q351-N355 PolarHBondContact O-N 3.3Å; Q351-N355 PolarHBondContact O-ND2 3.41Å; V352-N355 PolarHBondContact O-N 3.19Å; N355-E358 PolarHBondContact O-N 3.01Å; N355-I359 VanDerWaalsContact O-CG1 3.26Å; N355-I359 WeakPolarHBondContact O-CG1 3.44Å; N355-I359 PolarHBondContact O-N 2.66Å |
| 356 | T | 97.2 | Very high | 96.9 | Very high | 62 Ų | 62 | 115 Ų | 115 | 38% | 0.38 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 177.9 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | V352 E353 E354 I359 Q360 | V352-T356 WeakPolarHBondContact O-CB 3.49Å; V352-T356 PolarHBondContact O-N 2.95Å; V352-T356 PolarHBondContact O-OG1 3.34Å; E353-T356 PolarHBondContact O-N 3.35Å; E354-T356 VanDerWaalsContact C-N 3.28Å; E354-T356 PolarHBondContact O-N 3.31Å; T356-I359 PolarHBondContact O-N 2.86Å; T356-Q360 VanDerWaalsContact O-CG 3.3Å; T356-Q360 WeakPolarHBondContact O-CG 3.41Å; T356-Q360 PolarHBondContact O-N 2.93Å |
| 357 | K | 97.3 | Very high | 96.9 | Very high | 101 Ų | 101 | 112.9 Ų | 112.9 | 44% | 0.439 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 175.6 | -72.7 | 171.7 | -174.6 | 166.8 | 0 | 111.8 | E353 E354 Q360 R361 | E353-K357 WeakPolarHBondContact O-CG 3.35Å; E353-K357 PolarHBondContact O-N 3.46Å; E353-K357 WeakPolarHBondContact OE1-CE 3.26Å; E353-K357 IonicContact OE1-NZ 3.24Å; E353-K357 PolarHBondContact OE1-NZ 3.3Å; E354-K357 PolarHBondContact O-N 2.95Å; K357-Q360 PolarHBondContact O-N 2.97Å; K357-R361 WeakPolarHBondContact O-CG 3.34Å; K357-R361 PolarHBondContact O-N 3.42Å |
| 358 | E | 96.2 | Very high | 96.9 | Very high | 69 Ų | 69 | 113.5 Ų | 113.5 | 32% | 0.322 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 177.3 | 179.9 | 59 | -163.7 | 0 | 0 | 111.9 | E354 N355 Q360 R361 R362 | E354-E358 PolarHBondContact O-N 2.7Å; N355-E358 PolarHBondContact O-N 3.01Å; E358-Q360 VanDerWaalsContact C-N 3.35Å; E358-Q360 PolarHBondContact O-N 2.88Å; E358-R361 PolarHBondContact O-N 2.89Å; E358-R362 WeakPolarHBondContact O-CG 3.46Å; E358-R362 PolarHBondContact O-N 3.47Å; E358-R362 VanDerWaalsContact O-N 3.07Å; E358-R362 IonicContact OE1-CZ 3.82Å; E358-R362 IonicContact OE1-NE 3.5Å; E358-R362 PolarHBondContact OE1-NE 3.48Å; E358-R362 IonicContact OE1-NH2 3.82Å; E358-R362 PolarHBondContact OE1-NH2 3.35Å |
| 359 | I | 95.9 | Very high | 96.9 | Very high | 94 Ų | 94 | 111 Ų | 111 | 48% | 0.482 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 173.4 | -68.7 | 165.1 | 0 | 0 | 0 | 110.5 | N355 T356 R361 R362 E363 | N355-I359 VanDerWaalsContact O-CG1 3.26Å; N355-I359 WeakPolarHBondContact O-CG1 3.44Å; N355-I359 PolarHBondContact O-N 2.66Å; T356-I359 PolarHBondContact O-N 2.86Å; I359-R361 VanDerWaalsContact C-N 3.31Å; I359-R361 PolarHBondContact O-N 3.42Å; I359-R362 PolarHBondContact O-N 3.12Å; I359-E363 HydrophobicContact CG2-CG 4.43Å; I359-E363 WeakPolarHBondContact O-CG 3.3Å; I359-E363 PolarHBondContact O-N 3.25Å |
| 360 | Q | 97 | Very high | 97 | Very high | 102 Ų | 102 | 104.2 Ų | 104.2 | 48% | 0.477 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.8 | -38.6 | 177.1 | -75.1 | 175.7 | 0.1 | 0 | 0 | 112.6 | T356 K357 E358 E363 Q364 | T356-Q360 VanDerWaalsContact O-CG 3.3Å; T356-Q360 WeakPolarHBondContact O-CG 3.41Å; T356-Q360 PolarHBondContact O-N 2.93Å; K357-Q360 PolarHBondContact O-N 2.97Å; E358-Q360 VanDerWaalsContact C-N 3.35Å; E358-Q360 PolarHBondContact O-N 2.88Å; Q360-E363 PolarHBondContact O-N 3Å; Q360-Q364 VanDerWaalsContact O-CG 3.3Å; Q360-Q364 WeakPolarHBondContact O-CG 3.3Å; Q360-Q364 PolarHBondContact O-N 2.99Å |
| 361 | R | 96.8 | Very high | 97 | Very high | 152 Ų | 152 | 103.9 Ų | 103.9 | 57% | 0.574 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.3 | -48.3 | 175.3 | -74.5 | 175.7 | -179.6 | 170.2 | -1 | 111.6 | K357 E358 I359 E363 Q364 E365 | K357-R361 WeakPolarHBondContact O-CG 3.34Å; K357-R361 PolarHBondContact O-N 3.42Å; E358-R361 PolarHBondContact O-N 2.89Å; I359-R361 VanDerWaalsContact C-N 3.31Å; I359-R361 PolarHBondContact O-N 3.42Å; R361-E363 VanDerWaalsContact C-N 3.32Å; R361-E363 PolarHBondContact O-N 3.48Å; R361-Q364 WeakPolarHBondContact O-CB 3.27Å; R361-Q364 PolarHBondContact O-N 2.98Å; R361-Q364 VanDerWaalsContact O-N 3.12Å; R361-E365 WeakPolarHBondContact O-CG 3.38Å; R361-E365 PolarHBondContact O-N 2.9Å |
| 362 | R | 96.8 | Very high | 97 | Very high | 146 Ų | 146 | 103 Ų | 103 | 55% | 0.551 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.2 | -41.5 | 177.3 | -67.3 | 177.6 | -169.5 | -178.1 | 2.1 | 111.8 | E358 I359 Q364 E365 V366 | E358-R362 WeakPolarHBondContact O-CG 3.46Å; E358-R362 PolarHBondContact O-N 3.47Å; E358-R362 VanDerWaalsContact O-N 3.07Å; E358-R362 IonicContact OE1-CZ 3.82Å; E358-R362 IonicContact OE1-NE 3.5Å; E358-R362 PolarHBondContact OE1-NE 3.48Å; E358-R362 IonicContact OE1-NH2 3.82Å; E358-R362 PolarHBondContact OE1-NH2 3.35Å; I359-R362 PolarHBondContact O-N 3.12Å; R362-Q364 VanDerWaalsContact C-N 3.34Å; R362-Q364 PolarHBondContact O-N 2.93Å; R362-E365 PolarHBondContact O-N 3.26Å; R362-V366 VanDerWaalsContact O-CG2 3.3Å; R362-V366 WeakPolarHBondContact O-CG2 3.42Å; R362-V366 PolarHBondContact O-N 3.39Å |
| 363 | E | 96.1 | Very high | 97.1 | Very high | 89 Ų | 89 | 100.7 Ų | 100.7 | 42% | 0.416 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 173.8 | -75.9 | -175 | -174.3 | 0 | 0 | 112 | I359 Q360 R361 V366 R367 | I359-E363 HydrophobicContact CG2-CG 4.43Å; I359-E363 WeakPolarHBondContact O-CG 3.3Å; I359-E363 PolarHBondContact O-N 3.25Å; Q360-E363 PolarHBondContact O-N 3Å; R361-E363 VanDerWaalsContact C-N 3.32Å; R361-E363 PolarHBondContact O-N 3.48Å; E363-V366 PolarHBondContact O-N 3.37Å; E363-R367 WeakPolarHBondContact O-CB 3.46Å; E363-R367 VanDerWaalsContact O-CG 3.27Å; E363-R367 WeakPolarHBondContact O-CG 3.4Å; E363-R367 PolarHBondContact O-N 3.23Å; E363-R367 IonicContact OE2-NH2 3.81Å; E363-R367 PolarHBondContact OE2-NH2 3.07Å; E363-R367 VanDerWaalsContact OE2-NH2 3.14Å |
| 364 | Q | 97.3 | Very high | 97.1 | Very high | 103 Ų | 103 | 101.1 Ų | 101.1 | 48% | 0.481 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 176.4 | -74.8 | 177.5 | 7.6 | 0 | 0 | 112.3 | Q360 R361 R362 R367 K368 | Q360-Q364 VanDerWaalsContact O-CG 3.3Å; Q360-Q364 WeakPolarHBondContact O-CG 3.3Å; Q360-Q364 PolarHBondContact O-N 2.99Å; R361-Q364 WeakPolarHBondContact O-CB 3.27Å; R361-Q364 PolarHBondContact O-N 2.98Å; R361-Q364 VanDerWaalsContact O-N 3.12Å; R362-Q364 VanDerWaalsContact C-N 3.34Å; R362-Q364 PolarHBondContact O-N 2.93Å; Q364-R367 PolarHBondContact O-N 2.87Å; Q364-K368 WeakPolarHBondContact O-CG 3.45Å; Q364-K368 PolarHBondContact O-N 2.91Å |
| 365 | E | 96.7 | Very high | 97.1 | Very high | 128 Ų | 128 | 101.9 Ų | 101.9 | 60% | 0.598 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.1 | -46.1 | 175 | -72.5 | 170.2 | -175.5 | 0 | 0 | 111.4 | R361 R362 R367 K368 A369 | R361-E365 WeakPolarHBondContact O-CG 3.38Å; R361-E365 PolarHBondContact O-N 2.9Å; R362-E365 PolarHBondContact O-N 3.26Å; E365-R367 VanDerWaalsContact C-N 3.34Å; E365-R367 PolarHBondContact O-N 3.3Å; E365-K368 PolarHBondContact O-N 3.37Å; E365-A369 WeakPolarHBondContact O-CB 3.36Å; E365-A369 PolarHBondContact O-N 3.47Å |
| 366 | V | 97.4 | Very high | 97.1 | Very high | 103 Ų | 103 | 102.8 Ų | 102.8 | 62% | 0.624 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.4 | -42.6 | 175.3 | 172.6 | 0 | 0 | 0 | 0 | 111 | R362 E363 A369 A370 | R362-V366 VanDerWaalsContact O-CG2 3.3Å; R362-V366 WeakPolarHBondContact O-CG2 3.42Å; R362-V366 PolarHBondContact O-N 3.39Å; E363-V366 PolarHBondContact O-N 3.37Å; V366-A369 PolarHBondContact O-N 2.93Å; V366-A370 WeakPolarHBondContact O-CB 3.42Å; V366-A370 PolarHBondContact O-N 3.39Å |
| 367 | R | 97.1 | Very high | 97.1 | Very high | 146 Ų | 146 | 106.3 Ų | 106.3 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.5 | -48.6 | 175 | -75.8 | 176.8 | -167.5 | 153 | 14.7 | 111.5 | E363 Q364 E365 A369 A370 E371 | E363-R367 WeakPolarHBondContact O-CB 3.46Å; E363-R367 VanDerWaalsContact O-CG 3.27Å; E363-R367 WeakPolarHBondContact O-CG 3.4Å; E363-R367 PolarHBondContact O-N 3.23Å; E363-R367 IonicContact OE2-NH2 3.81Å; E363-R367 PolarHBondContact OE2-NH2 3.07Å; E363-R367 VanDerWaalsContact OE2-NH2 3.14Å; Q364-R367 PolarHBondContact O-N 2.87Å; E365-R367 VanDerWaalsContact C-N 3.34Å; E365-R367 PolarHBondContact O-N 3.3Å; R367-A369 PolarHBondContact O-N 3.31Å; R367-A370 PolarHBondContact O-N 2.93Å; R367-E371 WeakPolarHBondContact O-CG 3.48Å; R367-E371 PolarHBondContact O-N 3.29Å |
| 368 | K | 97.5 | Very high | 97.1 | Very high | 140 Ų | 140 | 105.5 Ų | 105.5 | 61% | 0.609 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.4 | -41.1 | 177.6 | -73 | 174.7 | -178 | 177.6 | 0 | 112.4 | Q364 E365 E371 L372 | Q364-K368 WeakPolarHBondContact O-CG 3.45Å; Q364-K368 PolarHBondContact O-N 2.91Å; E365-K368 PolarHBondContact O-N 3.37Å; K368-E371 PolarHBondContact O-N 2.97Å; K368-L372 PolarHBondContact O-N 2.92Å |
| 369 | A | 97.7 | Very high | 97.2 | Very high | 61 Ų | 61 | 106.8 Ų | 106.8 | 50% | 0.504 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E365 V366 R367 L372 A373 | E365-A369 WeakPolarHBondContact O-CB 3.36Å; E365-A369 PolarHBondContact O-N 3.47Å; V366-A369 PolarHBondContact O-N 2.93Å; R367-A369 PolarHBondContact O-N 3.31Å; A369-L372 PolarHBondContact O-N 2.91Å; A369-A373 WeakPolarHBondContact O-CB 3.4Å; A369-A373 PolarHBondContact O-N 3.4Å |
| 370 | A | 97.8 | Very high | 97.3 | Very high | 51 Ų | 51 | 107.3 Ų | 107.3 | 42% | 0.421 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | V366 R367 L372 A373 L374 | V366-A370 WeakPolarHBondContact O-CB 3.42Å; V366-A370 PolarHBondContact O-N 3.39Å; R367-A370 PolarHBondContact O-N 2.93Å; A370-L372 PolarHBondContact O-N 3.46Å; A370-A373 PolarHBondContact O-N 2.87Å; A370-L374 WeakPolarHBondContact O-CG 3.33Å; A370-L374 PolarHBondContact O-N 3.12Å |
| 371 | E | 97.7 | Very high | 97.3 | Very high | 104 Ų | 104 | 106.6 Ų | 106.6 | 49% | 0.486 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 174.6 | -75.7 | 175.3 | -164.5 | 0 | 0 | 112.1 | R367 K368 L374 R375 | R367-E371 WeakPolarHBondContact O-CG 3.48Å; R367-E371 PolarHBondContact O-N 3.29Å; K368-E371 PolarHBondContact O-N 2.97Å; E371-L374 PolarHBondContact O-N 3.1Å; E371-R375 WeakPolarHBondContact O-CG 3.38Å; E371-R375 PolarHBondContact O-N 3.46Å |
| 372 | L | 97.5 | Very high | 97.3 | Very high | 96 Ų | 96 | 107.5 Ų | 107.5 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 176.6 | -175.1 | 68.9 | 0 | 0 | 0 | 111.5 | K368 A369 A370 L374 R375 Q376 | K368-L372 PolarHBondContact O-N 2.92Å; A369-L372 PolarHBondContact O-N 2.91Å; A370-L372 PolarHBondContact O-N 3.46Å; L372-L374 VanDerWaalsContact C-N 3.33Å; L372-L374 PolarHBondContact O-N 3.34Å; L372-R375 PolarHBondContact O-N 3.39Å; L372-Q376 WeakPolarHBondContact O-CG 3.44Å; L372-Q376 PolarHBondContact O-N 3.47Å |
| 373 | A | 97.6 | Very high | 97.3 | Very high | 40 Ų | 40 | 107.4 Ų | 107.4 | 33% | 0.331 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.8 | -37.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A369 A370 K377 | A369-A373 WeakPolarHBondContact O-CB 3.4Å; A369-A373 PolarHBondContact O-N 3.4Å; A370-A373 PolarHBondContact O-N 2.87Å; A373-K377 WeakPolarHBondContact O-CG 3.47Å; A373-K377 PolarHBondContact O-N 3.31Å; A373-K377 VanDerWaalsContact O-N 3.12Å |
| 374 | L | 97.1 | Very high | 97.3 | Very high | 101 Ų | 101 | 106.5 Ų | 106.5 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -46.8 | 173.1 | -74.2 | 173.2 | 0 | 0 | 0 | 111.2 | A370 E371 L372 Q376 K377 D378 | A370-L374 WeakPolarHBondContact O-CG 3.33Å; A370-L374 PolarHBondContact O-N 3.12Å; E371-L374 PolarHBondContact O-N 3.1Å; L372-L374 VanDerWaalsContact C-N 3.33Å; L372-L374 PolarHBondContact O-N 3.34Å; L374-Q376 VanDerWaalsContact C-N 3.32Å; L374-Q376 PolarHBondContact O-N 3.27Å; L374-K377 WeakPolarHBondContact O-CB 3.4Å; L374-K377 PolarHBondContact O-N 2.99Å; L374-K377 VanDerWaalsContact O-N 3.1Å; L374-D378 PolarHBondContact O-N 2.97Å |
| 375 | R | 97.3 | Very high | 97.3 | Very high | 153 Ų | 153 | 105.5 Ų | 105.5 | 58% | 0.577 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -57.5 | -43.1 | 176.3 | -75.2 | -175.4 | -178.6 | 133.2 | 5.8 | 112.7 | E371 L372 K377 D378 E379 | E371-R375 WeakPolarHBondContact O-CG 3.38Å; E371-R375 PolarHBondContact O-N 3.46Å; L372-R375 PolarHBondContact O-N 3.39Å; R375-K377 VanDerWaalsContact C-N 3.34Å; R375-K377 PolarHBondContact O-N 3Å; R375-D378 PolarHBondContact O-N 2.94Å; R375-E379 WeakPolarHBondContact O-CB 3.4Å; R375-E379 WeakPolarHBondContact O-CG 3.27Å; R375-E379 PolarHBondContact O-N 3.12Å |
| 376 | Q | 97.4 | Very high | 97.3 | Very high | 117 Ų | 117 | 105.2 Ų | 105.2 | 55% | 0.547 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 176.6 | -72.5 | 176 | -13.3 | 0 | 0 | 112.3 | L372 L374 H380 | L372-Q376 WeakPolarHBondContact O-CG 3.44Å; L372-Q376 PolarHBondContact O-N 3.47Å; L374-Q376 VanDerWaalsContact C-N 3.32Å; L374-Q376 PolarHBondContact O-N 3.27Å; Q376-H380 WeakPolarHBondContact O-CB 3.49Å; Q376-H380 PolarHBondContact O-N 3.49Å |
| 377 | K | 97.9 | Very high | 97.3 | Very high | 137 Ų | 137 | 104.6 Ų | 104.6 | 60% | 0.596 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.1 | -43.6 | 175 | -73.2 | 176.5 | -179.2 | 177.7 | 0 | 111.5 | A373 L374 R375 H380 I381 | A373-K377 WeakPolarHBondContact O-CG 3.47Å; A373-K377 PolarHBondContact O-N 3.31Å; A373-K377 VanDerWaalsContact O-N 3.12Å; L374-K377 WeakPolarHBondContact O-CB 3.4Å; L374-K377 PolarHBondContact O-N 2.99Å; L374-K377 VanDerWaalsContact O-N 3.1Å; R375-K377 VanDerWaalsContact C-N 3.34Å; R375-K377 PolarHBondContact O-N 3Å; K377-H380 WeakPolarHBondContact O-CB 3.38Å; K377-H380 PolarHBondContact O-N 3.32Å; K377-I381 VanDerWaalsContact O-CG1 3.27Å; K377-I381 WeakPolarHBondContact O-CG1 3.33Å; K377-I381 PolarHBondContact O-N 3.35Å |
| 378 | D | 97.7 | Very high | 97.3 | Very high | 84 Ų | 84 | 104.1 Ų | 104.1 | 45% | 0.449 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 178 | -70.2 | -16.9 | 0 | 0 | 0 | 111.5 | L374 R375 H380 I381 R382 | L374-D378 PolarHBondContact O-N 2.97Å; R375-D378 PolarHBondContact O-N 2.94Å; D378-H380 VanDerWaalsContact C-N 3.34Å; D378-H380 PolarHBondContact O-N 2.91Å; D378-I381 PolarHBondContact O-N 2.99Å; D378-R382 WeakPolarHBondContact O-CG 3.46Å; D378-R382 PolarHBondContact O-N 2.98Å |
| 379 | E | 97.3 | Very high | 97.3 | Very high | 96 Ų | 96 | 103.2 Ų | 103.2 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 172.5 | -76.7 | 178 | -160.2 | 0 | 0 | 112.1 | R375 R382 R383 | R375-E379 WeakPolarHBondContact O-CB 3.4Å; R375-E379 WeakPolarHBondContact O-CG 3.27Å; R375-E379 PolarHBondContact O-N 3.12Å; E379-R382 PolarHBondContact O-N 3Å; E379-R383 WeakPolarHBondContact O-CG 3.34Å; E379-R383 PolarHBondContact O-N 3.22Å; E379-R383 IonicContact OE2-NH2 3.76Å; E379-R383 PolarHBondContact OE2-NH2 3.49Å; E379-R383 VanDerWaalsContact OE2-NH2 3.1Å |
| 380 | H | 97.5 | Very high | 97.3 | Very high | 105 Ų | 105 | 102.6 Ų | 102.6 | 49% | 0.486 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 176.3 | -178.4 | 60.1 | 0 | 0 | 0 | 111.8 | Q376 K377 D378 R382 R383 L384 | Q376-H380 WeakPolarHBondContact O-CB 3.49Å; Q376-H380 PolarHBondContact O-N 3.49Å; K377-H380 WeakPolarHBondContact O-CB 3.38Å; K377-H380 PolarHBondContact O-N 3.32Å; D378-H380 VanDerWaalsContact C-N 3.34Å; D378-H380 PolarHBondContact O-N 2.91Å; H380-R382 VanDerWaalsContact C-N 3.34Å; H380-R382 PolarHBondContact O-N 3.1Å; H380-R383 PolarHBondContact O-N 3.32Å; H380-L384 WeakPolarHBondContact O-CG 3.46Å; H380-L384 PolarHBondContact O-N 2.87Å |
| 381 | I | 97.2 | Very high | 97.2 | Very high | 87 Ų | 87 | 107.1 Ų | 107.1 | 45% | 0.446 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61 | -44.1 | 175.2 | -68.8 | 164.1 | 0 | 0 | 0 | 110.5 | K377 D378 R383 L384 I385 | K377-I381 VanDerWaalsContact O-CG1 3.27Å; K377-I381 WeakPolarHBondContact O-CG1 3.33Å; K377-I381 PolarHBondContact O-N 3.35Å; D378-I381 PolarHBondContact O-N 2.99Å; I381-R383 PolarHBondContact O-N 3.49Å; I381-L384 WeakPolarHBondContact O-CB 3.38Å; I381-L384 PolarHBondContact O-N 3.2Å; I381-I385 HydrophobicContact CG2-CD1 3.87Å; I381-I385 HydrophobicContact CG2-CG1 4.45Å; I381-I385 WeakPolarHBondContact O-CG1 3.48Å; I381-I385 PolarHBondContact O-N 3.12Å |
| 382 | R | 97.2 | Very high | 97.1 | Very high | 170 Ų | 170 | 106.2 Ų | 106.2 | 64% | 0.642 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.5 | -48.1 | 176.3 | -73 | 176.5 | -170.4 | -158.7 | 2.6 | 112 | D378 E379 H380 L384 I385 E386 | D378-R382 WeakPolarHBondContact O-CG 3.46Å; D378-R382 PolarHBondContact O-N 2.98Å; E379-R382 PolarHBondContact O-N 3Å; H380-R382 VanDerWaalsContact C-N 3.34Å; H380-R382 PolarHBondContact O-N 3.1Å; R382-L384 VanDerWaalsContact C-N 3.3Å; R382-L384 PolarHBondContact O-N 2.92Å; R382-I385 PolarHBondContact O-N 3.18Å; R382-I385 VanDerWaalsContact O-N 3.12Å; R382-E386 WeakPolarHBondContact O-CG 3.47Å; R382-E386 PolarHBondContact O-N 2.88Å |
| 383 | R | 96.6 | Very high | 97.1 | Very high | 145 Ų | 145 | 105.9 Ų | 105.9 | 55% | 0.547 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.6 | -40.3 | 176.4 | -67.5 | 177.1 | -151.3 | 152.5 | 9.3 | 112.1 | E379 H380 I381 I385 E386 E387 | E379-R383 WeakPolarHBondContact O-CG 3.34Å; E379-R383 PolarHBondContact O-N 3.22Å; E379-R383 IonicContact OE2-NH2 3.76Å; E379-R383 PolarHBondContact OE2-NH2 3.49Å; E379-R383 VanDerWaalsContact OE2-NH2 3.1Å; H380-R383 PolarHBondContact O-N 3.32Å; I381-R383 PolarHBondContact O-N 3.49Å; R383-I385 VanDerWaalsContact C-N 3.35Å; R383-E386 PolarHBondContact O-N 3.46Å; R383-E387 WeakPolarHBondContact O-CB 3.26Å; R383-E387 PolarHBondContact O-N 2.84Å |
| 384 | L | 96.8 | Very high | 97.1 | Very high | 69 Ų | 69 | 110.3 Ų | 110.3 | 36% | 0.361 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -36.6 | 176.1 | -76.3 | 173.8 | 0 | 0 | 0 | 112.6 | H380 I381 R382 K388 | H380-L384 WeakPolarHBondContact O-CG 3.46Å; H380-L384 PolarHBondContact O-N 2.87Å; I381-L384 WeakPolarHBondContact O-CB 3.38Å; I381-L384 PolarHBondContact O-N 3.2Å; R382-L384 VanDerWaalsContact C-N 3.3Å; R382-L384 PolarHBondContact O-N 2.92Å; L384-K388 WeakPolarHBondContact O-CB 3.5Å; L384-K388 VanDerWaalsContact O-CG 3.25Å; L384-K388 WeakPolarHBondContact O-CG 3.49Å; L384-K388 PolarHBondContact O-N 3.26Å |
| 385 | I | 96.9 | Very high | 97.1 | Very high | 82 Ų | 82 | 109.2 Ų | 109.2 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.3 | -50.2 | 174.9 | -68.4 | 166.4 | 0 | 0 | 0 | 109.6 | I381 R382 R383 E387 K388 E389 | I381-I385 HydrophobicContact CG2-CD1 3.87Å; I381-I385 HydrophobicContact CG2-CG1 4.45Å; I381-I385 WeakPolarHBondContact O-CG1 3.48Å; I381-I385 PolarHBondContact O-N 3.12Å; R382-I385 PolarHBondContact O-N 3.18Å; R382-I385 VanDerWaalsContact O-N 3.12Å; R383-I385 VanDerWaalsContact C-N 3.35Å; I385-E387 VanDerWaalsContact C-N 3.33Å; I385-E387 PolarHBondContact O-N 3.31Å; I385-K388 WeakPolarHBondContact O-CB 3.31Å; I385-K388 PolarHBondContact O-N 2.9Å; I385-K388 VanDerWaalsContact O-N 3.15Å; I385-E389 HydrophobicContact CG2-CG 4.34Å; I385-E389 WeakPolarHBondContact CG2-OE1 3.47Å; I385-E389 WeakPolarHBondContact O-CB 3.43Å; I385-E389 WeakPolarHBondContact O-CG 3.44Å; I385-E389 PolarHBondContact O-N 3.36Å |
| 386 | E | 96.8 | Very high | 97.1 | Very high | 123 Ų | 123 | 109 Ų | 109 | 58% | 0.575 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.1 | -43.1 | 177.9 | -71.2 | 167.8 | -171.4 | 0 | 0 | 111.9 | R382 R383 E389 A390 | R382-E386 WeakPolarHBondContact O-CG 3.47Å; R382-E386 PolarHBondContact O-N 2.88Å; R383-E386 PolarHBondContact O-N 3.46Å; E386-E389 PolarHBondContact O-N 2.81Å; E386-A390 VanDerWaalsContact O-CB 3.27Å; E386-A390 WeakPolarHBondContact O-CB 3.37Å; E386-A390 PolarHBondContact O-N 2.8Å |
| 387 | E | 96.6 | Very high | 97 | Very high | 90 Ų | 90 | 107.6 Ų | 107.6 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 176.6 | -174.3 | -179.6 | -171.4 | 0 | 0 | 111.9 | R383 I385 A390 R391 | R383-E387 WeakPolarHBondContact O-CB 3.26Å; R383-E387 PolarHBondContact O-N 2.84Å; I385-E387 VanDerWaalsContact C-N 3.33Å; I385-E387 PolarHBondContact O-N 3.31Å; E387-A390 PolarHBondContact O-N 3.31Å; E387-R391 WeakPolarHBondContact O-CG 3.43Å; E387-R391 PolarHBondContact O-N 3.4Å; E387-R391 IonicContact OE1-CZ 3.07Å; E387-R391 IonicContact OE1-NE 2.68Å; E387-R391 IonicContact OE1-NH2 3.82Å; E387-R391 PolarHBondContact OE1-NH2 3.32Å |
| 388 | K | 97.6 | Very high | 97 | Very high | 136 Ų | 136 | 107.1 Ų | 107.1 | 59% | 0.591 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.6 | -45.4 | 174.8 | -79.4 | 177.5 | 177.8 | -177.7 | 0 | 111.2 | L384 I385 R391 I392 | L384-K388 WeakPolarHBondContact O-CB 3.5Å; L384-K388 VanDerWaalsContact O-CG 3.25Å; L384-K388 WeakPolarHBondContact O-CG 3.49Å; L384-K388 PolarHBondContact O-N 3.26Å; I385-K388 WeakPolarHBondContact O-CB 3.31Å; I385-K388 PolarHBondContact O-N 2.9Å; I385-K388 VanDerWaalsContact O-N 3.15Å; K388-R391 PolarHBondContact O-N 3.48Å; K388-I392 WeakPolarHBondContact O-CB 3.25Å; K388-I392 VanDerWaalsContact O-CG1 3.22Å; K388-I392 WeakPolarHBondContact O-CG1 3.48Å; K388-I392 PolarHBondContact O-N 2.88Å |
| 389 | E | 97.3 | Very high | 96.9 | Very high | 120 Ų | 120 | 105.7 Ų | 105.7 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.4 | -42.8 | 176.7 | -73.9 | 177.3 | 179.2 | 0 | 0 | 111.4 | I385 E386 R391 I392 Q393 | I385-E389 HydrophobicContact CG2-CG 4.34Å; I385-E389 WeakPolarHBondContact CG2-OE1 3.47Å; I385-E389 WeakPolarHBondContact O-CB 3.43Å; I385-E389 WeakPolarHBondContact O-CG 3.44Å; I385-E389 PolarHBondContact O-N 3.36Å; E386-E389 PolarHBondContact O-N 2.81Å; E389-R391 PolarHBondContact O-N 3.28Å; E389-I392 PolarHBondContact O-N 2.83Å; E389-Q393 WeakPolarHBondContact O-CB 3.22Å; E389-Q393 PolarHBondContact O-N 3.33Å |
| 390 | A | 97 | Very high | 96.8 | Very high | 49 Ų | 49 | 105.6 Ų | 105.6 | 41% | 0.405 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -43.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E386 E387 Q393 Q394 | E386-A390 VanDerWaalsContact O-CB 3.27Å; E386-A390 WeakPolarHBondContact O-CB 3.37Å; E386-A390 PolarHBondContact O-N 2.8Å; E387-A390 PolarHBondContact O-N 3.31Å; A390-Q393 PolarHBondContact O-N 3.15Å; A390-Q394 WeakPolarHBondContact O-CG 3.34Å; A390-Q394 PolarHBondContact O-N 3.41Å |
| 391 | R | 96.9 | Very high | 96.8 | Very high | 146 Ų | 146 | 103.3 Ų | 103.3 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.5 | -41.7 | 175.3 | -73 | 178.8 | -170.3 | 177.6 | 2.1 | 112.2 | E387 K388 E389 Q393 Q394 S395 | E387-R391 WeakPolarHBondContact O-CG 3.43Å; E387-R391 PolarHBondContact O-N 3.4Å; E387-R391 IonicContact OE1-CZ 3.07Å; E387-R391 IonicContact OE1-NE 2.68Å; E387-R391 IonicContact OE1-NH2 3.82Å; E387-R391 PolarHBondContact OE1-NH2 3.32Å; K388-R391 PolarHBondContact O-N 3.48Å; E389-R391 PolarHBondContact O-N 3.28Å; R391-Q393 VanDerWaalsContact C-N 3.26Å; R391-Q393 PolarHBondContact O-N 3.06Å; R391-Q394 PolarHBondContact O-N 3.28Å; R391-S395 WeakPolarHBondContact O-CB 3.48Å; R391-S395 PolarHBondContact O-N 2.9Å |
| 392 | I | 96.3 | Very high | 96.7 | Very high | 85 Ų | 85 | 100.8 Ų | 100.8 | 44% | 0.436 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 173.3 | -70.3 | 164.8 | 0 | 0 | 0 | 109.5 | K388 E389 S395 R396 | K388-I392 WeakPolarHBondContact O-CB 3.25Å; K388-I392 VanDerWaalsContact O-CG1 3.22Å; K388-I392 WeakPolarHBondContact O-CG1 3.48Å; K388-I392 PolarHBondContact O-N 2.88Å; E389-I392 PolarHBondContact O-N 2.83Å; I392-S395 PolarHBondContact O-N 3.36Å; I392-R396 HydrophobicContact CG2-CG 4.49Å; I392-R396 WeakPolarHBondContact O-CG 3.19Å; I392-R396 PolarHBondContact O-N 3.4Å |
| 393 | Q | 97 | Very high | 96.4 | Very high | 88 Ų | 88 | 96.7 Ų | 96.7 | 41% | 0.411 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.6 | -38.9 | 179.3 | -161 | 63.8 | 14.5 | 0 | 0 | 112.4 | E389 A390 R391 R396 N397 | E389-Q393 WeakPolarHBondContact O-CB 3.22Å; E389-Q393 PolarHBondContact O-N 3.33Å; A390-Q393 PolarHBondContact O-N 3.15Å; R391-Q393 VanDerWaalsContact C-N 3.26Å; R391-Q393 PolarHBondContact O-N 3.06Å; Q393-R396 PolarHBondContact O-N 2.84Å; Q393-N397 WeakPolarHBondContact O-CB 3.37Å; Q393-N397 PolarHBondContact O-N 2.8Å; Q393-N397 PolarHBondContact O-ND2 3.03Å; Q393-N397 PolarHBondContact O-OD1 2.92Å |
| 394 | Q | 96.6 | Very high | 96.3 | Very high | 133 Ų | 133 | 93.4 Ų | 93.4 | 62% | 0.621 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.8 | -44.6 | 171.3 | -74.5 | 173.5 | -2.6 | 0 | 0 | 111.5 | A390 R391 N397 L398 | A390-Q394 WeakPolarHBondContact O-CG 3.34Å; A390-Q394 PolarHBondContact O-N 3.41Å; R391-Q394 PolarHBondContact O-N 3.28Å; Q394-N397 PolarHBondContact O-N 2.83Å; Q394-L398 WeakPolarHBondContact O-CB 3.28Å; Q394-L398 PolarHBondContact O-N 3.38Å |
| 395 | S | 96.8 | Very high | 96 | Very high | 79 Ų | 79 | 95.6 Ų | 95.6 | 55% | 0.552 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.8 | -43.3 | 176 | 178.3 | 0 | 0 | 0 | 0 | 111.8 | R391 I392 L398 A399 | R391-S395 WeakPolarHBondContact O-CB 3.48Å; R391-S395 PolarHBondContact O-N 2.9Å; I392-S395 PolarHBondContact O-N 3.36Å; S395-L398 PolarHBondContact O-N 3.45Å; S395-A399 WeakPolarHBondContact O-CB 3.39Å; S395-A399 PolarHBondContact O-N 2.87Å |
| 396 | R | 97.1 | Very high | 95.6 | Very high | 149 Ų | 149 | 98.8 Ų | 98.8 | 56% | 0.562 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.6 | -46.8 | 173.2 | -73.8 | 171.5 | 175.9 | 169.7 | -1.8 | 111.9 | I392 Q393 L398 A399 L400 | I392-R396 HydrophobicContact CG2-CG 4.49Å; I392-R396 WeakPolarHBondContact O-CG 3.19Å; I392-R396 PolarHBondContact O-N 3.4Å; Q393-R396 PolarHBondContact O-N 2.84Å; R396-L398 VanDerWaalsContact C-N 3.35Å; R396-L398 PolarHBondContact O-N 3.49Å; R396-A399 WeakPolarHBondContact O-CB 3.33Å; R396-A399 PolarHBondContact O-N 3.46Å; R396-L400 WeakPolarHBondContact O-CG 3.35Å; R396-L400 PolarHBondContact O-N 2.81Å |
| 397 | N | 97.1 | Very high | 95.2 | Very high | 87 Ų | 87 | 98.4 Ų | 98.4 | 47% | 0.465 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 178.8 | -69.1 | -11 | 0 | 0 | 0 | 112 | Q393 Q394 L400 A401 | Q393-N397 WeakPolarHBondContact O-CB 3.37Å; Q393-N397 PolarHBondContact O-N 2.8Å; Q393-N397 PolarHBondContact O-ND2 3.03Å; Q393-N397 PolarHBondContact O-OD1 2.92Å; Q394-N397 PolarHBondContact O-N 2.83Å; N397-L400 PolarHBondContact O-N 3.25Å; N397-A401 WeakPolarHBondContact O-CB 3.46Å; N397-A401 PolarHBondContact O-N 2.82Å |
| 398 | L | 96.5 | Very high | 94.9 | Very high | 127 Ų | 127 | 98 Ų | 98 | 67% | 0.665 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.5 | -41.9 | 175.1 | -176.5 | 68.2 | 0 | 0 | 0 | 111.3 | Q394 S395 R396 A401 A402 | Q394-L398 WeakPolarHBondContact O-CB 3.28Å; Q394-L398 PolarHBondContact O-N 3.38Å; S395-L398 PolarHBondContact O-N 3.45Å; R396-L398 VanDerWaalsContact C-N 3.35Å; R396-L398 PolarHBondContact O-N 3.49Å; L398-A401 PolarHBondContact O-N 3.43Å; L398-A402 VanDerWaalsContact O-CB 3.3Å; L398-A402 WeakPolarHBondContact O-CB 3.36Å; L398-A402 PolarHBondContact O-N 2.85Å |
| 399 | A | 95.8 | Very high | 94.3 | Very high | 54 Ų | 54 | 96 Ų | 96 | 45% | 0.446 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S395 R396 A402 E403 | S395-A399 WeakPolarHBondContact O-CB 3.39Å; S395-A399 PolarHBondContact O-N 2.87Å; R396-A399 WeakPolarHBondContact O-CB 3.33Å; R396-A399 PolarHBondContact O-N 3.46Å; A399-A402 PolarHBondContact O-N 3.47Å; A399-E403 WeakPolarHBondContact O-CB 3.32Å; A399-E403 PolarHBondContact O-N 2.88Å |
| 400 | L | 96.2 | Very high | 93.7 | Very high | 93 Ų | 93 | 92.9 Ų | 92.9 | 49% | 0.487 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.9 | -45.4 | 174.1 | -71.9 | 172.8 | 0 | 0 | 0 | 112 | R396 N397 A402 E403 C404 | R396-L400 WeakPolarHBondContact O-CG 3.35Å; R396-L400 PolarHBondContact O-N 2.81Å; N397-L400 PolarHBondContact O-N 3.25Å; L400-A402 VanDerWaalsContact C-N 3.31Å; L400-A402 PolarHBondContact O-N 3.32Å; L400-E403 WeakPolarHBondContact O-CB 3.33Å; L400-E403 PolarHBondContact O-N 3.42Å; L400-E403 VanDerWaalsContact O-N 3.16Å; L400-C404 PolarHBondContact O-N 2.91Å; L400-C404 PolarHBondContact O-SG 3.36Å |
| 401 | A | 96 | Very high | 93 | Very high | 58 Ų | 58 | 98.8 Ų | 98.8 | 48% | 0.479 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N397 L398 L405 | N397-A401 WeakPolarHBondContact O-CB 3.46Å; N397-A401 PolarHBondContact O-N 2.82Å; L398-A401 PolarHBondContact O-N 3.43Å; A401-L405 WeakPolarHBondContact O-CB 3.24Å; A401-L405 PolarHBondContact O-N 2.63Å |
| 402 | A | 95.3 | Very high | 92.5 | Very high | 33 Ų | 33 | 95.9 Ų | 95.9 | 27% | 0.273 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.3 | -35.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L398 A399 L400 R406 | L398-A402 VanDerWaalsContact O-CB 3.3Å; L398-A402 WeakPolarHBondContact O-CB 3.36Å; L398-A402 PolarHBondContact O-N 2.85Å; A399-A402 PolarHBondContact O-N 3.47Å; L400-A402 VanDerWaalsContact C-N 3.31Å; L400-A402 PolarHBondContact O-N 3.32Å; A402-R406 WeakPolarHBondContact O-CB 3.12Å; A402-R406 VanDerWaalsContact O-CG 3.3Å; A402-R406 WeakPolarHBondContact O-CG 3.26Å; A402-R406 PolarHBondContact O-N 2.82Å |
| 403 | E | 91.5 | Very high | 91.8 | Very high | 85 Ų | 85 | 99 Ų | 99 | 40% | 0.397 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -52.1 | 172.4 | -179.2 | 177.3 | -155.7 | 0 | 0 | 111.4 | A399 L400 L405 R406 E407 | A399-E403 WeakPolarHBondContact O-CB 3.32Å; A399-E403 PolarHBondContact O-N 2.88Å; L400-E403 WeakPolarHBondContact O-CB 3.33Å; L400-E403 PolarHBondContact O-N 3.42Å; L400-E403 VanDerWaalsContact O-N 3.16Å; E403-L405 VanDerWaalsContact C-N 3.27Å; E403-L405 PolarHBondContact O-N 2.92Å; E403-R406 WeakPolarHBondContact O-CA 3.38Å; E403-R406 WeakPolarHBondContact O-CB 3.35Å; E403-R406 PolarHBondContact O-N 2.79Å; E403-E407 WeakPolarHBondContact O-CG 3.27Å; E403-E407 PolarHBondContact O-N 3.32Å |
| 404 | C | 93.5 | Very high | 90.8 | Very high | 76 Ų | 76 | 101.9 Ų | 101.9 | 51% | 0.514 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.2 | -40.7 | 176.2 | -64.6 | 0 | 0 | 0 | 0 | 112.1 | L400 E407 E408 | L400-C404 PolarHBondContact O-N 2.91Å; L400-C404 PolarHBondContact O-SG 3.36Å; C404-E407 PolarHBondContact O-N 3.36Å; C404-E408 WeakPolarHBondContact O-CB 3.47Å; C404-E408 PolarHBondContact O-N 2.94Å |
| 405 | L | 91.9 | Very high | 89.8 | Confident | 114 Ų | 114 | 99.7 Ų | 99.7 | 60% | 0.597 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64 | -42.5 | 175.4 | -176.7 | 67 | 0 | 0 | 0 | 111.7 | A401 E403 E408 M409 | A401-L405 WeakPolarHBondContact O-CB 3.24Å; A401-L405 PolarHBondContact O-N 2.63Å; E403-L405 VanDerWaalsContact C-N 3.27Å; E403-L405 PolarHBondContact O-N 2.92Å; L405-E408 PolarHBondContact O-N 3.45Å; L405-M409 WeakPolarHBondContact O-CG 3.43Å; L405-M409 PolarHBondContact O-N 3.5Å |
| 406 | R | 88.4 | Confident | 89 | Confident | 150 Ų | 150 | 99 Ų | 99 | 57% | 0.566 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.8 | -45.8 | 175.3 | -77 | -174.8 | -63.7 | -102.4 | 0.9 | 111.1 | A402 E403 M409 L410 | A402-R406 WeakPolarHBondContact O-CB 3.12Å; A402-R406 VanDerWaalsContact O-CG 3.3Å; A402-R406 WeakPolarHBondContact O-CG 3.26Å; A402-R406 PolarHBondContact O-N 2.82Å; E403-R406 WeakPolarHBondContact O-CA 3.38Å; E403-R406 WeakPolarHBondContact O-CB 3.35Å; E403-R406 PolarHBondContact O-N 2.79Å; R406-M409 PolarHBondContact O-N 3.13Å; R406-L410 VanDerWaalsContact O-CG 3.3Å; R406-L410 WeakPolarHBondContact O-CG 3.4Å; R406-L410 PolarHBondContact O-N 2.84Å |
| 407 | E | 87.1 | Confident | 88.2 | Confident | 114 Ų | 114 | 93.8 Ų | 93.8 | 53% | 0.533 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 176.7 | -69.8 | -175.1 | 155.7 | 0 | 0 | 112.3 | E403 C404 L410 R411 | E403-E407 WeakPolarHBondContact O-CG 3.27Å; E403-E407 PolarHBondContact O-N 3.32Å; C404-E407 PolarHBondContact O-N 3.36Å; E407-L410 WeakPolarHBondContact O-CB 3.42Å; E407-L410 PolarHBondContact O-N 2.89Å; E407-R411 WeakPolarHBondContact O-CB 3.4Å; E407-R411 PolarHBondContact O-N 3.24Å |
| 408 | E | 90.2 | Very high | 87.3 | Confident | 83 Ų | 83 | 97 Ų | 97 | 39% | 0.388 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 175.5 | -170.5 | 66.9 | -149.2 | 0 | 0 | 111.2 | C404 L405 R411 V412 | C404-E408 WeakPolarHBondContact O-CB 3.47Å; C404-E408 PolarHBondContact O-N 2.94Å; L405-E408 PolarHBondContact O-N 3.45Å; E408-R411 WeakPolarHBondContact O-CB 3.49Å; E408-R411 PolarHBondContact O-N 3.31Å; E408-R411 IonicContact OE1-CZ 3.47Å; E408-R411 IonicContact OE1-NE 3.52Å; E408-R411 IonicContact OE1-NH2 2.69Å; E408-R411 PolarHBondContact OE1-NH2 3.22Å; E408-R411 IonicContact OE2-CZ 3.8Å; E408-R411 IonicContact OE2-NE 3.36Å; E408-R411 IonicContact OE2-NH2 3.54Å; E408-V412 HydrophobicContact CG-CG2 4.42Å; E408-V412 WeakPolarHBondContact O-CG2 3.39Å; E408-V412 PolarHBondContact O-N 2.85Å |
| 409 | M | 85.3 | Confident | 86.7 | Confident | 93 Ų | 93 | 95.8 Ų | 95.8 | 46% | 0.458 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 174.7 | -69.6 | -156.6 | 95.9 | 0 | 0 | 112.4 | L405 R406 R411 V412 Y413 | L405-M409 WeakPolarHBondContact O-CG 3.43Å; L405-M409 PolarHBondContact O-N 3.5Å; R406-M409 PolarHBondContact O-N 3.13Å; M409-R411 VanDerWaalsContact C-N 3.28Å; M409-R411 PolarHBondContact O-N 3.43Å; M409-V412 PolarHBondContact O-N 2.89Å; M409-Y413 HydrophobicContact CE-CD2 4.16Å; M409-Y413 HydrophobicContact CE-CE2 3.62Å; M409-Y413 WeakPolarHBondContact O-CB 3.45Å; M409-Y413 WeakPolarHBondContact O-CD2 3.23Å; M409-Y413 PolarHBondContact O-N 3.44Å |
| 410 | L | 84.6 | Confident | 86.2 | Confident | 54 Ų | 54 | 99.3 Ų | 99.3 | 28% | 0.283 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.8 | -41.2 | 173.7 | -70.1 | 171.1 | 0 | 0 | 0 | 110.9 | R406 E407 N414 L415 | R406-L410 VanDerWaalsContact O-CG 3.3Å; R406-L410 WeakPolarHBondContact O-CG 3.4Å; R406-L410 PolarHBondContact O-N 2.84Å; E407-L410 WeakPolarHBondContact O-CB 3.42Å; E407-L410 PolarHBondContact O-N 2.89Å; L410-N414 PolarHBondContact O-N 3.46Å; L410-L415 HydrophobicContact CD2-CB 3.83Å; L410-L415 WeakPolarHBondContact CD2-O 3.36Å; L410-L415 PolarHBondContact O-N 3.34Å |
| 411 | R | 83.4 | Confident | 85.5 | Confident | 173 Ų | 173 | 99.8 Ų | 99.8 | 65% | 0.653 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.2 | -45.1 | 178.6 | -166.6 | -175.2 | 73.8 | 146.7 | 1.1 | 113.2 | E407 E408 M409 | E407-R411 WeakPolarHBondContact O-CB 3.4Å; E407-R411 PolarHBondContact O-N 3.24Å; E408-R411 WeakPolarHBondContact O-CB 3.49Å; E408-R411 PolarHBondContact O-N 3.31Å; E408-R411 IonicContact OE1-CZ 3.47Å; E408-R411 IonicContact OE1-NE 3.52Å; E408-R411 IonicContact OE1-NH2 2.69Å; E408-R411 PolarHBondContact OE1-NH2 3.22Å; E408-R411 IonicContact OE2-CZ 3.8Å; E408-R411 IonicContact OE2-NE 3.36Å; E408-R411 IonicContact OE2-NH2 3.54Å; M409-R411 VanDerWaalsContact C-N 3.28Å; M409-R411 PolarHBondContact O-N 3.43Å |
| 412 | V | 86.2 | Confident | 85.1 | Confident | 86 Ų | 86 | 100 Ų | 100 | 52% | 0.521 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -73.1 | -40.6 | -175.7 | 171 | 0 | 0 | 0 | 0 | 112.2 | E408 M409 | E408-V412 HydrophobicContact CG-CG2 4.42Å; E408-V412 WeakPolarHBondContact O-CG2 3.39Å; E408-V412 PolarHBondContact O-N 2.85Å; M409-V412 PolarHBondContact O-N 2.89Å |
| 413 | Y | 82.4 | Confident | 84.6 | Confident | 150 Ų | 150 | 104.2 Ų | 104.2 | 59% | 0.588 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 6.4 | -175.4 | -69 | -82.8 | 0 | 0 | 0 | 113.9 | M409 L415 | M409-Y413 HydrophobicContact CE-CD2 4.16Å; M409-Y413 HydrophobicContact CE-CE2 3.62Å; M409-Y413 WeakPolarHBondContact O-CB 3.45Å; M409-Y413 WeakPolarHBondContact O-CD2 3.23Å; M409-Y413 PolarHBondContact O-N 3.44Å; Y413-L415 PolarHBondContact O-N 2.88Å; Y413-L415 VanDerWaalsContact O-N 3.17Å |
| 414 | N | 74.7 | Confident | 84.1 | Confident | 148 Ų | 148 | 105.7 Ų | 105.7 | 79% | 0.791 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 38.9 | -173.9 | -66.8 | -43.2 | 0 | 0 | 0 | 112.6 | L410 | L410-N414 PolarHBondContact O-N 3.46Š|
| 415 | L | 76.6 | Confident | 83.4 | Confident | 88 Ų | 88 | 105.9 Ų | 105.9 | 46% | 0.461 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -82.9 | 133.3 | 179 | -66 | 169.1 | 0 | 0 | 0 | 108.7 | L410 Y413 S417 | L410-L415 HydrophobicContact CD2-CB 3.83Å; L410-L415 WeakPolarHBondContact CD2-O 3.36Å; L410-L415 PolarHBondContact O-N 3.34Å; Y413-L415 PolarHBondContact O-N 2.88Å; Y413-L415 VanDerWaalsContact O-N 3.17Å; L415-S417 PolarHBondContact O-N 2.82Å |
| 416 | D | 78.4 | Confident | 83 | Confident | 65 Ų | 65 | 103.5 Ų | 103.5 | 35% | 0.348 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 131.3 | 171.7 | -76 | -32 | 0 | 0 | 0 | 109.7 | K420 K421 K424 | D416-K420 HydrophobicContact CB-CB 4.23Å; D416-K421 HydrophobicContact CB-CD 4.35Å; D416-K421 HydrophobicContact CB-CG 3.52Å; D416-K421 WeakPolarHBondContact O-CE 3.33Å; D416-K424 IonicContact OD2-NZ 3.42Å |
| 417 | S | 80.8 | Confident | 82.6 | Confident | 39 Ų | 39 | 100.9 Ų | 100.9 | 27% | 0.273 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -52.6 | 149.4 | 169.1 | 175.7 | 0 | 0 | 0 | 0 | 109.8 | L415 D419 K420 K421 | L415-S417 PolarHBondContact O-N 2.82Å; S417-D419 PolarHBondContact O-N 3.46Å; S417-K420 CarbonylContact O-C 3.56Å; S417-K420 WeakPolarHBondContact O-CA 3.4Å; S417-K420 WeakPolarHBondContact O-CB 3.33Å; S417-K420 PolarHBondContact O-N 3.39Å; S417-K421 PolarHBondContact O-N 3.31Å |
| 418 | F | 79.4 | Confident | 82 | Confident | 153 Ų | 153 | 98.6 Ų | 98.6 | 67% | 0.671 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -52 | -44.5 | 177.9 | -179.3 | -99.8 | 0 | 0 | 0 | 111.2 | K420 K421 V422 | F418-K420 VanDerWaalsContact C-N 3.31Å; F418-K420 PolarHBondContact O-N 2.94Å; F418-K421 PolarHBondContact O-N 3.02Å; F418-K421 VanDerWaalsContact O-N 3.13Å; F418-V422 HydrophobicContact CD1-CG2 3.89Å; F418-V422 HydrophobicContact CD2-CG2 4.49Å; F418-V422 HydrophobicContact CE1-CG2 3.49Å; F418-V422 VanDerWaalsContact CE1-CG2 3.49Å; F418-V422 HydrophobicContact CE2-CG2 4.15Å; F418-V422 HydrophobicContact CG-CG2 4.38Å; F418-V422 HydrophobicContact CZ-CG2 3.63Å; F418-V422 WeakPolarHBondContact O-CB 3.42Å; F418-V422 VanDerWaalsContact O-CG2 3.31Å; F418-V422 WeakPolarHBondContact O-CG2 3.3Å; F418-V422 PolarHBondContact O-N 3.29Å |
| 419 | D | 83.6 | Confident | 81.3 | Confident | 103 Ų | 103 | 99.5 Ų | 99.5 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.2 | -36.6 | 177.5 | -63.7 | -27.7 | 0 | 0 | 0 | 112.5 | S417 V422 Q423 | S417-D419 PolarHBondContact O-N 3.46Å; D419-V422 PolarHBondContact O-N 3.36Å; D419-Q423 WeakPolarHBondContact O-CB 3.3Å; D419-Q423 VanDerWaalsContact O-CG 3.24Å; D419-Q423 WeakPolarHBondContact O-CG 3.49Å; D419-Q423 PolarHBondContact O-N 2.88Å |
| 420 | K | 83.8 | Confident | 81 | Confident | 128 Ų | 128 | 101.9 Ų | 101.9 | 56% | 0.557 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.4 | -40.4 | 174 | -73.3 | -174.3 | 178 | -179.1 | 0 | 111.7 | D416 S417 F418 Q423 K424 | D416-K420 HydrophobicContact CB-CB 4.23Å; S417-K420 CarbonylContact O-C 3.56Å; S417-K420 WeakPolarHBondContact O-CA 3.4Å; S417-K420 WeakPolarHBondContact O-CB 3.33Å; S417-K420 PolarHBondContact O-N 3.39Å; F418-K420 VanDerWaalsContact C-N 3.31Å; F418-K420 PolarHBondContact O-N 2.94Å; K420-Q423 PolarHBondContact O-N 3.41Å; K420-K424 VanDerWaalsContact O-CB 3.23Å; K420-K424 WeakPolarHBondContact O-CB 3.47Å; K420-K424 PolarHBondContact O-N 2.99Å |
| 421 | K | 83.3 | Confident | 80.1 | Confident | 103 Ų | 103 | 105.8 Ų | 105.8 | 45% | 0.448 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 174.4 | -71.7 | -175.3 | -179 | 176 | 0 | 111 | D416 S417 F418 K424 V425 | D416-K421 HydrophobicContact CB-CD 4.35Å; D416-K421 HydrophobicContact CB-CG 3.52Å; D416-K421 WeakPolarHBondContact O-CE 3.33Å; S417-K421 PolarHBondContact O-N 3.31Å; F418-K421 PolarHBondContact O-N 3.02Å; F418-K421 VanDerWaalsContact O-N 3.13Å; K421-K424 PolarHBondContact O-N 2.99Å; K421-V425 WeakPolarHBondContact O-CB 3.47Å; K421-V425 VanDerWaalsContact O-CG2 3.26Å; K421-V425 WeakPolarHBondContact O-CG2 3.3Å; K421-V425 PolarHBondContact O-N 3.37Å |
| 422 | V | 85.9 | Confident | 79.1 | Confident | 62 Ų | 62 | 100.6 Ų | 100.6 | 38% | 0.376 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60 | -54.1 | 174.5 | 170.6 | 0 | 0 | 0 | 0 | 109.3 | F418 D419 K424 V425 T426 | F418-V422 HydrophobicContact CD1-CG2 3.89Å; F418-V422 HydrophobicContact CD2-CG2 4.49Å; F418-V422 HydrophobicContact CE1-CG2 3.49Å; F418-V422 VanDerWaalsContact CE1-CG2 3.49Å; F418-V422 HydrophobicContact CE2-CG2 4.15Å; F418-V422 HydrophobicContact CG-CG2 4.38Å; F418-V422 HydrophobicContact CZ-CG2 3.63Å; F418-V422 WeakPolarHBondContact O-CB 3.42Å; F418-V422 VanDerWaalsContact O-CG2 3.31Å; F418-V422 WeakPolarHBondContact O-CG2 3.3Å; F418-V422 PolarHBondContact O-N 3.29Å; D419-V422 PolarHBondContact O-N 3.36Å; V422-K424 VanDerWaalsContact C-N 3.29Å; V422-K424 PolarHBondContact O-N 2.85Å; V422-V425 CarbonylContact O-C 3.57Å; V422-V425 WeakPolarHBondContact O-CB 3.34Å; V422-V425 PolarHBondContact O-N 3.16Å; V422-T426 PolarHBondContact O-N 3.4Å; V422-T426 PolarHBondContact O-OG1 3.32Å |
| 423 | Q | 85.2 | Confident | 77.9 | Confident | 122 Ų | 122 | 102.6 Ų | 102.6 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -55.2 | -42.5 | 176 | -75 | 173 | 17.1 | 0 | 0 | 112.3 | D419 K420 T426 L427 | D419-Q423 WeakPolarHBondContact O-CB 3.3Å; D419-Q423 VanDerWaalsContact O-CG 3.24Å; D419-Q423 WeakPolarHBondContact O-CG 3.49Å; D419-Q423 PolarHBondContact O-N 2.88Å; K420-Q423 PolarHBondContact O-N 3.41Å; Q423-T426 PolarHBondContact O-N 2.86Å; Q423-L427 WeakPolarHBondContact O-CB 3.48Å; Q423-L427 WeakPolarHBondContact O-CD1 3.41Å; Q423-L427 PolarHBondContact O-N 3.17Å |
| 424 | K | 81.4 | Confident | 76.4 | Confident | 116 Ų | 116 | 101.6 Ų | 101.6 | 50% | 0.504 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 176.8 | -170.5 | 177.1 | -175.2 | 175.8 | 0 | 111.8 | D416 K420 K421 V422 L427 I428 | D416-K424 IonicContact OD2-NZ 3.42Å; K420-K424 VanDerWaalsContact O-CB 3.23Å; K420-K424 WeakPolarHBondContact O-CB 3.47Å; K420-K424 PolarHBondContact O-N 2.99Å; K421-K424 PolarHBondContact O-N 2.99Å; V422-K424 VanDerWaalsContact C-N 3.29Å; V422-K424 PolarHBondContact O-N 2.85Å; K424-L427 PolarHBondContact O-N 3.17Å; K424-I428 HydrophobicContact CG-CD1 3.99Å; K424-I428 WeakPolarHBondContact O-CB 3.5Å; K424-I428 WeakPolarHBondContact O-CD1 3.37Å; K424-I428 WeakPolarHBondContact O-CG1 3.5Å; K424-I428 PolarHBondContact O-N 3.06Å |
| 425 | V | 79.1 | Confident | 75.2 | Confident | 79 Ų | 79 | 98 Ų | 98 | 48% | 0.479 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 173.7 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | K421 V422 I428 N429 | K421-V425 WeakPolarHBondContact O-CB 3.47Å; K421-V425 VanDerWaalsContact O-CG2 3.26Å; K421-V425 WeakPolarHBondContact O-CG2 3.3Å; K421-V425 PolarHBondContact O-N 3.37Å; V422-V425 CarbonylContact O-C 3.57Å; V422-V425 WeakPolarHBondContact O-CB 3.34Å; V422-V425 PolarHBondContact O-N 3.16Å; V425-I428 PolarHBondContact O-N 2.85Å; V425-N429 WeakPolarHBondContact O-CB 3.49Å; V425-N429 VanDerWaalsContact O-CG 3.26Å; V425-N429 PolarHBondContact O-N 3.44Å; V425-N429 PolarHBondContact O-ND2 2.95Å |
| 426 | T | 83.2 | Confident | 73.7 | Confident | 64 Ų | 64 | 103.5 Ų | 103.5 | 39% | 0.393 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 174.8 | -37.5 | 0 | 0 | 0 | 0 | 110.6 | V422 Q423 N429 E430 | V422-T426 PolarHBondContact O-N 3.4Å; V422-T426 PolarHBondContact O-OG1 3.32Å; Q423-T426 PolarHBondContact O-N 2.86Å; T426-N429 WeakPolarHBondContact O-CB 3.47Å; T426-N429 PolarHBondContact O-N 3.27Å; T426-E430 WeakPolarHBondContact O-CB 3.43Å; T426-E430 VanDerWaalsContact O-CG 3.26Å; T426-E430 WeakPolarHBondContact O-CG 3.36Å; T426-E430 PolarHBondContact O-N 3.41Å |
| 427 | L | 79.9 | Confident | 71.7 | Confident | 96 Ų | 96 | 113.4 Ų | 113.4 | 50% | 0.503 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.3 | -41.5 | 175.3 | -91.8 | 145.1 | 0 | 0 | 0 | 112.9 | Q423 K424 N429 E430 M431 | Q423-L427 WeakPolarHBondContact O-CB 3.48Å; Q423-L427 WeakPolarHBondContact O-CD1 3.41Å; Q423-L427 PolarHBondContact O-N 3.17Å; K424-L427 PolarHBondContact O-N 3.17Å; L427-N429 VanDerWaalsContact C-N 3.33Å; L427-E430 PolarHBondContact O-N 3.29Å; L427-M431 VanDerWaalsContact O-CB 3.28Å; L427-M431 WeakPolarHBondContact O-CB 3.33Å; L427-M431 WeakPolarHBondContact O-CG 3.34Å; L427-M431 PolarHBondContact O-N 2.86Å |
| 428 | I | 75.3 | Confident | 71.2 | Confident | 66 Ų | 66 | 117.1 Ų | 117.1 | 34% | 0.338 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.1 | -42.4 | 175.7 | -73.4 | 163.8 | 0 | 0 | 0 | 110.4 | K424 V425 M431 G432 | K424-I428 HydrophobicContact CG-CD1 3.99Å; K424-I428 WeakPolarHBondContact O-CB 3.5Å; K424-I428 WeakPolarHBondContact O-CD1 3.37Å; K424-I428 WeakPolarHBondContact O-CG1 3.5Å; K424-I428 PolarHBondContact O-N 3.06Å; V425-I428 PolarHBondContact O-N 2.85Å; I428-M431 PolarHBondContact O-N 3.5Å; I428-G432 PolarHBondContact O-N 3.22Å |
| 429 | N | 75.5 | Confident | 70.8 | Confident | 102 Ų | 102 | 115.2 Ų | 115.2 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.7 | -38.6 | 175.4 | -74.5 | -20.6 | 0 | 0 | 0 | 111.9 | V425 T426 L427 | V425-N429 WeakPolarHBondContact O-CB 3.49Å; V425-N429 VanDerWaalsContact O-CG 3.26Å; V425-N429 PolarHBondContact O-N 3.44Å; V425-N429 PolarHBondContact O-ND2 2.95Å; T426-N429 WeakPolarHBondContact O-CB 3.47Å; T426-N429 PolarHBondContact O-N 3.27Å; L427-N429 VanDerWaalsContact C-N 3.33Å |
| 430 | E | 78.2 | Confident | 70.1 | Confident | 143 Ų | 143 | 115.9 Ų | 115.9 | 67% | 0.668 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.3 | -34.9 | 177.2 | -74.7 | 170.3 | -173.4 | 0 | 0 | 112.9 | T426 L427 G432 | T426-E430 WeakPolarHBondContact O-CB 3.43Å; T426-E430 VanDerWaalsContact O-CG 3.26Å; T426-E430 WeakPolarHBondContact O-CG 3.36Å; T426-E430 PolarHBondContact O-N 3.41Å; L427-E430 PolarHBondContact O-N 3.29Å; E430-G432 VanDerWaalsContact C-N 3.35Å |
| 431 | M | 66.1 | Low | 69.3 | Low | 136 Ų | 136 | 115.2 Ų | 115.2 | 67% | 0.67 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 0.6 | -177.9 | -68 | -85.8 | -78.3 | 0 | 0 | 113.8 | L427 I428 L433 | L427-M431 VanDerWaalsContact O-CB 3.28Å; L427-M431 WeakPolarHBondContact O-CB 3.33Å; L427-M431 WeakPolarHBondContact O-CG 3.34Å; L427-M431 PolarHBondContact O-N 2.86Å; I428-M431 PolarHBondContact O-N 3.5Å; M431-L433 HydrophobicContact CB-CD1 4.44Å; M431-L433 HydrophobicContact CB-CG 4.48Å; M431-L433 PolarHBondContact O-N 2.88Å |
| 432 | G | 62.4 | Low | 68.4 | Low | 64 Ų | 64 | 115.9 Ų | 115.9 | 66% | 0.66 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.8 | 17.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | I428 E430 N434 | I428-G432 PolarHBondContact O-N 3.22Å; E430-G432 VanDerWaalsContact C-N 3.35Å; G432-N434 VanDerWaalsContact C-N 3.3Å; G432-N434 PolarHBondContact O-N 2.93Å; G432-N434 VanDerWaalsContact O-N 3.12Å |
| 433 | L | 60 | Low | 67.2 | Low | 127 Ų | 127 | 119.5 Ų | 119.5 | 67% | 0.665 | 64% | 0.639 | S | S | * | * | trans | -88.5 | 58 | -177.8 | -68.8 | 172.3 | 0 | 0 | 0 | 111.9 | M431 G435 | M431-L433 HydrophobicContact CB-CD1 4.44Å; M431-L433 HydrophobicContact CB-CG 4.48Å; M431-L433 PolarHBondContact O-N 2.88Å; L433-G435 PolarHBondContact O-N 2.69Å | ||
| 434 | N | 52.5 | Low | 65.9 | Low | 129 Ų | 129 | 119.4 Ų | 119.4 | 69% | 0.69 | 64% | 0.644 | S | S | * | * | trans | -97.1 | 73.5 | 168.3 | -81.8 | -12.6 | 0 | 0 | 0 | 110 | G432 | G432-N434 VanDerWaalsContact C-N 3.3Å; G432-N434 PolarHBondContact O-N 2.93Å; G432-N434 VanDerWaalsContact O-N 3.12Å | ||
| 435 | G | 49.8 | Very low | 64.7 | Low | 72 Ų | 72 | 119.6 Ų | 119.6 | 74% | 0.742 | 66% | 0.655 | S | S | * | * | trans | -103.6 | 90 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L433 | L433-G435 PolarHBondContact O-N 2.69Š| ||
| 436 | K | 44.4 | Very low | 63.6 | Low | 204 Ų | 204 | 123 Ų | 123 | 89% | 0.887 | 67% | 0.67 | S | S | * | * | trans | 33.2 | 101.7 | 149.6 | -62 | 179.9 | 179.3 | 179.2 | 0 | 118.3 | ||||
| 437 | Q | 35.4 | Very low | 61.8 | Low | 273 Ų | 273 | 128.4 Ų | 128.4 | 100% | 1.276 | 70% | 0.695 | S | S | * | * | -162.3 | 0 | 121.6 | -106 | 179 | 11.8 | 0 | 0 | 110.4 |
Retrieved 437 of 437 residues in 132.8 ms
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