| 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 | 58.9 | Low | 69.6 | Low | 224 Ų | 224 | 112.2 Ų | 112.2 | 100% | 1.103 | 62% | 0.622 | S | S | * | * | 0 | -20.3 | 0 | -70.9 | -163.6 | 149.7 | 0 | 0 | 114.4 | |||||
| 2 | L | 64 | Low | 70.3 | Confident | 153 Ų | 153 | 108.9 Ų | 108.9 | 80% | 0.801 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -78.2 | -22.5 | -176.5 | -65.5 | 167.1 | 0 | 0 | 0 | 115.3 | S5 L6 | L2-S5 PolarHBondContact O-N 3.12Å; L2-L6 PolarHBondContact O-N 2.91Å |
| 3 | S | 68.3 | Low | 71.1 | Confident | 101 Ų | 101 | 113.9 Ų | 113.9 | 71% | 0.706 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.4 | -36.2 | -179.2 | 55.9 | 0 | 0 | 0 | 0 | 113.2 | F7 | S3-F7 WeakPolarHBondContact O-CB 3.49Å; S3-F7 PolarHBondContact O-N 3.46Å; S3-F7 VanDerWaalsContact O-N 3.08Å |
| 4 | G | 69.1 | Low | 72.2 | Confident | 32 Ų | 32 | 111.1 Ų | 111.1 | 33% | 0.33 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -61.4 | -50.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L6 F7 F8 | G4-L6 VanDerWaalsContact C-N 3.34Å; G4-L6 PolarHBondContact O-N 3.23Å; G4-F7 PolarHBondContact O-N 3.45Å; G4-F8 WeakPolarHBondContact O-CD2 3.44Å; G4-F8 PolarHBondContact O-N 3.43Å |
| 5 | S | 69.8 | Low | 73.2 | Confident | 68 Ų | 68 | 113.6 Ų | 113.6 | 48% | 0.476 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -60.8 | -40.4 | -178.7 | -55.5 | 0 | 0 | 0 | 0 | 113 | L2 F8 I9 | L2-S5 PolarHBondContact O-N 3.12Å; S5-F8 PolarHBondContact O-N 3.38Å; S5-I9 WeakPolarHBondContact O-CD1 3.4Å; S5-I9 WeakPolarHBondContact O-CG1 3.35Å; S5-I9 PolarHBondContact O-N 3.23Å |
| 6 | L | 67.5 | Low | 74.4 | Confident | 114 Ų | 114 | 118.2 Ų | 118.2 | 60% | 0.597 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69.4 | -40.9 | 177.7 | -169.9 | 62.8 | 0 | 0 | 0 | 111.8 | L2 G4 F8 I9 T10 | L2-L6 PolarHBondContact O-N 2.91Å; G4-L6 VanDerWaalsContact C-N 3.34Å; G4-L6 PolarHBondContact O-N 3.23Å; L6-F8 VanDerWaalsContact C-N 3.35Å; L6-F8 PolarHBondContact O-N 3.12Å; L6-I9 PolarHBondContact O-N 3.12Å; L6-T10 PolarHBondContact O-N 3.05Å; L6-T10 PolarHBondContact O-OG1 2.96Å; L6-T10 VanDerWaalsContact O-OG1 3.12Å |
| 7 | F | 68.7 | Low | 75.4 | Confident | 163 Ų | 163 | 113.6 Ų | 113.6 | 72% | 0.715 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.4 | -41.8 | 175.4 | -172.2 | -98.6 | 0 | 0 | 0 | 112 | S3 G4 G11 | S3-F7 WeakPolarHBondContact O-CB 3.49Å; S3-F7 PolarHBondContact O-N 3.46Å; S3-F7 VanDerWaalsContact O-N 3.08Å; G4-F7 PolarHBondContact O-N 3.45Å; F7-G11 PolarHBondContact O-N 3.02Å |
| 8 | F | 71.6 | Confident | 76.4 | Confident | 152 Ų | 152 | 111 Ų | 111 | 67% | 0.667 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61.8 | -43.9 | 173.2 | -87.3 | -76.8 | 0 | 0 | 0 | 111.9 | G4 S5 L6 C12 | G4-F8 WeakPolarHBondContact O-CD2 3.44Å; G4-F8 PolarHBondContact O-N 3.43Å; S5-F8 PolarHBondContact O-N 3.38Å; L6-F8 VanDerWaalsContact C-N 3.35Å; L6-F8 PolarHBondContact O-N 3.12Å; F8-C12 VanDerWaalsContact O-CB 3.27Å; F8-C12 WeakPolarHBondContact O-CB 3.44Å; F8-C12 PolarHBondContact O-N 3.22Å; F8-C12 PolarHBondContact O-SG 3.03Å |
| 9 | I | 75.5 | Confident | 77.4 | Confident | 110 Ų | 110 | 110.9 Ų | 110.9 | 56% | 0.564 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.5 | -45.8 | 179 | -69 | 164.8 | 0 | 0 | 0 | 111.4 | S5 L6 C12 Y13 | S5-I9 WeakPolarHBondContact O-CD1 3.4Å; S5-I9 WeakPolarHBondContact O-CG1 3.35Å; S5-I9 PolarHBondContact O-N 3.23Å; L6-I9 PolarHBondContact O-N 3.12Å; I9-C12 PolarHBondContact O-N 3.25Å; I9-Y13 PolarHBondContact O-N 2.98Å |
| 10 | T | 76.5 | Confident | 78.3 | Confident | 77 Ų | 77 | 109.3 Ų | 109.3 | 47% | 0.472 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.7 | -44.3 | 177.8 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | L6 C12 Y13 C14 | L6-T10 PolarHBondContact O-N 3.05Å; L6-T10 PolarHBondContact O-OG1 2.96Å; L6-T10 VanDerWaalsContact O-OG1 3.12Å; T10-C12 VanDerWaalsContact C-N 3.34Å; T10-C12 PolarHBondContact O-N 3.13Å; T10-Y13 PolarHBondContact O-N 3.24Å; T10-C14 PolarHBondContact O-N 3.23Å; T10-C14 PolarHBondContact O-SG 3.48Å; T10-C14 VanDerWaalsContact O-SG 3.37Å |
| 11 | G | 76.3 | Confident | 79.2 | Confident | 40 Ų | 40 | 109 Ų | 109 | 41% | 0.412 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -59 | -43.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F7 C14 F15 | F7-G11 PolarHBondContact O-N 3.02Å; G11-C14 PolarHBondContact O-N 3.45Å; G11-F15 PolarHBondContact O-N 3.47Å |
| 12 | C | 77 | Confident | 81 | Confident | 73 Ų | 73 | 104 Ų | 104 | 49% | 0.493 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.3 | -39.8 | 174.7 | -77.3 | 0 | 0 | 0 | 0 | 112.4 | F8 I9 T10 F15 R16 | F8-C12 VanDerWaalsContact O-CB 3.27Å; F8-C12 WeakPolarHBondContact O-CB 3.44Å; F8-C12 PolarHBondContact O-N 3.22Å; F8-C12 PolarHBondContact O-SG 3.03Å; I9-C12 PolarHBondContact O-N 3.25Å; T10-C12 VanDerWaalsContact C-N 3.34Å; T10-C12 PolarHBondContact O-N 3.13Å; C12-F15 PolarHBondContact O-N 2.88Å; C12-R16 WeakPolarHBondContact O-CB 3.42Å; C12-R16 VanDerWaalsContact O-CG 3.22Å; C12-R16 WeakPolarHBondContact O-CG 3.44Å; C12-R16 PolarHBondContact O-N 2.93Å |
| 13 | Y | 81.4 | Confident | 82.6 | Confident | 174 Ų | 174 | 98.7 Ų | 98.7 | 68% | 0.682 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.9 | -43.2 | 178.2 | -172.2 | -96.7 | 0 | 0 | 0 | 112 | I9 T10 F15 R16 A17 | I9-Y13 PolarHBondContact O-N 2.98Å; T10-Y13 PolarHBondContact O-N 3.24Å; Y13-F15 PolarHBondContact O-N 3.35Å; Y13-R16 PolarHBondContact O-N 3.42Å; Y13-A17 VanDerWaalsContact O-CB 3.31Å; Y13-A17 WeakPolarHBondContact O-CB 3.36Å; Y13-A17 PolarHBondContact O-N 2.9Å |
| 14 | C | 86.2 | Confident | 84 | Confident | 75 Ų | 75 | 98.9 Ų | 98.9 | 51% | 0.507 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 174.5 | -67.9 | 0 | 0 | 0 | 0 | 111.9 | T10 G11 A17 S18 | T10-C14 PolarHBondContact O-N 3.23Å; T10-C14 PolarHBondContact O-SG 3.48Å; T10-C14 VanDerWaalsContact O-SG 3.37Å; G11-C14 PolarHBondContact O-N 3.45Å; C14-A17 PolarHBondContact O-N 3.36Å; C14-S18 WeakPolarHBondContact O-CB 3.05Å; C14-S18 PolarHBondContact O-N 2.88Å |
| 15 | F | 88.2 | Confident | 85.4 | Confident | 148 Ų | 148 | 103 Ų | 103 | 65% | 0.649 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.5 | -45.7 | 175.7 | 178.5 | -98.7 | 0 | 0 | 0 | 112 | G11 C12 Y13 A17 S18 H19 | G11-F15 PolarHBondContact O-N 3.47Å; C12-F15 PolarHBondContact O-N 2.88Å; Y13-F15 PolarHBondContact O-N 3.35Å; F15-A17 PolarHBondContact O-N 3.33Å; F15-S18 PolarHBondContact O-N 3.42Å; F15-H19 VanDerWaalsContact O-CB 3.27Å; F15-H19 WeakPolarHBondContact O-CB 3.38Å; F15-H19 PolarHBondContact O-N 3.43Å |
| 16 | R | 92.2 | Very high | 86.8 | Confident | 187 Ų | 187 | 105.7 Ų | 105.7 | 71% | 0.706 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.8 | -41 | 177.4 | -71.8 | -177.4 | 96.1 | -168.3 | 6.4 | 112.1 | C12 Y13 N20 | C12-R16 WeakPolarHBondContact O-CB 3.42Å; C12-R16 VanDerWaalsContact O-CG 3.22Å; C12-R16 WeakPolarHBondContact O-CG 3.44Å; C12-R16 PolarHBondContact O-N 2.93Å; Y13-R16 PolarHBondContact O-N 3.42Å; R16-N20 VanDerWaalsContact O-CB 3.28Å; R16-N20 WeakPolarHBondContact O-CB 3.32Å; R16-N20 PolarHBondContact O-N 2.97Å |
| 17 | A | 91.6 | Very high | 88.2 | Confident | 40 Ų | 40 | 106.5 Ų | 106.5 | 33% | 0.331 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.8 | -49.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y13 C14 F15 H19 N20 E21 | Y13-A17 VanDerWaalsContact O-CB 3.31Å; Y13-A17 WeakPolarHBondContact O-CB 3.36Å; Y13-A17 PolarHBondContact O-N 2.9Å; C14-A17 PolarHBondContact O-N 3.36Å; F15-A17 PolarHBondContact O-N 3.33Å; A17-H19 PolarHBondContact O-N 3.2Å; A17-N20 PolarHBondContact O-N 3.31Å; A17-E21 PolarHBondContact O-N 3.44Å |
| 18 | S | 93.4 | Very high | 89.6 | Confident | 67 Ų | 67 | 101.4 Ų | 101.4 | 47% | 0.469 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58 | -48.3 | 176.2 | 179.7 | 0 | 0 | 0 | 0 | 112.2 | C14 F15 N20 E21 L22 | C14-S18 WeakPolarHBondContact O-CB 3.05Å; C14-S18 PolarHBondContact O-N 2.88Å; F15-S18 PolarHBondContact O-N 3.42Å; S18-N20 VanDerWaalsContact C-N 3.32Å; S18-N20 PolarHBondContact O-N 2.94Å; S18-E21 PolarHBondContact O-N 3.11Å; S18-L22 WeakPolarHBondContact O-CG 3.47Å; S18-L22 PolarHBondContact O-N 3.14Å |
| 19 | H | 94.3 | Very high | 90.8 | Very high | 109 Ų | 109 | 99.9 Ų | 99.9 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.2 | -43 | 175.1 | 172.6 | -84.9 | 0 | 0 | 0 | 112.4 | F15 A17 L22 E23 | F15-H19 VanDerWaalsContact O-CB 3.27Å; F15-H19 WeakPolarHBondContact O-CB 3.38Å; F15-H19 PolarHBondContact O-N 3.43Å; A17-H19 PolarHBondContact O-N 3.2Å; H19-L22 PolarHBondContact O-N 2.69Å; H19-E23 WeakPolarHBondContact O-CB 3.5Å; H19-E23 PolarHBondContact O-N 2.94Å |
| 20 | N | 96.4 | Very high | 91.8 | Very high | 79 Ų | 79 | 98.5 Ų | 98.5 | 42% | 0.422 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 178.8 | -175.7 | 63.5 | 0 | 0 | 0 | 112.4 | R16 A17 S18 E23 K24 | R16-N20 VanDerWaalsContact O-CB 3.28Å; R16-N20 WeakPolarHBondContact O-CB 3.32Å; R16-N20 PolarHBondContact O-N 2.97Å; A17-N20 PolarHBondContact O-N 3.31Å; S18-N20 VanDerWaalsContact C-N 3.32Å; S18-N20 PolarHBondContact O-N 2.94Å; N20-E23 PolarHBondContact O-N 3.38Å; N20-K24 VanDerWaalsContact ND2-CE 3.27Å; N20-K24 WeakPolarHBondContact ND2-CE 3.37Å; N20-K24 PolarHBondContact ND2-NZ 3.37Å; N20-K24 VanDerWaalsContact O-CG 3.32Å; N20-K24 WeakPolarHBondContact O-CG 3.34Å; N20-K24 PolarHBondContact O-N 3.28Å |
| 21 | E | 96.7 | Very high | 92.7 | Very high | 104 Ų | 104 | 102.7 Ų | 102.7 | 49% | 0.486 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66 | -41.8 | 175.1 | -68.4 | -47.6 | 122.6 | 0 | 0 | 112.2 | A17 S18 E23 K24 N25 | A17-E21 PolarHBondContact O-N 3.44Å; S18-E21 PolarHBondContact O-N 3.11Å; E21-E23 VanDerWaalsContact C-N 3.35Å; E21-E23 PolarHBondContact O-N 2.88Å; E21-K24 PolarHBondContact O-N 3.44Å; E21-K24 IonicContact OE1-NZ 3.63Å; E21-K24 PolarHBondContact OE1-NZ 3.14Å; E21-K24 IonicContact OE2-NZ 2.74Å; E21-N25 PolarHBondContact O-N 2.95Å |
| 22 | L | 96.9 | Very high | 93.6 | Very high | 117 Ų | 117 | 104 Ų | 104 | 61% | 0.613 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.3 | -43.9 | 173.9 | -70.2 | 173.6 | 0 | 0 | 0 | 111.8 | S18 H19 N25 R26 | S18-L22 WeakPolarHBondContact O-CG 3.47Å; S18-L22 PolarHBondContact O-N 3.14Å; H19-L22 PolarHBondContact O-N 2.69Å; L22-N25 PolarHBondContact O-N 3.25Å; L22-R26 WeakPolarHBondContact O-CB 3.38Å; L22-R26 PolarHBondContact O-N 2.95Å |
| 23 | E | 97.6 | Very high | 94.6 | Very high | 42 Ų | 42 | 102.5 Ų | 102.5 | 20% | 0.196 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -67.7 | -36.2 | 178.6 | 177 | 57.3 | -166 | 0 | 0 | 112.3 | H19 N20 E21 R26 R27 | H19-E23 WeakPolarHBondContact O-CB 3.5Å; H19-E23 PolarHBondContact O-N 2.94Å; N20-E23 PolarHBondContact O-N 3.38Å; E21-E23 VanDerWaalsContact C-N 3.35Å; E21-E23 PolarHBondContact O-N 2.88Å; E23-R26 PolarHBondContact O-N 2.92Å; E23-R26 IonicContact OE1-CZ 2.71Å; E23-R26 IonicContact OE1-NE 3.76Å; E23-R26 IonicContact OE1-NH2 2.74Å; E23-R26 PolarHBondContact OE1-NH2 3.5Å; E23-R26 IonicContact OE2-CZ 3.47Å; E23-R26 IonicContact OE2-NE 2.76Å; E23-R26 PolarHBondContact OE2-NE 3.24Å; E23-R26 IonicContact OE2-NH2 3.67Å; E23-R26 PolarHBondContact OE2-NH2 3.09Å; E23-R27 WeakPolarHBondContact O-CB 3.36Å; E23-R27 VanDerWaalsContact O-CG 3.24Å; E23-R27 WeakPolarHBondContact O-CG 3.26Å; E23-R27 PolarHBondContact O-N 3.48Å; E23-R27 IonicContact OE1-CZ 3.87Å; E23-R27 IonicContact OE1-NE 2.7Å; E23-R27 PolarHBondContact OE1-NE 2.95Å; E23-R27 IonicContact OE1-NH2 3.3Å; E23-R27 PolarHBondContact OE1-NH2 2.85Å |
| 24 | K | 97.9 | Very high | 95.2 | Very high | 106 Ų | 106 | 95.5 Ų | 95.5 | 46% | 0.461 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 171.9 | -76 | 171.9 | -177.4 | 171.2 | 0 | 111.3 | N20 E21 R27 A28 | N20-K24 VanDerWaalsContact ND2-CE 3.27Å; N20-K24 WeakPolarHBondContact ND2-CE 3.37Å; N20-K24 PolarHBondContact ND2-NZ 3.37Å; N20-K24 VanDerWaalsContact O-CG 3.32Å; N20-K24 WeakPolarHBondContact O-CG 3.34Å; N20-K24 PolarHBondContact O-N 3.28Å; E21-K24 PolarHBondContact O-N 3.44Å; E21-K24 IonicContact OE1-NZ 3.63Å; E21-K24 PolarHBondContact OE1-NZ 3.14Å; E21-K24 IonicContact OE2-NZ 2.74Å; K24-R27 PolarHBondContact O-N 3.11Å; K24-A28 WeakPolarHBondContact O-CB 3.47Å; K24-A28 PolarHBondContact O-N 2.98Å |
| 25 | N | 98.1 | Very high | 95.4 | Very high | 117 Ų | 117 | 96.4 Ų | 96.4 | 63% | 0.626 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.9 | -48.5 | 177.4 | -177 | -81.2 | 0 | 0 | 0 | 111.1 | E21 L22 R27 A28 H29 | E21-N25 PolarHBondContact O-N 2.95Å; L22-N25 PolarHBondContact O-N 3.25Å; N25-R27 VanDerWaalsContact C-N 3.3Å; N25-R27 PolarHBondContact O-N 3.43Å; N25-A28 WeakPolarHBondContact O-CB 3.44Å; N25-A28 PolarHBondContact O-N 2.81Å; N25-A28 VanDerWaalsContact O-N 3.09Å; N25-H29 PolarHBondContact O-N 3.43Å |
| 26 | R | 98.2 | Very high | 95.7 | Very high | 125 Ų | 125 | 95.1 Ų | 95.1 | 47% | 0.472 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -56 | -43.2 | 175.6 | -166.7 | -162.8 | 67.2 | 75.4 | 1.5 | 112 | L22 E23 H29 L30 | L22-R26 WeakPolarHBondContact O-CB 3.38Å; L22-R26 PolarHBondContact O-N 2.95Å; E23-R26 PolarHBondContact O-N 2.92Å; E23-R26 IonicContact OE1-CZ 2.71Å; E23-R26 IonicContact OE1-NE 3.76Å; E23-R26 IonicContact OE1-NH2 2.74Å; E23-R26 PolarHBondContact OE1-NH2 3.5Å; E23-R26 IonicContact OE2-CZ 3.47Å; E23-R26 IonicContact OE2-NE 2.76Å; E23-R26 PolarHBondContact OE2-NE 3.24Å; E23-R26 IonicContact OE2-NH2 3.67Å; E23-R26 PolarHBondContact OE2-NH2 3.09Å; R26-H29 PolarHBondContact O-N 3.49Å; R26-L30 PolarHBondContact O-N 3.36Å |
| 27 | R | 97.8 | Very high | 95.8 | Very high | 132 Ų | 132 | 88.1 Ų | 88.1 | 50% | 0.498 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.8 | -37.8 | 176.1 | -73.9 | 176.3 | -173.2 | -170.8 | 3.8 | 112.9 | E23 K24 N25 R31 | E23-R27 WeakPolarHBondContact O-CB 3.36Å; E23-R27 VanDerWaalsContact O-CG 3.24Å; E23-R27 WeakPolarHBondContact O-CG 3.26Å; E23-R27 PolarHBondContact O-N 3.48Å; E23-R27 IonicContact OE1-CZ 3.87Å; E23-R27 IonicContact OE1-NE 2.7Å; E23-R27 PolarHBondContact OE1-NE 2.95Å; E23-R27 IonicContact OE1-NH2 3.3Å; E23-R27 PolarHBondContact OE1-NH2 2.85Å; K24-R27 PolarHBondContact O-N 3.11Å; N25-R27 VanDerWaalsContact C-N 3.3Å; N25-R27 PolarHBondContact O-N 3.43Å; R27-R31 WeakPolarHBondContact O-CG 3.5Å; R27-R31 PolarHBondContact O-N 3.33Å; R27-R31 VanDerWaalsContact O-N 3.15Å |
| 28 | A | 97.8 | Very high | 95.8 | Very high | 55 Ų | 55 | 89.5 Ų | 89.5 | 46% | 0.455 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | K24 N25 L30 R31 S32 | K24-A28 WeakPolarHBondContact O-CB 3.47Å; K24-A28 PolarHBondContact O-N 2.98Å; N25-A28 WeakPolarHBondContact O-CB 3.44Å; N25-A28 PolarHBondContact O-N 2.81Å; N25-A28 VanDerWaalsContact O-N 3.09Å; A28-L30 PolarHBondContact O-N 3.41Å; A28-R31 PolarHBondContact O-N 2.9Å; A28-S32 PolarHBondContact O-N 2.88Å |
| 29 | H | 97.8 | Very high | 95.7 | Very high | 120 Ų | 120 | 93.8 Ų | 93.8 | 56% | 0.556 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -59 | -47.2 | 175.5 | -176.4 | 63.8 | 0 | 0 | 0 | 111.9 | N25 R26 R31 S32 C33 | N25-H29 PolarHBondContact O-N 3.43Å; R26-H29 PolarHBondContact O-N 3.49Å; H29-R31 VanDerWaalsContact C-N 3.29Å; H29-R31 PolarHBondContact O-N 3.28Å; H29-S32 WeakPolarHBondContact O-CB 3.47Å; H29-S32 PolarHBondContact O-N 3.46Å; H29-S32 VanDerWaalsContact O-N 3.09Å; H29-C33 PolarHBondContact O-N 2.83Å; H29-C33 PolarHBondContact O-SG 3.48Å; H29-C33 VanDerWaalsContact O-SG 3.37Å |
| 30 | L | 96.7 | Very high | 95.6 | Very high | 81 Ų | 81 | 94.9 Ų | 94.9 | 42% | 0.424 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -56 | -43.1 | 175.7 | 177.9 | 61.6 | 0 | 0 | 0 | 112.3 | R26 A28 C33 L34 | R26-L30 PolarHBondContact O-N 3.36Å; A28-L30 PolarHBondContact O-N 3.41Å; L30-C33 PolarHBondContact O-N 3.33Å; L30-L34 HydrophobicContact CD1-CD1 4.37Å; L30-L34 HydrophobicContact CD1-CG 4.39Å; L30-L34 HydrophobicContact CG-CD1 4.24Å; L30-L34 WeakPolarHBondContact O-CG 3.36Å; L30-L34 PolarHBondContact O-N 3.5Å |
| 31 | R | 94.7 | Very high | 95.4 | Very high | 166 Ų | 166 | 91.7 Ų | 91.7 | 63% | 0.626 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.3 | -41.7 | 176.8 | -72 | -177.8 | -177.6 | 106.6 | -5.5 | 111.9 | R27 A28 H29 L34 E35 | R27-R31 WeakPolarHBondContact O-CG 3.5Å; R27-R31 PolarHBondContact O-N 3.33Å; R27-R31 VanDerWaalsContact O-N 3.15Å; A28-R31 PolarHBondContact O-N 2.9Å; H29-R31 VanDerWaalsContact C-N 3.29Å; H29-R31 PolarHBondContact O-N 3.28Å; R31-L34 PolarHBondContact O-N 2.63Å; R31-E35 PolarHBondContact O-N 2.83Å |
| 32 | S | 96 | Very high | 95 | Very high | 66 Ų | 66 | 91 Ų | 91 | 46% | 0.462 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 175.7 | -171.6 | 0 | 0 | 0 | 0 | 111.9 | A28 H29 L34 E35 Q36 | A28-S32 PolarHBondContact O-N 2.88Å; H29-S32 WeakPolarHBondContact O-CB 3.47Å; H29-S32 PolarHBondContact O-N 3.46Å; H29-S32 VanDerWaalsContact O-N 3.09Å; S32-L34 VanDerWaalsContact C-N 3.34Å; S32-L34 PolarHBondContact O-N 2.92Å; S32-E35 WeakPolarHBondContact O-CB 3.31Å; S32-E35 PolarHBondContact O-N 3.26Å; S32-Q36 PolarHBondContact O-N 3.21Å |
| 33 | C | 96 | Very high | 94.3 | Very high | 42 Ų | 42 | 86.4 Ų | 86.4 | 28% | 0.284 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63 | -40.4 | 177.9 | -63.2 | 0 | 0 | 0 | 0 | 111.7 | H29 L30 E35 Q36 V37 | H29-C33 PolarHBondContact O-N 2.83Å; H29-C33 PolarHBondContact O-SG 3.48Å; H29-C33 VanDerWaalsContact O-SG 3.37Å; L30-C33 PolarHBondContact O-N 3.33Å; C33-E35 VanDerWaalsContact C-N 3.3Å; C33-E35 PolarHBondContact O-N 3.38Å; C33-Q36 WeakPolarHBondContact O-CB 3.47Å; C33-Q36 PolarHBondContact O-N 3.02Å; C33-V37 WeakPolarHBondContact O-CG2 3.24Å; C33-V37 PolarHBondContact O-N 2.98Å; C33-V37 VanDerWaalsContact O-N 3.08Å |
| 34 | L | 93.9 | Very high | 93.3 | Very high | 27 Ų | 27 | 86.8 Ų | 86.8 | 14% | 0.141 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -64.7 | -35.7 | 175.6 | -69 | 171.7 | 0 | 0 | 0 | 111.9 | L30 R31 S32 V37 K38 T52 L55 | L30-L34 HydrophobicContact CD1-CD1 4.37Å; L30-L34 HydrophobicContact CD1-CG 4.39Å; L30-L34 HydrophobicContact CG-CD1 4.24Å; L30-L34 WeakPolarHBondContact O-CG 3.36Å; L30-L34 PolarHBondContact O-N 3.5Å; R31-L34 PolarHBondContact O-N 2.63Å; S32-L34 VanDerWaalsContact C-N 3.34Å; S32-L34 PolarHBondContact O-N 2.92Å; L34-V37 PolarHBondContact O-N 2.9Å; L34-K38 WeakPolarHBondContact O-CG 3.34Å; L34-K38 PolarHBondContact O-N 3.15Å; L34-T52 HydrophobicContact CD1-CG2 4.02Å; L34-T52 HydrophobicContact CD2-CG2 4.01Å; L34-L55 HydrophobicContact CB-CD2 4.16Å; L34-L55 HydrophobicContact CD2-CD2 4Å; L34-L55 WeakPolarHBondContact O-CD2 3.35Å |
| 35 | E | 92.4 | Very high | 92.1 | Very high | 95 Ų | 95 | 87.4 Ų | 87.4 | 44% | 0.444 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 176 | -155.6 | 59.5 | -145.8 | 0 | 0 | 111.8 | R31 S32 C33 V37 K38 M39 | R31-E35 PolarHBondContact O-N 2.83Å; S32-E35 WeakPolarHBondContact O-CB 3.31Å; S32-E35 PolarHBondContact O-N 3.26Å; C33-E35 VanDerWaalsContact C-N 3.3Å; C33-E35 PolarHBondContact O-N 3.38Å; E35-V37 VanDerWaalsContact C-N 3.32Å; E35-V37 PolarHBondContact O-N 3.39Å; E35-K38 WeakPolarHBondContact O-CB 3.36Å; E35-K38 PolarHBondContact O-N 3.43Å; E35-K38 VanDerWaalsContact O-N 3.12Å; E35-K38 IonicContact OE1-NZ 3.15Å; E35-K38 WeakPolarHBondContact OE2-CE 3.36Å; E35-K38 IonicContact OE2-NZ 3.24Å; E35-K38 PolarHBondContact OE2-NZ 3.41Å; E35-M39 PolarHBondContact O-N 3.23Å |
| 36 | Q | 94.2 | Very high | 90.4 | Very high | 120 Ų | 120 | 89.6 Ų | 89.6 | 56% | 0.561 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -59.3 | -42.5 | 172.1 | -68.6 | 175 | -27.9 | 0 | 0 | 111.8 | S32 C33 K38 M39 L40 | S32-Q36 PolarHBondContact O-N 3.21Å; C33-Q36 WeakPolarHBondContact O-CB 3.47Å; C33-Q36 PolarHBondContact O-N 3.02Å; Q36-K38 VanDerWaalsContact C-N 3.29Å; Q36-K38 PolarHBondContact O-N 3.45Å; Q36-M39 PolarHBondContact O-N 3.31Å; Q36-L40 WeakPolarHBondContact O-CG 3.48Å; Q36-L40 PolarHBondContact O-N 3.06Å |
| 37 | V | 94.1 | Very high | 88.7 | Confident | 41 Ų | 41 | 86.1 Ų | 86.1 | 25% | 0.248 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -61.9 | -37.7 | 175.9 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | C33 L34 E35 M39 L40 V41 L55 A59 | C33-V37 WeakPolarHBondContact O-CG2 3.24Å; C33-V37 PolarHBondContact O-N 2.98Å; C33-V37 VanDerWaalsContact O-N 3.08Å; L34-V37 PolarHBondContact O-N 2.9Å; E35-V37 VanDerWaalsContact C-N 3.32Å; E35-V37 PolarHBondContact O-N 3.39Å; V37-M39 VanDerWaalsContact C-N 3.29Å; V37-M39 PolarHBondContact O-N 2.88Å; V37-L40 PolarHBondContact O-N 3.23Å; V37-V41 HydrophobicContact CG1-CG2 3.93Å; V37-V41 WeakPolarHBondContact O-CG2 3.45Å; V37-V41 PolarHBondContact O-N 3.27Å; V37-V41 VanDerWaalsContact O-N 3.1Å; V37-L55 HydrophobicContact CB-CD2 4.29Å; V37-L55 HydrophobicContact CB-CG 4.47Å; V37-L55 HydrophobicContact CG1-CD1 3.87Å; V37-L55 HydrophobicContact CG1-CD2 4.22Å; V37-L55 HydrophobicContact CG1-CG 3.86Å; V37-A59 HydrophobicContact CG1-CB 4.01Å |
| 38 | K | 90.9 | Very high | 87.3 | Confident | 69 Ų | 69 | 87.3 Ų | 87.3 | 30% | 0.3 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.9 | -34.1 | 177.7 | -67.1 | 176.8 | -168.1 | 164 | 0 | 113.3 | L34 E35 Q36 L40 L43 L55 | L34-K38 WeakPolarHBondContact O-CG 3.34Å; L34-K38 PolarHBondContact O-N 3.15Å; E35-K38 WeakPolarHBondContact O-CB 3.36Å; E35-K38 PolarHBondContact O-N 3.43Å; E35-K38 VanDerWaalsContact O-N 3.12Å; E35-K38 IonicContact OE1-NZ 3.15Å; E35-K38 WeakPolarHBondContact OE2-CE 3.36Å; E35-K38 IonicContact OE2-NZ 3.24Å; E35-K38 PolarHBondContact OE2-NZ 3.41Å; Q36-K38 VanDerWaalsContact C-N 3.29Å; Q36-K38 PolarHBondContact O-N 3.45Å; K38-L40 VanDerWaalsContact C-N 3.28Å; K38-L40 PolarHBondContact O-N 3.38Å; K38-L43 HydrophobicContact CB-CD1 3.72Å; K38-L43 HydrophobicContact CG-CD1 3.72Å; K38-L55 HydrophobicContact CG-CD1 3.9Å; K38-L55 HydrophobicContact CG-CD2 3.7Å; K38-L55 HydrophobicContact CG-CG 4.48Å |
| 39 | M | 90.4 | Very high | 86.4 | Confident | 157 Ų | 157 | 94.5 Ų | 94.5 | 77% | 0.773 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70 | -26.6 | 177.9 | -64.2 | -57.1 | -62.5 | 0 | 0 | 112.8 | E35 Q36 V37 | E35-M39 PolarHBondContact O-N 3.23Å; Q36-M39 PolarHBondContact O-N 3.31Å; V37-M39 VanDerWaalsContact C-N 3.29Å; V37-M39 PolarHBondContact O-N 2.88Å |
| 40 | L | 93.4 | Very high | 85.6 | Confident | 131 Ų | 131 | 90.8 Ų | 90.8 | 69% | 0.686 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -91.1 | -30.8 | -177.1 | -63.6 | 174 | 0 | 0 | 0 | 113.2 | Q36 V37 K38 F62 | Q36-L40 WeakPolarHBondContact O-CG 3.48Å; Q36-L40 PolarHBondContact O-N 3.06Å; V37-L40 PolarHBondContact O-N 3.23Å; K38-L40 VanDerWaalsContact C-N 3.28Å; K38-L40 PolarHBondContact O-N 3.38Å; L40-F62 VanDerWaalsContact O-CE1 3.26Å; L40-F62 WeakPolarHBondContact O-CE1 3.43Å |
| 41 | V | 91.7 | Very high | 85.4 | Confident | 13 Ų | 13 | 90.6 Ų | 90.6 | 8% | 0.079 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -91.9 | 132.1 | -174.4 | 179.4 | 0 | 0 | 0 | 0 | 109.6 | V37 L43 K58 A59 F62 | V37-V41 HydrophobicContact CG1-CG2 3.93Å; V37-V41 WeakPolarHBondContact O-CG2 3.45Å; V37-V41 PolarHBondContact O-N 3.27Å; V37-V41 VanDerWaalsContact O-N 3.1Å; V41-L43 HydrophobicContact CB-CD2 4.2Å; V41-L43 HydrophobicContact CB-CG 4.19Å; V41-L43 HydrophobicContact CG1-CD2 3.71Å; V41-L43 HydrophobicContact CG1-CG 4.11Å; V41-L43 WeakPolarHBondContact O-CG 3.4Å; V41-L43 PolarHBondContact O-N 3.03Å; V41-K58 HydrophobicContact CG1-CB 4.07Å; V41-A59 HydrophobicContact CG2-CB 3.69Å; V41-F62 HydrophobicContact CG1-CB 4.35Å; V41-F62 HydrophobicContact CG2-CD1 4.4Å |
| 42 | P | 89 | Confident | 85.3 | Confident | 89 Ų | 89 | 86.3 Ų | 86.3 | 58% | 0.578 | 47% | 0.472 | S | S | * | . | trans | -70.4 | 93.4 | 172.7 | 29 | -33.8 | 0 | 0 | 0 | 109.2 | F62 | P42-F62 VanDerWaalsContact CD-CD2 3.48Å; P42-F62 VanDerWaalsContact CD-CE2 3.48Å; P42-F62 HydrophobicContact CG-CD2 3.53Å; P42-F62 HydrophobicContact CG-CE1 4.48Å; P42-F62 HydrophobicContact CG-CE2 3.5Å; P42-F62 HydrophobicContact CG-CG 4.08Å; P42-F62 HydrophobicContact CG-CZ 4Å | ||
| 43 | L | 82.6 | Confident | 85.2 | Confident | 20 Ų | 20 | 89.2 Ų | 89.2 | 11% | 0.105 | 48% | 0.482 | C | S | . | . | trans | -85.6 | -13.3 | -171.9 | -75.8 | 177.7 | 0 | 0 | 0 | 114.5 | K38 V41 H50 L55 K58 | K38-L43 HydrophobicContact CB-CD1 3.72Å; K38-L43 HydrophobicContact CG-CD1 3.72Å; V41-L43 HydrophobicContact CB-CD2 4.2Å; V41-L43 HydrophobicContact CB-CG 4.19Å; V41-L43 HydrophobicContact CG1-CD2 3.71Å; V41-L43 HydrophobicContact CG1-CG 4.11Å; V41-L43 WeakPolarHBondContact O-CG 3.4Å; V41-L43 PolarHBondContact O-N 3.03Å; L43-H50 VanDerWaalsContact CB-CE1 3.49Å; L43-H50 WeakPolarHBondContact CB-CE1 3.31Å; L43-L55 HydrophobicContact CD1-CD1 3.72Å; L43-L55 HydrophobicContact CD2-CD1 3.75Å; L43-L55 HydrophobicContact CG-CD1 4.29Å; L43-K58 HydrophobicContact CD2-CB 4.14Å; L43-K58 HydrophobicContact CD2-CD 3.52Å; L43-K58 HydrophobicContact CD2-CG 4.47Å; L43-K58 PolarHBondContact O-NZ 2.88Å | ||
| 44 | G | 76.2 | Confident | 85 | Confident | 50 Ų | 50 | 88.9 Ų | 88.9 | 52% | 0.515 | 48% | 0.48 | S | S | . | . | trans | 70.2 | 161.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E46 | G44-E46 PolarHBondContact O-N 3.23Š| ||
| 45 | P | 72.7 | Confident | 84.9 | Confident | 119 Ų | 119 | 87.8 Ų | 87.8 | 77% | 0.773 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -15.5 | 175.1 | 28.1 | -34.1 | 0 | 0 | 0 | 113.2 | T47 | P45-T47 PolarHBondContact O-N 3.48Š|
| 46 | E | 61.9 | Low | 85 | Confident | 163 Ų | 163 | 87.7 Ų | 87.7 | 76% | 0.762 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | 1.8 | -163.3 | -67.7 | -52.6 | 122.5 | 0 | 0 | 116.8 | G44 | G44-E46 PolarHBondContact O-N 3.23Š|
| 47 | T | 63.3 | Low | 85 | Confident | 53 Ų | 53 | 86 Ų | 86 | 33% | 0.325 | 47% | 0.474 | S | S | . | . | trans | -145.9 | 98.9 | 173 | 56.3 | 0 | 0 | 0 | 0 | 110.6 | P45 R49 H50 | P45-T47 PolarHBondContact O-N 3.48Å; T47-R49 PolarHBondContact O-N 3.4Å; T47-H50 PolarHBondContact O-NE2 2.87Å; T47-H50 PolarHBondContact OG1-CE1 3.1Å; T47-H50 PolarHBondContact OG1-ND1 3.21Å; T47-H50 PolarHBondContact OG1-NE2 3.16Å | ||
| 48 | T | 67 | Low | 85 | Confident | 157 Ų | 157 | 87.6 Ų | 87.6 | 96% | 0.963 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -52.3 | -18.5 | 168.5 | 53.6 | 0 | 0 | 0 | 0 | 112.9 | ||
| 49 | R | 78.8 | Confident | 85.2 | Confident | 206 Ų | 206 | 85.1 Ų | 85.1 | 78% | 0.777 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -137.4 | 120.2 | 174.8 | -176.9 | 175 | 177.6 | -109.4 | 3.1 | 112 | T47 | T47-R49 PolarHBondContact O-N 3.4Š|
| 50 | H | 82.7 | Confident | 85.5 | Confident | 42 Ų | 42 | 85.6 Ų | 85.6 | 19% | 0.194 | 46% | 0.463 | C | S | . | . | trans | -95.3 | 137.5 | 169.3 | -60.7 | -80.2 | 0 | 0 | 0 | 111.4 | L43 T47 | L43-H50 VanDerWaalsContact CB-CE1 3.49Å; L43-H50 WeakPolarHBondContact CB-CE1 3.31Å; T47-H50 PolarHBondContact O-NE2 2.87Å; T47-H50 PolarHBondContact OG1-CE1 3.1Å; T47-H50 PolarHBondContact OG1-ND1 3.21Å; T47-H50 PolarHBondContact OG1-NE2 3.16Å | ||
| 51 | T | 91.6 | Very high | 85.6 | Confident | 76 Ų | 76 | 82.6 Ų | 82.6 | 47% | 0.466 | 45% | 0.453 | S | S | . | . | trans | -81.6 | 154.6 | 165.3 | 68.2 | 0 | 0 | 0 | 0 | 110.2 | L53 S54 L55 | T51-L53 VanDerWaalsContact C-N 3.27Å; T51-L53 PolarHBondContact O-N 3.17Å; T51-S54 PolarHBondContact N-OG 3.45Å; T51-S54 PolarHBondContact O-N 2.97Å; T51-S54 VanDerWaalsContact O-N 3.15Å; T51-S54 PolarHBondContact O-OG 3.18Å; T51-S54 VanDerWaalsContact OG1-CB 3.29Å; T51-S54 WeakPolarHBondContact OG1-CB 3.26Å; T51-S54 PolarHBondContact OG1-N 3.07Å; T51-S54 VanDerWaalsContact OG1-N 3.15Å; T51-S54 PolarHBondContact OG1-OG 2.98Å; T51-S54 VanDerWaalsContact OG1-OG 3.14Å; T51-L55 PolarHBondContact O-N 3.29Å | ||
| 52 | T | 92.5 | Very high | 85.8 | Confident | 76 Ų | 76 | 84.7 Ų | 84.7 | 47% | 0.466 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -54.2 | -44 | 176.6 | -51.9 | 0 | 0 | 0 | 0 | 111.9 | L34 L55 L56 | L34-T52 HydrophobicContact CD1-CG2 4.02Å; L34-T52 HydrophobicContact CD2-CG2 4.01Å; T52-L55 PolarHBondContact O-N 3.02Å; T52-L56 HydrophobicContact CG2-CD1 4.02Å; T52-L56 HydrophobicContact CG2-CG 4.47Å; T52-L56 VanDerWaalsContact O-CG 3.28Å; T52-L56 WeakPolarHBondContact O-CG 3.31Å; T52-L56 PolarHBondContact O-N 3Å |
| 53 | L | 94.1 | Very high | 86.2 | Confident | 128 Ų | 128 | 85 Ų | 85 | 67% | 0.67 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.3 | -44.6 | 178.7 | -178 | 64.4 | 0 | 0 | 0 | 111.9 | T51 L55 L56 T57 | T51-L53 VanDerWaalsContact C-N 3.27Å; T51-L53 PolarHBondContact O-N 3.17Å; L53-L55 VanDerWaalsContact C-N 3.31Å; L53-L55 PolarHBondContact O-N 3.08Å; L53-L56 PolarHBondContact O-N 3.41Å; L53-T57 WeakPolarHBondContact O-CB 3.43Å; L53-T57 PolarHBondContact O-N 3.26Å; L53-T57 PolarHBondContact O-OG1 3.32Å |
| 54 | S | 91 | Very high | 86.9 | Confident | 35 Ų | 35 | 89.5 Ų | 89.5 | 25% | 0.245 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 178.6 | 70.9 | 0 | 0 | 0 | 0 | 111.8 | T51 T57 K58 | T51-S54 PolarHBondContact N-OG 3.45Å; T51-S54 PolarHBondContact O-N 2.97Å; T51-S54 VanDerWaalsContact O-N 3.15Å; T51-S54 PolarHBondContact O-OG 3.18Å; T51-S54 VanDerWaalsContact OG1-CB 3.29Å; T51-S54 WeakPolarHBondContact OG1-CB 3.26Å; T51-S54 PolarHBondContact OG1-N 3.07Å; T51-S54 VanDerWaalsContact OG1-N 3.15Å; T51-S54 PolarHBondContact OG1-OG 2.98Å; T51-S54 VanDerWaalsContact OG1-OG 3.14Å; S54-T57 PolarHBondContact O-N 3.23Å; S54-K58 WeakPolarHBondContact O-CB 3.49Å; S54-K58 WeakPolarHBondContact O-CG 3.5Å; S54-K58 PolarHBondContact O-N 3.4Å |
| 55 | L | 93 | Very high | 87.9 | Confident | 3 Ų | 3 | 90.1 Ų | 90.1 | 2% | 0.016 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -64.2 | -48.9 | 179 | -179.1 | 58 | 0 | 0 | 0 | 111.3 | L34 V37 K38 L43 T51 T52 L53 T57 K58 A59 | L34-L55 HydrophobicContact CB-CD2 4.16Å; L34-L55 HydrophobicContact CD2-CD2 4Å; L34-L55 WeakPolarHBondContact O-CD2 3.35Å; V37-L55 HydrophobicContact CB-CD2 4.29Å; V37-L55 HydrophobicContact CB-CG 4.47Å; V37-L55 HydrophobicContact CG1-CD1 3.87Å; V37-L55 HydrophobicContact CG1-CD2 4.22Å; V37-L55 HydrophobicContact CG1-CG 3.86Å; K38-L55 HydrophobicContact CG-CD1 3.9Å; K38-L55 HydrophobicContact CG-CD2 3.7Å; K38-L55 HydrophobicContact CG-CG 4.48Å; L43-L55 HydrophobicContact CD1-CD1 3.72Å; L43-L55 HydrophobicContact CD2-CD1 3.75Å; L43-L55 HydrophobicContact CG-CD1 4.29Å; T51-L55 PolarHBondContact O-N 3.29Å; T52-L55 PolarHBondContact O-N 3.02Å; L53-L55 VanDerWaalsContact C-N 3.31Å; L53-L55 PolarHBondContact O-N 3.08Å; L55-T57 VanDerWaalsContact C-N 3.32Å; L55-T57 PolarHBondContact O-N 3.34Å; L55-K58 PolarHBondContact O-N 3.45Å; L55-A59 WeakPolarHBondContact O-CB 3.42Å; L55-A59 PolarHBondContact O-N 2.71Å |
| 56 | L | 94.5 | Very high | 89.1 | Confident | 94 Ų | 94 | 88 Ų | 88 | 49% | 0.492 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.2 | -37.8 | 179.3 | -65.9 | 175 | 0 | 0 | 0 | 112 | T52 L53 R60 | T52-L56 HydrophobicContact CG2-CD1 4.02Å; T52-L56 HydrophobicContact CG2-CG 4.47Å; T52-L56 VanDerWaalsContact O-CG 3.28Å; T52-L56 WeakPolarHBondContact O-CG 3.31Å; T52-L56 PolarHBondContact O-N 3Å; L53-L56 PolarHBondContact O-N 3.41Å; L56-R60 WeakPolarHBondContact O-CB 3.39Å; L56-R60 PolarHBondContact O-N 3.12Å |
| 57 | T | 94.3 | Very high | 90.8 | Very high | 84 Ų | 84 | 84.9 Ų | 84.9 | 52% | 0.515 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.9 | -45.8 | 177.5 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | L53 S54 L55 R60 S61 | L53-T57 WeakPolarHBondContact O-CB 3.43Å; L53-T57 PolarHBondContact O-N 3.26Å; L53-T57 PolarHBondContact O-OG1 3.32Å; S54-T57 PolarHBondContact O-N 3.23Å; L55-T57 VanDerWaalsContact C-N 3.32Å; L55-T57 PolarHBondContact O-N 3.34Å; T57-R60 PolarHBondContact O-N 3.05Å; T57-S61 PolarHBondContact O-N 2.98Å |
| 58 | K | 93.1 | Very high | 92.5 | Very high | 75 Ų | 75 | 87.3 Ų | 87.3 | 33% | 0.326 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 175.1 | -74.8 | -175.9 | 175.8 | -170.2 | 0 | 111.5 | V41 L43 S54 L55 R60 S61 F62 | V41-K58 HydrophobicContact CG1-CB 4.07Å; L43-K58 HydrophobicContact CD2-CB 4.14Å; L43-K58 HydrophobicContact CD2-CD 3.52Å; L43-K58 HydrophobicContact CD2-CG 4.47Å; L43-K58 PolarHBondContact O-NZ 2.88Å; S54-K58 WeakPolarHBondContact O-CB 3.49Å; S54-K58 WeakPolarHBondContact O-CG 3.5Å; S54-K58 PolarHBondContact O-N 3.4Å; L55-K58 PolarHBondContact O-N 3.45Å; K58-R60 PolarHBondContact O-N 2.85Å; K58-S61 WeakPolarHBondContact O-CB 3.49Å; K58-S61 PolarHBondContact O-N 3.19Å; K58-F62 WeakPolarHBondContact O-CB 3.48Å; K58-F62 PolarHBondContact O-N 3.42Å |
| 59 | A | 95.6 | Very high | 94 | Very high | 16 Ų | 16 | 84.8 Ų | 84.8 | 13% | 0.132 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -58.5 | -46.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V37 V41 L55 S61 F62 I63 | V37-A59 HydrophobicContact CG1-CB 4.01Å; V41-A59 HydrophobicContact CG2-CB 3.69Å; L55-A59 WeakPolarHBondContact O-CB 3.42Å; L55-A59 PolarHBondContact O-N 2.71Å; A59-S61 VanDerWaalsContact C-N 3.33Å; A59-S61 PolarHBondContact O-N 2.82Å; A59-F62 PolarHBondContact O-N 3.19Å; A59-I63 WeakPolarHBondContact O-CG1 3.44Å; A59-I63 PolarHBondContact O-N 3.4Å |
| 60 | R | 96.6 | Very high | 94.9 | Very high | 168 Ų | 168 | 79.4 Ų | 79.4 | 63% | 0.634 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -60 | -42.8 | 175.7 | -176.7 | -175.8 | -179.9 | -151.5 | 2.5 | 112 | L56 T57 K58 F62 K64 | L56-R60 WeakPolarHBondContact O-CB 3.39Å; L56-R60 PolarHBondContact O-N 3.12Å; T57-R60 PolarHBondContact O-N 3.05Å; K58-R60 PolarHBondContact O-N 2.85Å; R60-F62 VanDerWaalsContact C-N 3.34Å; R60-K64 WeakPolarHBondContact O-CG 3.39Å; R60-K64 PolarHBondContact O-N 3.41Å |
| 61 | S | 95.5 | Very high | 95.6 | Very high | 68 Ų | 68 | 83.4 Ų | 83.4 | 48% | 0.476 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 176.2 | -169.1 | 0 | 0 | 0 | 0 | 111.4 | T57 K58 A59 K64 T65 | T57-S61 PolarHBondContact O-N 2.98Å; K58-S61 WeakPolarHBondContact O-CB 3.49Å; K58-S61 PolarHBondContact O-N 3.19Å; A59-S61 VanDerWaalsContact C-N 3.33Å; A59-S61 PolarHBondContact O-N 2.82Å; S61-K64 WeakPolarHBondContact O-CB 3.47Å; S61-K64 PolarHBondContact O-N 2.65Å; S61-T65 PolarHBondContact O-N 2.94Å; S61-T65 PolarHBondContact O-OG1 3.48Å |
| 62 | F | 96.5 | Very high | 95.9 | Very high | 57 Ų | 57 | 84.8 Ų | 84.8 | 25% | 0.25 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -64.2 | -42.7 | -178.7 | -177 | -127.8 | 0 | 0 | 0 | 112 | L40 V41 P42 K58 A59 R60 K64 T65 L66 | L40-F62 VanDerWaalsContact O-CE1 3.26Å; L40-F62 WeakPolarHBondContact O-CE1 3.43Å; V41-F62 HydrophobicContact CG1-CB 4.35Å; V41-F62 HydrophobicContact CG2-CD1 4.4Å; P42-F62 VanDerWaalsContact CD-CD2 3.48Å; P42-F62 VanDerWaalsContact CD-CE2 3.48Å; P42-F62 HydrophobicContact CG-CD2 3.53Å; P42-F62 HydrophobicContact CG-CE1 4.48Å; P42-F62 HydrophobicContact CG-CE2 3.5Å; P42-F62 HydrophobicContact CG-CG 4.08Å; P42-F62 HydrophobicContact CG-CZ 4Å; K58-F62 WeakPolarHBondContact O-CB 3.48Å; K58-F62 PolarHBondContact O-N 3.42Å; A59-F62 PolarHBondContact O-N 3.19Å; R60-F62 VanDerWaalsContact C-N 3.34Å; F62-K64 VanDerWaalsContact C-N 3.32Å; F62-K64 PolarHBondContact O-N 2.98Å; F62-T65 PolarHBondContact O-N 3.01Å; F62-T65 VanDerWaalsContact O-N 3.16Å; F62-L66 HydrophobicContact CD1-CD1 3.97Å; F62-L66 HydrophobicContact CD2-CG 4.21Å; F62-L66 HydrophobicContact CE1-CD1 3.56Å; F62-L66 HydrophobicContact CE1-CG 4.2Å; F62-L66 HydrophobicContact CE2-CD1 4.13Å; F62-L66 HydrophobicContact CE2-CD2 3.9Å; F62-L66 HydrophobicContact CE2-CG 3.85Å; F62-L66 HydrophobicContact CG-CD1 4.43Å; F62-L66 HydrophobicContact CZ-CD1 3.65Å; F62-L66 HydrophobicContact CZ-CD2 3.87Å; F62-L66 HydrophobicContact CZ-CG 3.85Å; F62-L66 WeakPolarHBondContact O-CG 3.33Å; F62-L66 PolarHBondContact O-N 3.46Å |
| 63 | I | 97.5 | Very high | 96.2 | Very high | 95 Ų | 95 | 86.5 Ų | 86.5 | 49% | 0.487 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -55.6 | -48.3 | 173 | -67.2 | 165.4 | 0 | 0 | 0 | 110.5 | A59 T65 L66 E67 | A59-I63 WeakPolarHBondContact O-CG1 3.44Å; A59-I63 PolarHBondContact O-N 3.4Å; I63-T65 VanDerWaalsContact C-N 3.32Å; I63-T65 PolarHBondContact O-N 2.97Å; I63-L66 PolarHBondContact O-N 3.25Å; I63-E67 HydrophobicContact CG2-CG 4.35Å; I63-E67 VanDerWaalsContact O-CG 3.31Å; I63-E67 WeakPolarHBondContact O-CG 3.32Å; I63-E67 PolarHBondContact O-N 2.97Å |
| 64 | K | 97.6 | Very high | 96.4 | Very high | 114 Ų | 114 | 87.2 Ų | 87.2 | 50% | 0.496 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.1 | -40 | 178 | -68.8 | -179.7 | 175.4 | -169.9 | 0 | 112.8 | R60 S61 F62 Q68 | R60-K64 WeakPolarHBondContact O-CG 3.39Å; R60-K64 PolarHBondContact O-N 3.41Å; S61-K64 WeakPolarHBondContact O-CB 3.47Å; S61-K64 PolarHBondContact O-N 2.65Å; F62-K64 VanDerWaalsContact C-N 3.32Å; F62-K64 PolarHBondContact O-N 2.98Å; K64-Q68 PolarHBondContact O-N 3.3Å |
| 65 | T | 96.8 | Very high | 96.7 | Very high | 64 Ų | 64 | 90.7 Ų | 90.7 | 39% | 0.393 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 176.6 | -60.4 | 0 | 0 | 0 | 0 | 111.1 | S61 F62 I63 Q68 Q69 | S61-T65 PolarHBondContact O-N 2.94Å; S61-T65 PolarHBondContact O-OG1 3.48Å; F62-T65 PolarHBondContact O-N 3.01Å; F62-T65 VanDerWaalsContact O-N 3.16Å; I63-T65 VanDerWaalsContact C-N 3.32Å; I63-T65 PolarHBondContact O-N 2.97Å; T65-Q68 PolarHBondContact O-N 3.09Å; T65-Q69 WeakPolarHBondContact O-CG 3.5Å; T65-Q69 PolarHBondContact O-N 3.02Å |
| 66 | L | 97.7 | Very high | 97 | Very high | 75 Ų | 75 | 95.9 Ų | 95.9 | 39% | 0.393 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 176.1 | -72 | 177.5 | 0 | 0 | 0 | 111.6 | F62 I63 Q68 Q69 E70 | F62-L66 HydrophobicContact CD1-CD1 3.97Å; F62-L66 HydrophobicContact CD2-CG 4.21Å; F62-L66 HydrophobicContact CE1-CD1 3.56Å; F62-L66 HydrophobicContact CE1-CG 4.2Å; F62-L66 HydrophobicContact CE2-CD1 4.13Å; F62-L66 HydrophobicContact CE2-CD2 3.9Å; F62-L66 HydrophobicContact CE2-CG 3.85Å; F62-L66 HydrophobicContact CG-CD1 4.43Å; F62-L66 HydrophobicContact CZ-CD1 3.65Å; F62-L66 HydrophobicContact CZ-CD2 3.87Å; F62-L66 HydrophobicContact CZ-CG 3.85Å; F62-L66 WeakPolarHBondContact O-CG 3.33Å; F62-L66 PolarHBondContact O-N 3.46Å; I63-L66 PolarHBondContact O-N 3.25Å; L66-Q68 VanDerWaalsContact C-N 3.29Å; L66-Q68 PolarHBondContact O-N 2.92Å; L66-Q69 PolarHBondContact O-N 3.37Å; L66-E70 WeakPolarHBondContact O-CB 3.47Å; L66-E70 PolarHBondContact O-N 3.19Å |
| 67 | E | 98 | Very high | 97.2 | Very high | 97 Ų | 97 | 97.8 Ų | 97.8 | 45% | 0.453 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.1 | -40.4 | 175.4 | -73.1 | 172.1 | 168.5 | 0 | 0 | 111.9 | I63 K71 | I63-E67 HydrophobicContact CG2-CG 4.35Å; I63-E67 VanDerWaalsContact O-CG 3.31Å; I63-E67 WeakPolarHBondContact O-CG 3.32Å; I63-E67 PolarHBondContact O-N 2.97Å; E67-K71 VanDerWaalsContact O-CG 3.31Å; E67-K71 WeakPolarHBondContact O-CG 3.36Å; E67-K71 PolarHBondContact O-N 3.03Å |
| 68 | Q | 97.9 | Very high | 97.4 | Very high | 103 Ų | 103 | 99.3 Ų | 99.3 | 48% | 0.481 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.6 | -42.8 | 177.1 | -175 | 59.6 | 30.8 | 0 | 0 | 111.8 | K64 T65 L66 E70 K71 M72 | K64-Q68 PolarHBondContact O-N 3.3Å; T65-Q68 PolarHBondContact O-N 3.09Å; L66-Q68 VanDerWaalsContact C-N 3.29Å; L66-Q68 PolarHBondContact O-N 2.92Å; Q68-E70 VanDerWaalsContact C-N 3.33Å; Q68-K71 PolarHBondContact O-N 3.41Å; Q68-M72 WeakPolarHBondContact O-CG 3.49Å; Q68-M72 PolarHBondContact O-N 3.37Å |
| 69 | Q | 97.9 | Very high | 97.6 | Very high | 105 Ų | 105 | 99.1 Ų | 99.1 | 49% | 0.491 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 175.2 | -74.8 | 177.6 | -6.8 | 0 | 0 | 111.1 | T65 L66 K71 M72 L73 | T65-Q69 WeakPolarHBondContact O-CG 3.5Å; T65-Q69 PolarHBondContact O-N 3.02Å; L66-Q69 PolarHBondContact O-N 3.37Å; Q69-K71 PolarHBondContact O-N 3.15Å; Q69-M72 PolarHBondContact O-N 3.04Å; Q69-L73 WeakPolarHBondContact O-CB 3.41Å; Q69-L73 VanDerWaalsContact O-CG 3.31Å; Q69-L73 WeakPolarHBondContact O-CG 3.37Å; Q69-L73 PolarHBondContact O-N 3.43Å |
| 70 | E | 98.4 | Very high | 97.7 | Very high | 92 Ų | 92 | 102.7 Ų | 102.7 | 43% | 0.43 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59 | -45.8 | 175.8 | -177.2 | -179.3 | -160.1 | 0 | 0 | 111.4 | L66 Q68 M72 L73 R74 | L66-E70 WeakPolarHBondContact O-CB 3.47Å; L66-E70 PolarHBondContact O-N 3.19Å; Q68-E70 VanDerWaalsContact C-N 3.33Å; E70-M72 VanDerWaalsContact C-N 3.34Å; E70-M72 PolarHBondContact O-N 3.42Å; E70-L73 PolarHBondContact O-N 3.36Å; E70-R74 HydrophobicContact CG-CG 4.3Å; E70-R74 WeakPolarHBondContact O-CB 3.33Å; E70-R74 VanDerWaalsContact O-CG 3.24Å; E70-R74 WeakPolarHBondContact O-CG 3.28Å; E70-R74 PolarHBondContact O-N 3.01Å; E70-R74 IonicContact OE1-CZ 3.35Å; E70-R74 VanDerWaalsContact OE1-CZ 3.24Å; E70-R74 IonicContact OE1-NE 3.47Å; E70-R74 PolarHBondContact OE1-NE 3.32Å; E70-R74 VanDerWaalsContact OE1-NE 3.15Å; E70-R74 IonicContact OE1-NH2 2.63Å; E70-R74 PolarHBondContact OE1-NH2 3.15Å; E70-R74 IonicContact OE2-NH2 3.9Å |
| 71 | K | 98.1 | Very high | 97.8 | Very high | 126 Ų | 126 | 98.3 Ų | 98.3 | 55% | 0.548 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 175.3 | -74 | 171.6 | -174.6 | 174.8 | 0 | 112.3 | E67 Q68 Q69 R74 F75 | E67-K71 VanDerWaalsContact O-CG 3.31Å; E67-K71 WeakPolarHBondContact O-CG 3.36Å; E67-K71 PolarHBondContact O-N 3.03Å; Q68-K71 PolarHBondContact O-N 3.41Å; Q69-K71 PolarHBondContact O-N 3.15Å; K71-R74 PolarHBondContact O-N 3.14Å; K71-F75 WeakPolarHBondContact O-CB 3.42Å; K71-F75 PolarHBondContact O-N 2.94Å |
| 72 | M | 98 | Very high | 97.9 | Very high | 106 Ų | 106 | 98.7 Ų | 98.7 | 52% | 0.522 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 177.8 | -68.4 | -58.1 | -56.4 | 0 | 0 | 111.7 | Q68 Q69 E70 F75 E76 | Q68-M72 WeakPolarHBondContact O-CG 3.49Å; Q68-M72 PolarHBondContact O-N 3.37Å; Q69-M72 PolarHBondContact O-N 3.04Å; E70-M72 VanDerWaalsContact C-N 3.34Å; E70-M72 PolarHBondContact O-N 3.42Å; M72-F75 PolarHBondContact O-N 3.45Å; M72-E76 PolarHBondContact O-N 2.96Å |
| 73 | L | 98.2 | Very high | 97.9 | Very high | 111 Ų | 111 | 102.6 Ų | 102.6 | 58% | 0.581 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.5 | -39.1 | 178 | -70.3 | 172.3 | 0 | 0 | 0 | 112.1 | Q69 E70 E76 K77 | Q69-L73 WeakPolarHBondContact O-CB 3.41Å; Q69-L73 VanDerWaalsContact O-CG 3.31Å; Q69-L73 WeakPolarHBondContact O-CG 3.37Å; Q69-L73 PolarHBondContact O-N 3.43Å; E70-L73 PolarHBondContact O-N 3.36Å; L73-E76 PolarHBondContact O-N 2.73Å; L73-K77 WeakPolarHBondContact O-CB 3.29Å; L73-K77 PolarHBondContact O-N 3.44Å |
| 74 | R | 98.3 | Very high | 97.9 | Very high | 143 Ų | 143 | 102.9 Ų | 102.9 | 54% | 0.54 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 173.7 | -75.4 | 176.2 | -178.3 | -157.9 | 4.4 | 111 | E70 K71 E76 K77 E78 | E70-R74 HydrophobicContact CG-CG 4.3Å; E70-R74 WeakPolarHBondContact O-CB 3.33Å; E70-R74 VanDerWaalsContact O-CG 3.24Å; E70-R74 WeakPolarHBondContact O-CG 3.28Å; E70-R74 PolarHBondContact O-N 3.01Å; E70-R74 IonicContact OE1-CZ 3.35Å; E70-R74 VanDerWaalsContact OE1-CZ 3.24Å; E70-R74 IonicContact OE1-NE 3.47Å; E70-R74 PolarHBondContact OE1-NE 3.32Å; E70-R74 VanDerWaalsContact OE1-NE 3.15Å; E70-R74 IonicContact OE1-NH2 2.63Å; E70-R74 PolarHBondContact OE1-NH2 3.15Å; E70-R74 IonicContact OE2-NH2 3.9Å; K71-R74 PolarHBondContact O-N 3.14Å; R74-E76 PolarHBondContact O-N 3.29Å; R74-K77 WeakPolarHBondContact O-CB 3.37Å; R74-K77 PolarHBondContact O-N 3.01Å; R74-E78 WeakPolarHBondContact O-CG 3.42Å; R74-E78 PolarHBondContact O-N 2.77Å |
| 75 | F | 98.3 | Very high | 97.9 | Very high | 109 Ų | 109 | 102.6 Ų | 102.6 | 48% | 0.478 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 176.8 | 178.2 | -114.2 | 0 | 0 | 0 | 112.6 | K71 M72 E78 Q79 | K71-F75 WeakPolarHBondContact O-CB 3.42Å; K71-F75 PolarHBondContact O-N 2.94Å; M72-F75 PolarHBondContact O-N 3.45Å; F75-E78 PolarHBondContact O-N 2.97Å; F75-Q79 HydrophobicContact CE1-CG 4.46Å; F75-Q79 HydrophobicContact CE2-CG 4.47Å; F75-Q79 HydrophobicContact CZ-CG 4.3Å; F75-Q79 WeakPolarHBondContact O-CG 3.32Å; F75-Q79 PolarHBondContact O-N 3.29Å |
| 76 | E | 98.2 | Very high | 97.9 | Very high | 112 Ų | 112 | 102 Ų | 102 | 52% | 0.523 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 174.8 | -177.1 | 174.2 | -166.4 | 0 | 0 | 111.6 | M72 L73 R74 E78 Q79 L80 | M72-E76 PolarHBondContact O-N 2.96Å; L73-E76 PolarHBondContact O-N 2.73Å; R74-E76 PolarHBondContact O-N 3.29Å; E76-E78 PolarHBondContact O-N 3.31Å; E76-Q79 WeakPolarHBondContact O-CB 3.37Å; E76-Q79 PolarHBondContact O-N 3.03Å; E76-L80 HydrophobicContact CG-CD1 4.31Å; E76-L80 WeakPolarHBondContact O-CG 3.24Å; E76-L80 PolarHBondContact O-N 2.9Å |
| 77 | K | 98.4 | Very high | 97.9 | Very high | 134 Ų | 134 | 103.2 Ų | 103.2 | 58% | 0.583 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -57.5 | -48.7 | 173.9 | -176.7 | -174 | 174.7 | -174.8 | 0 | 111.3 | L73 R74 Q79 L80 D81 | L73-K77 WeakPolarHBondContact O-CB 3.29Å; L73-K77 PolarHBondContact O-N 3.44Å; R74-K77 WeakPolarHBondContact O-CB 3.37Å; R74-K77 PolarHBondContact O-N 3.01Å; K77-Q79 VanDerWaalsContact C-N 3.31Å; K77-Q79 PolarHBondContact O-N 3.49Å; K77-L80 WeakPolarHBondContact O-CB 3.46Å; K77-L80 PolarHBondContact O-N 3.15Å; K77-L80 VanDerWaalsContact O-N 3.11Å; K77-D81 PolarHBondContact O-N 2.7Å |
| 78 | E | 98.3 | Very high | 97.8 | Very high | 115 Ų | 115 | 103.3 Ų | 103.3 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.5 | -38.2 | 177.9 | -73.3 | 168.7 | -169.3 | 0 | 0 | 112.5 | R74 F75 E76 S82 | R74-E78 WeakPolarHBondContact O-CG 3.42Å; R74-E78 PolarHBondContact O-N 2.77Å; F75-E78 PolarHBondContact O-N 2.97Å; E76-E78 PolarHBondContact O-N 3.31Å; E78-S82 WeakPolarHBondContact O-CB 3.5Å; E78-S82 PolarHBondContact O-N 3.31Å; E78-S82 PolarHBondContact O-OG 2.94Å |
| 79 | Q | 98 | Very high | 97.7 | Very high | 71 Ų | 71 | 105.1 Ų | 105.1 | 33% | 0.332 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | 173.1 | -77.5 | -166.3 | 39.5 | 0 | 0 | 112.2 | F75 E76 K77 S82 R83 | F75-Q79 HydrophobicContact CE1-CG 4.46Å; F75-Q79 HydrophobicContact CE2-CG 4.47Å; F75-Q79 HydrophobicContact CZ-CG 4.3Å; F75-Q79 WeakPolarHBondContact O-CG 3.32Å; F75-Q79 PolarHBondContact O-N 3.29Å; E76-Q79 WeakPolarHBondContact O-CB 3.37Å; E76-Q79 PolarHBondContact O-N 3.03Å; K77-Q79 VanDerWaalsContact C-N 3.31Å; K77-Q79 PolarHBondContact O-N 3.49Å; Q79-S82 PolarHBondContact O-N 3.31Å; Q79-R83 VanDerWaalsContact O-CG 3.26Å; Q79-R83 WeakPolarHBondContact O-CG 3.41Å; Q79-R83 PolarHBondContact O-N 2.96Å |
| 80 | L | 97.8 | Very high | 97.5 | Very high | 91 Ų | 91 | 108.8 Ų | 108.8 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 178.2 | -70.8 | 171.2 | 0 | 0 | 0 | 111.2 | E76 K77 S82 R83 L84 | E76-L80 HydrophobicContact CG-CD1 4.31Å; E76-L80 WeakPolarHBondContact O-CG 3.24Å; E76-L80 PolarHBondContact O-N 2.9Å; K77-L80 WeakPolarHBondContact O-CB 3.46Å; K77-L80 PolarHBondContact O-N 3.15Å; K77-L80 VanDerWaalsContact O-N 3.11Å; L80-S82 PolarHBondContact O-N 3.09Å; L80-R83 WeakPolarHBondContact O-CB 3.45Å; L80-R83 PolarHBondContact O-N 3.47Å; L80-L84 WeakPolarHBondContact O-CB 3.45Å; L80-L84 PolarHBondContact O-N 2.89Å |
| 81 | D | 97.9 | Very high | 97.4 | Very high | 76 Ų | 76 | 108.3 Ų | 108.3 | 41% | 0.406 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 177 | -70.4 | -20.5 | 0 | 0 | 0 | 111.1 | K77 R83 L84 L85 | K77-D81 PolarHBondContact O-N 2.7Å; D81-R83 VanDerWaalsContact C-N 3.34Å; D81-R83 PolarHBondContact O-N 3.45Å; D81-L84 PolarHBondContact O-N 3.44Å; D81-L85 WeakPolarHBondContact O-CG 3.36Å; D81-L85 PolarHBondContact O-N 3.35Å |
| 82 | S | 97.3 | Very high | 97.2 | Very high | 77 Ų | 77 | 109 Ų | 109 | 54% | 0.538 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 174.8 | -60.1 | 0 | 0 | 0 | 0 | 112.2 | E78 Q79 L80 S86 | E78-S82 WeakPolarHBondContact O-CB 3.5Å; E78-S82 PolarHBondContact O-N 3.31Å; E78-S82 PolarHBondContact O-OG 2.94Å; Q79-S82 PolarHBondContact O-N 3.31Å; L80-S82 PolarHBondContact O-N 3.09Å; S82-S86 PolarHBondContact O-N 3.3Å; S82-S86 VanDerWaalsContact O-N 3.09Å |
| 83 | R | 97.9 | Very high | 96.9 | Very high | 139 Ų | 139 | 106.9 Ų | 106.9 | 53% | 0.525 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.1 | -48.3 | 175 | -71.3 | 172 | -164.2 | 179.8 | 8.4 | 110.5 | Q79 L80 D81 L85 S86 L87 | Q79-R83 VanDerWaalsContact O-CG 3.26Å; Q79-R83 WeakPolarHBondContact O-CG 3.41Å; Q79-R83 PolarHBondContact O-N 2.96Å; L80-R83 WeakPolarHBondContact O-CB 3.45Å; L80-R83 PolarHBondContact O-N 3.47Å; D81-R83 VanDerWaalsContact C-N 3.34Å; D81-R83 PolarHBondContact O-N 3.45Å; R83-L85 VanDerWaalsContact C-N 3.32Å; R83-L85 PolarHBondContact O-N 2.74Å; R83-S86 PolarHBondContact O-N 3.42Å; R83-S86 VanDerWaalsContact O-N 3.14Å; R83-S86 PolarHBondContact O-OG 2.96Å; R83-L87 WeakPolarHBondContact O-CD1 3.28Å; R83-L87 PolarHBondContact O-N 2.74Å |
| 84 | L | 97.6 | Very high | 96.4 | Very high | 101 Ų | 101 | 107.4 Ų | 107.4 | 53% | 0.529 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -54.9 | -48.1 | 177.9 | -175.6 | 74.7 | 0 | 0 | 0 | 111.1 | L80 D81 S86 L87 L88 | L80-L84 WeakPolarHBondContact O-CB 3.45Å; L80-L84 PolarHBondContact O-N 2.89Å; D81-L84 PolarHBondContact O-N 3.44Å; L84-S86 PolarHBondContact O-N 2.98Å; L84-L87 PolarHBondContact O-N 2.93Å; L84-L88 HydrophobicContact CG-CD1 4.19Å; L84-L88 WeakPolarHBondContact O-CG 3.22Å; L84-L88 PolarHBondContact O-N 3.41Å |
| 85 | L | 97.7 | Very high | 96 | Very high | 107 Ų | 107 | 103.8 Ų | 103.8 | 56% | 0.56 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.2 | -44.8 | 177.3 | -72 | 171.2 | 0 | 0 | 0 | 112.1 | D81 R83 L87 L88 Q89 | D81-L85 WeakPolarHBondContact O-CG 3.36Å; D81-L85 PolarHBondContact O-N 3.35Å; R83-L85 VanDerWaalsContact C-N 3.32Å; R83-L85 PolarHBondContact O-N 2.74Å; L85-L87 VanDerWaalsContact C-N 3.32Å; L85-L87 PolarHBondContact O-N 3.4Å; L85-L88 PolarHBondContact O-N 3.45Å; L85-Q89 WeakPolarHBondContact O-CG 3.27Å; L85-Q89 PolarHBondContact O-N 2.76Å |
| 86 | S | 96.4 | Very high | 95.1 | Very high | 52 Ų | 52 | 102.7 Ų | 102.7 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.7 | -38.1 | 177.2 | 77.1 | 0 | 0 | 0 | 0 | 112.6 | S82 R83 L84 R90 | S82-S86 PolarHBondContact O-N 3.3Å; S82-S86 VanDerWaalsContact O-N 3.09Å; R83-S86 PolarHBondContact O-N 3.42Å; R83-S86 VanDerWaalsContact O-N 3.14Å; R83-S86 PolarHBondContact O-OG 2.96Å; L84-S86 PolarHBondContact O-N 2.98Å; S86-R90 VanDerWaalsContact O-CG 3.32Å; S86-R90 WeakPolarHBondContact O-CG 3.43Å; S86-R90 PolarHBondContact O-N 3.24Å; S86-R90 VanDerWaalsContact O-N 3.11Å |
| 87 | L | 96.7 | Very high | 93.9 | Very high | 100 Ų | 100 | 107 Ų | 107 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.5 | -43.8 | 176.1 | -88.6 | 83.3 | 0 | 0 | 0 | 111.2 | R83 L84 L85 Q89 R90 V91 | R83-L87 WeakPolarHBondContact O-CD1 3.28Å; R83-L87 PolarHBondContact O-N 2.74Å; L84-L87 PolarHBondContact O-N 2.93Å; L85-L87 VanDerWaalsContact C-N 3.32Å; L85-L87 PolarHBondContact O-N 3.4Å; L87-Q89 VanDerWaalsContact C-N 3.32Å; L87-Q89 PolarHBondContact O-N 2.96Å; L87-R90 WeakPolarHBondContact O-CB 3.31Å; L87-R90 PolarHBondContact O-N 3.19Å; L87-R90 VanDerWaalsContact O-N 3.14Å; L87-V91 WeakPolarHBondContact O-CG2 3.27Å; L87-V91 PolarHBondContact O-N 2.85Å |
| 88 | L | 96.4 | Very high | 92.6 | Very high | 100 Ų | 100 | 104.4 Ų | 104.4 | 52% | 0.524 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 176.4 | -72.7 | 174.7 | 0 | 0 | 0 | 111.7 | L84 L85 R90 V91 K92 | L84-L88 HydrophobicContact CG-CD1 4.19Å; L84-L88 WeakPolarHBondContact O-CG 3.22Å; L84-L88 PolarHBondContact O-N 3.41Å; L85-L88 PolarHBondContact O-N 3.45Å; L88-R90 VanDerWaalsContact C-N 3.33Å; L88-R90 PolarHBondContact O-N 2.87Å; L88-V91 PolarHBondContact O-N 3.47Å; L88-K92 WeakPolarHBondContact O-CB 3.45Å; L88-K92 PolarHBondContact O-N 3.36Å |
| 89 | Q | 95.4 | Very high | 90.8 | Very high | 141 Ų | 141 | 104.3 Ų | 104.3 | 66% | 0.659 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.8 | -41.7 | 173.6 | -74.7 | 176.8 | -17.7 | 0 | 0 | 112 | L85 L87 K92 A93 | L85-Q89 WeakPolarHBondContact O-CG 3.27Å; L85-Q89 PolarHBondContact O-N 2.76Å; L87-Q89 VanDerWaalsContact C-N 3.32Å; L87-Q89 PolarHBondContact O-N 2.96Å; Q89-K92 PolarHBondContact O-N 3.48Å; Q89-A93 WeakPolarHBondContact O-CB 3.42Å; Q89-A93 PolarHBondContact O-N 3.44Å |
| 90 | R | 95.1 | Very high | 88.9 | Confident | 181 Ų | 181 | 108 Ų | 108 | 68% | 0.683 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.6 | -44.7 | 175.8 | -72 | 171.6 | 64.4 | 165.6 | 1.9 | 112.1 | S86 L87 L88 K92 A93 M94 | S86-R90 VanDerWaalsContact O-CG 3.32Å; S86-R90 WeakPolarHBondContact O-CG 3.43Å; S86-R90 PolarHBondContact O-N 3.24Å; S86-R90 VanDerWaalsContact O-N 3.11Å; L87-R90 WeakPolarHBondContact O-CB 3.31Å; L87-R90 PolarHBondContact O-N 3.19Å; L87-R90 VanDerWaalsContact O-N 3.14Å; L88-R90 VanDerWaalsContact C-N 3.33Å; L88-R90 PolarHBondContact O-N 2.87Å; R90-K92 VanDerWaalsContact C-N 3.35Å; R90-A93 PolarHBondContact O-N 2.95Å; R90-M94 WeakPolarHBondContact O-CG 3.27Å; R90-M94 PolarHBondContact O-N 2.94Å |
| 91 | V | 94.9 | Very high | 86.8 | Confident | 83 Ų | 83 | 106.4 Ų | 106.4 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61 | -45 | 175.8 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | L87 L88 A93 M94 C95 | L87-V91 WeakPolarHBondContact O-CG2 3.27Å; L87-V91 PolarHBondContact O-N 2.85Å; L88-V91 PolarHBondContact O-N 3.47Å; V91-A93 PolarHBondContact O-N 2.96Å; V91-M94 HydrophobicContact CG2-CE 4.29Å; V91-M94 PolarHBondContact O-N 3.3Å; V91-C95 PolarHBondContact O-N 3.49Å |
| 92 | K | 94.1 | Very high | 84.6 | Confident | 140 Ų | 140 | 105 Ų | 105 | 61% | 0.609 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -60.4 | -42.8 | 176.3 | -175.3 | 166.4 | -176.3 | 158.6 | 0 | 112.3 | L88 Q89 R90 M94 C95 N96 | L88-K92 WeakPolarHBondContact O-CB 3.45Å; L88-K92 PolarHBondContact O-N 3.36Å; Q89-K92 PolarHBondContact O-N 3.48Å; R90-K92 VanDerWaalsContact C-N 3.35Å; K92-M94 PolarHBondContact O-N 3.37Å; K92-C95 PolarHBondContact O-N 3.19Å; K92-N96 PolarHBondContact O-N 3.47Å; K92-N96 PolarHBondContact O-OD1 3.47Å |
| 93 | A | 91.9 | Very high | 82.4 | Confident | 61 Ų | 61 | 110 Ų | 110 | 50% | 0.504 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.4 | -37.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q89 R90 V91 R97 | Q89-A93 WeakPolarHBondContact O-CB 3.42Å; Q89-A93 PolarHBondContact O-N 3.44Å; R90-A93 PolarHBondContact O-N 2.95Å; V91-A93 PolarHBondContact O-N 2.96Å; A93-R97 PolarHBondContact O-N 2.89Å |
| 94 | M | 88 | Confident | 80.1 | Confident | 123 Ų | 123 | 112 Ų | 112 | 61% | 0.606 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.4 | -43.2 | 174.5 | -68.4 | -171.8 | -57.8 | 0 | 0 | 111.8 | R90 V91 K92 R97 S98 | R90-M94 WeakPolarHBondContact O-CG 3.27Å; R90-M94 PolarHBondContact O-N 2.94Å; V91-M94 HydrophobicContact CG2-CE 4.29Å; V91-M94 PolarHBondContact O-N 3.3Å; K92-M94 PolarHBondContact O-N 3.37Å; M94-R97 PolarHBondContact O-N 3.12Å; M94-S98 PolarHBondContact O-N 2.89Å; M94-S98 VanDerWaalsContact O-N 3.12Å; M94-S98 PolarHBondContact O-OG 2.87Å |
| 95 | C | 89.2 | Confident | 78 | Confident | 67 Ų | 67 | 113 Ų | 113 | 45% | 0.453 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -59 | -50.5 | 175.9 | -165.6 | 0 | 0 | 0 | 0 | 111.6 | V91 K92 R97 S98 D99 | V91-C95 PolarHBondContact O-N 3.49Å; K92-C95 PolarHBondContact O-N 3.19Å; C95-R97 PolarHBondContact O-N 3.02Å; C95-R97 VanDerWaalsContact O-N 3.13Å; C95-S98 WeakPolarHBondContact O-CB 3.2Å; C95-S98 PolarHBondContact O-N 3.46Å; C95-D99 PolarHBondContact O-N 3.33Å; C95-D99 VanDerWaalsContact O-N 3.12Å |
| 96 | N | 79.6 | Confident | 75.4 | Confident | 85 Ų | 85 | 114.8 Ų | 114.8 | 46% | 0.455 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -59.4 | -28.7 | 179 | -65.4 | -6 | 0 | 0 | 0 | 112.9 | K92 I100 | K92-N96 PolarHBondContact O-N 3.47Å; K92-N96 PolarHBondContact O-OD1 3.47Å; N96-I100 WeakPolarHBondContact O-CG1 3.44Å |
| 97 | R | 73.5 | Confident | 73.3 | Confident | 204 Ų | 204 | 116.1 Ų | 116.1 | 77% | 0.77 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -77.7 | -35.7 | 177.2 | -160.6 | 175.8 | -158.3 | -95.7 | 1 | 112.1 | A93 M94 C95 D99 I100 G101 | A93-R97 PolarHBondContact O-N 2.89Å; M94-R97 PolarHBondContact O-N 3.12Å; C95-R97 PolarHBondContact O-N 3.02Å; C95-R97 VanDerWaalsContact O-N 3.13Å; R97-D99 VanDerWaalsContact C-N 3.31Å; R97-I100 PolarHBondContact O-N 3.26Å; R97-G101 PolarHBondContact O-N 3.08Å |
| 98 | S | 70.3 | Confident | 71.2 | Confident | 79 Ų | 79 | 118.8 Ų | 118.8 | 55% | 0.552 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -66.1 | -35.1 | 175.3 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | M94 C95 I100 G101 G102 | M94-S98 PolarHBondContact O-N 2.89Å; M94-S98 VanDerWaalsContact O-N 3.12Å; M94-S98 PolarHBondContact O-OG 2.87Å; C95-S98 WeakPolarHBondContact O-CB 3.2Å; C95-S98 PolarHBondContact O-N 3.46Å; S98-I100 VanDerWaalsContact C-N 3.31Å; S98-I100 PolarHBondContact O-N 2.86Å; S98-G101 PolarHBondContact O-N 2.91Å; S98-G102 PolarHBondContact O-N 3.47Å |
| 99 | D | 60.8 | Low | 69.1 | Low | 113 Ų | 113 | 117.3 Ų | 117.3 | 60% | 0.604 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71.4 | -24.4 | 178.2 | -62.9 | -36.1 | 0 | 0 | 0 | 113.1 | C95 R97 | C95-D99 PolarHBondContact O-N 3.33Å; C95-D99 VanDerWaalsContact O-N 3.12Å; R97-D99 VanDerWaalsContact C-N 3.31Å |
| 100 | I | 58.9 | Low | 67 | Low | 148 Ų | 148 | 116.8 Ų | 116.8 | 76% | 0.759 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -90.3 | -29.1 | 176 | -60.1 | 172.3 | 0 | 0 | 0 | 111.6 | N96 R97 S98 | N96-I100 WeakPolarHBondContact O-CG1 3.44Å; R97-I100 PolarHBondContact O-N 3.26Å; S98-I100 VanDerWaalsContact C-N 3.31Å; S98-I100 PolarHBondContact O-N 2.86Å |
| 101 | G | 54.4 | Low | 64.9 | Low | 58 Ų | 58 | 117.5 Ų | 117.5 | 60% | 0.598 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -93.9 | -15 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | R97 S98 M103 | R97-G101 PolarHBondContact O-N 3.08Å; S98-G101 PolarHBondContact O-N 2.91Å; G101-M103 VanDerWaalsContact C-N 3.33Å |
| 102 | G | 51.6 | Low | 62.8 | Low | 47 Ų | 47 | 120 Ų | 120 | 49% | 0.485 | 68% | 0.681 | S | S | . | * | S | Bend | trans | -80.5 | -7.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S98 M104 | S98-G102 PolarHBondContact O-N 3.47Å; G102-M104 PolarHBondContact O-N 3.49Å; G102-M104 VanDerWaalsContact O-N 3.12Å |
| 103 | M | 49.9 | Very low | 60.6 | Low | 181 Ų | 181 | 118.8 Ų | 118.8 | 89% | 0.892 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | 30.8 | -179.4 | -138.5 | 147.6 | 72 | 0 | 0 | 113.2 | G101 | G101-M103 VanDerWaalsContact C-N 3.33Š|
| 104 | M | 50.8 | Low | 58.5 | Low | 180 Ų | 180 | 121.1 Ų | 121.1 | 89% | 0.887 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | 22.4 | 175.9 | -140 | -179.3 | -164.3 | 0 | 0 | 112.7 | G102 | G102-M104 PolarHBondContact O-N 3.49Å; G102-M104 VanDerWaalsContact O-N 3.12Å |
| 105 | T | 53.2 | Low | 56.4 | Low | 123 Ų | 123 | 119.2 Ų | 119.2 | 76% | 0.755 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -103.7 | 121.4 | 164.7 | 56.2 | 0 | 0 | 0 | 0 | 109.6 | A107 | T105-A107 PolarHBondContact O-N 3.23Š|
| 106 | T | 42 | Very low | 54.2 | Low | 145 Ų | 145 | 125.7 Ų | 125.7 | 89% | 0.89 | 72% | 0.718 | S | S | * | * | trans | -56.2 | 108.2 | 178.5 | 48.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 107 | A | 52.7 | Low | 52.4 | Low | 80 Ų | 80 | 130 Ų | 130 | 66% | 0.661 | 74% | 0.74 | S | S | * | * | trans | -176.5 | 89.9 | 153.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | T105 G109 | T105-A107 PolarHBondContact O-N 3.23Å; A107-G109 PolarHBondContact O-N 3.36Å | ||
| 108 | T | 52.9 | Low | 51.1 | Low | 155 Ų | 155 | 127.9 Ų | 127.9 | 95% | 0.951 | 74% | 0.739 | S | S | * | * | 22.8 | 97.4 | 106.6 | -2.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 109 | G | 51.6 | Low | 49.4 | Very low | 70 Ų | 70 | 130.7 Ų | 130.7 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | trans | 118.9 | 125.7 | 145.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | A107 | A107-G109 PolarHBondContact O-N 3.36Š| ||
| 110 | N | 51.9 | Low | 48.4 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | trans | 91.7 | 91 | 142.7 | -135.8 | 49.6 | 0 | 0 | 0 | 115.9 | ||||
| 111 | R | 51.4 | Low | 47.3 | Very low | 197 Ų | 197 | 136.7 Ų | 136.7 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | 83.6 | 118.9 | 78.6 | -83.9 | -167.8 | -77.7 | -155.5 | -4 | 113.9 | |||||
| 112 | N | 50.1 | Low | 46.3 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | 68.8 | 113.2 | 142.1 | -47.4 | -5.7 | 0 | 0 | 0 | 114.9 | ||||
| 113 | S | 47.6 | Very low | 45.6 | Very low | 114 Ų | 114 | 148.1 Ų | 148.1 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | -174 | 117.4 | 84.3 | -63.2 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 114 | S | 49.2 | Very low | 45.3 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | 56.3 | 109.8 | 84.5 | -165.1 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 115 | S | 42.9 | Very low | 45 | Very low | 82 Ų | 82 | 143.1 Ų | 143.1 | 57% | 0.573 | 76% | 0.762 | S | S | * | * | trans | 98.3 | 135 | 131 | 70.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 116 | Y | 43.7 | Very low | 44.2 | Very low | 203 Ų | 203 | 142.5 Ų | 142.5 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | 88.9 | 90.3 | 159.2 | -49 | -67.5 | 0 | 0 | 0 | 118.6 | ||||
| 117 | L | 40.9 | Very low | 44.6 | Very low | 177 Ų | 177 | 143.2 Ų | 143.2 | 93% | 0.927 | 76% | 0.76 | S | S | * | * | trans | -73.6 | 107.5 | 148 | -70.9 | 170.9 | 0 | 0 | 0 | 107.7 | ||||
| 118 | E | 45.4 | Very low | 44.2 | Very low | 158 Ų | 158 | 144.1 Ų | 144.1 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | -170.7 | 104.6 | 165.5 | -107.7 | 164.3 | 173.5 | 0 | 0 | 105.6 | ||||
| 119 | E | 36.3 | Very low | 43.6 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | 96.5 | 131.3 | 96 | 180 | 155.8 | 152.8 | 0 | 0 | 111.4 | |||||
| 120 | R | 39.4 | Very low | 43.5 | Very low | 208 Ų | 208 | 146 Ų | 146 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | 89.9 | 102.6 | 166.9 | -44.2 | -142.5 | 168.5 | 161.6 | -0.4 | 116.7 | ||||
| 121 | E | 34.7 | Very low | 43 | Very low | 179 Ų | 179 | 148.7 Ų | 148.7 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | 71.6 | 123.5 | 79.1 | -168.8 | 100.5 | -146.4 | 0 | 0 | 112.1 | |||||
| 122 | S | 35 | Very low | 42.6 | Very low | 102 Ų | 102 | 147.3 Ų | 147.3 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | trans | 103.8 | 96.2 | 157.3 | -42.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 123 | R | 36.9 | Very low | 42.4 | Very low | 242 Ų | 242 | 151.1 Ų | 151.1 | 91% | 0.913 | 78% | 0.775 | S | S | * | * | trans | 65 | 175.5 | 141.4 | -102.2 | -165.8 | -179.5 | -166.4 | 1.9 | 118.1 | ||||
| 124 | P | 42.6 | Very low | 42.2 | Very low | 88 Ų | 88 | 151.6 Ų | 151.6 | 57% | 0.571 | 78% | 0.775 | S | S | * | * | -122.1 | -171.1 | -51.2 | 28.3 | -8.2 | 0 | 0 | 0 | 109 | |||||
| 125 | Q | 45.2 | Very low | 42.3 | Very low | 169 Ų | 169 | 154.3 Ų | 154.3 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | 154.6 | 116.4 | 129.1 | -79.1 | 167.5 | 35.6 | 0 | 0 | 112.9 | |||||
| 126 | S | 35.6 | Very low | 42.5 | Very low | 110 Ų | 110 | 156.1 Ų | 156.1 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -34.8 | 129.6 | 154.7 | 49.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 127 | L | 50 | Low | 42.8 | Very low | 159 Ų | 159 | 154.1 Ų | 154.1 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -146.1 | 82.3 | 155.2 | -88.1 | 152.3 | 0 | 0 | 0 | 106.2 | ||||
| 128 | S | 45.1 | Very low | 44.1 | Very low | 100 Ų | 100 | 151.1 Ų | 151.1 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | 53.9 | 115.8 | 100.3 | 70.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 129 | S | 40.8 | Very low | 44.9 | Very low | 114 Ų | 114 | 152 Ų | 152 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | 74.1 | 80.3 | 149.5 | -167 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 130 | V | 49 | Very low | 46.2 | Very low | 151 Ų | 151 | 151.3 Ų | 151.3 | 92% | 0.915 | 79% | 0.792 | S | S | * | * | trans | -134.4 | 127.9 | 141 | 178.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 131 | K | 41.3 | Very low | 46.6 | Very low | 184 Ų | 184 | 149.9 Ų | 149.9 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -86 | 139 | -170.3 | 179.9 | 173.2 | -175.4 | 172.5 | 0 | 110 | ||||
| 132 | Q | 43.7 | Very low | 47.4 | Very low | 169 Ų | 169 | 144.7 Ų | 144.7 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | 137.8 | 137.7 | 153.2 | -77.4 | 162 | 6.6 | 0 | 0 | 110.6 | ||||
| 133 | R | 46.1 | Very low | 47.9 | Very low | 216 Ų | 216 | 149.1 Ų | 149.1 | 82% | 0.815 | 80% | 0.795 | S | S | * | * | cis | -164.9 | 156.4 | -16.1 | -100.6 | -171.1 | -146.4 | -135.3 | 6.1 | 104 | ||||
| 134 | P | 41.9 | Very low | 48.7 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 138.3 | -159.1 | 32.1 | -33.2 | 0 | 0 | 0 | 112.6 | ||
| 135 | L | 50.8 | Low | 49 | Very low | 168 Ų | 168 | 146 Ų | 146 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 124.4 | 166.5 | -68 | -174 | 0 | 0 | 0 | 110.1 | ||
| 136 | C | 47.1 | Very low | 49.1 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -49 | 129 | -173.1 | -174.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 137 | M | 51.9 | Low | 50 | Low | 161 Ų | 161 | 146.7 Ų | 146.7 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 136.2 | 160.6 | -71.8 | -71 | 146.2 | 0 | 0 | 108.8 | K139 | M137-K139 PolarHBondContact O-N 3.24Š|
| 138 | P | 66.7 | Low | 50.2 | Low | 114 Ų | 114 | 144 Ų | 144 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 128.5 | 175.3 | 29.3 | -31 | 0 | 0 | 0 | 109.8 | ||
| 139 | K | 62.2 | Low | 50.4 | Low | 176 Ų | 176 | 146.7 Ų | 146.7 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 138.3 | 169.7 | -86.3 | 174.3 | 175.4 | 162.7 | 0 | 110 | M137 E141 | M137-K139 PolarHBondContact O-N 3.24Å; K139-E141 PolarHBondContact O-N 2.97Å |
| 140 | P | 63.6 | Low | 51.1 | Low | 125 Ų | 125 | 150.4 Ų | 150.4 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -77.6 | 114.6 | 159.4 | 30.5 | -28.4 | 0 | 0 | 0 | 108.9 | G142 | P140-G142 PolarHBondContact O-N 3.28Š| ||
| 141 | E | 48.3 | Very low | 51.2 | Low | 178 Ų | 178 | 147.2 Ų | 147.2 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -71.1 | 118.6 | 166.6 | -62.6 | -64 | 156.9 | 0 | 0 | 108.6 | K139 | K139-E141 PolarHBondContact O-N 2.97Š| ||
| 142 | G | 52 | Low | 51.8 | Low | 70 Ų | 70 | 146.2 Ų | 146.2 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | 151.9 | 86.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | P140 | P140-G142 PolarHBondContact O-N 3.28Š| ||
| 143 | F | 45.3 | Very low | 52.3 | Low | 194 Ų | 194 | 146.8 Ų | 146.8 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | 47.3 | 113.2 | 136.4 | -133.1 | -108.3 | 0 | 0 | 0 | 119.3 | ||||
| 144 | L | 52.8 | Low | 52.1 | Low | 153 Ų | 153 | 141.4 Ų | 141.4 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | 164.7 | 151 | 124 | -82 | 175.8 | 0 | 0 | 0 | 112.2 | |||||
| 145 | P | 49 | Very low | 52.8 | Low | 111 Ų | 111 | 143 Ų | 143 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | trans | -94.7 | 151.4 | -150.1 | 36.3 | -34.6 | 0 | 0 | 0 | 116.6 | ||||
| 146 | A | 47.7 | Very low | 52.3 | Low | 89 Ų | 89 | 141.4 Ų | 141.4 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | 3.6 | 116.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 147 | F | 55.7 | Low | 52.8 | Low | 205 Ų | 205 | 140.8 Ų | 140.8 | 90% | 0.899 | 78% | 0.775 | S | S | * | * | trans | -147.1 | 149.8 | 142.6 | -77.6 | -69.7 | 0 | 0 | 0 | 111.6 | ||||
| 148 | P | 53.2 | Low | 52.6 | Low | 102 Ų | 102 | 142.1 Ų | 142.1 | 66% | 0.662 | 77% | 0.772 | S | S | * | * | trans | -91.9 | 137 | -152.6 | 34.7 | -33.8 | 0 | 0 | 0 | 115.6 | ||||
| 149 | M | 48.5 | Very low | 51.8 | Low | 157 Ų | 157 | 143.9 Ų | 143.9 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | 26.1 | 108.1 | 135.5 | -125.5 | -76.2 | -172.1 | 0 | 0 | 118.5 | P151 | M149-P151 HydrophobicContact SD-CG 4.45Š| ||
| 150 | F | 56.6 | Low | 51.4 | Low | 193 Ų | 193 | 145.8 Ų | 145.8 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -137.8 | 125.2 | 149.2 | -77.5 | -73.4 | 0 | 0 | 0 | 110.8 | ||||
| 151 | P | 50 | Low | 51.3 | Low | 83 Ų | 83 | 145.4 Ų | 145.4 | 54% | 0.539 | 77% | 0.774 | S | S | . | * | trans | -92.6 | 126.4 | -177.4 | 34.5 | -28.5 | 0 | 0 | 0 | 110.5 | M149 | M149-P151 HydrophobicContact SD-CG 4.45Š| ||
| 152 | L | 55.3 | Low | 51.4 | Low | 163 Ų | 163 | 143.5 Ų | 143.5 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -114.4 | 98.8 | 162.7 | -67.8 | 172.8 | 0 | 0 | 0 | 106.5 | ||||
| 153 | F | 53.3 | Low | 51.2 | Low | 182 Ų | 182 | 148 Ų | 148 | 80% | 0.798 | 77% | 0.774 | S | S | * | * | 45.2 | 86.6 | 99.4 | -74 | -79 | 0 | 0 | 0 | 110 | |||||
| 154 | S | 42.7 | Very low | 51.4 | Low | 103 Ų | 103 | 147.6 Ų | 147.6 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | 50.7 | 102.1 | 94.4 | -167.9 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 155 | I | 55.6 | Low | 51.4 | Low | 157 Ų | 157 | 148.7 Ų | 148.7 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | -175.8 | 110 | 129 | -78.8 | 138.7 | 0 | 0 | 0 | 106.9 | |||||
| 156 | C | 40.8 | Very low | 51.3 | Low | 133 Ų | 133 | 151.2 Ų | 151.2 | 90% | 0.899 | 79% | 0.79 | S | S | * | * | trans | -122.6 | 130.3 | 151.8 | -78.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 157 | P | 57 | Low | 51.3 | Low | 108 Ų | 108 | 151.5 Ų | 151.5 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | -136.7 | 119.9 | 129 | 31.6 | -16.5 | 0 | 0 | 0 | 110 | |||||
| 158 | Y | 47.3 | Very low | 51.2 | Low | 188 Ų | 188 | 146.4 Ų | 146.4 | 74% | 0.737 | 78% | 0.782 | S | S | * | * | 62.4 | 118.7 | 88 | -163.1 | -104.1 | 0 | 0 | 0 | 113.9 | |||||
| 159 | M | 49.9 | Very low | 51.2 | Low | 152 Ų | 152 | 148.9 Ų | 148.9 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | 172 | 112.3 | 128.4 | -92.3 | -61.9 | 174.9 | 0 | 0 | 111.2 | |||||
| 160 | Y | 55.4 | Low | 50.9 | Low | 216 Ų | 216 | 145.8 Ų | 145.8 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | trans | -112.2 | 118.9 | 165.6 | -133.1 | -88.7 | 0 | 0 | 0 | 106.9 | ||||
| 161 | P | 59.9 | Low | 50.7 | Low | 117 Ų | 117 | 145.5 Ų | 145.5 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | trans | -78.1 | 131.8 | 170.7 | -10.5 | 26.7 | 0 | 0 | 0 | 110.8 | ||||
| 162 | D | 51.7 | Low | 50.3 | Low | 137 Ų | 137 | 149.3 Ų | 149.3 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | trans | -60.6 | 140.1 | 179.2 | -83.5 | -58.4 | 0 | 0 | 0 | 115 | ||||
| 163 | M | 47.7 | Very low | 50 | Low | 166 Ų | 166 | 147.4 Ų | 147.4 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | 37.1 | 106.7 | 123.8 | -48.5 | -157 | 179.4 | 0 | 0 | 119.5 | |||||
| 164 | M | 49.9 | Very low | 49.5 | Very low | 185 Ų | 185 | 146.6 Ų | 146.6 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | trans | -160.1 | 91.4 | 141.5 | -75.8 | -143 | 90.4 | 0 | 0 | 110.2 | ||||
| 165 | L | 52.9 | Low | 49.5 | Very low | 175 Ų | 175 | 144.6 Ų | 144.6 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | trans | 179.9 | 89.6 | 154.1 | -102.5 | 147.9 | 0 | 0 | 0 | 109.2 | ||||
| 166 | N | 46.9 | Very low | 49.2 | Very low | 164 Ų | 164 | 147.3 Ų | 147.3 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -136.4 | 102.4 | 141.8 | -152.3 | 4.6 | 0 | 0 | 0 | 110.9 | ||||
| 167 | S | 48 | Very low | 49.8 | Very low | 96 Ų | 96 | 144.6 Ų | 144.6 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | trans | -23.9 | 119.1 | 166 | -168.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 168 | A | 52.9 | Low | 49.1 | Very low | 97 Ų | 97 | 146.6 Ų | 146.6 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | -76.9 | 112.5 | 145.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 169 | N | 52.3 | Low | 49.1 | Very low | 154 Ų | 154 | 144 Ų | 144 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | -156.7 | 111.3 | 138.4 | -139.4 | -28.9 | 0 | 0 | 0 | 111.4 | ||||
| 170 | S | 43.3 | Very low | 48.6 | Very low | 92 Ų | 92 | 141.1 Ų | 141.1 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | trans | -85.4 | 154.8 | 168.4 | -173.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 171 | K | 51.2 | Low | 47.8 | Very low | 188 Ų | 188 | 139.4 Ų | 139.4 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | trans | 113.5 | 100.4 | 153.6 | -57.9 | 163.4 | -172.6 | -176.6 | 0 | 116.4 | ||||
| 172 | H | 43.4 | Very low | 46.7 | Very low | 162 Ų | 162 | 138.6 Ų | 138.6 | 75% | 0.75 | 78% | 0.775 | S | S | * | * | 68.2 | 140.7 | 110.3 | -143.7 | -125 | 0 | 0 | 0 | 120.3 | |||||
| 173 | M | 48.2 | Very low | 46.4 | Very low | 123 Ų | 123 | 139 Ų | 139 | 61% | 0.606 | 77% | 0.772 | S | S | * | * | trans | 94.6 | 98.1 | 161.8 | -50.2 | -79.4 | 64.5 | 0 | 0 | 115.9 | ||||
| 174 | L | 43.7 | Very low | 46 | Very low | 165 Ų | 165 | 142 Ų | 142 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | 63.8 | 115.8 | 89.6 | -122.8 | 88.1 | 0 | 0 | 0 | 113.3 | |||||
| 175 | G | 41.7 | Very low | 45.5 | Very low | 62 Ų | 62 | 139.5 Ų | 139.5 | 64% | 0.639 | 77% | 0.77 | S | S | * | * | trans | 137.2 | 111.9 | 143.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 176 | K | 49.2 | Very low | 45.1 | Very low | 213 Ų | 213 | 136.3 Ų | 136.3 | 93% | 0.926 | 76% | 0.76 | S | S | * | * | trans | 78.8 | 144.4 | 144.9 | -55.1 | 170.6 | 178.7 | 176.5 | 0 | 115.8 | ||||
| 177 | A | 53.8 | Low | 45 | Very low | 77 Ų | 77 | 134.8 Ų | 134.8 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | cis | -174.1 | 147.3 | -15.5 | 0 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 178 | D | 42 | Very low | 44.6 | Very low | 149 Ų | 149 | 134.9 Ų | 134.9 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | trans | 25 | 126.9 | 142.1 | -53.4 | -53.3 | 0 | 0 | 0 | 119.7 | ||||
| 179 | V | 48.1 | Very low | 44.3 | Very low | 134 Ų | 134 | 137.4 Ų | 137.4 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | 175.2 | 118.9 | 99.9 | 160.7 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 180 | A | 39.6 | Very low | 44.1 | Very low | 91 Ų | 91 | 135.6 Ų | 135.6 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | trans | -69 | 140 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 181 | F | 37.3 | Very low | 44.2 | Very low | 180 Ų | 180 | 137.1 Ų | 137.1 | 79% | 0.789 | 76% | 0.757 | S | S | * | * | trans | -150.1 | 103.1 | 150 | -157.1 | -110.7 | 0 | 0 | 0 | 111.2 | H183 | F181-H183 HydrophobicContact CE1-CB 4Å; F181-H183 AromaticContact CE1-CD2 3.77Å; F181-H183 AromaticContact CE2-CD2 3.91Å; F181-H183 AromaticContact CZ-CD2 3.43Å; F181-H183 VanDerWaalsContact CZ-CD2 3.43Å; F181-H183 WeakPolarHBondContact CZ-CD2 3.2Å | ||
| 182 | S | 37.2 | Very low | 44.2 | Very low | 100 Ų | 100 | 134.6 Ų | 134.6 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | trans | -59 | 146.5 | 154.9 | -146.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 183 | H | 46.1 | Very low | 44.5 | Very low | 145 Ų | 145 | 131.1 Ų | 131.1 | 67% | 0.671 | 76% | 0.757 | S | S | * | * | trans | 168.6 | 124.9 | 138 | -91.7 | -74.9 | 0 | 0 | 0 | 111.1 | F181 | F181-H183 HydrophobicContact CE1-CB 4Å; F181-H183 AromaticContact CE1-CD2 3.77Å; F181-H183 AromaticContact CE2-CD2 3.91Å; F181-H183 AromaticContact CZ-CD2 3.43Å; F181-H183 VanDerWaalsContact CZ-CD2 3.43Å; F181-H183 WeakPolarHBondContact CZ-CD2 3.2Å | ||
| 184 | R | 38.3 | Very low | 45 | Very low | 230 Ų | 230 | 130.3 Ų | 130.3 | 87% | 0.868 | 76% | 0.76 | S | S | * | * | trans | -8.6 | 146.5 | 149.4 | -69.7 | 170.7 | 169.3 | 165.9 | -1.7 | 115.6 | ||||
| 185 | V | 39.9 | Very low | 45.1 | Very low | 133 Ų | 133 | 126.7 Ų | 126.7 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | -178.1 | 155.2 | 77.1 | 166.2 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 186 | P | 43.8 | Very low | 45.5 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | -104.9 | -169.9 | -162 | 32.9 | -16.4 | 0 | 0 | 0 | 115.3 | ||||
| 187 | V | 44.4 | Very low | 45.6 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | 112.3 | 118.2 | 152.5 | -173.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 188 | S | 39.4 | Very low | 44.9 | Very low | 98 Ų | 98 | 135 Ų | 135 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | 16.3 | 135.4 | 143.8 | -168.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 189 | I | 46.9 | Very low | 45.2 | Very low | 151 Ų | 151 | 132.8 Ų | 132.8 | 77% | 0.774 | 76% | 0.762 | S | S | * | * | 174.6 | 115.8 | 124 | -85.4 | 150.2 | 0 | 0 | 0 | 111 | |||||
| 190 | V | 47.6 | Very low | 45.1 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 70% | 0.703 | 76% | 0.758 | S | S | * | * | trans | 61.4 | 132 | 140.8 | -176.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 191 | P | 45.7 | Very low | 45.7 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 127.1 | 172.9 | 34.5 | -29.1 | 0 | 0 | 0 | 111.9 | ||
| 192 | T | 52.1 | Low | 46 | Very low | 135 Ų | 135 | 134.4 Ų | 134.4 | 83% | 0.828 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 122.6 | 171.3 | -52.2 | 0 | 0 | 0 | 0 | 109.5 | ||
| 193 | A | 50.3 | Low | 46.6 | Very low | 89 Ų | 89 | 134.3 Ų | 134.3 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 142.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 194 | P | 58.2 | Low | 47.1 | Very low | 105 Ų | 105 | 132 Ų | 132 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -86 | 131.9 | 169.7 | 32 | -29.4 | 0 | 0 | 0 | 111.4 | ||
| 195 | A | 45.1 | Very low | 47.9 | Very low | 89 Ų | 89 | 127.2 Ų | 127.2 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -66 | 127.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 196 | F | 49.6 | Very low | 49 | Very low | 193 Ų | 193 | 128.1 Ų | 128.1 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -104.3 | 107.1 | 165 | -85.5 | -82.3 | 0 | 0 | 0 | 109.4 | ||||
| 197 | N | 51.9 | Low | 49.2 | Very low | 165 Ų | 165 | 127.1 Ų | 127.1 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | trans | -66.9 | 130 | 173.7 | -84.4 | -54.7 | 0 | 0 | 0 | 110.8 | ||||
| 198 | F | 40.1 | Very low | 49.9 | Very low | 168 Ų | 168 | 127.7 Ų | 127.7 | 74% | 0.737 | 78% | 0.783 | S | S | * | * | trans | -86.6 | 118.5 | 175.2 | -151.7 | -76.7 | 0 | 0 | 0 | 108.9 | M200 | F198-M200 HydrophobicContact CD1-CE 3.73Å; F198-M200 HydrophobicContact CD1-CG 3.98Å; F198-M200 HydrophobicContact CE1-CE 3.19Å; F198-M200 HydrophobicContact CE1-CG 4.35Å; F198-M200 HydrophobicContact CZ-CE 3.99Å | ||
| 199 | C | 47.7 | Very low | 50.4 | Low | 104 Ų | 104 | 128.8 Ų | 128.8 | 70% | 0.703 | 79% | 0.788 | S | S | * | * | trans | -90.5 | 104.3 | 167.6 | -173.8 | 0 | 0 | 0 | 0 | 108.7 | H201 | C199-H201 PolarHBondContact SG-ND1 3.48Š| ||
| 200 | M | 46.5 | Very low | 50.9 | Low | 146 Ų | 146 | 128.7 Ų | 128.7 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | trans | -76.8 | 116.8 | 170.8 | -81 | -96.8 | 121.5 | 0 | 0 | 109.8 | F198 | F198-M200 HydrophobicContact CD1-CE 3.73Å; F198-M200 HydrophobicContact CD1-CG 3.98Å; F198-M200 HydrophobicContact CE1-CE 3.19Å; F198-M200 HydrophobicContact CE1-CG 4.35Å; F198-M200 HydrophobicContact CZ-CE 3.99Å | ||
| 201 | H | 51.2 | Low | 51 | Low | 172 Ų | 172 | 127.3 Ų | 127.3 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | -131.8 | 102.1 | 159.6 | -87.4 | 81.9 | 0 | 0 | 0 | 110.4 | C199 | C199-H201 PolarHBondContact SG-ND1 3.48Š| ||
| 202 | S | 44.4 | Very low | 51.6 | Low | 120 Ų | 120 | 126.1 Ų | 126.1 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | 18.1 | 122.8 | 145.1 | -160.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 203 | A | 50 | Low | 51.7 | Low | 98 Ų | 98 | 126.2 Ų | 126.2 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | -176.2 | 128.2 | 122.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 204 | A | 55.1 | Low | 52.2 | Low | 96 Ų | 96 | 127.7 Ų | 127.7 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 155.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 205 | P | 55.3 | Low | 52.2 | Low | 131 Ų | 131 | 128.5 Ų | 128.5 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 129 | 175.2 | 34.9 | -26.9 | 0 | 0 | 0 | 112.1 | ||
| 206 | T | 63 | Low | 52.9 | Low | 151 Ų | 151 | 129.4 Ų | 129.4 | 93% | 0.926 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 138.2 | 170.3 | -4.9 | 0 | 0 | 0 | 0 | 111.1 | ||
| 207 | A | 48.2 | Very low | 52.7 | Low | 87 Ų | 87 | 130 Ų | 130 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 155.8 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 208 | V | 59.9 | Low | 52.8 | Low | 144 Ų | 144 | 129.5 Ų | 129.5 | 87% | 0.873 | 77% | 0.774 | S | S | * | * | trans | -146.9 | 121.3 | 144.4 | -81.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 209 | P | 49.7 | Very low | 53.8 | Low | 120 Ų | 120 | 130 Ų | 130 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -112.1 | 131.4 | 161.4 | 33.8 | -21.8 | 0 | 0 | 0 | 110 | ||||
| 210 | V | 56.8 | Low | 54.3 | Low | 150 Ų | 150 | 135.8 Ų | 135.8 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -127.5 | 128.9 | 162.1 | 175.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 211 | S | 51.2 | Low | 54.7 | Low | 87 Ų | 87 | 135.3 Ų | 135.3 | 61% | 0.608 | 80% | 0.804 | S | S | * | * | trans | -74.7 | 165.7 | -172.8 | 166.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 212 | S | 56.3 | Low | 54.9 | Low | 99 Ų | 99 | 133.3 Ų | 133.3 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | trans | 95.3 | 139.5 | 147.9 | 75.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 213 | N | 54.6 | Low | 55.5 | Low | 137 Ų | 137 | 134.1 Ų | 134.1 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | cis | -179.6 | 141.7 | -18.2 | -98.6 | -13.5 | 0 | 0 | 0 | 104.6 | ||||
| 214 | T | 61.6 | Low | 55.8 | Low | 119 Ų | 119 | 136.2 Ų | 136.2 | 73% | 0.73 | 80% | 0.803 | S | S | * | * | trans | 64.3 | 122.4 | 147.1 | -30.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 215 | T | 59.1 | Low | 55.9 | Low | 122 Ų | 122 | 138.7 Ų | 138.7 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | -179.7 | 111.6 | 92 | -68.2 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 216 | T | 58.6 | Low | 55.9 | Low | 108 Ų | 108 | 139.2 Ų | 139.2 | 66% | 0.663 | 80% | 0.8 | S | S | * | * | 75.2 | 93.6 | 97.8 | -29.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 217 | Y | 44.7 | Very low | 55.4 | Low | 207 Ų | 207 | 138.4 Ų | 138.4 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | 36.8 | 137.4 | 121.1 | -85.9 | -79.2 | 0 | 0 | 0 | 124 | |||||
| 218 | L | 55.1 | Low | 56 | Low | 154 Ų | 154 | 142.3 Ų | 142.3 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | 91.1 | 113.1 | 148.1 | -65.9 | 170 | 0 | 0 | 0 | 120.1 | ||||
| 219 | H | 60 | Low | 55.6 | Low | 179 Ų | 179 | 142.2 Ų | 142.2 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | -153.3 | 119.1 | 131.1 | -141.3 | -105.6 | 0 | 0 | 0 | 109.9 | ||||
| 220 | L | 60.2 | Low | 56.2 | Low | 224 Ų | 224 | 144.2 Ų | 144.2 | 100% | 1.173 | 79% | 0.791 | S | S | * | * | trans | 26.8 | 0 | 168.1 | -72.5 | 94.4 | 0 | 0 | 0 | 120.6 |
Retrieved 220 of 220 residues in 455.7 ms
(Link to these results)