| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.3 | Very low | 59.2 | Low | 248 Ų | 248 | 118.9 Ų | 118.9 | 100% | 1.222 | 70% | 0.701 | S | S | * | * | 0 | 132.9 | 0 | -72.9 | 166.9 | 165 | 0 | 0 | 107.4 | |||||
| 2 | V | 40.4 | Very low | 60.9 | Low | 144 Ų | 144 | 121 Ų | 121 | 87% | 0.873 | 71% | 0.705 | S | S | * | * | trans | -108.1 | 138.2 | 169.5 | -179.4 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 3 | E | 46.1 | Very low | 62.8 | Low | 168 Ų | 168 | 121.8 Ų | 121.8 | 79% | 0.785 | 70% | 0.695 | S | S | * | * | trans | -65.9 | 144.2 | 178.3 | -67.9 | -176.1 | 115.6 | 0 | 0 | 111 | T5 | E3-T5 PolarHBondContact O-N 3.29Š| ||
| 4 | P | 50.7 | Low | 64.2 | Low | 129 Ų | 129 | 119.5 Ų | 119.5 | 84% | 0.838 | 68% | 0.675 | S | S | * | * | trans | -70.4 | 96.4 | 170.8 | 30 | -32.4 | 0 | 0 | 0 | 108.9 | A6 | P4-A6 PolarHBondContact O-N 3.21Š| ||
| 5 | T | 54.1 | Low | 65.6 | Low | 95 Ų | 95 | 116.3 Ų | 116.3 | 58% | 0.583 | 65% | 0.652 | S | S | * | * | trans | -56.7 | 122.8 | 171.9 | 35.6 | 0 | 0 | 0 | 0 | 109.7 | E3 H7 | E3-T5 PolarHBondContact O-N 3.29Å; T5-H7 PolarHBondContact O-CD2 2.97Å; T5-H7 PolarHBondContact O-N 3.26Å; T5-H7 PolarHBondContact O-NE2 2.99Å; T5-H7 PolarHBondContact OG1-CE1 3.23Å; T5-H7 VanDerWaalsContact OG1-CE1 3.23Å; T5-H7 PolarHBondContact OG1-NE2 3.35Å | ||
| 6 | A | 60.4 | Low | 66.9 | Low | 104 Ų | 104 | 116.4 Ų | 116.4 | 86% | 0.86 | 65% | 0.651 | S | S | * | * | trans | -71 | 91.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | P4 S8 | P4-A6 PolarHBondContact O-N 3.21Å; A6-S8 PolarHBondContact O-N 2.97Å | ||
| 7 | H | 60.8 | Low | 68.2 | Low | 84 Ų | 84 | 115.5 Ų | 115.5 | 39% | 0.389 | 64% | 0.64 | S | S | . | * | trans | -71.4 | 113.5 | 177.4 | -59.1 | -77.5 | 0 | 0 | 0 | 109.8 | T5 F9 Y18 | T5-H7 PolarHBondContact O-CD2 2.97Å; T5-H7 PolarHBondContact O-N 3.26Å; T5-H7 PolarHBondContact O-NE2 2.99Å; T5-H7 PolarHBondContact OG1-CE1 3.23Å; T5-H7 VanDerWaalsContact OG1-CE1 3.23Å; T5-H7 PolarHBondContact OG1-NE2 3.35Å; H7-F9 HydrophobicContact CB-CE1 4.01Å; H7-F9 HydrophobicContact CB-CE2 3.68Å; H7-F9 HydrophobicContact CB-CZ 3.37Å; H7-F9 WeakPolarHBondContact O-CE2 3.39Å; H7-Y18 AromaticContact CD2-CE1 3.88Å; H7-Y18 AromaticContact CD2-CZ 3.93Å; H7-Y18 AromaticContact CE1-CZ 3.93Å; H7-Y18 PolarHBondContact CE1-OH 2.92Å; H7-Y18 VanDerWaalsContact CE1-OH 3.29Å; H7-Y18 AromaticContact NE2-CZ 3.75Å; H7-Y18 PolarHBondContact NE2-OH 2.96Å | ||
| 8 | S | 69.5 | Low | 69.4 | Low | 119 Ų | 119 | 111.9 Ų | 111.9 | 83% | 0.832 | 62% | 0.616 | S | S | * | * | trans | -96.4 | 112.3 | 173.3 | -176.2 | 0 | 0 | 0 | 0 | 109 | A6 | A6-S8 PolarHBondContact O-N 2.97Š| ||
| 9 | F | 77.1 | Confident | 70.5 | Confident | 49 Ų | 49 | 113.7 Ų | 113.7 | 22% | 0.215 | 61% | 0.612 | C | S | . | * | trans | -92.1 | 132.7 | -173.9 | -59.2 | -79.3 | 0 | 0 | 0 | 111.7 | H7 S11 E15 Y18 | H7-F9 HydrophobicContact CB-CE1 4.01Å; H7-F9 HydrophobicContact CB-CE2 3.68Å; H7-F9 HydrophobicContact CB-CZ 3.37Å; H7-F9 WeakPolarHBondContact O-CE2 3.39Å; F9-S11 PolarHBondContact O-N 3.29Å; F9-E15 HydrophobicContact CB-CB 3.86Å; F9-E15 HydrophobicContact CD1-CB 4.12Å; F9-E15 HydrophobicContact CD2-CB 3.49Å; F9-E15 VanDerWaalsContact CD2-CB 3.49Å; F9-E15 HydrophobicContact CD2-CG 3.52Å; F9-E15 HydrophobicContact CE2-CB 4.03Å; F9-E15 HydrophobicContact CE2-CG 3.67Å; F9-E15 HydrophobicContact CG-CB 3.53Å; F9-E15 HydrophobicContact CG-CG 4.11Å; F9-E15 HydrophobicContact CZ-CG 4.38Å; F9-Y18 AromaticContact CE1-CD1 3.76Å; F9-Y18 HydrophobicContact CE1-CD1 3.76Å; F9-Y18 HydrophobicContact CE1-CD2 4.47Å; F9-Y18 AromaticContact CE1-CG 3.69Å; F9-Y18 HydrophobicContact CE1-CG 3.69Å; F9-Y18 AromaticContact CZ-CD1 3.42Å; F9-Y18 HydrophobicContact CZ-CD1 3.42Å; F9-Y18 VanDerWaalsContact CZ-CD1 3.42Å; F9-Y18 HydrophobicContact CZ-CE1 4.03Å; F9-Y18 AromaticContact CZ-CG 3.87Å; F9-Y18 HydrophobicContact CZ-CG 3.87Å | ||
| 10 | P | 74.8 | Confident | 71.6 | Confident | 121 Ų | 121 | 115.2 Ų | 115.2 | 79% | 0.786 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -63.4 | -22.9 | 174.9 | -19.7 | 31 | 0 | 0 | 0 | 113.5 | E14 | P10-E14 WeakPolarHBondContact CB-OE2 3.47Å; P10-E14 WeakPolarHBondContact CD-OE2 3.37Å |
| 11 | S | 79.8 | Confident | 72.7 | Confident | 47 Ų | 47 | 114.1 Ų | 114.1 | 33% | 0.329 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -149.8 | 153.8 | 173.2 | 68.9 | 0 | 0 | 0 | 0 | 113.3 | F9 K13 E14 E15 | F9-S11 PolarHBondContact O-N 3.29Å; S11-K13 PolarHBondContact O-N 2.96Å; S11-K13 VanDerWaalsContact O-N 3.1Å; S11-E14 PolarHBondContact N-OE2 3.02Å; S11-E14 PolarHBondContact O-N 3.35Å; S11-E14 VanDerWaalsContact O-N 3.1Å; S11-E14 WeakPolarHBondContact OG-CG 3.36Å; S11-E14 PolarHBondContact OG-N 3.12Å; S11-E14 PolarHBondContact OG-OE2 2.77Å; S11-E15 PolarHBondContact O-N 3.1Å; S11-E15 VanDerWaalsContact O-N 3.12Å |
| 12 | L | 79.8 | Confident | 75.4 | Confident | 144 Ų | 144 | 104.5 Ų | 104.5 | 75% | 0.754 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -56.5 | -22.6 | 171.3 | -76.2 | 166.2 | 0 | 0 | 0 | 113.5 | L16 | L12-L16 WeakPolarHBondContact O-CB 3.5Å; L12-L16 PolarHBondContact O-N 3.1Å; L12-L16 VanDerWaalsContact O-N 3.16Å |
| 13 | K | 85.6 | Confident | 78 | Confident | 132 Ų | 132 | 100.5 Ų | 100.5 | 57% | 0.574 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -73.9 | -42.3 | 177 | -175.4 | 179.7 | 176.1 | -64.6 | 0 | 111.4 | S11 L16 E17 | S11-K13 PolarHBondContact O-N 2.96Å; S11-K13 VanDerWaalsContact O-N 3.1Å; K13-L16 PolarHBondContact O-N 2.93Å; K13-E17 WeakPolarHBondContact CE-OE1 3.41Å; K13-E17 VanDerWaalsContact NZ-CD 3.3Å; K13-E17 IonicContact NZ-OE1 3.56Å; K13-E17 PolarHBondContact NZ-OE1 3.16Å; K13-E17 IonicContact NZ-OE2 2.62Å; K13-E17 PolarHBondContact NZ-OE2 2.94Å; K13-E17 WeakPolarHBondContact O-CB 3.29Å; K13-E17 WeakPolarHBondContact O-CG 3.47Å; K13-E17 PolarHBondContact O-N 3.41Å |
| 14 | E | 82.2 | Confident | 80.3 | Confident | 89 Ų | 89 | 98.6 Ų | 98.6 | 42% | 0.416 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.7 | -34.2 | 177.6 | -68.5 | 157.6 | 144.2 | 0 | 0 | 111.5 | P10 S11 Y18 | P10-E14 WeakPolarHBondContact CB-OE2 3.47Å; P10-E14 WeakPolarHBondContact CD-OE2 3.37Å; S11-E14 PolarHBondContact N-OE2 3.02Å; S11-E14 PolarHBondContact O-N 3.35Å; S11-E14 VanDerWaalsContact O-N 3.1Å; S11-E14 WeakPolarHBondContact OG-CG 3.36Å; S11-E14 PolarHBondContact OG-N 3.12Å; S11-E14 PolarHBondContact OG-OE2 2.77Å; E14-Y18 VanDerWaalsContact O-CB 3.29Å; E14-Y18 WeakPolarHBondContact O-CB 3.19Å; E14-Y18 PolarHBondContact O-N 2.87Å |
| 15 | E | 85.1 | Confident | 82.5 | Confident | 71 Ų | 71 | 95.8 Ų | 95.8 | 33% | 0.332 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.6 | -48.7 | 169.5 | -179.1 | 161.1 | -153.4 | 0 | 0 | 111.8 | F9 S11 Y18 W19 | F9-E15 HydrophobicContact CB-CB 3.86Å; F9-E15 HydrophobicContact CD1-CB 4.12Å; F9-E15 HydrophobicContact CD2-CB 3.49Å; F9-E15 VanDerWaalsContact CD2-CB 3.49Å; F9-E15 HydrophobicContact CD2-CG 3.52Å; F9-E15 HydrophobicContact CE2-CB 4.03Å; F9-E15 HydrophobicContact CE2-CG 3.67Å; F9-E15 HydrophobicContact CG-CB 3.53Å; F9-E15 HydrophobicContact CG-CG 4.11Å; F9-E15 HydrophobicContact CZ-CG 4.38Å; S11-E15 PolarHBondContact O-N 3.1Å; S11-E15 VanDerWaalsContact O-N 3.12Å; E15-Y18 PolarHBondContact O-N 3.36Å; E15-W19 PolarHBondContact O-N 3.2Å |
| 16 | L | 87.4 | Confident | 84.5 | Confident | 119 Ų | 119 | 97.1 Ų | 97.1 | 62% | 0.623 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.6 | -41.1 | 179.7 | -161.3 | 163.3 | 0 | 0 | 0 | 111.3 | L12 K13 K20 | L12-L16 WeakPolarHBondContact O-CB 3.5Å; L12-L16 PolarHBondContact O-N 3.1Å; L12-L16 VanDerWaalsContact O-N 3.16Å; K13-L16 PolarHBondContact O-N 2.93Å; L16-K20 WeakPolarHBondContact O-CB 3.46Å; L16-K20 PolarHBondContact O-N 2.97Å |
| 17 | E | 87.6 | Confident | 86.2 | Confident | 100 Ų | 100 | 97.5 Ų | 97.5 | 47% | 0.467 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 175 | -78.7 | 171.5 | -167.1 | 0 | 0 | 112.4 | K13 K20 E21 | K13-E17 WeakPolarHBondContact CE-OE1 3.41Å; K13-E17 VanDerWaalsContact NZ-CD 3.3Å; K13-E17 IonicContact NZ-OE1 3.56Å; K13-E17 PolarHBondContact NZ-OE1 3.16Å; K13-E17 IonicContact NZ-OE2 2.62Å; K13-E17 PolarHBondContact NZ-OE2 2.94Å; K13-E17 WeakPolarHBondContact O-CB 3.29Å; K13-E17 WeakPolarHBondContact O-CG 3.47Å; K13-E17 PolarHBondContact O-N 3.41Å; E17-K20 PolarHBondContact O-N 3.36Å; E17-E21 WeakPolarHBondContact O-CB 3.47Å; E17-E21 PolarHBondContact O-N 3.43Å |
| 18 | Y | 89.8 | Confident | 87.9 | Confident | 52 Ų | 52 | 98.2 Ų | 98.2 | 20% | 0.204 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -62.9 | -50.4 | 174.5 | 176.3 | -101.8 | 0 | 0 | 0 | 112.7 | H7 F9 E14 E15 K20 E21 Q22 | H7-Y18 AromaticContact CD2-CE1 3.88Å; H7-Y18 AromaticContact CD2-CZ 3.93Å; H7-Y18 AromaticContact CE1-CZ 3.93Å; H7-Y18 PolarHBondContact CE1-OH 2.92Å; H7-Y18 VanDerWaalsContact CE1-OH 3.29Å; H7-Y18 AromaticContact NE2-CZ 3.75Å; H7-Y18 PolarHBondContact NE2-OH 2.96Å; F9-Y18 AromaticContact CE1-CD1 3.76Å; F9-Y18 HydrophobicContact CE1-CD1 3.76Å; F9-Y18 HydrophobicContact CE1-CD2 4.47Å; F9-Y18 AromaticContact CE1-CG 3.69Å; F9-Y18 HydrophobicContact CE1-CG 3.69Å; F9-Y18 AromaticContact CZ-CD1 3.42Å; F9-Y18 HydrophobicContact CZ-CD1 3.42Å; F9-Y18 VanDerWaalsContact CZ-CD1 3.42Å; F9-Y18 HydrophobicContact CZ-CE1 4.03Å; F9-Y18 AromaticContact CZ-CG 3.87Å; F9-Y18 HydrophobicContact CZ-CG 3.87Å; E14-Y18 VanDerWaalsContact O-CB 3.29Å; E14-Y18 WeakPolarHBondContact O-CB 3.19Å; E14-Y18 PolarHBondContact O-N 2.87Å; E15-Y18 PolarHBondContact O-N 3.36Å; Y18-K20 VanDerWaalsContact C-N 3.26Å; Y18-K20 PolarHBondContact O-N 3.23Å; Y18-E21 PolarHBondContact O-N 2.88Å; Y18-Q22 HydrophobicContact CD1-CG 4.33Å; Y18-Q22 HydrophobicContact CD2-CG 4.33Å; Y18-Q22 HydrophobicContact CE1-CG 3.93Å; Y18-Q22 HydrophobicContact CE2-CG 3.9Å; Y18-Q22 WeakPolarHBondContact O-CG 3.41Å; Y18-Q22 PolarHBondContact O-N 3.34Å; Y18-Q22 PolarHBondContact OH-NE2 3.29Å |
| 19 | W | 91.4 | Very high | 89.2 | Confident | 146 Ų | 146 | 99.1 Ų | 99.1 | 55% | 0.553 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.9 | -32.6 | 178.5 | -74.8 | 117.5 | 0 | 0 | 0 | 112.2 | E15 A23 | E15-W19 PolarHBondContact O-N 3.2Å; W19-A23 VanDerWaalsContact O-CB 3.27Å; W19-A23 WeakPolarHBondContact O-CB 3.27Å; W19-A23 PolarHBondContact O-N 3.43Å |
| 20 | K | 93 | Very high | 90.1 | Very high | 142 Ų | 142 | 99.2 Ų | 99.2 | 62% | 0.617 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.7 | -43.5 | 172.2 | -173.7 | -174.8 | 176.5 | -171.7 | 0 | 112.1 | L16 E17 Y18 A23 Q24 | L16-K20 WeakPolarHBondContact O-CB 3.46Å; L16-K20 PolarHBondContact O-N 2.97Å; E17-K20 PolarHBondContact O-N 3.36Å; Y18-K20 VanDerWaalsContact C-N 3.26Å; Y18-K20 PolarHBondContact O-N 3.23Å; K20-A23 PolarHBondContact O-N 2.89Å; K20-Q24 WeakPolarHBondContact O-CB 3.44Å; K20-Q24 PolarHBondContact O-N 2.88Å |
| 21 | E | 93.5 | Very high | 91.2 | Very high | 94 Ų | 94 | 96.8 Ų | 96.8 | 44% | 0.439 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 176.6 | -163.5 | -162.2 | 174.5 | 0 | 0 | 111.3 | E17 Y18 Q24 K25 | E17-E21 WeakPolarHBondContact O-CB 3.47Å; E17-E21 PolarHBondContact O-N 3.43Å; Y18-E21 PolarHBondContact O-N 2.88Å; E21-Q24 PolarHBondContact O-N 3.41Å; E21-K25 WeakPolarHBondContact O-CG 3.34Å; E21-K25 PolarHBondContact O-N 2.61Å; E21-K25 WeakPolarHBondContact OE1-CE 3.38Å; E21-K25 IonicContact OE1-NZ 3.28Å; E21-K25 PolarHBondContact OE1-NZ 3.31Å; E21-K25 IonicContact OE2-NZ 2.61Å |
| 22 | Q | 93.9 | Very high | 92.1 | Very high | 46 Ų | 46 | 98.9 Ų | 98.9 | 22% | 0.215 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -67.6 | -41.3 | 175.7 | -67 | -69.4 | 24.8 | 0 | 0 | 111.9 | Y18 Q24 K25 H26 | Y18-Q22 HydrophobicContact CD1-CG 4.33Å; Y18-Q22 HydrophobicContact CD2-CG 4.33Å; Y18-Q22 HydrophobicContact CE1-CG 3.93Å; Y18-Q22 HydrophobicContact CE2-CG 3.9Å; Y18-Q22 WeakPolarHBondContact O-CG 3.41Å; Y18-Q22 PolarHBondContact O-N 3.34Å; Y18-Q22 PolarHBondContact OH-NE2 3.29Å; Q22-Q24 VanDerWaalsContact C-N 3.3Å; Q22-Q24 PolarHBondContact O-N 3.28Å; Q22-K25 PolarHBondContact O-N 2.92Å; Q22-H26 WeakPolarHBondContact O-CB 3.13Å; Q22-H26 PolarHBondContact O-CD2 2.62Å; Q22-H26 VanDerWaalsContact O-CD2 3.23Å; Q22-H26 PolarHBondContact O-N 2.85Å |
| 23 | A | 94.6 | Very high | 92.9 | Very high | 60 Ų | 60 | 94.4 Ų | 94.4 | 50% | 0.496 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.3 | -42.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | W19 K20 H26 Q27 | W19-A23 VanDerWaalsContact O-CB 3.27Å; W19-A23 WeakPolarHBondContact O-CB 3.27Å; W19-A23 PolarHBondContact O-N 3.43Å; K20-A23 PolarHBondContact O-N 2.89Å; A23-H26 PolarHBondContact O-N 2.86Å; A23-Q27 WeakPolarHBondContact O-CB 3.41Å; A23-Q27 PolarHBondContact O-N 3.24Å |
| 24 | Q | 95.8 | Very high | 93.5 | Very high | 128 Ų | 128 | 93.9 Ų | 93.9 | 60% | 0.598 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.7 | -41.4 | 175 | -174.8 | 174.9 | -10.4 | 0 | 0 | 112.4 | K20 E21 Q22 H26 Q27 Q28 | K20-Q24 WeakPolarHBondContact O-CB 3.44Å; K20-Q24 PolarHBondContact O-N 2.88Å; E21-Q24 PolarHBondContact O-N 3.41Å; Q22-Q24 VanDerWaalsContact C-N 3.3Å; Q22-Q24 PolarHBondContact O-N 3.28Å; Q24-H26 VanDerWaalsContact C-N 3.34Å; Q24-Q27 PolarHBondContact O-N 2.94Å; Q24-Q28 WeakPolarHBondContact O-CB 3.42Å; Q24-Q28 PolarHBondContact O-N 2.91Å |
| 25 | K | 95.9 | Very high | 94.2 | Very high | 70 Ų | 70 | 95.6 Ų | 95.6 | 30% | 0.304 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.4 | -29.4 | 174.7 | -73.2 | 169.9 | -175.8 | 165.5 | 0 | 113.4 | E21 Q22 R29 | E21-K25 WeakPolarHBondContact O-CG 3.34Å; E21-K25 PolarHBondContact O-N 2.61Å; E21-K25 WeakPolarHBondContact OE1-CE 3.38Å; E21-K25 IonicContact OE1-NZ 3.28Å; E21-K25 PolarHBondContact OE1-NZ 3.31Å; E21-K25 IonicContact OE2-NZ 2.61Å; Q22-K25 PolarHBondContact O-N 2.92Å; K25-R29 WeakPolarHBondContact O-CG 3.42Å; K25-R29 PolarHBondContact O-N 3.42Å |
| 26 | H | 95.8 | Very high | 94.8 | Very high | 123 Ų | 123 | 99 Ų | 99 | 57% | 0.569 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -77.5 | -37.7 | 174 | -84.8 | -72.4 | 0 | 0 | 0 | 112.1 | Q22 A23 Q24 A30 | Q22-H26 WeakPolarHBondContact O-CB 3.13Å; Q22-H26 PolarHBondContact O-CD2 2.62Å; Q22-H26 VanDerWaalsContact O-CD2 3.23Å; Q22-H26 PolarHBondContact O-N 2.85Å; A23-H26 PolarHBondContact O-N 2.86Å; Q24-H26 VanDerWaalsContact C-N 3.34Å; H26-A30 WeakPolarHBondContact O-CB 3.38Å; H26-A30 PolarHBondContact O-N 2.86Å; H26-A30 VanDerWaalsContact O-N 3.11Å |
| 27 | Q | 96.6 | Very high | 95.3 | Very high | 112 Ų | 112 | 97.9 Ų | 97.9 | 52% | 0.523 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.2 | -54.4 | 170.7 | -174.4 | 62.3 | 55 | 0 | 0 | 110.3 | A23 Q24 R29 A30 D31 | A23-Q27 WeakPolarHBondContact O-CB 3.41Å; A23-Q27 PolarHBondContact O-N 3.24Å; Q24-Q27 PolarHBondContact O-N 2.94Å; Q27-R29 VanDerWaalsContact C-N 3.32Å; Q27-R29 PolarHBondContact O-N 3.24Å; Q27-A30 CarbonylContact O-C 3.54Å; Q27-A30 WeakPolarHBondContact O-CA 3.24Å; Q27-A30 WeakPolarHBondContact O-CB 3.45Å; Q27-A30 PolarHBondContact O-N 2.87Å; Q27-D31 PolarHBondContact NE2-OD1 2.76Å; Q27-D31 PolarHBondContact O-N 3.11Å |
| 28 | Q | 97.2 | Very high | 95.8 | Very high | 99 Ų | 99 | 98 Ų | 98 | 46% | 0.463 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -53.8 | -45.2 | 179.2 | -179.3 | -178.7 | -15.2 | 0 | 0 | 112.4 | Q24 A30 D31 E32 | Q24-Q28 WeakPolarHBondContact O-CB 3.42Å; Q24-Q28 PolarHBondContact O-N 2.91Å; Q28-A30 VanDerWaalsContact C-N 3.31Å; Q28-A30 PolarHBondContact O-N 3.43Å; Q28-D31 PolarHBondContact O-N 3.11Å; Q28-E32 HydrophobicContact CG-CG 4.3Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.38Å; Q28-E32 PolarHBondContact NE2-OE1 3.47Å; Q28-E32 WeakPolarHBondContact O-CB 3.36Å; Q28-E32 VanDerWaalsContact O-CG 3.23Å; Q28-E32 WeakPolarHBondContact O-CG 3.23Å; Q28-E32 PolarHBondContact O-N 3.45Å |
| 29 | R | 96.8 | Very high | 96.2 | Very high | 137 Ų | 137 | 102 Ų | 102 | 52% | 0.517 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.2 | -27.7 | 176.6 | -73 | -174.7 | -165.1 | 110.8 | -6.6 | 114.1 | K25 Q27 A33 | K25-R29 WeakPolarHBondContact O-CG 3.42Å; K25-R29 PolarHBondContact O-N 3.42Å; Q27-R29 VanDerWaalsContact C-N 3.32Å; Q27-R29 PolarHBondContact O-N 3.24Å; R29-A33 VanDerWaalsContact O-CB 3.24Å; R29-A33 WeakPolarHBondContact O-CB 3.19Å; R29-A33 PolarHBondContact O-N 3.25Å; R29-A33 VanDerWaalsContact O-N 3.11Å |
| 30 | A | 96.5 | Very high | 96.6 | Very high | 52 Ų | 52 | 102 Ų | 102 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -74 | -38.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | H26 Q27 Q28 Q34 | H26-A30 WeakPolarHBondContact O-CB 3.38Å; H26-A30 PolarHBondContact O-N 2.86Å; H26-A30 VanDerWaalsContact O-N 3.11Å; Q27-A30 CarbonylContact O-C 3.54Å; Q27-A30 WeakPolarHBondContact O-CA 3.24Å; Q27-A30 WeakPolarHBondContact O-CB 3.45Å; Q27-A30 PolarHBondContact O-N 2.87Å; Q28-A30 VanDerWaalsContact C-N 3.31Å; Q28-A30 PolarHBondContact O-N 3.43Å; A30-Q34 WeakPolarHBondContact O-CB 3.34Å; A30-Q34 PolarHBondContact O-N 2.89Å |
| 31 | D | 97.3 | Very high | 96.8 | Very high | 69 Ų | 69 | 99.8 Ų | 99.8 | 37% | 0.369 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.2 | -51.4 | 173.8 | -55.4 | -32.7 | 0 | 0 | 0 | 110.3 | Q27 Q28 A33 Q34 E35 | Q27-D31 PolarHBondContact NE2-OD1 2.76Å; Q27-D31 PolarHBondContact O-N 3.11Å; Q28-D31 PolarHBondContact O-N 3.11Å; D31-A33 PolarHBondContact O-N 3.05Å; D31-Q34 CarbonylContact O-C 3.57Å; D31-Q34 WeakPolarHBondContact O-CA 3.22Å; D31-Q34 WeakPolarHBondContact O-CB 3.39Å; D31-Q34 PolarHBondContact O-N 3.39Å; D31-E35 WeakPolarHBondContact O-CG 3.26Å; D31-E35 PolarHBondContact O-N 2.75Å |
| 32 | E | 97.4 | Very high | 97.1 | Very high | 91 Ų | 91 | 99 Ų | 99 | 43% | 0.425 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -55.1 | -46.9 | 175.9 | -73.8 | 165.8 | 172.3 | 0 | 0 | 112.1 | Q28 Q34 E35 E36 | Q28-E32 HydrophobicContact CG-CG 4.3Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.38Å; Q28-E32 PolarHBondContact NE2-OE1 3.47Å; Q28-E32 WeakPolarHBondContact O-CB 3.36Å; Q28-E32 VanDerWaalsContact O-CG 3.23Å; Q28-E32 WeakPolarHBondContact O-CG 3.23Å; Q28-E32 PolarHBondContact O-N 3.45Å; E32-Q34 VanDerWaalsContact C-N 3.32Å; E32-Q34 PolarHBondContact O-N 2.94Å; E32-E35 PolarHBondContact O-N 3.1Å; E32-E36 PolarHBondContact O-N 3.26Å |
| 33 | A | 97.3 | Very high | 97.3 | Very high | 51 Ų | 51 | 102.9 Ų | 102.9 | 42% | 0.421 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -71.1 | -26.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R29 D31 L37 | R29-A33 VanDerWaalsContact O-CB 3.24Å; R29-A33 WeakPolarHBondContact O-CB 3.19Å; R29-A33 PolarHBondContact O-N 3.25Å; R29-A33 VanDerWaalsContact O-N 3.11Å; D31-A33 PolarHBondContact O-N 3.05Å; A33-L37 VanDerWaalsContact O-CB 3.26Å; A33-L37 WeakPolarHBondContact O-CB 3.29Å; A33-L37 PolarHBondContact O-N 3.28Å; A33-L37 VanDerWaalsContact O-N 3.1Å |
| 34 | Q | 97.7 | Very high | 97.4 | Very high | 121 Ų | 121 | 102.1 Ų | 102.1 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -76 | -31.9 | 172.7 | 174.5 | 172.9 | -32.5 | 0 | 0 | 111.5 | A30 D31 E32 Q38 | A30-Q34 WeakPolarHBondContact O-CB 3.34Å; A30-Q34 PolarHBondContact O-N 2.89Å; D31-Q34 CarbonylContact O-C 3.57Å; D31-Q34 WeakPolarHBondContact O-CA 3.22Å; D31-Q34 WeakPolarHBondContact O-CB 3.39Å; D31-Q34 PolarHBondContact O-N 3.39Å; E32-Q34 VanDerWaalsContact C-N 3.32Å; E32-Q34 PolarHBondContact O-N 2.94Å; Q34-Q38 VanDerWaalsContact O-CG 3.29Å; Q34-Q38 WeakPolarHBondContact O-CG 3.45Å; Q34-Q38 PolarHBondContact O-N 2.99Å; Q34-Q38 PolarHBondContact O-NE2 3.3Å |
| 35 | E | 97.9 | Very high | 97.6 | Very high | 125 Ų | 125 | 102.4 Ų | 102.4 | 58% | 0.584 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.6 | -51.4 | 170.7 | -71.6 | 179.5 | 166 | 0 | 0 | 110.7 | D31 E32 L37 Q38 E39 | D31-E35 WeakPolarHBondContact O-CG 3.26Å; D31-E35 PolarHBondContact O-N 2.75Å; E32-E35 PolarHBondContact O-N 3.1Å; E35-L37 VanDerWaalsContact C-N 3.29Å; E35-L37 PolarHBondContact O-N 2.99Å; E35-Q38 WeakPolarHBondContact O-CB 3.48Å; E35-Q38 PolarHBondContact O-N 2.87Å; E35-E39 PolarHBondContact O-N 2.84Å |
| 36 | E | 98 | Very high | 97.7 | Very high | 143 Ų | 143 | 102.5 Ų | 102.5 | 67% | 0.668 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -55.3 | -41.6 | 175.9 | -175.1 | -179.8 | -163 | 0 | 0 | 112.2 | E32 E39 F40 | E32-E36 PolarHBondContact O-N 3.26Å; E36-E39 PolarHBondContact O-N 2.83Å; E36-F40 WeakPolarHBondContact O-CB 3.41Å; E36-F40 PolarHBondContact O-N 2.62Å |
| 37 | L | 97.9 | Very high | 97.8 | Very high | 94 Ų | 94 | 103.1 Ų | 103.1 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.1 | -36.4 | 176 | -180 | 60.9 | 0 | 0 | 0 | 112.9 | A33 E35 Q41 | A33-L37 VanDerWaalsContact O-CB 3.26Å; A33-L37 WeakPolarHBondContact O-CB 3.29Å; A33-L37 PolarHBondContact O-N 3.28Å; A33-L37 VanDerWaalsContact O-N 3.1Å; E35-L37 VanDerWaalsContact C-N 3.29Å; E35-L37 PolarHBondContact O-N 2.99Å; L37-Q41 HydrophobicContact CD1-CG 4.42Å; L37-Q41 WeakPolarHBondContact O-CB 3.47Å; L37-Q41 VanDerWaalsContact O-CG 3.22Å; L37-Q41 WeakPolarHBondContact O-CG 3.33Å; L37-Q41 PolarHBondContact O-N 3.18Å |
| 38 | Q | 98.2 | Very high | 97.9 | Very high | 104 Ų | 104 | 102.6 Ų | 102.6 | 49% | 0.486 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.8 | -40.8 | 175.9 | -77.9 | 170.4 | 97.9 | 0 | 0 | 111.6 | Q34 E35 Q41 Q42 | Q34-Q38 VanDerWaalsContact O-CG 3.29Å; Q34-Q38 WeakPolarHBondContact O-CG 3.45Å; Q34-Q38 PolarHBondContact O-N 2.99Å; Q34-Q38 PolarHBondContact O-NE2 3.3Å; E35-Q38 WeakPolarHBondContact O-CB 3.48Å; E35-Q38 PolarHBondContact O-N 2.87Å; Q38-Q41 PolarHBondContact O-N 2.92Å; Q38-Q42 WeakPolarHBondContact O-CB 3.49Å; Q38-Q42 PolarHBondContact O-N 3.08Å |
| 39 | E | 98.3 | Very high | 97.9 | Very high | 136 Ų | 136 | 100.2 Ų | 100.2 | 64% | 0.636 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.9 | -47.4 | 173.3 | -69.5 | -170.5 | 165.5 | 0 | 0 | 110.8 | E35 E36 Q41 Q42 M43 | E35-E39 PolarHBondContact O-N 2.84Å; E36-E39 PolarHBondContact O-N 2.83Å; E39-Q41 PolarHBondContact O-N 3.44Å; E39-Q42 PolarHBondContact O-N 3.41Å; E39-Q42 VanDerWaalsContact O-N 3.11Å; E39-M43 WeakPolarHBondContact O-CG 3.45Å; E39-M43 PolarHBondContact O-N 3.3Å |
| 40 | F | 98.4 | Very high | 98 | Very high | 145 Ų | 145 | 99.6 Ų | 99.6 | 64% | 0.636 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.3 | -43.1 | 176.1 | -176 | -93.2 | 0 | 0 | 0 | 112.5 | E36 Q42 M43 S44 | E36-F40 WeakPolarHBondContact O-CB 3.41Å; E36-F40 PolarHBondContact O-N 2.62Å; F40-Q42 VanDerWaalsContact C-N 3.29Å; F40-Q42 PolarHBondContact O-N 3.44Å; F40-M43 PolarHBondContact O-N 3.43Å; F40-S44 WeakPolarHBondContact O-CB 3.46Å; F40-S44 PolarHBondContact O-N 2.93Å |
| 41 | Q | 98.6 | Very high | 98.1 | Very high | 95 Ų | 95 | 100.8 Ų | 100.8 | 44% | 0.444 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.3 | -30.8 | 175.1 | -75.7 | 175.3 | 19.3 | 0 | 0 | 113 | L37 Q38 E39 R45 | L37-Q41 HydrophobicContact CD1-CG 4.42Å; L37-Q41 WeakPolarHBondContact O-CB 3.47Å; L37-Q41 VanDerWaalsContact O-CG 3.22Å; L37-Q41 WeakPolarHBondContact O-CG 3.33Å; L37-Q41 PolarHBondContact O-N 3.18Å; Q38-Q41 PolarHBondContact O-N 2.92Å; E39-Q41 PolarHBondContact O-N 3.44Å; Q41-R45 WeakPolarHBondContact O-CG 3.18Å; Q41-R45 PolarHBondContact O-N 3.11Å; Q41-R45 PolarHBondContact O-NE 2.9Å; Q41-R45 VanDerWaalsContact O-NE 3.08Å |
| 42 | Q | 98.3 | Very high | 98.2 | Very high | 78 Ų | 78 | 102.7 Ų | 102.7 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72 | -51.7 | 173.9 | -174.5 | 54.1 | 36.8 | 0 | 0 | 110.8 | Q38 E39 F40 S44 R45 D46 | Q38-Q42 WeakPolarHBondContact O-CB 3.49Å; Q38-Q42 PolarHBondContact O-N 3.08Å; E39-Q42 PolarHBondContact O-N 3.41Å; E39-Q42 VanDerWaalsContact O-N 3.11Å; F40-Q42 VanDerWaalsContact C-N 3.29Å; F40-Q42 PolarHBondContact O-N 3.44Å; Q42-S44 VanDerWaalsContact C-N 3.28Å; Q42-S44 PolarHBondContact O-N 3.42Å; Q42-R45 PolarHBondContact O-N 2.86Å; Q42-D46 WeakPolarHBondContact CG-OD2 3.3Å; Q42-D46 PolarHBondContact NE2-OD1 3.47Å; Q42-D46 PolarHBondContact NE2-OD2 3.27Å; Q42-D46 PolarHBondContact O-N 2.9Å |
| 43 | M | 98.2 | Very high | 98.2 | Very high | 128 Ų | 128 | 102.6 Ų | 102.6 | 63% | 0.631 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.5 | -36.7 | 178.5 | -67.4 | -56.9 | -55 | 0 | 0 | 113 | E39 F40 Y47 | E39-M43 WeakPolarHBondContact O-CG 3.45Å; E39-M43 PolarHBondContact O-N 3.3Å; F40-M43 PolarHBondContact O-N 3.43Å; M43-Y47 VanDerWaalsContact O-CB 3.3Å; M43-Y47 WeakPolarHBondContact O-CB 3.35Å; M43-Y47 PolarHBondContact O-N 2.97Å |
| 44 | S | 98.4 | Very high | 98.3 | Very high | 44 Ų | 44 | 106 Ų | 106 | 31% | 0.308 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -48.1 | 173.8 | -163 | 0 | 0 | 0 | 0 | 111.3 | F40 Q42 D46 Y47 E48 | F40-S44 WeakPolarHBondContact O-CB 3.46Å; F40-S44 PolarHBondContact O-N 2.93Å; Q42-S44 VanDerWaalsContact C-N 3.28Å; Q42-S44 PolarHBondContact O-N 3.42Å; S44-D46 PolarHBondContact O-N 3.45Å; S44-Y47 PolarHBondContact O-N 2.92Å; S44-E48 WeakPolarHBondContact CB-OE1 3.48Å; S44-E48 WeakPolarHBondContact O-CB 3.45Å; S44-E48 WeakPolarHBondContact O-CG 3.38Å; S44-E48 PolarHBondContact O-N 3.31Å; S44-E48 PolarHBondContact OG-OE1 3.37Å |
| 45 | R | 98.5 | Very high | 98.3 | Very high | 133 Ų | 133 | 105 Ų | 105 | 50% | 0.502 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.6 | -37.4 | -179.9 | -70.8 | 179.4 | -61.2 | -164.3 | 3.5 | 113 | Q41 Q42 A49 | Q41-R45 WeakPolarHBondContact O-CG 3.18Å; Q41-R45 PolarHBondContact O-N 3.11Å; Q41-R45 PolarHBondContact O-NE 2.9Å; Q41-R45 VanDerWaalsContact O-NE 3.08Å; Q42-R45 PolarHBondContact O-N 2.86Å; R45-A49 WeakPolarHBondContact O-CB 3.48Å; R45-A49 PolarHBondContact O-N 3.01Å |
| 46 | D | 98.3 | Very high | 98.3 | Very high | 73 Ų | 73 | 104.4 Ų | 104.4 | 39% | 0.39 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.9 | -40.9 | 176.8 | -66.3 | -32.6 | 0 | 0 | 0 | 110.9 | Q42 S44 A49 E50 | Q42-D46 WeakPolarHBondContact CG-OD2 3.3Å; Q42-D46 PolarHBondContact NE2-OD1 3.47Å; Q42-D46 PolarHBondContact NE2-OD2 3.27Å; Q42-D46 PolarHBondContact O-N 2.9Å; S44-D46 PolarHBondContact O-N 3.45Å; D46-A49 WeakPolarHBondContact O-CB 3.42Å; D46-A49 PolarHBondContact O-N 3.46Å; D46-E50 WeakPolarHBondContact O-CG 3.49Å; D46-E50 PolarHBondContact O-N 3.06Å |
| 47 | Y | 98.2 | Very high | 98.4 | Very high | 135 Ų | 135 | 102.9 Ų | 102.9 | 53% | 0.529 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.7 | -38.7 | 174.2 | -178.3 | -118.2 | 0 | 0 | 0 | 113.2 | M43 S44 A49 E50 L51 | M43-Y47 VanDerWaalsContact O-CB 3.3Å; M43-Y47 WeakPolarHBondContact O-CB 3.35Å; M43-Y47 PolarHBondContact O-N 2.97Å; S44-Y47 PolarHBondContact O-N 2.92Å; Y47-A49 VanDerWaalsContact C-N 3.3Å; Y47-A49 PolarHBondContact O-N 2.95Å; Y47-E50 PolarHBondContact O-N 2.81Å; Y47-L51 HydrophobicContact CD1-CD1 4.09Å; Y47-L51 HydrophobicContact CE1-CD1 3.6Å; Y47-L51 HydrophobicContact CE1-CG 4.28Å; Y47-L51 HydrophobicContact CE2-CD1 4.39Å; Y47-L51 HydrophobicContact CE2-CD2 4.39Å; Y47-L51 HydrophobicContact CE2-CG 4.18Å; Y47-L51 WeakPolarHBondContact O-CG 3.41Å; Y47-L51 PolarHBondContact O-N 2.97Å |
| 48 | E | 98.3 | Very high | 98.4 | Very high | 101 Ų | 101 | 101.9 Ų | 101.9 | 47% | 0.472 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.1 | -40.7 | 171.3 | -74.1 | 159.7 | -130.7 | 0 | 0 | 111 | S44 E52 | S44-E48 WeakPolarHBondContact CB-OE1 3.48Å; S44-E48 WeakPolarHBondContact O-CB 3.45Å; S44-E48 WeakPolarHBondContact O-CG 3.38Å; S44-E48 PolarHBondContact O-N 3.31Å; S44-E48 PolarHBondContact OG-OE1 3.37Å; E48-E52 WeakPolarHBondContact O-CB 3.36Å; E48-E52 PolarHBondContact O-N 3.31Å |
| 49 | A | 98.5 | Very high | 98.4 | Very high | 50 Ų | 50 | 102.4 Ų | 102.4 | 41% | 0.413 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.4 | -40.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R45 D46 Y47 E52 T53 | R45-A49 WeakPolarHBondContact O-CB 3.48Å; R45-A49 PolarHBondContact O-N 3.01Å; D46-A49 WeakPolarHBondContact O-CB 3.42Å; D46-A49 PolarHBondContact O-N 3.46Å; Y47-A49 VanDerWaalsContact C-N 3.3Å; Y47-A49 PolarHBondContact O-N 2.95Å; A49-E52 PolarHBondContact O-N 2.94Å; A49-T53 WeakPolarHBondContact O-CG2 3.47Å; A49-T53 PolarHBondContact O-N 3.29Å |
| 50 | E | 98.4 | Very high | 98.4 | Very high | 123 Ų | 123 | 97.3 Ų | 97.3 | 58% | 0.575 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -58.1 | -53.2 | 172.5 | -74.4 | -179.7 | 165.6 | 0 | 0 | 110.9 | D46 Y47 E52 T53 E54 | D46-E50 WeakPolarHBondContact O-CG 3.49Å; D46-E50 PolarHBondContact O-N 3.06Å; Y47-E50 PolarHBondContact O-N 2.81Å; E50-E52 VanDerWaalsContact C-N 3.31Å; E50-E52 PolarHBondContact O-N 2.85Å; E50-T53 PolarHBondContact O-N 3.28Å; E50-T53 PolarHBondContact O-OG1 2.78Å; E50-E54 PolarHBondContact O-N 3Å |
| 51 | L | 98.4 | Very high | 98.4 | Very high | 77 Ų | 77 | 96.5 Ų | 96.5 | 40% | 0.403 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58 | -40 | 176.7 | -71.4 | 176.7 | 0 | 0 | 0 | 112.6 | Y47 T53 E54 L55 | Y47-L51 HydrophobicContact CD1-CD1 4.09Å; Y47-L51 HydrophobicContact CE1-CD1 3.6Å; Y47-L51 HydrophobicContact CE1-CG 4.28Å; Y47-L51 HydrophobicContact CE2-CD1 4.39Å; Y47-L51 HydrophobicContact CE2-CD2 4.39Å; Y47-L51 HydrophobicContact CE2-CG 4.18Å; Y47-L51 WeakPolarHBondContact O-CG 3.41Å; Y47-L51 PolarHBondContact O-N 2.97Å; L51-T53 VanDerWaalsContact C-N 3.32Å; L51-T53 PolarHBondContact O-N 2.6Å; L51-E54 PolarHBondContact O-N 3.36Å; L51-L55 WeakPolarHBondContact O-CB 3.48Å; L51-L55 PolarHBondContact O-N 3.45Å |
| 52 | E | 98.4 | Very high | 98.4 | Very high | 109 Ų | 109 | 96.6 Ų | 96.6 | 51% | 0.509 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.1 | -38.4 | 173.2 | -91.5 | -161.7 | -157.5 | 0 | 0 | 112.5 | E48 A49 E50 K56 | E48-E52 WeakPolarHBondContact O-CB 3.36Å; E48-E52 PolarHBondContact O-N 3.31Å; A49-E52 PolarHBondContact O-N 2.94Å; E50-E52 VanDerWaalsContact C-N 3.31Å; E50-E52 PolarHBondContact O-N 2.85Å; E52-K56 WeakPolarHBondContact O-CB 3.15Å; E52-K56 WeakPolarHBondContact O-CD 3.2Å; E52-K56 WeakPolarHBondContact O-CG 3.44Å; E52-K56 PolarHBondContact O-N 3.07Å; E52-K56 WeakPolarHBondContact OE2-CE 3.35Å; E52-K56 IonicContact OE2-NZ 2.68Å; E52-K56 PolarHBondContact OE2-NZ 3.08Å |
| 53 | T | 98.4 | Very high | 98.4 | Very high | 89 Ų | 89 | 99.9 Ų | 99.9 | 55% | 0.546 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71 | -39.5 | 177 | 63.1 | 0 | 0 | 0 | 0 | 112.6 | A49 E50 L51 K56 Q57 | A49-T53 WeakPolarHBondContact O-CG2 3.47Å; A49-T53 PolarHBondContact O-N 3.29Å; E50-T53 PolarHBondContact O-N 3.28Å; E50-T53 PolarHBondContact O-OG1 2.78Å; L51-T53 VanDerWaalsContact C-N 3.32Å; L51-T53 PolarHBondContact O-N 2.6Å; T53-K56 PolarHBondContact O-N 2.93Å; T53-Q57 WeakPolarHBondContact O-CB 3.43Å; T53-Q57 PolarHBondContact O-N 3.4Å |
| 54 | E | 98.4 | Very high | 98.5 | Very high | 123 Ų | 123 | 99.7 Ų | 99.7 | 58% | 0.575 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63 | -43.9 | 174.1 | -67.2 | -159.7 | 145.5 | 0 | 0 | 111.6 | E50 L51 Q57 C58 | E50-E54 PolarHBondContact O-N 3Å; L51-E54 PolarHBondContact O-N 3.36Å; E54-Q57 PolarHBondContact O-N 3.33Å; E54-C58 WeakPolarHBondContact O-CB 3.41Å; E54-C58 PolarHBondContact O-N 2.77Å; E54-C58 PolarHBondContact O-SG 3.41Å |
| 55 | L | 98.4 | Very high | 98.5 | Very high | 100 Ų | 100 | 103.4 Ų | 103.4 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.5 | -51.9 | 176.8 | -178.8 | 63.3 | 0 | 0 | 0 | 111.1 | L51 Q57 C58 E59 | L51-L55 WeakPolarHBondContact O-CB 3.48Å; L51-L55 PolarHBondContact O-N 3.45Å; L55-Q57 VanDerWaalsContact C-N 3.26Å; L55-Q57 PolarHBondContact O-N 2.72Å; L55-C58 PolarHBondContact O-N 2.97Å; L55-C58 VanDerWaalsContact O-N 3.08Å; L55-E59 HydrophobicContact CD1-CG 4.38Å; L55-E59 WeakPolarHBondContact O-CG 3.35Å; L55-E59 PolarHBondContact O-N 2.93Å |
| 56 | K | 98.6 | Very high | 98.5 | Very high | 112 Ų | 112 | 101.8 Ų | 101.8 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.8 | -36.9 | 177.8 | -70 | 160.7 | -163.8 | 165.8 | 0 | 112.1 | E52 T53 G60 | E52-K56 WeakPolarHBondContact O-CB 3.15Å; E52-K56 WeakPolarHBondContact O-CD 3.2Å; E52-K56 WeakPolarHBondContact O-CG 3.44Å; E52-K56 PolarHBondContact O-N 3.07Å; E52-K56 WeakPolarHBondContact OE2-CE 3.35Å; E52-K56 IonicContact OE2-NZ 2.68Å; E52-K56 PolarHBondContact OE2-NZ 3.08Å; T53-K56 PolarHBondContact O-N 2.93Å; K56-G60 PolarHBondContact O-N 2.96Å |
| 57 | Q | 98.6 | Very high | 98.5 | Very high | 111 Ų | 111 | 103.7 Ų | 103.7 | 52% | 0.519 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.3 | -37.1 | 176.7 | -161 | -169.4 | 83.5 | 0 | 0 | 112.1 | T53 E54 L55 R61 | T53-Q57 WeakPolarHBondContact O-CB 3.43Å; T53-Q57 PolarHBondContact O-N 3.4Å; E54-Q57 PolarHBondContact O-N 3.33Å; L55-Q57 VanDerWaalsContact C-N 3.26Å; L55-Q57 PolarHBondContact O-N 2.72Å; Q57-R61 WeakPolarHBondContact O-CG 3.26Å; Q57-R61 PolarHBondContact O-N 3.01Å; Q57-R61 VanDerWaalsContact O-N 3.11Å |
| 58 | C | 98.3 | Very high | 98.5 | Very high | 73 Ų | 73 | 100.7 Ų | 100.7 | 49% | 0.493 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.6 | -42 | 174.9 | -72.4 | 0 | 0 | 0 | 0 | 112.5 | E54 L55 G60 R61 N62 | E54-C58 WeakPolarHBondContact O-CB 3.41Å; E54-C58 PolarHBondContact O-N 2.77Å; E54-C58 PolarHBondContact O-SG 3.41Å; L55-C58 PolarHBondContact O-N 2.97Å; L55-C58 VanDerWaalsContact O-N 3.08Å; C58-G60 VanDerWaalsContact C-N 3.34Å; C58-R61 PolarHBondContact O-N 2.9Å; C58-N62 WeakPolarHBondContact O-CB 3.47Å; C58-N62 PolarHBondContact O-N 3.31Å |
| 59 | E | 98.5 | Very high | 98.5 | Very high | 115 Ų | 115 | 99.3 Ų | 99.3 | 54% | 0.537 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 172.2 | -71.3 | -178.6 | 157.1 | 0 | 0 | 111.7 | L55 N62 K63 | L55-E59 HydrophobicContact CD1-CG 4.38Å; L55-E59 WeakPolarHBondContact O-CG 3.35Å; L55-E59 PolarHBondContact O-N 2.93Å; E59-N62 PolarHBondContact O-N 2.9Å; E59-K63 WeakPolarHBondContact O-CB 3.35Å; E59-K63 PolarHBondContact O-N 3.5Å |
| 60 | G | 98.6 | Very high | 98.5 | Very high | 29 Ų | 29 | 101 Ų | 101 | 30% | 0.299 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -55.7 | -56.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K56 C58 N62 K63 E64 | K56-G60 PolarHBondContact O-N 2.96Å; C58-G60 VanDerWaalsContact C-N 3.34Å; G60-N62 VanDerWaalsContact C-N 3.31Å; G60-N62 PolarHBondContact O-N 3.11Å; G60-K63 WeakPolarHBondContact O-CB 3.45Å; G60-K63 PolarHBondContact O-N 2.77Å; G60-E64 WeakPolarHBondContact O-CG 3.45Å; G60-E64 PolarHBondContact O-N 3.35Å |
| 61 | R | 98.6 | Very high | 98.6 | Very high | 129 Ų | 129 | 100.5 Ų | 100.5 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.7 | -40.1 | 176.9 | -71.1 | -174.7 | -170.9 | 100.4 | -1.6 | 112.9 | Q57 C58 E64 L65 | Q57-R61 WeakPolarHBondContact O-CG 3.26Å; Q57-R61 PolarHBondContact O-N 3.01Å; Q57-R61 VanDerWaalsContact O-N 3.11Å; C58-R61 PolarHBondContact O-N 2.9Å; R61-E64 PolarHBondContact O-N 3.35Å; R61-L65 WeakPolarHBondContact O-CB 3.42Å; R61-L65 VanDerWaalsContact O-CG 3.27Å; R61-L65 WeakPolarHBondContact O-CG 3.48Å; R61-L65 PolarHBondContact O-N 3.44Å |
| 62 | N | 98.4 | Very high | 98.6 | Very high | 97 Ų | 97 | 101 Ų | 101 | 52% | 0.519 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 178.4 | -168.4 | -2.3 | 0 | 0 | 0 | 110.8 | C58 E59 G60 L65 L66 | C58-N62 WeakPolarHBondContact O-CB 3.47Å; C58-N62 PolarHBondContact O-N 3.31Å; E59-N62 PolarHBondContact O-N 2.9Å; G60-N62 VanDerWaalsContact C-N 3.31Å; G60-N62 PolarHBondContact O-N 3.11Å; N62-L65 PolarHBondContact O-N 3.28Å; N62-L66 WeakPolarHBondContact O-CB 3.33Å; N62-L66 VanDerWaalsContact O-CG 3.26Å; N62-L66 WeakPolarHBondContact O-CG 3.18Å; N62-L66 PolarHBondContact O-N 2.99Å |
| 63 | K | 98.7 | Very high | 98.6 | Very high | 146 Ų | 146 | 103.2 Ų | 103.2 | 64% | 0.635 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.2 | -42.3 | 174.4 | -174.9 | -179.2 | 178.2 | -176.9 | 0 | 112.5 | E59 G60 L66 L67 | E59-K63 WeakPolarHBondContact O-CB 3.35Å; E59-K63 PolarHBondContact O-N 3.5Å; G60-K63 WeakPolarHBondContact O-CB 3.45Å; G60-K63 PolarHBondContact O-N 2.77Å; K63-L66 PolarHBondContact O-N 3.18Å; K63-L67 HydrophobicContact CG-CD1 4.5Å; K63-L67 WeakPolarHBondContact O-CG 3.4Å; K63-L67 PolarHBondContact O-N 3.02Å |
| 64 | E | 98.6 | Very high | 98.6 | Very high | 124 Ų | 124 | 105.8 Ų | 105.8 | 58% | 0.579 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.5 | -50.5 | 174.9 | -71.2 | 168.4 | 170.4 | 0 | 0 | 111.3 | G60 R61 L66 L67 D68 | G60-E64 WeakPolarHBondContact O-CG 3.45Å; G60-E64 PolarHBondContact O-N 3.35Å; R61-E64 PolarHBondContact O-N 3.35Å; E64-L66 VanDerWaalsContact C-N 3.28Å; E64-L66 PolarHBondContact O-N 2.93Å; E64-L67 PolarHBondContact O-N 2.95Å; E64-L67 VanDerWaalsContact O-N 3.09Å; E64-D68 PolarHBondContact O-N 2.96Å |
| 65 | L | 98.6 | Very high | 98.6 | Very high | 122 Ų | 122 | 103.8 Ų | 103.8 | 64% | 0.639 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.8 | -36.2 | 176.7 | -72.3 | 169.5 | 0 | 0 | 0 | 112.6 | R61 N62 N69 | R61-L65 WeakPolarHBondContact O-CB 3.42Å; R61-L65 VanDerWaalsContact O-CG 3.27Å; R61-L65 WeakPolarHBondContact O-CG 3.48Å; R61-L65 PolarHBondContact O-N 3.44Å; N62-L65 PolarHBondContact O-N 3.28Å; L65-N69 WeakPolarHBondContact O-CB 3.21Å; L65-N69 PolarHBondContact O-N 2.86Å |
| 66 | L | 98.7 | Very high | 98.6 | Very high | 99 Ų | 99 | 103.6 Ų | 103.6 | 52% | 0.518 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.2 | -38.8 | 174.3 | -75.4 | 168.7 | 0 | 0 | 0 | 112.3 | N62 K63 E64 N70 | N62-L66 WeakPolarHBondContact O-CB 3.33Å; N62-L66 VanDerWaalsContact O-CG 3.26Å; N62-L66 WeakPolarHBondContact O-CG 3.18Å; N62-L66 PolarHBondContact O-N 2.99Å; K63-L66 PolarHBondContact O-N 3.18Å; E64-L66 VanDerWaalsContact C-N 3.28Å; E64-L66 PolarHBondContact O-N 2.93Å; L66-N70 PolarHBondContact O-N 2.87Å; L66-N70 VanDerWaalsContact O-N 3.09Å; L66-N70 PolarHBondContact O-ND2 3.31Å |
| 67 | L | 98.7 | Very high | 98.6 | Very high | 113 Ų | 113 | 103.2 Ų | 103.2 | 59% | 0.592 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.8 | -47.3 | 175.4 | -71.5 | 169.2 | 0 | 0 | 0 | 111 | K63 E64 N69 N70 R71 | K63-L67 HydrophobicContact CG-CD1 4.5Å; K63-L67 WeakPolarHBondContact O-CG 3.4Å; K63-L67 PolarHBondContact O-N 3.02Å; E64-L67 PolarHBondContact O-N 2.95Å; E64-L67 VanDerWaalsContact O-N 3.09Å; L67-N69 PolarHBondContact O-N 3.12Å; L67-N70 PolarHBondContact O-N 3.32Å; L67-R71 WeakPolarHBondContact O-CB 3.5Å; L67-R71 PolarHBondContact O-N 2.91Å |
| 68 | D | 98.7 | Very high | 98.6 | Very high | 73 Ų | 73 | 99.9 Ų | 99.9 | 39% | 0.39 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.7 | -37.5 | 176.1 | -94.5 | -30 | 0 | 0 | 0 | 112.6 | E64 N70 R71 L72 | E64-D68 PolarHBondContact O-N 2.96Å; D68-N70 VanDerWaalsContact C-N 3.33Å; D68-N70 PolarHBondContact O-N 3.41Å; D68-R71 PolarHBondContact O-N 3.04Å; D68-R71 IonicContact OD1-CZ 2.65Å; D68-R71 IonicContact OD1-NE 3.73Å; D68-R71 PolarHBondContact OD1-NE 3.27Å; D68-R71 IonicContact OD1-NH2 3.16Å; D68-R71 PolarHBondContact OD1-NH2 3.28Å; D68-L72 WeakPolarHBondContact O-CB 3.46Å; D68-L72 VanDerWaalsContact O-CG 3.27Å; D68-L72 WeakPolarHBondContact O-CG 3.49Å; D68-L72 PolarHBondContact O-N 3.09Å |
| 69 | N | 98.7 | Very high | 98.6 | Very high | 72 Ų | 72 | 101.9 Ų | 101.9 | 39% | 0.385 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.1 | -35.5 | 176.6 | -159.6 | -101 | 0 | 0 | 0 | 112 | L65 L67 R73 | L65-N69 WeakPolarHBondContact O-CB 3.21Å; L65-N69 PolarHBondContact O-N 2.86Å; L67-N69 PolarHBondContact O-N 3.12Å; N69-R73 WeakPolarHBondContact O-CD 3.36Å; N69-R73 WeakPolarHBondContact O-CG 3.15Å; N69-R73 PolarHBondContact O-N 3.48Å; N69-R73 VanDerWaalsContact O-N 3.12Å; N69-R73 PolarHBondContact OD1-NE 3.09Å; N69-R73 PolarHBondContact OD1-NH2 2.65Å |
| 70 | N | 98.6 | Very high | 98.6 | Very high | 84 Ų | 84 | 101.4 Ų | 101.4 | 45% | 0.449 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.9 | -41.8 | 172.9 | -77.3 | -68.7 | 0 | 0 | 0 | 112 | L66 L67 D68 R73 M74 | L66-N70 PolarHBondContact O-N 2.87Å; L66-N70 VanDerWaalsContact O-N 3.09Å; L66-N70 PolarHBondContact O-ND2 3.31Å; L67-N70 PolarHBondContact O-N 3.32Å; D68-N70 VanDerWaalsContact C-N 3.33Å; D68-N70 PolarHBondContact O-N 3.41Å; N70-R73 WeakPolarHBondContact O-CB 3.38Å; N70-R73 PolarHBondContact O-N 2.91Å; N70-M74 WeakPolarHBondContact O-CG 3.41Å; N70-M74 PolarHBondContact O-N 3.37Å |
| 71 | R | 98.7 | Very high | 98.7 | Very high | 114 Ų | 114 | 106.9 Ų | 106.9 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57 | -51.5 | 173.9 | 179.1 | 177.6 | 66.6 | 82.6 | -5.5 | 111.6 | L67 D68 R73 M74 E75 | L67-R71 WeakPolarHBondContact O-CB 3.5Å; L67-R71 PolarHBondContact O-N 2.91Å; D68-R71 PolarHBondContact O-N 3.04Å; D68-R71 IonicContact OD1-CZ 2.65Å; D68-R71 IonicContact OD1-NE 3.73Å; D68-R71 PolarHBondContact OD1-NE 3.27Å; D68-R71 IonicContact OD1-NH2 3.16Å; D68-R71 PolarHBondContact OD1-NH2 3.28Å; R71-R73 VanDerWaalsContact C-N 3.3Å; R71-R73 PolarHBondContact O-N 2.93Å; R71-M74 PolarHBondContact O-N 3.16Å; R71-M74 VanDerWaalsContact O-N 3.1Å; R71-E75 WeakPolarHBondContact CG-OE1 3.4Å; R71-E75 IonicContact CZ-OE1 2.6Å; R71-E75 IonicContact NH1-OE1 3.41Å; R71-E75 PolarHBondContact NH1-OE1 2.92Å; R71-E75 IonicContact NH1-OE2 3.42Å; R71-E75 PolarHBondContact NH1-OE2 3.23Å; R71-E75 WeakPolarHBondContact O-CG 3.27Å; R71-E75 PolarHBondContact O-N 2.95Å |
| 72 | L | 98.6 | Very high | 98.7 | Very high | 88 Ų | 88 | 106.7 Ų | 106.7 | 46% | 0.461 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.6 | -33.6 | 178.7 | -70.5 | 169 | 0 | 0 | 0 | 112.6 | D68 L76 | D68-L72 WeakPolarHBondContact O-CB 3.46Å; D68-L72 VanDerWaalsContact O-CG 3.27Å; D68-L72 WeakPolarHBondContact O-CG 3.49Å; D68-L72 PolarHBondContact O-N 3.09Å; L72-L76 WeakPolarHBondContact O-CB 3.46Å; L72-L76 PolarHBondContact O-N 3.44Å |
| 73 | R | 98.8 | Very high | 98.7 | Very high | 154 Ų | 154 | 108.2 Ų | 108.2 | 58% | 0.581 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.4 | -43.1 | 171.6 | -74.1 | 168.5 | -163.7 | -157.6 | 3.9 | 112 | N69 N70 R71 L76 E77 | N69-R73 WeakPolarHBondContact O-CD 3.36Å; N69-R73 WeakPolarHBondContact O-CG 3.15Å; N69-R73 PolarHBondContact O-N 3.48Å; N69-R73 VanDerWaalsContact O-N 3.12Å; N69-R73 PolarHBondContact OD1-NE 3.09Å; N69-R73 PolarHBondContact OD1-NH2 2.65Å; N70-R73 WeakPolarHBondContact O-CB 3.38Å; N70-R73 PolarHBondContact O-N 2.91Å; R71-R73 VanDerWaalsContact C-N 3.3Å; R71-R73 PolarHBondContact O-N 2.93Å; R73-L76 PolarHBondContact O-N 3.4Å; R73-E77 PolarHBondContact O-N 3.46Å |
| 74 | M | 98.7 | Very high | 98.7 | Very high | 143 Ų | 143 | 106.5 Ų | 106.5 | 70% | 0.704 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.7 | -41.1 | 178 | -68.5 | 178.1 | 66.2 | 0 | 0 | 112.1 | N70 R71 E77 S78 | N70-M74 WeakPolarHBondContact O-CG 3.41Å; N70-M74 PolarHBondContact O-N 3.37Å; R71-M74 PolarHBondContact O-N 3.16Å; R71-M74 VanDerWaalsContact O-N 3.1Å; M74-E77 PolarHBondContact O-N 2.96Å; M74-S78 WeakPolarHBondContact O-CB 3.27Å; M74-S78 PolarHBondContact O-N 3.35Å |
| 75 | E | 98.6 | Very high | 98.7 | Very high | 82 Ų | 82 | 103.1 Ų | 103.1 | 38% | 0.383 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 173.5 | -72.3 | 170.4 | -166.5 | 0 | 0 | 111.1 | R71 S78 I79 | R71-E75 WeakPolarHBondContact CG-OE1 3.4Å; R71-E75 IonicContact CZ-OE1 2.6Å; R71-E75 IonicContact NH1-OE1 3.41Å; R71-E75 PolarHBondContact NH1-OE1 2.92Å; R71-E75 IonicContact NH1-OE2 3.42Å; R71-E75 PolarHBondContact NH1-OE2 3.23Å; R71-E75 WeakPolarHBondContact O-CG 3.27Å; R71-E75 PolarHBondContact O-N 2.95Å; E75-S78 PolarHBondContact O-N 2.85Å; E75-I79 WeakPolarHBondContact O-CD1 3.45Å; E75-I79 VanDerWaalsContact O-CG1 3.26Å; E75-I79 WeakPolarHBondContact O-CG1 3.26Å; E75-I79 PolarHBondContact O-N 2.71Å |
| 76 | L | 98.6 | Very high | 98.7 | Very high | 96 Ų | 96 | 103.7 Ų | 103.7 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 177.6 | -173.5 | 161.9 | 0 | 0 | 0 | 112.1 | L72 R73 I79 K80 | L72-L76 WeakPolarHBondContact O-CB 3.46Å; L72-L76 PolarHBondContact O-N 3.44Å; R73-L76 PolarHBondContact O-N 3.4Å; L76-I79 PolarHBondContact O-N 2.98Å; L76-K80 HydrophobicContact CD2-CD 4.13Å; L76-K80 VanDerWaalsContact CD2-CE 3.46Å; L76-K80 HydrophobicContact CD2-CG 4.37Å; L76-K80 PolarHBondContact O-N 3.41Å |
| 77 | E | 98.7 | Very high | 98.7 | Very high | 104 Ų | 104 | 103.7 Ų | 103.7 | 49% | 0.486 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.1 | -38.6 | 179.4 | -150.1 | 64.3 | -150.6 | 0 | 0 | 112 | R73 M74 I79 K80 E81 | R73-E77 PolarHBondContact O-N 3.46Å; M74-E77 PolarHBondContact O-N 2.96Å; E77-I79 VanDerWaalsContact C-N 3.29Å; E77-I79 PolarHBondContact O-N 3.47Å; E77-K80 VanDerWaalsContact CD-NZ 3.3Å; E77-K80 WeakPolarHBondContact O-CB 3.4Å; E77-K80 PolarHBondContact O-N 2.91Å; E77-K80 WeakPolarHBondContact OE1-CD 3.24Å; E77-K80 IonicContact OE1-NZ 3.55Å; E77-K80 PolarHBondContact OE1-NZ 3.33Å; E77-K80 VanDerWaalsContact OE1-NZ 3.16Å; E77-K80 IonicContact OE2-NZ 2.62Å; E77-K80 PolarHBondContact OE2-NZ 3.04Å; E77-E81 PolarHBondContact O-N 3.1Å |
| 78 | S | 98.7 | Very high | 98.7 | Very high | 40 Ų | 40 | 101.4 Ų | 101.4 | 28% | 0.28 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -34.1 | 173.5 | -173.5 | 0 | 0 | 0 | 0 | 112.5 | M74 E75 K82 | M74-S78 WeakPolarHBondContact O-CB 3.27Å; M74-S78 PolarHBondContact O-N 3.35Å; E75-S78 PolarHBondContact O-N 2.85Å; S78-K82 WeakPolarHBondContact O-CB 3.18Å; S78-K82 WeakPolarHBondContact O-CD 3.31Å; S78-K82 VanDerWaalsContact O-CG 3.24Å; S78-K82 WeakPolarHBondContact O-CG 3.48Å; S78-K82 PolarHBondContact O-N 3.1Å; S78-K82 VanDerWaalsContact O-N 3.1Å; S78-K82 PolarHBondContact OG-NZ 2.91Å |
| 79 | I | 98.6 | Very high | 98.7 | Very high | 116 Ų | 116 | 104.1 Ų | 104.1 | 60% | 0.595 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -69 | -41 | 174.6 | -70.9 | 164.5 | 0 | 0 | 0 | 111 | E75 L76 E77 F83 | E75-I79 WeakPolarHBondContact O-CD1 3.45Å; E75-I79 VanDerWaalsContact O-CG1 3.26Å; E75-I79 WeakPolarHBondContact O-CG1 3.26Å; E75-I79 PolarHBondContact O-N 2.71Å; L76-I79 PolarHBondContact O-N 2.98Å; E77-I79 VanDerWaalsContact C-N 3.29Å; E77-I79 PolarHBondContact O-N 3.47Å; I79-F83 WeakPolarHBondContact O-CB 3.48Å; I79-F83 PolarHBondContact O-N 2.85Å |
| 80 | K | 98.8 | Very high | 98.7 | Very high | 105 Ų | 105 | 103 Ų | 103 | 46% | 0.457 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.2 | -47.8 | 172.6 | -72.1 | 174.3 | -178.5 | 161.4 | 0 | 112.2 | L76 E77 K82 F83 E84 | L76-K80 HydrophobicContact CD2-CD 4.13Å; L76-K80 VanDerWaalsContact CD2-CE 3.46Å; L76-K80 HydrophobicContact CD2-CG 4.37Å; L76-K80 PolarHBondContact O-N 3.41Å; E77-K80 VanDerWaalsContact CD-NZ 3.3Å; E77-K80 WeakPolarHBondContact O-CB 3.4Å; E77-K80 PolarHBondContact O-N 2.91Å; E77-K80 WeakPolarHBondContact OE1-CD 3.24Å; E77-K80 IonicContact OE1-NZ 3.55Å; E77-K80 PolarHBondContact OE1-NZ 3.33Å; E77-K80 VanDerWaalsContact OE1-NZ 3.16Å; E77-K80 IonicContact OE2-NZ 2.62Å; E77-K80 PolarHBondContact OE2-NZ 3.04Å; K80-K82 VanDerWaalsContact C-N 3.32Å; K80-K82 PolarHBondContact O-N 2.87Å; K80-F83 PolarHBondContact O-N 3.33Å; K80-F83 VanDerWaalsContact O-N 3.16Å; K80-E84 PolarHBondContact O-N 3.48Å |
| 81 | E | 98.8 | Very high | 98.7 | Very high | 143 Ų | 143 | 105.7 Ų | 105.7 | 67% | 0.668 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.8 | -45.2 | -178.8 | -177.4 | 179.6 | -146.8 | 0 | 0 | 110.8 | E77 E84 A85 | E77-E81 PolarHBondContact O-N 3.1Å; E81-E84 PolarHBondContact O-N 2.84Å; E81-A85 VanDerWaalsContact O-CB 3.26Å; E81-A85 WeakPolarHBondContact O-CB 3.26Å; E81-A85 PolarHBondContact O-N 2.96Å |
| 82 | K | 98.8 | Very high | 98.7 | Very high | 125 Ų | 125 | 108.1 Ų | 108.1 | 54% | 0.543 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 174.1 | -72.1 | 167 | -176 | 168.8 | 0 | 112.5 | S78 K80 Q86 | S78-K82 WeakPolarHBondContact O-CB 3.18Å; S78-K82 WeakPolarHBondContact O-CD 3.31Å; S78-K82 VanDerWaalsContact O-CG 3.24Å; S78-K82 WeakPolarHBondContact O-CG 3.48Å; S78-K82 PolarHBondContact O-N 3.1Å; S78-K82 VanDerWaalsContact O-N 3.1Å; S78-K82 PolarHBondContact OG-NZ 2.91Å; K80-K82 VanDerWaalsContact C-N 3.32Å; K80-K82 PolarHBondContact O-N 2.87Å; K82-Q86 WeakPolarHBondContact O-CB 3.32Å; K82-Q86 VanDerWaalsContact O-CG 3.32Å; K82-Q86 WeakPolarHBondContact O-CG 3.36Å; K82-Q86 PolarHBondContact O-N 3.1Å |
| 83 | F | 98.6 | Very high | 98.7 | Very high | 130 Ų | 130 | 109.2 Ų | 109.2 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.8 | -47.5 | 177.5 | 175.1 | -92.8 | 0 | 0 | 0 | 111.9 | I79 K80 Q86 H87 | I79-F83 WeakPolarHBondContact O-CB 3.48Å; I79-F83 PolarHBondContact O-N 2.85Å; K80-F83 PolarHBondContact O-N 3.33Å; K80-F83 VanDerWaalsContact O-N 3.16Å; F83-Q86 PolarHBondContact O-N 3.42Å; F83-H87 HydrophobicContact CE1-CB 4.47Å; F83-H87 WeakPolarHBondContact O-CB 3.38Å; F83-H87 PolarHBondContact O-N 2.92Å |
| 84 | E | 98.8 | Very high | 98.7 | Very high | 110 Ų | 110 | 106.3 Ų | 106.3 | 51% | 0.514 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.7 | -38.4 | 179.8 | -165.6 | 63.1 | -119.1 | 0 | 0 | 111.5 | K80 E81 H87 S88 | K80-E84 PolarHBondContact O-N 3.48Å; E81-E84 PolarHBondContact O-N 2.84Å; E84-H87 PolarHBondContact O-N 3.16Å; E84-H87 IonicContact OE1-ND1 3.64Å; E84-S88 VanDerWaalsContact O-CB 3.31Å; E84-S88 WeakPolarHBondContact O-CB 3.49Å; E84-S88 PolarHBondContact O-N 3.42Å; E84-S88 PolarHBondContact O-OG 3.47Å; E84-S88 VanDerWaalsContact O-OG 3.1Å |
| 85 | A | 98.6 | Very high | 98.7 | Very high | 53 Ų | 53 | 101.8 Ų | 101.8 | 44% | 0.438 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59 | -53 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E81 H87 S88 E89 | E81-A85 VanDerWaalsContact O-CB 3.26Å; E81-A85 WeakPolarHBondContact O-CB 3.26Å; E81-A85 PolarHBondContact O-N 2.96Å; A85-H87 VanDerWaalsContact C-N 3.35Å; A85-H87 PolarHBondContact O-N 3.33Å; A85-S88 PolarHBondContact O-N 3.44Å; A85-S88 PolarHBondContact O-OG 2.89Å; A85-E89 WeakPolarHBondContact O-CB 3.25Å; A85-E89 PolarHBondContact O-N 3.45Å |
| 86 | Q | 98.6 | Very high | 98.7 | Very high | 134 Ų | 134 | 100.6 Ų | 100.6 | 63% | 0.626 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62 | -39.4 | 177.5 | -73.8 | 178.7 | -21.4 | 0 | 0 | 112.7 | K82 F83 A90 | K82-Q86 WeakPolarHBondContact O-CB 3.32Å; K82-Q86 VanDerWaalsContact O-CG 3.32Å; K82-Q86 WeakPolarHBondContact O-CG 3.36Å; K82-Q86 PolarHBondContact O-N 3.1Å; F83-Q86 PolarHBondContact O-N 3.42Å; Q86-A90 VanDerWaalsContact O-CB 3.25Å; Q86-A90 WeakPolarHBondContact O-CB 3.17Å; Q86-A90 PolarHBondContact O-N 2.99Å |
| 87 | H | 98.7 | Very high | 98.7 | Very high | 99 Ų | 99 | 100.3 Ų | 100.3 | 46% | 0.458 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.8 | -44.3 | 177.8 | 179.2 | -110.4 | 0 | 0 | 0 | 111.6 | F83 E84 A85 A90 F91 | F83-H87 HydrophobicContact CE1-CB 4.47Å; F83-H87 WeakPolarHBondContact O-CB 3.38Å; F83-H87 PolarHBondContact O-N 2.92Å; E84-H87 PolarHBondContact O-N 3.16Å; E84-H87 IonicContact OE1-ND1 3.64Å; A85-H87 VanDerWaalsContact C-N 3.35Å; A85-H87 PolarHBondContact O-N 3.33Å; H87-A90 PolarHBondContact O-N 2.73Å; H87-F91 VanDerWaalsContact O-CB 3.32Å; H87-F91 WeakPolarHBondContact O-CB 3.32Å; H87-F91 PolarHBondContact O-N 3.4Å |
| 88 | S | 98.8 | Very high | 98.7 | Very high | 65 Ų | 65 | 101.5 Ų | 101.5 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.3 | -36.9 | 176.7 | 70.4 | 0 | 0 | 0 | 0 | 112.8 | E84 A85 R92 | E84-S88 VanDerWaalsContact O-CB 3.31Å; E84-S88 WeakPolarHBondContact O-CB 3.49Å; E84-S88 PolarHBondContact O-N 3.42Å; E84-S88 PolarHBondContact O-OG 3.47Å; E84-S88 VanDerWaalsContact O-OG 3.1Å; A85-S88 PolarHBondContact O-N 3.44Å; A85-S88 PolarHBondContact O-OG 2.89Å; S88-R92 WeakPolarHBondContact O-CB 3.4Å; S88-R92 PolarHBondContact O-N 2.96Å |
| 89 | E | 98.7 | Very high | 98.7 | Very high | 129 Ų | 129 | 104.4 Ų | 104.4 | 60% | 0.603 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.3 | -47 | 173.3 | -179.2 | 168.8 | -145.9 | 0 | 0 | 111.7 | A85 F91 R92 H93 | A85-E89 WeakPolarHBondContact O-CB 3.25Å; A85-E89 PolarHBondContact O-N 3.45Å; E89-F91 PolarHBondContact O-N 2.82Å; E89-R92 PolarHBondContact O-N 3.35Å; E89-H93 WeakPolarHBondContact O-CB 3.45Å; E89-H93 PolarHBondContact O-N 3.43Å |
| 90 | A | 98.6 | Very high | 98.7 | Very high | 48 Ų | 48 | 102.7 Ų | 102.7 | 40% | 0.397 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q86 H87 H93 I94 | Q86-A90 VanDerWaalsContact O-CB 3.25Å; Q86-A90 WeakPolarHBondContact O-CB 3.17Å; Q86-A90 PolarHBondContact O-N 2.99Å; H87-A90 PolarHBondContact O-N 2.73Å; A90-H93 PolarHBondContact O-N 2.9Å; A90-I94 WeakPolarHBondContact O-CB 3.49Å; A90-I94 VanDerWaalsContact O-CG1 3.26Å; A90-I94 WeakPolarHBondContact O-CG1 3.47Å; A90-I94 PolarHBondContact O-N 3.34Å |
| 91 | F | 98.8 | Very high | 98.7 | Very high | 142 Ų | 142 | 102 Ų | 102 | 62% | 0.623 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.1 | -44.4 | 175.2 | -175.1 | -92.8 | 0 | 0 | 0 | 111.8 | H87 E89 H93 I94 S95 | H87-F91 VanDerWaalsContact O-CB 3.32Å; H87-F91 WeakPolarHBondContact O-CB 3.32Å; H87-F91 PolarHBondContact O-N 3.4Å; E89-F91 PolarHBondContact O-N 2.82Å; F91-H93 VanDerWaalsContact C-N 3.35Å; F91-H93 PolarHBondContact O-N 2.98Å; F91-I94 PolarHBondContact O-N 3.24Å; F91-S95 PolarHBondContact O-N 3.45Å |
| 92 | R | 98.8 | Very high | 98.7 | Very high | 165 Ų | 165 | 97.8 Ų | 97.8 | 62% | 0.623 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.1 | -41.7 | 176 | -165 | -174.4 | 76.8 | 82.9 | -1.2 | 111.8 | S88 E89 S95 T96 | S88-R92 WeakPolarHBondContact O-CB 3.4Å; S88-R92 PolarHBondContact O-N 2.96Å; E89-R92 PolarHBondContact O-N 3.35Å; R92-S95 PolarHBondContact O-N 2.97Å; R92-T96 PolarHBondContact O-N 3.35Å; R92-T96 VanDerWaalsContact O-N 3.12Å; R92-T96 PolarHBondContact O-OG1 3.47Å |
| 93 | H | 98.7 | Very high | 98.7 | Very high | 110 Ų | 110 | 98.1 Ų | 98.1 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.3 | -42 | 178.6 | -173.9 | 42.4 | 0 | 0 | 0 | 112.1 | E89 A90 F91 T96 L97 | E89-H93 WeakPolarHBondContact O-CB 3.45Å; E89-H93 PolarHBondContact O-N 3.43Å; A90-H93 PolarHBondContact O-N 2.9Å; F91-H93 VanDerWaalsContact C-N 3.35Å; F91-H93 PolarHBondContact O-N 2.98Å; H93-T96 PolarHBondContact O-N 3.4Å; H93-L97 WeakPolarHBondContact O-CG 3.26Å; H93-L97 PolarHBondContact O-N 2.96Å |
| 94 | I | 98.8 | Very high | 98.7 | Very high | 93 Ų | 93 | 96.3 Ų | 96.3 | 48% | 0.477 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59 | -48.7 | 173.4 | -70.3 | 164 | 0 | 0 | 0 | 110.2 | A90 F91 T96 L97 E98 | A90-I94 WeakPolarHBondContact O-CB 3.49Å; A90-I94 VanDerWaalsContact O-CG1 3.26Å; A90-I94 WeakPolarHBondContact O-CG1 3.47Å; A90-I94 PolarHBondContact O-N 3.34Å; F91-I94 PolarHBondContact O-N 3.24Å; I94-T96 VanDerWaalsContact C-N 3.34Å; I94-T96 PolarHBondContact O-N 2.98Å; I94-L97 PolarHBondContact O-N 3.22Å; I94-L97 VanDerWaalsContact O-N 3.1Å; I94-E98 HydrophobicContact CG2-CG 4.31Å; I94-E98 WeakPolarHBondContact O-CG 3.38Å; I94-E98 PolarHBondContact O-N 3.46Å |
| 95 | S | 98.8 | Very high | 98.7 | Very high | 49 Ų | 49 | 95.4 Ų | 95.4 | 34% | 0.343 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -55.7 | -46.5 | 178 | -171 | 0 | 0 | 0 | 0 | 112.1 | F91 R92 L97 E98 D99 | F91-S95 PolarHBondContact O-N 3.45Å; R92-S95 PolarHBondContact O-N 2.97Å; S95-L97 PolarHBondContact O-N 2.87Å; S95-E98 PolarHBondContact O-N 3.1Å; S95-D99 PolarHBondContact O-N 3.12Å |
| 96 | T | 98.8 | Very high | 98.7 | Very high | 57 Ų | 57 | 95.8 Ų | 95.8 | 35% | 0.35 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 176.7 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | R92 H93 I94 E98 D99 D100 | R92-T96 PolarHBondContact O-N 3.35Å; R92-T96 VanDerWaalsContact O-N 3.12Å; R92-T96 PolarHBondContact O-OG1 3.47Å; H93-T96 PolarHBondContact O-N 3.4Å; I94-T96 VanDerWaalsContact C-N 3.34Å; I94-T96 PolarHBondContact O-N 2.98Å; T96-E98 VanDerWaalsContact C-N 3.32Å; T96-E98 PolarHBondContact O-N 3.36Å; T96-D99 PolarHBondContact O-N 3.02Å; T96-D100 WeakPolarHBondContact O-CB 3.49Å; T96-D100 VanDerWaalsContact O-CG 3.24Å; T96-D100 PolarHBondContact O-N 2.89Å |
| 97 | L | 98.7 | Very high | 98.7 | Very high | 89 Ų | 89 | 92.8 Ų | 92.8 | 47% | 0.466 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.8 | -30 | 176.5 | -69.3 | 174.3 | 0 | 0 | 0 | 113 | H93 I94 S95 L101 | H93-L97 WeakPolarHBondContact O-CG 3.26Å; H93-L97 PolarHBondContact O-N 2.96Å; I94-L97 PolarHBondContact O-N 3.22Å; I94-L97 VanDerWaalsContact O-N 3.1Å; S95-L97 PolarHBondContact O-N 2.87Å; L97-L101 WeakPolarHBondContact O-CB 3.41Å; L97-L101 PolarHBondContact O-N 3.21Å; L97-L101 VanDerWaalsContact O-N 3.09Å |
| 98 | E | 98.7 | Very high | 98.7 | Very high | 129 Ų | 129 | 94.2 Ų | 94.2 | 60% | 0.603 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -71.5 | -39.9 | 173.6 | -71.6 | -172.6 | 137.2 | 0 | 0 | 111.8 | I94 S95 T96 A102 | I94-E98 HydrophobicContact CG2-CG 4.31Å; I94-E98 WeakPolarHBondContact O-CG 3.38Å; I94-E98 PolarHBondContact O-N 3.46Å; S95-E98 PolarHBondContact O-N 3.1Å; T96-E98 VanDerWaalsContact C-N 3.32Å; T96-E98 PolarHBondContact O-N 3.36Å; E98-A102 WeakPolarHBondContact O-CB 3.07Å; E98-A102 PolarHBondContact O-N 3.32Å |
| 99 | D | 98.8 | Very high | 98.8 | Very high | 101 Ų | 101 | 94.5 Ų | 94.5 | 54% | 0.54 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.5 | -51.5 | 173.3 | -70.6 | -39.5 | 0 | 0 | 0 | 111.6 | S95 T96 L101 A102 E103 | S95-D99 PolarHBondContact O-N 3.12Å; T96-D99 PolarHBondContact O-N 3.02Å; D99-L101 PolarHBondContact O-N 2.97Å; D99-A102 WeakPolarHBondContact O-CA 3.45Å; D99-A102 WeakPolarHBondContact O-CB 3.27Å; D99-A102 PolarHBondContact O-N 2.96Å; D99-E103 PolarHBondContact O-N 3.09Å |
| 100 | D | 98.8 | Very high | 98.8 | Very high | 81 Ų | 81 | 93.9 Ų | 93.9 | 43% | 0.433 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.3 | -40.2 | 176.5 | -72.8 | -16.4 | 0 | 0 | 0 | 111.5 | T96 T104 | T96-D100 WeakPolarHBondContact O-CB 3.49Å; T96-D100 VanDerWaalsContact O-CG 3.24Å; T96-D100 PolarHBondContact O-N 2.89Å; D100-T104 VanDerWaalsContact O-CB 3.27Å; D100-T104 WeakPolarHBondContact O-CB 3.4Å; D100-T104 PolarHBondContact O-N 3.29Å; D100-T104 PolarHBondContact O-OG1 2.88Å |
| 101 | L | 98.8 | Very high | 98.8 | Very high | 91 Ų | 91 | 95.9 Ų | 95.9 | 48% | 0.476 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.3 | -34.4 | 176.8 | -178.7 | 67.6 | 0 | 0 | 0 | 111.8 | L97 D99 K105 | L97-L101 WeakPolarHBondContact O-CB 3.41Å; L97-L101 PolarHBondContact O-N 3.21Å; L97-L101 VanDerWaalsContact O-N 3.09Å; D99-L101 PolarHBondContact O-N 2.97Å; L101-K105 HydrophobicContact CG-CD 4.34Å; L101-K105 WeakPolarHBondContact O-CB 3.42Å; L101-K105 VanDerWaalsContact O-CD 3.25Å; L101-K105 WeakPolarHBondContact O-CD 3.45Å; L101-K105 WeakPolarHBondContact O-CG 3.42Å; L101-K105 PolarHBondContact O-N 2.88Å; L101-K105 VanDerWaalsContact O-N 3.08Å |
| 102 | A | 98.8 | Very high | 98.8 | Very high | 53 Ų | 53 | 93.1 Ų | 93.1 | 44% | 0.438 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.1 | -44.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | E98 D99 K105 A106 | E98-A102 WeakPolarHBondContact O-CB 3.07Å; E98-A102 PolarHBondContact O-N 3.32Å; D99-A102 WeakPolarHBondContact O-CA 3.45Å; D99-A102 WeakPolarHBondContact O-CB 3.27Å; D99-A102 PolarHBondContact O-N 2.96Å; A102-K105 PolarHBondContact O-N 2.98Å; A102-A106 PolarHBondContact O-N 3.45Å |
| 103 | E | 98.8 | Very high | 98.8 | Very high | 132 Ų | 132 | 90.9 Ų | 90.9 | 62% | 0.617 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.5 | -49.5 | 173.4 | -177 | 173.4 | -176 | 0 | 0 | 110.8 | D99 K105 A106 V107 | D99-E103 PolarHBondContact O-N 3.09Å; E103-K105 VanDerWaalsContact C-N 3.26Å; E103-K105 PolarHBondContact O-N 3.28Å; E103-A106 WeakPolarHBondContact O-CB 3.46Å; E103-A106 PolarHBondContact O-N 3.35Å; E103-V107 HydrophobicContact CG-CG2 4.18Å; E103-V107 WeakPolarHBondContact O-CG2 3.43Å; E103-V107 PolarHBondContact O-N 3.43Å |
| 104 | T | 98.7 | Very high | 98.8 | Very high | 92 Ų | 92 | 91.2 Ų | 91.2 | 56% | 0.564 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -57.8 | -38 | 178.5 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | D100 R108 | D100-T104 VanDerWaalsContact O-CB 3.27Å; D100-T104 WeakPolarHBondContact O-CB 3.4Å; D100-T104 PolarHBondContact O-N 3.29Å; D100-T104 PolarHBondContact O-OG1 2.88Å; T104-R108 WeakPolarHBondContact O-CB 3.43Å; T104-R108 PolarHBondContact O-N 3.28Å; T104-R108 VanDerWaalsContact O-N 3.11Å |
| 105 | K | 98.8 | Very high | 98.8 | Very high | 92 Ų | 92 | 90.3 Ų | 90.3 | 40% | 0.4 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.7 | -47.1 | 172.8 | -75.3 | 161.2 | -176.6 | 163 | 0 | 111.4 | L101 A102 E103 R108 D109 | L101-K105 HydrophobicContact CG-CD 4.34Å; L101-K105 WeakPolarHBondContact O-CB 3.42Å; L101-K105 VanDerWaalsContact O-CD 3.25Å; L101-K105 WeakPolarHBondContact O-CD 3.45Å; L101-K105 WeakPolarHBondContact O-CG 3.42Å; L101-K105 PolarHBondContact O-N 2.88Å; L101-K105 VanDerWaalsContact O-N 3.08Å; A102-K105 PolarHBondContact O-N 2.98Å; E103-K105 VanDerWaalsContact C-N 3.26Å; E103-K105 PolarHBondContact O-N 3.28Å; K105-R108 PolarHBondContact O-N 2.75Å; K105-R108 PolarHBondContact O-NH2 2.92Å; K105-D109 WeakPolarHBondContact O-CB 3.37Å; K105-D109 PolarHBondContact O-N 2.88Å |
| 106 | A | 98.8 | Very high | 98.8 | Very high | 61 Ų | 61 | 94.5 Ų | 94.5 | 50% | 0.504 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A102 E103 D109 H110 | A102-A106 PolarHBondContact O-N 3.45Å; E103-A106 WeakPolarHBondContact O-CB 3.46Å; E103-A106 PolarHBondContact O-N 3.35Å; A106-D109 PolarHBondContact O-N 2.89Å; A106-H110 WeakPolarHBondContact O-CB 3.25Å; A106-H110 PolarHBondContact O-N 3.41Å |
| 107 | V | 98.8 | Very high | 98.8 | Very high | 71 Ų | 71 | 97.1 Ų | 97.1 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 176.2 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | E103 D109 H110 L111 | E103-V107 HydrophobicContact CG-CG2 4.18Å; E103-V107 WeakPolarHBondContact O-CG2 3.43Å; E103-V107 PolarHBondContact O-N 3.43Å; V107-D109 VanDerWaalsContact C-N 3.33Å; V107-D109 PolarHBondContact O-N 3.42Å; V107-H110 PolarHBondContact O-N 3Å; V107-L111 HydrophobicContact CG1-CD1 4.04Å; V107-L111 HydrophobicContact CG1-CG 4.5Å; V107-L111 WeakPolarHBondContact O-CG 3.15Å; V107-L111 PolarHBondContact O-N 3.31Å |
| 108 | R | 98.8 | Very high | 98.8 | Very high | 128 Ų | 128 | 96.9 Ų | 96.9 | 48% | 0.483 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -56.6 | -47.1 | 173.6 | 178.4 | -156.9 | 61.7 | -120.8 | -7.6 | 111.4 | T104 K105 H110 L111 Q112 | T104-R108 WeakPolarHBondContact O-CB 3.43Å; T104-R108 PolarHBondContact O-N 3.28Å; T104-R108 VanDerWaalsContact O-N 3.11Å; K105-R108 PolarHBondContact O-N 2.75Å; K105-R108 PolarHBondContact O-NH2 2.92Å; R108-H110 VanDerWaalsContact C-N 3.3Å; R108-H110 PolarHBondContact O-N 3.24Å; R108-L111 PolarHBondContact O-N 2.96Å; R108-Q112 VanDerWaalsContact O-CB 3.28Å; R108-Q112 WeakPolarHBondContact O-CB 3.45Å; R108-Q112 PolarHBondContact O-N 3.11Å |
| 109 | D | 98.8 | Very high | 98.8 | Very high | 72 Ų | 72 | 96.1 Ų | 96.1 | 39% | 0.385 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -73.3 | -23.3 | -175.2 | -65.5 | -17.4 | 0 | 0 | 0 | 112.8 | K105 A106 V107 K113 | K105-D109 WeakPolarHBondContact O-CB 3.37Å; K105-D109 PolarHBondContact O-N 2.88Å; A106-D109 PolarHBondContact O-N 2.89Å; V107-D109 VanDerWaalsContact C-N 3.33Å; V107-D109 PolarHBondContact O-N 3.42Å; D109-K113 WeakPolarHBondContact O-CD 3.29Å; D109-K113 VanDerWaalsContact O-CG 3.32Å; D109-K113 WeakPolarHBondContact O-CG 3.43Å; D109-K113 PolarHBondContact O-N 2.84Å |
| 110 | H | 98.8 | Very high | 98.8 | Very high | 115 Ų | 115 | 97.3 Ų | 97.3 | 53% | 0.532 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.4 | -51.9 | 166.1 | 173.5 | 55.8 | 0 | 0 | 0 | 111.6 | A106 V107 R108 Q112 K113 Y114 | A106-H110 WeakPolarHBondContact O-CB 3.25Å; A106-H110 PolarHBondContact O-N 3.41Å; V107-H110 PolarHBondContact O-N 3Å; R108-H110 VanDerWaalsContact C-N 3.3Å; R108-H110 PolarHBondContact O-N 3.24Å; H110-Q112 PolarHBondContact O-N 2.93Å; H110-K113 WeakPolarHBondContact O-CA 3.32Å; H110-K113 WeakPolarHBondContact O-CB 3.39Å; H110-K113 PolarHBondContact O-N 3.03Å; H110-Y114 PolarHBondContact O-N 3.06Å |
| 111 | L | 98.8 | Very high | 98.8 | Very high | 90 Ų | 90 | 97.1 Ų | 97.1 | 47% | 0.471 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.4 | -38.6 | 176.9 | -70.1 | 172 | 0 | 0 | 0 | 111.8 | V107 R108 K113 Y114 I115 | V107-L111 HydrophobicContact CG1-CD1 4.04Å; V107-L111 HydrophobicContact CG1-CG 4.5Å; V107-L111 WeakPolarHBondContact O-CG 3.15Å; V107-L111 PolarHBondContact O-N 3.31Å; R108-L111 PolarHBondContact O-N 2.96Å; L111-K113 VanDerWaalsContact C-N 3.29Å; L111-K113 PolarHBondContact O-N 2.83Å; L111-Y114 PolarHBondContact O-N 2.89Å; L111-I115 VanDerWaalsContact O-CG1 3.29Å; L111-I115 WeakPolarHBondContact O-CG1 3.41Å; L111-I115 PolarHBondContact O-N 3.08Å |
| 112 | Q | 98.9 | Very high | 98.8 | Very high | 85 Ų | 85 | 96.7 Ų | 96.7 | 40% | 0.397 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.4 | -22.3 | 177.5 | -169.1 | 62.5 | 87.9 | 0 | 0 | 113.4 | R108 H110 R116 | R108-Q112 VanDerWaalsContact O-CB 3.28Å; R108-Q112 WeakPolarHBondContact O-CB 3.45Å; R108-Q112 PolarHBondContact O-N 3.11Å; H110-Q112 PolarHBondContact O-N 2.93Å; Q112-R116 PolarHBondContact O-NH1 3.28Å |
| 113 | K | 98.9 | Very high | 98.8 | Very high | 118 Ų | 118 | 99.3 Ų | 99.3 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -77.3 | -49.8 | 167.6 | -69.9 | 162.1 | -174 | 172.2 | 0 | 110.4 | D109 H110 L111 I115 R116 E117 | D109-K113 WeakPolarHBondContact O-CD 3.29Å; D109-K113 VanDerWaalsContact O-CG 3.32Å; D109-K113 WeakPolarHBondContact O-CG 3.43Å; D109-K113 PolarHBondContact O-N 2.84Å; H110-K113 WeakPolarHBondContact O-CA 3.32Å; H110-K113 WeakPolarHBondContact O-CB 3.39Å; H110-K113 PolarHBondContact O-N 3.03Å; L111-K113 VanDerWaalsContact C-N 3.29Å; L111-K113 PolarHBondContact O-N 2.83Å; K113-I115 VanDerWaalsContact C-N 3.27Å; K113-I115 PolarHBondContact O-N 2.69Å; K113-R116 WeakPolarHBondContact O-CA 3.49Å; K113-R116 WeakPolarHBondContact O-CB 3.28Å; K113-R116 PolarHBondContact O-N 3.04Å; K113-E117 PolarHBondContact O-N 2.86Å |
| 114 | Y | 98.9 | Very high | 98.8 | Very high | 116 Ų | 116 | 96.9 Ų | 96.9 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.6 | -37 | -179.9 | -175.7 | -120.3 | 0 | 0 | 0 | 113.1 | H110 L111 R116 E117 L118 | H110-Y114 PolarHBondContact O-N 3.06Å; L111-Y114 PolarHBondContact O-N 2.89Å; Y114-R116 VanDerWaalsContact C-N 3.33Å; Y114-R116 PolarHBondContact O-N 2.96Å; Y114-E117 PolarHBondContact O-N 2.97Å; Y114-L118 HydrophobicContact CD1-CD1 4.02Å; Y114-L118 HydrophobicContact CE1-CD1 3.63Å; Y114-L118 HydrophobicContact CE1-CG 4.24Å; Y114-L118 HydrophobicContact CE2-CD2 4.34Å; Y114-L118 HydrophobicContact CE2-CG 4.25Å; Y114-L118 WeakPolarHBondContact O-CG 3.26Å; Y114-L118 PolarHBondContact O-N 3.41Å |
| 115 | I | 98.8 | Very high | 98.8 | Very high | 75 Ų | 75 | 98 Ų | 98 | 39% | 0.385 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.3 | -44.2 | 171.4 | -73 | 164.1 | 0 | 0 | 0 | 111.5 | L111 K113 L118 E119 | L111-I115 VanDerWaalsContact O-CG1 3.29Å; L111-I115 WeakPolarHBondContact O-CG1 3.41Å; L111-I115 PolarHBondContact O-N 3.08Å; K113-I115 VanDerWaalsContact C-N 3.27Å; K113-I115 PolarHBondContact O-N 2.69Å; I115-L118 PolarHBondContact O-N 3.25Å; I115-E119 HydrophobicContact CG2-CG 4.39Å; I115-E119 VanDerWaalsContact O-CG 3.26Å; I115-E119 WeakPolarHBondContact O-CG 3.43Å; I115-E119 PolarHBondContact O-N 3.38Å |
| 116 | R | 98.8 | Very high | 98.8 | Very high | 137 Ų | 137 | 97.1 Ų | 97.1 | 52% | 0.517 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.6 | -33.9 | 178.9 | -61 | 179.7 | -170.8 | 106.4 | -7.7 | 112.7 | Q112 K113 Y114 E119 Q120 | Q112-R116 PolarHBondContact O-NH1 3.28Å; K113-R116 WeakPolarHBondContact O-CA 3.49Å; K113-R116 WeakPolarHBondContact O-CB 3.28Å; K113-R116 PolarHBondContact O-N 3.04Å; Y114-R116 VanDerWaalsContact C-N 3.33Å; Y114-R116 PolarHBondContact O-N 2.96Å; R116-E119 WeakPolarHBondContact CA-OE2 3.28Å; R116-E119 PolarHBondContact O-N 3.26Å; R116-Q120 WeakPolarHBondContact O-CB 3.38Å; R116-Q120 PolarHBondContact O-N 3.42Å |
| 117 | E | 98.8 | Very high | 98.8 | Very high | 111 Ų | 111 | 103.2 Ų | 103.2 | 52% | 0.519 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.3 | -38.9 | 174.4 | -67.2 | 158.7 | -158.6 | 0 | 0 | 110.9 | K113 Y114 S121 | K113-E117 PolarHBondContact O-N 2.86Å; Y114-E117 PolarHBondContact O-N 2.97Å; E117-S121 VanDerWaalsContact O-CB 3.28Å; E117-S121 WeakPolarHBondContact O-CB 3.41Å; E117-S121 PolarHBondContact O-N 2.89Å |
| 118 | L | 98.8 | Very high | 98.8 | Very high | 84 Ų | 84 | 103.8 Ų | 103.8 | 44% | 0.44 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.3 | -41.5 | 172 | -69.4 | 175.8 | 0 | 0 | 0 | 112.8 | Y114 I115 S121 N122 | Y114-L118 HydrophobicContact CD1-CD1 4.02Å; Y114-L118 HydrophobicContact CE1-CD1 3.63Å; Y114-L118 HydrophobicContact CE1-CG 4.24Å; Y114-L118 HydrophobicContact CE2-CD2 4.34Å; Y114-L118 HydrophobicContact CE2-CG 4.25Å; Y114-L118 WeakPolarHBondContact O-CG 3.26Å; Y114-L118 PolarHBondContact O-N 3.41Å; I115-L118 PolarHBondContact O-N 3.25Å; L118-S121 PolarHBondContact O-N 3Å; L118-N122 WeakPolarHBondContact O-CB 3.36Å; L118-N122 PolarHBondContact O-N 3.37Å |
| 119 | E | 98.8 | Very high | 98.8 | Very high | 114 Ų | 114 | 104.2 Ų | 104.2 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.8 | -49.7 | 174.3 | -74.1 | 165.8 | 162.9 | 0 | 0 | 110.6 | I115 R116 N122 D123 | I115-E119 HydrophobicContact CG2-CG 4.39Å; I115-E119 VanDerWaalsContact O-CG 3.26Å; I115-E119 WeakPolarHBondContact O-CG 3.43Å; I115-E119 PolarHBondContact O-N 3.38Å; R116-E119 WeakPolarHBondContact CA-OE2 3.28Å; R116-E119 PolarHBondContact O-N 3.26Å; E119-N122 PolarHBondContact O-N 2.85Å; E119-D123 PolarHBondContact O-N 3.45Å |
| 120 | Q | 98.8 | Very high | 98.8 | Very high | 126 Ų | 126 | 108.4 Ų | 108.4 | 59% | 0.589 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.9 | -45.1 | 176.5 | -176 | -176.9 | -22.8 | 0 | 0 | 112.2 | R116 N122 D123 D124 | R116-Q120 WeakPolarHBondContact O-CB 3.38Å; R116-Q120 PolarHBondContact O-N 3.42Å; Q120-N122 VanDerWaalsContact C-N 3.25Å; Q120-N122 PolarHBondContact O-N 3.31Å; Q120-D123 PolarHBondContact O-N 2.86Å; Q120-D124 PolarHBondContact O-N 3.31Å |
| 121 | S | 98.8 | Very high | 98.8 | Very high | 76 Ų | 76 | 105.4 Ų | 105.4 | 53% | 0.531 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.8 | -35.1 | 178 | -172.8 | 0 | 0 | 0 | 0 | 112.2 | E117 L118 L125 | E117-S121 VanDerWaalsContact O-CB 3.28Å; E117-S121 WeakPolarHBondContact O-CB 3.41Å; E117-S121 PolarHBondContact O-N 2.89Å; L118-S121 PolarHBondContact O-N 3Å; S121-L125 VanDerWaalsContact O-CB 3.32Å; S121-L125 WeakPolarHBondContact O-CB 3.49Å; S121-L125 PolarHBondContact O-N 3.48Å |
| 122 | N | 98.8 | Very high | 98.8 | Very high | 82 Ų | 82 | 104.9 Ų | 104.9 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.6 | -40.7 | 174.1 | -175.1 | 72 | 0 | 0 | 0 | 112.6 | L118 E119 Q120 L125 E126 | L118-N122 WeakPolarHBondContact O-CB 3.36Å; L118-N122 PolarHBondContact O-N 3.37Å; E119-N122 PolarHBondContact O-N 2.85Å; Q120-N122 VanDerWaalsContact C-N 3.25Å; Q120-N122 PolarHBondContact O-N 3.31Å; N122-L125 PolarHBondContact O-N 3.29Å; N122-E126 WeakPolarHBondContact O-CB 3.43Å; N122-E126 PolarHBondContact O-N 2.94Å |
| 123 | D | 98.9 | Very high | 98.8 | Very high | 108 Ų | 108 | 104.2 Ų | 104.2 | 58% | 0.578 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.2 | -42.2 | 174 | -86.5 | -12.5 | 0 | 0 | 0 | 111.9 | E119 Q120 E126 R127 | E119-D123 PolarHBondContact O-N 3.45Å; Q120-D123 PolarHBondContact O-N 2.86Å; D123-E126 PolarHBondContact O-N 3.26Å; D123-R127 VanDerWaalsContact O-CB 3.31Å; D123-R127 WeakPolarHBondContact O-CB 3.37Å; D123-R127 PolarHBondContact O-N 3.42Å |
| 124 | D | 98.8 | Very high | 98.8 | Very high | 82 Ų | 82 | 104 Ų | 104 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.2 | -35.6 | 175.8 | -80.3 | -37.5 | 0 | 0 | 0 | 112.2 | Q120 R127 T128 | Q120-D124 PolarHBondContact O-N 3.31Å; D124-R127 PolarHBondContact O-N 2.93Å; D124-T128 WeakPolarHBondContact O-CB 3.32Å; D124-T128 PolarHBondContact O-N 3.35Å; D124-T128 PolarHBondContact O-OG1 3.1Å |
| 125 | L | 98.8 | Very high | 98.8 | Very high | 114 Ų | 114 | 101.9 Ų | 101.9 | 60% | 0.597 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.4 | -43.7 | 172.5 | -179.2 | 62.8 | 0 | 0 | 0 | 111.8 | S121 N122 T128 K129 | S121-L125 VanDerWaalsContact O-CB 3.32Å; S121-L125 WeakPolarHBondContact O-CB 3.49Å; S121-L125 PolarHBondContact O-N 3.48Å; N122-L125 PolarHBondContact O-N 3.29Å; L125-T128 PolarHBondContact O-N 2.98Å; L125-K129 WeakPolarHBondContact O-CB 3.39Å; L125-K129 PolarHBondContact O-N 2.72Å |
| 126 | E | 98.8 | Very high | 98.8 | Very high | 75 Ų | 75 | 103 Ų | 103 | 35% | 0.35 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 174.1 | -84 | -149.5 | -147 | 0 | 0 | 112.1 | N122 D123 T128 K129 R130 | N122-E126 WeakPolarHBondContact O-CB 3.43Å; N122-E126 PolarHBondContact O-N 2.94Å; D123-E126 PolarHBondContact O-N 3.26Å; E126-T128 VanDerWaalsContact C-N 3.32Å; E126-T128 PolarHBondContact O-N 3.05Å; E126-K129 PolarHBondContact O-N 3.49Å; E126-R130 VanDerWaalsContact O-CG 3.24Å; E126-R130 WeakPolarHBondContact O-CG 3.38Å; E126-R130 PolarHBondContact O-N 2.84Å; E126-R130 IonicContact OE2-CZ 3.22Å; E126-R130 IonicContact OE2-NE 2.87Å; E126-R130 IonicContact OE2-NH2 2.71Å; E126-R130 PolarHBondContact OE2-NH2 2.71Å |
| 127 | R | 98.8 | Very high | 98.7 | Very high | 188 Ų | 188 | 101 Ų | 101 | 71% | 0.709 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -57.6 | -46.5 | 173.8 | -174.4 | -172.9 | -173.5 | 99.3 | 5.8 | 111.1 | D123 D124 R130 A131 | D123-R127 VanDerWaalsContact O-CB 3.31Å; D123-R127 WeakPolarHBondContact O-CB 3.37Å; D123-R127 PolarHBondContact O-N 3.42Å; D124-R127 PolarHBondContact O-N 2.93Å; R127-R130 PolarHBondContact O-N 3.24Å; R127-A131 PolarHBondContact O-N 3.09Å; R127-A131 VanDerWaalsContact O-N 3.08Å |
| 128 | T | 98.8 | Very high | 98.7 | Very high | 84 Ų | 84 | 99.2 Ų | 99.2 | 52% | 0.515 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 177.9 | -57.3 | 0 | 0 | 0 | 0 | 111 | D124 L125 E126 R130 A131 T132 | D124-T128 WeakPolarHBondContact O-CB 3.32Å; D124-T128 PolarHBondContact O-N 3.35Å; D124-T128 PolarHBondContact O-OG1 3.1Å; L125-T128 PolarHBondContact O-N 2.98Å; E126-T128 VanDerWaalsContact C-N 3.32Å; E126-T128 PolarHBondContact O-N 3.05Å; T128-R130 PolarHBondContact O-N 3Å; T128-A131 PolarHBondContact O-N 3.35Å; T128-T132 PolarHBondContact O-N 3.22Å; T128-T132 PolarHBondContact O-OG1 3.5Å |
| 129 | K | 98.8 | Very high | 98.7 | Very high | 136 Ų | 136 | 101 Ų | 101 | 59% | 0.591 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -55.8 | -46 | 175.4 | 177.5 | -176.9 | 175.2 | -175 | 0 | 112.2 | L125 E126 T132 I133 | L125-K129 WeakPolarHBondContact O-CB 3.39Å; L125-K129 PolarHBondContact O-N 2.72Å; E126-K129 PolarHBondContact O-N 3.49Å; K129-T132 PolarHBondContact O-N 3.36Å; K129-I133 HydrophobicContact CG-CD1 3.95Å; K129-I133 VanDerWaalsContact O-CG1 3.32Å; K129-I133 WeakPolarHBondContact O-CG1 3.42Å; K129-I133 PolarHBondContact O-N 2.95Å |
| 130 | R | 98.8 | Very high | 98.7 | Very high | 160 Ų | 160 | 100.6 Ų | 100.6 | 60% | 0.604 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.4 | -41.1 | 178.2 | -67.2 | 168.2 | -160.1 | -178.7 | 8.1 | 111.7 | E126 R127 T128 I133 M134 | E126-R130 VanDerWaalsContact O-CG 3.24Å; E126-R130 WeakPolarHBondContact O-CG 3.38Å; E126-R130 PolarHBondContact O-N 2.84Å; E126-R130 IonicContact OE2-CZ 3.22Å; E126-R130 IonicContact OE2-NE 2.87Å; E126-R130 IonicContact OE2-NH2 2.71Å; E126-R130 PolarHBondContact OE2-NH2 2.71Å; R127-R130 PolarHBondContact O-N 3.24Å; T128-R130 PolarHBondContact O-N 3Å; R130-I133 PolarHBondContact O-N 2.98Å; R130-M134 PolarHBondContact O-N 3.19Å; R130-M134 VanDerWaalsContact O-N 3.09Å |
| 131 | A | 98.8 | Very high | 98.7 | Very high | 53 Ų | 53 | 99.6 Ų | 99.6 | 44% | 0.438 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R127 T128 S135 | R127-A131 PolarHBondContact O-N 3.09Å; R127-A131 VanDerWaalsContact O-N 3.08Å; T128-A131 PolarHBondContact O-N 3.35Å; A131-S135 WeakPolarHBondContact O-CB 3.31Å; A131-S135 PolarHBondContact O-N 3.47Å |
| 132 | T | 98.8 | Very high | 98.7 | Very high | 78 Ų | 78 | 102.9 Ų | 102.9 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 175.4 | -58.9 | 0 | 0 | 0 | 0 | 112 | T128 K129 S135 L136 | T128-T132 PolarHBondContact O-N 3.22Å; T128-T132 PolarHBondContact O-OG1 3.5Å; K129-T132 PolarHBondContact O-N 3.36Å; T132-S135 PolarHBondContact O-N 3.42Å; T132-L136 HydrophobicContact CG2-CD1 4.28Å; T132-L136 WeakPolarHBondContact O-CG 3.32Å; T132-L136 PolarHBondContact O-N 3.34Å |
| 133 | I | 98.8 | Very high | 98.7 | Very high | 72 Ų | 72 | 103.3 Ų | 103.3 | 37% | 0.369 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.8 | -51.2 | 176.9 | -70.7 | 165.3 | 0 | 0 | 0 | 110.4 | K129 R130 S135 L136 E137 | K129-I133 HydrophobicContact CG-CD1 3.95Å; K129-I133 VanDerWaalsContact O-CG1 3.32Å; K129-I133 WeakPolarHBondContact O-CG1 3.42Å; K129-I133 PolarHBondContact O-N 2.95Å; R130-I133 PolarHBondContact O-N 2.98Å; I133-S135 VanDerWaalsContact C-N 3.27Å; I133-S135 PolarHBondContact O-N 3.18Å; I133-L136 WeakPolarHBondContact O-CA 3.42Å; I133-L136 WeakPolarHBondContact O-CB 3.44Å; I133-L136 PolarHBondContact O-N 3.27Å; I133-E137 HydrophobicContact CG2-CG 4.31Å; I133-E137 WeakPolarHBondContact CG2-OE1 3.4Å; I133-E137 WeakPolarHBondContact O-CG 3.31Å; I133-E137 PolarHBondContact O-N 2.76Å |
| 134 | M | 98.7 | Very high | 98.7 | Very high | 112 Ų | 112 | 102 Ų | 102 | 55% | 0.552 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -57.8 | -38.7 | 177.3 | -173.2 | -178.3 | 72 | 0 | 0 | 112.3 | R130 L136 E137 D138 | R130-M134 PolarHBondContact O-N 3.19Å; R130-M134 VanDerWaalsContact O-N 3.09Å; M134-L136 VanDerWaalsContact C-N 3.3Å; M134-L136 PolarHBondContact O-N 2.98Å; M134-E137 PolarHBondContact O-N 2.97Å; M134-D138 WeakPolarHBondContact O-CB 3.46Å; M134-D138 PolarHBondContact O-N 2.86Å |
| 135 | S | 98.6 | Very high | 98.7 | Very high | 72 Ų | 72 | 101.9 Ų | 101.9 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.3 | -22.5 | 176.1 | -173.6 | 0 | 0 | 0 | 0 | 114.1 | A131 T132 I133 F139 | A131-S135 WeakPolarHBondContact O-CB 3.31Å; A131-S135 PolarHBondContact O-N 3.47Å; T132-S135 PolarHBondContact O-N 3.42Å; I133-S135 VanDerWaalsContact C-N 3.27Å; I133-S135 PolarHBondContact O-N 3.18Å; S135-F139 PolarHBondContact O-N 3.02Å |
| 136 | L | 98.6 | Very high | 98.6 | Very high | 98 Ų | 98 | 100.1 Ų | 100.1 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -80.6 | -45.9 | 172.1 | -69.8 | 168 | 0 | 0 | 0 | 110.3 | T132 I133 M134 D138 F139 E140 | T132-L136 HydrophobicContact CG2-CD1 4.28Å; T132-L136 WeakPolarHBondContact O-CG 3.32Å; T132-L136 PolarHBondContact O-N 3.34Å; I133-L136 WeakPolarHBondContact O-CA 3.42Å; I133-L136 WeakPolarHBondContact O-CB 3.44Å; I133-L136 PolarHBondContact O-N 3.27Å; M134-L136 VanDerWaalsContact C-N 3.3Å; M134-L136 PolarHBondContact O-N 2.98Å; L136-D138 VanDerWaalsContact C-N 3.29Å; L136-D138 PolarHBondContact O-N 3.29Å; L136-F139 CarbonylContact O-C 3.59Å; L136-F139 WeakPolarHBondContact O-CA 3.45Å; L136-F139 WeakPolarHBondContact O-CB 3.24Å; L136-F139 PolarHBondContact O-N 2.84Å; L136-E140 WeakPolarHBondContact O-CG 3.49Å; L136-E140 PolarHBondContact O-N 3Å |
| 137 | E | 98.6 | Very high | 98.6 | Very high | 96 Ų | 96 | 101.1 Ų | 101.1 | 45% | 0.449 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.5 | -42.3 | 174.2 | -67.8 | 169.1 | 167.9 | 0 | 0 | 111.4 | I133 M134 F139 E140 Q141 | I133-E137 HydrophobicContact CG2-CG 4.31Å; I133-E137 WeakPolarHBondContact CG2-OE1 3.4Å; I133-E137 WeakPolarHBondContact O-CG 3.31Å; I133-E137 PolarHBondContact O-N 2.76Å; M134-E137 PolarHBondContact O-N 2.97Å; E137-F139 VanDerWaalsContact C-N 3.27Å; E137-F139 PolarHBondContact O-N 2.94Å; E137-E140 PolarHBondContact O-N 3.23Å; E137-Q141 WeakPolarHBondContact O-CB 3.28Å; E137-Q141 VanDerWaalsContact O-CG 3.27Å; E137-Q141 WeakPolarHBondContact O-CG 3.42Å; E137-Q141 PolarHBondContact O-N 2.86Å; E137-Q141 PolarHBondContact O-NE2 3.27Å |
| 138 | D | 98.6 | Very high | 98.6 | Very high | 73 Ų | 73 | 98.3 Ų | 98.3 | 39% | 0.39 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.9 | -28.5 | 173.2 | -87.2 | -9.6 | 0 | 0 | 0 | 113.2 | M134 L136 R142 | M134-D138 WeakPolarHBondContact O-CB 3.46Å; M134-D138 PolarHBondContact O-N 2.86Å; L136-D138 VanDerWaalsContact C-N 3.29Å; L136-D138 PolarHBondContact O-N 3.29Å; D138-R142 WeakPolarHBondContact O-CG 3.47Å; D138-R142 PolarHBondContact O-N 3.03Å; D138-R142 PolarHBondContact O-NE 3.08Å; D138-R142 PolarHBondContact O-NH2 3.2Å |
| 139 | F | 98.5 | Very high | 98.6 | Very high | 122 Ų | 122 | 101 Ų | 101 | 54% | 0.535 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -80.8 | -44.7 | 176.6 | -179.8 | -92.8 | 0 | 0 | 0 | 111.1 | S135 L136 E137 Q141 R142 M143 | S135-F139 PolarHBondContact O-N 3.02Å; L136-F139 CarbonylContact O-C 3.59Å; L136-F139 WeakPolarHBondContact O-CA 3.45Å; L136-F139 WeakPolarHBondContact O-CB 3.24Å; L136-F139 PolarHBondContact O-N 2.84Å; E137-F139 VanDerWaalsContact C-N 3.27Å; E137-F139 PolarHBondContact O-N 2.94Å; F139-Q141 PolarHBondContact O-N 2.85Å; F139-R142 PolarHBondContact O-N 2.98Å; F139-R142 VanDerWaalsContact O-N 3.16Å; F139-M143 HydrophobicContact CE1-SD 4.18Å; F139-M143 WeakPolarHBondContact O-CB 3.5Å; F139-M143 PolarHBondContact O-N 3.34Å |
| 140 | E | 98.6 | Very high | 98.5 | Very high | 106 Ų | 106 | 98.3 Ų | 98.3 | 50% | 0.495 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.2 | -45.9 | 175.2 | -70.4 | 175.1 | 170 | 0 | 0 | 111.4 | L136 E137 R142 M143 N144 | L136-E140 WeakPolarHBondContact O-CG 3.49Å; L136-E140 PolarHBondContact O-N 3Å; E137-E140 PolarHBondContact O-N 3.23Å; E140-R142 VanDerWaalsContact C-N 3.35Å; E140-R142 PolarHBondContact O-N 3.49Å; E140-M143 PolarHBondContact O-N 3.46Å; E140-N144 WeakPolarHBondContact O-CB 3.37Å; E140-N144 PolarHBondContact O-N 2.83Å; E140-N144 PolarHBondContact O-ND2 3.01Å |
| 141 | Q | 98.7 | Very high | 98.5 | Very high | 105 Ų | 105 | 93.1 Ų | 93.1 | 49% | 0.491 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.4 | -43.6 | 173.9 | -75.4 | 174.5 | 62.8 | 0 | 0 | 112.5 | E137 F139 N144 Q145 | E137-Q141 WeakPolarHBondContact O-CB 3.28Å; E137-Q141 VanDerWaalsContact O-CG 3.27Å; E137-Q141 WeakPolarHBondContact O-CG 3.42Å; E137-Q141 PolarHBondContact O-N 2.86Å; E137-Q141 PolarHBondContact O-NE2 3.27Å; F139-Q141 PolarHBondContact O-N 2.85Å; Q141-N144 PolarHBondContact O-N 3.34Å; Q141-Q145 WeakPolarHBondContact O-CG 3.41Å; Q141-Q145 PolarHBondContact O-N 2.94Å; Q141-Q145 VanDerWaalsContact O-N 3.08Å |
| 142 | R | 98.4 | Very high | 98.5 | Very high | 144 Ų | 144 | 96.5 Ų | 96.5 | 54% | 0.543 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.4 | -37.6 | 177.2 | -82.5 | 177.7 | -76.9 | 176 | -5.5 | 112.2 | D138 F139 E140 V146 | D138-R142 WeakPolarHBondContact O-CG 3.47Å; D138-R142 PolarHBondContact O-N 3.03Å; D138-R142 PolarHBondContact O-NE 3.08Å; D138-R142 PolarHBondContact O-NH2 3.2Å; F139-R142 PolarHBondContact O-N 2.98Å; F139-R142 VanDerWaalsContact O-N 3.16Å; E140-R142 VanDerWaalsContact C-N 3.35Å; E140-R142 PolarHBondContact O-N 3.49Å; R142-V146 WeakPolarHBondContact O-CG2 3.48Å; R142-V146 PolarHBondContact O-N 2.85Å |
| 143 | M | 98.5 | Very high | 98.4 | Very high | 92 Ų | 92 | 97 Ų | 97 | 45% | 0.453 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 176 | -173 | 169.3 | 66 | 0 | 0 | 111.3 | F139 E140 Q145 V146 I147 | F139-M143 HydrophobicContact CE1-SD 4.18Å; F139-M143 WeakPolarHBondContact O-CB 3.5Å; F139-M143 PolarHBondContact O-N 3.34Å; E140-M143 PolarHBondContact O-N 3.46Å; M143-Q145 PolarHBondContact O-N 3.33Å; M143-V146 WeakPolarHBondContact O-CA 3.45Å; M143-V146 WeakPolarHBondContact O-CB 3.19Å; M143-V146 PolarHBondContact O-N 3.35Å; M143-I147 HydrophobicContact CG-CD1 4.17Å; M143-I147 WeakPolarHBondContact O-CG1 3.44Å; M143-I147 PolarHBondContact O-N 3.39Å |
| 144 | N | 98.5 | Very high | 98.4 | Very high | 79 Ų | 79 | 99.1 Ų | 99.1 | 42% | 0.422 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.3 | -45 | 175.6 | -68.3 | -16.3 | 0 | 0 | 0 | 111.5 | E140 Q141 V146 I147 E148 | E140-N144 WeakPolarHBondContact O-CB 3.37Å; E140-N144 PolarHBondContact O-N 2.83Å; E140-N144 PolarHBondContact O-ND2 3.01Å; Q141-N144 PolarHBondContact O-N 3.34Å; N144-V146 PolarHBondContact O-N 2.93Å; N144-I147 WeakPolarHBondContact O-CB 3.41Å; N144-I147 PolarHBondContact O-N 2.86Å; N144-I147 VanDerWaalsContact O-N 3.11Å; N144-E148 WeakPolarHBondContact O-CG 3.31Å; N144-E148 PolarHBondContact O-N 3.39Å |
| 145 | Q | 98.4 | Very high | 98.3 | Very high | 81 Ų | 81 | 96.2 Ų | 96.2 | 38% | 0.379 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.5 | -19.7 | 174.2 | -68.3 | 178 | 32.6 | 0 | 0 | 114.3 | Q141 M143 R149 | Q141-Q145 WeakPolarHBondContact O-CG 3.41Å; Q141-Q145 PolarHBondContact O-N 2.94Å; Q141-Q145 VanDerWaalsContact O-N 3.08Å; M143-Q145 PolarHBondContact O-N 3.33Å; Q145-R149 VanDerWaalsContact O-CG 3.29Å; Q145-R149 WeakPolarHBondContact O-CG 3.41Å; Q145-R149 PolarHBondContact O-N 3.15Å; Q145-R149 PolarHBondContact O-NH1 3Å |
| 146 | V | 98.6 | Very high | 98.3 | Very high | 77 Ų | 77 | 97.5 Ų | 97.5 | 47% | 0.467 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -82.2 | -40.2 | 171.9 | 170.3 | 0 | 0 | 0 | 0 | 110.1 | R142 M143 N144 R149 N150 | R142-V146 WeakPolarHBondContact O-CG2 3.48Å; R142-V146 PolarHBondContact O-N 2.85Å; M143-V146 WeakPolarHBondContact O-CA 3.45Å; M143-V146 WeakPolarHBondContact O-CB 3.19Å; M143-V146 PolarHBondContact O-N 3.35Å; N144-V146 PolarHBondContact O-N 2.93Å; V146-R149 PolarHBondContact O-N 2.62Å; V146-N150 VanDerWaalsContact O-CG 3.31Å; V146-N150 PolarHBondContact O-N 3Å |
| 147 | I | 98.2 | Very high | 98.2 | Very high | 95 Ų | 95 | 97.7 Ų | 97.7 | 49% | 0.487 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 173.8 | -65.4 | 164.2 | 0 | 0 | 0 | 110.7 | M143 N144 R149 N150 A151 | M143-I147 HydrophobicContact CG-CD1 4.17Å; M143-I147 WeakPolarHBondContact O-CG1 3.44Å; M143-I147 PolarHBondContact O-N 3.39Å; N144-I147 WeakPolarHBondContact O-CB 3.41Å; N144-I147 PolarHBondContact O-N 2.86Å; N144-I147 VanDerWaalsContact O-N 3.11Å; I147-R149 VanDerWaalsContact C-N 3.33Å; I147-R149 PolarHBondContact O-N 3.41Å; I147-N150 PolarHBondContact O-N 3.47Å; I147-A151 PolarHBondContact O-N 2.83Å |
| 148 | E | 98.1 | Very high | 98.2 | Very high | 129 Ų | 129 | 97.7 Ų | 97.7 | 60% | 0.603 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -57.2 | -42.5 | 175.7 | -72.8 | 168.2 | 178.7 | 0 | 0 | 112.5 | N144 F152 | N144-E148 WeakPolarHBondContact O-CG 3.31Å; N144-E148 PolarHBondContact O-N 3.39Å; E148-F152 PolarHBondContact O-N 3.16Å; E148-F152 VanDerWaalsContact O-N 3.1Å |
| 149 | R | 98.3 | Very high | 98.1 | Very high | 141 Ų | 141 | 100.7 Ų | 100.7 | 53% | 0.532 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.8 | -37.1 | 177.2 | -72.9 | -179.7 | -168 | 100.4 | -0.8 | 112.5 | Q145 V146 I147 F152 L153 | Q145-R149 VanDerWaalsContact O-CG 3.29Å; Q145-R149 WeakPolarHBondContact O-CG 3.41Å; Q145-R149 PolarHBondContact O-N 3.15Å; Q145-R149 PolarHBondContact O-NH1 3Å; V146-R149 PolarHBondContact O-N 2.62Å; I147-R149 VanDerWaalsContact C-N 3.33Å; I147-R149 PolarHBondContact O-N 3.41Å; R149-F152 PolarHBondContact O-N 3.42Å; R149-L153 VanDerWaalsContact O-CG 3.28Å; R149-L153 WeakPolarHBondContact O-CG 3.43Å; R149-L153 PolarHBondContact O-N 3.05Å |
| 150 | N | 97.8 | Very high | 98.1 | Very high | 79 Ų | 79 | 100.9 Ų | 100.9 | 42% | 0.422 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.5 | -46.7 | 175.5 | -72.7 | -8 | 0 | 0 | 0 | 111 | V146 I147 F152 L153 E154 | V146-N150 VanDerWaalsContact O-CG 3.31Å; V146-N150 PolarHBondContact O-N 3Å; I147-N150 PolarHBondContact O-N 3.47Å; N150-F152 VanDerWaalsContact C-N 3.27Å; N150-F152 PolarHBondContact O-N 2.96Å; N150-L153 CarbonylContact O-C 3.59Å; N150-L153 PolarHBondContact O-N 2.93Å; N150-L153 VanDerWaalsContact O-N 3.12Å; N150-E154 WeakPolarHBondContact O-CB 3.36Å; N150-E154 WeakPolarHBondContact O-CG 3.4Å; N150-E154 PolarHBondContact O-N 3.09Å |
| 151 | A | 98.4 | Very high | 98 | Very high | 51 Ų | 51 | 101.9 Ų | 101.9 | 42% | 0.421 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.8 | -35.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I147 S155 | I147-A151 PolarHBondContact O-N 2.83Å; A151-S155 PolarHBondContact O-N 2.68Å; A151-S155 VanDerWaalsContact O-N 3.11Å |
| 152 | F | 98.1 | Very high | 98 | Very high | 125 Ų | 125 | 101.8 Ų | 101.8 | 55% | 0.548 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65 | -48 | 172 | -176.4 | -95.5 | 0 | 0 | 0 | 111.9 | E148 R149 N150 E154 S155 E156 | E148-F152 PolarHBondContact O-N 3.16Å; E148-F152 VanDerWaalsContact O-N 3.1Å; R149-F152 PolarHBondContact O-N 3.42Å; N150-F152 VanDerWaalsContact C-N 3.27Å; N150-F152 PolarHBondContact O-N 2.96Å; F152-E154 VanDerWaalsContact C-N 3.31Å; F152-E154 PolarHBondContact O-N 3.47Å; F152-S155 PolarHBondContact O-N 3.38Å; F152-S155 VanDerWaalsContact O-N 3.13Å; F152-S155 PolarHBondContact O-OG 3.28Å; F152-E156 HydrophobicContact CD1-CG 4.3Å; F152-E156 VanDerWaalsContact CE1-CD 3.47Å; F152-E156 HydrophobicContact CE1-CG 3.88Å; F152-E156 WeakPolarHBondContact CE1-OE1 3.43Å; F152-E156 HydrophobicContact CZ-CG 4.26Å; F152-E156 PolarHBondContact O-N 2.97Å |
| 153 | L | 97.8 | Very high | 97.9 | Very high | 87 Ų | 87 | 100.3 Ų | 100.3 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -34.3 | 177 | -70.6 | 167.7 | 0 | 0 | 0 | 112.9 | R149 N150 E156 L157 | R149-L153 VanDerWaalsContact O-CG 3.28Å; R149-L153 WeakPolarHBondContact O-CG 3.43Å; R149-L153 PolarHBondContact O-N 3.05Å; N150-L153 CarbonylContact O-C 3.59Å; N150-L153 PolarHBondContact O-N 2.93Å; N150-L153 VanDerWaalsContact O-N 3.12Å; L153-E156 PolarHBondContact O-N 3.48Å; L153-L157 WeakPolarHBondContact O-CG 3.48Å; L153-L157 PolarHBondContact O-N 3.28Å; L153-L157 VanDerWaalsContact O-N 3.08Å |
| 154 | E | 97.5 | Very high | 97.8 | Very high | 118 Ų | 118 | 101 Ų | 101 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.8 | -46.9 | 171.1 | -74.7 | 164.6 | -174 | 0 | 0 | 110 | N150 F152 E156 L157 D158 | N150-E154 WeakPolarHBondContact O-CB 3.36Å; N150-E154 WeakPolarHBondContact O-CG 3.4Å; N150-E154 PolarHBondContact O-N 3.09Å; F152-E154 VanDerWaalsContact C-N 3.31Å; F152-E154 PolarHBondContact O-N 3.47Å; E154-E156 PolarHBondContact O-N 3.04Å; E154-L157 WeakPolarHBondContact O-CB 3.38Å; E154-L157 PolarHBondContact O-N 2.92Å; E154-L157 VanDerWaalsContact O-N 3.08Å; E154-D158 PolarHBondContact O-N 3.28Å |
| 155 | S | 97.6 | Very high | 97.8 | Very high | 50 Ų | 50 | 101.6 Ų | 101.6 | 35% | 0.35 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.5 | -34.6 | 175.7 | 69.2 | 0 | 0 | 0 | 0 | 114.3 | A151 F152 L157 D158 E159 | A151-S155 PolarHBondContact O-N 2.68Å; A151-S155 VanDerWaalsContact O-N 3.11Å; F152-S155 PolarHBondContact O-N 3.38Å; F152-S155 VanDerWaalsContact O-N 3.13Å; F152-S155 PolarHBondContact O-OG 3.28Å; S155-L157 VanDerWaalsContact C-N 3.29Å; S155-L157 PolarHBondContact O-N 3.44Å; S155-D158 PolarHBondContact O-N 2.78Å; S155-E159 PolarHBondContact O-N 3.43Å |
| 156 | E | 97.6 | Very high | 97.6 | Very high | 99 Ų | 99 | 100.4 Ų | 100.4 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.6 | -29.7 | 172.2 | -70.2 | -169.4 | 140.4 | 0 | 0 | 112.5 | F152 L153 E154 K160 | F152-E156 HydrophobicContact CD1-CG 4.3Å; F152-E156 VanDerWaalsContact CE1-CD 3.47Å; F152-E156 HydrophobicContact CE1-CG 3.88Å; F152-E156 WeakPolarHBondContact CE1-OE1 3.43Å; F152-E156 HydrophobicContact CZ-CG 4.26Å; F152-E156 PolarHBondContact O-N 2.97Å; L153-E156 PolarHBondContact O-N 3.48Å; E154-E156 PolarHBondContact O-N 3.04Å; E156-K160 VanDerWaalsContact O-CB 3.29Å; E156-K160 WeakPolarHBondContact O-CB 3.38Å; E156-K160 PolarHBondContact O-N 3.49Å |
| 157 | L | 98.1 | Very high | 97.5 | Very high | 103 Ų | 103 | 100 Ų | 100 | 54% | 0.539 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -75 | -41 | 173.5 | -69.8 | 171.3 | 0 | 0 | 0 | 111.6 | L153 E154 S155 K160 E161 | L153-L157 WeakPolarHBondContact O-CG 3.48Å; L153-L157 PolarHBondContact O-N 3.28Å; L153-L157 VanDerWaalsContact O-N 3.08Å; E154-L157 WeakPolarHBondContact O-CB 3.38Å; E154-L157 PolarHBondContact O-N 2.92Å; E154-L157 VanDerWaalsContact O-N 3.08Å; S155-L157 VanDerWaalsContact C-N 3.29Å; S155-L157 PolarHBondContact O-N 3.44Å; L157-K160 HydrophobicContact CD2-CD 4.5Å; L157-K160 WeakPolarHBondContact O-CB 3.32Å; L157-K160 PolarHBondContact O-N 3.33Å; L157-E161 PolarHBondContact O-N 3.27Å |
| 158 | D | 97.6 | Very high | 97.4 | Very high | 95 Ų | 95 | 99.4 Ų | 99.4 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 175 | -70.7 | -11.1 | 0 | 0 | 0 | 111.4 | E154 S155 K160 E161 N162 | E154-D158 PolarHBondContact O-N 3.28Å; S155-D158 PolarHBondContact O-N 2.78Å; D158-K160 VanDerWaalsContact C-N 3.27Å; D158-K160 PolarHBondContact O-N 2.92Å; D158-E161 PolarHBondContact O-N 3.44Å; D158-N162 PolarHBondContact O-N 2.93Å; D158-N162 PolarHBondContact O-ND2 3.5Å |
| 159 | E | 97.4 | Very high | 97.3 | Very high | 137 Ų | 137 | 100.3 Ų | 100.3 | 64% | 0.64 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.7 | -41.1 | 175 | -77.8 | -168.3 | -176.1 | 0 | 0 | 111.6 | S155 N162 L163 | S155-E159 PolarHBondContact O-N 3.43Å; E159-N162 PolarHBondContact O-N 2.91Å; E159-L163 WeakPolarHBondContact O-CB 3.33Å; E159-L163 WeakPolarHBondContact O-CG 3.37Å; E159-L163 PolarHBondContact O-N 2.98Å |
| 160 | K | 97.6 | Very high | 97.2 | Very high | 126 Ų | 126 | 98.5 Ų | 98.5 | 55% | 0.548 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.4 | -37.5 | 176.9 | 177.4 | -174.8 | 173.1 | -169.4 | 0 | 112.5 | E156 L157 D158 L163 L164 | E156-K160 VanDerWaalsContact O-CB 3.29Å; E156-K160 WeakPolarHBondContact O-CB 3.38Å; E156-K160 PolarHBondContact O-N 3.49Å; L157-K160 HydrophobicContact CD2-CD 4.5Å; L157-K160 WeakPolarHBondContact O-CB 3.32Å; L157-K160 PolarHBondContact O-N 3.33Å; D158-K160 VanDerWaalsContact C-N 3.27Å; D158-K160 PolarHBondContact O-N 2.92Å; K160-L163 PolarHBondContact O-N 3.27Å; K160-L164 HydrophobicContact CG-CD1 4.41Å; K160-L164 VanDerWaalsContact O-CG 3.28Å; K160-L164 WeakPolarHBondContact O-CG 3.37Å; K160-L164 PolarHBondContact O-N 2.9Å |
| 161 | E | 97.7 | Very high | 97.1 | Very high | 127 Ų | 127 | 100.2 Ų | 100.2 | 59% | 0.593 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.4 | -45.5 | 173.7 | -176.5 | 155.6 | -130.8 | 0 | 0 | 111.3 | L157 D158 L163 L164 E165 | L157-E161 PolarHBondContact O-N 3.27Å; D158-E161 PolarHBondContact O-N 3.44Å; E161-L163 VanDerWaalsContact C-N 3.27Å; E161-L163 PolarHBondContact O-N 3.11Å; E161-L164 WeakPolarHBondContact O-CB 3.44Å; E161-L164 PolarHBondContact O-N 3.27Å; E161-E165 PolarHBondContact O-N 2.93Å |
| 162 | N | 97.6 | Very high | 97 | Very high | 102 Ų | 102 | 100 Ų | 100 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.7 | -37.6 | 173.7 | -79 | -78.6 | 0 | 0 | 0 | 112.8 | D158 E159 S166 | D158-N162 PolarHBondContact O-N 2.93Å; D158-N162 PolarHBondContact O-ND2 3.5Å; E159-N162 PolarHBondContact O-N 2.91Å; N162-S166 WeakPolarHBondContact O-CB 3.36Å; N162-S166 PolarHBondContact O-N 3.33Å; N162-S166 PolarHBondContact O-OG 3.5Å |
| 163 | L | 96.8 | Very high | 96.8 | Very high | 113 Ų | 113 | 99.2 Ų | 99.2 | 59% | 0.592 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -69.8 | -38.6 | 173.2 | -74.6 | 171.5 | 0 | 0 | 0 | 112.4 | E159 K160 E161 S166 V167 | E159-L163 WeakPolarHBondContact O-CB 3.33Å; E159-L163 WeakPolarHBondContact O-CG 3.37Å; E159-L163 PolarHBondContact O-N 2.98Å; K160-L163 PolarHBondContact O-N 3.27Å; E161-L163 VanDerWaalsContact C-N 3.27Å; E161-L163 PolarHBondContact O-N 3.11Å; L163-S166 PolarHBondContact O-N 3.36Å; L163-V167 WeakPolarHBondContact O-CB 3.39Å; L163-V167 VanDerWaalsContact O-CG2 3.28Å; L163-V167 WeakPolarHBondContact O-CG2 3.35Å; L163-V167 PolarHBondContact O-N 2.85Å |
| 164 | L | 97.1 | Very high | 96.6 | Very high | 107 Ų | 107 | 96.9 Ų | 96.9 | 56% | 0.56 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65 | -42.6 | 175.2 | -75.1 | 167.7 | 0 | 0 | 0 | 111.7 | K160 E161 V167 Q168 | K160-L164 HydrophobicContact CG-CD1 4.41Å; K160-L164 VanDerWaalsContact O-CG 3.28Å; K160-L164 WeakPolarHBondContact O-CG 3.37Å; K160-L164 PolarHBondContact O-N 2.9Å; E161-L164 WeakPolarHBondContact O-CB 3.44Å; E161-L164 PolarHBondContact O-N 3.27Å; L164-V167 PolarHBondContact O-N 3.49Å; L164-Q168 WeakPolarHBondContact O-CB 3.41Å; L164-Q168 PolarHBondContact O-N 3.27Å |
| 165 | E | 96.8 | Very high | 96.4 | Very high | 91 Ų | 91 | 97.1 Ų | 97.1 | 43% | 0.425 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.7 | -50.4 | 169.9 | -87.3 | -147.5 | -142.9 | 0 | 0 | 111.7 | E161 V167 Q168 R169 | E161-E165 PolarHBondContact O-N 2.93Å; E165-V167 VanDerWaalsContact C-N 3.33Å; E165-V167 PolarHBondContact O-N 2.96Å; E165-Q168 WeakPolarHBondContact O-CA 3.41Å; E165-Q168 WeakPolarHBondContact O-CB 3.27Å; E165-Q168 PolarHBondContact O-N 3.47Å; E165-R169 WeakPolarHBondContact O-CG 3.41Å; E165-R169 PolarHBondContact O-N 3.23Å; E165-R169 IonicContact OE2-CZ 3.52Å; E165-R169 IonicContact OE2-NE 3.33Å; E165-R169 PolarHBondContact OE2-NE 3.16Å; E165-R169 IonicContact OE2-NH2 3.61Å; E165-R169 PolarHBondContact OE2-NH2 2.86Å |
| 166 | S | 95.9 | Very high | 96.2 | Very high | 56 Ų | 56 | 98.9 Ų | 98.9 | 39% | 0.392 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | -179.1 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | N162 L163 Q168 R169 L170 | N162-S166 WeakPolarHBondContact O-CB 3.36Å; N162-S166 PolarHBondContact O-N 3.33Å; N162-S166 PolarHBondContact O-OG 3.5Å; L163-S166 PolarHBondContact O-N 3.36Å; S166-Q168 VanDerWaalsContact C-N 3.3Å; S166-Q168 PolarHBondContact O-N 3.48Å; S166-R169 PolarHBondContact O-N 2.96Å; S166-L170 WeakPolarHBondContact O-CB 3.43Å; S166-L170 VanDerWaalsContact O-CG 3.3Å; S166-L170 WeakPolarHBondContact O-CG 3.48Å; S166-L170 PolarHBondContact O-N 3.34Å |
| 167 | V | 96.3 | Very high | 95.9 | Very high | 69 Ų | 69 | 99 Ų | 99 | 42% | 0.418 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.6 | -33.1 | 173.3 | 165.6 | 0 | 0 | 0 | 0 | 111.7 | L163 L164 E165 K171 | L163-V167 WeakPolarHBondContact O-CB 3.39Å; L163-V167 VanDerWaalsContact O-CG2 3.28Å; L163-V167 WeakPolarHBondContact O-CG2 3.35Å; L163-V167 PolarHBondContact O-N 2.85Å; L164-V167 PolarHBondContact O-N 3.49Å; E165-V167 VanDerWaalsContact C-N 3.33Å; E165-V167 PolarHBondContact O-N 2.96Å; V167-K171 HydrophobicContact CG1-CD 4.3Å; V167-K171 WeakPolarHBondContact O-CD 3.46Å; V167-K171 WeakPolarHBondContact O-CG 3.45Å; V167-K171 PolarHBondContact O-N 3.47Å |
| 168 | Q | 96.1 | Very high | 95.5 | Very high | 83 Ų | 83 | 103 Ų | 103 | 39% | 0.388 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.3 | -47.8 | 176.3 | -174.5 | 53.3 | 38.2 | 0 | 0 | 111.7 | L164 E165 S166 L170 K171 D172 | L164-Q168 WeakPolarHBondContact O-CB 3.41Å; L164-Q168 PolarHBondContact O-N 3.27Å; E165-Q168 WeakPolarHBondContact O-CA 3.41Å; E165-Q168 WeakPolarHBondContact O-CB 3.27Å; E165-Q168 PolarHBondContact O-N 3.47Å; S166-Q168 VanDerWaalsContact C-N 3.3Å; S166-Q168 PolarHBondContact O-N 3.48Å; Q168-L170 VanDerWaalsContact C-N 3.34Å; Q168-L170 PolarHBondContact O-N 3.47Å; Q168-K171 WeakPolarHBondContact O-CB 3.44Å; Q168-K171 PolarHBondContact O-N 2.96Å; Q168-D172 VanDerWaalsContact NE2-CG 3.26Å; Q168-D172 PolarHBondContact NE2-OD1 3.2Å; Q168-D172 PolarHBondContact NE2-OD2 2.84Å; Q168-D172 PolarHBondContact O-N 3.39Å |
| 169 | R | 96.3 | Very high | 95.2 | Very high | 147 Ų | 147 | 103.6 Ų | 103.6 | 56% | 0.555 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -55.1 | -48 | 174 | -64.1 | 172.7 | -165.9 | -168.6 | 5.7 | 111.1 | E165 S166 K171 D172 E173 | E165-R169 WeakPolarHBondContact O-CG 3.41Å; E165-R169 PolarHBondContact O-N 3.23Å; E165-R169 IonicContact OE2-CZ 3.52Å; E165-R169 IonicContact OE2-NE 3.33Å; E165-R169 PolarHBondContact OE2-NE 3.16Å; E165-R169 IonicContact OE2-NH2 3.61Å; E165-R169 PolarHBondContact OE2-NH2 2.86Å; S166-R169 PolarHBondContact O-N 2.96Å; R169-K171 VanDerWaalsContact C-N 3.34Å; R169-K171 PolarHBondContact O-N 3.47Å; R169-D172 PolarHBondContact O-N 2.91Å; R169-D172 VanDerWaalsContact O-N 3.09Å; R169-E173 WeakPolarHBondContact O-CG 3.27Å; R169-E173 PolarHBondContact O-N 3.35Å |
| 170 | L | 95.2 | Very high | 94.7 | Very high | 104 Ų | 104 | 102 Ų | 102 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.9 | -32.7 | 175.7 | -72.9 | 170.9 | 0 | 0 | 0 | 113.9 | S166 Q168 A174 | S166-L170 WeakPolarHBondContact O-CB 3.43Å; S166-L170 VanDerWaalsContact O-CG 3.3Å; S166-L170 WeakPolarHBondContact O-CG 3.48Å; S166-L170 PolarHBondContact O-N 3.34Å; Q168-L170 VanDerWaalsContact C-N 3.34Å; Q168-L170 PolarHBondContact O-N 3.47Å; L170-A174 WeakPolarHBondContact O-CB 3.31Å; L170-A174 PolarHBondContact O-N 3.41Å |
| 171 | K | 95.7 | Very high | 94 | Very high | 114 Ų | 114 | 101.8 Ų | 101.8 | 50% | 0.496 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.9 | -35.7 | 172.5 | -77 | 163.9 | -174.7 | 163.7 | 0 | 112.1 | V167 Q168 R169 R175 | V167-K171 HydrophobicContact CG1-CD 4.3Å; V167-K171 WeakPolarHBondContact O-CD 3.46Å; V167-K171 WeakPolarHBondContact O-CG 3.45Å; V167-K171 PolarHBondContact O-N 3.47Å; Q168-K171 WeakPolarHBondContact O-CB 3.44Å; Q168-K171 PolarHBondContact O-N 2.96Å; R169-K171 VanDerWaalsContact C-N 3.34Å; R169-K171 PolarHBondContact O-N 3.47Å; K171-R175 PolarHBondContact O-N 2.84Å |
| 172 | D | 96.3 | Very high | 93.1 | Very high | 47 Ų | 47 | 98.5 Ų | 98.5 | 25% | 0.251 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -74.6 | -47.2 | -179.7 | -64.1 | -35.3 | 0 | 0 | 0 | 110 | Q168 R169 A174 R175 D176 | Q168-D172 VanDerWaalsContact NE2-CG 3.26Å; Q168-D172 PolarHBondContact NE2-OD1 3.2Å; Q168-D172 PolarHBondContact NE2-OD2 2.84Å; Q168-D172 PolarHBondContact O-N 3.39Å; R169-D172 PolarHBondContact O-N 2.91Å; R169-D172 VanDerWaalsContact O-N 3.09Å; D172-A174 VanDerWaalsContact C-N 3.32Å; D172-A174 PolarHBondContact O-N 3.01Å; D172-R175 CarbonylContact O-C 3.57Å; D172-R175 WeakPolarHBondContact O-CA 3.47Å; D172-R175 VanDerWaalsContact O-CB 3.27Å; D172-R175 WeakPolarHBondContact O-CB 3.29Å; D172-R175 PolarHBondContact O-N 2.89Å; D172-R175 IonicContact OD1-CZ 2.73Å; D172-R175 IonicContact OD1-NH1 3.03Å; D172-R175 PolarHBondContact OD1-NH1 3.4Å; D172-R175 IonicContact OD1-NH2 3.87Å; D172-R175 PolarHBondContact OD1-NH2 2.87Å; D172-D176 PolarHBondContact O-N 3.26Å |
| 173 | E | 94.1 | Very high | 92.2 | Very high | 109 Ų | 109 | 97.4 Ų | 97.4 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -54.1 | -45.2 | 168.3 | -71 | 170.9 | -154.4 | 0 | 0 | 112.2 | R169 R175 D176 L177 | R169-E173 WeakPolarHBondContact O-CG 3.27Å; R169-E173 PolarHBondContact O-N 3.35Å; E173-R175 PolarHBondContact O-N 3.33Å; E173-D176 PolarHBondContact O-N 3.13Å; E173-L177 WeakPolarHBondContact O-CB 3.48Å; E173-L177 WeakPolarHBondContact O-CG 3.47Å; E173-L177 PolarHBondContact O-N 2.89Å |
| 174 | A | 92.7 | Very high | 91.1 | Very high | 38 Ų | 38 | 98.4 Ų | 98.4 | 31% | 0.314 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.1 | -18.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L170 D172 R178 | L170-A174 WeakPolarHBondContact O-CB 3.31Å; L170-A174 PolarHBondContact O-N 3.41Å; D172-A174 VanDerWaalsContact C-N 3.32Å; D172-A174 PolarHBondContact O-N 3.01Å; A174-R178 WeakPolarHBondContact O-CD 3.49Å; A174-R178 WeakPolarHBondContact O-CG 3.47Å |
| 175 | R | 94.6 | Very high | 89.4 | Confident | 123 Ų | 123 | 100.8 Ų | 100.8 | 46% | 0.464 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -79.6 | -40 | 169.7 | -166.4 | -169.7 | -56.6 | 109.1 | 11.5 | 110.6 | K171 D172 E173 R178 Q179 | K171-R175 PolarHBondContact O-N 2.84Å; D172-R175 CarbonylContact O-C 3.57Å; D172-R175 WeakPolarHBondContact O-CA 3.47Å; D172-R175 VanDerWaalsContact O-CB 3.27Å; D172-R175 WeakPolarHBondContact O-CB 3.29Å; D172-R175 PolarHBondContact O-N 2.89Å; D172-R175 IonicContact OD1-CZ 2.73Å; D172-R175 IonicContact OD1-NH1 3.03Å; D172-R175 PolarHBondContact OD1-NH1 3.4Å; D172-R175 IonicContact OD1-NH2 3.87Å; D172-R175 PolarHBondContact OD1-NH2 2.87Å; E173-R175 PolarHBondContact O-N 3.33Å; R175-R178 PolarHBondContact O-N 3.25Å; R175-Q179 WeakPolarHBondContact O-CG 3.34Å; R175-Q179 PolarHBondContact O-N 2.96Å; R175-Q179 PolarHBondContact O-NE2 3.44Å; R175-Q179 VanDerWaalsContact O-NE2 3.13Å |
| 176 | D | 93.1 | Very high | 87.6 | Confident | 86 Ų | 86 | 105.8 Ų | 105.8 | 46% | 0.46 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -73.8 | -42.1 | -177.8 | -65.9 | -15.1 | 0 | 0 | 0 | 111.4 | D172 E173 R178 Q179 E180 | D172-D176 PolarHBondContact O-N 3.26Å; E173-D176 PolarHBondContact O-N 3.13Å; D176-R178 PolarHBondContact O-N 3.41Å; D176-Q179 CarbonylContact O-C 3.58Å; D176-Q179 WeakPolarHBondContact O-CA 3.45Å; D176-Q179 WeakPolarHBondContact O-CB 3.42Å; D176-Q179 PolarHBondContact O-N 2.98Å; D176-Q179 PolarHBondContact OD1-NE2 3.27Å; D176-E180 PolarHBondContact O-N 3.41Å |
| 177 | L | 91.3 | Very high | 85.7 | Confident | 102 Ų | 102 | 109.3 Ų | 109.3 | 53% | 0.534 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.2 | -32.2 | 170.3 | -70.4 | 172.3 | 0 | 0 | 0 | 112.8 | E173 L181 | E173-L177 WeakPolarHBondContact O-CB 3.48Å; E173-L177 WeakPolarHBondContact O-CG 3.47Å; E173-L177 PolarHBondContact O-N 2.89Å; L177-L181 WeakPolarHBondContact O-CB 3.34Å; L177-L181 VanDerWaalsContact O-CG 3.26Å; L177-L181 WeakPolarHBondContact O-CG 3.28Å; L177-L181 PolarHBondContact O-N 3.07Å |
| 178 | R | 90.6 | Very high | 83.4 | Confident | 188 Ų | 188 | 115.4 Ų | 115.4 | 71% | 0.709 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70.3 | -35.4 | 172.3 | -76.3 | 170.9 | -172.4 | 176.3 | 2.8 | 112.2 | A174 R175 D176 A182 | A174-R178 WeakPolarHBondContact O-CD 3.49Å; A174-R178 WeakPolarHBondContact O-CG 3.47Å; R175-R178 PolarHBondContact O-N 3.25Å; D176-R178 PolarHBondContact O-N 3.41Å; R178-A182 WeakPolarHBondContact O-CB 3.5Å; R178-A182 PolarHBondContact O-N 3.2Å |
| 179 | Q | 90.6 | Very high | 80.6 | Confident | 107 Ų | 107 | 122.4 Ų | 122.4 | 50% | 0.5 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.6 | -45.7 | 172.8 | -70.7 | 166.4 | 86.4 | 0 | 0 | 110.8 | R175 D176 L181 A182 V183 | R175-Q179 WeakPolarHBondContact O-CG 3.34Å; R175-Q179 PolarHBondContact O-N 2.96Å; R175-Q179 PolarHBondContact O-NE2 3.44Å; R175-Q179 VanDerWaalsContact O-NE2 3.13Å; D176-Q179 CarbonylContact O-C 3.58Å; D176-Q179 WeakPolarHBondContact O-CA 3.45Å; D176-Q179 WeakPolarHBondContact O-CB 3.42Å; D176-Q179 PolarHBondContact O-N 2.98Å; D176-Q179 PolarHBondContact OD1-NE2 3.27Å; Q179-L181 PolarHBondContact O-N 3.01Å; Q179-A182 PolarHBondContact O-N 3Å; Q179-V183 WeakPolarHBondContact O-CG2 3.5Å; Q179-V183 PolarHBondContact O-N 3.2Å |
| 180 | E | 87.1 | Confident | 78.3 | Confident | 104 Ų | 104 | 120.5 Ų | 120.5 | 49% | 0.486 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -56.9 | -46.1 | 173.4 | -78.4 | -157.3 | -159.6 | 0 | 0 | 112.2 | D176 A182 V183 R184 | D176-E180 PolarHBondContact O-N 3.41Å; E180-A182 PolarHBondContact O-N 3.5Å; E180-V183 PolarHBondContact O-N 2.97Å; E180-R184 WeakPolarHBondContact O-CB 3.48Å; E180-R184 WeakPolarHBondContact O-CG 3.34Å; E180-R184 PolarHBondContact O-N 3.36Å; E180-R184 IonicContact OE2-NH1 2.89Å; E180-R184 PolarHBondContact OE2-NH1 3.01Å |
| 181 | L | 81.9 | Confident | 75.4 | Confident | 120 Ų | 120 | 120.3 Ų | 120.3 | 63% | 0.628 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.3 | -40.1 | 177.1 | -76 | 170.2 | 0 | 0 | 0 | 111.9 | L177 Q179 R184 Q185 | L177-L181 WeakPolarHBondContact O-CB 3.34Å; L177-L181 VanDerWaalsContact O-CG 3.26Å; L177-L181 WeakPolarHBondContact O-CG 3.28Å; L177-L181 PolarHBondContact O-N 3.07Å; Q179-L181 PolarHBondContact O-N 3.01Å; L181-R184 PolarHBondContact O-N 2.81Å; L181-Q185 WeakPolarHBondContact O-CB 3.29Å; L181-Q185 PolarHBondContact O-N 2.86Å |
| 182 | A | 79.7 | Confident | 72.2 | Confident | 59 Ų | 59 | 120 Ų | 120 | 49% | 0.488 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.9 | -38.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R178 Q179 E180 K186 | R178-A182 WeakPolarHBondContact O-CB 3.5Å; R178-A182 PolarHBondContact O-N 3.2Å; Q179-A182 PolarHBondContact O-N 3Å; E180-A182 PolarHBondContact O-N 3.5Å; A182-K186 WeakPolarHBondContact O-CB 3.33Å; A182-K186 PolarHBondContact O-N 3.44Å; A182-K186 VanDerWaalsContact O-N 3.13Å |
| 183 | V | 78.8 | Confident | 69.3 | Low | 79 Ų | 79 | 122.6 Ų | 122.6 | 48% | 0.479 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.4 | -51.1 | 172.5 | 172 | 0 | 0 | 0 | 0 | 110.4 | Q179 E180 Q185 K186 E187 | Q179-V183 WeakPolarHBondContact O-CG2 3.5Å; Q179-V183 PolarHBondContact O-N 3.2Å; E180-V183 PolarHBondContact O-N 2.97Å; V183-Q185 VanDerWaalsContact C-N 3.26Å; V183-Q185 PolarHBondContact O-N 3.41Å; V183-K186 CarbonylContact O-C 3.5Å; V183-K186 WeakPolarHBondContact O-CA 3.44Å; V183-K186 WeakPolarHBondContact O-CB 3.28Å; V183-K186 PolarHBondContact O-N 3.24Å; V183-E187 HydrophobicContact CG1-CG 4.27Å; V183-E187 WeakPolarHBondContact O-CG 3.33Å; V183-E187 PolarHBondContact O-N 3.11Å |
| 184 | R | 72.5 | Confident | 66.5 | Low | 134 Ų | 134 | 126 Ų | 126 | 51% | 0.506 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -59.7 | -33.9 | 178.7 | -71 | -84.9 | 162.3 | 59.5 | -1.6 | 112.9 | E180 L181 E187 R188 | E180-R184 WeakPolarHBondContact O-CB 3.48Å; E180-R184 WeakPolarHBondContact O-CG 3.34Å; E180-R184 PolarHBondContact O-N 3.36Å; E180-R184 IonicContact OE2-NH1 2.89Å; E180-R184 PolarHBondContact OE2-NH1 3.01Å; L181-R184 PolarHBondContact O-N 2.81Å; R184-E187 IonicContact NE-OE2 3.44Å; R184-E187 PolarHBondContact O-N 3.08Å; R184-R188 PolarHBondContact O-N 3.5Å |
| 185 | Q | 62.4 | Low | 63.6 | Low | 157 Ų | 157 | 127.6 Ų | 127.6 | 73% | 0.734 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -73.2 | -27.6 | 174.6 | -173.2 | 173.5 | 5.1 | 0 | 0 | 112.5 | L181 V183 | L181-Q185 WeakPolarHBondContact O-CB 3.29Å; L181-Q185 PolarHBondContact O-N 2.86Å; V183-Q185 VanDerWaalsContact C-N 3.26Å; V183-Q185 PolarHBondContact O-N 3.41Å |
| 186 | K | 59.7 | Low | 60.8 | Low | 196 Ų | 196 | 130.2 Ų | 130.2 | 85% | 0.852 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -79.4 | -28.7 | 171.3 | -167.2 | 174 | -178.7 | -179.9 | 0 | 112.4 | A182 V183 | A182-K186 WeakPolarHBondContact O-CB 3.33Å; A182-K186 PolarHBondContact O-N 3.44Å; A182-K186 VanDerWaalsContact O-N 3.13Å; V183-K186 CarbonylContact O-C 3.5Å; V183-K186 WeakPolarHBondContact O-CA 3.44Å; V183-K186 WeakPolarHBondContact O-CB 3.28Å; V183-K186 PolarHBondContact O-N 3.24Å |
| 187 | E | 55.9 | Low | 58 | Low | 129 Ų | 129 | 131.8 Ų | 131.8 | 60% | 0.603 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -79.6 | -30 | 174.9 | -69.8 | 176.6 | 153.6 | 0 | 0 | 113.8 | V183 R184 | V183-E187 HydrophobicContact CG1-CG 4.27Å; V183-E187 WeakPolarHBondContact O-CG 3.33Å; V183-E187 PolarHBondContact O-N 3.11Å; R184-E187 IonicContact NE-OE2 3.44Å; R184-E187 PolarHBondContact O-N 3.08Å |
| 188 | R | 48 | Very low | 55.2 | Low | 198 Ų | 198 | 132.3 Ų | 132.3 | 75% | 0.747 | 68% | 0.682 | S | S | * | * | trans | -121.8 | 104.1 | -176.1 | -76.3 | -148.8 | -76.2 | -178.1 | -9.4 | 116 | R184 | R184-R188 PolarHBondContact O-N 3.5Š| ||
| 189 | R | 36.4 | Very low | 52.5 | Low | 230 Ų | 230 | 130.7 Ų | 130.7 | 87% | 0.868 | 69% | 0.688 | S | S | * | * | trans | -152.8 | 140.4 | 143.8 | -98.3 | -72.9 | -171.7 | 160.1 | 4.5 | 108.8 | ||||
| 190 | P | 48.6 | Very low | 50 | Low | 107 Ų | 107 | 134.7 Ų | 134.7 | 70% | 0.695 | 70% | 0.698 | S | S | * | * | S | Bend | cis | -132.7 | 130.1 | -6.6 | 36 | -17.2 | 0 | 0 | 0 | 116.2 | ||
| 191 | S | 32.9 | Very low | 47.5 | Very low | 99 Ų | 99 | 134.6 Ų | 134.6 | 69% | 0.692 | 71% | 0.71 | S | S | * | * | trans | -161.1 | 115.1 | 150.6 | 40.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 192 | S | 30 | Very low | 45.4 | Very low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | 53.4 | 132 | 83.9 | 71.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 193 | S | 34.1 | Very low | 43.5 | Very low | 102 Ų | 102 | 141.4 Ų | 141.4 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | cis | 175.5 | 177.4 | -5.5 | 42 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 194 | L | 34.8 | Very low | 41.5 | Very low | 181 Ų | 181 | 144.5 Ų | 144.5 | 95% | 0.948 | 74% | 0.743 | S | S | * | * | trans | 68.8 | 159.1 | 179 | -111.5 | 58.4 | 0 | 0 | 0 | 114 | ||||
| 195 | G | 32.3 | Very low | 39.9 | Very low | 71 Ų | 71 | 143.4 Ų | 143.4 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | cis | -133.3 | -155.5 | 3.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 196 | K | 35.5 | Very low | 38.5 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | -153 | 159.2 | -155.9 | -162.2 | -170.1 | 172.8 | -75.7 | 0 | 112.8 | ||||
| 197 | D | 34.3 | Very low | 37.8 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 64% | 0.642 | 75% | 0.751 | S | S | * | * | trans | 81.5 | 153.8 | 157.7 | -66.5 | -36.3 | 0 | 0 | 0 | 123.1 | ||||
| 198 | S | 33.2 | Very low | 37.8 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | trans | 76.5 | 80 | 153.8 | -60.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 199 | D | 33.9 | Very low | 38.1 | Very low | 155 Ų | 155 | 132.3 Ų | 132.3 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | 32.2 | 143.2 | 102.2 | -160.3 | 30.3 | 0 | 0 | 0 | 123.1 | |||||
| 200 | R | 38.9 | Very low | 38.7 | Very low | 190 Ų | 190 | 128.7 Ų | 128.7 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | trans | 66 | 117.7 | 151.3 | -166.5 | 171.9 | -173.4 | -176.7 | 2.6 | 124.1 | E202 | R200-E202 IonicContact CZ-OE1 3.18Å; R200-E202 IonicContact NE-OE1 2.69Å; R200-E202 PolarHBondContact NE-OE1 2.95Å; R200-E202 IonicContact NH2-OE1 2.83Å; R200-E202 PolarHBondContact NH2-OE1 2.91Å | ||
| 201 | S | 34.7 | Very low | 39 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | 164.9 | 104.9 | 120.4 | -171.4 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 202 | E | 36.2 | Very low | 39.1 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | 50.5 | 115.5 | 93.1 | -72.4 | -169.1 | -109.6 | 0 | 0 | 116.7 | R200 | R200-E202 IonicContact CZ-OE1 3.18Å; R200-E202 IonicContact NE-OE1 2.69Å; R200-E202 PolarHBondContact NE-OE1 2.95Å; R200-E202 IonicContact NH2-OE1 2.83Å; R200-E202 PolarHBondContact NH2-OE1 2.91Å | |||
| 203 | M | 40.5 | Very low | 39.9 | Very low | 173 Ų | 173 | 131.7 Ų | 131.7 | 85% | 0.852 | 76% | 0.763 | S | S | * | * | trans | -163.2 | 115.7 | 130.1 | -165.5 | 161.6 | -178.5 | 0 | 0 | 113.2 | ||||
| 204 | L | 37.6 | Very low | 40.5 | Very low | 145 Ų | 145 | 132 Ų | 132 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | 25.8 | 137.7 | 147.8 | -51.7 | 176.2 | 0 | 0 | 0 | 120.6 | ||||
| 205 | C | 37.2 | Very low | 40.5 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 75% | 0.75 | 75% | 0.753 | S | S | * | * | cis | -148.2 | -154.2 | 14.4 | -133.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 206 | S | 34.1 | Very low | 40.9 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | cis | -152.7 | -174.6 | 16.8 | -154.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 207 | S | 43.8 | Very low | 41.6 | Very low | 105 Ų | 105 | 130 Ų | 130 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | -110.2 | 166.9 | -164.3 | 26 | 0 | 0 | 0 | 0 | 117 | ||||
| 208 | P | 57.4 | Low | 41.6 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | -114.7 | -144.7 | -166.7 | 45.7 | -32.5 | 0 | 0 | 0 | 111.3 | ||||
| 209 | P | 52.8 | Low | 41.9 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | cis | -138.9 | -176.1 | -13.5 | 41 | -21.8 | 0 | 0 | 0 | 116.8 | ||||
| 210 | N | 49.6 | Very low | 42.9 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -78.5 | 168.5 | 155.7 | -73.1 | -32.1 | 0 | 0 | 0 | 111.8 | ||||
| 211 | P | 55.6 | Low | 42.7 | Very low | 116 Ų | 116 | 129 Ų | 129 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | -151.4 | 149.2 | 116.9 | 34.8 | -16.6 | 0 | 0 | 0 | 118.8 | |||||
| 212 | S | 34.4 | Very low | 42.8 | Very low | 105 Ų | 105 | 127 Ų | 127 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | 54.3 | 113.4 | 143.6 | -52.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 213 | I | 47.8 | Very low | 42.6 | Very low | 156 Ų | 156 | 124.4 Ų | 124.4 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | 55.5 | 116.8 | 71.6 | -59.6 | 177.8 | 0 | 0 | 0 | 112 | |||||
| 214 | P | 46.9 | Very low | 42.8 | Very low | 108 Ų | 108 | 126 Ų | 126 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | -154.8 | 145.5 | 79.9 | 38.1 | -16.5 | 0 | 0 | 0 | 121.5 | |||||
| 215 | I | 34.5 | Very low | 42.7 | Very low | 147 Ų | 147 | 127 Ų | 127 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | 73.2 | 107.2 | 129.9 | -61.9 | 172.5 | 0 | 0 | 0 | 121.7 | |||||
| 216 | T | 39.3 | Very low | 42.8 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | 26.1 | 145.3 | 137.2 | 68.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 217 | P | 50.4 | Low | 43 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | cis | -123.1 | -153.3 | 38.5 | 22.9 | 3.3 | 0 | 0 | 0 | 113.1 | ||||
| 218 | S | 34.5 | Very low | 42.7 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | cis | -156.9 | -168.3 | 23.6 | -59.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 219 | K | 39.7 | Very low | 42.5 | Very low | 199 Ų | 199 | 129.4 Ų | 129.4 | 87% | 0.865 | 76% | 0.756 | S | S | * | * | trans | -143.3 | 173.7 | 175.3 | -69.7 | -173.7 | -179.6 | -177.6 | 0 | 109.4 | ||||
| 220 | P | 56.1 | Low | 42 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | cis | -130.6 | -142.7 | -48.9 | 39.4 | -21.2 | 0 | 0 | 0 | 110.2 | ||||
| 221 | V | 33.3 | Very low | 41.3 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 83% | 0.83 | 76% | 0.762 | S | S | * | * | trans | 76.9 | 130.5 | 176.9 | -169.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 222 | G | 36.5 | Very low | 40.9 | Very low | 62 Ų | 62 | 129.8 Ų | 129.8 | 64% | 0.639 | 76% | 0.763 | S | S | * | * | cis | 117.8 | 82.8 | -7.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 223 | S | 33.6 | Very low | 41.1 | Very low | 92 Ų | 92 | 136.3 Ų | 136.3 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | trans | -158.3 | 113.7 | 160.2 | -162.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 224 | Y | 43.3 | Very low | 41.1 | Very low | 207 Ų | 207 | 140.6 Ų | 140.6 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | trans | -66.1 | 142 | 151.5 | 1.4 | -102.7 | 0 | 0 | 0 | 108.8 | ||||
| 225 | M | 36.2 | Very low | 40.6 | Very low | 165 Ų | 165 | 139 Ų | 139 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -139.3 | 106.9 | 169.6 | -88.7 | -68.1 | 103.3 | 0 | 0 | 112.8 | ||||
| 226 | T | 39.3 | Very low | 41.2 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 72% | 0.724 | 79% | 0.785 | S | S | * | * | trans | -77.2 | 142.1 | 164.5 | -44.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 227 | P | 39 | Very low | 41.1 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | -80.9 | 123.9 | 170.4 | 31.5 | -32.4 | 0 | 0 | 0 | 111.6 | ||||
| 228 | L | 36.2 | Very low | 41.3 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | -142.1 | 171.4 | 163.2 | -125.7 | 77.1 | 0 | 0 | 0 | 107.8 | ||||
| 229 | P | 53.3 | Low | 42.1 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 66% | 0.662 | 79% | 0.789 | S | S | * | * | -124.7 | 179.7 | -120.8 | 32.6 | -11.6 | 0 | 0 | 0 | 114.8 | |||||
| 230 | S | 43.1 | Very low | 43 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | 55.9 | 112.5 | 155 | 52.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 231 | S | 34 | Very low | 42.9 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 88% | 0.881 | 79% | 0.787 | S | S | * | * | trans | -138.2 | 144.1 | 143.7 | -163.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 232 | I | 47 | Very low | 44.3 | Very low | 150 Ų | 150 | 134 Ų | 134 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -85 | 133.1 | -170.3 | -68.3 | 157.1 | 0 | 0 | 0 | 110.2 | ||||
| 233 | R | 39.9 | Very low | 46.1 | Very low | 243 Ų | 243 | 136.3 Ų | 136.3 | 92% | 0.917 | 78% | 0.779 | S | S | * | * | trans | -128.3 | 131.6 | 152.2 | -72.4 | -164.9 | -176.4 | -88.4 | 0.3 | 110.7 | ||||
| 234 | R | 46.2 | Very low | 48.3 | Very low | 245 Ų | 245 | 136.4 Ų | 136.4 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | trans | -71.2 | 136.6 | 162.6 | -72.9 | 171.9 | -83.7 | -130.9 | -4.4 | 108.3 | ||||
| 235 | G | 36.8 | Very low | 50 | Low | 74 Ų | 74 | 130.7 Ų | 130.7 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | trans | -168.6 | 133.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 236 | D | 46.8 | Very low | 52.1 | Low | 161 Ų | 161 | 127.2 Ų | 127.2 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | trans | -71.2 | 152.1 | 179.3 | -170.6 | 12 | 0 | 0 | 0 | 111.1 | ||||
| 237 | G | 37.8 | Very low | 54.3 | Low | 61 Ų | 61 | 123.4 Ų | 123.4 | 63% | 0.629 | 74% | 0.735 | S | S | * | * | trans | 175 | 61.8 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | T239 | G237-T239 PolarHBondContact O-N 2.85Š| ||
| 238 | L | 54.2 | Low | 56.8 | Low | 171 Ų | 171 | 123.3 Ų | 123.3 | 90% | 0.895 | 72% | 0.72 | S | S | * | * | trans | -70.2 | 67.2 | 170.6 | -72.2 | 174.7 | 0 | 0 | 0 | 113 | ||||
| 239 | T | 52 | Low | 59.3 | Low | 133 Ų | 133 | 120.2 Ų | 120.2 | 82% | 0.816 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -153.5 | 87.7 | 168.5 | 10.9 | 0 | 0 | 0 | 0 | 113.9 | G237 T241 | G237-T239 PolarHBondContact O-N 2.85Å; T239-T241 PolarHBondContact O-N 3.02Å |
| 240 | G | 59.1 | Low | 61.2 | Low | 77 Ų | 77 | 118.2 Ų | 118.2 | 79% | 0.794 | 69% | 0.692 | S | S | * | * | trans | 58.7 | 45.4 | 135.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | P242 | G240-P242 WeakPolarHBondContact O-CD 3.43Š| ||
| 241 | T | 53.5 | Low | 63.5 | Low | 125 Ų | 125 | 115.1 Ų | 115.1 | 77% | 0.767 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 124.1 | 156.7 | 52.2 | 0 | 0 | 0 | 0 | 109.1 | T239 L243 | T239-T241 PolarHBondContact O-N 3.02Å; T241-L243 PolarHBondContact O-N 3.38Å; T241-L243 VanDerWaalsContact O-N 3.13Å |
| 242 | P | 63.4 | Low | 66.3 | Low | 112 Ų | 112 | 115.1 Ų | 115.1 | 73% | 0.727 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 117.4 | -178.4 | 25.9 | -33.3 | 0 | 0 | 0 | 110.2 | G240 T244 | G240-P242 WeakPolarHBondContact O-CD 3.43Å; P242-T244 PolarHBondContact O-N 2.8Å |
| 243 | L | 72.9 | Confident | 68.5 | Low | 111 Ų | 111 | 113.1 Ų | 113.1 | 58% | 0.581 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 136.5 | 176.1 | -70.5 | 174.4 | 0 | 0 | 0 | 110.5 | T241 R248 | T241-L243 PolarHBondContact O-N 3.38Å; T241-L243 VanDerWaalsContact O-N 3.13Å; L243-R248 HydrophobicContact CB-CG 3.61Å; L243-R248 HydrophobicContact CD1-CG 4.36Å; L243-R248 PolarHBondContact O-NE 3.3Å; L243-R248 PolarHBondContact O-NH2 3.42Å |
| 244 | T | 79.9 | Confident | 71.1 | Confident | 93 Ų | 93 | 106.1 Ų | 106.1 | 57% | 0.571 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 148.8 | 178.7 | 67.5 | 0 | 0 | 0 | 0 | 110.1 | P242 S246 A247 R248 | P242-T244 PolarHBondContact O-N 2.8Å; T244-S246 PolarHBondContact O-N 3.12Å; T244-A247 PolarHBondContact O-N 2.99Å; T244-A247 WeakPolarHBondContact OG1-CB 3.37Å; T244-A247 PolarHBondContact OG1-N 3.08Å; T244-R248 PolarHBondContact O-N 3.1Å |
| 245 | T | 78.7 | Confident | 73.4 | Confident | 87 Ų | 87 | 98.2 Ų | 98.2 | 53% | 0.534 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -59.3 | -33.5 | -177.4 | -57.4 | 0 | 0 | 0 | 0 | 112 | R248 I249 | T245-R248 PolarHBondContact OG1-NH2 3.27Å; T245-I249 HydrophobicContact CG2-CD1 3.99Å; T245-I249 WeakPolarHBondContact O-CD1 3.49Å; T245-I249 VanDerWaalsContact O-CG1 3.27Å; T245-I249 WeakPolarHBondContact O-CG1 3.34Å; T245-I249 PolarHBondContact O-N 3.4Å; T245-I249 VanDerWaalsContact O-N 3.07Å |
| 246 | S | 81.4 | Confident | 76.2 | Confident | 92 Ų | 92 | 96 Ų | 96 | 64% | 0.643 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.8 | -49.6 | 170.1 | 177.2 | 0 | 0 | 0 | 0 | 112.7 | T244 R248 I249 S250 | T244-S246 PolarHBondContact O-N 3.12Å; S246-R248 VanDerWaalsContact C-N 3.31Å; S246-R248 PolarHBondContact O-N 2.91Å; S246-I249 PolarHBondContact O-N 3.45Å; S246-S250 WeakPolarHBondContact O-CB 3.34Å; S246-S250 PolarHBondContact O-N 3.08Å |
| 247 | A | 86.3 | Confident | 78.5 | Confident | 39 Ų | 39 | 92.6 Ų | 92.6 | 32% | 0.322 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.5 | -37.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T244 S250 A251 | T244-A247 PolarHBondContact O-N 2.99Å; T244-A247 WeakPolarHBondContact OG1-CB 3.37Å; T244-A247 PolarHBondContact OG1-N 3.08Å; A247-S250 PolarHBondContact O-N 3.32Å; A247-A251 WeakPolarHBondContact O-CB 3.47Å; A247-A251 PolarHBondContact O-N 3.44Å |
| 248 | R | 89.8 | Confident | 81.3 | Confident | 115 Ų | 115 | 94.5 Ų | 94.5 | 43% | 0.434 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.1 | -44.5 | 175.3 | -69.4 | -176.7 | -72.7 | -159.2 | -2 | 112.4 | L243 T244 T245 S246 A251 L252 | L243-R248 HydrophobicContact CB-CG 3.61Å; L243-R248 HydrophobicContact CD1-CG 4.36Å; L243-R248 PolarHBondContact O-NE 3.3Å; L243-R248 PolarHBondContact O-NH2 3.42Å; T244-R248 PolarHBondContact O-N 3.1Å; T245-R248 PolarHBondContact OG1-NH2 3.27Å; S246-R248 VanDerWaalsContact C-N 3.31Å; S246-R248 PolarHBondContact O-N 2.91Å; R248-A251 PolarHBondContact O-N 3Å; R248-L252 WeakPolarHBondContact O-CB 3.28Å; R248-L252 VanDerWaalsContact O-CG 3.31Å; R248-L252 WeakPolarHBondContact O-CG 3.47Å; R248-L252 PolarHBondContact O-N 3.21Å |
| 249 | I | 88.8 | Confident | 83.3 | Confident | 94 Ų | 94 | 92 Ų | 92 | 48% | 0.482 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.4 | -41.7 | 177 | -67.9 | 165.4 | 0 | 0 | 0 | 110.7 | T245 S246 L252 N253 | T245-I249 HydrophobicContact CG2-CD1 3.99Å; T245-I249 WeakPolarHBondContact O-CD1 3.49Å; T245-I249 VanDerWaalsContact O-CG1 3.27Å; T245-I249 WeakPolarHBondContact O-CG1 3.34Å; T245-I249 PolarHBondContact O-N 3.4Å; T245-I249 VanDerWaalsContact O-N 3.07Å; S246-I249 PolarHBondContact O-N 3.45Å; I249-L252 PolarHBondContact O-N 3.13Å; I249-N253 WeakPolarHBondContact O-CB 3.3Å; I249-N253 PolarHBondContact O-N 2.69Å |
| 250 | S | 93.1 | Very high | 85.3 | Confident | 61 Ų | 61 | 93 Ų | 93 | 43% | 0.427 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.7 | -49.5 | 175.3 | 178.8 | 0 | 0 | 0 | 0 | 111.9 | S246 A247 L252 N253 I254 | S246-S250 WeakPolarHBondContact O-CB 3.34Å; S246-S250 PolarHBondContact O-N 3.08Å; A247-S250 PolarHBondContact O-N 3.32Å; S250-L252 PolarHBondContact O-N 3.11Å; S250-N253 PolarHBondContact O-N 2.89Å; S250-I254 WeakPolarHBondContact O-CG1 3.41Å; S250-I254 PolarHBondContact O-N 3.27Å |
| 251 | A | 91.2 | Very high | 87 | Confident | 48 Ų | 48 | 94.7 Ų | 94.7 | 40% | 0.397 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A247 R248 N253 I254 V255 | A247-A251 WeakPolarHBondContact O-CB 3.47Å; A247-A251 PolarHBondContact O-N 3.44Å; R248-A251 PolarHBondContact O-N 3Å; A251-N253 PolarHBondContact O-N 3.41Å; A251-I254 PolarHBondContact O-N 3.37Å; A251-V255 WeakPolarHBondContact O-CG2 3.21Å; A251-V255 PolarHBondContact O-N 2.95Å |
| 252 | L | 94.5 | Very high | 89 | Confident | 125 Ų | 125 | 92 Ų | 92 | 65% | 0.654 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64 | -38.7 | 176.7 | -73.4 | 170.5 | 0 | 0 | 0 | 112.5 | R248 I249 S250 G256 | R248-L252 WeakPolarHBondContact O-CB 3.28Å; R248-L252 VanDerWaalsContact O-CG 3.31Å; R248-L252 WeakPolarHBondContact O-CG 3.47Å; R248-L252 PolarHBondContact O-N 3.21Å; I249-L252 PolarHBondContact O-N 3.13Å; S250-L252 PolarHBondContact O-N 3.11Å; L252-G256 PolarHBondContact O-N 2.91Å |
| 253 | N | 92.3 | Very high | 90.5 | Very high | 109 Ų | 109 | 88.1 Ų | 88.1 | 58% | 0.583 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65 | -42.8 | 175 | -76 | -13.4 | 0 | 0 | 0 | 111.9 | I249 S250 A251 G256 E257 | I249-N253 WeakPolarHBondContact O-CB 3.3Å; I249-N253 PolarHBondContact O-N 2.69Å; S250-N253 PolarHBondContact O-N 2.89Å; A251-N253 PolarHBondContact O-N 3.41Å; N253-G256 PolarHBondContact O-N 2.92Å; N253-E257 PolarHBondContact O-N 3.36Å |
| 254 | I | 94.5 | Very high | 91.4 | Very high | 95 Ų | 95 | 87.7 Ų | 87.7 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 177.3 | -67.3 | 163 | 0 | 0 | 0 | 110.7 | S250 A251 G256 E257 L258 | S250-I254 WeakPolarHBondContact O-CG1 3.41Å; S250-I254 PolarHBondContact O-N 3.27Å; A251-I254 PolarHBondContact O-N 3.37Å; I254-G256 PolarHBondContact O-N 3.43Å; I254-E257 PolarHBondContact O-N 2.93Å; I254-L258 HydrophobicContact CG2-CD1 4.01Å; I254-L258 WeakPolarHBondContact O-CG 3.45Å; I254-L258 PolarHBondContact O-N 2.88Å |
| 255 | V | 94.8 | Very high | 92.1 | Very high | 79 Ų | 79 | 88.8 Ų | 88.8 | 48% | 0.479 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 175.7 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | A251 E257 L258 L259 | A251-V255 WeakPolarHBondContact O-CG2 3.21Å; A251-V255 PolarHBondContact O-N 2.95Å; V255-E257 VanDerWaalsContact C-N 3.32Å; V255-E257 PolarHBondContact O-N 2.85Å; V255-L258 PolarHBondContact O-N 3.29Å; V255-L259 HydrophobicContact CG1-CD1 3.93Å; V255-L259 HydrophobicContact CG1-CG 4.45Å; V255-L259 WeakPolarHBondContact O-CG 3.35Å; V255-L259 PolarHBondContact O-N 3.49Å |
| 256 | G | 94.7 | Very high | 92.7 | Very high | 27 Ų | 27 | 90.7 Ų | 90.7 | 28% | 0.278 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.5 | -31 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L252 N253 I254 R260 | L252-G256 PolarHBondContact O-N 2.91Å; N253-G256 PolarHBondContact O-N 2.92Å; I254-G256 PolarHBondContact O-N 3.43Å; G256-R260 WeakPolarHBondContact O-CB 3.46Å; G256-R260 PolarHBondContact O-N 3.36Å |
| 257 | E | 95.3 | Very high | 93.1 | Very high | 90 Ų | 90 | 90.2 Ų | 90.2 | 42% | 0.421 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -75.1 | -41.1 | 172.4 | -162.5 | -168.7 | 134.4 | 0 | 0 | 112.2 | N253 I254 V255 R260 K261 | N253-E257 PolarHBondContact O-N 3.36Å; I254-E257 PolarHBondContact O-N 2.93Å; V255-E257 VanDerWaalsContact C-N 3.32Å; V255-E257 PolarHBondContact O-N 2.85Å; E257-R260 PolarHBondContact O-N 3.03Å; E257-K261 HydrophobicContact CG-CD 4.43Å; E257-K261 WeakPolarHBondContact O-CG 3.11Å; E257-K261 PolarHBondContact O-N 2.98Å; E257-K261 WeakPolarHBondContact OE1-CE 3.39Å; E257-K261 IonicContact OE1-NZ 3.66Å; E257-K261 PolarHBondContact OE1-NZ 3.36Å |
| 258 | L | 96.1 | Very high | 93.4 | Very high | 102 Ų | 102 | 95.5 Ų | 95.5 | 53% | 0.534 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.1 | -48.9 | 174.4 | -77.1 | 164.6 | 0 | 0 | 0 | 111.3 | I254 V255 R260 K261 V262 | I254-L258 HydrophobicContact CG2-CD1 4.01Å; I254-L258 WeakPolarHBondContact O-CG 3.45Å; I254-L258 PolarHBondContact O-N 2.88Å; V255-L258 PolarHBondContact O-N 3.29Å; L258-R260 VanDerWaalsContact C-N 3.3Å; L258-R260 PolarHBondContact O-N 3.48Å; L258-K261 PolarHBondContact O-N 2.79Å; L258-K261 VanDerWaalsContact O-N 3.11Å; L258-V262 WeakPolarHBondContact O-CG2 3.17Å; L258-V262 PolarHBondContact O-N 2.93Å |
| 259 | L | 96.1 | Very high | 93.4 | Very high | 119 Ų | 119 | 96 Ų | 96 | 62% | 0.623 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.6 | -38.1 | 176.8 | -70.7 | 166.9 | 0 | 0 | 0 | 112.2 | V255 V262 G263 | V255-L259 HydrophobicContact CG1-CD1 3.93Å; V255-L259 HydrophobicContact CG1-CG 4.45Å; V255-L259 WeakPolarHBondContact O-CG 3.35Å; V255-L259 PolarHBondContact O-N 3.49Å; L259-V262 PolarHBondContact O-N 3Å; L259-G263 PolarHBondContact O-N 3.21Å |
| 260 | R | 94.8 | Very high | 93.3 | Very high | 152 Ų | 152 | 93.5 Ų | 93.5 | 57% | 0.574 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.5 | -37.5 | 174.5 | -164.6 | -175.9 | -54.3 | 107.9 | 7.8 | 112.3 | G256 E257 L258 N264 | G256-R260 WeakPolarHBondContact O-CB 3.46Å; G256-R260 PolarHBondContact O-N 3.36Å; E257-R260 PolarHBondContact O-N 3.03Å; L258-R260 VanDerWaalsContact C-N 3.3Å; L258-R260 PolarHBondContact O-N 3.48Å; R260-N264 WeakPolarHBondContact O-CB 3.38Å; R260-N264 PolarHBondContact O-N 3.45Å; R260-N264 PolarHBondContact O-OD1 3.06Å |
| 261 | K | 95.1 | Very high | 93 | Very high | 114 Ų | 114 | 94.3 Ų | 94.3 | 50% | 0.496 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.2 | -39.3 | 174.8 | -77.5 | 172.7 | 167.7 | 171 | 0 | 111.8 | E257 L258 N264 L265 | E257-K261 HydrophobicContact CG-CD 4.43Å; E257-K261 WeakPolarHBondContact O-CG 3.11Å; E257-K261 PolarHBondContact O-N 2.98Å; E257-K261 WeakPolarHBondContact OE1-CE 3.39Å; E257-K261 IonicContact OE1-NZ 3.66Å; E257-K261 PolarHBondContact OE1-NZ 3.36Å; L258-K261 PolarHBondContact O-N 2.79Å; L258-K261 VanDerWaalsContact O-N 3.11Å; K261-N264 PolarHBondContact O-N 3.05Å; K261-L265 VanDerWaalsContact O-CG 3.31Å; K261-L265 WeakPolarHBondContact O-CG 3.4Å; K261-L265 PolarHBondContact O-N 3.41Å |
| 262 | V | 95.6 | Very high | 92.5 | Very high | 69 Ų | 69 | 95.9 Ų | 95.9 | 42% | 0.418 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.4 | -52 | 173.1 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | L258 L259 N264 L265 E266 | L258-V262 WeakPolarHBondContact O-CG2 3.17Å; L258-V262 PolarHBondContact O-N 2.93Å; L259-V262 PolarHBondContact O-N 3Å; V262-N264 VanDerWaalsContact C-N 3.29Å; V262-N264 PolarHBondContact O-N 2.75Å; V262-L265 CarbonylContact O-C 3.58Å; V262-L265 WeakPolarHBondContact O-CA 3.43Å; V262-L265 WeakPolarHBondContact O-CB 3.27Å; V262-L265 PolarHBondContact O-N 3.09Å; V262-E266 HydrophobicContact CG1-CG 4.23Å; V262-E266 WeakPolarHBondContact O-CG 3.44Å; V262-E266 PolarHBondContact O-N 2.86Å |
| 263 | G | 94 | Very high | 91.9 | Very high | 30 Ų | 30 | 97 Ų | 97 | 31% | 0.309 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.3 | -36 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L259 S267 | L259-G263 PolarHBondContact O-N 3.21Å; G263-S267 VanDerWaalsContact O-CB 3.31Å; G263-S267 WeakPolarHBondContact O-CB 3.13Å; G263-S267 PolarHBondContact O-N 3.48Å |
| 264 | N | 92.5 | Very high | 91.1 | Very high | 102 Ų | 102 | 95.9 Ų | 95.9 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.1 | -33.3 | 172.6 | -75.6 | -5.3 | 0 | 0 | 0 | 113 | R260 K261 V262 K268 | R260-N264 WeakPolarHBondContact O-CB 3.38Å; R260-N264 PolarHBondContact O-N 3.45Å; R260-N264 PolarHBondContact O-OD1 3.06Å; K261-N264 PolarHBondContact O-N 3.05Å; V262-N264 VanDerWaalsContact C-N 3.29Å; V262-N264 PolarHBondContact O-N 2.75Å; N264-K268 WeakPolarHBondContact O-CG 3.43Å; N264-K268 PolarHBondContact O-N 2.96Å |
| 265 | L | 94.2 | Very high | 90.2 | Very high | 115 Ų | 115 | 98 Ų | 98 | 60% | 0.602 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -72.5 | -46.3 | 174.1 | -74.7 | 166 | 0 | 0 | 0 | 110.9 | K261 V262 S267 K268 L269 | K261-L265 VanDerWaalsContact O-CG 3.31Å; K261-L265 WeakPolarHBondContact O-CG 3.4Å; K261-L265 PolarHBondContact O-N 3.41Å; V262-L265 CarbonylContact O-C 3.58Å; V262-L265 WeakPolarHBondContact O-CA 3.43Å; V262-L265 WeakPolarHBondContact O-CB 3.27Å; V262-L265 PolarHBondContact O-N 3.09Å; L265-S267 VanDerWaalsContact C-N 3.33Å; L265-S267 PolarHBondContact O-N 2.99Å; L265-K268 PolarHBondContact O-N 3.03Å; L265-K268 VanDerWaalsContact O-N 3.16Å; L265-L269 WeakPolarHBondContact O-CB 3.26Å; L265-L269 PolarHBondContact O-N 3.04Å |
| 266 | E | 92.1 | Very high | 89.1 | Confident | 127 Ų | 127 | 98.8 Ų | 98.8 | 59% | 0.593 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.7 | -42.8 | 176.2 | -70.3 | 174.7 | 156 | 0 | 0 | 111.8 | V262 K268 L269 A270 | V262-E266 HydrophobicContact CG1-CG 4.23Å; V262-E266 WeakPolarHBondContact O-CG 3.44Å; V262-E266 PolarHBondContact O-N 2.86Å; E266-K268 PolarHBondContact O-N 2.82Å; E266-L269 PolarHBondContact O-N 3.01Å; E266-A270 WeakPolarHBondContact O-CB 3.38Å; E266-A270 PolarHBondContact O-N 2.65Å |
| 267 | S | 90.2 | Very high | 87.8 | Confident | 83 Ų | 83 | 104.3 Ų | 104.3 | 58% | 0.58 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.1 | -41.7 | 174.6 | 175.8 | 0 | 0 | 0 | 0 | 112.6 | G263 L265 S271 | G263-S267 VanDerWaalsContact O-CB 3.31Å; G263-S267 WeakPolarHBondContact O-CB 3.13Å; G263-S267 PolarHBondContact O-N 3.48Å; L265-S267 VanDerWaalsContact C-N 3.33Å; L265-S267 PolarHBondContact O-N 2.99Å; S267-S271 WeakPolarHBondContact O-CB 3.39Å; S267-S271 PolarHBondContact O-N 2.68Å |
| 268 | K | 91.3 | Very high | 86.1 | Confident | 149 Ų | 149 | 106.1 Ų | 106.1 | 65% | 0.648 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.3 | -39.8 | 173.5 | -75.1 | -176.3 | 176 | -167.9 | 0 | 112.3 | N264 L265 E266 S271 C272 | N264-K268 WeakPolarHBondContact O-CG 3.43Å; N264-K268 PolarHBondContact O-N 2.96Å; L265-K268 PolarHBondContact O-N 3.03Å; L265-K268 VanDerWaalsContact O-N 3.16Å; E266-K268 PolarHBondContact O-N 2.82Å; K268-S271 PolarHBondContact O-N 2.68Å; K268-C272 PolarHBondContact O-N 2.95Å; K268-C272 PolarHBondContact O-SG 3.06Å; K268-C272 VanDerWaalsContact O-SG 3.35Å |
| 269 | L | 90.6 | Very high | 84.4 | Confident | 125 Ų | 125 | 105.8 Ų | 105.8 | 65% | 0.654 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.8 | -38.8 | -179.3 | -140.2 | 162.9 | 0 | 0 | 0 | 111.1 | L265 E266 R273 | L265-L269 WeakPolarHBondContact O-CB 3.26Å; L265-L269 PolarHBondContact O-N 3.04Å; E266-L269 PolarHBondContact O-N 3.01Å; L269-R273 WeakPolarHBondContact O-CB 3.38Å; L269-R273 PolarHBondContact O-N 3.41Å |
| 270 | A | 87.1 | Confident | 82.4 | Confident | 42 Ų | 42 | 104.3 Ų | 104.3 | 35% | 0.347 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.1 | -51.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E266 C272 R273 D274 | E266-A270 WeakPolarHBondContact O-CB 3.38Å; E266-A270 PolarHBondContact O-N 2.65Å; A270-C272 VanDerWaalsContact C-N 3.34Å; A270-C272 PolarHBondContact O-N 3.38Å; A270-R273 WeakPolarHBondContact O-CA 3.38Å; A270-R273 WeakPolarHBondContact O-CB 3.45Å; A270-R273 PolarHBondContact O-N 3.36Å; A270-D274 VanDerWaalsContact O-CG 3.25Å; A270-D274 PolarHBondContact O-N 3.13Å |
| 271 | S | 87.3 | Confident | 80.3 | Confident | 78 Ų | 78 | 101.7 Ų | 101.7 | 55% | 0.545 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -58.6 | -40.6 | 178.1 | 177.8 | 0 | 0 | 0 | 0 | 113.2 | S267 K268 D274 F275 | S267-S271 WeakPolarHBondContact O-CB 3.39Å; S267-S271 PolarHBondContact O-N 2.68Å; K268-S271 PolarHBondContact O-N 2.68Å; S271-D274 PolarHBondContact O-N 3.19Å; S271-F275 WeakPolarHBondContact O-CB 3.41Å; S271-F275 PolarHBondContact O-N 2.92Å |
| 272 | C | 78.8 | Confident | 78 | Confident | 81 Ų | 81 | 101.8 Ų | 101.8 | 55% | 0.547 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.2 | -38.4 | 173.2 | -70.8 | 0 | 0 | 0 | 0 | 112.4 | K268 A270 V276 | K268-C272 PolarHBondContact O-N 2.95Å; K268-C272 PolarHBondContact O-SG 3.06Å; K268-C272 VanDerWaalsContact O-SG 3.35Å; A270-C272 VanDerWaalsContact C-N 3.34Å; A270-C272 PolarHBondContact O-N 3.38Å; C272-V276 WeakPolarHBondContact O-CG2 3.16Å; C272-V276 PolarHBondContact O-N 3.34Å; C272-V276 VanDerWaalsContact O-N 3.1Å |
| 273 | R | 82.9 | Confident | 75.3 | Confident | 150 Ų | 150 | 109.8 Ų | 109.8 | 57% | 0.566 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.6 | -42.2 | 177.4 | -163.8 | -171.4 | 70.2 | 163.9 | 2.3 | 111.5 | L269 A270 V276 Y277 | L269-R273 WeakPolarHBondContact O-CB 3.38Å; L269-R273 PolarHBondContact O-N 3.41Å; A270-R273 WeakPolarHBondContact O-CA 3.38Å; A270-R273 WeakPolarHBondContact O-CB 3.45Å; A270-R273 PolarHBondContact O-N 3.36Å; R273-V276 PolarHBondContact O-N 2.86Å; R273-Y277 HydrophobicContact CG-CD2 4.01Å; R273-Y277 HydrophobicContact CG-CE2 3.83Å; R273-Y277 VanDerWaalsContact O-CD2 3.28Å; R273-Y277 WeakPolarHBondContact O-CD2 3.35Å; R273-Y277 PolarHBondContact O-N 3.01Å |
| 274 | D | 76.3 | Confident | 72.8 | Confident | 85 Ų | 85 | 113.7 Ų | 113.7 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.6 | -38.2 | 179.7 | -61.6 | -17.7 | 0 | 0 | 0 | 110.8 | A270 S271 V276 Y277 E278 | A270-D274 VanDerWaalsContact O-CG 3.25Å; A270-D274 PolarHBondContact O-N 3.13Å; S271-D274 PolarHBondContact O-N 3.19Å; D274-V276 PolarHBondContact O-N 2.86Å; D274-Y277 PolarHBondContact O-N 3.49Å; D274-E278 WeakPolarHBondContact O-CB 3.46Å; D274-E278 PolarHBondContact O-N 3.43Å |
| 275 | F | 74.8 | Confident | 70.4 | Confident | 139 Ų | 139 | 113.6 Ų | 113.6 | 61% | 0.61 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -59.6 | -42.9 | 170.6 | 178.9 | -99 | 0 | 0 | 0 | 112.8 | S271 E278 T279 | S271-F275 WeakPolarHBondContact O-CB 3.41Å; S271-F275 PolarHBondContact O-N 2.92Å; F275-E278 PolarHBondContact O-N 2.95Å; F275-T279 VanDerWaalsContact O-CB 3.32Å; F275-T279 WeakPolarHBondContact O-CB 3.38Å; F275-T279 PolarHBondContact O-N 3.32Å; F275-T279 PolarHBondContact O-OG1 2.92Å |
| 276 | V | 72.6 | Confident | 67.8 | Low | 95 Ų | 95 | 116 Ų | 116 | 58% | 0.576 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.8 | -41.7 | 175.1 | 168.2 | 0 | 0 | 0 | 0 | 111.2 | C272 R273 D274 S280 | C272-V276 WeakPolarHBondContact O-CG2 3.16Å; C272-V276 PolarHBondContact O-N 3.34Å; C272-V276 VanDerWaalsContact O-N 3.1Å; R273-V276 PolarHBondContact O-N 2.86Å; D274-V276 PolarHBondContact O-N 2.86Å; V276-S280 WeakPolarHBondContact O-CB 3.19Å; V276-S280 PolarHBondContact O-N 2.8Å |
| 277 | Y | 66.3 | Low | 66 | Low | 144 Ų | 144 | 115.9 Ų | 115.9 | 57% | 0.565 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -66.4 | -44.6 | 175.9 | -84.2 | -63.5 | 0 | 0 | 0 | 112.9 | R273 D274 T279 S280 S281 | R273-Y277 HydrophobicContact CG-CD2 4.01Å; R273-Y277 HydrophobicContact CG-CE2 3.83Å; R273-Y277 VanDerWaalsContact O-CD2 3.28Å; R273-Y277 WeakPolarHBondContact O-CD2 3.35Å; R273-Y277 PolarHBondContact O-N 3.01Å; D274-Y277 PolarHBondContact O-N 3.49Å; Y277-T279 PolarHBondContact O-N 3.19Å; Y277-S280 WeakPolarHBondContact CA-OG 3.32Å; Y277-S280 PolarHBondContact O-N 2.99Å; Y277-S280 VanDerWaalsContact O-N 3.09Å; Y277-S280 PolarHBondContact O-OG 2.83Å; Y277-S281 WeakPolarHBondContact O-CB 3.41Å; Y277-S281 PolarHBondContact O-N 3.13Å |
| 278 | E | 58.9 | Low | 63.2 | Low | 127 Ų | 127 | 116.7 Ų | 116.7 | 59% | 0.593 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -63.1 | -42.6 | 179 | -168 | 170.7 | -136.2 | 0 | 0 | 111.5 | D274 F275 S280 S281 N282 | D274-E278 WeakPolarHBondContact O-CB 3.46Å; D274-E278 PolarHBondContact O-N 3.43Å; F275-E278 PolarHBondContact O-N 2.95Å; E278-S280 VanDerWaalsContact C-N 3.26Å; E278-S280 PolarHBondContact O-N 3.26Å; E278-S281 PolarHBondContact O-N 2.9Å; E278-N282 PolarHBondContact O-N 3.25Å |
| 279 | T | 60.3 | Low | 60.5 | Low | 96 Ų | 96 | 112.9 Ų | 112.9 | 59% | 0.589 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -61.7 | -32.3 | 173.1 | -53.4 | 0 | 0 | 0 | 0 | 112.3 | F275 Y277 | F275-T279 VanDerWaalsContact O-CB 3.32Å; F275-T279 WeakPolarHBondContact O-CB 3.38Å; F275-T279 PolarHBondContact O-N 3.32Å; F275-T279 PolarHBondContact O-OG1 2.92Å; Y277-T279 PolarHBondContact O-N 3.19Å |
| 280 | S | 54.9 | Low | 58.9 | Low | 88 Ų | 88 | 113.1 Ų | 113.1 | 62% | 0.615 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -80.1 | -23.3 | 176.6 | 77.3 | 0 | 0 | 0 | 0 | 114.3 | V276 Y277 E278 | V276-S280 WeakPolarHBondContact O-CB 3.19Å; V276-S280 PolarHBondContact O-N 2.8Å; Y277-S280 WeakPolarHBondContact CA-OG 3.32Å; Y277-S280 PolarHBondContact O-N 2.99Å; Y277-S280 VanDerWaalsContact O-N 3.09Å; Y277-S280 PolarHBondContact O-OG 2.83Å; E278-S280 VanDerWaalsContact C-N 3.26Å; E278-S280 PolarHBondContact O-N 3.26Å |
| 281 | S | 51.3 | Low | 56.1 | Low | 96 Ų | 96 | 117.4 Ų | 117.4 | 67% | 0.671 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -96.3 | -31.4 | -169.4 | -167.4 | 0 | 0 | 0 | 0 | 113.8 | Y277 E278 R283 | Y277-S281 WeakPolarHBondContact O-CB 3.41Å; Y277-S281 PolarHBondContact O-N 3.13Å; E278-S281 PolarHBondContact O-N 2.9Å; S281-R283 PolarHBondContact O-N 2.85Å |
| 282 | N | 45.8 | Very low | 53.8 | Low | 116 Ų | 116 | 118.9 Ų | 118.9 | 62% | 0.62 | 69% | 0.694 | S | S | * | * | trans | -93.7 | 86.3 | -174.7 | -87.1 | -36.8 | 0 | 0 | 0 | 112.8 | E278 | E278-N282 PolarHBondContact O-N 3.25Š| ||
| 283 | R | 39.2 | Very low | 52.8 | Low | 237 Ų | 237 | 120.4 Ų | 120.4 | 89% | 0.894 | 70% | 0.703 | S | S | * | * | trans | -131.7 | 76.1 | 164.8 | -159.8 | -177.2 | -166.1 | -151.4 | 4.5 | 114.3 | S281 | S281-R283 PolarHBondContact O-N 2.85Š| ||
| 284 | P | 41.5 | Very low | 50.5 | Low | 112 Ų | 112 | 119 Ų | 119 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | trans | -61.7 | 161 | 162.1 | -18 | 32.6 | 0 | 0 | 0 | 111.9 | ||||
| 285 | A | 42.2 | Very low | 48.4 | Very low | 101 Ų | 101 | 118.4 Ų | 118.4 | 84% | 0.835 | 73% | 0.73 | S | S | * | * | trans | -86.4 | 163.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 286 | L | 39.5 | Very low | 46.7 | Very low | 165 Ų | 165 | 120.1 Ų | 120.1 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | trans | -40.3 | 161 | 167.5 | -70 | 171.8 | 0 | 0 | 0 | 114.8 | ||||
| 287 | P | 54.9 | Low | 45.1 | Very low | 125 Ų | 125 | 123.3 Ų | 123.3 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | cis | -146 | 170.3 | 33.7 | 42.2 | -23.2 | 0 | 0 | 0 | 119 | ||||
| 288 | A | 32 | Very low | 43.6 | Very low | 99 Ų | 99 | 121 Ų | 121 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -147.4 | 144.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 289 | G | 33.4 | Very low | 42.4 | Very low | 70 Ų | 70 | 118.2 Ų | 118.2 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | -87.6 | 178.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 290 | P | 56.7 | Low | 41.9 | Very low | 129 Ų | 129 | 120 Ų | 120 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -93.9 | 142.3 | -159.3 | 34.6 | -35.4 | 0 | 0 | 0 | 115.3 | ||||
| 291 | C | 29.7 | Very low | 40.9 | Very low | 132 Ų | 132 | 125 Ų | 125 | 89% | 0.892 | 80% | 0.801 | S | S | * | * | trans | -160.7 | 145.4 | 130.5 | -113.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 292 | S | 37.9 | Very low | 40.3 | Very low | 110 Ų | 110 | 127 Ų | 127 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -107.2 | -172.3 | 175.2 | -47.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 293 | P | 58.6 | Low | 39.8 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | cis | -139.7 | 176.7 | -1.7 | 40 | -21.6 | 0 | 0 | 0 | 116.8 | ||||
| 294 | S | 34.2 | Very low | 39.6 | Very low | 122 Ų | 122 | 124.1 Ų | 124.1 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | 122.4 | 131.3 | 141.8 | -52.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 295 | G | 31.5 | Very low | 39.4 | Very low | 72 Ų | 72 | 124 Ų | 124 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | trans | 151.1 | 49.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 296 | L | 39.6 | Very low | 39.3 | Very low | 174 Ų | 174 | 124.5 Ų | 124.5 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | trans | 49.5 | 136.1 | 151.8 | -64.6 | 170.8 | 0 | 0 | 0 | 122.5 | ||||
| 297 | D | 39.1 | Very low | 39.2 | Very low | 162 Ų | 162 | 125.6 Ų | 125.6 | 87% | 0.866 | 82% | 0.818 | S | S | * | * | trans | 69.6 | 118.1 | 144 | -154.8 | 23.7 | 0 | 0 | 0 | 121 | ||||
| 298 | A | 35.2 | Very low | 38.8 | Very low | 97 Ų | 97 | 124.8 Ų | 124.8 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | -166.7 | 117 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 299 | G | 32 | Very low | 39.4 | Very low | 68 Ų | 68 | 125.9 Ų | 125.9 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | trans | -77.8 | 157 | 161.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 300 | P | 50 | Low | 40 | Very low | 133 Ų | 133 | 128.1 Ų | 128.1 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -95.3 | 143.7 | -167.5 | 35.5 | -34.2 | 0 | 0 | 0 | 114.2 | ||||
| 301 | E | 34 | Very low | 39.6 | Very low | 192 Ų | 192 | 127.9 Ų | 127.9 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | trans | -120.3 | 157.1 | 160 | -142.5 | 179 | -177.8 | 0 | 0 | 111.8 | ||||
| 302 | V | 38.9 | Very low | 40.3 | Very low | 138 Ų | 138 | 130.8 Ų | 130.8 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | trans | -83.6 | 142 | -151.6 | 174.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 303 | Q | 36.7 | Very low | 40.3 | Very low | 189 Ų | 189 | 136.1 Ų | 136.1 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | -73.9 | 130.7 | 169.3 | -65.6 | 179 | -2.9 | 0 | 0 | 111.5 | ||||
| 304 | A | 34.5 | Very low | 39.8 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | trans | -105.3 | 135.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 305 | S | 36.3 | Very low | 39.9 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | -84.2 | 141.3 | -172.6 | 48.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 306 | S | 41 | Very low | 40.6 | Very low | 111 Ų | 111 | 141.5 Ų | 141.5 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | -83.6 | 137.2 | 174.2 | 178.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 307 | F | 36.8 | Very low | 40.6 | Very low | 188 Ų | 188 | 140 Ų | 140 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -145.8 | 155.2 | 161.6 | -82.8 | -67.2 | 0 | 0 | 0 | 112.7 | ||||
| 308 | S | 46.1 | Very low | 40.9 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 170.4 | -164.6 | -44.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 309 | P | 46.1 | Very low | 41.2 | Very low | 121 Ų | 121 | 146.1 Ų | 146.1 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 150.2 | -171.7 | 31.8 | -35.1 | 0 | 0 | 0 | 113.9 | ||
| 310 | P | 44.7 | Very low | 41.5 | Very low | 117 Ų | 117 | 149.8 Ų | 149.8 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 158.1 | -178.3 | 35.3 | -36.2 | 0 | 0 | 0 | 114 | ||
| 311 | P | 48.6 | Very low | 41.3 | Very low | 124 Ų | 124 | 149.9 Ų | 149.9 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 166.9 | 174.6 | 34.8 | -36.2 | 0 | 0 | 0 | 113.3 | ||
| 312 | Q | 45.4 | Very low | 41.8 | Very low | 194 Ų | 194 | 149.9 Ų | 149.9 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 145.8 | 176.9 | -62.3 | 171.4 | -68.5 | 0 | 0 | 112.4 | ||
| 313 | Y | 36.4 | Very low | 42.8 | Very low | 222 Ų | 222 | 146.3 Ų | 146.3 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | trans | -151.7 | 123.2 | 164.9 | -142.1 | -88.9 | 0 | 0 | 0 | 110.7 | ||||
| 314 | D | 48.6 | Very low | 43.9 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | -79.3 | 125.3 | 173.9 | -82.4 | -57.9 | 0 | 0 | 0 | 110.8 | ||||
| 315 | S | 37 | Very low | 44.5 | Very low | 99 Ų | 99 | 143.3 Ų | 143.3 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | trans | -158 | 108.1 | 164 | -163.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 316 | L | 46 | Very low | 45.6 | Very low | 157 Ų | 157 | 143.5 Ų | 143.5 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | 31 | 89.9 | 140.6 | -60.5 | 174.3 | 0 | 0 | 0 | 118.5 | K318 | L316-K318 PolarHBondContact O-N 3.41Š| ||
| 317 | V | 39.9 | Very low | 46.1 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | -67 | 102.3 | 164.5 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 318 | K | 44.5 | Very low | 46.7 | Very low | 197 Ų | 197 | 146.7 Ų | 146.7 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -96.2 | 98.6 | 160.6 | -84.6 | -174.7 | 175.8 | 179 | 0 | 110 | L316 L320 | L316-K318 PolarHBondContact O-N 3.41Å; K318-L320 PolarHBondContact O-N 2.81Å | ||
| 319 | R | 42.4 | Very low | 46.4 | Very low | 191 Ų | 191 | 147.8 Ų | 147.8 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | trans | -58.3 | 118.4 | 176.8 | 179 | 179 | 172.3 | -173 | -8.1 | 111.1 | E321 | R319-E321 HydrophobicContact CG-CG 4.3Å; R319-E321 IonicContact CZ-OE1 2.68Å; R319-E321 IonicContact CZ-OE2 2.65Å; R319-E321 IonicContact NE-OE1 3.49Å; R319-E321 PolarHBondContact NE-OE1 3.3Å; R319-E321 IonicContact NH2-OE1 2.68Å; R319-E321 PolarHBondContact NH2-OE1 3.49Å; R319-E321 IonicContact NH2-OE2 3.1Å; R319-E321 PolarHBondContact NH2-OE2 2.85Å | ||
| 320 | L | 38.5 | Very low | 46.8 | Very low | 145 Ų | 145 | 148.6 Ų | 148.6 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | -96 | 98.4 | 175.8 | -148.6 | 79.9 | 0 | 0 | 0 | 109.6 | K318 | K318-L320 PolarHBondContact O-N 2.81Š| ||
| 321 | E | 45.6 | Very low | 46.6 | Very low | 134 Ų | 134 | 147.9 Ų | 147.9 | 63% | 0.626 | 80% | 0.797 | S | S | * | * | trans | -82.1 | 129.8 | 173.7 | -66.6 | -78.3 | 107.8 | 0 | 0 | 110.1 | R319 | R319-E321 HydrophobicContact CG-CG 4.3Å; R319-E321 IonicContact CZ-OE1 2.68Å; R319-E321 IonicContact CZ-OE2 2.65Å; R319-E321 IonicContact NE-OE1 3.49Å; R319-E321 PolarHBondContact NE-OE1 3.3Å; R319-E321 IonicContact NH2-OE1 2.68Å; R319-E321 PolarHBondContact NH2-OE1 3.49Å; R319-E321 IonicContact NH2-OE2 3.1Å; R319-E321 PolarHBondContact NH2-OE2 2.85Å | ||
| 322 | F | 44.1 | Very low | 46.3 | Very low | 192 Ų | 192 | 151 Ų | 151 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | trans | -87.6 | 111.8 | 169.3 | -78.4 | -88 | 0 | 0 | 0 | 110.3 | ||||
| 323 | G | 59.8 | Low | 46.2 | Very low | 63 Ų | 63 | 146.8 Ų | 146.8 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 162.3 | 172 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 324 | P | 59 | Low | 46.6 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 148.3 | -179.2 | 28.8 | -35.3 | 0 | 0 | 0 | 112.5 | ||
| 325 | A | 48.8 | Very low | 46.4 | Very low | 95 Ų | 95 | 143.7 Ų | 143.7 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 145.7 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 326 | P | 57.7 | Low | 46.8 | Very low | 115 Ų | 115 | 144 Ų | 144 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 156.3 | 178.4 | 31.4 | -35.9 | 0 | 0 | 0 | 112.7 | ||
| 327 | P | 52.6 | Low | 47.1 | Very low | 117 Ų | 117 | 142.1 Ų | 142.1 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 149.4 | 178.8 | 29.7 | -35.4 | 0 | 0 | 0 | 112.4 | V329 | P327-V329 PolarHBondContact O-N 2.93Š|
| 328 | R | 48.2 | Very low | 47.3 | Very low | 249 Ų | 249 | 144.5 Ų | 144.5 | 94% | 0.94 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66 | 120.6 | 178.7 | -71.3 | 178 | 172.5 | 167.1 | -3.3 | 111.4 | ||
| 329 | V | 41.4 | Very low | 47.2 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 129.7 | 163.7 | 178.9 | 0 | 0 | 0 | 0 | 108.7 | P327 | P327-V329 PolarHBondContact O-N 2.93Š|
| 330 | V | 53.2 | Low | 47.4 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 127.1 | 170.8 | 178.3 | 0 | 0 | 0 | 0 | 108.5 | ||
| 331 | S | 40.2 | Very low | 47.8 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | -141.1 | 160.7 | 172 | 59.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 332 | H | 43.4 | Very low | 48.2 | Very low | 190 Ų | 190 | 135.8 Ų | 135.8 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 152.8 | -153.1 | -72.4 | -105.4 | 0 | 0 | 0 | 115.3 | ||
| 333 | S | 43.8 | Very low | 48.6 | Very low | 105 Ų | 105 | 134 Ų | 134 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 139.1 | 167.9 | 46.1 | 0 | 0 | 0 | 0 | 112 | ||
| 334 | P | 44.6 | Very low | 48.2 | Very low | 129 Ų | 129 | 138.4 Ų | 138.4 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 129.9 | 169.8 | 29.9 | -32.9 | 0 | 0 | 0 | 110.5 | ||
| 335 | Q | 43.8 | Very low | 47.8 | Very low | 191 Ų | 191 | 143.6 Ų | 143.6 | 89% | 0.893 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 129.4 | 179.1 | -172 | 173.5 | -3 | 0 | 0 | 110.6 | ||
| 336 | S | 45.9 | Very low | 47.7 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 73% | 0.727 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 135.9 | -178.7 | -169.4 | 0 | 0 | 0 | 0 | 112 | Q338 | S336-Q338 PolarHBondContact O-N 2.97Š|
| 337 | P | 52.2 | Low | 47.2 | Very low | 119 Ų | 119 | 147.7 Ų | 147.7 | 77% | 0.773 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 116.2 | -179.6 | 31.2 | -33.4 | 0 | 0 | 0 | 112 | ||
| 338 | Q | 43.1 | Very low | 46.9 | Very low | 193 Ų | 193 | 149.4 Ų | 149.4 | 90% | 0.902 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 121 | 167.4 | -73.3 | -175.2 | -28.5 | 0 | 0 | 110.5 | S336 G340 | S336-Q338 PolarHBondContact O-N 2.97Å; Q338-G340 PolarHBondContact O-N 3.44Å |
| 339 | G | 42.5 | Very low | 46.8 | Very low | 79 Ų | 79 | 143.5 Ų | 143.5 | 81% | 0.814 | 84% | 0.837 | S | S | * | * | trans | -73.1 | 110.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | V341 | G339-V341 PolarHBondContact O-N 2.89Š| ||
| 340 | G | 46.4 | Very low | 47.2 | Very low | 75 Ų | 75 | 144.3 Ų | 144.3 | 77% | 0.773 | 84% | 0.839 | S | S | * | * | trans | -81.9 | 109 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q338 K342 | Q338-G340 PolarHBondContact O-N 3.44Å; G340-K342 PolarHBondContact O-N 3.44Å | ||
| 341 | V | 47.1 | Very low | 46.8 | Very low | 135 Ų | 135 | 144.7 Ų | 144.7 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | trans | -71 | 115.3 | 170.9 | 179 | 0 | 0 | 0 | 0 | 109.4 | G339 I343 | G339-V341 PolarHBondContact O-N 2.89Å; V341-I343 HydrophobicContact CG1-CG1 4.41Å | ||
| 342 | K | 54.4 | Low | 47.3 | Very low | 195 Ų | 195 | 147.8 Ų | 147.8 | 85% | 0.848 | 85% | 0.849 | S | S | * | * | trans | -101 | 110.7 | 165.6 | -87.8 | -171.8 | 172.7 | -177.7 | 0 | 110 | G340 | G340-K342 PolarHBondContact O-N 3.44Š| ||
| 343 | I | 52.8 | Low | 47.5 | Very low | 154 Ų | 154 | 144.5 Ų | 144.5 | 79% | 0.79 | 85% | 0.846 | S | S | * | * | trans | -78.2 | 129.2 | 160.4 | -60.3 | 171.6 | 0 | 0 | 0 | 107.3 | V341 | V341-I343 HydrophobicContact CG1-CG1 4.41Š| ||
| 344 | L | 51.3 | Low | 47.9 | Very low | 155 Ų | 155 | 147.8 Ų | 147.8 | 81% | 0.812 | 86% | 0.856 | S | S | * | * | trans | -133 | 161.8 | 154.1 | -117.5 | 95 | 0 | 0 | 0 | 108.2 | ||||
| 345 | L | 50.3 | Low | 48.2 | Very low | 245 Ų | 245 | 149.5 Ų | 149.5 | 100% | 1.283 | 86% | 0.857 | S | S | * | * | trans | -59.2 | 0 | -171.8 | -82.3 | 61.4 | 0 | 0 | 0 | 113.6 |
Retrieved 345 of 345 residues in 439.4 ms
(Link to these results)