| 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 | 36.3 | Very low | 67.6 | Low | 243 Ų | 243 | 109.8 Ų | 109.8 | 100% | 1.197 | 60% | 0.604 | S | S | * | * | 0 | 80.5 | 0 | -69.4 | -175.7 | -90.6 | 0 | 0 | 107.7 | Q3 | M1-Q3 PolarHBondContact O-N 3.14Š| |||
| 2 | A | 45.7 | Very low | 69.5 | Low | 104 Ų | 104 | 104.3 Ų | 104.3 | 86% | 0.86 | 57% | 0.573 | S | S | * | * | trans | -74.9 | 108.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | S4 | A2-S4 PolarHBondContact O-N 3.5Š| ||
| 3 | Q | 49.2 | Very low | 71.2 | Confident | 179 Ų | 179 | 102.5 Ų | 102.5 | 84% | 0.836 | 57% | 0.569 | S | S | * | * | trans | -57.6 | 114.1 | 172.6 | -74.3 | 172.8 | -19.6 | 0 | 0 | 106.7 | M1 I5 | M1-Q3 PolarHBondContact O-N 3.14Å; Q3-I5 VanDerWaalsContact C-N 3.32Å; Q3-I5 PolarHBondContact O-N 3.46Å | ||
| 4 | S | 59.5 | Low | 72.8 | Confident | 114 Ų | 114 | 101.4 Ų | 101.4 | 80% | 0.797 | 56% | 0.558 | S | S | * | * | trans | -57.4 | 101.1 | 169.2 | 48.5 | 0 | 0 | 0 | 0 | 106.7 | A2 N6 | A2-S4 PolarHBondContact O-N 3.5Å; S4-N6 PolarHBondContact O-N 3.41Å | ||
| 5 | I | 63.5 | Low | 74.1 | Confident | 113 Ų | 113 | 94.7 Ų | 94.7 | 58% | 0.579 | 52% | 0.521 | S | S | * | . | trans | -62.9 | 113.9 | 178.2 | -61.5 | 174.8 | 0 | 0 | 0 | 106.1 | Q3 I7 L10 | Q3-I5 VanDerWaalsContact C-N 3.32Å; Q3-I5 PolarHBondContact O-N 3.46Å; I5-I7 PolarHBondContact O-N 2.9Å; I5-L10 HydrophobicContact CG2-CD1 3.94Å; I5-L10 HydrophobicContact CG2-CD2 4.29Å; I5-L10 HydrophobicContact CG2-CG 4.36Å | ||
| 6 | N | 77 | Confident | 75.4 | Confident | 81 Ų | 81 | 95.5 Ų | 95.5 | 43% | 0.433 | 52% | 0.52 | S | S | . | . | trans | -75.9 | 99.1 | 179.7 | -161.3 | -2 | 0 | 0 | 0 | 108.7 | S4 T8 E9 | S4-N6 PolarHBondContact O-N 3.41Å; N6-T8 PolarHBondContact O-N 3.05Å; N6-T8 PolarHBondContact OD1-OG1 3.19Å; N6-E9 HydrophobicContact CB-CG 4.39Å; N6-E9 PolarHBondContact ND2-OE1 3.23Å; N6-E9 PolarHBondContact O-N 3.39Å; N6-E9 VanDerWaalsContact O-N 3.09Å | ||
| 7 | I | 76.9 | Confident | 76.5 | Confident | 46 Ų | 46 | 98.1 Ų | 98.1 | 24% | 0.236 | 53% | 0.53 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -20.1 | -175 | 58.9 | 175 | 0 | 0 | 0 | 113.3 | I5 E9 L18 A130 V131 M134 | I5-I7 PolarHBondContact O-N 2.9Å; I7-E9 VanDerWaalsContact C-N 3.32Å; I7-E9 PolarHBondContact O-N 3.08Å; I7-L18 HydrophobicContact CG2-CD2 4.3Å; I7-A130 HydrophobicContact CD1-CB 3.87Å; I7-V131 HydrophobicContact CG2-CG2 4.23Å; I7-M134 HydrophobicContact CB-CG 4.44Å; I7-M134 HydrophobicContact CD1-CG 3.67Å; I7-M134 HydrophobicContact CG1-CG 3.97Å |
| 8 | T | 77.7 | Confident | 77.5 | Confident | 73 Ų | 73 | 94.2 Ų | 94.2 | 45% | 0.448 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -30.6 | 178.4 | 55.8 | 0 | 0 | 0 | 0 | 113 | N6 M134 K138 | N6-T8 PolarHBondContact O-N 3.05Å; N6-T8 PolarHBondContact OD1-OG1 3.19Å; T8-M134 HydrophobicContact CG2-CE 4.08Å; T8-M134 HydrophobicContact CG2-SD 4.26Å; T8-K138 PolarHBondContact O-NZ 3.42Å |
| 9 | E | 83.8 | Confident | 78.4 | Confident | 148 Ų | 148 | 92.2 Ų | 92.2 | 69% | 0.692 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -16.2 | -175.7 | -66.5 | 171.1 | -150.6 | 0 | 0 | 112.8 | N6 I7 | N6-E9 HydrophobicContact CB-CG 4.39Å; N6-E9 PolarHBondContact ND2-OE1 3.23Å; N6-E9 PolarHBondContact O-N 3.39Å; N6-E9 VanDerWaalsContact O-N 3.09Å; I7-E9 VanDerWaalsContact C-N 3.32Å; I7-E9 PolarHBondContact O-N 3.08Å |
| 10 | L | 84 | Confident | 79.4 | Confident | 28 Ų | 28 | 91.4 Ų | 91.4 | 15% | 0.147 | 49% | 0.49 | C | S | . | . | trans | -72.3 | 144.6 | -178.4 | -61.5 | 179.6 | 0 | 0 | 0 | 112.1 | I5 Q14 L15 L18 K138 | I5-L10 HydrophobicContact CG2-CD1 3.94Å; I5-L10 HydrophobicContact CG2-CD2 4.29Å; I5-L10 HydrophobicContact CG2-CG 4.36Å; L10-Q14 HydrophobicContact CB-CB 4.08Å; L10-Q14 HydrophobicContact CD2-CB 4.16Å; L10-L15 HydrophobicContact CB-CD2 3.87Å; L10-L15 HydrophobicContact CB-CG 3.87Å; L10-L15 HydrophobicContact CD1-CD2 3.92Å; L10-L18 HydrophobicContact CD1-CD2 3.92Å; L10-K138 WeakPolarHBondContact O-CE 3.33Å; L10-K138 PolarHBondContact O-NZ 2.74Å | ||
| 11 | N | 89.5 | Confident | 80.2 | Confident | 79 Ų | 79 | 91.8 Ų | 91.8 | 42% | 0.422 | 49% | 0.489 | S | S | . | . | trans | -83.9 | 171.4 | 170.5 | 66.4 | 33.1 | 0 | 0 | 0 | 111.6 | P13 Q14 L15 | N11-P13 VanDerWaalsContact OD1-CD 3.32Å; N11-P13 WeakPolarHBondContact OD1-CD 3.45Å; N11-Q14 PolarHBondContact O-N 3.19Å; N11-Q14 WeakPolarHBondContact OD1-CB 3.44Å; N11-Q14 WeakPolarHBondContact OD1-CG 3.48Å; N11-Q14 PolarHBondContact OD1-N 3.04Å; N11-Q14 PolarHBondContact OD1-OE1 3.47Å; N11-L15 WeakPolarHBondContact O-CG 3.35Å; N11-L15 PolarHBondContact O-N 3.17Å | ||
| 12 | L | 90.8 | Very high | 83 | Confident | 43 Ų | 43 | 80.4 Ų | 80.4 | 23% | 0.225 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -57.2 | -48.7 | -176.6 | -83.7 | 169.8 | 0 | 0 | 0 | 113.9 | Q14 L15 E16 M135 K138 I139 L142 | L12-Q14 VanDerWaalsContact C-N 3.31Å; L12-Q14 PolarHBondContact O-N 3.39Å; L12-L15 PolarHBondContact O-N 2.99Å; L12-E16 PolarHBondContact O-N 2.99Å; L12-M135 HydrophobicContact CD2-CB 4.38Å; L12-M135 HydrophobicContact CD2-CG 4.49Å; L12-K138 HydrophobicContact CD2-CB 4.08Å; L12-K138 HydrophobicContact CG-CB 4.19Å; L12-I139 HydrophobicContact CD1-CG1 4.17Å; L12-I139 HydrophobicContact CD2-CD1 4.37Å; L12-I139 HydrophobicContact CD2-CG1 3.88Å; L12-L142 HydrophobicContact CD1-CD1 3.4Å; L12-L142 VanDerWaalsContact CD1-CD1 3.4Å |
| 13 | P | 92.3 | Very high | 85.5 | Confident | 81 Ų | 81 | 77.2 Ų | 77.2 | 53% | 0.526 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -57.5 | -40.3 | 175.5 | -27.5 | 34.3 | 0 | 0 | 0 | 113.8 | N11 E16 M17 | N11-P13 VanDerWaalsContact OD1-CD 3.32Å; N11-P13 WeakPolarHBondContact OD1-CD 3.45Å; P13-E16 PolarHBondContact O-N 3Å; P13-M17 WeakPolarHBondContact O-CG 3.24Å; P13-M17 PolarHBondContact O-N 3.33Å |
| 14 | Q | 92.6 | Very high | 87.8 | Confident | 88 Ų | 88 | 75.2 Ų | 75.2 | 41% | 0.411 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 177.3 | -73.2 | 169 | -28.1 | 0 | 0 | 112.2 | L10 N11 L12 E16 M17 L18 | L10-Q14 HydrophobicContact CB-CB 4.08Å; L10-Q14 HydrophobicContact CD2-CB 4.16Å; N11-Q14 PolarHBondContact O-N 3.19Å; N11-Q14 WeakPolarHBondContact OD1-CB 3.44Å; N11-Q14 WeakPolarHBondContact OD1-CG 3.48Å; N11-Q14 PolarHBondContact OD1-N 3.04Å; N11-Q14 PolarHBondContact OD1-OE1 3.47Å; L12-Q14 VanDerWaalsContact C-N 3.31Å; L12-Q14 PolarHBondContact O-N 3.39Å; Q14-E16 VanDerWaalsContact C-N 3.35Å; Q14-M17 PolarHBondContact O-N 3.42Å; Q14-L18 WeakPolarHBondContact O-CB 3.4Å; Q14-L18 PolarHBondContact O-N 3.41Å |
| 15 | L | 93.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.1 | -38 | 175.7 | -70.5 | 169.9 | 0 | 0 | 0 | 111.8 | L10 N11 L12 L18 K19 V131 M134 M135 K138 | L10-L15 HydrophobicContact CB-CD2 3.87Å; L10-L15 HydrophobicContact CB-CG 3.87Å; L10-L15 HydrophobicContact CD1-CD2 3.92Å; N11-L15 WeakPolarHBondContact O-CG 3.35Å; N11-L15 PolarHBondContact O-N 3.17Å; L12-L15 PolarHBondContact O-N 2.99Å; L15-L18 PolarHBondContact O-N 2.99Å; L15-K19 WeakPolarHBondContact O-CB 3.41Å; L15-K19 PolarHBondContact O-N 3.41Å; L15-V131 HydrophobicContact CB-CG1 4.33Å; L15-V131 HydrophobicContact CD2-CG1 4.12Å; L15-V131 WeakPolarHBondContact O-CG1 2.96Å; L15-M134 HydrophobicContact CD1-CB 4.3Å; L15-M134 HydrophobicContact CD2-CB 4.45Å; L15-M135 HydrophobicContact CB-CG 3.46Å; L15-M135 VanDerWaalsContact CB-CG 3.46Å; L15-M135 HydrophobicContact CB-SD 4.03Å; L15-M135 HydrophobicContact CD1-CG 3.86Å; L15-M135 HydrophobicContact CG-CG 4.23Å; L15-K138 HydrophobicContact CD1-CD 3.73Å |
| 16 | E | 94 | Very high | 91.2 | Very high | 108 Ų | 108 | 67.6 Ų | 67.6 | 51% | 0.505 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 176.3 | -172.8 | 172.5 | -167.5 | 0 | 0 | 111.8 | L12 P13 Q14 K19 N20 M135 | L12-E16 PolarHBondContact O-N 2.99Å; P13-E16 PolarHBondContact O-N 3Å; Q14-E16 VanDerWaalsContact C-N 3.35Å; E16-K19 PolarHBondContact O-N 2.99Å; E16-N20 VanDerWaalsContact O-CG 3.29Å; E16-N20 PolarHBondContact O-N 3.35Å; E16-N20 PolarHBondContact O-ND2 2.98Å; E16-M135 HydrophobicContact CB-CE 3.92Å; E16-M135 HydrophobicContact CG-CE 4.4Å |
| 17 | M | 94.6 | Very high | 92.2 | Very high | 140 Ų | 140 | 70 Ų | 70 | 69% | 0.69 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -59.9 | -46.3 | 172.7 | -71.4 | -179.2 | 69.5 | 0 | 0 | 111.8 | P13 Q14 K19 N20 Q21 | P13-M17 WeakPolarHBondContact O-CG 3.24Å; P13-M17 PolarHBondContact O-N 3.33Å; Q14-M17 PolarHBondContact O-N 3.42Å; M17-K19 PolarHBondContact O-N 2.98Å; M17-N20 PolarHBondContact O-N 3.23Å; M17-Q21 PolarHBondContact O-N 2.95Å |
| 18 | L | 94.3 | Very high | 93.2 | Very high | 28 Ų | 28 | 74.5 Ų | 74.5 | 15% | 0.147 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 178.5 | 179.8 | 59.2 | 0 | 0 | 0 | 111.8 | I7 L10 Q14 L15 Q21 L22 V131 | I7-L18 HydrophobicContact CG2-CD2 4.3Å; L10-L18 HydrophobicContact CD1-CD2 3.92Å; Q14-L18 WeakPolarHBondContact O-CB 3.4Å; Q14-L18 PolarHBondContact O-N 3.41Å; L15-L18 PolarHBondContact O-N 2.99Å; L18-Q21 PolarHBondContact O-N 3.44Å; L18-L22 HydrophobicContact CD1-CD1 4.21Å; L18-L22 HydrophobicContact CD1-CG 4.34Å; L18-L22 HydrophobicContact CG-CD1 4.03Å; L18-L22 VanDerWaalsContact O-CG 3.31Å; L18-L22 WeakPolarHBondContact O-CG 3.34Å; L18-L22 PolarHBondContact O-N 3.44Å; L18-V131 HydrophobicContact CD2-CG2 3.56Å; L18-V131 HydrophobicContact CG-CG2 3.98Å |
| 19 | K | 95.3 | Very high | 94.1 | Very high | 56 Ų | 56 | 72.4 Ų | 72.4 | 24% | 0.243 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.7 | -49.1 | 174 | 179.1 | -164.2 | 165.4 | -69.4 | 0 | 110.8 | L15 E16 M17 Q21 L22 D23 V131 M132 M135 | L15-K19 WeakPolarHBondContact O-CB 3.41Å; L15-K19 PolarHBondContact O-N 3.41Å; E16-K19 PolarHBondContact O-N 2.99Å; M17-K19 PolarHBondContact O-N 2.98Å; K19-Q21 VanDerWaalsContact C-N 3.31Å; K19-Q21 PolarHBondContact O-N 3.47Å; K19-L22 PolarHBondContact O-N 3.21Å; K19-D23 IonicContact NZ-OD2 3.03Å; K19-D23 PolarHBondContact NZ-OD2 2.99Å; K19-D23 PolarHBondContact O-N 3.48Å; K19-V131 HydrophobicContact CB-CG1 4.04Å; K19-M132 HydrophobicContact CD-CG 4.3Å; K19-M132 HydrophobicContact CG-CG 4.4Å; K19-M135 HydrophobicContact CB-SD 4.3Å; K19-M135 HydrophobicContact CD-SD 4.19Å |
| 20 | N | 96.7 | Very high | 94.8 | Very high | 75 Ų | 75 | 67.7 Ų | 67.7 | 40% | 0.401 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.7 | -37.3 | -178.4 | -69.3 | -22.4 | 0 | 0 | 0 | 112.1 | E16 M17 D23 Q24 | E16-N20 VanDerWaalsContact O-CG 3.29Å; E16-N20 PolarHBondContact O-N 3.35Å; E16-N20 PolarHBondContact O-ND2 2.98Å; M17-N20 PolarHBondContact O-N 3.23Å; N20-D23 PolarHBondContact O-N 2.73Å; N20-Q24 WeakPolarHBondContact O-CG 3.49Å; N20-Q24 PolarHBondContact O-N 3.05Å |
| 21 | Q | 96.1 | Very high | 95.4 | Very high | 101 Ų | 101 | 69.4 Ų | 69.4 | 47% | 0.472 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63 | -48 | 172.4 | -178.4 | -177.7 | -13.7 | 0 | 0 | 111.4 | M17 L18 K19 D23 Q24 E25 | M17-Q21 PolarHBondContact O-N 2.95Å; L18-Q21 PolarHBondContact O-N 3.44Å; K19-Q21 VanDerWaalsContact C-N 3.31Å; K19-Q21 PolarHBondContact O-N 3.47Å; Q21-D23 VanDerWaalsContact C-N 3.27Å; Q21-D23 PolarHBondContact O-N 3.34Å; Q21-Q24 PolarHBondContact O-N 2.95Å; Q21-E25 WeakPolarHBondContact CG-OE1 3.43Å; Q21-E25 PolarHBondContact NE2-OE1 3.48Å; Q21-E25 WeakPolarHBondContact O-CG 3.49Å; Q21-E25 PolarHBondContact O-N 2.96Å |
| 22 | L | 96.8 | Very high | 95.8 | Very high | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.016 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.9 | -34.9 | 178.6 | -70.6 | 167.6 | 0 | 0 | 0 | 112 | L18 K19 E25 V26 K124 M127 K128 V131 | L18-L22 HydrophobicContact CD1-CD1 4.21Å; L18-L22 HydrophobicContact CD1-CG 4.34Å; L18-L22 HydrophobicContact CG-CD1 4.03Å; L18-L22 VanDerWaalsContact O-CG 3.31Å; L18-L22 WeakPolarHBondContact O-CG 3.34Å; L18-L22 PolarHBondContact O-N 3.44Å; K19-L22 PolarHBondContact O-N 3.21Å; L22-E25 PolarHBondContact O-N 3.03Å; L22-V26 WeakPolarHBondContact O-CB 3.35Å; L22-V26 VanDerWaalsContact O-CG2 3.24Å; L22-V26 WeakPolarHBondContact O-CG2 3.4Å; L22-V26 PolarHBondContact O-N 3.26Å; L22-K124 HydrophobicContact CD2-CD 3.92Å; L22-M127 HydrophobicContact CD1-CB 4.16Å; L22-M127 HydrophobicContact CD2-CB 4.1Å; L22-M127 HydrophobicContact CD2-CE 4.49Å; L22-K128 HydrophobicContact CB-CB 4.09Å; L22-K128 HydrophobicContact CB-CG 4.49Å; L22-K128 HydrophobicContact CD1-CB 4.29Å; L22-V131 HydrophobicContact CD1-CB 4.49Å; L22-V131 HydrophobicContact CD1-CG2 3.91Å |
| 23 | D | 97.4 | Very high | 96.1 | Very high | 38 Ų | 38 | 66 Ų | 66 | 20% | 0.203 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.4 | -49.7 | 173.9 | -77.8 | -32.1 | 0 | 0 | 0 | 111.7 | K19 N20 Q21 E25 V26 E27 K128 | K19-D23 IonicContact NZ-OD2 3.03Å; K19-D23 PolarHBondContact NZ-OD2 2.99Å; K19-D23 PolarHBondContact O-N 3.48Å; N20-D23 PolarHBondContact O-N 2.73Å; Q21-D23 VanDerWaalsContact C-N 3.27Å; Q21-D23 PolarHBondContact O-N 3.34Å; D23-E25 PolarHBondContact O-N 2.98Å; D23-V26 PolarHBondContact O-N 3.09Å; D23-E27 WeakPolarHBondContact O-CB 3.44Å; D23-E27 PolarHBondContact O-N 2.97Å; D23-K128 VanDerWaalsContact OD1-CD 3.24Å; D23-K128 WeakPolarHBondContact OD1-CD 3.4Å; D23-K128 WeakPolarHBondContact OD1-CE 3.3Å; D23-K128 IonicContact OD1-NZ 2.6Å; D23-K128 PolarHBondContact OD1-NZ 3.13Å |
| 24 | Q | 97.7 | Very high | 96.4 | Very high | 136 Ų | 136 | 64.8 Ų | 64.8 | 64% | 0.636 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.9 | -42.2 | 178.3 | -69.5 | 175.7 | -10.1 | 0 | 0 | 112.1 | N20 Q21 E27 F28 | N20-Q24 WeakPolarHBondContact O-CG 3.49Å; N20-Q24 PolarHBondContact O-N 3.05Å; Q21-Q24 PolarHBondContact O-N 2.95Å; Q24-E27 PolarHBondContact O-N 3.02Å; Q24-F28 WeakPolarHBondContact O-CB 3.34Å; Q24-F28 PolarHBondContact O-N 3.49Å |
| 25 | E | 97 | Very high | 96.7 | Very high | 51 Ų | 51 | 66.5 Ų | 66.5 | 24% | 0.238 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 177.8 | -71 | 178.6 | -163.9 | 0 | 0 | 111.6 | Q21 L22 D23 F28 L29 K124 | Q21-E25 WeakPolarHBondContact CG-OE1 3.43Å; Q21-E25 PolarHBondContact NE2-OE1 3.48Å; Q21-E25 WeakPolarHBondContact O-CG 3.49Å; Q21-E25 PolarHBondContact O-N 2.96Å; L22-E25 PolarHBondContact O-N 3.03Å; D23-E25 PolarHBondContact O-N 2.98Å; E25-F28 PolarHBondContact O-N 3.33Å; E25-L29 VanDerWaalsContact O-CG 3.25Å; E25-L29 WeakPolarHBondContact O-CG 3.5Å; E25-L29 PolarHBondContact O-N 3.14Å; E25-K124 WeakPolarHBondContact OE2-CD 3.37Å; E25-K124 WeakPolarHBondContact OE2-CE 3.41Å; E25-K124 IonicContact OE2-NZ 2.67Å; E25-K124 PolarHBondContact OE2-NZ 3.27Å |
| 26 | V | 97.8 | Very high | 96.9 | Very high | 17 Ų | 17 | 68.6 Ų | 68.6 | 10% | 0.103 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 176.5 | 165.7 | 0 | 0 | 0 | 0 | 111.2 | L22 D23 S30 L121 K124 | L22-V26 WeakPolarHBondContact O-CB 3.35Å; L22-V26 VanDerWaalsContact O-CG2 3.24Å; L22-V26 WeakPolarHBondContact O-CG2 3.4Å; L22-V26 PolarHBondContact O-N 3.26Å; D23-V26 PolarHBondContact O-N 3.09Å; V26-S30 VanDerWaalsContact O-CB 3.26Å; V26-S30 WeakPolarHBondContact O-CB 3.29Å; V26-S30 PolarHBondContact O-N 3.34Å; V26-S30 PolarHBondContact O-OG 3Å; V26-L121 HydrophobicContact CB-CD1 4.37Å; V26-L121 HydrophobicContact CG1-CD1 3.95Å; V26-L121 HydrophobicContact CG2-CD1 4.45Å; V26-K124 HydrophobicContact CG2-CB 3.86Å |
| 27 | E | 97.8 | Very high | 97.1 | Very high | 132 Ų | 132 | 68.5 Ų | 68.5 | 62% | 0.617 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.3 | -44.8 | 177.3 | -177.6 | 174.4 | -170 | 0 | 0 | 111.7 | D23 Q24 S30 T31 | D23-E27 WeakPolarHBondContact O-CB 3.44Å; D23-E27 PolarHBondContact O-N 2.97Å; Q24-E27 PolarHBondContact O-N 3.02Å; E27-S30 PolarHBondContact O-N 2.94Å; E27-T31 VanDerWaalsContact O-CB 3.31Å; E27-T31 WeakPolarHBondContact O-CB 3.44Å; E27-T31 PolarHBondContact O-N 3.31Å; E27-T31 PolarHBondContact O-OG1 2.92Å |
| 28 | F | 97.5 | Very high | 97.2 | Very high | 139 Ų | 139 | 65.9 Ų | 65.9 | 61% | 0.61 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.7 | -48.8 | 177.6 | 173.7 | -102.4 | 0 | 0 | 0 | 112.3 | Q24 E25 T31 S32 | Q24-F28 WeakPolarHBondContact O-CB 3.34Å; Q24-F28 PolarHBondContact O-N 3.49Å; E25-F28 PolarHBondContact O-N 3.33Å; F28-T31 PolarHBondContact O-N 3.02Å; F28-S32 WeakPolarHBondContact O-CB 3.32Å; F28-S32 PolarHBondContact O-N 3Å; F28-S32 PolarHBondContact O-OG 2.98Å |
| 29 | L | 97.8 | Very high | 97.4 | Very high | 29 Ų | 29 | 67.1 Ų | 67.1 | 15% | 0.152 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.9 | -41 | 179.6 | -65.9 | 172.8 | 0 | 0 | 0 | 111.5 | E25 S32 I33 I117 A120 L121 K124 | E25-L29 VanDerWaalsContact O-CG 3.25Å; E25-L29 WeakPolarHBondContact O-CG 3.5Å; E25-L29 PolarHBondContact O-N 3.14Å; L29-S32 PolarHBondContact O-N 3.37Å; L29-I33 PolarHBondContact O-N 2.94Å; L29-I117 HydrophobicContact CB-CG2 4.26Å; L29-I117 HydrophobicContact CD2-CG2 3.88Å; L29-A120 HydrophobicContact CD1-CB 4.43Å; L29-L121 HydrophobicContact CB-CB 4.21Å; L29-L121 HydrophobicContact CB-CD1 4Å; L29-L121 HydrophobicContact CD1-CB 4.34Å; L29-K124 HydrophobicContact CD1-CG 4.13Å |
| 30 | S | 97.5 | Very high | 97.5 | Very high | 49 Ų | 49 | 65.3 Ų | 65.3 | 34% | 0.343 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 177.4 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | V26 E27 S32 I33 A34 L121 | V26-S30 VanDerWaalsContact O-CB 3.26Å; V26-S30 WeakPolarHBondContact O-CB 3.29Å; V26-S30 PolarHBondContact O-N 3.34Å; V26-S30 PolarHBondContact O-OG 3Å; E27-S30 PolarHBondContact O-N 2.94Å; S30-S32 VanDerWaalsContact C-N 3.32Å; S30-S32 PolarHBondContact O-N 3.35Å; S30-I33 PolarHBondContact O-N 3.33Å; S30-A34 PolarHBondContact O-N 3.03Å; S30-L121 WeakPolarHBondContact OG-CD1 3.4Å |
| 31 | T | 97.5 | Very high | 97.6 | Very high | 64 Ų | 64 | 64.5 Ų | 64.5 | 39% | 0.393 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 177 | -59.4 | 0 | 0 | 0 | 0 | 111.2 | E27 F28 I33 A34 Q35 | E27-T31 VanDerWaalsContact O-CB 3.31Å; E27-T31 WeakPolarHBondContact O-CB 3.44Å; E27-T31 PolarHBondContact O-N 3.31Å; E27-T31 PolarHBondContact O-OG1 2.92Å; F28-T31 PolarHBondContact O-N 3.02Å; T31-I33 PolarHBondContact O-N 3.2Å; T31-A34 PolarHBondContact O-N 3.05Å; T31-Q35 HydrophobicContact CG2-CG 4.41Å; T31-Q35 WeakPolarHBondContact O-CG 3.44Å; T31-Q35 PolarHBondContact O-N 3.04Å |
| 32 | S | 97.2 | Very high | 97.6 | Very high | 24 Ų | 24 | 65.9 Ų | 65.9 | 17% | 0.168 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 177.3 | -61.9 | 0 | 0 | 0 | 0 | 111.7 | F28 L29 S30 Q35 L36 | F28-S32 WeakPolarHBondContact O-CB 3.32Å; F28-S32 PolarHBondContact O-N 3Å; F28-S32 PolarHBondContact O-OG 2.98Å; L29-S32 PolarHBondContact O-N 3.37Å; S30-S32 VanDerWaalsContact C-N 3.32Å; S30-S32 PolarHBondContact O-N 3.35Å; S32-Q35 PolarHBondContact O-N 3Å; S32-L36 VanDerWaalsContact O-CG 3.29Å; S32-L36 WeakPolarHBondContact O-CG 3.5Å; S32-L36 PolarHBondContact O-N 3.22Å |
| 33 | I | 97.8 | Very high | 97.7 | Very high | 27 Ų | 27 | 69.1 Ų | 69.1 | 14% | 0.138 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.2 | -45 | 175.3 | -71.5 | 166.3 | 0 | 0 | 0 | 110.6 | L29 S30 T31 Q35 L36 K37 M114 I117 L121 | L29-I33 PolarHBondContact O-N 2.94Å; S30-I33 PolarHBondContact O-N 3.33Å; T31-I33 PolarHBondContact O-N 3.2Å; I33-Q35 VanDerWaalsContact C-N 3.35Å; I33-Q35 PolarHBondContact O-N 3.35Å; I33-L36 PolarHBondContact O-N 3.05Å; I33-K37 WeakPolarHBondContact O-CB 3.32Å; I33-K37 PolarHBondContact O-N 3.48Å; I33-M114 HydrophobicContact CG2-SD 4.43Å; I33-I117 HydrophobicContact CD1-CB 4.21Å; I33-I117 HydrophobicContact CD1-CG2 3.74Å; I33-I117 HydrophobicContact CG1-CB 4.1Å; I33-I117 HydrophobicContact CG1-CG2 3.75Å; I33-L121 HydrophobicContact CD1-CD2 3.81Å |
| 34 | A | 98 | Very high | 97.7 | Very high | 55 Ų | 55 | 69.8 Ų | 69.8 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S30 T31 K37 V38 | S30-A34 PolarHBondContact O-N 3.03Å; T31-A34 PolarHBondContact O-N 3.05Å; A34-K37 WeakPolarHBondContact O-CB 2.94Å; A34-K37 PolarHBondContact O-N 3.22Å; A34-V38 WeakPolarHBondContact O-CG2 3.2Å; A34-V38 PolarHBondContact O-N 2.92Å |
| 35 | Q | 97.7 | Very high | 97.7 | Very high | 124 Ų | 124 | 68.6 Ų | 68.6 | 58% | 0.579 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.7 | -46.4 | 176.2 | -72.5 | 175.3 | -7.1 | 0 | 0 | 112 | T31 S32 I33 K37 V38 V39 | T31-Q35 HydrophobicContact CG2-CG 4.41Å; T31-Q35 WeakPolarHBondContact O-CG 3.44Å; T31-Q35 PolarHBondContact O-N 3.04Å; S32-Q35 PolarHBondContact O-N 3Å; I33-Q35 VanDerWaalsContact C-N 3.35Å; I33-Q35 PolarHBondContact O-N 3.35Å; Q35-K37 PolarHBondContact O-N 3.4Å; Q35-V38 PolarHBondContact O-N 2.95Å; Q35-V39 PolarHBondContact O-N 3.49Å; Q35-V39 VanDerWaalsContact O-N 3.17Å |
| 36 | L | 98 | Very high | 97.7 | Very high | 44 Ų | 44 | 67.8 Ų | 67.8 | 23% | 0.23 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.8 | -37 | 175.4 | -70 | 172.4 | 0 | 0 | 0 | 111.4 | S32 I33 V39 Q40 L110 M114 I117 | S32-L36 VanDerWaalsContact O-CG 3.29Å; S32-L36 WeakPolarHBondContact O-CG 3.5Å; S32-L36 PolarHBondContact O-N 3.22Å; I33-L36 PolarHBondContact O-N 3.05Å; L36-V39 PolarHBondContact O-N 3.32Å; L36-Q40 WeakPolarHBondContact O-CB 3.39Å; L36-Q40 PolarHBondContact O-N 2.6Å; L36-L110 HydrophobicContact CD2-CD2 3.74Å; L36-M114 HydrophobicContact CB-CG 3.67Å; L36-M114 HydrophobicContact CB-SD 3.87Å; L36-M114 HydrophobicContact CD1-CG 3.85Å; L36-M114 HydrophobicContact CG-CG 4.43Å; L36-I117 HydrophobicContact CD1-CD1 3.69Å |
| 37 | K | 97.9 | Very high | 97.6 | Very high | 107 Ų | 107 | 70.1 Ų | 70.1 | 47% | 0.465 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 177.2 | -171.3 | 64.1 | -179.6 | 177.8 | 0 | 112.2 | I33 A34 Q35 V39 Q40 T41 M114 | I33-K37 WeakPolarHBondContact O-CB 3.32Å; I33-K37 PolarHBondContact O-N 3.48Å; A34-K37 WeakPolarHBondContact O-CB 2.94Å; A34-K37 PolarHBondContact O-N 3.22Å; Q35-K37 PolarHBondContact O-N 3.4Å; K37-V39 VanDerWaalsContact C-N 3.33Å; K37-V39 PolarHBondContact O-N 3.39Å; K37-Q40 WeakPolarHBondContact O-CB 3.32Å; K37-Q40 PolarHBondContact O-N 3.48Å; K37-T41 PolarHBondContact O-N 3.03Å; K37-T41 PolarHBondContact O-OG1 2.99Å; K37-T41 VanDerWaalsContact O-OG1 3.14Å; K37-M114 HydrophobicContact CB-SD 4.13Å; K37-M114 HydrophobicContact CD-CE 4.38Å; K37-M114 HydrophobicContact CD-SD 4.32Å |
| 38 | V | 98.3 | Very high | 97.6 | Very high | 84 Ų | 84 | 67.6 Ų | 67.6 | 51% | 0.509 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.3 | -44.5 | 175.4 | 171.3 | 0 | 0 | 0 | 0 | 111 | A34 Q35 T41 K42 | A34-V38 WeakPolarHBondContact O-CG2 3.2Å; A34-V38 PolarHBondContact O-N 2.92Å; Q35-V38 PolarHBondContact O-N 2.95Å; V38-T41 PolarHBondContact O-N 3.34Å; V38-K42 WeakPolarHBondContact O-CG 3.44Å; V38-K42 PolarHBondContact O-N 2.67Å; V38-K42 VanDerWaalsContact O-N 3.14Å |
| 39 | V | 97.2 | Very high | 97.5 | Very high | 55 Ų | 55 | 64.8 Ų | 64.8 | 33% | 0.333 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66 | -42.1 | 177.5 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | Q35 L36 K37 T41 K42 Y43 L110 | Q35-V39 PolarHBondContact O-N 3.49Å; Q35-V39 VanDerWaalsContact O-N 3.17Å; L36-V39 PolarHBondContact O-N 3.32Å; K37-V39 VanDerWaalsContact C-N 3.33Å; K37-V39 PolarHBondContact O-N 3.39Å; V39-T41 VanDerWaalsContact C-N 3.33Å; V39-T41 PolarHBondContact O-N 3.01Å; V39-K42 PolarHBondContact O-N 2.86Å; V39-Y43 HydrophobicContact CG1-CD2 4.22Å; V39-Y43 HydrophobicContact CG1-CE1 4.46Å; V39-Y43 HydrophobicContact CG1-CE2 3.79Å; V39-Y43 PolarHBondContact O-N 3.04Å; V39-L110 HydrophobicContact CB-CD1 4.2Å; V39-L110 HydrophobicContact CG1-CD1 3.8Å |
| 40 | Q | 98 | Very high | 97.4 | Very high | 18 Ų | 18 | 64 Ų | 64 | 8% | 0.084 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.6 | -46.7 | 175.9 | -178.1 | -173.4 | 71.6 | 0 | 0 | 111.1 | L36 K37 K42 Y43 V44 I107 L110 T111 M114 | L36-Q40 WeakPolarHBondContact O-CB 3.39Å; L36-Q40 PolarHBondContact O-N 2.6Å; K37-Q40 WeakPolarHBondContact O-CB 3.32Å; K37-Q40 PolarHBondContact O-N 3.48Å; Q40-K42 PolarHBondContact O-N 3.37Å; Q40-Y43 PolarHBondContact O-N 2.83Å; Q40-Y43 VanDerWaalsContact O-N 3.16Å; Q40-V44 WeakPolarHBondContact O-CG2 3.38Å; Q40-V44 PolarHBondContact O-N 3.47Å; Q40-I107 HydrophobicContact CG-CG2 4.2Å; Q40-L110 HydrophobicContact CB-CB 4.35Å; Q40-L110 HydrophobicContact CB-CD1 4.08Å; Q40-T111 PolarHBondContact NE2-OG1 3.45Å; Q40-M114 HydrophobicContact CB-CE 4.43Å |
| 41 | T | 98.3 | Very high | 97.3 | Very high | 58 Ų | 58 | 66 Ų | 66 | 36% | 0.356 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 177.9 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | K37 V38 V39 Y43 V44 E45 | K37-T41 PolarHBondContact O-N 3.03Å; K37-T41 PolarHBondContact O-OG1 2.99Å; K37-T41 VanDerWaalsContact O-OG1 3.14Å; V38-T41 PolarHBondContact O-N 3.34Å; V39-T41 VanDerWaalsContact C-N 3.33Å; V39-T41 PolarHBondContact O-N 3.01Å; T41-Y43 VanDerWaalsContact C-N 3.28Å; T41-Y43 PolarHBondContact O-N 3.38Å; T41-V44 WeakPolarHBondContact O-CB 3.38Å; T41-V44 PolarHBondContact O-N 2.85Å; T41-V44 VanDerWaalsContact O-N 3.1Å; T41-E45 HydrophobicContact CG2-CG 4.49Å; T41-E45 WeakPolarHBondContact CG2-OE1 3.48Å; T41-E45 WeakPolarHBondContact O-CG 3.34Å; T41-E45 PolarHBondContact O-N 3.35Å |
| 42 | K | 97.1 | Very high | 97.1 | Very high | 130 Ų | 130 | 66.9 Ų | 66.9 | 57% | 0.565 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -58.4 | -38.4 | 175.7 | -70.5 | 179.4 | 178.8 | -174.6 | 0 | 112.8 | V38 V39 Q40 A46 | V38-K42 WeakPolarHBondContact O-CG 3.44Å; V38-K42 PolarHBondContact O-N 2.67Å; V38-K42 VanDerWaalsContact O-N 3.14Å; V39-K42 PolarHBondContact O-N 2.86Å; Q40-K42 PolarHBondContact O-N 3.37Å; K42-A46 WeakPolarHBondContact O-CB 3.44Å; K42-A46 PolarHBondContact O-N 3.4Å |
| 43 | Y | 97.8 | Very high | 96.9 | Very high | 71 Ų | 71 | 67.6 Ų | 67.6 | 28% | 0.278 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -73 | -32.6 | 176.2 | -69.2 | -18.6 | 0 | 0 | 0 | 113.3 | V39 Q40 T41 K47 F103 K106 L110 | V39-Y43 HydrophobicContact CG1-CD2 4.22Å; V39-Y43 HydrophobicContact CG1-CE1 4.46Å; V39-Y43 HydrophobicContact CG1-CE2 3.79Å; V39-Y43 PolarHBondContact O-N 3.04Å; Q40-Y43 PolarHBondContact O-N 2.83Å; Q40-Y43 VanDerWaalsContact O-N 3.16Å; T41-Y43 VanDerWaalsContact C-N 3.28Å; T41-Y43 PolarHBondContact O-N 3.38Å; Y43-K47 VanDerWaalsContact O-CB 3.29Å; Y43-K47 WeakPolarHBondContact O-CB 3.42Å; Y43-K47 PolarHBondContact O-N 3.15Å; Y43-F103 AromaticContact CD1-CD1 3.84Å; Y43-F103 HydrophobicContact CD1-CD1 3.84Å; Y43-F103 AromaticContact CD1-CE1 3.86Å; Y43-F103 HydrophobicContact CD1-CE1 3.86Å; Y43-F103 HydrophobicContact CE1-CD1 4.48Å; Y43-F103 HydrophobicContact CE1-CE1 4.24Å; Y43-F103 HydrophobicContact CG-CD1 4.08Å; Y43-K106 HydrophobicContact CD2-CB 3.66Å; Y43-K106 HydrophobicContact CE2-CB 3.72Å; Y43-K106 HydrophobicContact CE2-CG 4.29Å; Y43-L110 HydrophobicContact CD2-CD1 3.62Å; Y43-L110 HydrophobicContact CE2-CD1 3.8Å |
| 44 | V | 98.3 | Very high | 96.8 | Very high | 51 Ų | 51 | 69.3 Ų | 69.3 | 31% | 0.309 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.8 | -50.7 | 171.2 | 172.2 | 0 | 0 | 0 | 0 | 109.7 | Q40 T41 A46 K47 D48 I107 | Q40-V44 WeakPolarHBondContact O-CG2 3.38Å; Q40-V44 PolarHBondContact O-N 3.47Å; T41-V44 WeakPolarHBondContact O-CB 3.38Å; T41-V44 PolarHBondContact O-N 2.85Å; T41-V44 VanDerWaalsContact O-N 3.1Å; V44-A46 PolarHBondContact O-N 3.45Å; V44-K47 PolarHBondContact O-N 3.36Å; V44-D48 WeakPolarHBondContact O-CB 3.48Å; V44-D48 VanDerWaalsContact O-CG 3.23Å; V44-D48 PolarHBondContact O-N 3.43Å; V44-I107 HydrophobicContact CB-CD1 4.46Å; V44-I107 HydrophobicContact CG2-CD1 3.79Å; V44-I107 HydrophobicContact CG2-CG1 4.09Å; V44-I107 HydrophobicContact CG2-CG2 4.35Å |
| 45 | E | 97.4 | Very high | 96.6 | Very high | 112 Ų | 112 | 72.3 Ų | 72.3 | 52% | 0.523 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.5 | -47.1 | 176.9 | -70.5 | 170.1 | -174.8 | 0 | 0 | 111.7 | T41 K47 D48 C49 | T41-E45 HydrophobicContact CG2-CG 4.49Å; T41-E45 WeakPolarHBondContact CG2-OE1 3.48Å; T41-E45 WeakPolarHBondContact O-CG 3.34Å; T41-E45 PolarHBondContact O-N 3.35Å; E45-K47 PolarHBondContact O-N 2.93Å; E45-D48 PolarHBondContact O-N 2.98Å; E45-C49 WeakPolarHBondContact O-CB 3.24Å; E45-C49 PolarHBondContact O-N 2.93Å; E45-C49 PolarHBondContact O-SG 2.87Å |
| 46 | A | 96.1 | Very high | 96.5 | Very high | 33 Ų | 33 | 70.3 Ų | 70.3 | 27% | 0.273 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K42 V44 D48 C49 L50 F103 | K42-A46 WeakPolarHBondContact O-CB 3.44Å; K42-A46 PolarHBondContact O-N 3.4Å; V44-A46 PolarHBondContact O-N 3.45Å; A46-D48 VanDerWaalsContact C-N 3.33Å; A46-D48 PolarHBondContact O-N 3.38Å; A46-C49 PolarHBondContact O-N 3.45Å; A46-L50 WeakPolarHBondContact O-CG 3.4Å; A46-L50 PolarHBondContact O-N 3.19Å; A46-F103 HydrophobicContact CB-CD1 4.28Å; A46-F103 HydrophobicContact CB-CD2 4.39Å; A46-F103 HydrophobicContact CB-CE1 3.95Å; A46-F103 HydrophobicContact CB-CE2 4.07Å; A46-F103 HydrophobicContact CB-CZ 3.84Å |
| 47 | K | 97.4 | Very high | 96.4 | Very high | 66 Ų | 66 | 69.7 Ų | 69.7 | 29% | 0.287 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 176.9 | -169.8 | -160.6 | 72.2 | -177.3 | 0 | 111.5 | Y43 V44 E45 L50 F103 I107 | Y43-K47 VanDerWaalsContact O-CB 3.29Å; Y43-K47 WeakPolarHBondContact O-CB 3.42Å; Y43-K47 PolarHBondContact O-N 3.15Å; V44-K47 PolarHBondContact O-N 3.36Å; E45-K47 PolarHBondContact O-N 2.93Å; K47-L50 WeakPolarHBondContact O-CB 2.86Å; K47-L50 PolarHBondContact O-N 3.01Å; K47-F103 HydrophobicContact CB-CB 3.8Å; K47-F103 HydrophobicContact CB-CG 4.45Å; K47-F103 HydrophobicContact CG-CB 4.14Å; K47-I107 HydrophobicContact CB-CD1 4.44Å; K47-I107 HydrophobicContact CD-CD1 4.12Å |
| 48 | D | 96.8 | Very high | 96.3 | Very high | 79 Ų | 79 | 69 Ų | 69 | 42% | 0.422 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -71.6 | -35.9 | -178.3 | -66.5 | -14.3 | 0 | 0 | 0 | 111.4 | V44 E45 A46 L50 N51 | V44-D48 WeakPolarHBondContact O-CB 3.48Å; V44-D48 VanDerWaalsContact O-CG 3.23Å; V44-D48 PolarHBondContact O-N 3.43Å; E45-D48 PolarHBondContact O-N 2.98Å; A46-D48 VanDerWaalsContact C-N 3.33Å; A46-D48 PolarHBondContact O-N 3.38Å; D48-L50 PolarHBondContact O-N 3.45Å; D48-N51 WeakPolarHBondContact O-CB 3.32Å; D48-N51 PolarHBondContact O-N 2.84Å; D48-N51 VanDerWaalsContact O-N 3.09Å; D48-N51 PolarHBondContact O-ND2 3.41Å; D48-N51 VanDerWaalsContact O-ND2 3.11Å |
| 49 | C | 94.8 | Very high | 96.1 | Very high | 81 Ų | 81 | 67 Ų | 67 | 55% | 0.547 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.6 | -30.3 | 172.3 | -78.9 | 0 | 0 | 0 | 0 | 113.2 | E45 A46 N51 V52 | E45-C49 WeakPolarHBondContact O-CB 3.24Å; E45-C49 PolarHBondContact O-N 2.93Å; E45-C49 PolarHBondContact O-SG 2.87Å; A46-C49 PolarHBondContact O-N 3.45Å; C49-N51 PolarHBondContact O-N 2.97Å; C49-N51 VanDerWaalsContact O-N 3.12Å; C49-V52 VanDerWaalsContact O-CB 3.3Å; C49-V52 WeakPolarHBondContact O-CB 3.38Å; C49-V52 WeakPolarHBondContact O-CG2 3.37Å; C49-V52 PolarHBondContact O-N 3.37Å |
| 50 | L | 96.3 | Very high | 96.1 | Very high | 11 Ų | 11 | 69.4 Ų | 69.4 | 6% | 0.058 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -61.8 | -20.2 | 176.9 | -65.9 | 169.4 | 0 | 0 | 0 | 112.8 | A46 K47 D48 V52 L53 V82 A99 K100 F103 | A46-L50 WeakPolarHBondContact O-CG 3.4Å; A46-L50 PolarHBondContact O-N 3.19Å; K47-L50 WeakPolarHBondContact O-CB 2.86Å; K47-L50 PolarHBondContact O-N 3.01Å; D48-L50 PolarHBondContact O-N 3.45Å; L50-V52 PolarHBondContact O-N 3.03Å; L50-L53 HydrophobicContact CD2-CD1 3.83Å; L50-L53 WeakPolarHBondContact O-CB 3.39Å; L50-L53 PolarHBondContact O-N 3.23Å; L50-L53 VanDerWaalsContact O-N 3.14Å; L50-V82 HydrophobicContact CD2-CG1 3.93Å; L50-V82 HydrophobicContact CD2-CG2 4.16Å; L50-A99 HydrophobicContact CD1-CB 3.61Å; L50-A99 HydrophobicContact CD2-CB 4.11Å; L50-K100 HydrophobicContact CB-CG 3.94Å; L50-K100 HydrophobicContact CD1-CB 4.28Å; L50-K100 HydrophobicContact CD1-CG 3.64Å; L50-K100 HydrophobicContact CG-CG 4.45Å; L50-F103 HydrophobicContact CD1-CD2 3.9Å; L50-F103 HydrophobicContact CD1-CE2 4.21Å |
| 51 | N | 94.6 | Very high | 96 | Very high | 92 Ų | 92 | 76 Ų | 76 | 49% | 0.492 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -69.9 | -19.8 | 175.1 | -60.9 | -45 | 0 | 0 | 0 | 112.9 | D48 C49 N54 | D48-N51 WeakPolarHBondContact O-CB 3.32Å; D48-N51 PolarHBondContact O-N 2.84Å; D48-N51 VanDerWaalsContact O-N 3.09Å; D48-N51 PolarHBondContact O-ND2 3.41Å; D48-N51 VanDerWaalsContact O-ND2 3.11Å; C49-N51 PolarHBondContact O-N 2.97Å; C49-N51 VanDerWaalsContact O-N 3.12Å; N51-N54 PolarHBondContact O-ND2 3.46Å |
| 52 | V | 93.3 | Very high | 95.9 | Very high | 83 Ų | 83 | 76.6 Ų | 76.6 | 50% | 0.503 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -71.7 | -24 | 173.3 | -176.9 | 0 | 0 | 0 | 0 | 110.9 | C49 L50 N54 N57 | C49-V52 VanDerWaalsContact O-CB 3.3Å; C49-V52 WeakPolarHBondContact O-CB 3.38Å; C49-V52 WeakPolarHBondContact O-CG2 3.37Å; C49-V52 PolarHBondContact O-N 3.37Å; L50-V52 PolarHBondContact O-N 3.03Å; V52-N54 VanDerWaalsContact C-N 3.33Å; V52-N54 PolarHBondContact O-N 3.2Å; V52-N54 PolarHBondContact O-ND2 3.23Å; V52-N57 PolarHBondContact O-ND2 3.27Å |
| 53 | L | 94.6 | Very high | 95.8 | Very high | 39 Ų | 39 | 75.9 Ų | 75.9 | 20% | 0.204 | 41% | 0.405 | C | S | . | . | trans | -81.8 | 78.6 | 179.5 | -53.2 | -175.9 | 0 | 0 | 0 | 110.3 | L50 L76 V79 V82 | L50-L53 HydrophobicContact CD2-CD1 3.83Å; L50-L53 WeakPolarHBondContact O-CB 3.39Å; L50-L53 PolarHBondContact O-N 3.23Å; L50-L53 VanDerWaalsContact O-N 3.14Å; L53-L76 HydrophobicContact CD2-CD1 4Å; L53-L76 HydrophobicContact CD2-CD2 4.08Å; L53-V79 HydrophobicContact CB-CB 4.44Å; L53-V82 HydrophobicContact CD1-CG1 3.23Å | ||
| 54 | N | 94.4 | Very high | 95.7 | Very high | 62 Ų | 62 | 75.4 Ų | 75.4 | 33% | 0.332 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -134.3 | 159.6 | 175.5 | 64.9 | 70.9 | 0 | 0 | 0 | 110.2 | N51 V52 S56 N57 | N51-N54 PolarHBondContact O-ND2 3.46Å; V52-N54 VanDerWaalsContact C-N 3.33Å; V52-N54 PolarHBondContact O-N 3.2Å; V52-N54 PolarHBondContact O-ND2 3.23Å; N54-S56 PolarHBondContact O-N 2.88Å; N54-S56 WeakPolarHBondContact OD1-CB 3.48Å; N54-S56 PolarHBondContact OD1-N 2.95Å; N54-S56 PolarHBondContact OD1-OG 3.01Å; N54-N57 PolarHBondContact ND2-ND2 3.34Å; N54-N57 PolarHBondContact O-N 3.14Å |
| 55 | K | 94.4 | Very high | 95.7 | Very high | 118 Ų | 118 | 76.7 Ų | 76.7 | 51% | 0.513 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -56.1 | -27.9 | -174.7 | -68.8 | -66.7 | 178.3 | -174.1 | 0 | 114.5 | N57 E58 V79 E80 | K55-N57 PolarHBondContact O-N 2.96Å; K55-E58 WeakPolarHBondContact CD-OE2 3.24Å; K55-E58 IonicContact NZ-OE2 3.21Å; K55-E58 PolarHBondContact NZ-OE2 2.94Å; K55-E58 WeakPolarHBondContact O-CB 3.38Å; K55-E58 PolarHBondContact O-N 2.67Å; K55-V79 HydrophobicContact CD-CG2 3.94Å; K55-E80 WeakPolarHBondContact CE-OE1 3.38Å; K55-E80 IonicContact NZ-OE1 3.57Å; K55-E80 PolarHBondContact NZ-OE1 3.35Å |
| 56 | S | 95.3 | Very high | 95.6 | Very high | 82 Ų | 82 | 76.2 Ų | 76.2 | 57% | 0.573 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -70.1 | -16.3 | 177.3 | 82.3 | 0 | 0 | 0 | 0 | 113.6 | N54 K60 | N54-S56 PolarHBondContact O-N 2.88Å; N54-S56 WeakPolarHBondContact OD1-CB 3.48Å; N54-S56 PolarHBondContact OD1-N 2.95Å; N54-S56 PolarHBondContact OD1-OG 3.01Å; S56-K60 WeakPolarHBondContact O-CE 3.45Å; S56-K60 PolarHBondContact O-NZ 2.99Å |
| 57 | N | 95.6 | Very high | 95.7 | Very high | 32 Ų | 32 | 78.1 Ų | 78.1 | 17% | 0.171 | 43% | 0.428 | C | S | . | . | G | 310 helix | trans | -102 | -5.7 | 178.7 | -71.1 | -25.3 | 0 | 0 | 0 | 113.4 | V52 N54 K55 G59 K60 L76 | V52-N57 PolarHBondContact O-ND2 3.27Å; N54-N57 PolarHBondContact ND2-ND2 3.34Å; N54-N57 PolarHBondContact O-N 3.14Å; K55-N57 PolarHBondContact O-N 2.96Å; N57-G59 PolarHBondContact O-N 3.35Å; N57-K60 HydrophobicContact CB-CD 4.36Å; N57-K60 WeakPolarHBondContact O-CB 3.31Å; N57-K60 PolarHBondContact O-N 3.47Å; N57-K60 VanDerWaalsContact O-N 3.13Å; N57-K60 WeakPolarHBondContact OD1-CD 3.45Å; N57-K60 PolarHBondContact OD1-NZ 3.41Å; N57-L76 HydrophobicContact CB-CD2 4Å |
| 58 | E | 95.5 | Very high | 95.6 | Very high | 93 Ų | 93 | 80.1 Ų | 80.1 | 44% | 0.435 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 130.9 | 176.7 | -165.7 | 172.7 | 169.4 | 0 | 0 | 110.4 | K55 K60 V79 | K55-E58 WeakPolarHBondContact CD-OE2 3.24Å; K55-E58 IonicContact NZ-OE2 3.21Å; K55-E58 PolarHBondContact NZ-OE2 2.94Å; K55-E58 WeakPolarHBondContact O-CB 3.38Å; K55-E58 PolarHBondContact O-N 2.67Å; E58-K60 PolarHBondContact O-N 2.72Å; E58-V79 HydrophobicContact CB-CG1 4.01Å; E58-V79 HydrophobicContact CB-CG2 4.31Å; E58-V79 HydrophobicContact CG-CG1 4.38Å; E58-V79 HydrophobicContact CG-CG2 4.45Å |
| 59 | G | 95.6 | Very high | 95.6 | Very high | 41 Ų | 41 | 81.4 Ų | 81.4 | 42% | 0.423 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | -3.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116 | N57 L76 | N57-G59 PolarHBondContact O-N 3.35Å; G59-L76 PolarHBondContact N-O 3.43Å |
| 60 | K | 96.5 | Very high | 95.7 | Very high | 106 Ų | 106 | 82.3 Ų | 82.3 | 46% | 0.461 | 46% | 0.462 | S | S | . | . | trans | -68 | 149.8 | 176.2 | -71.2 | -169.6 | -178 | 156.7 | 0 | 111.8 | S56 N57 E58 K75 L76 | S56-K60 WeakPolarHBondContact O-CE 3.45Å; S56-K60 PolarHBondContact O-NZ 2.99Å; N57-K60 HydrophobicContact CB-CD 4.36Å; N57-K60 WeakPolarHBondContact O-CB 3.31Å; N57-K60 PolarHBondContact O-N 3.47Å; N57-K60 VanDerWaalsContact O-N 3.13Å; N57-K60 WeakPolarHBondContact OD1-CD 3.45Å; N57-K60 PolarHBondContact OD1-NZ 3.41Å; E58-K60 PolarHBondContact O-N 2.72Å; K60-K75 WeakPolarHBondContact O-CA 3.37Å; K60-L76 PolarHBondContact O-N 3.34Å | ||
| 61 | E | 96.3 | Very high | 95.8 | Very high | 155 Ų | 155 | 87.6 Ų | 87.6 | 72% | 0.724 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 140 | 175.9 | -63.9 | -175.6 | 168.3 | 0 | 0 | 111.4 | G74 K75 | E61-G74 CarbonylContact C-O 3.58Å; E61-G74 VanDerWaalsContact CA-O 3.3Å; E61-G74 WeakPolarHBondContact CA-O 3.06Å; E61-K75 HydrophobicContact CG-CG 4.32Å |
| 62 | L | 95 | Very high | 96 | Very high | 71 Ų | 71 | 85.9 Ų | 85.9 | 37% | 0.372 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 164.7 | 173.7 | 65.4 | 116.2 | 0 | 0 | 0 | 110.2 | V64 G74 L76 | L62-V64 HydrophobicContact CD1-CG2 3.9Å; L62-G74 PolarHBondContact N-O 2.94Å; L62-G74 PolarHBondContact O-N 3.02Å; L62-L76 HydrophobicContact CD2-CB 3.56Å; L62-L76 HydrophobicContact CD2-CD1 4.1Å; L62-L76 HydrophobicContact CD2-CG 4.39Å; L62-L76 VanDerWaalsContact CD2-N 3.31Å |
| 63 | L | 96.2 | Very high | 96.2 | Very high | 115 Ų | 115 | 87.1 Ų | 87.1 | 60% | 0.602 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94 | 124.1 | 173.1 | -66.9 | 179.4 | 0 | 0 | 0 | 109.9 | Y71 | L63-Y71 HydrophobicContact CB-CD1 4.14Å |
| 64 | V | 96.1 | Very high | 96.3 | Very high | 61 Ų | 61 | 86.2 Ų | 86.2 | 37% | 0.37 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 118.2 | 173.7 | -175.9 | 0 | 0 | 0 | 0 | 108.2 | L62 Y71 V72 | L62-V64 HydrophobicContact CD1-CG2 3.9Å; V64-Y71 WeakPolarHBondContact O-CA 3.49Å; V64-V72 HydrophobicContact CB-CG2 4.13Å; V64-V72 PolarHBondContact N-O 2.84Å; V64-V72 PolarHBondContact O-N 3.44Å |
| 65 | P | 97.2 | Very high | 96.4 | Very high | 79 Ų | 79 | 90 Ų | 90 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 130.9 | 176.9 | 27.1 | -32.1 | 0 | 0 | 0 | 110.8 | Y71 | P65-Y71 HydrophobicContact CB-CD1 3.85Å; P65-Y71 HydrophobicContact CB-CE1 3.68Å |
| 66 | L | 96.5 | Very high | 96.4 | Very high | 101 Ų | 101 | 86.1 Ų | 86.1 | 53% | 0.529 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -94.5 | -34.1 | 167.5 | -62.2 | -173.5 | 0 | 0 | 0 | 111.4 | M70 V72 | L66-M70 HydrophobicContact CB-CE 3.88Å; L66-M70 HydrophobicContact CD1-CE 3.95Å; L66-M70 PolarHBondContact N-O 2.96Å; L66-V72 HydrophobicContact CD1-CG1 3.61Å; L66-V72 HydrophobicContact CD1-CG2 4.47Å; L66-V72 HydrophobicContact CD2-CG2 4.08Å; L66-V72 HydrophobicContact CG-CG1 4.1Å; L66-V72 HydrophobicContact CG-CG2 4.18Å |
| 67 | T | 97 | Very high | 96.3 | Very high | 73 Ų | 73 | 90 Ų | 90 | 45% | 0.448 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -143.2 | -174.6 | 173.4 | 70.8 | 0 | 0 | 0 | 0 | 109 | S69 M70 | T67-S69 PolarHBondContact O-N 3.49Å; T67-S69 PolarHBondContact OG1-N 3.03Å; T67-M70 HydrophobicContact CG2-CE 4.14Å; T67-M70 PolarHBondContact N-O 3.37Å; T67-M70 WeakPolarHBondContact OG1-CB 3.21Å; T67-M70 PolarHBondContact OG1-N 3.26Å |
| 68 | S | 95.7 | Very high | 96.3 | Very high | 108 Ų | 108 | 91.7 Ų | 91.7 | 76% | 0.755 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -62.9 | -22.4 | 175.3 | 55.5 | 0 | 0 | 0 | 0 | 114.3 | Y71 | S68-Y71 PolarHBondContact O-OH 2.89Š|
| 69 | S | 96.9 | Very high | 96.3 | Very high | 106 Ų | 106 | 87.5 Ų | 87.5 | 74% | 0.741 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -127.4 | 4.6 | -173.8 | -52 | 0 | 0 | 0 | 0 | 114.1 | T67 | T67-S69 PolarHBondContact O-N 3.49Å; T67-S69 PolarHBondContact OG1-N 3.03Å |
| 70 | M | 97.8 | Very high | 96.4 | Very high | 100 Ų | 100 | 90.1 Ų | 90.1 | 49% | 0.493 | 48% | 0.483 | S | S | . | . | trans | -131.8 | 131.7 | -177.2 | -174.4 | 171 | 63 | 0 | 0 | 110.7 | L66 T67 | L66-M70 HydrophobicContact CB-CE 3.88Å; L66-M70 HydrophobicContact CD1-CE 3.95Å; L66-M70 PolarHBondContact N-O 2.96Å; T67-M70 HydrophobicContact CG2-CE 4.14Å; T67-M70 PolarHBondContact N-O 3.37Å; T67-M70 WeakPolarHBondContact OG1-CB 3.21Å; T67-M70 PolarHBondContact OG1-N 3.26Å | ||
| 71 | Y | 98.2 | Very high | 96.4 | Very high | 123 Ų | 123 | 88.3 Ų | 88.3 | 48% | 0.482 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 151.7 | -173.4 | -59.5 | -100.3 | 0 | 0 | 0 | 110.3 | L63 V64 P65 S68 | L63-Y71 HydrophobicContact CB-CD1 4.14Å; V64-Y71 WeakPolarHBondContact O-CA 3.49Å; P65-Y71 HydrophobicContact CB-CD1 3.85Å; P65-Y71 HydrophobicContact CB-CE1 3.68Å; S68-Y71 PolarHBondContact O-OH 2.89Å |
| 72 | V | 98.3 | Very high | 96.5 | Very high | 56 Ų | 56 | 82.3 Ų | 82.3 | 34% | 0.339 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 149 | 171.8 | -66.2 | 0 | 0 | 0 | 0 | 110.3 | V64 L66 | V64-V72 HydrophobicContact CB-CG2 4.13Å; V64-V72 PolarHBondContact N-O 2.84Å; V64-V72 PolarHBondContact O-N 3.44Å; L66-V72 HydrophobicContact CD1-CG1 3.61Å; L66-V72 HydrophobicContact CD1-CG2 4.47Å; L66-V72 HydrophobicContact CD2-CG2 4.08Å; L66-V72 HydrophobicContact CG-CG1 4.1Å; L66-V72 HydrophobicContact CG-CG2 4.18Å |
| 73 | P | 97.9 | Very high | 96.6 | Very high | 109 Ų | 109 | 84.5 Ų | 84.5 | 71% | 0.708 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 139.6 | 172.8 | 28.5 | -34.1 | 0 | 0 | 0 | 110.7 | ||
| 74 | G | 96.7 | Very high | 96.6 | Very high | 20 Ų | 20 | 79.6 Ų | 79.6 | 21% | 0.206 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 175.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E61 L62 | E61-G74 CarbonylContact C-O 3.58Å; E61-G74 VanDerWaalsContact CA-O 3.3Å; E61-G74 WeakPolarHBondContact CA-O 3.06Å; L62-G74 PolarHBondContact N-O 2.94Å; L62-G74 PolarHBondContact O-N 3.02Å |
| 75 | K | 95.8 | Very high | 96.5 | Very high | 142 Ų | 142 | 81.1 Ų | 81.1 | 62% | 0.617 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 142.7 | 175.7 | -69 | -175.7 | 177.4 | -177.1 | 0 | 110.6 | K60 E61 H77 | K60-K75 WeakPolarHBondContact O-CA 3.37Å; E61-K75 HydrophobicContact CG-CG 4.32Å; K75-H77 PolarHBondContact O-N 3.12Å |
| 76 | L | 94.5 | Very high | 96.3 | Very high | 35 Ų | 35 | 81.1 Ų | 81.1 | 18% | 0.183 | 44% | 0.44 | C | S | . | . | trans | -73.4 | 99 | 177.7 | -169.2 | 60 | 0 | 0 | 0 | 109.4 | L53 N57 G59 K60 L62 V79 | L53-L76 HydrophobicContact CD2-CD1 4Å; L53-L76 HydrophobicContact CD2-CD2 4.08Å; N57-L76 HydrophobicContact CB-CD2 4Å; G59-L76 PolarHBondContact N-O 3.43Å; K60-L76 PolarHBondContact O-N 3.34Å; L62-L76 HydrophobicContact CD2-CB 3.56Å; L62-L76 HydrophobicContact CD2-CD1 4.1Å; L62-L76 HydrophobicContact CD2-CG 4.39Å; L62-L76 VanDerWaalsContact CD2-N 3.31Å; L76-V79 HydrophobicContact CD2-CG1 3.65Å; L76-V79 HydrophobicContact CG-CG1 3.87Å | ||
| 77 | H | 93.1 | Very high | 96 | Very high | 165 Ų | 165 | 77.6 Ų | 77.6 | 76% | 0.764 | 43% | 0.428 | S | S | * | . | trans | -80.6 | -46 | -172.7 | 178.9 | 48 | 0 | 0 | 0 | 113.5 | K75 | K75-H77 PolarHBondContact O-N 3.12Š| ||
| 78 | D | 94.9 | Very high | 95.8 | Very high | 66 Ų | 66 | 80.6 Ų | 80.6 | 35% | 0.353 | 45% | 0.447 | S | S | . | . | trans | -120.6 | 130.4 | -180 | -170.5 | -4 | 0 | 0 | 0 | 109.2 | E80 H81 | D78-E80 WeakPolarHBondContact OD1-CA 3.25Å; D78-E80 WeakPolarHBondContact OD1-CB 3.04Å; D78-E80 PolarHBondContact OD1-N 3.26Å; D78-H81 PolarHBondContact OD1-N 2.91Å; D78-H81 IonicContact OD1-ND1 2.84Å; D78-H81 WeakPolarHBondContact OD2-CB 3.47Å; D78-H81 IonicContact OD2-CG 2.69Å; D78-H81 IonicContact OD2-ND1 3.25Å; D78-H81 PolarHBondContact OD2-ND1 3.17Å | ||
| 79 | V | 96.3 | Very high | 95.8 | Very high | 6 Ų | 6 | 78.2 Ų | 78.2 | 4% | 0.036 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -114.2 | -1.3 | 177.3 | -61.7 | 0 | 0 | 0 | 0 | 112.2 | L53 K55 E58 L76 | L53-V79 HydrophobicContact CB-CB 4.44Å; K55-V79 HydrophobicContact CD-CG2 3.94Å; E58-V79 HydrophobicContact CB-CG1 4.01Å; E58-V79 HydrophobicContact CB-CG2 4.31Å; E58-V79 HydrophobicContact CG-CG1 4.38Å; E58-V79 HydrophobicContact CG-CG2 4.45Å; L76-V79 HydrophobicContact CD2-CG1 3.65Å; L76-V79 HydrophobicContact CG-CG1 3.87Å |
| 80 | E | 96.9 | Very high | 95.8 | Very high | 96 Ų | 96 | 80.8 Ų | 80.8 | 45% | 0.449 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -100.4 | -33.6 | -178.1 | -65.1 | -176.4 | -177.4 | 0 | 0 | 111.9 | K55 D78 T95 A96 | K55-E80 WeakPolarHBondContact CE-OE1 3.38Å; K55-E80 IonicContact NZ-OE1 3.57Å; K55-E80 PolarHBondContact NZ-OE1 3.35Å; D78-E80 WeakPolarHBondContact OD1-CA 3.25Å; D78-E80 WeakPolarHBondContact OD1-CB 3.04Å; D78-E80 PolarHBondContact OD1-N 3.26Å; E80-T95 CarbonylContact O-C 3.57Å; E80-T95 WeakPolarHBondContact O-CA 3.33Å; E80-A96 PolarHBondContact O-N 3.42Å |
| 81 | H | 97.7 | Very high | 95.7 | Very high | 67 Ų | 67 | 82.8 Ų | 82.8 | 31% | 0.31 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 149.1 | -177.6 | -49.1 | 85.8 | 0 | 0 | 0 | 113.1 | D78 E93 K94 | D78-H81 PolarHBondContact OD1-N 2.91Å; D78-H81 IonicContact OD1-ND1 2.84Å; D78-H81 WeakPolarHBondContact OD2-CB 3.47Å; D78-H81 IonicContact OD2-CG 2.69Å; D78-H81 IonicContact OD2-ND1 3.25Å; D78-H81 PolarHBondContact OD2-ND1 3.17Å; H81-E93 HydrophobicContact CB-CG 4.06Å; H81-K94 CarbonylContact C-O 3.59Å; H81-K94 WeakPolarHBondContact CA-O 3.22Å |
| 82 | V | 97.1 | Very high | 95.7 | Very high | 29 Ų | 29 | 79.8 Ų | 79.8 | 18% | 0.176 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 147.4 | 174.4 | -64.7 | 0 | 0 | 0 | 0 | 110.5 | L50 L53 I84 E93 K94 A99 | L50-V82 HydrophobicContact CD2-CG1 3.93Å; L50-V82 HydrophobicContact CD2-CG2 4.16Å; L53-V82 HydrophobicContact CD1-CG1 3.23Å; V82-I84 HydrophobicContact CG2-CG1 4.19Å; V82-E93 WeakPolarHBondContact O-CA 3.37Å; V82-K94 PolarHBondContact N-O 3.03Å; V82-K94 PolarHBondContact O-N 3.49Å; V82-A99 HydrophobicContact CG2-CB 3.51Å |
| 83 | L | 97 | Very high | 95.7 | Very high | 117 Ų | 117 | 83.2 Ų | 83.2 | 61% | 0.613 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 126.7 | 169 | -64.4 | 175 | 0 | 0 | 0 | 109.4 | Y91 E93 | L83-Y91 HydrophobicContact CB-CD1 4.46Å; L83-E93 HydrophobicContact CD2-CB 3.82Å; L83-E93 HydrophobicContact CD2-CG 4.22Å |
| 84 | I | 96.5 | Very high | 95.7 | Very high | 12 Ų | 12 | 80.8 Ų | 80.8 | 6% | 0.062 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 124.3 | 177.8 | -55.6 | -177.1 | 0 | 0 | 0 | 109 | V82 V86 Y91 V92 K94 A99 F102 F103 | V82-I84 HydrophobicContact CG2-CG1 4.19Å; I84-V86 PolarHBondContact O-N 2.96Å; I84-Y91 CarbonylContact O-C 3.38Å; I84-Y91 WeakPolarHBondContact O-CA 3.44Å; I84-V92 PolarHBondContact N-O 3.43Å; I84-V92 PolarHBondContact O-N 3.31Å; I84-K94 HydrophobicContact CD1-CB 4.35Å; I84-K94 HydrophobicContact CD1-CD 3.92Å; I84-K94 HydrophobicContact CD1-CG 4.3Å; I84-A99 HydrophobicContact CD1-CB 3.79Å; I84-F102 HydrophobicContact CD1-CD1 3.89Å; I84-F102 HydrophobicContact CD1-CE1 4.38Å; I84-F102 HydrophobicContact CD1-CG 4.27Å; I84-F102 HydrophobicContact CG2-CD1 4.27Å; I84-F102 HydrophobicContact CG2-CE1 3.73Å; I84-F102 HydrophobicContact CG2-CZ 4.19Å; I84-F103 HydrophobicContact CD1-CE2 4.12Å; I84-F103 HydrophobicContact CD1-CZ 4.32Å; I84-F103 HydrophobicContact CG2-CZ 4.22Å |
| 85 | D | 94.7 | Very high | 95.7 | Very high | 93 Ų | 93 | 82.3 Ų | 82.3 | 50% | 0.497 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 125.2 | 171.5 | -175.6 | -0.6 | 0 | 0 | 0 | 110.4 | G87 Y91 | D85-G87 WeakPolarHBondContact OD1-CA 3.26Å; D85-G87 PolarHBondContact OD1-N 3.33Å; D85-Y91 HydrophobicContact CB-CD1 4.03Å; D85-Y91 HydrophobicContact CB-CE1 3.75Å |
| 86 | V | 93.2 | Very high | 95.7 | Very high | 80 Ų | 80 | 76 Ų | 76 | 49% | 0.485 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 6.3 | 176.5 | -62.1 | 0 | 0 | 0 | 0 | 113 | I84 Y90 V92 | I84-V86 PolarHBondContact O-N 2.96Å; V86-Y90 WeakPolarHBondContact CG2-O 3.33Å; V86-Y90 PolarHBondContact N-O 3.25Å; V86-V92 HydrophobicContact CG1-CB 4.34Å; V86-V92 HydrophobicContact CG1-CG2 3.8Å; V86-V92 HydrophobicContact CG2-CG2 4.04Å |
| 87 | G | 90.1 | Very high | 95.8 | Very high | 27 Ų | 27 | 79.4 Ų | 79.4 | 28% | 0.278 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 103 | 163.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D85 G89 Y90 | D85-G87 WeakPolarHBondContact OD1-CA 3.26Å; D85-G87 PolarHBondContact OD1-N 3.33Å; G87-G89 PolarHBondContact O-N 2.88Å; G87-G89 VanDerWaalsContact O-N 3.07Å; G87-Y90 PolarHBondContact O-N 3.27Å |
| 88 | T | 93.2 | Very high | 96 | Very high | 136 Ų | 136 | 75.5 Ų | 75.5 | 83% | 0.834 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 27 | 176.4 | 54.4 | 0 | 0 | 0 | 0 | 114.8 | Y90 | T88-Y90 VanDerWaalsContact C-N 3.35Å; T88-Y90 WeakPolarHBondContact O-CD2 3.31Å; T88-Y90 WeakPolarHBondContact OG1-CD2 3.44Å |
| 89 | G | 94.8 | Very high | 96.2 | Very high | 58 Ų | 58 | 72.3 Ų | 72.3 | 60% | 0.598 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 10.3 | -180 | 0 | 0 | 0 | 0 | 0 | 114.8 | G87 | G87-G89 PolarHBondContact O-N 2.88Å; G87-G89 VanDerWaalsContact O-N 3.07Å |
| 90 | Y | 96.7 | Very high | 96.2 | Very high | 159 Ų | 159 | 74.6 Ų | 74.6 | 62% | 0.624 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 139 | 175.5 | -68.3 | -90.6 | 0 | 0 | 0 | 111.3 | V86 G87 T88 | V86-Y90 WeakPolarHBondContact CG2-O 3.33Å; V86-Y90 PolarHBondContact N-O 3.25Å; G87-Y90 PolarHBondContact O-N 3.27Å; T88-Y90 VanDerWaalsContact C-N 3.35Å; T88-Y90 WeakPolarHBondContact O-CD2 3.31Å; T88-Y90 WeakPolarHBondContact OG1-CD2 3.44Å |
| 91 | Y | 97 | Very high | 96.3 | Very high | 142 Ų | 142 | 74 Ų | 74 | 56% | 0.557 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 142.7 | 177.6 | -62 | -96.1 | 0 | 0 | 0 | 109.4 | L83 I84 D85 | L83-Y91 HydrophobicContact CB-CD1 4.46Å; I84-Y91 CarbonylContact O-C 3.38Å; I84-Y91 WeakPolarHBondContact O-CA 3.44Å; D85-Y91 HydrophobicContact CB-CD1 4.03Å; D85-Y91 HydrophobicContact CB-CE1 3.75Å |
| 92 | V | 97 | Very high | 96.3 | Very high | 61 Ų | 61 | 72.3 Ų | 72.3 | 37% | 0.37 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.5 | 175.8 | 179.2 | 0 | 0 | 0 | 0 | 108.4 | I84 V86 K94 | I84-V92 PolarHBondContact N-O 3.43Å; I84-V92 PolarHBondContact O-N 3.31Å; V86-V92 HydrophobicContact CG1-CB 4.34Å; V86-V92 HydrophobicContact CG1-CG2 3.8Å; V86-V92 HydrophobicContact CG2-CG2 4.04Å; V92-K94 HydrophobicContact CG1-CG 4.36Å |
| 93 | E | 97.9 | Very high | 96.3 | Very high | 128 Ų | 128 | 72 Ų | 72 | 60% | 0.598 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 134.8 | 171.1 | -166.8 | 172.2 | 89.6 | 0 | 0 | 110.3 | H81 V82 L83 | H81-E93 HydrophobicContact CB-CG 4.06Å; V82-E93 WeakPolarHBondContact O-CA 3.37Å; L83-E93 HydrophobicContact CD2-CB 3.82Å; L83-E93 HydrophobicContact CD2-CG 4.22Å |
| 94 | K | 98 | Very high | 96.4 | Very high | 57 Ų | 57 | 71.4 Ų | 71.4 | 25% | 0.248 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 152.9 | 173.9 | -70.5 | -161.3 | 171.8 | -63.6 | 0 | 109.8 | H81 V82 I84 V92 D98 A99 F102 | H81-K94 CarbonylContact C-O 3.59Å; H81-K94 WeakPolarHBondContact CA-O 3.22Å; V82-K94 PolarHBondContact N-O 3.03Å; V82-K94 PolarHBondContact O-N 3.49Å; I84-K94 HydrophobicContact CD1-CB 4.35Å; I84-K94 HydrophobicContact CD1-CD 3.92Å; I84-K94 HydrophobicContact CD1-CG 4.3Å; V92-K94 HydrophobicContact CG1-CG 4.36Å; K94-D98 HydrophobicContact CB-CB 4.18Å; K94-D98 HydrophobicContact CD-CB 4.21Å; K94-A99 HydrophobicContact CB-CB 4.32Å; K94-F102 HydrophobicContact CD-CB 4.27Å |
| 95 | T | 97.8 | Very high | 96.4 | Very high | 52 Ų | 52 | 78.6 Ų | 78.6 | 32% | 0.319 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 153.7 | 162.9 | 66.8 | 0 | 0 | 0 | 0 | 109.7 | E80 E97 D98 A99 | E80-T95 CarbonylContact O-C 3.57Å; E80-T95 WeakPolarHBondContact O-CA 3.33Å; T95-E97 PolarHBondContact O-N 2.75Å; T95-D98 PolarHBondContact O-N 3.06Å; T95-D98 VanDerWaalsContact OG1-CB 3.29Å; T95-D98 WeakPolarHBondContact OG1-CB 3.47Å; T95-D98 PolarHBondContact OG1-N 2.91Å; T95-D98 VanDerWaalsContact OG1-N 3.07Å; T95-D98 PolarHBondContact OG1-OD2 3Å; T95-A99 WeakPolarHBondContact O-CB 3.49Å; T95-A99 PolarHBondContact O-N 3.23Å |
| 96 | A | 96.3 | Very high | 96.6 | Very high | 11 Ų | 11 | 78.3 Ų | 78.3 | 9% | 0.091 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -57.6 | -32.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E80 K100 | E80-A96 PolarHBondContact O-N 3.42Å; A96-K100 WeakPolarHBondContact O-CG 3.45Å; A96-K100 PolarHBondContact O-N 2.97Å; A96-K100 VanDerWaalsContact O-N 3.16Å |
| 97 | E | 95.8 | Very high | 96.8 | Very high | 106 Ų | 106 | 75.4 Ų | 75.4 | 50% | 0.495 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -73 | -48 | 176.7 | -163.7 | 59.5 | -158.7 | 0 | 0 | 112.2 | T95 A99 K100 D101 | T95-E97 PolarHBondContact O-N 2.75Å; E97-A99 PolarHBondContact O-N 3.34Å; E97-K100 WeakPolarHBondContact O-CB 3.32Å; E97-K100 PolarHBondContact O-N 2.92Å; E97-K100 IonicContact OE2-NZ 3.75Å; E97-K100 PolarHBondContact OE2-NZ 3.14Å; E97-D101 PolarHBondContact O-N 3.47Å; E97-D101 VanDerWaalsContact O-N 3.13Å |
| 98 | D | 97.8 | Very high | 97.2 | Very high | 82 Ų | 82 | 77.2 Ų | 77.2 | 44% | 0.439 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61 | -30.8 | 174.7 | -70.3 | -39 | 0 | 0 | 0 | 112.1 | K94 T95 F102 | K94-D98 HydrophobicContact CB-CB 4.18Å; K94-D98 HydrophobicContact CD-CB 4.21Å; T95-D98 PolarHBondContact O-N 3.06Å; T95-D98 VanDerWaalsContact OG1-CB 3.29Å; T95-D98 WeakPolarHBondContact OG1-CB 3.47Å; T95-D98 PolarHBondContact OG1-N 2.91Å; T95-D98 VanDerWaalsContact OG1-N 3.07Å; T95-D98 PolarHBondContact OG1-OD2 3Å; D98-F102 VanDerWaalsContact O-CB 3.29Å; D98-F102 WeakPolarHBondContact O-CB 3.4Å; D98-F102 PolarHBondContact O-N 3.5Å |
| 99 | A | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.1 | -41.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L50 V82 I84 K94 T95 E97 D101 F102 F103 | L50-A99 HydrophobicContact CD1-CB 3.61Å; L50-A99 HydrophobicContact CD2-CB 4.11Å; V82-A99 HydrophobicContact CG2-CB 3.51Å; I84-A99 HydrophobicContact CD1-CB 3.79Å; K94-A99 HydrophobicContact CB-CB 4.32Å; T95-A99 WeakPolarHBondContact O-CB 3.49Å; T95-A99 PolarHBondContact O-N 3.23Å; E97-A99 PolarHBondContact O-N 3.34Å; A99-D101 VanDerWaalsContact C-N 3.34Å; A99-D101 PolarHBondContact O-N 3.1Å; A99-F102 WeakPolarHBondContact O-CB 3.29Å; A99-F102 PolarHBondContact O-N 3.29Å; A99-F103 WeakPolarHBondContact O-CD2 3.34Å; A99-F103 PolarHBondContact O-N 2.98Å |
| 100 | K | 97.6 | Very high | 97.6 | Very high | 53 Ų | 53 | 74.3 Ų | 74.3 | 23% | 0.23 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 174.1 | -70.7 | 174.6 | -162.8 | 158 | 0 | 110.9 | L50 A96 E97 F102 F103 K104 | L50-K100 HydrophobicContact CB-CG 3.94Å; L50-K100 HydrophobicContact CD1-CB 4.28Å; L50-K100 HydrophobicContact CD1-CG 3.64Å; L50-K100 HydrophobicContact CG-CG 4.45Å; A96-K100 WeakPolarHBondContact O-CG 3.45Å; A96-K100 PolarHBondContact O-N 2.97Å; A96-K100 VanDerWaalsContact O-N 3.16Å; E97-K100 WeakPolarHBondContact O-CB 3.32Å; E97-K100 PolarHBondContact O-N 2.92Å; E97-K100 IonicContact OE2-NZ 3.75Å; E97-K100 PolarHBondContact OE2-NZ 3.14Å; K100-F102 VanDerWaalsContact C-N 3.35Å; K100-F103 PolarHBondContact O-N 3.31Å; K100-K104 VanDerWaalsContact O-CB 3.3Å; K100-K104 WeakPolarHBondContact O-CB 3.35Å; K100-K104 PolarHBondContact O-N 2.79Å |
| 101 | D | 97.8 | Very high | 97.7 | Very high | 83 Ų | 83 | 68.8 Ų | 68.8 | 44% | 0.444 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 177.3 | -84.9 | -10.8 | 0 | 0 | 0 | 112.5 | E97 A99 R105 | E97-D101 PolarHBondContact O-N 3.47Å; E97-D101 VanDerWaalsContact O-N 3.13Å; A99-D101 VanDerWaalsContact C-N 3.34Å; A99-D101 PolarHBondContact O-N 3.1Å; D101-R105 WeakPolarHBondContact O-CG 3.42Å; D101-R105 PolarHBondContact O-N 2.89Å |
| 102 | F | 97.6 | Very high | 97.7 | Very high | 33 Ų | 33 | 68.1 Ų | 68.1 | 15% | 0.145 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.5 | -53.7 | 172.3 | 173.9 | -91.9 | 0 | 0 | 0 | 111.3 | I84 K94 D98 A99 K100 K104 R105 K106 | I84-F102 HydrophobicContact CD1-CD1 3.89Å; I84-F102 HydrophobicContact CD1-CE1 4.38Å; I84-F102 HydrophobicContact CD1-CG 4.27Å; I84-F102 HydrophobicContact CG2-CD1 4.27Å; I84-F102 HydrophobicContact CG2-CE1 3.73Å; I84-F102 HydrophobicContact CG2-CZ 4.19Å; K94-F102 HydrophobicContact CD-CB 4.27Å; D98-F102 VanDerWaalsContact O-CB 3.29Å; D98-F102 WeakPolarHBondContact O-CB 3.4Å; D98-F102 PolarHBondContact O-N 3.5Å; A99-F102 WeakPolarHBondContact O-CB 3.29Å; A99-F102 PolarHBondContact O-N 3.29Å; K100-F102 VanDerWaalsContact C-N 3.35Å; F102-K104 PolarHBondContact O-N 2.94Å; F102-R105 PolarHBondContact O-N 3.15Å; F102-K106 HydrophobicContact CD1-CG 4.43Å; F102-K106 HydrophobicContact CE1-CG 4.07Å; F102-K106 HydrophobicContact CZ-CG 4.13Å; F102-K106 WeakPolarHBondContact O-CG 3.5Å; F102-K106 PolarHBondContact O-N 3.16Å; F102-K106 VanDerWaalsContact O-N 3.07Å |
| 103 | F | 97.9 | Very high | 97.7 | Very high | 22 Ų | 22 | 68 Ų | 68 | 10% | 0.096 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.8 | -38.1 | -179.7 | -71.8 | -63.1 | 0 | 0 | 0 | 112.2 | Y43 A46 K47 L50 I84 A99 K100 R105 K106 I107 | Y43-F103 AromaticContact CD1-CD1 3.84Å; Y43-F103 HydrophobicContact CD1-CD1 3.84Å; Y43-F103 AromaticContact CD1-CE1 3.86Å; Y43-F103 HydrophobicContact CD1-CE1 3.86Å; Y43-F103 HydrophobicContact CE1-CD1 4.48Å; Y43-F103 HydrophobicContact CE1-CE1 4.24Å; Y43-F103 HydrophobicContact CG-CD1 4.08Å; A46-F103 HydrophobicContact CB-CD1 4.28Å; A46-F103 HydrophobicContact CB-CD2 4.39Å; A46-F103 HydrophobicContact CB-CE1 3.95Å; A46-F103 HydrophobicContact CB-CE2 4.07Å; A46-F103 HydrophobicContact CB-CZ 3.84Å; K47-F103 HydrophobicContact CB-CB 3.8Å; K47-F103 HydrophobicContact CB-CG 4.45Å; K47-F103 HydrophobicContact CG-CB 4.14Å; L50-F103 HydrophobicContact CD1-CD2 3.9Å; L50-F103 HydrophobicContact CD1-CE2 4.21Å; I84-F103 HydrophobicContact CD1-CE2 4.12Å; I84-F103 HydrophobicContact CD1-CZ 4.32Å; I84-F103 HydrophobicContact CG2-CZ 4.22Å; A99-F103 WeakPolarHBondContact O-CD2 3.34Å; A99-F103 PolarHBondContact O-N 2.98Å; K100-F103 PolarHBondContact O-N 3.31Å; F103-R105 PolarHBondContact O-N 3.46Å; F103-K106 PolarHBondContact O-N 3.46Å; F103-K106 VanDerWaalsContact O-N 3.15Å; F103-I107 WeakPolarHBondContact O-CD1 3.46Å; F103-I107 VanDerWaalsContact O-CG1 3.23Å; F103-I107 WeakPolarHBondContact O-CG1 3.34Å; F103-I107 PolarHBondContact O-N 2.89Å |
| 104 | K | 98.1 | Very high | 97.7 | Very high | 104 Ų | 104 | 62.9 Ų | 62.9 | 45% | 0.452 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -55.2 | -50.6 | 173.3 | 177.3 | 171.3 | 170.3 | 46.4 | 0 | 111.5 | K100 F102 K106 I107 D108 | K100-K104 VanDerWaalsContact O-CB 3.3Å; K100-K104 WeakPolarHBondContact O-CB 3.35Å; K100-K104 PolarHBondContact O-N 2.79Å; F102-K104 PolarHBondContact O-N 2.94Å; K104-K106 VanDerWaalsContact C-N 3.3Å; K104-K106 PolarHBondContact O-N 2.94Å; K104-I107 PolarHBondContact O-N 3.26Å; K104-D108 IonicContact NZ-OD2 2.67Å; K104-D108 PolarHBondContact NZ-OD2 3.36Å; K104-D108 VanDerWaalsContact O-CG 3.28Å; K104-D108 PolarHBondContact O-N 3.3Å |
| 105 | R | 98.1 | Very high | 97.7 | Very high | 164 Ų | 164 | 66 Ų | 66 | 62% | 0.619 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -60.9 | -38.4 | 177.1 | -73.7 | -174.3 | -65.4 | 173.8 | -3.8 | 112.5 | D101 F102 F103 F109 | D101-R105 WeakPolarHBondContact O-CG 3.42Å; D101-R105 PolarHBondContact O-N 2.89Å; F102-R105 PolarHBondContact O-N 3.15Å; F103-R105 PolarHBondContact O-N 3.46Å; R105-F109 WeakPolarHBondContact O-CB 3.32Å; R105-F109 PolarHBondContact O-N 2.97Å |
| 106 | K | 97.4 | Very high | 97.6 | Very high | 86 Ų | 86 | 70.2 Ų | 70.2 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.7 | -41.9 | 176.9 | -69.4 | -69.6 | -176.3 | 175.5 | 0 | 112.4 | Y43 F102 F103 K104 F109 L110 | Y43-K106 HydrophobicContact CD2-CB 3.66Å; Y43-K106 HydrophobicContact CE2-CB 3.72Å; Y43-K106 HydrophobicContact CE2-CG 4.29Å; F102-K106 HydrophobicContact CD1-CG 4.43Å; F102-K106 HydrophobicContact CE1-CG 4.07Å; F102-K106 HydrophobicContact CZ-CG 4.13Å; F102-K106 WeakPolarHBondContact O-CG 3.5Å; F102-K106 PolarHBondContact O-N 3.16Å; F102-K106 VanDerWaalsContact O-N 3.07Å; F103-K106 PolarHBondContact O-N 3.46Å; F103-K106 VanDerWaalsContact O-N 3.15Å; K104-K106 VanDerWaalsContact C-N 3.3Å; K104-K106 PolarHBondContact O-N 2.94Å; K106-F109 PolarHBondContact O-N 2.91Å; K106-L110 WeakPolarHBondContact O-CG 3.46Å; K106-L110 PolarHBondContact O-N 3.43Å |
| 107 | I | 98.4 | Very high | 97.6 | Very high | 19 Ų | 19 | 71.4 Ų | 71.4 | 10% | 0.097 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.2 | -50.7 | 174.5 | -68.1 | 158.5 | 0 | 0 | 0 | 109.8 | Q40 V44 K47 F103 K104 F109 L110 T111 | Q40-I107 HydrophobicContact CG-CG2 4.2Å; V44-I107 HydrophobicContact CB-CD1 4.46Å; V44-I107 HydrophobicContact CG2-CD1 3.79Å; V44-I107 HydrophobicContact CG2-CG1 4.09Å; V44-I107 HydrophobicContact CG2-CG2 4.35Å; K47-I107 HydrophobicContact CB-CD1 4.44Å; K47-I107 HydrophobicContact CD-CD1 4.12Å; F103-I107 WeakPolarHBondContact O-CD1 3.46Å; F103-I107 VanDerWaalsContact O-CG1 3.23Å; F103-I107 WeakPolarHBondContact O-CG1 3.34Å; F103-I107 PolarHBondContact O-N 2.89Å; K104-I107 PolarHBondContact O-N 3.26Å; I107-F109 VanDerWaalsContact C-N 3.29Å; I107-F109 PolarHBondContact O-N 3.37Å; I107-L110 PolarHBondContact O-N 3.26Å; I107-L110 VanDerWaalsContact O-N 3.15Å; I107-T111 PolarHBondContact O-N 3.14Å; I107-T111 PolarHBondContact O-OG1 3.17Å |
| 108 | D | 98.5 | Very high | 97.6 | Very high | 66 Ų | 66 | 70.2 Ų | 70.2 | 35% | 0.353 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.4 | -38.6 | -179.6 | -67.5 | -18.3 | 0 | 0 | 0 | 111.3 | K104 K112 | K104-D108 IonicContact NZ-OD2 2.67Å; K104-D108 PolarHBondContact NZ-OD2 3.36Å; K104-D108 VanDerWaalsContact O-CG 3.28Å; K104-D108 PolarHBondContact O-N 3.3Å; D108-K112 WeakPolarHBondContact O-CG 3.44Å; D108-K112 PolarHBondContact O-N 3.23Å; D108-K112 VanDerWaalsContact O-N 3.1Å |
| 109 | F | 98.1 | Very high | 97.5 | Very high | 117 Ų | 117 | 69.7 Ų | 69.7 | 51% | 0.513 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.6 | -49.4 | 173 | 175.9 | -97 | 0 | 0 | 0 | 111.9 | R105 K106 I107 T111 K112 Q113 | R105-F109 WeakPolarHBondContact O-CB 3.32Å; R105-F109 PolarHBondContact O-N 2.97Å; K106-F109 PolarHBondContact O-N 2.91Å; I107-F109 VanDerWaalsContact C-N 3.29Å; I107-F109 PolarHBondContact O-N 3.37Å; F109-T111 VanDerWaalsContact C-N 3.34Å; F109-T111 PolarHBondContact O-N 3.41Å; F109-K112 PolarHBondContact O-N 3.25Å; F109-Q113 HydrophobicContact CD1-CG 4.21Å; F109-Q113 HydrophobicContact CE1-CG 3.81Å; F109-Q113 HydrophobicContact CE2-CG 4.15Å; F109-Q113 HydrophobicContact CZ-CG 3.78Å; F109-Q113 VanDerWaalsContact O-CG 3.32Å; F109-Q113 WeakPolarHBondContact O-CG 3.43Å; F109-Q113 PolarHBondContact O-N 3.5Å |
| 110 | L | 97.9 | Very high | 97.4 | Very high | 15 Ų | 15 | 71.4 Ų | 71.4 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 179.1 | -70.1 | 173.1 | 0 | 0 | 0 | 112.1 | L36 V39 Q40 Y43 K106 I107 K112 Q113 M114 | L36-L110 HydrophobicContact CD2-CD2 3.74Å; V39-L110 HydrophobicContact CB-CD1 4.2Å; V39-L110 HydrophobicContact CG1-CD1 3.8Å; Q40-L110 HydrophobicContact CB-CB 4.35Å; Q40-L110 HydrophobicContact CB-CD1 4.08Å; Y43-L110 HydrophobicContact CD2-CD1 3.62Å; Y43-L110 HydrophobicContact CE2-CD1 3.8Å; K106-L110 WeakPolarHBondContact O-CG 3.46Å; K106-L110 PolarHBondContact O-N 3.43Å; I107-L110 PolarHBondContact O-N 3.26Å; I107-L110 VanDerWaalsContact O-N 3.15Å; L110-K112 PolarHBondContact O-N 2.84Å; L110-Q113 PolarHBondContact O-N 3.28Å; L110-M114 WeakPolarHBondContact O-CG 3.47Å; L110-M114 PolarHBondContact O-N 3.37Å |
| 111 | T | 98.1 | Very high | 97.4 | Very high | 43 Ų | 43 | 70 Ų | 70 | 26% | 0.264 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -55.7 | -52.8 | 173.9 | -54.8 | 0 | 0 | 0 | 0 | 110.5 | Q40 I107 F109 Q113 M114 E115 | Q40-T111 PolarHBondContact NE2-OG1 3.45Å; I107-T111 PolarHBondContact O-N 3.14Å; I107-T111 PolarHBondContact O-OG1 3.17Å; F109-T111 VanDerWaalsContact C-N 3.34Å; F109-T111 PolarHBondContact O-N 3.41Å; T111-Q113 VanDerWaalsContact C-N 3.28Å; T111-Q113 PolarHBondContact O-N 2.82Å; T111-M114 PolarHBondContact O-N 2.94Å; T111-M114 VanDerWaalsContact O-N 3.17Å; T111-E115 HydrophobicContact CG2-CG 4.47Å; T111-E115 WeakPolarHBondContact O-CG 3.47Å; T111-E115 PolarHBondContact O-N 3.15Å |
| 112 | K | 98 | Very high | 97.3 | Very high | 129 Ų | 129 | 71.7 Ų | 71.7 | 56% | 0.561 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.5 | -35.7 | 179 | -72.1 | 175.4 | -178.7 | -179.9 | 0 | 112.7 | D108 F109 L110 K116 | D108-K112 WeakPolarHBondContact O-CG 3.44Å; D108-K112 PolarHBondContact O-N 3.23Å; D108-K112 VanDerWaalsContact O-N 3.1Å; F109-K112 PolarHBondContact O-N 3.25Å; L110-K112 PolarHBondContact O-N 2.84Å; K112-K116 WeakPolarHBondContact O-CG 3.3Å; K112-K116 PolarHBondContact O-N 3.07Å; K112-K116 VanDerWaalsContact O-N 3.12Å |
| 113 | Q | 97.5 | Very high | 97.3 | Very high | 58 Ų | 58 | 75.8 Ų | 75.8 | 27% | 0.271 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.6 | -41 | 177.1 | -69.7 | -60.6 | 107.8 | 0 | 0 | 111.5 | F109 L110 T111 K116 I117 | F109-Q113 HydrophobicContact CD1-CG 4.21Å; F109-Q113 HydrophobicContact CE1-CG 3.81Å; F109-Q113 HydrophobicContact CE2-CG 4.15Å; F109-Q113 HydrophobicContact CZ-CG 3.78Å; F109-Q113 VanDerWaalsContact O-CG 3.32Å; F109-Q113 WeakPolarHBondContact O-CG 3.43Å; F109-Q113 PolarHBondContact O-N 3.5Å; L110-Q113 PolarHBondContact O-N 3.28Å; T111-Q113 VanDerWaalsContact C-N 3.28Å; T111-Q113 PolarHBondContact O-N 2.82Å; Q113-K116 PolarHBondContact O-N 2.96Å; Q113-I117 WeakPolarHBondContact O-CD1 3.23Å; Q113-I117 VanDerWaalsContact O-CG1 3.32Å; Q113-I117 WeakPolarHBondContact O-CG1 3.33Å; Q113-I117 PolarHBondContact O-N 3.34Å |
| 114 | M | 97.6 | Very high | 97.2 | Very high | 20 Ų | 20 | 77.3 Ų | 77.3 | 10% | 0.099 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 173.2 | -68.9 | -175.8 | -67.9 | 0 | 0 | 111.8 | I33 L36 K37 Q40 L110 T111 K116 I117 Q118 | I33-M114 HydrophobicContact CG2-SD 4.43Å; L36-M114 HydrophobicContact CB-CG 3.67Å; L36-M114 HydrophobicContact CB-SD 3.87Å; L36-M114 HydrophobicContact CD1-CG 3.85Å; L36-M114 HydrophobicContact CG-CG 4.43Å; K37-M114 HydrophobicContact CB-SD 4.13Å; K37-M114 HydrophobicContact CD-CE 4.38Å; K37-M114 HydrophobicContact CD-SD 4.32Å; Q40-M114 HydrophobicContact CB-CE 4.43Å; L110-M114 WeakPolarHBondContact O-CG 3.47Å; L110-M114 PolarHBondContact O-N 3.37Å; T111-M114 PolarHBondContact O-N 2.94Å; T111-M114 VanDerWaalsContact O-N 3.17Å; M114-K116 PolarHBondContact O-N 3.44Å; M114-I117 PolarHBondContact O-N 3.02Å; M114-Q118 PolarHBondContact O-N 3.39Å |
| 115 | E | 97.4 | Very high | 97 | Very high | 122 Ų | 122 | 76.6 Ų | 76.6 | 57% | 0.57 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.4 | -29.3 | 176.4 | -73.8 | 171.9 | 173 | 0 | 0 | 113.3 | T111 P119 | T111-E115 HydrophobicContact CG2-CG 4.47Å; T111-E115 WeakPolarHBondContact O-CG 3.47Å; T111-E115 PolarHBondContact O-N 3.15Å; E115-P119 WeakPolarHBondContact O-CD 3.41Å |
| 116 | K | 95.5 | Very high | 96.9 | Very high | 141 Ų | 141 | 71.6 Ų | 71.6 | 61% | 0.613 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -75.2 | -29.8 | 173.4 | -73.1 | 171.9 | -174.2 | 172.8 | 0 | 113.2 | K112 Q113 M114 | K112-K116 WeakPolarHBondContact O-CG 3.3Å; K112-K116 PolarHBondContact O-N 3.07Å; K112-K116 VanDerWaalsContact O-N 3.12Å; Q113-K116 PolarHBondContact O-N 2.96Å; M114-K116 PolarHBondContact O-N 3.44Å |
| 117 | I | 96 | Very high | 96.8 | Very high | 36 Ų | 36 | 71.2 Ų | 71.2 | 19% | 0.185 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -83.3 | -32.8 | -178.4 | -61.4 | 165.5 | 0 | 0 | 0 | 110.5 | L29 I33 L36 Q113 M114 A120 L121 | L29-I117 HydrophobicContact CB-CG2 4.26Å; L29-I117 HydrophobicContact CD2-CG2 3.88Å; I33-I117 HydrophobicContact CD1-CB 4.21Å; I33-I117 HydrophobicContact CD1-CG2 3.74Å; I33-I117 HydrophobicContact CG1-CB 4.1Å; I33-I117 HydrophobicContact CG1-CG2 3.75Å; L36-I117 HydrophobicContact CD1-CD1 3.69Å; Q113-I117 WeakPolarHBondContact O-CD1 3.23Å; Q113-I117 VanDerWaalsContact O-CG1 3.32Å; Q113-I117 WeakPolarHBondContact O-CG1 3.33Å; Q113-I117 PolarHBondContact O-N 3.34Å; M114-I117 PolarHBondContact O-N 3.02Å; I117-A120 WeakPolarHBondContact O-CB 3.35Å; I117-A120 PolarHBondContact O-N 2.9Å; I117-A120 VanDerWaalsContact O-N 3.14Å; I117-L121 PolarHBondContact O-N 3.33Å |
| 118 | Q | 95.9 | Very high | 96.6 | Very high | 81 Ų | 81 | 72.2 Ų | 72.2 | 38% | 0.379 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -54.5 | -46.2 | -176.1 | -165.9 | 73.6 | 31.8 | 0 | 0 | 113.8 | M114 L121 Q122 | M114-Q118 PolarHBondContact O-N 3.39Å; Q118-L121 PolarHBondContact O-N 3.11Å; Q118-Q122 WeakPolarHBondContact O-CG 3.29Å; Q118-Q122 PolarHBondContact O-N 2.97Å |
| 119 | P | 96.9 | Very high | 96.4 | Very high | 72 Ų | 72 | 72.6 Ų | 72.6 | 47% | 0.468 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.7 | -39.2 | 177.8 | -21.8 | 34.3 | 0 | 0 | 0 | 112.5 | E115 L121 Q122 E123 | E115-P119 WeakPolarHBondContact O-CD 3.41Å; P119-L121 VanDerWaalsContact C-N 3.32Å; P119-L121 PolarHBondContact O-N 3.48Å; P119-Q122 PolarHBondContact O-N 3.25Å; P119-E123 WeakPolarHBondContact O-CB 3.48Å; P119-E123 PolarHBondContact O-N 3.44Å |
| 120 | A | 95.2 | Very high | 96.2 | Very high | 36 Ų | 36 | 68.7 Ų | 68.7 | 30% | 0.298 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L29 I117 E123 K124 | L29-A120 HydrophobicContact CD1-CB 4.43Å; I117-A120 WeakPolarHBondContact O-CB 3.35Å; I117-A120 PolarHBondContact O-N 2.9Å; I117-A120 VanDerWaalsContact O-N 3.14Å; A120-E123 PolarHBondContact O-N 3.42Å; A120-K124 WeakPolarHBondContact O-CB 3.41Å; A120-K124 WeakPolarHBondContact O-CG 3.34Å; A120-K124 PolarHBondContact O-N 3.09Å |
| 121 | L | 97.1 | Very high | 96 | Very high | 23 Ų | 23 | 68.1 Ų | 68.1 | 12% | 0.12 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62 | -44.6 | 174.1 | 175.2 | 60.6 | 0 | 0 | 0 | 111.7 | V26 L29 S30 I33 I117 Q118 P119 K124 H125 | V26-L121 HydrophobicContact CB-CD1 4.37Å; V26-L121 HydrophobicContact CG1-CD1 3.95Å; V26-L121 HydrophobicContact CG2-CD1 4.45Å; L29-L121 HydrophobicContact CB-CB 4.21Å; L29-L121 HydrophobicContact CB-CD1 4Å; L29-L121 HydrophobicContact CD1-CB 4.34Å; S30-L121 WeakPolarHBondContact OG-CD1 3.4Å; I33-L121 HydrophobicContact CD1-CD2 3.81Å; I117-L121 PolarHBondContact O-N 3.33Å; Q118-L121 PolarHBondContact O-N 3.11Å; P119-L121 VanDerWaalsContact C-N 3.32Å; P119-L121 PolarHBondContact O-N 3.48Å; L121-K124 PolarHBondContact O-N 3.21Å; L121-H125 WeakPolarHBondContact O-CB 3.38Å; L121-H125 PolarHBondContact O-N 2.93Å |
| 122 | Q | 96.8 | Very high | 95.8 | Very high | 118 Ų | 118 | 68.7 Ų | 68.7 | 55% | 0.551 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.8 | -43.6 | 177.8 | -73.7 | 174.3 | -23.7 | 0 | 0 | 112.1 | Q118 P119 H125 A126 | Q118-Q122 WeakPolarHBondContact O-CG 3.29Å; Q118-Q122 PolarHBondContact O-N 2.97Å; P119-Q122 PolarHBondContact O-N 3.25Å; Q122-H125 PolarHBondContact O-N 3.31Å; Q122-A126 WeakPolarHBondContact O-CB 3.43Å; Q122-A126 PolarHBondContact O-N 3.35Å |
| 123 | E | 96.2 | Very high | 95.6 | Very high | 120 Ų | 120 | 68.1 Ų | 68.1 | 56% | 0.561 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.1 | -49.1 | 176.1 | -176.1 | -177.9 | 179.9 | 0 | 0 | 110.9 | P119 A120 H125 A126 M127 | P119-E123 WeakPolarHBondContact O-CB 3.48Å; P119-E123 PolarHBondContact O-N 3.44Å; A120-E123 PolarHBondContact O-N 3.42Å; E123-H125 VanDerWaalsContact C-N 3.32Å; E123-H125 PolarHBondContact O-N 3.1Å; E123-A126 PolarHBondContact O-N 3.42Å; E123-A126 VanDerWaalsContact O-N 3.15Å; E123-M127 HydrophobicContact CG-SD 4.32Å; E123-M127 WeakPolarHBondContact O-CG 3.49Å; E123-M127 PolarHBondContact O-N 2.88Å |
| 124 | K | 95.8 | Very high | 95.4 | Very high | 54 Ų | 54 | 66.6 Ų | 66.6 | 24% | 0.235 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.3 | -38 | 178.3 | -66 | -63.9 | 179.7 | 165.1 | 0 | 112.5 | L22 E25 V26 L29 A120 L121 M127 K128 | L22-K124 HydrophobicContact CD2-CD 3.92Å; E25-K124 WeakPolarHBondContact OE2-CD 3.37Å; E25-K124 WeakPolarHBondContact OE2-CE 3.41Å; E25-K124 IonicContact OE2-NZ 2.67Å; E25-K124 PolarHBondContact OE2-NZ 3.27Å; V26-K124 HydrophobicContact CG2-CB 3.86Å; L29-K124 HydrophobicContact CD1-CG 4.13Å; A120-K124 WeakPolarHBondContact O-CB 3.41Å; A120-K124 WeakPolarHBondContact O-CG 3.34Å; A120-K124 PolarHBondContact O-N 3.09Å; L121-K124 PolarHBondContact O-N 3.21Å; K124-M127 HydrophobicContact CD-SD 4.17Å; K124-M127 PolarHBondContact O-N 2.84Å; K124-K128 WeakPolarHBondContact O-CB 3.33Å; K124-K128 PolarHBondContact O-N 3.21Å |
| 125 | H | 95.5 | Very high | 95.2 | Very high | 89 Ų | 89 | 67 Ų | 67 | 41% | 0.412 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 173.6 | -167.9 | -79.9 | 0 | 0 | 0 | 111.7 | L121 Q122 E123 K128 Q129 | L121-H125 WeakPolarHBondContact O-CB 3.38Å; L121-H125 PolarHBondContact O-N 2.93Å; Q122-H125 PolarHBondContact O-N 3.31Å; E123-H125 VanDerWaalsContact C-N 3.32Å; E123-H125 PolarHBondContact O-N 3.1Å; H125-K128 WeakPolarHBondContact O-CB 3.29Å; H125-K128 PolarHBondContact O-N 3.06Å; H125-Q129 PolarHBondContact CE1-NE2 2.95Å; H125-Q129 WeakPolarHBondContact O-CG 3.45Å; H125-Q129 PolarHBondContact O-N 3.36Å |
| 126 | A | 96 | Very high | 94.9 | Very high | 59 Ų | 59 | 63.9 Ų | 63.9 | 49% | 0.488 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q122 E123 K128 Q129 A130 | Q122-A126 WeakPolarHBondContact O-CB 3.43Å; Q122-A126 PolarHBondContact O-N 3.35Å; E123-A126 PolarHBondContact O-N 3.42Å; E123-A126 VanDerWaalsContact O-N 3.15Å; A126-K128 VanDerWaalsContact C-N 3.3Å; A126-K128 PolarHBondContact O-N 3.03Å; A126-Q129 PolarHBondContact O-N 2.87Å; A126-A130 PolarHBondContact O-N 3.16Å |
| 127 | M | 94.2 | Very high | 94.7 | Very high | 78 Ų | 78 | 61.6 Ų | 61.6 | 38% | 0.384 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58 | -43.8 | 174 | -69.5 | 177 | 74.5 | 0 | 0 | 111.4 | L22 E123 K124 Q129 A130 V131 | L22-M127 HydrophobicContact CD1-CB 4.16Å; L22-M127 HydrophobicContact CD2-CB 4.1Å; L22-M127 HydrophobicContact CD2-CE 4.49Å; E123-M127 HydrophobicContact CG-SD 4.32Å; E123-M127 WeakPolarHBondContact O-CG 3.49Å; E123-M127 PolarHBondContact O-N 2.88Å; K124-M127 HydrophobicContact CD-SD 4.17Å; K124-M127 PolarHBondContact O-N 2.84Å; M127-Q129 PolarHBondContact O-N 3.27Å; M127-A130 PolarHBondContact O-N 2.61Å; M127-V131 WeakPolarHBondContact O-CG2 3.42Å; M127-V131 PolarHBondContact O-N 3.18Å |
| 128 | K | 94.1 | Very high | 94.5 | Very high | 40 Ų | 40 | 61.9 Ų | 61.9 | 17% | 0.174 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 176.8 | 178 | -176.6 | 158.9 | 174.8 | 0 | 111.7 | L22 D23 K124 H125 A126 V131 M132 | L22-K128 HydrophobicContact CB-CB 4.09Å; L22-K128 HydrophobicContact CB-CG 4.49Å; L22-K128 HydrophobicContact CD1-CB 4.29Å; D23-K128 VanDerWaalsContact OD1-CD 3.24Å; D23-K128 WeakPolarHBondContact OD1-CD 3.4Å; D23-K128 WeakPolarHBondContact OD1-CE 3.3Å; D23-K128 IonicContact OD1-NZ 2.6Å; D23-K128 PolarHBondContact OD1-NZ 3.13Å; K124-K128 WeakPolarHBondContact O-CB 3.33Å; K124-K128 PolarHBondContact O-N 3.21Å; H125-K128 WeakPolarHBondContact O-CB 3.29Å; H125-K128 PolarHBondContact O-N 3.06Å; A126-K128 VanDerWaalsContact C-N 3.3Å; A126-K128 PolarHBondContact O-N 3.03Å; K128-V131 PolarHBondContact O-N 3.47Å; K128-M132 HydrophobicContact CG-CE 4.17Å; K128-M132 HydrophobicContact CG-SD 4.41Å; K128-M132 WeakPolarHBondContact O-CG 3.12Å; K128-M132 PolarHBondContact O-N 3.44Å |
| 129 | Q | 94.7 | Very high | 94.3 | Very high | 74 Ų | 74 | 62.1 Ų | 62.1 | 35% | 0.346 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.2 | -46 | 177.4 | -66.6 | -60.8 | -24.2 | 0 | 0 | 111.5 | H125 A126 M127 V131 M132 E133 | H125-Q129 PolarHBondContact CE1-NE2 2.95Å; H125-Q129 WeakPolarHBondContact O-CG 3.45Å; H125-Q129 PolarHBondContact O-N 3.36Å; A126-Q129 PolarHBondContact O-N 2.87Å; M127-Q129 PolarHBondContact O-N 3.27Å; Q129-V131 VanDerWaalsContact C-N 3.3Å; Q129-V131 PolarHBondContact O-N 3.47Å; Q129-M132 HydrophobicContact CG-CE 4.38Å; Q129-M132 PolarHBondContact O-N 3.36Å; Q129-M132 VanDerWaalsContact O-N 3.14Å; Q129-E133 WeakPolarHBondContact O-CG 3.37Å; Q129-E133 PolarHBondContact O-N 3.05Å |
| 130 | A | 94.1 | Very high | 94 | Very high | 34 Ų | 34 | 64.4 Ų | 64.4 | 28% | 0.281 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.3 | -40.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I7 A126 M127 E133 M134 | I7-A130 HydrophobicContact CD1-CB 3.87Å; A126-A130 PolarHBondContact O-N 3.16Å; M127-A130 PolarHBondContact O-N 2.61Å; A130-E133 PolarHBondContact O-N 3.14Å; A130-M134 WeakPolarHBondContact O-CB 3.29Å; A130-M134 VanDerWaalsContact O-CG 3.32Å; A130-M134 WeakPolarHBondContact O-CG 3.32Å; A130-M134 PolarHBondContact O-N 3.35Å |
| 131 | V | 94.2 | Very high | 93.6 | Very high | 3 Ų | 3 | 68.2 Ų | 68.2 | 2% | 0.018 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64 | -44.2 | 175.5 | 171 | 0 | 0 | 0 | 0 | 111.4 | I7 L15 L18 K19 L22 M127 K128 Q129 M134 M135 | I7-V131 HydrophobicContact CG2-CG2 4.23Å; L15-V131 HydrophobicContact CB-CG1 4.33Å; L15-V131 HydrophobicContact CD2-CG1 4.12Å; L15-V131 WeakPolarHBondContact O-CG1 2.96Å; L18-V131 HydrophobicContact CD2-CG2 3.56Å; L18-V131 HydrophobicContact CG-CG2 3.98Å; K19-V131 HydrophobicContact CB-CG1 4.04Å; L22-V131 HydrophobicContact CD1-CB 4.49Å; L22-V131 HydrophobicContact CD1-CG2 3.91Å; M127-V131 WeakPolarHBondContact O-CG2 3.42Å; M127-V131 PolarHBondContact O-N 3.18Å; K128-V131 PolarHBondContact O-N 3.47Å; Q129-V131 VanDerWaalsContact C-N 3.3Å; Q129-V131 PolarHBondContact O-N 3.47Å; V131-M134 PolarHBondContact O-N 2.99Å; V131-M135 HydrophobicContact CG1-SD 4.28Å; V131-M135 VanDerWaalsContact O-CG 3.32Å; V131-M135 WeakPolarHBondContact O-CG 3.5Å; V131-M135 PolarHBondContact O-N 3.12Å |
| 132 | M | 93.7 | Very high | 93.1 | Very high | 56 Ų | 56 | 72 Ų | 72 | 28% | 0.276 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 178.5 | -69.4 | -172.5 | -55.4 | 0 | 0 | 112.5 | K19 K128 Q129 M135 S136 | K19-M132 HydrophobicContact CD-CG 4.3Å; K19-M132 HydrophobicContact CG-CG 4.4Å; K128-M132 HydrophobicContact CG-CE 4.17Å; K128-M132 HydrophobicContact CG-SD 4.41Å; K128-M132 WeakPolarHBondContact O-CG 3.12Å; K128-M132 PolarHBondContact O-N 3.44Å; Q129-M132 HydrophobicContact CG-CE 4.38Å; Q129-M132 PolarHBondContact O-N 3.36Å; Q129-M132 VanDerWaalsContact O-N 3.14Å; M132-M135 PolarHBondContact O-N 3.35Å; M132-S136 PolarHBondContact O-N 2.74Å |
| 133 | E | 93.8 | Very high | 92.7 | Very high | 117 Ų | 117 | 70.7 Ų | 70.7 | 55% | 0.547 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 174 | -72.9 | 174.6 | -169.7 | 0 | 0 | 111.3 | Q129 A130 M135 S136 Q137 | Q129-E133 WeakPolarHBondContact O-CG 3.37Å; Q129-E133 PolarHBondContact O-N 3.05Å; A130-E133 PolarHBondContact O-N 3.14Å; E133-M135 VanDerWaalsContact C-N 3.34Å; E133-M135 PolarHBondContact O-N 2.98Å; E133-S136 WeakPolarHBondContact O-CB 3.45Å; E133-S136 PolarHBondContact O-N 2.78Å; E133-Q137 WeakPolarHBondContact O-CG 3.37Å; E133-Q137 PolarHBondContact O-N 3.24Å |
| 134 | M | 92.5 | Very high | 92.2 | Very high | 25 Ų | 25 | 67.9 Ų | 67.9 | 12% | 0.123 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 176 | -74.5 | -56.3 | -48.3 | 0 | 0 | 112.8 | I7 T8 L15 A130 V131 Q137 K138 | I7-M134 HydrophobicContact CB-CG 4.44Å; I7-M134 HydrophobicContact CD1-CG 3.67Å; I7-M134 HydrophobicContact CG1-CG 3.97Å; T8-M134 HydrophobicContact CG2-CE 4.08Å; T8-M134 HydrophobicContact CG2-SD 4.26Å; L15-M134 HydrophobicContact CD1-CB 4.3Å; L15-M134 HydrophobicContact CD2-CB 4.45Å; A130-M134 WeakPolarHBondContact O-CB 3.29Å; A130-M134 VanDerWaalsContact O-CG 3.32Å; A130-M134 WeakPolarHBondContact O-CG 3.32Å; A130-M134 PolarHBondContact O-N 3.35Å; V131-M134 PolarHBondContact O-N 2.99Å; M134-Q137 PolarHBondContact O-N 3.26Å; M134-K138 WeakPolarHBondContact O-CG 3.49Å; M134-K138 PolarHBondContact O-N 3.2Å |
| 135 | M | 92.7 | Very high | 91.5 | Very high | 29 Ų | 29 | 70.4 Ų | 70.4 | 14% | 0.143 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 173.4 | -71.9 | 177.6 | 76.3 | 0 | 0 | 111 | L12 L15 E16 K19 V131 M132 E133 Q137 K138 I139 | L12-M135 HydrophobicContact CD2-CB 4.38Å; L12-M135 HydrophobicContact CD2-CG 4.49Å; L15-M135 HydrophobicContact CB-CG 3.46Å; L15-M135 VanDerWaalsContact CB-CG 3.46Å; L15-M135 HydrophobicContact CB-SD 4.03Å; L15-M135 HydrophobicContact CD1-CG 3.86Å; L15-M135 HydrophobicContact CG-CG 4.23Å; E16-M135 HydrophobicContact CB-CE 3.92Å; E16-M135 HydrophobicContact CG-CE 4.4Å; K19-M135 HydrophobicContact CB-SD 4.3Å; K19-M135 HydrophobicContact CD-SD 4.19Å; V131-M135 HydrophobicContact CG1-SD 4.28Å; V131-M135 VanDerWaalsContact O-CG 3.32Å; V131-M135 WeakPolarHBondContact O-CG 3.5Å; V131-M135 PolarHBondContact O-N 3.12Å; M132-M135 PolarHBondContact O-N 3.35Å; E133-M135 VanDerWaalsContact C-N 3.34Å; E133-M135 PolarHBondContact O-N 2.98Å; M135-Q137 PolarHBondContact O-N 3.23Å; M135-K138 PolarHBondContact O-N 2.83Å; M135-I139 VanDerWaalsContact O-CG1 3.29Å; M135-I139 WeakPolarHBondContact O-CG1 3.35Å; M135-I139 PolarHBondContact O-N 3.05Å |
| 136 | S | 92.5 | Very high | 90.7 | Very high | 57 Ų | 57 | 68.1 Ų | 68.1 | 40% | 0.399 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59 | -45.1 | 178.2 | -172.9 | 0 | 0 | 0 | 0 | 111.9 | M132 E133 K138 I139 Q140 | M132-S136 PolarHBondContact O-N 2.74Å; E133-S136 WeakPolarHBondContact O-CB 3.45Å; E133-S136 PolarHBondContact O-N 2.78Å; S136-K138 PolarHBondContact O-N 2.88Å; S136-I139 PolarHBondContact O-N 2.97Å; S136-Q140 WeakPolarHBondContact O-CG 3.35Å; S136-Q140 PolarHBondContact O-N 2.89Å |
| 137 | Q | 91.7 | Very high | 89.7 | Confident | 92 Ų | 92 | 68.1 Ų | 68.1 | 43% | 0.43 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 176.2 | -70.7 | 177.6 | 13.3 | 0 | 0 | 112.3 | E133 M134 M135 Q140 Q141 | E133-Q137 WeakPolarHBondContact O-CG 3.37Å; E133-Q137 PolarHBondContact O-N 3.24Å; M134-Q137 PolarHBondContact O-N 3.26Å; M135-Q137 PolarHBondContact O-N 3.23Å; Q137-Q140 PolarHBondContact O-N 3.07Å; Q137-Q141 WeakPolarHBondContact O-CG 3.3Å; Q137-Q141 PolarHBondContact O-N 3.23Å |
| 138 | K | 90.2 | Very high | 88.7 | Confident | 42 Ų | 42 | 67 Ų | 67 | 18% | 0.183 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.7 | -37.3 | 178.4 | -74.9 | -177.1 | -170.1 | -101.2 | 0 | 112.3 | T8 L10 L12 L15 M134 M135 S136 Q141 L142 | T8-K138 PolarHBondContact O-NZ 3.42Å; L10-K138 WeakPolarHBondContact O-CE 3.33Å; L10-K138 PolarHBondContact O-NZ 2.74Å; L12-K138 HydrophobicContact CD2-CB 4.08Å; L12-K138 HydrophobicContact CG-CB 4.19Å; L15-K138 HydrophobicContact CD1-CD 3.73Å; M134-K138 WeakPolarHBondContact O-CG 3.49Å; M134-K138 PolarHBondContact O-N 3.2Å; M135-K138 PolarHBondContact O-N 2.83Å; S136-K138 PolarHBondContact O-N 2.88Å; K138-Q141 PolarHBondContact O-N 3.45Å; K138-L142 WeakPolarHBondContact O-CG 3.33Å; K138-L142 PolarHBondContact O-N 2.75Å |
| 139 | I | 91.6 | Very high | 87.5 | Confident | 86 Ų | 86 | 71.3 Ų | 71.3 | 44% | 0.441 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.2 | -46.3 | 174.6 | -68.2 | 165.1 | 0 | 0 | 0 | 110.3 | L12 M135 S136 Q141 L142 T143 | L12-I139 HydrophobicContact CD1-CG1 4.17Å; L12-I139 HydrophobicContact CD2-CD1 4.37Å; L12-I139 HydrophobicContact CD2-CG1 3.88Å; M135-I139 VanDerWaalsContact O-CG1 3.29Å; M135-I139 WeakPolarHBondContact O-CG1 3.35Å; M135-I139 PolarHBondContact O-N 3.05Å; S136-I139 PolarHBondContact O-N 2.97Å; I139-Q141 VanDerWaalsContact C-N 3.33Å; I139-Q141 PolarHBondContact O-N 2.99Å; I139-L142 PolarHBondContact O-N 3.34Å; I139-T143 HydrophobicContact CG2-CG2 4.46Å; I139-T143 WeakPolarHBondContact O-CG2 3.39Å; I139-T143 PolarHBondContact O-N 3.27Å; I139-T143 PolarHBondContact O-OG1 3.03Å |
| 140 | Q | 90.8 | Very high | 86.2 | Confident | 121 Ų | 121 | 70.8 Ų | 70.8 | 57% | 0.565 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61.6 | -38.4 | 177.4 | -71.4 | 175.2 | 7.4 | 0 | 0 | 112.8 | S136 Q137 T143 A144 | S136-Q140 WeakPolarHBondContact O-CG 3.35Å; S136-Q140 PolarHBondContact O-N 2.89Å; Q137-Q140 PolarHBondContact O-N 3.07Å; Q140-T143 WeakPolarHBondContact CA-OG1 3.1Å; Q140-T143 PolarHBondContact O-OG1 3.28Å; Q140-A144 WeakPolarHBondContact O-CB 3.48Å; Q140-A144 PolarHBondContact O-N 3.39Å |
| 141 | Q | 88 | Confident | 85 | Confident | 116 Ų | 116 | 74.1 Ų | 74.1 | 54% | 0.542 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 175.4 | -72.8 | 171.9 | 5.5 | 0 | 0 | 111.8 | Q137 K138 I139 A144 L145 | Q137-Q141 WeakPolarHBondContact O-CG 3.3Å; Q137-Q141 PolarHBondContact O-N 3.23Å; K138-Q141 PolarHBondContact O-N 3.45Å; I139-Q141 VanDerWaalsContact C-N 3.33Å; I139-Q141 PolarHBondContact O-N 2.99Å; Q141-A144 PolarHBondContact O-N 3.13Å; Q141-L145 WeakPolarHBondContact O-CB 3.2Å; Q141-L145 WeakPolarHBondContact O-CD1 3.47Å; Q141-L145 VanDerWaalsContact O-CG 3.24Å; Q141-L145 WeakPolarHBondContact O-CG 3.32Å; Q141-L145 PolarHBondContact O-N 2.88Å |
| 142 | L | 86.6 | Confident | 83.6 | Confident | 103 Ų | 103 | 78 Ų | 78 | 54% | 0.539 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.8 | -39.2 | 178.1 | -71.7 | 172.5 | 0 | 0 | 0 | 112.5 | L12 K138 I139 G146 | L12-L142 HydrophobicContact CD1-CD1 3.4Å; L12-L142 VanDerWaalsContact CD1-CD1 3.4Å; K138-L142 WeakPolarHBondContact O-CG 3.33Å; K138-L142 PolarHBondContact O-N 2.75Å; I139-L142 PolarHBondContact O-N 3.34Å; L142-G146 PolarHBondContact O-N 2.8Å |
| 143 | T | 87.3 | Confident | 82 | Confident | 89 Ų | 89 | 84.2 Ų | 84.2 | 55% | 0.546 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.5 | -39.8 | 176.7 | 57 | 0 | 0 | 0 | 0 | 111.9 | I139 Q140 G146 A147 | I139-T143 HydrophobicContact CG2-CG2 4.46Å; I139-T143 WeakPolarHBondContact O-CG2 3.39Å; I139-T143 PolarHBondContact O-N 3.27Å; I139-T143 PolarHBondContact O-OG1 3.03Å; Q140-T143 WeakPolarHBondContact CA-OG1 3.1Å; Q140-T143 PolarHBondContact O-OG1 3.28Å; T143-G146 PolarHBondContact O-N 2.82Å; T143-A147 WeakPolarHBondContact O-CB 3.4Å; T143-A147 PolarHBondContact O-N 3.07Å |
| 144 | A | 85.6 | Confident | 80.2 | Confident | 61 Ų | 61 | 85.4 Ų | 85.4 | 50% | 0.504 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q140 Q141 A147 A148 | Q140-A144 WeakPolarHBondContact O-CB 3.48Å; Q140-A144 PolarHBondContact O-N 3.39Å; Q141-A144 PolarHBondContact O-N 3.13Å; A144-A147 PolarHBondContact O-N 2.94Å; A144-A148 PolarHBondContact O-N 2.69Å |
| 145 | L | 81.6 | Confident | 79.6 | Confident | 108 Ų | 108 | 88.4 Ų | 88.4 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.1 | -41 | 175.7 | -74.3 | 165.5 | 0 | 0 | 0 | 112 | Q141 Q149 | Q141-L145 WeakPolarHBondContact O-CB 3.2Å; Q141-L145 WeakPolarHBondContact O-CD1 3.47Å; Q141-L145 VanDerWaalsContact O-CG 3.24Å; Q141-L145 WeakPolarHBondContact O-CG 3.32Å; Q141-L145 PolarHBondContact O-N 2.88Å; L145-Q149 WeakPolarHBondContact O-CG 3.35Å; L145-Q149 PolarHBondContact O-N 3.03Å |
| 146 | G | 78.5 | Confident | 78.9 | Confident | 40 Ų | 40 | 91.5 Ų | 91.5 | 41% | 0.412 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.1 | -41 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L142 T143 A150 | L142-G146 PolarHBondContact O-N 2.8Å; T143-G146 PolarHBondContact O-N 2.82Å; G146-A150 PolarHBondContact O-N 2.88Å; G146-A150 VanDerWaalsContact O-N 3.17Å |
| 147 | A | 75.4 | Confident | 78.1 | Confident | 59 Ų | 59 | 93.4 Ų | 93.4 | 49% | 0.488 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.2 | -43.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T143 A144 Q149 A150 T151 | T143-A147 WeakPolarHBondContact O-CB 3.4Å; T143-A147 PolarHBondContact O-N 3.07Å; A144-A147 PolarHBondContact O-N 2.94Å; A147-Q149 VanDerWaalsContact C-N 3.31Å; A147-Q149 PolarHBondContact O-N 2.86Å; A147-A150 PolarHBondContact O-N 2.85Å; A147-T151 PolarHBondContact O-N 2.96Å; A147-T151 VanDerWaalsContact O-N 3.08Å; A147-T151 PolarHBondContact O-OG1 2.9Å |
| 148 | A | 72 | Confident | 77.3 | Confident | 56 Ų | 56 | 93.5 Ų | 93.5 | 46% | 0.463 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.8 | -36.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A144 T151 A152 | A144-A148 PolarHBondContact O-N 2.69Å; A148-T151 WeakPolarHBondContact CA-OG1 3.18Å; A148-T151 PolarHBondContact O-OG1 3.21Å; A148-A152 WeakPolarHBondContact O-CB 3.46Å; A148-A152 PolarHBondContact O-N 2.76Å; A148-A152 VanDerWaalsContact O-N 3.14Å |
| 149 | Q | 69 | Low | 76.5 | Confident | 129 Ų | 129 | 96.8 Ų | 96.8 | 60% | 0.603 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.9 | -32.8 | 175.7 | -73.2 | -178.9 | -6.7 | 0 | 0 | 113 | L145 A147 K153 | L145-Q149 WeakPolarHBondContact O-CG 3.35Å; L145-Q149 PolarHBondContact O-N 3.03Å; A147-Q149 VanDerWaalsContact C-N 3.31Å; A147-Q149 PolarHBondContact O-N 2.86Å; Q149-K153 WeakPolarHBondContact O-CG 3.4Å; Q149-K153 PolarHBondContact O-N 2.91Å |
| 150 | A | 68.5 | Low | 75.5 | Confident | 64 Ų | 64 | 97.5 Ų | 97.5 | 53% | 0.529 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.7 | -41.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | G146 A147 A152 K153 A154 | G146-A150 PolarHBondContact O-N 2.88Å; G146-A150 VanDerWaalsContact O-N 3.17Å; A147-A150 PolarHBondContact O-N 2.85Å; A150-A152 PolarHBondContact O-N 3.25Å; A150-K153 PolarHBondContact O-N 2.82Å; A150-A154 PolarHBondContact O-N 3.06Å |
| 151 | T | 68.5 | Low | 74.4 | Confident | 104 Ų | 104 | 95.8 Ų | 95.8 | 64% | 0.638 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.6 | -29.1 | 176.7 | 48.4 | 0 | 0 | 0 | 0 | 113.7 | A147 A148 K153 | A147-T151 PolarHBondContact O-N 2.96Å; A147-T151 VanDerWaalsContact O-N 3.08Å; A147-T151 PolarHBondContact O-OG1 2.9Å; A148-T151 WeakPolarHBondContact CA-OG1 3.18Å; A148-T151 PolarHBondContact O-OG1 3.21Å; T151-K153 VanDerWaalsContact C-N 3.33Å |
| 152 | A | 64.3 | Low | 73.4 | Confident | 84 Ų | 84 | 94.2 Ų | 94.2 | 69% | 0.694 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -80.4 | -13 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A148 A150 | A148-A152 WeakPolarHBondContact O-CB 3.46Å; A148-A152 PolarHBondContact O-N 2.76Å; A148-A152 VanDerWaalsContact O-N 3.14Å; A150-A152 PolarHBondContact O-N 3.25Å |
| 153 | K | 61.6 | Low | 72.3 | Confident | 187 Ų | 187 | 93.5 Ų | 93.5 | 81% | 0.813 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -101.2 | -8.9 | 178.4 | -75.5 | -175.7 | 177.7 | -178.5 | 0 | 113.8 | Q149 A150 T151 | Q149-K153 WeakPolarHBondContact O-CG 3.4Å; Q149-K153 PolarHBondContact O-N 2.91Å; A150-K153 PolarHBondContact O-N 2.82Å; T151-K153 VanDerWaalsContact C-N 3.33Å |
| 154 | A | 55.1 | Low | 70.9 | Confident | 141 Ų | 141 | 93.9 Ų | 93.9 | 100% | 1.165 | 63% | 0.625 | S | S | * | * | trans | -93.1 | 0 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | A150 | A150-A154 PolarHBondContact O-N 3.06Š|
Retrieved 154 of 154 residues in 723 ms
(Link to these results)