| 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 | 37.9 | Very low | 61.5 | Low | 241 Ų | 241 | 146 Ų | 146 | 100% | 1.187 | 79% | 0.788 | S | S | * | * | 0 | 95.5 | 0 | -70.1 | -79.1 | -138.2 | 0 | 0 | 107.7 | K3 | M1-K3 PolarHBondContact O-N 3.26Š| |||
| 2 | A | 42.7 | Very low | 63.6 | Low | 98 Ų | 98 | 144.3 Ų | 144.3 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | trans | -61 | 118.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | L4 | A2-L4 VanDerWaalsContact C-N 3.35Å; A2-L4 PolarHBondContact O-N 2.79Å | ||
| 3 | K | 46.5 | Very low | 65.6 | Low | 207 Ų | 207 | 142.5 Ų | 142.5 | 90% | 0.9 | 76% | 0.755 | S | S | * | * | trans | -65.4 | 100 | 168.4 | -110.5 | 177.2 | 176.1 | 177.6 | 0 | 106.2 | M1 N5 | M1-K3 PolarHBondContact O-N 3.26Å; K3-N5 PolarHBondContact O-N 3Å | ||
| 4 | L | 51.5 | Low | 67.3 | Low | 163 Ų | 163 | 137.1 Ų | 137.1 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | trans | -50.9 | 113.1 | 166.6 | -82.1 | 138.9 | 0 | 0 | 0 | 107.2 | A2 C6 | A2-L4 VanDerWaalsContact C-N 3.35Å; A2-L4 PolarHBondContact O-N 2.79Å; L4-C6 VanDerWaalsContact C-N 3.25Å; L4-C6 PolarHBondContact O-N 2.77Å | ||
| 5 | N | 56.8 | Low | 69 | Low | 158 Ų | 158 | 135 Ų | 135 | 85% | 0.845 | 72% | 0.724 | S | S | * | * | trans | -60.6 | 93.9 | 167.8 | -90.3 | -31.7 | 0 | 0 | 0 | 106.9 | K3 V7 | K3-N5 PolarHBondContact O-N 3Å; N5-V7 PolarHBondContact O-N 3.42Å | ||
| 6 | C | 57.6 | Low | 70.6 | Confident | 125 Ų | 125 | 133.4 Ų | 133.4 | 85% | 0.845 | 71% | 0.709 | S | S | * | * | trans | -64.9 | 101.1 | 172.8 | -119.1 | 0 | 0 | 0 | 0 | 107.3 | L4 K8 | L4-C6 VanDerWaalsContact C-N 3.25Å; L4-C6 PolarHBondContact O-N 2.77Å; C6-K8 PolarHBondContact O-N 3.36Å | ||
| 7 | V | 64.4 | Low | 72 | Confident | 98 Ų | 98 | 127.4 Ų | 127.4 | 59% | 0.594 | 69% | 0.686 | S | S | * | * | trans | -56.1 | 131.3 | 174.1 | 178.7 | 0 | 0 | 0 | 0 | 108.3 | N5 L9 F12 | N5-V7 PolarHBondContact O-N 3.42Å; V7-L9 PolarHBondContact O-N 2.84Å; V7-F12 HydrophobicContact CG1-CD2 3.98Å; V7-F12 HydrophobicContact CG1-CE2 3.83Å | ||
| 8 | K | 72.2 | Confident | 73.3 | Confident | 180 Ų | 180 | 127.9 Ų | 127.9 | 78% | 0.783 | 68% | 0.677 | S | S | * | * | trans | -71.6 | 75.3 | 176.2 | -73.6 | -175.1 | 178.3 | -178.9 | 0 | 110.4 | C6 E10 G11 F12 | C6-K8 PolarHBondContact O-N 3.36Å; K8-E10 VanDerWaalsContact C-N 3.28Å; K8-E10 PolarHBondContact O-N 2.88Å; K8-G11 PolarHBondContact O-N 3.29Å; K8-F12 WeakPolarHBondContact O-CD2 3.27Å | ||
| 9 | L | 78.7 | Confident | 74.5 | Confident | 123 Ų | 123 | 126.1 Ų | 126.1 | 64% | 0.644 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -59.1 | -36.9 | -172.4 | -159.4 | 70 | 0 | 0 | 0 | 112.6 | V7 G11 F12 M13 | V7-L9 PolarHBondContact O-N 2.84Å; L9-G11 PolarHBondContact O-N 2.67Å; L9-F12 PolarHBondContact O-N 3.4Å; L9-M13 VanDerWaalsContact O-CG 3.32Å; L9-M13 WeakPolarHBondContact O-CG 3.43Å; L9-M13 PolarHBondContact O-N 3.16Å |
| 10 | E | 82 | Confident | 75.6 | Confident | 175 Ų | 175 | 124.9 Ų | 124.9 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -61.5 | -40.1 | 179.9 | -67.6 | 179.5 | 171.8 | 0 | 0 | 113.5 | K8 M13 A14 | K8-E10 VanDerWaalsContact C-N 3.28Å; K8-E10 PolarHBondContact O-N 2.88Å; E10-M13 PolarHBondContact O-N 2.91Å; E10-A14 PolarHBondContact O-N 3.24Å; E10-A14 VanDerWaalsContact O-N 3.11Å |
| 11 | G | 86 | Confident | 76.6 | Confident | 38 Ų | 38 | 124.3 Ų | 124.3 | 39% | 0.392 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -65.2 | -44.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | K8 L9 M13 A14 E15 | K8-G11 PolarHBondContact O-N 3.29Å; L9-G11 PolarHBondContact O-N 2.67Å; G11-M13 VanDerWaalsContact C-N 3.34Å; G11-M13 PolarHBondContact O-N 2.73Å; G11-A14 PolarHBondContact O-N 2.83Å; G11-E15 WeakPolarHBondContact O-CG 3.39Å; G11-E15 PolarHBondContact O-N 2.99Å |
| 12 | F | 87.1 | Confident | 79.4 | Confident | 125 Ų | 125 | 116.3 Ų | 116.3 | 55% | 0.548 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -61.7 | -40 | 174.7 | -78.5 | -72.5 | 0 | 0 | 0 | 112.4 | V7 K8 L9 A14 E15 F16 | V7-F12 HydrophobicContact CG1-CD2 3.98Å; V7-F12 HydrophobicContact CG1-CE2 3.83Å; K8-F12 WeakPolarHBondContact O-CD2 3.27Å; L9-F12 PolarHBondContact O-N 3.4Å; F12-A14 VanDerWaalsContact C-N 3.35Å; F12-A14 PolarHBondContact O-N 2.87Å; F12-E15 PolarHBondContact O-N 2.89Å; F12-F16 VanDerWaalsContact O-CB 3.3Å; F12-F16 WeakPolarHBondContact O-CB 3.42Å; F12-F16 PolarHBondContact O-N 2.86Å |
| 13 | M | 89.5 | Confident | 82 | Confident | 122 Ų | 122 | 115.6 Ų | 115.6 | 60% | 0.601 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.1 | -39.4 | 176.7 | -69.3 | -58.4 | -63.5 | 0 | 0 | 112.2 | L9 E10 G11 F16 G17 | L9-M13 VanDerWaalsContact O-CG 3.32Å; L9-M13 WeakPolarHBondContact O-CG 3.43Å; L9-M13 PolarHBondContact O-N 3.16Å; E10-M13 PolarHBondContact O-N 2.91Å; G11-M13 VanDerWaalsContact C-N 3.34Å; G11-M13 PolarHBondContact O-N 2.73Å; M13-F16 PolarHBondContact O-N 3.4Å; M13-G17 PolarHBondContact O-N 2.84Å |
| 14 | A | 89.8 | Confident | 84.4 | Confident | 66 Ų | 66 | 110.4 Ų | 110.4 | 55% | 0.545 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68 | -40.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E10 G11 F12 F16 G17 R18 | E10-A14 PolarHBondContact O-N 3.24Å; E10-A14 VanDerWaalsContact O-N 3.11Å; G11-A14 PolarHBondContact O-N 2.83Å; F12-A14 VanDerWaalsContact C-N 3.35Å; F12-A14 PolarHBondContact O-N 2.87Å; A14-F16 VanDerWaalsContact C-N 3.34Å; A14-G17 PolarHBondContact O-N 3.48Å; A14-R18 PolarHBondContact O-N 3.49Å; A14-R18 VanDerWaalsContact O-N 3.1Å |
| 15 | E | 92.4 | Very high | 86.6 | Confident | 106 Ų | 106 | 107.9 Ų | 107.9 | 50% | 0.495 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66 | -38.1 | 174.6 | -65.5 | -171.9 | 161.3 | 0 | 0 | 112.2 | G11 F12 R18 L19 | G11-E15 WeakPolarHBondContact O-CG 3.39Å; G11-E15 PolarHBondContact O-N 2.99Å; F12-E15 PolarHBondContact O-N 2.89Å; E15-R18 PolarHBondContact O-N 3.27Å; E15-L19 WeakPolarHBondContact O-CB 3.44Å; E15-L19 PolarHBondContact O-N 3.27Å |
| 16 | F | 94.1 | Very high | 88.5 | Confident | 109 Ų | 109 | 106.1 Ų | 106.1 | 48% | 0.478 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.3 | -45.9 | 175.2 | -167.9 | -99.3 | 0 | 0 | 0 | 111.4 | F12 M13 A14 R18 L19 E20 | F12-F16 VanDerWaalsContact O-CB 3.3Å; F12-F16 WeakPolarHBondContact O-CB 3.42Å; F12-F16 PolarHBondContact O-N 2.86Å; M13-F16 PolarHBondContact O-N 3.4Å; A14-F16 VanDerWaalsContact C-N 3.34Å; F16-R18 VanDerWaalsContact C-N 3.3Å; F16-R18 PolarHBondContact O-N 3.21Å; F16-L19 WeakPolarHBondContact O-CA 3.2Å; F16-L19 WeakPolarHBondContact O-CB 3.36Å; F16-L19 PolarHBondContact O-N 2.78Å; F16-E20 HydrophobicContact CD1-CG 4.03Å; F16-E20 HydrophobicContact CE1-CG 3.82Å; F16-E20 WeakPolarHBondContact CE1-OE1 3.46Å; F16-E20 HydrophobicContact CZ-CG 4.35Å; F16-E20 WeakPolarHBondContact O-CG 3.22Å; F16-E20 PolarHBondContact O-N 3.42Å |
| 17 | G | 94.6 | Very high | 90.4 | Very high | 31 Ų | 31 | 103 Ų | 103 | 32% | 0.32 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60 | -38.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | M13 A14 E20 Q21 | M13-G17 PolarHBondContact O-N 2.84Å; A14-G17 PolarHBondContact O-N 3.48Å; G17-E20 PolarHBondContact O-N 2.86Å; G17-Q21 PolarHBondContact O-N 3.49Å |
| 18 | R | 95.6 | Very high | 92 | Very high | 138 Ų | 138 | 100.4 Ų | 100.4 | 52% | 0.521 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 173.2 | -176.4 | 177.8 | 61.7 | -127.1 | -1.7 | 112.1 | A14 E15 F16 Q21 N22 | A14-R18 PolarHBondContact O-N 3.49Å; A14-R18 VanDerWaalsContact O-N 3.1Å; E15-R18 PolarHBondContact O-N 3.27Å; F16-R18 VanDerWaalsContact C-N 3.3Å; F16-R18 PolarHBondContact O-N 3.21Å; R18-Q21 PolarHBondContact O-N 2.82Å; R18-N22 WeakPolarHBondContact O-CB 3.36Å; R18-N22 VanDerWaalsContact O-CG 3.27Å; R18-N22 PolarHBondContact O-N 2.78Å |
| 19 | L | 95.8 | Very high | 93.2 | Very high | 92 Ų | 92 | 94.3 Ų | 94.3 | 48% | 0.482 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 175.2 | 178.5 | 62.7 | 0 | 0 | 0 | 111.2 | E15 F16 Q21 N22 I23 | E15-L19 WeakPolarHBondContact O-CB 3.44Å; E15-L19 PolarHBondContact O-N 3.27Å; F16-L19 WeakPolarHBondContact O-CA 3.2Å; F16-L19 WeakPolarHBondContact O-CB 3.36Å; F16-L19 PolarHBondContact O-N 2.78Å; L19-Q21 PolarHBondContact O-N 2.94Å; L19-N22 PolarHBondContact O-N 2.85Å; L19-I23 HydrophobicContact CD1-CD1 4.09Å; L19-I23 HydrophobicContact CD1-CG1 4.29Å; L19-I23 HydrophobicContact CG-CD1 3.86Å; L19-I23 HydrophobicContact CG-CG1 4.48Å; L19-I23 WeakPolarHBondContact O-CB 3.39Å; L19-I23 VanDerWaalsContact O-CG1 3.24Å; L19-I23 WeakPolarHBondContact O-CG1 3.36Å; L19-I23 PolarHBondContact O-N 3.45Å |
| 20 | E | 96 | Very high | 94.1 | Very high | 102 Ų | 102 | 95.4 Ų | 95.4 | 48% | 0.477 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 176 | -72 | -177.7 | 135.3 | 0 | 0 | 112.2 | F16 G17 I23 T24 | F16-E20 HydrophobicContact CD1-CG 4.03Å; F16-E20 HydrophobicContact CE1-CG 3.82Å; F16-E20 WeakPolarHBondContact CE1-OE1 3.46Å; F16-E20 HydrophobicContact CZ-CG 4.35Å; F16-E20 WeakPolarHBondContact O-CG 3.22Å; F16-E20 PolarHBondContact O-N 3.42Å; G17-E20 PolarHBondContact O-N 2.86Å; E20-I23 PolarHBondContact O-N 3.42Å; E20-T24 WeakPolarHBondContact O-CB 3.39Å; E20-T24 PolarHBondContact O-N 3.16Å; E20-T24 PolarHBondContact O-OG1 3.34Å |
| 21 | Q | 96.7 | Very high | 94.8 | Very high | 113 Ų | 113 | 90.7 Ų | 90.7 | 53% | 0.528 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.8 | -49.8 | 174.2 | -177.6 | 177.2 | -2.3 | 0 | 0 | 111.2 | G17 R18 L19 I23 T24 E25 | G17-Q21 PolarHBondContact O-N 3.49Å; R18-Q21 PolarHBondContact O-N 2.82Å; L19-Q21 PolarHBondContact O-N 2.94Å; Q21-I23 VanDerWaalsContact C-N 3.31Å; Q21-I23 PolarHBondContact O-N 2.82Å; Q21-T24 WeakPolarHBondContact O-CB 3.34Å; Q21-T24 PolarHBondContact O-N 3.16Å; Q21-T24 VanDerWaalsContact O-N 3.09Å; Q21-E25 HydrophobicContact CG-CG 4.47Å; Q21-E25 WeakPolarHBondContact CG-OE1 3.46Å; Q21-E25 PolarHBondContact NE2-OE1 3.44Å; Q21-E25 WeakPolarHBondContact O-CG 3.17Å; Q21-E25 PolarHBondContact O-N 3.25Å |
| 22 | N | 97.5 | Very high | 95.4 | Very high | 74 Ų | 74 | 93.1 Ų | 93.1 | 40% | 0.396 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.9 | -42 | 177.5 | -74.5 | -11.5 | 0 | 0 | 0 | 111.9 | R18 L19 T24 E25 L26 | R18-N22 WeakPolarHBondContact O-CB 3.36Å; R18-N22 VanDerWaalsContact O-CG 3.27Å; R18-N22 PolarHBondContact O-N 2.78Å; L19-N22 PolarHBondContact O-N 2.85Å; N22-T24 VanDerWaalsContact C-N 3.31Å; N22-T24 PolarHBondContact O-N 2.94Å; N22-E25 PolarHBondContact O-N 3.38Å; N22-L26 VanDerWaalsContact O-CB 3.25Å; N22-L26 WeakPolarHBondContact O-CB 3.22Å; N22-L26 WeakPolarHBondContact O-CG 3.46Å; N22-L26 PolarHBondContact O-N 2.83Å |
| 23 | I | 96.9 | Very high | 95.9 | Very high | 82 Ų | 82 | 92.2 Ų | 92.2 | 42% | 0.421 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 176.4 | -72.4 | 167.2 | 0 | 0 | 0 | 110.4 | L19 E20 Q21 N27 | L19-I23 HydrophobicContact CD1-CD1 4.09Å; L19-I23 HydrophobicContact CD1-CG1 4.29Å; L19-I23 HydrophobicContact CG-CD1 3.86Å; L19-I23 HydrophobicContact CG-CG1 4.48Å; L19-I23 WeakPolarHBondContact O-CB 3.39Å; L19-I23 VanDerWaalsContact O-CG1 3.24Å; L19-I23 WeakPolarHBondContact O-CG1 3.36Å; L19-I23 PolarHBondContact O-N 3.45Å; E20-I23 PolarHBondContact O-N 3.42Å; Q21-I23 VanDerWaalsContact C-N 3.31Å; Q21-I23 PolarHBondContact O-N 2.82Å; I23-N27 WeakPolarHBondContact CG2-ND2 3.29Å; I23-N27 VanDerWaalsContact O-CB 3.29Å; I23-N27 WeakPolarHBondContact O-CB 3.37Å; I23-N27 VanDerWaalsContact O-CG 3.25Å; I23-N27 PolarHBondContact O-N 2.81Å; I23-N27 PolarHBondContact O-ND2 2.95Å; I23-N27 VanDerWaalsContact O-ND2 3.11Å |
| 24 | T | 96.8 | Very high | 96.3 | Very high | 98 Ų | 98 | 91.3 Ų | 91.3 | 60% | 0.601 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -66.9 | -46.3 | -179.8 | -55.1 | 0 | 0 | 0 | 0 | 111.5 | E20 Q21 N22 N27 G28 | E20-T24 WeakPolarHBondContact O-CB 3.39Å; E20-T24 PolarHBondContact O-N 3.16Å; E20-T24 PolarHBondContact O-OG1 3.34Å; Q21-T24 WeakPolarHBondContact O-CB 3.34Å; Q21-T24 PolarHBondContact O-N 3.16Å; Q21-T24 VanDerWaalsContact O-N 3.09Å; N22-T24 VanDerWaalsContact C-N 3.31Å; N22-T24 PolarHBondContact O-N 2.94Å; T24-N27 PolarHBondContact O-N 2.71Å; T24-G28 PolarHBondContact O-N 3.43Å |
| 25 | E | 97.4 | Very high | 96.7 | Very high | 111 Ų | 111 | 92.6 Ų | 92.6 | 52% | 0.519 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 177.2 | -71.3 | 176.5 | -168.3 | 0 | 0 | 111.7 | Q21 N22 N27 G28 A29 | Q21-E25 HydrophobicContact CG-CG 4.47Å; Q21-E25 WeakPolarHBondContact CG-OE1 3.46Å; Q21-E25 PolarHBondContact NE2-OE1 3.44Å; Q21-E25 WeakPolarHBondContact O-CG 3.17Å; Q21-E25 PolarHBondContact O-N 3.25Å; N22-E25 PolarHBondContact O-N 3.38Å; E25-N27 PolarHBondContact O-N 2.95Å; E25-G28 PolarHBondContact O-N 3.13Å; E25-A29 PolarHBondContact O-N 3.45Å |
| 26 | L | 97.3 | Very high | 97 | Very high | 121 Ų | 121 | 93.8 Ų | 93.8 | 63% | 0.634 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.7 | -41.2 | 176.6 | -74.2 | 172.9 | 0 | 0 | 0 | 111.9 | N22 A29 R30 | N22-L26 VanDerWaalsContact O-CB 3.25Å; N22-L26 WeakPolarHBondContact O-CB 3.22Å; N22-L26 WeakPolarHBondContact O-CG 3.46Å; N22-L26 PolarHBondContact O-N 2.83Å; L26-A29 PolarHBondContact O-N 2.84Å; L26-R30 VanDerWaalsContact O-CB 3.27Å; L26-R30 WeakPolarHBondContact O-CB 3.4Å; L26-R30 PolarHBondContact O-N 3.37Å |
| 27 | N | 97.3 | Very high | 97.2 | Very high | 60 Ų | 60 | 93.5 Ų | 93.5 | 32% | 0.321 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 175.4 | -79.3 | -34.2 | 0 | 0 | 0 | 112 | I23 T24 E25 R30 N31 | I23-N27 WeakPolarHBondContact CG2-ND2 3.29Å; I23-N27 VanDerWaalsContact O-CB 3.29Å; I23-N27 WeakPolarHBondContact O-CB 3.37Å; I23-N27 VanDerWaalsContact O-CG 3.25Å; I23-N27 PolarHBondContact O-N 2.81Å; I23-N27 PolarHBondContact O-ND2 2.95Å; I23-N27 VanDerWaalsContact O-ND2 3.11Å; T24-N27 PolarHBondContact O-N 2.71Å; E25-N27 PolarHBondContact O-N 2.95Å; N27-R30 PolarHBondContact O-N 2.91Å; N27-R30 VanDerWaalsContact OD1-CZ 3.3Å; N27-R30 PolarHBondContact OD1-NH2 3.43Å; N27-N31 PolarHBondContact O-N 2.79Å; N27-N31 PolarHBondContact O-OD1 3.38Å |
| 28 | G | 97.7 | Very high | 97.4 | Very high | 42 Ų | 42 | 96.5 Ų | 96.5 | 43% | 0.433 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T24 E25 R30 N31 L32 | T24-G28 PolarHBondContact O-N 3.43Å; E25-G28 PolarHBondContact O-N 3.13Å; G28-R30 VanDerWaalsContact C-N 3.34Å; G28-R30 PolarHBondContact O-N 3.42Å; G28-N31 PolarHBondContact O-N 2.9Å; G28-L32 PolarHBondContact O-N 3.09Å; G28-L32 VanDerWaalsContact O-N 3.11Å |
| 29 | A | 97.8 | Very high | 97.5 | Very high | 52 Ų | 52 | 94 Ų | 94 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E25 L26 L32 L33 | E25-A29 PolarHBondContact O-N 3.45Å; L26-A29 PolarHBondContact O-N 2.84Å; A29-L32 PolarHBondContact O-N 3.01Å; A29-L33 WeakPolarHBondContact O-CG 3.34Å; A29-L33 PolarHBondContact O-N 2.82Å |
| 30 | R | 97.7 | Very high | 97.6 | Very high | 146 Ų | 146 | 92.8 Ų | 92.8 | 55% | 0.551 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.9 | -50.4 | 175.8 | -176.7 | -173 | 68.2 | -177.2 | -2 | 111.5 | L26 N27 G28 L32 L33 E34 | L26-R30 VanDerWaalsContact O-CB 3.27Å; L26-R30 WeakPolarHBondContact O-CB 3.4Å; L26-R30 PolarHBondContact O-N 3.37Å; N27-R30 PolarHBondContact O-N 2.91Å; N27-R30 VanDerWaalsContact OD1-CZ 3.3Å; N27-R30 PolarHBondContact OD1-NH2 3.43Å; G28-R30 VanDerWaalsContact C-N 3.34Å; G28-R30 PolarHBondContact O-N 3.42Å; R30-L32 VanDerWaalsContact C-N 3.29Å; R30-L32 PolarHBondContact O-N 2.93Å; R30-L33 WeakPolarHBondContact O-CB 3.45Å; R30-L33 PolarHBondContact O-N 3.47Å; R30-L33 VanDerWaalsContact O-N 3.12Å; R30-E34 PolarHBondContact O-N 3.39Å |
| 31 | N | 97.7 | Very high | 97.7 | Very high | 76 Ų | 76 | 91.8 Ų | 91.8 | 41% | 0.406 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62 | -38.5 | -179.6 | -65.4 | -4 | 0 | 0 | 0 | 111.5 | N27 G28 L33 E34 I35 | N27-N31 PolarHBondContact O-N 2.79Å; N27-N31 PolarHBondContact O-OD1 3.38Å; G28-N31 PolarHBondContact O-N 2.9Å; N31-L33 VanDerWaalsContact C-N 3.35Å; N31-L33 PolarHBondContact O-N 3.39Å; N31-E34 PolarHBondContact O-N 3.43Å; N31-I35 WeakPolarHBondContact O-CG1 3.47Å; N31-I35 PolarHBondContact O-N 2.91Å |
| 32 | L | 98 | Very high | 97.8 | Very high | 90 Ų | 90 | 94.2 Ų | 94.2 | 47% | 0.471 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.5 | -37.5 | 175.6 | -177.6 | 64.6 | 0 | 0 | 0 | 112.4 | G28 A29 R30 R36 | G28-L32 PolarHBondContact O-N 3.09Å; G28-L32 VanDerWaalsContact O-N 3.11Å; A29-L32 PolarHBondContact O-N 3.01Å; R30-L32 VanDerWaalsContact C-N 3.29Å; R30-L32 PolarHBondContact O-N 2.93Å; L32-R36 WeakPolarHBondContact O-CG 3.45Å; L32-R36 PolarHBondContact O-N 3.25Å; L32-R36 VanDerWaalsContact O-N 3.15Å |
| 33 | L | 97.9 | Very high | 97.8 | Very high | 106 Ų | 106 | 95.2 Ų | 95.2 | 56% | 0.555 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.5 | -38.8 | 173.7 | -73.2 | 171.5 | 0 | 0 | 0 | 111.7 | A29 R30 N31 R36 L37 | A29-L33 WeakPolarHBondContact O-CG 3.34Å; A29-L33 PolarHBondContact O-N 2.82Å; R30-L33 WeakPolarHBondContact O-CB 3.45Å; R30-L33 PolarHBondContact O-N 3.47Å; R30-L33 VanDerWaalsContact O-N 3.12Å; N31-L33 VanDerWaalsContact C-N 3.35Å; N31-L33 PolarHBondContact O-N 3.39Å; L33-R36 PolarHBondContact O-N 2.89Å; L33-L37 WeakPolarHBondContact O-CB 3.45Å; L33-L37 PolarHBondContact O-N 3.32Å |
| 34 | E | 98.2 | Very high | 97.9 | Very high | 103 Ų | 103 | 95.3 Ų | 95.3 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 176.4 | -169.2 | 166.9 | -153.2 | 0 | 0 | 111.6 | R30 N31 R36 L37 E38 | R30-E34 PolarHBondContact O-N 3.39Å; N31-E34 PolarHBondContact O-N 3.43Å; E34-R36 PolarHBondContact O-N 2.87Å; E34-L37 WeakPolarHBondContact O-CB 3.38Å; E34-L37 PolarHBondContact O-N 3.49Å; E34-L37 VanDerWaalsContact O-N 3.16Å; E34-E38 WeakPolarHBondContact O-CG 3.47Å; E34-E38 PolarHBondContact O-N 2.89Å |
| 35 | I | 98.1 | Very high | 98 | Very high | 92 Ų | 92 | 95.3 Ų | 95.3 | 47% | 0.472 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.8 | -46.4 | 174.5 | -66.1 | 165.8 | 0 | 0 | 0 | 111.1 | N31 L37 E38 D39 | N31-I35 WeakPolarHBondContact O-CG1 3.47Å; N31-I35 PolarHBondContact O-N 2.91Å; I35-L37 VanDerWaalsContact C-N 3.29Å; I35-L37 PolarHBondContact O-N 3Å; I35-E38 PolarHBondContact O-N 2.83Å; I35-D39 PolarHBondContact O-N 2.88Å |
| 36 | R | 98 | Very high | 98 | Very high | 131 Ų | 131 | 95.7 Ų | 95.7 | 49% | 0.494 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.9 | -34.5 | 178.3 | -78.3 | -171 | -73 | -152 | -0.1 | 112.8 | L32 L33 E34 S40 | L32-R36 WeakPolarHBondContact O-CG 3.45Å; L32-R36 PolarHBondContact O-N 3.25Å; L32-R36 VanDerWaalsContact O-N 3.15Å; L33-R36 PolarHBondContact O-N 2.89Å; E34-R36 PolarHBondContact O-N 2.87Å; R36-S40 WeakPolarHBondContact O-CB 3.37Å; R36-S40 PolarHBondContact O-N 2.84Å; R36-S40 PolarHBondContact O-OG 3.17Å |
| 37 | L | 98.1 | Very high | 98.1 | Very high | 103 Ų | 103 | 96.4 Ų | 96.4 | 54% | 0.539 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.6 | -44.1 | 175 | 180 | 62.8 | 0 | 0 | 0 | 110.7 | L33 E34 I35 S40 N41 | L33-L37 WeakPolarHBondContact O-CB 3.45Å; L33-L37 PolarHBondContact O-N 3.32Å; E34-L37 WeakPolarHBondContact O-CB 3.38Å; E34-L37 PolarHBondContact O-N 3.49Å; E34-L37 VanDerWaalsContact O-N 3.16Å; I35-L37 VanDerWaalsContact C-N 3.29Å; I35-L37 PolarHBondContact O-N 3Å; L37-S40 PolarHBondContact O-N 3.11Å; L37-N41 WeakPolarHBondContact O-CB 3.44Å; L37-N41 VanDerWaalsContact O-CG 3.24Å; L37-N41 PolarHBondContact O-N 2.83Å; L37-N41 PolarHBondContact O-ND2 3.32Å |
| 38 | E | 98.3 | Very high | 98.2 | Very high | 94 Ų | 94 | 97.1 Ų | 97.1 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 174.9 | -73.1 | -177.5 | -171.8 | 0 | 0 | 112.2 | E34 I35 S40 N41 R42 | E34-E38 WeakPolarHBondContact O-CG 3.47Å; E34-E38 PolarHBondContact O-N 2.89Å; I35-E38 PolarHBondContact O-N 2.83Å; E38-S40 VanDerWaalsContact C-N 3.35Å; E38-S40 PolarHBondContact O-N 2.74Å; E38-N41 PolarHBondContact O-N 2.89Å; E38-R42 WeakPolarHBondContact O-CG 3.49Å; E38-R42 PolarHBondContact O-N 3.39Å |
| 39 | D | 98.3 | Very high | 98.2 | Very high | 87 Ų | 87 | 100.4 Ų | 100.4 | 47% | 0.465 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 177.3 | -75.8 | -22 | 0 | 0 | 0 | 111.7 | I35 N41 R42 L43 | I35-D39 PolarHBondContact O-N 2.88Å; D39-N41 PolarHBondContact O-N 2.97Å; D39-R42 PolarHBondContact O-N 2.8Å; D39-L43 PolarHBondContact O-N 3.29Å |
| 40 | S | 98.2 | Very high | 98.2 | Very high | 66 Ų | 66 | 103.4 Ų | 103.4 | 46% | 0.462 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 175.7 | -59.6 | 0 | 0 | 0 | 0 | 111.4 | R36 L37 E38 L43 V44 | R36-S40 WeakPolarHBondContact O-CB 3.37Å; R36-S40 PolarHBondContact O-N 2.84Å; R36-S40 PolarHBondContact O-OG 3.17Å; L37-S40 PolarHBondContact O-N 3.11Å; E38-S40 VanDerWaalsContact C-N 3.35Å; E38-S40 PolarHBondContact O-N 2.74Å; S40-L43 PolarHBondContact O-N 3.24Å; S40-V44 WeakPolarHBondContact O-CG2 3.4Å; S40-V44 PolarHBondContact O-N 3.49Å |
| 41 | N | 98.4 | Very high | 98.3 | Very high | 81 Ų | 81 | 101 Ų | 101 | 43% | 0.433 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 177.3 | -75 | -26 | 0 | 0 | 0 | 112.2 | L37 E38 D39 L43 V44 N45 | L37-N41 WeakPolarHBondContact O-CB 3.44Å; L37-N41 VanDerWaalsContact O-CG 3.24Å; L37-N41 PolarHBondContact O-N 2.83Å; L37-N41 PolarHBondContact O-ND2 3.32Å; E38-N41 PolarHBondContact O-N 2.89Å; D39-N41 PolarHBondContact O-N 2.97Å; N41-L43 VanDerWaalsContact C-N 3.31Å; N41-L43 PolarHBondContact O-N 3.27Å; N41-V44 PolarHBondContact O-N 2.87Å; N41-N45 WeakPolarHBondContact O-CB 3.4Å; N41-N45 VanDerWaalsContact O-CG 3.29Å; N41-N45 PolarHBondContact O-N 2.93Å; N41-N45 PolarHBondContact O-ND2 3.49Å |
| 42 | R | 98.4 | Very high | 98.3 | Very high | 164 Ų | 164 | 101.3 Ų | 101.3 | 62% | 0.619 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.8 | -43.3 | 174 | -73 | 174.5 | -177.2 | 179 | 4.3 | 111.3 | E38 D39 N45 F46 | E38-R42 WeakPolarHBondContact O-CG 3.49Å; E38-R42 PolarHBondContact O-N 3.39Å; D39-R42 PolarHBondContact O-N 2.8Å; R42-N45 PolarHBondContact O-N 3.46Å; R42-F46 PolarHBondContact O-N 3.42Å |
| 43 | L | 98.4 | Very high | 98.3 | Very high | 95 Ų | 95 | 100.1 Ų | 100.1 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.3 | -43.6 | 179.2 | -169.8 | 62.8 | 0 | 0 | 0 | 112 | D39 S40 N41 F46 Y47 | D39-L43 PolarHBondContact O-N 3.29Å; S40-L43 PolarHBondContact O-N 3.24Å; N41-L43 VanDerWaalsContact C-N 3.31Å; N41-L43 PolarHBondContact O-N 3.27Å; L43-F46 WeakPolarHBondContact O-CB 3.46Å; L43-F46 PolarHBondContact O-N 2.98Å; L43-Y47 HydrophobicContact CD1-CD2 3.97Å; L43-Y47 HydrophobicContact CD1-CE2 3.42Å; L43-Y47 VanDerWaalsContact CD1-CE2 3.42Å; L43-Y47 HydrophobicContact CD2-CE2 4.2Å; L43-Y47 HydrophobicContact CG-CD2 3.88Å; L43-Y47 HydrophobicContact CG-CE2 3.62Å; L43-Y47 VanDerWaalsContact O-CD2 3.24Å; L43-Y47 WeakPolarHBondContact O-CD2 3.49Å; L43-Y47 PolarHBondContact O-N 2.93Å |
| 44 | V | 98.4 | Very high | 98.4 | Very high | 83 Ų | 83 | 99.7 Ų | 99.7 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.9 | -49 | 175 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | S40 N41 F46 Y47 V48 | S40-V44 WeakPolarHBondContact O-CG2 3.4Å; S40-V44 PolarHBondContact O-N 3.49Å; N41-V44 PolarHBondContact O-N 2.87Å; V44-F46 VanDerWaalsContact C-N 3.3Å; V44-F46 PolarHBondContact O-N 2.93Å; V44-Y47 PolarHBondContact O-N 3.44Å; V44-V48 HydrophobicContact CG1-CG2 4.22Å; V44-V48 VanDerWaalsContact O-CG2 3.32Å; V44-V48 WeakPolarHBondContact O-CG2 3.49Å; V44-V48 PolarHBondContact O-N 2.95Å |
| 45 | N | 98.5 | Very high | 98.4 | Very high | 99 Ų | 99 | 100.5 Ų | 100.5 | 53% | 0.529 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.7 | -40.6 | 178.3 | -73.8 | -24.8 | 0 | 0 | 0 | 112.3 | N41 R42 N49 | N41-N45 WeakPolarHBondContact O-CB 3.4Å; N41-N45 VanDerWaalsContact O-CG 3.29Å; N41-N45 PolarHBondContact O-N 2.93Å; N41-N45 PolarHBondContact O-ND2 3.49Å; R42-N45 PolarHBondContact O-N 3.46Å; N45-N49 WeakPolarHBondContact O-CB 3.33Å; N45-N49 VanDerWaalsContact O-CG 3.25Å; N45-N49 PolarHBondContact O-N 2.95Å; N45-N49 PolarHBondContact O-ND2 3.28Å |
| 46 | F | 98.5 | Very high | 98.4 | Very high | 118 Ų | 118 | 98.9 Ų | 98.9 | 52% | 0.518 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.5 | -48.8 | 175.4 | 173.5 | -96.5 | 0 | 0 | 0 | 112 | R42 L43 V44 N49 K50 | R42-F46 PolarHBondContact O-N 3.42Å; L43-F46 WeakPolarHBondContact O-CB 3.46Å; L43-F46 PolarHBondContact O-N 2.98Å; V44-F46 VanDerWaalsContact C-N 3.3Å; V44-F46 PolarHBondContact O-N 2.93Å; F46-N49 PolarHBondContact O-N 2.98Å; F46-K50 HydrophobicContact CE1-CD 4.29Å; F46-K50 HydrophobicContact CZ-CD 4.41Å; F46-K50 WeakPolarHBondContact O-CB 3.4Å; F46-K50 PolarHBondContact O-N 3.35Å |
| 47 | Y | 98.4 | Very high | 98.4 | Very high | 136 Ų | 136 | 97.3 Ų | 97.3 | 53% | 0.533 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.5 | -36.7 | -179.2 | -76.4 | -64.1 | 0 | 0 | 0 | 112.9 | L43 V44 K50 E51 | L43-Y47 HydrophobicContact CD1-CD2 3.97Å; L43-Y47 HydrophobicContact CD1-CE2 3.42Å; L43-Y47 VanDerWaalsContact CD1-CE2 3.42Å; L43-Y47 HydrophobicContact CD2-CE2 4.2Å; L43-Y47 HydrophobicContact CG-CD2 3.88Å; L43-Y47 HydrophobicContact CG-CE2 3.62Å; L43-Y47 VanDerWaalsContact O-CD2 3.24Å; L43-Y47 WeakPolarHBondContact O-CD2 3.49Å; L43-Y47 PolarHBondContact O-N 2.93Å; V44-Y47 PolarHBondContact O-N 3.44Å; Y47-K50 PolarHBondContact O-N 3.36Å; Y47-E51 WeakPolarHBondContact O-CB 3.44Å; Y47-E51 PolarHBondContact O-N 3.42Å |
| 48 | V | 98.6 | Very high | 98.5 | Very high | 75 Ų | 75 | 99 Ų | 99 | 46% | 0.455 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 174.1 | 168.8 | 0 | 0 | 0 | 0 | 110.9 | V44 K50 E51 Q52 | V44-V48 HydrophobicContact CG1-CG2 4.22Å; V44-V48 VanDerWaalsContact O-CG2 3.32Å; V44-V48 WeakPolarHBondContact O-CG2 3.49Å; V44-V48 PolarHBondContact O-N 2.95Å; V48-K50 PolarHBondContact O-N 3.15Å; V48-E51 PolarHBondContact O-N 3.48Å; V48-Q52 PolarHBondContact O-N 3.34Å |
| 49 | N | 98.4 | Very high | 98.5 | Very high | 112 Ų | 112 | 100.3 Ų | 100.3 | 60% | 0.599 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.9 | -40.4 | 177.8 | -71.1 | -20.8 | 0 | 0 | 0 | 112 | N45 F46 Q52 S53 | N45-N49 WeakPolarHBondContact O-CB 3.33Å; N45-N49 VanDerWaalsContact O-CG 3.25Å; N45-N49 PolarHBondContact O-N 2.95Å; N45-N49 PolarHBondContact O-ND2 3.28Å; F46-N49 PolarHBondContact O-N 2.98Å; N49-Q52 PolarHBondContact O-N 3.3Å; N49-S53 PolarHBondContact O-N 3.46Å |
| 50 | K | 98.6 | Very high | 98.5 | Very high | 115 Ų | 115 | 103.1 Ų | 103.1 | 50% | 0.5 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 176.3 | -173.6 | 174.7 | -177.7 | 178.1 | 0 | 111.5 | F46 Y47 V48 Q52 S53 L54 | F46-K50 HydrophobicContact CE1-CD 4.29Å; F46-K50 HydrophobicContact CZ-CD 4.41Å; F46-K50 WeakPolarHBondContact O-CB 3.4Å; F46-K50 PolarHBondContact O-N 3.35Å; Y47-K50 PolarHBondContact O-N 3.36Å; V48-K50 PolarHBondContact O-N 3.15Å; K50-Q52 VanDerWaalsContact C-N 3.34Å; K50-S53 PolarHBondContact O-N 2.93Å; K50-L54 HydrophobicContact CG-CD1 4.36Å; K50-L54 WeakPolarHBondContact O-CG 3.41Å; K50-L54 PolarHBondContact O-N 2.95Å; K50-L54 VanDerWaalsContact O-N 3.08Å |
| 51 | E | 98.5 | Very high | 98.5 | Very high | 95 Ų | 95 | 104.8 Ų | 104.8 | 44% | 0.444 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 176.5 | -167.8 | -171.7 | 171.2 | 0 | 0 | 111 | Y47 V48 S53 L54 R55 | Y47-E51 WeakPolarHBondContact O-CB 3.44Å; Y47-E51 PolarHBondContact O-N 3.42Å; V48-E51 PolarHBondContact O-N 3.48Å; E51-S53 PolarHBondContact O-N 2.95Å; E51-L54 PolarHBondContact O-N 3Å; E51-R55 WeakPolarHBondContact O-CG 3.34Å; E51-R55 PolarHBondContact O-N 2.99Å; E51-R55 IonicContact OE1-CZ 2.99Å; E51-R55 VanDerWaalsContact OE1-CZ 3.31Å; E51-R55 IonicContact OE1-NE 3.21Å; E51-R55 PolarHBondContact OE1-NE 3.27Å; E51-R55 IonicContact OE1-NH2 2.74Å; E51-R55 PolarHBondContact OE1-NH2 2.81Å; E51-R55 IonicContact OE2-NH2 2.84Å; E51-R55 PolarHBondContact OE2-NH2 3.31Å |
| 52 | Q | 98.6 | Very high | 98.5 | Very high | 82 Ų | 82 | 105.1 Ų | 105.1 | 38% | 0.383 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 177.6 | -171.1 | 57.8 | 40.1 | 0 | 0 | 112 | V48 N49 K50 L54 R55 D56 | V48-Q52 PolarHBondContact O-N 3.34Å; N49-Q52 PolarHBondContact O-N 3.3Å; K50-Q52 VanDerWaalsContact C-N 3.34Å; Q52-L54 VanDerWaalsContact C-N 3.3Å; Q52-L54 PolarHBondContact O-N 3.01Å; Q52-R55 WeakPolarHBondContact O-CB 3.36Å; Q52-R55 PolarHBondContact O-N 2.8Å; Q52-R55 VanDerWaalsContact O-N 3.14Å; Q52-D56 PolarHBondContact NE2-OD1 3.3Å; Q52-D56 VanDerWaalsContact O-CG 3.28Å; Q52-D56 PolarHBondContact O-N 3.42Å |
| 53 | S | 98.6 | Very high | 98.6 | Very high | 66 Ų | 66 | 101.7 Ų | 101.7 | 46% | 0.462 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.6 | -42.4 | 176 | -176 | 0 | 0 | 0 | 0 | 112.4 | N49 K50 E51 D56 E57 | N49-S53 PolarHBondContact O-N 3.46Å; K50-S53 PolarHBondContact O-N 2.93Å; E51-S53 PolarHBondContact O-N 2.95Å; S53-D56 PolarHBondContact O-N 2.81Å; S53-E57 PolarHBondContact O-N 3.31Å |
| 54 | L | 98.6 | Very high | 98.6 | Very high | 97 Ų | 97 | 100.6 Ų | 100.6 | 51% | 0.508 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.7 | -36.1 | 177.1 | -70.1 | 172.4 | 0 | 0 | 0 | 112.6 | K50 E51 Q52 E57 K58 | K50-L54 HydrophobicContact CG-CD1 4.36Å; K50-L54 WeakPolarHBondContact O-CG 3.41Å; K50-L54 PolarHBondContact O-N 2.95Å; K50-L54 VanDerWaalsContact O-N 3.08Å; E51-L54 PolarHBondContact O-N 3Å; Q52-L54 VanDerWaalsContact C-N 3.3Å; Q52-L54 PolarHBondContact O-N 3.01Å; L54-E57 PolarHBondContact O-N 2.85Å; L54-K58 WeakPolarHBondContact O-CB 3.45Å; L54-K58 PolarHBondContact O-N 2.8Å |
| 55 | R | 98.6 | Very high | 98.6 | Very high | 120 Ų | 120 | 99.8 Ų | 99.8 | 45% | 0.453 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 173.7 | -70.4 | -179.3 | -158.8 | 148.9 | -7 | 111 | E51 Q52 E57 K58 E59 | E51-R55 WeakPolarHBondContact O-CG 3.34Å; E51-R55 PolarHBondContact O-N 2.99Å; E51-R55 IonicContact OE1-CZ 2.99Å; E51-R55 VanDerWaalsContact OE1-CZ 3.31Å; E51-R55 IonicContact OE1-NE 3.21Å; E51-R55 PolarHBondContact OE1-NE 3.27Å; E51-R55 IonicContact OE1-NH2 2.74Å; E51-R55 PolarHBondContact OE1-NH2 2.81Å; E51-R55 IonicContact OE2-NH2 2.84Å; E51-R55 PolarHBondContact OE2-NH2 3.31Å; Q52-R55 WeakPolarHBondContact O-CB 3.36Å; Q52-R55 PolarHBondContact O-N 2.8Å; Q52-R55 VanDerWaalsContact O-N 3.14Å; R55-E57 VanDerWaalsContact C-N 3.32Å; R55-E57 PolarHBondContact O-N 2.79Å; R55-K58 WeakPolarHBondContact O-CB 3.46Å; R55-K58 PolarHBondContact O-N 3.36Å; R55-E59 PolarHBondContact O-N 3.48Å |
| 56 | D | 98.4 | Very high | 98.6 | Very high | 57 Ų | 57 | 99.7 Ų | 99.7 | 31% | 0.305 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 178.8 | -61.4 | -9.1 | 0 | 0 | 0 | 111.4 | Q52 S53 E59 R60 | Q52-D56 PolarHBondContact NE2-OD1 3.3Å; Q52-D56 VanDerWaalsContact O-CG 3.28Å; Q52-D56 PolarHBondContact O-N 3.42Å; S53-D56 PolarHBondContact O-N 2.81Å; D56-E59 PolarHBondContact O-N 3.46Å; D56-R60 WeakPolarHBondContact O-CG 3.49Å; D56-R60 PolarHBondContact O-N 2.93Å; D56-R60 VanDerWaalsContact O-N 3.09Å |
| 57 | E | 98.6 | Very high | 98.6 | Very high | 99 Ų | 99 | 102.3 Ų | 102.3 | 46% | 0.463 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.6 | -45.1 | 174.8 | -173.6 | 178 | -176.6 | 0 | 0 | 111.9 | S53 L54 R55 E59 R60 L61 | S53-E57 PolarHBondContact O-N 3.31Å; L54-E57 PolarHBondContact O-N 2.85Å; R55-E57 VanDerWaalsContact C-N 3.32Å; R55-E57 PolarHBondContact O-N 2.79Å; E57-E59 VanDerWaalsContact C-N 3.29Å; E57-E59 PolarHBondContact O-N 2.9Å; E57-R60 PolarHBondContact O-N 3.42Å; E57-L61 HydrophobicContact CG-CD1 4.33Å; E57-L61 WeakPolarHBondContact O-CG 3.26Å; E57-L61 PolarHBondContact O-N 3.31Å |
| 58 | K | 98.5 | Very high | 98.6 | Very high | 137 Ų | 137 | 101.1 Ų | 101.1 | 60% | 0.596 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -56.4 | -44.1 | 174.5 | 177.6 | -170.6 | 169.8 | -174.5 | 0 | 111.3 | L54 R55 L61 L62 | L54-K58 WeakPolarHBondContact O-CB 3.45Å; L54-K58 PolarHBondContact O-N 2.8Å; R55-K58 WeakPolarHBondContact O-CB 3.46Å; R55-K58 PolarHBondContact O-N 3.36Å; K58-L61 PolarHBondContact O-N 3.37Å; K58-L62 HydrophobicContact CG-CD1 4.25Å; K58-L62 WeakPolarHBondContact O-CG 3.49Å; K58-L62 PolarHBondContact O-N 3.49Å |
| 59 | E | 98.7 | Very high | 98.6 | Very high | 123 Ų | 123 | 103.2 Ų | 103.2 | 58% | 0.575 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64 | -43.7 | 179.2 | -172.1 | 171.7 | -170.6 | 0 | 0 | 111.8 | R55 D56 E57 L61 L62 L63 | R55-E59 PolarHBondContact O-N 3.48Å; D56-E59 PolarHBondContact O-N 3.46Å; E57-E59 VanDerWaalsContact C-N 3.29Å; E57-E59 PolarHBondContact O-N 2.9Å; E59-L61 VanDerWaalsContact C-N 3.3Å; E59-L61 PolarHBondContact O-N 2.89Å; E59-L62 PolarHBondContact O-N 2.89Å; E59-L63 WeakPolarHBondContact O-CG 3.42Å; E59-L63 PolarHBondContact O-N 3.38Å |
| 60 | R | 98.6 | Very high | 98.6 | Very high | 145 Ų | 145 | 103.4 Ų | 103.4 | 55% | 0.547 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.8 | -39.5 | 173.6 | -73.1 | -175 | -72.5 | -96.7 | 1.2 | 112.6 | D56 E57 T64 | D56-R60 WeakPolarHBondContact O-CG 3.49Å; D56-R60 PolarHBondContact O-N 2.93Å; D56-R60 VanDerWaalsContact O-N 3.09Å; E57-R60 PolarHBondContact O-N 3.42Å; R60-T64 PolarHBondContact O-N 2.92Å; R60-T64 PolarHBondContact O-OG1 2.94Å |
| 61 | L | 98.7 | Very high | 98.6 | Very high | 101 Ų | 101 | 101.4 Ų | 101.4 | 53% | 0.529 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.8 | -42.4 | 176.9 | -72.4 | 173.9 | 0 | 0 | 0 | 111.8 | E57 K58 E59 L63 T64 V65 | E57-L61 HydrophobicContact CG-CD1 4.33Å; E57-L61 WeakPolarHBondContact O-CG 3.26Å; E57-L61 PolarHBondContact O-N 3.31Å; K58-L61 PolarHBondContact O-N 3.37Å; E59-L61 VanDerWaalsContact C-N 3.3Å; E59-L61 PolarHBondContact O-N 2.89Å; L61-L63 PolarHBondContact O-N 3.35Å; L61-T64 WeakPolarHBondContact O-CB 3.46Å; L61-T64 PolarHBondContact O-N 3.43Å; L61-T64 VanDerWaalsContact O-N 3.09Å; L61-V65 WeakPolarHBondContact O-CG2 3.47Å; L61-V65 PolarHBondContact O-N 3.36Å |
| 62 | L | 98.8 | Very high | 98.6 | Very high | 89 Ų | 89 | 102.1 Ų | 102.1 | 47% | 0.466 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.2 | -47.1 | 175.8 | -75.6 | 170.5 | 0 | 0 | 0 | 111.5 | K58 E59 T64 V65 D66 | K58-L62 HydrophobicContact CG-CD1 4.25Å; K58-L62 WeakPolarHBondContact O-CG 3.49Å; K58-L62 PolarHBondContact O-N 3.49Å; E59-L62 PolarHBondContact O-N 2.89Å; L62-T64 PolarHBondContact O-N 3.18Å; L62-V65 WeakPolarHBondContact O-CB 3.42Å; L62-V65 PolarHBondContact O-N 3.02Å; L62-V65 VanDerWaalsContact O-N 3.09Å; L62-D66 PolarHBondContact O-N 2.95Å |
| 63 | L | 98.7 | Very high | 98.6 | Very high | 91 Ų | 91 | 104.4 Ų | 104.4 | 48% | 0.476 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.9 | -34.8 | 175.7 | -68.4 | 174 | 0 | 0 | 0 | 112.8 | E59 L61 R67 | E59-L63 WeakPolarHBondContact O-CG 3.42Å; E59-L63 PolarHBondContact O-N 3.38Å; L61-L63 PolarHBondContact O-N 3.35Å; L63-R67 VanDerWaalsContact O-CG 3.31Å; L63-R67 WeakPolarHBondContact O-CG 3.24Å; L63-R67 PolarHBondContact O-N 3.34Å |
| 64 | T | 98.6 | Very high | 98.6 | Very high | 73 Ų | 73 | 105.6 Ų | 105.6 | 45% | 0.448 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.4 | -43 | 176.9 | -55.9 | 0 | 0 | 0 | 0 | 110.9 | R60 L61 L62 D66 R67 L68 | R60-T64 PolarHBondContact O-N 2.92Å; R60-T64 PolarHBondContact O-OG1 2.94Å; L61-T64 WeakPolarHBondContact O-CB 3.46Å; L61-T64 PolarHBondContact O-N 3.43Å; L61-T64 VanDerWaalsContact O-N 3.09Å; L62-T64 PolarHBondContact O-N 3.18Å; T64-D66 VanDerWaalsContact C-N 3.34Å; T64-D66 PolarHBondContact O-N 3.44Å; T64-R67 PolarHBondContact O-N 3.49Å; T64-L68 HydrophobicContact CG2-CD1 4.28Å; T64-L68 WeakPolarHBondContact O-CG 3.43Å; T64-L68 PolarHBondContact O-N 3.25Å |
| 65 | V | 98.8 | Very high | 98.6 | Very high | 66 Ų | 66 | 106 Ų | 106 | 40% | 0.4 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | 176.2 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | L61 L62 L68 H69 | L61-V65 WeakPolarHBondContact O-CG2 3.47Å; L61-V65 PolarHBondContact O-N 3.36Å; L62-V65 WeakPolarHBondContact O-CB 3.42Å; L62-V65 PolarHBondContact O-N 3.02Å; L62-V65 VanDerWaalsContact O-N 3.09Å; V65-L68 PolarHBondContact O-N 2.84Å; V65-H69 WeakPolarHBondContact CG1-CE1 3.34Å; V65-H69 WeakPolarHBondContact CG1-ND1 3.39Å; V65-H69 PolarHBondContact O-N 2.85Å; V65-H69 PolarHBondContact O-ND1 3.2Å |
| 66 | D | 98.8 | Very high | 98.6 | Very high | 96 Ų | 96 | 103.1 Ų | 103.1 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 177.9 | -67.6 | -21.2 | 0 | 0 | 0 | 111.6 | L62 T64 L68 H69 Q70 | L62-D66 PolarHBondContact O-N 2.95Å; T64-D66 VanDerWaalsContact C-N 3.34Å; T64-D66 PolarHBondContact O-N 3.44Å; D66-L68 PolarHBondContact O-N 2.61Å; D66-H69 PolarHBondContact O-N 3.48Å; D66-Q70 PolarHBondContact O-N 2.85Å |
| 67 | R | 98.7 | Very high | 98.6 | Very high | 174 Ų | 174 | 105 Ų | 105 | 66% | 0.657 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.4 | -42.3 | 175.2 | -72 | 174.6 | -173.9 | -174.9 | 2.5 | 112.2 | L63 T64 Q70 T71 | L63-R67 VanDerWaalsContact O-CG 3.31Å; L63-R67 WeakPolarHBondContact O-CG 3.24Å; L63-R67 PolarHBondContact O-N 3.34Å; T64-R67 PolarHBondContact O-N 3.49Å; R67-Q70 PolarHBondContact O-N 3.49Å; R67-T71 PolarHBondContact O-N 2.89Å; R67-T71 PolarHBondContact O-OG1 2.82Å |
| 68 | L | 98.7 | Very high | 98.6 | Very high | 111 Ų | 111 | 104.2 Ų | 104.2 | 58% | 0.581 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.2 | -41.3 | 177.5 | -73.2 | 173.7 | 0 | 0 | 0 | 111.7 | T64 V65 D66 Q70 T71 L72 | T64-L68 HydrophobicContact CG2-CD1 4.28Å; T64-L68 WeakPolarHBondContact O-CG 3.43Å; T64-L68 PolarHBondContact O-N 3.25Å; V65-L68 PolarHBondContact O-N 2.84Å; D66-L68 PolarHBondContact O-N 2.61Å; L68-Q70 VanDerWaalsContact C-N 3.34Å; L68-T71 PolarHBondContact O-N 2.75Å; L68-L72 WeakPolarHBondContact O-CB 3.41Å; L68-L72 PolarHBondContact O-N 2.77Å |
| 69 | H | 98.6 | Very high | 98.7 | Very high | 119 Ų | 119 | 106.4 Ų | 106.4 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.9 | -44.6 | 173.5 | -79.6 | 106 | 0 | 0 | 0 | 111.7 | V65 D66 L72 Q73 | V65-H69 WeakPolarHBondContact CG1-CE1 3.34Å; V65-H69 WeakPolarHBondContact CG1-ND1 3.39Å; V65-H69 PolarHBondContact O-N 2.85Å; V65-H69 PolarHBondContact O-ND1 3.2Å; D66-H69 PolarHBondContact O-N 3.48Å; H69-L72 PolarHBondContact O-N 2.74Å; H69-Q73 WeakPolarHBondContact O-CB 3.35Å; H69-Q73 PolarHBondContact O-N 3.37Å |
| 70 | Q | 98.7 | Very high | 98.6 | Very high | 115 Ų | 115 | 105.6 Ų | 105.6 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.5 | -50 | 177.7 | -176.4 | -178.6 | -3.8 | 0 | 0 | 111.6 | D66 R67 L68 L72 Q73 E74 | D66-Q70 PolarHBondContact O-N 2.85Å; R67-Q70 PolarHBondContact O-N 3.49Å; L68-Q70 VanDerWaalsContact C-N 3.34Å; Q70-L72 VanDerWaalsContact C-N 3.29Å; Q70-L72 PolarHBondContact O-N 3.46Å; Q70-Q73 WeakPolarHBondContact O-CB 3.27Å; Q70-Q73 PolarHBondContact O-N 2.98Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.44Å; Q70-E74 PolarHBondContact NE2-OE1 3.36Å; Q70-E74 WeakPolarHBondContact O-CG 3.25Å; Q70-E74 PolarHBondContact O-N 3.36Å |
| 71 | T | 98.7 | Very high | 98.6 | Very high | 73 Ų | 73 | 104 Ų | 104 | 45% | 0.448 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.2 | -39.2 | 178.3 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | R67 L68 Q73 E74 Q75 | R67-T71 PolarHBondContact O-N 2.89Å; R67-T71 PolarHBondContact O-OG1 2.82Å; L68-T71 PolarHBondContact O-N 2.75Å; T71-Q73 VanDerWaalsContact C-N 3.34Å; T71-E74 PolarHBondContact O-N 3.03Å; T71-Q75 WeakPolarHBondContact O-CB 3.22Å; T71-Q75 VanDerWaalsContact O-CG 3.26Å; T71-Q75 WeakPolarHBondContact O-CG 3.39Å; T71-Q75 PolarHBondContact O-N 3.46Å |
| 72 | L | 98.8 | Very high | 98.6 | Very high | 111 Ų | 111 | 103.3 Ų | 103.3 | 58% | 0.581 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.2 | -40 | 177.3 | -176.2 | 63.2 | 0 | 0 | 0 | 111.6 | L68 H69 Q70 Q75 C76 | L68-L72 WeakPolarHBondContact O-CB 3.41Å; L68-L72 PolarHBondContact O-N 2.77Å; H69-L72 PolarHBondContact O-N 2.74Å; Q70-L72 VanDerWaalsContact C-N 3.29Å; Q70-L72 PolarHBondContact O-N 3.46Å; L72-Q75 PolarHBondContact O-N 2.96Å; L72-C76 PolarHBondContact O-N 3.29Å; L72-C76 PolarHBondContact O-SG 2.95Å; L72-C76 VanDerWaalsContact O-SG 3.39Å |
| 73 | Q | 98.6 | Very high | 98.6 | Very high | 129 Ų | 129 | 103.9 Ų | 103.9 | 60% | 0.603 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.8 | -48.9 | 175.7 | -176.3 | 174.6 | -23.8 | 0 | 0 | 111.3 | H69 Q70 T71 Q75 C76 D77 | H69-Q73 WeakPolarHBondContact O-CB 3.35Å; H69-Q73 PolarHBondContact O-N 3.37Å; Q70-Q73 WeakPolarHBondContact O-CB 3.27Å; Q70-Q73 PolarHBondContact O-N 2.98Å; T71-Q73 VanDerWaalsContact C-N 3.34Å; Q73-Q75 VanDerWaalsContact C-N 3.26Å; Q73-Q75 PolarHBondContact O-N 2.98Å; Q73-C76 WeakPolarHBondContact O-CB 3.23Å; Q73-C76 PolarHBondContact O-N 3.46Å; Q73-D77 PolarHBondContact O-N 2.9Å |
| 74 | E | 98.6 | Very high | 98.6 | Very high | 91 Ų | 91 | 106.5 Ų | 106.5 | 43% | 0.425 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.2 | -40.2 | 176.1 | -69.8 | 168.1 | -173.8 | 0 | 0 | 111.7 | Q70 T71 D77 L78 | Q70-E74 WeakPolarHBondContact CG-OE1 3.44Å; Q70-E74 PolarHBondContact NE2-OE1 3.36Å; Q70-E74 WeakPolarHBondContact O-CG 3.25Å; Q70-E74 PolarHBondContact O-N 3.36Å; T71-E74 PolarHBondContact O-N 3.03Å; E74-D77 PolarHBondContact O-N 2.87Å; E74-L78 WeakPolarHBondContact O-CB 3.36Å; E74-L78 VanDerWaalsContact O-CG 3.29Å; E74-L78 WeakPolarHBondContact O-CG 3.31Å; E74-L78 PolarHBondContact O-N 2.86Å |
| 75 | Q | 98.5 | Very high | 98.6 | Very high | 106 Ų | 106 | 106.9 Ų | 106.9 | 50% | 0.495 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.9 | -39.4 | 175.3 | -74.9 | -69.2 | -36.6 | 0 | 0 | 112.8 | T71 L72 Q73 R79 | T71-Q75 WeakPolarHBondContact O-CB 3.22Å; T71-Q75 VanDerWaalsContact O-CG 3.26Å; T71-Q75 WeakPolarHBondContact O-CG 3.39Å; T71-Q75 PolarHBondContact O-N 3.46Å; L72-Q75 PolarHBondContact O-N 2.96Å; Q73-Q75 VanDerWaalsContact C-N 3.26Å; Q73-Q75 PolarHBondContact O-N 2.98Å; Q75-R79 VanDerWaalsContact O-CG 3.28Å; Q75-R79 WeakPolarHBondContact O-CG 3.28Å; Q75-R79 PolarHBondContact O-N 2.88Å |
| 76 | C | 98.4 | Very high | 98.6 | Very high | 60 Ų | 60 | 111.3 Ų | 111.3 | 41% | 0.405 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 175.1 | -74.2 | 0 | 0 | 0 | 0 | 111.4 | L72 Q73 R79 V80 | L72-C76 PolarHBondContact O-N 3.29Å; L72-C76 PolarHBondContact O-SG 2.95Å; L72-C76 VanDerWaalsContact O-SG 3.39Å; Q73-C76 WeakPolarHBondContact O-CB 3.23Å; Q73-C76 PolarHBondContact O-N 3.46Å; C76-R79 PolarHBondContact O-N 2.83Å; C76-V80 PolarHBondContact O-N 3.11Å; C76-V80 VanDerWaalsContact O-N 3.14Å |
| 77 | D | 98.6 | Very high | 98.6 | Very high | 96 Ų | 96 | 111.8 Ų | 111.8 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 179.1 | -65.8 | -22.5 | 0 | 0 | 0 | 111 | Q73 E74 R79 V80 E81 | Q73-D77 PolarHBondContact O-N 2.9Å; E74-D77 PolarHBondContact O-N 2.87Å; D77-R79 VanDerWaalsContact C-N 3.29Å; D77-R79 PolarHBondContact O-N 3.39Å; D77-V80 PolarHBondContact O-N 3.44Å; D77-E81 PolarHBondContact O-N 3.28Å |
| 78 | L | 98.6 | Very high | 98.6 | Very high | 82 Ų | 82 | 108.3 Ų | 108.3 | 43% | 0.429 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.6 | -34.1 | 176.1 | -73.5 | 173.2 | 0 | 0 | 0 | 113 | E74 N82 | E74-L78 WeakPolarHBondContact O-CB 3.36Å; E74-L78 VanDerWaalsContact O-CG 3.29Å; E74-L78 WeakPolarHBondContact O-CG 3.31Å; E74-L78 PolarHBondContact O-N 2.86Å; L78-N82 WeakPolarHBondContact O-CB 3.32Å; L78-N82 PolarHBondContact O-N 2.97Å; L78-N82 PolarHBondContact O-ND2 2.77Å |
| 79 | R | 98.6 | Very high | 98.6 | Very high | 183 Ų | 183 | 106.5 Ų | 106.5 | 69% | 0.691 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.7 | -39.8 | 176.4 | -78.3 | 179.7 | 70 | -148.3 | -1.4 | 111.9 | Q75 C76 D77 E83 | Q75-R79 VanDerWaalsContact O-CG 3.28Å; Q75-R79 WeakPolarHBondContact O-CG 3.28Å; Q75-R79 PolarHBondContact O-N 2.88Å; C76-R79 PolarHBondContact O-N 2.83Å; D77-R79 VanDerWaalsContact C-N 3.29Å; D77-R79 PolarHBondContact O-N 3.39Å; R79-E83 PolarHBondContact O-N 3.37Å; R79-E83 VanDerWaalsContact O-N 3.11Å |
| 80 | V | 98.6 | Very high | 98.6 | Very high | 107 Ų | 107 | 106.6 Ų | 106.6 | 65% | 0.648 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65 | -45.6 | 176.1 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | C76 D77 E83 K84 | C76-V80 PolarHBondContact O-N 3.11Å; C76-V80 VanDerWaalsContact O-N 3.14Å; D77-V80 PolarHBondContact O-N 3.44Å; V80-E83 PolarHBondContact O-N 3.47Å; V80-K84 PolarHBondContact O-N 3.35Å; V80-K84 VanDerWaalsContact O-N 3.08Å |
| 81 | E | 98.4 | Very high | 98.6 | Very high | 111 Ų | 111 | 105.7 Ų | 105.7 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 177.7 | -173.5 | 174.2 | -166.3 | 0 | 0 | 112.1 | D77 E83 K84 L85 | D77-E81 PolarHBondContact O-N 3.28Å; E81-E83 VanDerWaalsContact C-N 3.32Å; E81-E83 PolarHBondContact O-N 3.37Å; E81-K84 WeakPolarHBondContact O-CB 3.37Å; E81-K84 PolarHBondContact O-N 2.94Å; E81-L85 HydrophobicContact CG-CD1 4.16Å; E81-L85 HydrophobicContact CG-CG 4.46Å; E81-L85 WeakPolarHBondContact O-CG 3.13Å; E81-L85 PolarHBondContact O-N 3.43Å |
| 82 | N | 98.6 | Very high | 98.6 | Very high | 86 Ų | 86 | 106.9 Ų | 106.9 | 46% | 0.46 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.4 | -40.4 | 176.2 | -89.6 | -69.4 | 0 | 0 | 0 | 112.7 | L78 L85 R86 | L78-N82 WeakPolarHBondContact O-CB 3.32Å; L78-N82 PolarHBondContact O-N 2.97Å; L78-N82 PolarHBondContact O-ND2 2.77Å; N82-L85 PolarHBondContact O-N 2.88Å; N82-R86 WeakPolarHBondContact O-CG 3.48Å; N82-R86 PolarHBondContact O-N 3.34Å |
| 83 | E | 98.6 | Very high | 98.6 | Very high | 101 Ų | 101 | 107.7 Ų | 107.7 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 177.8 | -168.4 | 62.1 | -166.4 | 0 | 0 | 111.1 | R79 V80 E81 L85 R86 M87 | R79-E83 PolarHBondContact O-N 3.37Å; R79-E83 VanDerWaalsContact O-N 3.11Å; V80-E83 PolarHBondContact O-N 3.47Å; E81-E83 VanDerWaalsContact C-N 3.32Å; E81-E83 PolarHBondContact O-N 3.37Å; E83-L85 PolarHBondContact O-N 2.91Å; E83-R86 WeakPolarHBondContact O-CB 3.17Å; E83-R86 PolarHBondContact O-N 2.86Å; E83-R86 IonicContact OE2-NH1 3.26Å; E83-M87 PolarHBondContact O-N 3.17Å |
| 84 | K | 98.8 | Very high | 98.6 | Very high | 146 Ų | 146 | 106.5 Ų | 106.5 | 64% | 0.635 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.5 | -46.4 | 174.3 | -174.1 | -173.3 | 174.5 | -168 | 0 | 111.8 | V80 E81 R86 M87 E88 | V80-K84 PolarHBondContact O-N 3.35Å; V80-K84 VanDerWaalsContact O-N 3.08Å; E81-K84 WeakPolarHBondContact O-CB 3.37Å; E81-K84 PolarHBondContact O-N 2.94Å; K84-R86 VanDerWaalsContact C-N 3.31Å; K84-R86 PolarHBondContact O-N 2.89Å; K84-M87 PolarHBondContact O-N 3.08Å; K84-E88 PolarHBondContact O-N 2.91Å |
| 85 | L | 98.8 | Very high | 98.6 | Very high | 82 Ų | 82 | 107.3 Ų | 107.3 | 43% | 0.429 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -36.2 | 178.1 | -72.8 | 172.5 | 0 | 0 | 0 | 112.1 | E81 N82 E83 E88 V89 | E81-L85 HydrophobicContact CG-CD1 4.16Å; E81-L85 HydrophobicContact CG-CG 4.46Å; E81-L85 WeakPolarHBondContact O-CG 3.13Å; E81-L85 PolarHBondContact O-N 3.43Å; N82-L85 PolarHBondContact O-N 2.88Å; E83-L85 PolarHBondContact O-N 2.91Å; L85-E88 PolarHBondContact O-N 3.03Å; L85-V89 WeakPolarHBondContact O-CB 3.36Å; L85-V89 VanDerWaalsContact O-CG2 3.28Å; L85-V89 WeakPolarHBondContact O-CG2 3.41Å; L85-V89 PolarHBondContact O-N 2.94Å |
| 86 | R | 98.8 | Very high | 98.6 | Very high | 158 Ų | 158 | 107.5 Ų | 107.5 | 60% | 0.596 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.9 | -47.3 | 174.8 | -79.6 | 175.3 | 177.6 | 171.5 | -2 | 111.9 | N82 E83 K84 E88 V89 E90 | N82-R86 WeakPolarHBondContact O-CG 3.48Å; N82-R86 PolarHBondContact O-N 3.34Å; E83-R86 WeakPolarHBondContact O-CB 3.17Å; E83-R86 PolarHBondContact O-N 2.86Å; E83-R86 IonicContact OE2-NH1 3.26Å; K84-R86 VanDerWaalsContact C-N 3.31Å; K84-R86 PolarHBondContact O-N 2.89Å; R86-E88 VanDerWaalsContact C-N 3.34Å; R86-E88 PolarHBondContact O-N 3.35Å; R86-V89 PolarHBondContact O-N 3.45Å; R86-E90 PolarHBondContact O-N 2.88Å |
| 87 | M | 98.6 | Very high | 98.6 | Very high | 106 Ų | 106 | 110.4 Ų | 110.4 | 52% | 0.522 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.7 | -46.4 | 176.1 | -70.5 | -177.5 | 59.2 | 0 | 0 | 111.4 | E83 K84 V89 E90 D91 | E83-M87 PolarHBondContact O-N 3.17Å; K84-M87 PolarHBondContact O-N 3.08Å; M87-V89 VanDerWaalsContact C-N 3.32Å; M87-V89 PolarHBondContact O-N 2.93Å; M87-E90 PolarHBondContact O-N 3.28Å; M87-E90 VanDerWaalsContact O-N 3.12Å; M87-D91 PolarHBondContact O-N 3.4Å |
| 88 | E | 98.8 | Very high | 98.6 | Very high | 102 Ų | 102 | 112.5 Ų | 112.5 | 48% | 0.477 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62 | -38.8 | 178.8 | -173.4 | 174.7 | 176.8 | 0 | 0 | 112.3 | K84 L85 R86 L92 | K84-E88 PolarHBondContact O-N 2.91Å; L85-E88 PolarHBondContact O-N 3.03Å; R86-E88 VanDerWaalsContact C-N 3.34Å; R86-E88 PolarHBondContact O-N 3.35Å; E88-L92 HydrophobicContact CG-CD1 4.34Å; E88-L92 WeakPolarHBondContact O-CB 3.33Å; E88-L92 VanDerWaalsContact O-CG 3.28Å; E88-L92 WeakPolarHBondContact O-CG 3.5Å; E88-L92 PolarHBondContact O-N 3.4Å |
| 89 | V | 98.7 | Very high | 98.6 | Very high | 73 Ų | 73 | 112.7 Ų | 112.7 | 44% | 0.442 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.3 | -37.6 | 174.6 | 167.2 | 0 | 0 | 0 | 0 | 111.8 | L85 R86 M87 K93 | L85-V89 WeakPolarHBondContact O-CB 3.36Å; L85-V89 VanDerWaalsContact O-CG2 3.28Å; L85-V89 WeakPolarHBondContact O-CG2 3.41Å; L85-V89 PolarHBondContact O-N 2.94Å; R86-V89 PolarHBondContact O-N 3.45Å; M87-V89 VanDerWaalsContact C-N 3.32Å; M87-V89 PolarHBondContact O-N 2.93Å; V89-K93 HydrophobicContact CG1-CD 4.29Å; V89-K93 VanDerWaalsContact O-CG 3.25Å; V89-K93 WeakPolarHBondContact O-CG 3.36Å; V89-K93 PolarHBondContact O-N 2.95Å; V89-K93 VanDerWaalsContact O-N 3.09Å |
| 90 | E | 98.7 | Very high | 98.6 | Very high | 121 Ų | 121 | 105.9 Ų | 105.9 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.4 | -47.7 | 175.5 | -75.4 | 176.9 | 178.9 | 0 | 0 | 111.2 | R86 M87 L92 K93 E94 | R86-E90 PolarHBondContact O-N 2.88Å; M87-E90 PolarHBondContact O-N 3.28Å; M87-E90 VanDerWaalsContact O-N 3.12Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-L92 PolarHBondContact O-N 2.9Å; E90-K93 WeakPolarHBondContact O-CB 3.47Å; E90-K93 PolarHBondContact O-N 2.89Å; E90-K93 VanDerWaalsContact O-N 3.11Å; E90-E94 PolarHBondContact O-N 3.49Å |
| 91 | D | 98.6 | Very high | 98.6 | Very high | 96 Ų | 96 | 106.2 Ų | 106.2 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.5 | -46 | 176.8 | -71.3 | -22.2 | 0 | 0 | 0 | 111.8 | M87 K93 E94 E95 | M87-D91 PolarHBondContact O-N 3.4Å; D91-K93 VanDerWaalsContact C-N 3.32Å; D91-K93 PolarHBondContact O-N 2.84Å; D91-E94 PolarHBondContact O-N 3.24Å; D91-E95 PolarHBondContact O-N 3.15Å |
| 92 | L | 98.7 | Very high | 98.6 | Very high | 98 Ų | 98 | 103.5 Ų | 103.5 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.9 | -36 | 177.5 | -76.4 | 173.1 | 0 | 0 | 0 | 112.6 | E88 E90 N96 | E88-L92 HydrophobicContact CG-CD1 4.34Å; E88-L92 WeakPolarHBondContact O-CB 3.33Å; E88-L92 VanDerWaalsContact O-CG 3.28Å; E88-L92 WeakPolarHBondContact O-CG 3.5Å; E88-L92 PolarHBondContact O-N 3.4Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-L92 PolarHBondContact O-N 2.9Å; L92-N96 VanDerWaalsContact O-CB 3.23Å; L92-N96 WeakPolarHBondContact O-CB 3.44Å; L92-N96 PolarHBondContact O-N 3.36Å |
| 93 | K | 98.6 | Very high | 98.5 | Very high | 127 Ų | 127 | 101 Ų | 101 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.9 | -47.1 | 175.5 | -79.3 | 170.8 | 179.1 | 176.7 | 0 | 110.9 | V89 E90 D91 E95 N96 E97 | V89-K93 HydrophobicContact CG1-CD 4.29Å; V89-K93 VanDerWaalsContact O-CG 3.25Å; V89-K93 WeakPolarHBondContact O-CG 3.36Å; V89-K93 PolarHBondContact O-N 2.95Å; V89-K93 VanDerWaalsContact O-N 3.09Å; E90-K93 WeakPolarHBondContact O-CB 3.47Å; E90-K93 PolarHBondContact O-N 2.89Å; E90-K93 VanDerWaalsContact O-N 3.11Å; D91-K93 VanDerWaalsContact C-N 3.32Å; D91-K93 PolarHBondContact O-N 2.84Å; K93-E95 PolarHBondContact O-N 3.36Å; K93-N96 PolarHBondContact O-N 3.49Å; K93-E97 WeakPolarHBondContact O-CG 3.35Å; K93-E97 PolarHBondContact O-N 2.89Å |
| 94 | E | 98.6 | Very high | 98.5 | Very high | 104 Ų | 104 | 104.1 Ų | 104.1 | 49% | 0.486 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 178.4 | -68.6 | -171.4 | 176.1 | 0 | 0 | 112.2 | E90 D91 N96 E97 R98 | E90-E94 PolarHBondContact O-N 3.49Å; D91-E94 PolarHBondContact O-N 3.24Å; E94-N96 VanDerWaalsContact C-N 3.33Å; E94-E97 PolarHBondContact O-N 3.35Å; E94-R98 WeakPolarHBondContact O-CB 3.36Å; E94-R98 WeakPolarHBondContact O-CG 3.37Å; E94-R98 PolarHBondContact O-N 3.08Å; E94-R98 PolarHBondContact O-NE 2.95Å; E94-R98 IonicContact OE2-NH2 3.99Å; E94-R98 PolarHBondContact OE2-NH2 3.04Å |
| 95 | E | 98.6 | Very high | 98.5 | Very high | 108 Ų | 108 | 100.4 Ų | 100.4 | 51% | 0.505 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 176.7 | -174.1 | 178.5 | -177.8 | 0 | 0 | 111.7 | D91 K93 R98 T99 | D91-E95 PolarHBondContact O-N 3.15Å; K93-E95 PolarHBondContact O-N 3.36Å; E95-R98 PolarHBondContact O-N 3.38Å; E95-T99 WeakPolarHBondContact O-CB 3.4Å; E95-T99 PolarHBondContact O-N 3.41Å; E95-T99 PolarHBondContact O-OG1 3.32Å |
| 96 | N | 98.4 | Very high | 98.5 | Very high | 111 Ų | 111 | 101.2 Ų | 101.2 | 59% | 0.594 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.7 | -41.2 | 177.2 | -170.5 | 29.5 | 0 | 0 | 0 | 111.7 | L92 K93 E94 T99 A100 | L92-N96 VanDerWaalsContact O-CB 3.23Å; L92-N96 WeakPolarHBondContact O-CB 3.44Å; L92-N96 PolarHBondContact O-N 3.36Å; K93-N96 PolarHBondContact O-N 3.49Å; E94-N96 VanDerWaalsContact C-N 3.33Å; N96-T99 PolarHBondContact O-N 2.9Å; N96-A100 VanDerWaalsContact O-CB 3.23Å; N96-A100 WeakPolarHBondContact O-CB 3.31Å; N96-A100 PolarHBondContact O-N 3.45Å |
| 97 | E | 98.5 | Very high | 98.5 | Very high | 120 Ų | 120 | 97.8 Ų | 97.8 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61 | -49.4 | 174.4 | -76.7 | 178.2 | -177.4 | 0 | 0 | 111.4 | K93 E94 T99 A100 E101 | K93-E97 WeakPolarHBondContact O-CG 3.35Å; K93-E97 PolarHBondContact O-N 2.89Å; E94-E97 PolarHBondContact O-N 3.35Å; E97-T99 VanDerWaalsContact C-N 3.32Å; E97-T99 PolarHBondContact O-N 3.22Å; E97-A100 PolarHBondContact O-N 2.96Å; E97-E101 WeakPolarHBondContact O-CB 3.26Å; E97-E101 WeakPolarHBondContact O-CG 3.38Å; E97-E101 PolarHBondContact O-N 3.33Å |
| 98 | R | 98.3 | Very high | 98.5 | Very high | 140 Ų | 140 | 99.4 Ų | 99.4 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -56.2 | -45.2 | 175.4 | -75.5 | -178.7 | -103.2 | 126.2 | -8.1 | 112 | E94 E95 E101 A102 | E94-R98 WeakPolarHBondContact O-CB 3.36Å; E94-R98 WeakPolarHBondContact O-CG 3.37Å; E94-R98 PolarHBondContact O-N 3.08Å; E94-R98 PolarHBondContact O-NE 2.95Å; E94-R98 IonicContact OE2-NH2 3.99Å; E94-R98 PolarHBondContact OE2-NH2 3.04Å; E95-R98 PolarHBondContact O-N 3.38Å; R98-E101 PolarHBondContact O-N 2.99Å; R98-A102 WeakPolarHBondContact O-CB 3.29Å; R98-A102 PolarHBondContact O-N 3.21Å |
| 99 | T | 98.2 | Very high | 98.5 | Very high | 86 Ų | 86 | 98.8 Ų | 98.8 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 179.5 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | E95 N96 E97 G103 | E95-T99 WeakPolarHBondContact O-CB 3.4Å; E95-T99 PolarHBondContact O-N 3.41Å; E95-T99 PolarHBondContact O-OG1 3.32Å; N96-T99 PolarHBondContact O-N 2.9Å; E97-T99 VanDerWaalsContact C-N 3.32Å; E97-T99 PolarHBondContact O-N 3.22Å; T99-G103 PolarHBondContact O-N 2.87Å |
| 100 | A | 98.4 | Very high | 98.5 | Very high | 40 Ų | 40 | 100 Ų | 100 | 33% | 0.331 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.2 | -35 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N96 E97 R104 | N96-A100 VanDerWaalsContact O-CB 3.23Å; N96-A100 WeakPolarHBondContact O-CB 3.31Å; N96-A100 PolarHBondContact O-N 3.45Å; E97-A100 PolarHBondContact O-N 2.96Å; A100-R104 WeakPolarHBondContact O-CB 3.5Å; A100-R104 VanDerWaalsContact O-CG 3.29Å; A100-R104 WeakPolarHBondContact O-CG 3.21Å; A100-R104 PolarHBondContact O-N 3.48Å; A100-R104 PolarHBondContact O-NE 3.31Å |
| 101 | E | 98.4 | Very high | 98.5 | Very high | 114 Ų | 114 | 99.5 Ų | 99.5 | 53% | 0.533 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.9 | -43.1 | 174.7 | -74.3 | -179.5 | 173 | 0 | 0 | 112.4 | E97 R98 R104 S105 | E97-E101 WeakPolarHBondContact O-CB 3.26Å; E97-E101 WeakPolarHBondContact O-CG 3.38Å; E97-E101 PolarHBondContact O-N 3.33Å; R98-E101 PolarHBondContact O-N 2.99Å; E101-R104 PolarHBondContact O-N 3.44Å; E101-S105 PolarHBondContact O-N 3.45Å; E101-S105 PolarHBondContact O-OG 2.97Å; E101-S105 VanDerWaalsContact O-OG 3.06Å |
| 102 | A | 98.2 | Very high | 98.5 | Very high | 54 Ų | 54 | 98 Ų | 98 | 45% | 0.446 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.4 | -50.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | R98 R104 S105 D106 | R98-A102 WeakPolarHBondContact O-CB 3.29Å; R98-A102 PolarHBondContact O-N 3.21Å; A102-R104 VanDerWaalsContact C-N 3.32Å; A102-R104 PolarHBondContact O-N 3.22Å; A102-S105 WeakPolarHBondContact O-CB 3.48Å; A102-S105 PolarHBondContact O-N 2.97Å; A102-S105 VanDerWaalsContact O-N 3.11Å; A102-D106 PolarHBondContact O-N 2.61Å |
| 103 | G | 98.1 | Very high | 98.4 | Very high | 34 Ų | 34 | 98.3 Ų | 98.3 | 35% | 0.351 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.6 | -37.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T99 D106 V107 | T99-G103 PolarHBondContact O-N 2.87Å; G103-D106 PolarHBondContact O-N 3.04Å; G103-V107 WeakPolarHBondContact O-CG2 3.18Å; G103-V107 PolarHBondContact O-N 2.95Å |
| 104 | R | 98.6 | Very high | 98.4 | Very high | 166 Ų | 166 | 97.4 Ų | 97.4 | 63% | 0.626 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.6 | -42 | 174.2 | -85.4 | -175.5 | -89.6 | -170.1 | -2.5 | 112.1 | A100 E101 A102 V107 Q108 | A100-R104 WeakPolarHBondContact O-CB 3.5Å; A100-R104 VanDerWaalsContact O-CG 3.29Å; A100-R104 WeakPolarHBondContact O-CG 3.21Å; A100-R104 PolarHBondContact O-N 3.48Å; A100-R104 PolarHBondContact O-NE 3.31Å; E101-R104 PolarHBondContact O-N 3.44Å; A102-R104 VanDerWaalsContact C-N 3.32Å; A102-R104 PolarHBondContact O-N 3.22Å; R104-V107 PolarHBondContact O-N 3.09Å; R104-Q108 WeakPolarHBondContact O-CB 3.37Å; R104-Q108 PolarHBondContact O-N 3.44Å |
| 105 | S | 98.3 | Very high | 98.4 | Very high | 68 Ų | 68 | 95.1 Ų | 95.1 | 48% | 0.476 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.8 | -41 | 178.3 | -64.1 | 0 | 0 | 0 | 0 | 111.6 | E101 A102 Q108 L109 | E101-S105 PolarHBondContact O-N 3.45Å; E101-S105 PolarHBondContact O-OG 2.97Å; E101-S105 VanDerWaalsContact O-OG 3.06Å; A102-S105 WeakPolarHBondContact O-CB 3.48Å; A102-S105 PolarHBondContact O-N 2.97Å; A102-S105 VanDerWaalsContact O-N 3.11Å; S105-Q108 PolarHBondContact O-N 3.4Å; S105-L109 WeakPolarHBondContact O-CB 3.37Å; S105-L109 PolarHBondContact O-N 2.96Å |
| 106 | D | 98.4 | Very high | 98.4 | Very high | 100 Ų | 100 | 91.7 Ų | 91.7 | 54% | 0.535 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 175.7 | -72.9 | -15.8 | 0 | 0 | 0 | 112.1 | A102 G103 Q108 L109 L110 | A102-D106 PolarHBondContact O-N 2.61Å; G103-D106 PolarHBondContact O-N 3.04Å; D106-Q108 VanDerWaalsContact C-N 3.35Å; D106-Q108 PolarHBondContact O-N 3.17Å; D106-L109 PolarHBondContact O-N 3.4Å; D106-L110 WeakPolarHBondContact O-CG 3.36Å; D106-L110 PolarHBondContact O-N 3.22Å |
| 107 | V | 98.5 | Very high | 98.4 | Very high | 85 Ų | 85 | 87.9 Ų | 87.9 | 52% | 0.515 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 175.2 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | G103 R104 L109 L110 L111 | G103-V107 WeakPolarHBondContact O-CG2 3.18Å; G103-V107 PolarHBondContact O-N 2.95Å; R104-V107 PolarHBondContact O-N 3.09Å; V107-L109 VanDerWaalsContact C-N 3.34Å; V107-L109 PolarHBondContact O-N 2.86Å; V107-L110 PolarHBondContact O-N 2.95Å; V107-L111 HydrophobicContact CG1-CD1 3.98Å; V107-L111 HydrophobicContact CG1-CG 4.4Å; V107-L111 WeakPolarHBondContact O-CB 3.36Å; V107-L111 VanDerWaalsContact O-CG 3.31Å; V107-L111 WeakPolarHBondContact O-CG 3.44Å; V107-L111 PolarHBondContact O-N 3.06Å |
| 108 | Q | 98.5 | Very high | 98.4 | Very high | 140 Ų | 140 | 88 Ų | 88 | 65% | 0.654 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.7 | -41.8 | 178 | -174.3 | 176.4 | 4.3 | 0 | 0 | 111.8 | R104 S105 D106 L111 S112 | R104-Q108 WeakPolarHBondContact O-CB 3.37Å; R104-Q108 PolarHBondContact O-N 3.44Å; S105-Q108 PolarHBondContact O-N 3.4Å; D106-Q108 VanDerWaalsContact C-N 3.35Å; D106-Q108 PolarHBondContact O-N 3.17Å; Q108-L111 PolarHBondContact O-N 3Å; Q108-S112 PolarHBondContact O-N 2.82Å |
| 109 | L | 98.6 | Very high | 98.4 | Very high | 90 Ų | 90 | 85.2 Ų | 85.2 | 47% | 0.471 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.4 | -49.7 | 175.5 | 179.3 | 63.5 | 0 | 0 | 0 | 110.9 | S105 D106 V107 L111 S112 Q113 | S105-L109 WeakPolarHBondContact O-CB 3.37Å; S105-L109 PolarHBondContact O-N 2.96Å; D106-L109 PolarHBondContact O-N 3.4Å; V107-L109 VanDerWaalsContact C-N 3.34Å; V107-L109 PolarHBondContact O-N 2.86Å; L109-L111 PolarHBondContact O-N 2.9Å; L109-S112 PolarHBondContact O-N 3.4Å; L109-S112 PolarHBondContact O-OG 3.49Å; L109-Q113 HydrophobicContact CD1-CG 4.48Å; L109-Q113 WeakPolarHBondContact O-CG 3.34Å; L109-Q113 PolarHBondContact O-N 3.36Å |
| 110 | L | 98.6 | Very high | 98.5 | Very high | 99 Ų | 99 | 88.6 Ų | 88.6 | 52% | 0.518 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 178.8 | -73.8 | 171.7 | 0 | 0 | 0 | 112.1 | D106 V107 S112 Q113 M114 | D106-L110 WeakPolarHBondContact O-CG 3.36Å; D106-L110 PolarHBondContact O-N 3.22Å; V107-L110 PolarHBondContact O-N 2.95Å; L110-S112 VanDerWaalsContact C-N 3.32Å; L110-S112 PolarHBondContact O-N 3.49Å; L110-Q113 PolarHBondContact O-N 2.98Å; L110-M114 WeakPolarHBondContact O-CB 3.36Å; L110-M114 WeakPolarHBondContact O-CG 3.33Å; L110-M114 PolarHBondContact O-N 3.46Å |
| 111 | L | 98.6 | Very high | 98.5 | Very high | 109 Ų | 109 | 93.1 Ų | 93.1 | 57% | 0.571 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.1 | -42.6 | 175.5 | -73.2 | 172.1 | 0 | 0 | 0 | 111.8 | V107 Q108 L109 Q113 M114 A115 | V107-L111 HydrophobicContact CG1-CD1 3.98Å; V107-L111 HydrophobicContact CG1-CG 4.4Å; V107-L111 WeakPolarHBondContact O-CB 3.36Å; V107-L111 VanDerWaalsContact O-CG 3.31Å; V107-L111 WeakPolarHBondContact O-CG 3.44Å; V107-L111 PolarHBondContact O-N 3.06Å; Q108-L111 PolarHBondContact O-N 3Å; L109-L111 PolarHBondContact O-N 2.9Å; L111-Q113 VanDerWaalsContact C-N 3.35Å; L111-Q113 PolarHBondContact O-N 3.47Å; L111-M114 PolarHBondContact O-N 2.95Å; L111-A115 WeakPolarHBondContact O-CB 3.33Å; L111-A115 PolarHBondContact O-N 3.47Å |
| 112 | S | 98.6 | Very high | 98.5 | Very high | 65 Ų | 65 | 92.2 Ų | 92.2 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 176.9 | 77.3 | 0 | 0 | 0 | 0 | 112.5 | Q108 L109 L110 A116 | Q108-S112 PolarHBondContact O-N 2.82Å; L109-S112 PolarHBondContact O-N 3.4Å; L109-S112 PolarHBondContact O-OG 3.49Å; L110-S112 VanDerWaalsContact C-N 3.32Å; L110-S112 PolarHBondContact O-N 3.49Å; S112-A116 WeakPolarHBondContact O-CB 3.43Å; S112-A116 PolarHBondContact O-N 3.1Å |
| 113 | Q | 98.6 | Very high | 98.5 | Very high | 105 Ų | 105 | 95.7 Ų | 95.7 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.7 | -42.6 | 176.7 | -71.7 | 177 | 0.8 | 0 | 0 | 111.5 | L109 L110 L111 A116 A117 | L109-Q113 HydrophobicContact CD1-CG 4.48Å; L109-Q113 WeakPolarHBondContact O-CG 3.34Å; L109-Q113 PolarHBondContact O-N 3.36Å; L110-Q113 PolarHBondContact O-N 2.98Å; L111-Q113 VanDerWaalsContact C-N 3.35Å; L111-Q113 PolarHBondContact O-N 3.47Å; Q113-A116 PolarHBondContact O-N 2.84Å; Q113-A117 WeakPolarHBondContact O-CB 3.41Å; Q113-A117 PolarHBondContact O-N 2.82Å |
| 114 | M | 98.3 | Very high | 98.5 | Very high | 108 Ų | 108 | 96.5 Ų | 96.5 | 53% | 0.532 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.4 | -49.1 | 175.1 | -75.7 | -173.5 | 62.1 | 0 | 0 | 111.3 | L110 L111 A116 A117 E118 | L110-M114 WeakPolarHBondContact O-CB 3.36Å; L110-M114 WeakPolarHBondContact O-CG 3.33Å; L110-M114 PolarHBondContact O-N 3.46Å; L111-M114 PolarHBondContact O-N 2.95Å; M114-A116 VanDerWaalsContact C-N 3.32Å; M114-A116 PolarHBondContact O-N 2.88Å; M114-A117 WeakPolarHBondContact O-CB 3.37Å; M114-A117 PolarHBondContact O-N 3.34Å; M114-A117 VanDerWaalsContact O-N 3.1Å; M114-E118 WeakPolarHBondContact O-CB 3.48Å; M114-E118 WeakPolarHBondContact O-CG 3.36Å; M114-E118 PolarHBondContact O-N 2.68Å |
| 115 | A | 98.6 | Very high | 98.5 | Very high | 55 Ų | 55 | 92.7 Ų | 92.7 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L111 A117 E118 D119 | L111-A115 WeakPolarHBondContact O-CB 3.33Å; L111-A115 PolarHBondContact O-N 3.47Å; A115-A117 VanDerWaalsContact C-N 3.35Å; A115-A117 PolarHBondContact O-N 2.92Å; A115-E118 PolarHBondContact O-N 3.18Å; A115-D119 WeakPolarHBondContact O-CB 3.49Å; A115-D119 PolarHBondContact O-N 3.33Å |
| 116 | A | 98.5 | Very high | 98.5 | Very high | 36 Ų | 36 | 93.4 Ų | 93.4 | 30% | 0.298 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.3 | -35.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S112 Q113 M114 R120 | S112-A116 WeakPolarHBondContact O-CB 3.43Å; S112-A116 PolarHBondContact O-N 3.1Å; Q113-A116 PolarHBondContact O-N 2.84Å; M114-A116 VanDerWaalsContact C-N 3.32Å; M114-A116 PolarHBondContact O-N 2.88Å; A116-R120 WeakPolarHBondContact O-CG 3.33Å; A116-R120 PolarHBondContact O-N 3.42Å; A116-R120 VanDerWaalsContact O-N 3.09Å |
| 117 | A | 98.6 | Very high | 98.5 | Very high | 32 Ų | 32 | 91.2 Ų | 91.2 | 26% | 0.264 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.5 | -45.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q113 M114 A115 D119 R120 H121 | Q113-A117 WeakPolarHBondContact O-CB 3.41Å; Q113-A117 PolarHBondContact O-N 2.82Å; M114-A117 WeakPolarHBondContact O-CB 3.37Å; M114-A117 PolarHBondContact O-N 3.34Å; M114-A117 VanDerWaalsContact O-N 3.1Å; A115-A117 VanDerWaalsContact C-N 3.35Å; A115-A117 PolarHBondContact O-N 2.92Å; A117-D119 PolarHBondContact O-N 3.47Å; A117-R120 WeakPolarHBondContact O-CB 3.39Å; A117-R120 PolarHBondContact O-N 2.99Å; A117-H121 PolarHBondContact O-CD2 2.91Å; A117-H121 PolarHBondContact O-N 3.44Å |
| 118 | E | 98.6 | Very high | 98.5 | Very high | 123 Ų | 123 | 91.8 Ų | 91.8 | 58% | 0.575 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -57 | -47.8 | 174.9 | -75.3 | 175.3 | -177.4 | 0 | 0 | 111.3 | M114 A115 R120 H121 Q122 | M114-E118 WeakPolarHBondContact O-CB 3.48Å; M114-E118 WeakPolarHBondContact O-CG 3.36Å; M114-E118 PolarHBondContact O-N 2.68Å; A115-E118 PolarHBondContact O-N 3.18Å; E118-R120 PolarHBondContact O-N 2.93Å; E118-H121 PolarHBondContact O-N 3.39Å; E118-Q122 WeakPolarHBondContact O-CB 3.48Å; E118-Q122 PolarHBondContact O-N 3.44Å |
| 119 | D | 98.5 | Very high | 98.5 | Very high | 80 Ų | 80 | 91.6 Ų | 91.6 | 43% | 0.428 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.2 | -39.8 | 177.3 | -178.4 | 38.9 | 0 | 0 | 0 | 112.1 | A115 A117 Q122 R123 | A115-D119 WeakPolarHBondContact O-CB 3.49Å; A115-D119 PolarHBondContact O-N 3.33Å; A117-D119 PolarHBondContact O-N 3.47Å; D119-Q122 PolarHBondContact O-N 3.32Å; D119-R123 VanDerWaalsContact CG-NE 3.31Å; D119-R123 WeakPolarHBondContact O-CB 3.31Å; D119-R123 WeakPolarHBondContact O-CG 3.46Å; D119-R123 PolarHBondContact O-N 2.93Å; D119-R123 PolarHBondContact O-NE 3.48Å; D119-R123 IonicContact OD1-CZ 3.89Å; D119-R123 IonicContact OD1-NE 3Å; D119-R123 PolarHBondContact OD1-NE 3.45Å; D119-R123 VanDerWaalsContact OD1-NE 3.17Å; D119-R123 IonicContact OD2-CZ 3.54Å; D119-R123 IonicContact OD2-NE 3.28Å; D119-R123 PolarHBondContact OD2-NE 2.87Å; D119-R123 IonicContact OD2-NH2 3.25Å; D119-R123 PolarHBondContact OD2-NH2 3.11Å |
| 120 | R | 98.4 | Very high | 98.5 | Very high | 158 Ų | 158 | 92.3 Ų | 92.3 | 60% | 0.596 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.2 | -44.9 | 172.8 | -73.9 | 171.2 | -163.6 | 154.6 | 4.8 | 112 | A116 A117 E118 R123 A124 | A116-R120 WeakPolarHBondContact O-CG 3.33Å; A116-R120 PolarHBondContact O-N 3.42Å; A116-R120 VanDerWaalsContact O-N 3.09Å; A117-R120 WeakPolarHBondContact O-CB 3.39Å; A117-R120 PolarHBondContact O-N 2.99Å; E118-R120 PolarHBondContact O-N 2.93Å; R120-R123 PolarHBondContact O-N 3.45Å; R120-A124 WeakPolarHBondContact O-CB 3.3Å; R120-A124 PolarHBondContact O-N 3.06Å |
| 121 | H | 98.4 | Very high | 98.4 | Very high | 134 Ų | 134 | 93.1 Ų | 93.1 | 62% | 0.62 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.7 | -42.2 | 178.8 | -71.7 | -48 | 0 | 0 | 0 | 111.6 | A117 E118 A124 L125 | A117-H121 PolarHBondContact O-CD2 2.91Å; A117-H121 PolarHBondContact O-N 3.44Å; E118-H121 PolarHBondContact O-N 3.39Å; H121-A124 PolarHBondContact O-N 3.37Å; H121-L125 WeakPolarHBondContact O-CB 3.44Å; H121-L125 PolarHBondContact O-N 3.34Å |
| 122 | Q | 98.6 | Very high | 98.4 | Very high | 95 Ų | 95 | 91 Ų | 91 | 44% | 0.444 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.3 | -49.4 | 176.2 | -176.4 | 61.2 | 23.7 | 0 | 0 | 111.2 | E118 D119 A124 L125 E126 | E118-Q122 WeakPolarHBondContact O-CB 3.48Å; E118-Q122 PolarHBondContact O-N 3.44Å; D119-Q122 PolarHBondContact O-N 3.32Å; Q122-A124 VanDerWaalsContact C-N 3.33Å; Q122-A124 PolarHBondContact O-N 2.97Å; Q122-L125 PolarHBondContact O-N 3.03Å; Q122-E126 PolarHBondContact NE2-OE1 2.94Å; Q122-E126 WeakPolarHBondContact O-CG 3.44Å; Q122-E126 PolarHBondContact O-N 3.36Å |
| 123 | R | 98.4 | Very high | 98.4 | Very high | 127 Ų | 127 | 90.8 Ų | 90.8 | 48% | 0.479 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 176.6 | -74.1 | -174.8 | -91.4 | 107.1 | -13.1 | 112.6 | D119 R120 A127 | D119-R123 VanDerWaalsContact CG-NE 3.31Å; D119-R123 WeakPolarHBondContact O-CB 3.31Å; D119-R123 WeakPolarHBondContact O-CG 3.46Å; D119-R123 PolarHBondContact O-N 2.93Å; D119-R123 PolarHBondContact O-NE 3.48Å; D119-R123 IonicContact OD1-CZ 3.89Å; D119-R123 IonicContact OD1-NE 3Å; D119-R123 PolarHBondContact OD1-NE 3.45Å; D119-R123 VanDerWaalsContact OD1-NE 3.17Å; D119-R123 IonicContact OD2-CZ 3.54Å; D119-R123 IonicContact OD2-NE 3.28Å; D119-R123 PolarHBondContact OD2-NE 2.87Å; D119-R123 IonicContact OD2-NH2 3.25Å; D119-R123 PolarHBondContact OD2-NH2 3.11Å; R120-R123 PolarHBondContact O-N 3.45Å; R123-A127 WeakPolarHBondContact O-CB 3.32Å; R123-A127 PolarHBondContact O-N 2.98Å |
| 124 | A | 98.4 | Very high | 98.3 | Very high | 52 Ų | 52 | 92.8 Ų | 92.8 | 43% | 0.43 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | R120 H121 Q122 A127 V128 | R120-A124 WeakPolarHBondContact O-CB 3.3Å; R120-A124 PolarHBondContact O-N 3.06Å; H121-A124 PolarHBondContact O-N 3.37Å; Q122-A124 VanDerWaalsContact C-N 3.33Å; Q122-A124 PolarHBondContact O-N 2.97Å; A124-A127 PolarHBondContact O-N 2.97Å; A124-V128 WeakPolarHBondContact O-CG2 3.36Å; A124-V128 PolarHBondContact O-N 3.47Å |
| 125 | L | 98.5 | Very high | 98.3 | Very high | 86 Ų | 86 | 92.6 Ų | 92.6 | 45% | 0.45 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 177.8 | -167.7 | 109.5 | 0 | 0 | 0 | 111.5 | H121 Q122 V128 K129 | H121-L125 WeakPolarHBondContact O-CB 3.44Å; H121-L125 PolarHBondContact O-N 3.34Å; Q122-L125 PolarHBondContact O-N 3.03Å; L125-V128 PolarHBondContact O-N 2.8Å; L125-K129 HydrophobicContact CD2-CD 4.25Å; L125-K129 WeakPolarHBondContact O-CG 3.26Å; L125-K129 PolarHBondContact O-N 3.43Å |
| 126 | E | 98.4 | Very high | 98.3 | Very high | 83 Ų | 83 | 94.2 Ų | 94.2 | 39% | 0.388 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 174.9 | -73.2 | 172.9 | -169.6 | 0 | 0 | 112 | Q122 V128 K129 Q130 | Q122-E126 PolarHBondContact NE2-OE1 2.94Å; Q122-E126 WeakPolarHBondContact O-CG 3.44Å; Q122-E126 PolarHBondContact O-N 3.36Å; E126-V128 PolarHBondContact O-N 2.95Å; E126-K129 PolarHBondContact O-N 3.31Å; E126-Q130 WeakPolarHBondContact O-CG 3.36Å; E126-Q130 PolarHBondContact O-N 2.95Å |
| 127 | A | 98.4 | Very high | 98.2 | Very high | 53 Ų | 53 | 97.5 Ų | 97.5 | 44% | 0.438 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R123 A124 Q130 Q131 | R123-A127 WeakPolarHBondContact O-CB 3.32Å; R123-A127 PolarHBondContact O-N 2.98Å; A124-A127 PolarHBondContact O-N 2.97Å; A127-Q130 PolarHBondContact O-N 3.32Å; A127-Q131 WeakPolarHBondContact O-CB 3.4Å; A127-Q131 PolarHBondContact O-N 3.04Å |
| 128 | V | 98.4 | Very high | 98.2 | Very high | 98 Ų | 98 | 102.3 Ų | 102.3 | 59% | 0.594 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.2 | -42.9 | 177 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | A124 L125 E126 Q131 S132 | A124-V128 WeakPolarHBondContact O-CG2 3.36Å; A124-V128 PolarHBondContact O-N 3.47Å; L125-V128 PolarHBondContact O-N 2.8Å; E126-V128 PolarHBondContact O-N 2.95Å; V128-Q131 PolarHBondContact O-N 3.49Å; V128-S132 WeakPolarHBondContact O-CB 3.29Å; V128-S132 PolarHBondContact O-N 3.29Å |
| 129 | K | 98.1 | Very high | 98.2 | Very high | 136 Ų | 136 | 99 Ų | 99 | 59% | 0.591 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60 | -47.1 | 176 | -76.7 | 174.8 | 177.7 | 178.4 | 0 | 111.7 | L125 E126 S132 S133 | L125-K129 HydrophobicContact CD2-CD 4.25Å; L125-K129 WeakPolarHBondContact O-CG 3.26Å; L125-K129 PolarHBondContact O-N 3.43Å; E126-K129 PolarHBondContact O-N 3.31Å; K129-S132 PolarHBondContact O-N 3.21Å; K129-S133 PolarHBondContact O-N 3.44Å |
| 130 | Q | 98.2 | Very high | 98.1 | Very high | 105 Ų | 105 | 101.1 Ų | 101.1 | 49% | 0.491 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 178.4 | -71.7 | 177.3 | 19 | 0 | 0 | 111.7 | E126 A127 S133 R134 | E126-Q130 WeakPolarHBondContact O-CG 3.36Å; E126-Q130 PolarHBondContact O-N 2.95Å; A127-Q130 PolarHBondContact O-N 3.32Å; Q130-S133 PolarHBondContact O-N 3.39Å; Q130-R134 WeakPolarHBondContact O-CG 3.38Å; Q130-R134 PolarHBondContact O-N 2.9Å; Q130-R134 VanDerWaalsContact O-N 3.08Å |
| 131 | Q | 98.3 | Very high | 98.1 | Very high | 115 Ų | 115 | 97.3 Ų | 97.3 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.8 | -46.6 | 178.4 | 179 | 162.5 | -4.7 | 0 | 0 | 111.7 | A127 V128 S133 R134 E135 | A127-Q131 WeakPolarHBondContact O-CB 3.4Å; A127-Q131 PolarHBondContact O-N 3.04Å; V128-Q131 PolarHBondContact O-N 3.49Å; Q131-S133 VanDerWaalsContact C-N 3.3Å; Q131-S133 PolarHBondContact O-N 2.84Å; Q131-R134 PolarHBondContact O-N 3.29Å; Q131-R134 VanDerWaalsContact O-N 3.15Å; Q131-E135 HydrophobicContact CG-CG 4.4Å; Q131-E135 VanDerWaalsContact CG-OE1 3.3Å; Q131-E135 WeakPolarHBondContact CG-OE1 3.38Å; Q131-E135 PolarHBondContact NE2-OE1 2.99Å; Q131-E135 WeakPolarHBondContact O-CG 3.27Å; Q131-E135 PolarHBondContact O-N 3.05Å |
| 132 | S | 97.6 | Very high | 98 | Very high | 64 Ų | 64 | 96.5 Ų | 96.5 | 45% | 0.448 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 176.6 | 178.1 | 0 | 0 | 0 | 0 | 112.1 | V128 K129 E135 V136 | V128-S132 WeakPolarHBondContact O-CB 3.29Å; V128-S132 PolarHBondContact O-N 3.29Å; K129-S132 PolarHBondContact O-N 3.21Å; S132-E135 PolarHBondContact O-N 2.89Å; S132-V136 VanDerWaalsContact O-CG2 3.27Å; S132-V136 WeakPolarHBondContact O-CG2 3.38Å; S132-V136 PolarHBondContact O-N 2.97Å |
| 133 | S | 97.9 | Very high | 98 | Very high | 61 Ų | 61 | 94.5 Ų | 94.5 | 43% | 0.427 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 174.6 | -164.6 | 0 | 0 | 0 | 0 | 111.8 | K129 Q130 Q131 V136 E137 | K129-S133 PolarHBondContact O-N 3.44Å; Q130-S133 PolarHBondContact O-N 3.39Å; Q131-S133 VanDerWaalsContact C-N 3.3Å; Q131-S133 PolarHBondContact O-N 2.84Å; S133-V136 PolarHBondContact O-N 3.37Å; S133-E137 WeakPolarHBondContact O-CG 3.35Å; S133-E137 PolarHBondContact O-N 3.27Å; S133-E137 PolarHBondContact OG-OE1 2.99Å |
| 134 | R | 97.8 | Very high | 97.9 | Very high | 148 Ų | 148 | 93.3 Ų | 93.3 | 56% | 0.558 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.2 | -45 | 178.6 | -69.1 | 175.6 | -168.4 | 167.4 | 6.7 | 112 | Q130 Q131 V136 E137 E138 | Q130-R134 WeakPolarHBondContact O-CG 3.38Å; Q130-R134 PolarHBondContact O-N 2.9Å; Q130-R134 VanDerWaalsContact O-N 3.08Å; Q131-R134 PolarHBondContact O-N 3.29Å; Q131-R134 VanDerWaalsContact O-N 3.15Å; R134-V136 VanDerWaalsContact C-N 3.3Å; R134-V136 PolarHBondContact O-N 2.98Å; R134-E137 PolarHBondContact O-N 3.02Å; R134-E138 WeakPolarHBondContact O-CB 3.4Å; R134-E138 WeakPolarHBondContact O-CG 3.38Å; R134-E138 PolarHBondContact O-N 3.32Å |
| 135 | E | 98 | Very high | 97.9 | Very high | 103 Ų | 103 | 99 Ų | 99 | 48% | 0.481 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 178.3 | -72.6 | 173.2 | -171.2 | 0 | 0 | 111.7 | Q131 S132 A139 | Q131-E135 HydrophobicContact CG-CG 4.4Å; Q131-E135 VanDerWaalsContact CG-OE1 3.3Å; Q131-E135 WeakPolarHBondContact CG-OE1 3.38Å; Q131-E135 PolarHBondContact NE2-OE1 2.99Å; Q131-E135 WeakPolarHBondContact O-CG 3.27Å; Q131-E135 PolarHBondContact O-N 3.05Å; S132-E135 PolarHBondContact O-N 2.89Å; E135-A139 VanDerWaalsContact O-CB 3.26Å; E135-A139 WeakPolarHBondContact O-CB 3.36Å; E135-A139 PolarHBondContact O-N 3.12Å |
| 136 | V | 97.9 | Very high | 97.8 | Very high | 90 Ų | 90 | 100.5 Ų | 100.5 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.9 | -44.7 | 174.9 | 171 | 0 | 0 | 0 | 0 | 111.4 | S132 S133 R134 A139 Q140 | S132-V136 VanDerWaalsContact O-CG2 3.27Å; S132-V136 WeakPolarHBondContact O-CG2 3.38Å; S132-V136 PolarHBondContact O-N 2.97Å; S133-V136 PolarHBondContact O-N 3.37Å; R134-V136 VanDerWaalsContact C-N 3.3Å; R134-V136 PolarHBondContact O-N 2.98Å; V136-A139 PolarHBondContact O-N 3.02Å; V136-Q140 WeakPolarHBondContact O-CB 3.49Å; V136-Q140 PolarHBondContact O-N 3.09Å |
| 137 | E | 97.5 | Very high | 97.7 | Very high | 105 Ų | 105 | 102.4 Ų | 102.4 | 49% | 0.491 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 176.1 | -75.9 | 170.6 | -155.1 | 0 | 0 | 111.7 | S133 R134 Q140 I141 | S133-E137 WeakPolarHBondContact O-CG 3.35Å; S133-E137 PolarHBondContact O-N 3.27Å; S133-E137 PolarHBondContact OG-OE1 2.99Å; R134-E137 PolarHBondContact O-N 3.02Å; E137-Q140 PolarHBondContact O-N 3.11Å; E137-I141 VanDerWaalsContact O-CG1 3.29Å; E137-I141 WeakPolarHBondContact O-CG1 3.42Å; E137-I141 PolarHBondContact O-N 3.38Å |
| 138 | E | 97.8 | Very high | 97.6 | Very high | 132 Ų | 132 | 104.9 Ų | 104.9 | 62% | 0.617 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.2 | -45 | 176.8 | -74.3 | 176.6 | -169.7 | 0 | 0 | 111.6 | R134 Q140 I141 Q142 | R134-E138 WeakPolarHBondContact O-CB 3.4Å; R134-E138 WeakPolarHBondContact O-CG 3.38Å; R134-E138 PolarHBondContact O-N 3.32Å; E138-Q140 VanDerWaalsContact C-N 3.33Å; E138-Q140 PolarHBondContact O-N 3.46Å; E138-I141 PolarHBondContact O-N 3.48Å; E138-Q142 WeakPolarHBondContact O-CB 3.44Å; E138-Q142 PolarHBondContact O-N 3.08Å |
| 139 | A | 97.7 | Very high | 97.6 | Very high | 53 Ų | 53 | 103.1 Ų | 103.1 | 44% | 0.438 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E135 V136 Q142 A143 | E135-A139 VanDerWaalsContact O-CB 3.26Å; E135-A139 WeakPolarHBondContact O-CB 3.36Å; E135-A139 PolarHBondContact O-N 3.12Å; V136-A139 PolarHBondContact O-N 3.02Å; A139-Q142 PolarHBondContact O-N 3.33Å; A139-A143 VanDerWaalsContact O-CB 3.32Å; A139-A143 WeakPolarHBondContact O-CB 3.2Å; A139-A143 PolarHBondContact O-N 3.25Å |
| 140 | Q | 97.4 | Very high | 97.5 | Very high | 125 Ų | 125 | 102.5 Ų | 102.5 | 58% | 0.584 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.7 | -46.3 | 175.9 | -176.8 | 177.5 | -5.3 | 0 | 0 | 111.5 | V136 E137 E138 Q142 A143 Q144 | V136-Q140 WeakPolarHBondContact O-CB 3.49Å; V136-Q140 PolarHBondContact O-N 3.09Å; E137-Q140 PolarHBondContact O-N 3.11Å; E138-Q140 VanDerWaalsContact C-N 3.33Å; E138-Q140 PolarHBondContact O-N 3.46Å; Q140-Q142 VanDerWaalsContact C-N 3.3Å; Q140-Q142 PolarHBondContact O-N 3.45Å; Q140-A143 PolarHBondContact O-N 2.94Å; Q140-Q144 WeakPolarHBondContact O-CB 3.33Å; Q140-Q144 PolarHBondContact O-N 3.43Å |
| 141 | I | 97.4 | Very high | 97.4 | Very high | 78 Ų | 78 | 101.8 Ų | 101.8 | 40% | 0.4 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 175.8 | -69.5 | 165.9 | 0 | 0 | 0 | 110.2 | E137 E138 Q144 R145 | E137-I141 VanDerWaalsContact O-CG1 3.29Å; E137-I141 WeakPolarHBondContact O-CG1 3.42Å; E137-I141 PolarHBondContact O-N 3.38Å; E138-I141 PolarHBondContact O-N 3.48Å; I141-Q144 PolarHBondContact O-N 2.89Å; I141-R145 VanDerWaalsContact O-CG 3.31Å; I141-R145 WeakPolarHBondContact O-CG 3.36Å; I141-R145 PolarHBondContact O-N 3.24Å |
| 142 | Q | 97.7 | Very high | 97.3 | Very high | 118 Ų | 118 | 98.8 Ų | 98.8 | 55% | 0.551 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.4 | -43.9 | 178.8 | -171.4 | 174.6 | 9 | 0 | 0 | 111.9 | E138 A139 Q140 Q144 R145 Q146 | E138-Q142 WeakPolarHBondContact O-CB 3.44Å; E138-Q142 PolarHBondContact O-N 3.08Å; A139-Q142 PolarHBondContact O-N 3.33Å; Q140-Q142 VanDerWaalsContact C-N 3.3Å; Q140-Q142 PolarHBondContact O-N 3.45Å; Q142-Q144 VanDerWaalsContact C-N 3.35Å; Q142-R145 PolarHBondContact O-N 3.39Å; Q142-Q146 WeakPolarHBondContact O-CG 3.37Å; Q142-Q146 PolarHBondContact O-N 3.11Å |
| 143 | A | 97.2 | Very high | 97.3 | Very high | 53 Ų | 53 | 99.8 Ų | 99.8 | 44% | 0.438 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A139 Q140 Q146 M147 | A139-A143 VanDerWaalsContact O-CB 3.32Å; A139-A143 WeakPolarHBondContact O-CB 3.2Å; A139-A143 PolarHBondContact O-N 3.25Å; Q140-A143 PolarHBondContact O-N 2.94Å; A143-Q146 PolarHBondContact O-N 3.41Å; A143-M147 WeakPolarHBondContact O-CB 3.33Å; A143-M147 PolarHBondContact O-N 3.47Å |
| 144 | Q | 97.5 | Very high | 97.2 | Very high | 101 Ų | 101 | 101.1 Ų | 101.1 | 47% | 0.472 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 176 | -176.3 | 173 | -5.9 | 0 | 0 | 111.6 | Q140 I141 Q142 Q146 M147 E148 | Q140-Q144 WeakPolarHBondContact O-CB 3.33Å; Q140-Q144 PolarHBondContact O-N 3.43Å; I141-Q144 PolarHBondContact O-N 2.89Å; Q142-Q144 VanDerWaalsContact C-N 3.35Å; Q144-Q146 VanDerWaalsContact C-N 3.3Å; Q144-Q146 PolarHBondContact O-N 2.98Å; Q144-M147 WeakPolarHBondContact O-CB 3.36Å; Q144-M147 PolarHBondContact O-N 2.92Å; Q144-E148 HydrophobicContact CG-CG 4.5Å; Q144-E148 WeakPolarHBondContact CG-OE1 3.4Å; Q144-E148 PolarHBondContact NE2-OE1 3.18Å; Q144-E148 VanDerWaalsContact NE2-OE1 3.08Å; Q144-E148 WeakPolarHBondContact O-CG 3.5Å; Q144-E148 PolarHBondContact O-N 3.01Å |
| 145 | R | 97.3 | Very high | 97.1 | Very high | 172 Ų | 172 | 100.7 Ų | 100.7 | 65% | 0.649 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.6 | -39.6 | 175 | -73.9 | 175.4 | -175.9 | 168.4 | 4.1 | 112.5 | I141 Q142 A149 | I141-R145 VanDerWaalsContact O-CG 3.31Å; I141-R145 WeakPolarHBondContact O-CG 3.36Å; I141-R145 PolarHBondContact O-N 3.24Å; Q142-R145 PolarHBondContact O-N 3.39Å; R145-A149 WeakPolarHBondContact O-CB 3.4Å; R145-A149 PolarHBondContact O-N 3.32Å |
| 146 | Q | 97.1 | Very high | 97 | Very high | 118 Ų | 118 | 101.5 Ų | 101.5 | 55% | 0.551 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.4 | -40.5 | 176.2 | -74.7 | 179.5 | 6.3 | 0 | 0 | 111.9 | Q142 A143 Q144 A149 K150 | Q142-Q146 WeakPolarHBondContact O-CG 3.37Å; Q142-Q146 PolarHBondContact O-N 3.11Å; A143-Q146 PolarHBondContact O-N 3.41Å; Q144-Q146 VanDerWaalsContact C-N 3.3Å; Q144-Q146 PolarHBondContact O-N 2.98Å; Q146-A149 PolarHBondContact O-N 3.14Å; Q146-K150 WeakPolarHBondContact O-CB 3.36Å; Q146-K150 WeakPolarHBondContact O-CG 3.38Å; Q146-K150 PolarHBondContact O-N 3.2Å |
| 147 | M | 96.7 | Very high | 96.9 | Very high | 122 Ų | 122 | 102.4 Ų | 102.4 | 60% | 0.601 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.5 | -49.8 | 175.4 | -172.2 | -176.2 | -61.4 | 0 | 0 | 110.9 | A143 Q144 A149 K150 D151 | A143-M147 WeakPolarHBondContact O-CB 3.33Å; A143-M147 PolarHBondContact O-N 3.47Å; Q144-M147 WeakPolarHBondContact O-CB 3.36Å; Q144-M147 PolarHBondContact O-N 2.92Å; M147-A149 VanDerWaalsContact C-N 3.32Å; M147-A149 PolarHBondContact O-N 3.04Å; M147-K150 PolarHBondContact O-N 2.83Å; M147-K150 VanDerWaalsContact O-N 3.11Å; M147-D151 PolarHBondContact O-N 3.39Å |
| 148 | E | 96.6 | Very high | 96.8 | Very high | 106 Ų | 106 | 101.5 Ų | 101.5 | 50% | 0.495 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.8 | -41.7 | 177.1 | -72 | 170.8 | -173.8 | 0 | 0 | 112 | Q144 D151 A152 | Q144-E148 HydrophobicContact CG-CG 4.5Å; Q144-E148 WeakPolarHBondContact CG-OE1 3.4Å; Q144-E148 PolarHBondContact NE2-OE1 3.18Å; Q144-E148 VanDerWaalsContact NE2-OE1 3.08Å; Q144-E148 WeakPolarHBondContact O-CG 3.5Å; Q144-E148 PolarHBondContact O-N 3.01Å; E148-D151 PolarHBondContact O-N 3.01Å; E148-A152 WeakPolarHBondContact O-CB 3.38Å; E148-A152 PolarHBondContact O-N 3.38Å |
| 149 | A | 97.3 | Very high | 96.7 | Very high | 61 Ų | 61 | 99.4 Ų | 99.4 | 50% | 0.504 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R145 Q146 M147 A152 E153 | R145-A149 WeakPolarHBondContact O-CB 3.4Å; R145-A149 PolarHBondContact O-N 3.32Å; Q146-A149 PolarHBondContact O-N 3.14Å; M147-A149 VanDerWaalsContact C-N 3.32Å; M147-A149 PolarHBondContact O-N 3.04Å; A149-A152 PolarHBondContact O-N 3.05Å; A149-E153 PolarHBondContact O-N 2.98Å |
| 150 | K | 96.4 | Very high | 96.6 | Very high | 123 Ų | 123 | 101 Ų | 101 | 54% | 0.535 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.2 | -40.1 | 176.9 | -77.6 | -73.6 | 163.4 | -158.9 | 0 | 112.1 | Q146 M147 A152 E153 V154 | Q146-K150 WeakPolarHBondContact O-CB 3.36Å; Q146-K150 WeakPolarHBondContact O-CG 3.38Å; Q146-K150 PolarHBondContact O-N 3.2Å; M147-K150 PolarHBondContact O-N 2.83Å; M147-K150 VanDerWaalsContact O-N 3.11Å; K150-A152 VanDerWaalsContact C-N 3.34Å; K150-E153 IonicContact NZ-OE2 2.79Å; K150-E153 PolarHBondContact NZ-OE2 2.94Å; K150-E153 PolarHBondContact O-N 2.97Å; K150-V154 WeakPolarHBondContact O-CG2 3.49Å; K150-V154 PolarHBondContact O-N 3.18Å |
| 151 | D | 96.1 | Very high | 96.6 | Very high | 89 Ų | 89 | 100.5 Ų | 100.5 | 48% | 0.476 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 174.8 | -74.5 | -18.9 | 0 | 0 | 0 | 111.3 | M147 E148 V154 Q155 | M147-D151 PolarHBondContact O-N 3.39Å; E148-D151 PolarHBondContact O-N 3.01Å; D151-V154 PolarHBondContact O-N 2.97Å; D151-Q155 WeakPolarHBondContact O-CB 3.4Å; D151-Q155 WeakPolarHBondContact O-CG 3.31Å; D151-Q155 PolarHBondContact O-N 3.01Å |
| 152 | A | 96.9 | Very high | 96.5 | Very high | 53 Ų | 53 | 101.1 Ų | 101.1 | 44% | 0.438 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E148 A149 K150 Q155 Q156 | E148-A152 WeakPolarHBondContact O-CB 3.38Å; E148-A152 PolarHBondContact O-N 3.38Å; A149-A152 PolarHBondContact O-N 3.05Å; K150-A152 VanDerWaalsContact C-N 3.34Å; A152-Q155 PolarHBondContact O-N 3.29Å; A152-Q156 WeakPolarHBondContact O-CB 3.48Å; A152-Q156 PolarHBondContact O-N 2.89Å |
| 153 | E | 96.4 | Very high | 96.4 | Very high | 85 Ų | 85 | 100.7 Ų | 100.7 | 40% | 0.397 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 175.5 | -171.1 | -177.2 | 179.5 | 0 | 0 | 111.4 | A149 K150 Q156 Q157 | A149-E153 PolarHBondContact O-N 2.98Å; K150-E153 IonicContact NZ-OE2 2.79Å; K150-E153 PolarHBondContact NZ-OE2 2.94Å; K150-E153 PolarHBondContact O-N 2.97Å; E153-Q156 PolarHBondContact O-N 3.45Å; E153-Q157 WeakPolarHBondContact O-CG 3.41Å; E153-Q157 PolarHBondContact O-N 3.32Å |
| 154 | V | 96.8 | Very high | 96.4 | Very high | 89 Ų | 89 | 106.3 Ų | 106.3 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 176.5 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | K150 D151 Q157 L158 | K150-V154 WeakPolarHBondContact O-CG2 3.49Å; K150-V154 PolarHBondContact O-N 3.18Å; D151-V154 PolarHBondContact O-N 2.97Å; V154-Q157 PolarHBondContact O-N 2.92Å; V154-L158 WeakPolarHBondContact O-CB 3.38Å; V154-L158 PolarHBondContact O-N 3.48Å |
| 155 | Q | 95.9 | Very high | 96.2 | Very high | 138 Ų | 138 | 106.8 Ų | 106.8 | 65% | 0.645 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.9 | -43.5 | 175.6 | -76.8 | -179.2 | 1.9 | 0 | 0 | 111.9 | D151 A152 L158 E159 | D151-Q155 WeakPolarHBondContact O-CB 3.4Å; D151-Q155 WeakPolarHBondContact O-CG 3.31Å; D151-Q155 PolarHBondContact O-N 3.01Å; A152-Q155 PolarHBondContact O-N 3.29Å; Q155-L158 PolarHBondContact O-N 2.99Å; Q155-E159 PolarHBondContact O-N 2.92Å |
| 156 | Q | 95.9 | Very high | 96.2 | Very high | 121 Ų | 121 | 105 Ų | 105 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.5 | -47.6 | 176.8 | -173.8 | -179.8 | -12.6 | 0 | 0 | 111.3 | A152 E153 L158 E159 E160 | A152-Q156 WeakPolarHBondContact O-CB 3.48Å; A152-Q156 PolarHBondContact O-N 2.89Å; E153-Q156 PolarHBondContact O-N 3.45Å; Q156-L158 VanDerWaalsContact C-N 3.3Å; Q156-L158 PolarHBondContact O-N 3.36Å; Q156-E159 PolarHBondContact O-N 3.44Å; Q156-E160 PolarHBondContact NE2-OE1 2.89Å; Q156-E160 VanDerWaalsContact NE2-OE1 3.15Å; Q156-E160 WeakPolarHBondContact O-CG 3.34Å; Q156-E160 PolarHBondContact O-N 3.28Å |
| 157 | Q | 95.6 | Very high | 96.1 | Very high | 109 Ų | 109 | 103.2 Ų | 103.2 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.6 | -40.4 | 176.6 | -73 | 179.9 | 5 | 0 | 0 | 112.3 | E153 V154 E160 M161 | E153-Q157 WeakPolarHBondContact O-CG 3.41Å; E153-Q157 PolarHBondContact O-N 3.32Å; V154-Q157 PolarHBondContact O-N 2.92Å; Q157-E160 PolarHBondContact O-N 3.22Å; Q157-M161 WeakPolarHBondContact O-CB 3.46Å; Q157-M161 PolarHBondContact O-N 3.09Å |
| 158 | L | 96.1 | Very high | 96 | Very high | 86 Ų | 86 | 102.9 Ų | 102.9 | 45% | 0.45 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 176.7 | -177 | 66.5 | 0 | 0 | 0 | 111.5 | V154 Q155 Q156 M161 K162 | V154-L158 WeakPolarHBondContact O-CB 3.38Å; V154-L158 PolarHBondContact O-N 3.48Å; Q155-L158 PolarHBondContact O-N 2.99Å; Q156-L158 VanDerWaalsContact C-N 3.3Å; Q156-L158 PolarHBondContact O-N 3.36Å; L158-M161 PolarHBondContact O-N 3.36Å; L158-K162 WeakPolarHBondContact O-CG 3.48Å; L158-K162 PolarHBondContact O-N 3.32Å |
| 159 | E | 95.7 | Very high | 95.8 | Very high | 88 Ų | 88 | 102.8 Ų | 102.8 | 41% | 0.411 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.5 | -40.4 | 179.3 | -158 | 59.9 | -155 | 0 | 0 | 111.8 | Q155 Q156 M161 K162 M163 | Q155-E159 PolarHBondContact O-N 2.92Å; Q156-E159 PolarHBondContact O-N 3.44Å; E159-M161 VanDerWaalsContact C-N 3.31Å; E159-M161 PolarHBondContact O-N 3.2Å; E159-K162 PolarHBondContact O-N 3.49Å; E159-K162 WeakPolarHBondContact OE2-CD 3.43Å; E159-K162 IonicContact OE2-NZ 2.65Å; E159-K162 PolarHBondContact OE2-NZ 2.97Å; E159-M163 WeakPolarHBondContact O-CG 3.32Å; E159-M163 PolarHBondContact O-N 3.3Å |
| 160 | E | 95.6 | Very high | 95.7 | Very high | 86 Ų | 86 | 106.1 Ų | 106.1 | 40% | 0.402 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.9 | -43.9 | 170.3 | -74.3 | -179.9 | -163.7 | 0 | 0 | 111.6 | Q156 Q157 M163 R164 | Q156-E160 PolarHBondContact NE2-OE1 2.89Å; Q156-E160 VanDerWaalsContact NE2-OE1 3.15Å; Q156-E160 WeakPolarHBondContact O-CG 3.34Å; Q156-E160 PolarHBondContact O-N 3.28Å; Q157-E160 PolarHBondContact O-N 3.22Å; E160-M163 PolarHBondContact O-N 2.91Å; E160-R164 WeakPolarHBondContact O-CG 3.46Å; E160-R164 PolarHBondContact O-N 3.37Å |
| 161 | M | 95.6 | Very high | 95.6 | Very high | 114 Ų | 114 | 105.1 Ų | 105.1 | 56% | 0.562 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.8 | -43.6 | 176.7 | -166.1 | -178.6 | 92.4 | 0 | 0 | 111.5 | Q157 L158 E159 M163 R164 M165 | Q157-M161 WeakPolarHBondContact O-CB 3.46Å; Q157-M161 PolarHBondContact O-N 3.09Å; L158-M161 PolarHBondContact O-N 3.36Å; E159-M161 VanDerWaalsContact C-N 3.31Å; E159-M161 PolarHBondContact O-N 3.2Å; M161-M163 VanDerWaalsContact C-N 3.34Å; M161-M163 PolarHBondContact O-N 2.97Å; M161-R164 PolarHBondContact O-N 3.46Å; M161-M165 WeakPolarHBondContact O-CG 3.47Å; M161-M165 PolarHBondContact O-N 3.25Å |
| 162 | K | 95.3 | Very high | 95.5 | Very high | 91 Ų | 91 | 108.4 Ų | 108.4 | 40% | 0.396 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 174.9 | -73.9 | 178.8 | -160.6 | 154.7 | 0 | 112.3 | L158 E159 M165 K166 | L158-K162 WeakPolarHBondContact O-CG 3.48Å; L158-K162 PolarHBondContact O-N 3.32Å; E159-K162 PolarHBondContact O-N 3.49Å; E159-K162 WeakPolarHBondContact OE2-CD 3.43Å; E159-K162 IonicContact OE2-NZ 2.65Å; E159-K162 PolarHBondContact OE2-NZ 2.97Å; K162-M165 PolarHBondContact O-N 2.92Å; K162-K166 WeakPolarHBondContact O-CG 3.39Å; K162-K166 PolarHBondContact O-N 3.38Å |
| 163 | M | 96.6 | Very high | 95.3 | Very high | 109 Ų | 109 | 111 Ų | 111 | 54% | 0.537 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 178 | -72.5 | -59.4 | -67.7 | 0 | 0 | 111.5 | E159 E160 M161 M165 K166 E167 | E159-M163 WeakPolarHBondContact O-CG 3.32Å; E159-M163 PolarHBondContact O-N 3.3Å; E160-M163 PolarHBondContact O-N 2.91Å; M161-M163 VanDerWaalsContact C-N 3.34Å; M161-M163 PolarHBondContact O-N 2.97Å; M163-M165 PolarHBondContact O-N 3.09Å; M163-K166 PolarHBondContact O-N 3.17Å; M163-K166 HydrophobicContact SD-CD 4.39Å; M163-E167 PolarHBondContact O-N 2.94Å |
| 164 | R | 96.3 | Very high | 95.2 | Very high | 172 Ų | 172 | 109.2 Ų | 109.2 | 65% | 0.649 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.2 | -43.7 | 173 | -71.7 | -178.7 | -172.1 | 163.7 | 7.8 | 112.2 | E160 M161 K166 E167 Q168 | E160-R164 WeakPolarHBondContact O-CG 3.46Å; E160-R164 PolarHBondContact O-N 3.37Å; M161-R164 PolarHBondContact O-N 3.46Å; R164-K166 PolarHBondContact O-N 3.45Å; R164-E167 PolarHBondContact O-N 3.06Å; R164-Q168 WeakPolarHBondContact O-CG 3.23Å; R164-Q168 PolarHBondContact O-N 2.65Å |
| 165 | M | 95.2 | Very high | 95 | Very high | 111 Ų | 111 | 109.4 Ų | 109.4 | 55% | 0.547 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 176.7 | -73.9 | -64.9 | -63.5 | 0 | 0 | 112 | M161 K162 M163 Q168 E169 | M161-M165 WeakPolarHBondContact O-CG 3.47Å; M161-M165 PolarHBondContact O-N 3.25Å; K162-M165 PolarHBondContact O-N 2.92Å; M163-M165 PolarHBondContact O-N 3.09Å; M165-Q168 PolarHBondContact O-N 3.26Å; M165-E169 WeakPolarHBondContact O-CB 3.35Å; M165-E169 PolarHBondContact O-N 3.14Å |
| 166 | K | 95.7 | Very high | 94.9 | Very high | 135 Ų | 135 | 108.3 Ų | 108.3 | 59% | 0.587 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.7 | -41.7 | 175.4 | -75.5 | 177 | -179.4 | 173.2 | 0 | 112.2 | K162 M163 R164 E169 R170 | K162-K166 WeakPolarHBondContact O-CG 3.39Å; K162-K166 PolarHBondContact O-N 3.38Å; M163-K166 PolarHBondContact O-N 3.17Å; M163-K166 HydrophobicContact SD-CD 4.39Å; R164-K166 PolarHBondContact O-N 3.45Å; K166-E169 PolarHBondContact O-N 3.26Å; K166-R170 WeakPolarHBondContact O-CB 3.42Å; K166-R170 PolarHBondContact O-N 3.28Å |
| 167 | E | 94.8 | Very high | 94.8 | Very high | 80 Ų | 80 | 107.2 Ų | 107.2 | 37% | 0.374 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.6 | -44.6 | 178 | -171.4 | 58.3 | -152.6 | 0 | 0 | 111.4 | M163 R164 E169 R170 E171 | M163-E167 PolarHBondContact O-N 2.94Å; R164-E167 PolarHBondContact O-N 3.06Å; E167-E169 VanDerWaalsContact C-N 3.3Å; E167-E169 PolarHBondContact O-N 2.94Å; E167-R170 WeakPolarHBondContact O-CB 3.38Å; E167-R170 PolarHBondContact O-N 2.95Å; E167-R170 VanDerWaalsContact O-N 3.11Å; E167-R170 IonicContact OE1-CZ 3.44Å; E167-R170 VanDerWaalsContact OE1-CZ 3.28Å; E167-R170 IonicContact OE1-NE 3.79Å; E167-R170 PolarHBondContact OE1-NE 3.19Å; E167-R170 IonicContact OE1-NH2 2.71Å; E167-R170 PolarHBondContact OE1-NH2 3Å; E167-R170 IonicContact OE2-NE 3.17Å; E167-R170 PolarHBondContact OE2-NE 3.21Å; E167-E171 WeakPolarHBondContact O-CG 3.23Å; E167-E171 PolarHBondContact O-N 2.93Å |
| 168 | Q | 95 | Very high | 94.7 | Very high | 115 Ų | 115 | 108.7 Ų | 108.7 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.5 | -41.3 | 174.4 | -77.3 | -173 | -17.4 | 0 | 0 | 112.4 | R164 M165 E171 R172 | R164-Q168 WeakPolarHBondContact O-CG 3.23Å; R164-Q168 PolarHBondContact O-N 2.65Å; M165-Q168 PolarHBondContact O-N 3.26Å; Q168-E171 PolarHBondContact O-N 2.91Å; Q168-R172 WeakPolarHBondContact O-CB 3.25Å; Q168-R172 WeakPolarHBondContact O-CG 3.37Å; Q168-R172 PolarHBondContact O-N 3.09Å |
| 169 | E | 92.9 | Very high | 94.6 | Very high | 104 Ų | 104 | 110 Ų | 110 | 49% | 0.486 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 175.5 | -175.5 | 57.8 | -146.7 | 0 | 0 | 111.2 | M165 K166 E167 R172 Q173 | M165-E169 WeakPolarHBondContact O-CB 3.35Å; M165-E169 PolarHBondContact O-N 3.14Å; K166-E169 PolarHBondContact O-N 3.26Å; E167-E169 VanDerWaalsContact C-N 3.3Å; E167-E169 PolarHBondContact O-N 2.94Å; E169-R172 PolarHBondContact O-N 2.81Å; E169-Q173 WeakPolarHBondContact O-CB 3.29Å; E169-Q173 VanDerWaalsContact O-CG 3.24Å; E169-Q173 WeakPolarHBondContact O-CG 3.36Å; E169-Q173 PolarHBondContact O-N 3.48Å; E169-Q173 PolarHBondContact OE1-NE2 3.34Å |
| 170 | R | 94.8 | Very high | 94.3 | Very high | 130 Ų | 130 | 111.6 Ų | 111.6 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 175.5 | -164.7 | -167 | 73.9 | 76.5 | 3.5 | 112.1 | K166 E167 Q173 S174 | K166-R170 WeakPolarHBondContact O-CB 3.42Å; K166-R170 PolarHBondContact O-N 3.28Å; E167-R170 WeakPolarHBondContact O-CB 3.38Å; E167-R170 PolarHBondContact O-N 2.95Å; E167-R170 VanDerWaalsContact O-N 3.11Å; E167-R170 IonicContact OE1-CZ 3.44Å; E167-R170 VanDerWaalsContact OE1-CZ 3.28Å; E167-R170 IonicContact OE1-NE 3.79Å; E167-R170 PolarHBondContact OE1-NE 3.19Å; E167-R170 IonicContact OE1-NH2 2.71Å; E167-R170 PolarHBondContact OE1-NH2 3Å; E167-R170 IonicContact OE2-NE 3.17Å; E167-R170 PolarHBondContact OE2-NE 3.21Å; R170-Q173 PolarHBondContact O-N 2.95Å; R170-S174 WeakPolarHBondContact O-CB 3.49Å; R170-S174 PolarHBondContact O-N 3.44Å; R170-S174 PolarHBondContact O-OG 3.5Å |
| 171 | E | 93.9 | Very high | 94.1 | Very high | 103 Ų | 103 | 113.8 Ų | 113.8 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.4 | -49.2 | 174.4 | -74.3 | -179.2 | 165.5 | 0 | 0 | 111 | E167 Q168 Q173 S174 E175 | E167-E171 WeakPolarHBondContact O-CG 3.23Å; E167-E171 PolarHBondContact O-N 2.93Å; Q168-E171 PolarHBondContact O-N 2.91Å; E171-Q173 VanDerWaalsContact C-N 3.33Å; E171-Q173 PolarHBondContact O-N 3.39Å; E171-S174 CarbonylContact O-C 3.59Å; E171-S174 WeakPolarHBondContact O-CB 3.28Å; E171-S174 PolarHBondContact O-N 2.97Å; E171-S174 VanDerWaalsContact O-N 3.09Å; E171-E175 WeakPolarHBondContact O-CG 3.39Å; E171-E175 PolarHBondContact O-N 3.25Å |
| 172 | R | 94.5 | Very high | 93.9 | Very high | 157 Ų | 157 | 113.7 Ų | 113.7 | 59% | 0.592 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -55.9 | -44.7 | 174 | -85 | -112.4 | 77.6 | 105.8 | 14.2 | 112.4 | Q168 E169 S174 E175 M176 | Q168-R172 WeakPolarHBondContact O-CB 3.25Å; Q168-R172 WeakPolarHBondContact O-CG 3.37Å; Q168-R172 PolarHBondContact O-N 3.09Å; E169-R172 PolarHBondContact O-N 2.81Å; R172-S174 VanDerWaalsContact C-N 3.35Å; R172-E175 IonicContact CZ-OE2 2.61Å; R172-E175 IonicContact NE-OE2 3.04Å; R172-E175 IonicContact NH2-OE2 3.96Å; R172-E175 PolarHBondContact NH2-OE2 3.39Å; R172-E175 PolarHBondContact O-N 3.46Å; R172-M176 WeakPolarHBondContact O-CB 3.42Å; R172-M176 PolarHBondContact O-N 3.39Å |
| 173 | Q | 93.2 | Very high | 93.6 | Very high | 108 Ų | 108 | 115.9 Ų | 115.9 | 51% | 0.505 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 176.2 | -73.3 | 175.2 | 9.8 | 0 | 0 | 111.6 | E169 R170 E171 M176 L177 | E169-Q173 WeakPolarHBondContact O-CB 3.29Å; E169-Q173 VanDerWaalsContact O-CG 3.24Å; E169-Q173 WeakPolarHBondContact O-CG 3.36Å; E169-Q173 PolarHBondContact O-N 3.48Å; E169-Q173 PolarHBondContact OE1-NE2 3.34Å; R170-Q173 PolarHBondContact O-N 2.95Å; E171-Q173 VanDerWaalsContact C-N 3.33Å; E171-Q173 PolarHBondContact O-N 3.39Å; Q173-M176 WeakPolarHBondContact O-CB 3.49Å; Q173-M176 PolarHBondContact O-N 3.22Å; Q173-L177 PolarHBondContact O-N 3.35Å |
| 174 | S | 93.9 | Very high | 93.2 | Very high | 47 Ų | 47 | 112.3 Ų | 112.3 | 33% | 0.329 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 176 | -59.7 | 0 | 0 | 0 | 0 | 112 | R170 E171 R172 L177 K178 | R170-S174 WeakPolarHBondContact O-CB 3.49Å; R170-S174 PolarHBondContact O-N 3.44Å; R170-S174 PolarHBondContact O-OG 3.5Å; E171-S174 CarbonylContact O-C 3.59Å; E171-S174 WeakPolarHBondContact O-CB 3.28Å; E171-S174 PolarHBondContact O-N 2.97Å; E171-S174 VanDerWaalsContact O-N 3.09Å; R172-S174 VanDerWaalsContact C-N 3.35Å; S174-L177 PolarHBondContact O-N 3.34Å; S174-K178 PolarHBondContact O-N 2.83Å |
| 175 | E | 93.4 | Very high | 92.6 | Very high | 93 Ų | 93 | 106.2 Ų | 106.2 | 44% | 0.435 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 171.3 | -73 | -178.7 | 168.4 | 0 | 0 | 111.4 | E171 R172 L177 K178 L179 | E171-E175 WeakPolarHBondContact O-CG 3.39Å; E171-E175 PolarHBondContact O-N 3.25Å; R172-E175 IonicContact CZ-OE2 2.61Å; R172-E175 IonicContact NE-OE2 3.04Å; R172-E175 IonicContact NH2-OE2 3.96Å; R172-E175 PolarHBondContact NH2-OE2 3.39Å; R172-E175 PolarHBondContact O-N 3.46Å; E175-L177 VanDerWaalsContact C-N 3.3Å; E175-L177 PolarHBondContact O-N 3.04Å; E175-K178 WeakPolarHBondContact O-CB 3.33Å; E175-K178 PolarHBondContact O-N 3.45Å; E175-K178 VanDerWaalsContact O-N 3.16Å; E175-L179 WeakPolarHBondContact O-CD1 3.48Å; E175-L179 PolarHBondContact O-N 3.03Å |
| 176 | M | 93.9 | Very high | 92.1 | Very high | 116 Ų | 116 | 107.3 Ų | 107.3 | 57% | 0.571 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -57.3 | -45 | 177.2 | -175.5 | -178.7 | -63.4 | 0 | 0 | 111 | R172 Q173 L179 Q180 | R172-M176 WeakPolarHBondContact O-CB 3.42Å; R172-M176 PolarHBondContact O-N 3.39Å; Q173-M176 WeakPolarHBondContact O-CB 3.49Å; Q173-M176 PolarHBondContact O-N 3.22Å; M176-L179 PolarHBondContact O-N 3.44Å; M176-Q180 WeakPolarHBondContact O-CB 3.33Å; M176-Q180 WeakPolarHBondContact O-CG 3.28Å; M176-Q180 PolarHBondContact O-N 3.29Å |
| 177 | L | 93.6 | Very high | 91.4 | Very high | 98 Ų | 98 | 105.3 Ų | 105.3 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 175.7 | -176.9 | 64.8 | 0 | 0 | 0 | 112 | Q173 S174 E175 Q180 M181 | Q173-L177 PolarHBondContact O-N 3.35Å; S174-L177 PolarHBondContact O-N 3.34Å; E175-L177 VanDerWaalsContact C-N 3.3Å; E175-L177 PolarHBondContact O-N 3.04Å; L177-Q180 WeakPolarHBondContact O-CB 3.47Å; L177-Q180 PolarHBondContact O-N 3.08Å; L177-M181 WeakPolarHBondContact O-CG 3.41Å; L177-M181 PolarHBondContact O-N 2.96Å |
| 178 | K | 93.3 | Very high | 90.6 | Very high | 140 Ų | 140 | 103.5 Ų | 103.5 | 61% | 0.609 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.5 | -48.6 | 173.8 | -83.3 | -179.2 | 178.7 | 175.3 | 0 | 111.6 | S174 E175 Q180 M181 E182 | S174-K178 PolarHBondContact O-N 2.83Å; E175-K178 WeakPolarHBondContact O-CB 3.33Å; E175-K178 PolarHBondContact O-N 3.45Å; E175-K178 VanDerWaalsContact O-N 3.16Å; K178-Q180 VanDerWaalsContact C-N 3.3Å; K178-Q180 PolarHBondContact O-N 3.19Å; K178-M181 PolarHBondContact O-N 2.91Å; K178-M181 VanDerWaalsContact O-N 3.16Å; K178-E182 WeakPolarHBondContact O-CG 3.28Å; K178-E182 PolarHBondContact O-N 3.35Å |
| 179 | L | 93.7 | Very high | 89.6 | Confident | 114 Ų | 114 | 106.6 Ų | 106.6 | 60% | 0.597 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60 | -42 | 176.8 | -92.6 | 80.1 | 0 | 0 | 0 | 111.1 | E175 M176 E182 F183 | E175-L179 WeakPolarHBondContact O-CD1 3.48Å; E175-L179 PolarHBondContact O-N 3.03Å; M176-L179 PolarHBondContact O-N 3.44Å; L179-E182 PolarHBondContact O-N 3Å; L179-F183 VanDerWaalsContact O-CB 3.22Å; L179-F183 WeakPolarHBondContact O-CB 3.47Å; L179-F183 PolarHBondContact O-N 2.94Å |
| 180 | Q | 89.7 | Confident | 88.6 | Confident | 121 Ų | 121 | 106 Ų | 106 | 57% | 0.565 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.6 | -44.7 | 173.8 | -76.5 | 177 | -8.1 | 0 | 0 | 111.9 | M176 L177 K178 F183 G184 | M176-Q180 WeakPolarHBondContact O-CB 3.33Å; M176-Q180 WeakPolarHBondContact O-CG 3.28Å; M176-Q180 PolarHBondContact O-N 3.29Å; L177-Q180 WeakPolarHBondContact O-CB 3.47Å; L177-Q180 PolarHBondContact O-N 3.08Å; K178-Q180 VanDerWaalsContact C-N 3.3Å; K178-Q180 PolarHBondContact O-N 3.19Å; Q180-F183 PolarHBondContact O-N 3.06Å; Q180-G184 PolarHBondContact O-N 2.89Å |
| 181 | M | 91.2 | Very high | 87.2 | Confident | 131 Ų | 131 | 106.1 Ų | 106.1 | 65% | 0.645 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.8 | -44.2 | 176.3 | -73 | -176.9 | 70.9 | 0 | 0 | 112.1 | L177 K178 G184 A185 | L177-M181 WeakPolarHBondContact O-CG 3.41Å; L177-M181 PolarHBondContact O-N 2.96Å; K178-M181 PolarHBondContact O-N 2.91Å; K178-M181 VanDerWaalsContact O-N 3.16Å; M181-G184 PolarHBondContact O-N 3.26Å; M181-A185 VanDerWaalsContact O-CB 3.29Å; M181-A185 WeakPolarHBondContact O-CB 3.29Å; M181-A185 PolarHBondContact O-N 3.49Å |
| 182 | E | 90.3 | Very high | 85.3 | Confident | 112 Ų | 112 | 104.5 Ų | 104.5 | 52% | 0.523 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 176.5 | -75.1 | -177.8 | -167.4 | 0 | 0 | 111.9 | K178 L179 A185 K186 | K178-E182 WeakPolarHBondContact O-CG 3.28Å; K178-E182 PolarHBondContact O-N 3.35Å; L179-E182 PolarHBondContact O-N 3Å; E182-A185 PolarHBondContact O-N 3.29Å; E182-K186 WeakPolarHBondContact O-CB 3.48Å; E182-K186 WeakPolarHBondContact O-CG 3.43Å; E182-K186 PolarHBondContact O-N 2.97Å |
| 183 | F | 90.6 | Very high | 83.2 | Confident | 137 Ų | 137 | 100.5 Ų | 100.5 | 60% | 0.601 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64 | -45.1 | 175.2 | -161.5 | -97.8 | 0 | 0 | 0 | 110.7 | L179 Q180 A185 K186 L187 | L179-F183 VanDerWaalsContact O-CB 3.22Å; L179-F183 WeakPolarHBondContact O-CB 3.47Å; L179-F183 PolarHBondContact O-N 2.94Å; Q180-F183 PolarHBondContact O-N 3.06Å; F183-A185 PolarHBondContact O-N 3.28Å; F183-K186 PolarHBondContact O-N 3.35Å; F183-L187 HydrophobicContact CD1-CD1 3.76Å; F183-L187 HydrophobicContact CD1-CG 4.22Å; F183-L187 HydrophobicContact CE1-CD1 3.74Å; F183-L187 HydrophobicContact CE1-CG 4.17Å; F183-L187 WeakPolarHBondContact O-CG 3.42Å; F183-L187 PolarHBondContact O-N 2.92Å |
| 184 | G | 86.8 | Confident | 81.2 | Confident | 35 Ų | 35 | 98.5 Ų | 98.5 | 36% | 0.361 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.2 | -44.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q180 M181 L187 A188 | Q180-G184 PolarHBondContact O-N 2.89Å; M181-G184 PolarHBondContact O-N 3.26Å; G184-L187 PolarHBondContact O-N 3.46Å; G184-A188 WeakPolarHBondContact O-CB 3.38Å; G184-A188 PolarHBondContact O-N 3.4Å |
| 185 | A | 83.6 | Confident | 78.9 | Confident | 43 Ų | 43 | 103.6 Ų | 103.6 | 36% | 0.355 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.1 | -34.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M181 E182 F183 R189 | M181-A185 VanDerWaalsContact O-CB 3.29Å; M181-A185 WeakPolarHBondContact O-CB 3.29Å; M181-A185 PolarHBondContact O-N 3.49Å; E182-A185 PolarHBondContact O-N 3.29Å; F183-A185 PolarHBondContact O-N 3.28Å; A185-R189 WeakPolarHBondContact O-CB 3.37Å; A185-R189 PolarHBondContact O-N 3.38Å |
| 186 | K | 85.6 | Confident | 76.4 | Confident | 134 Ų | 134 | 110.2 Ų | 110.2 | 58% | 0.583 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.2 | -45.8 | 171.4 | -80.2 | 175.1 | -179.4 | 169.8 | 0 | 110.9 | E182 F183 A188 R189 V190 | E182-K186 WeakPolarHBondContact O-CB 3.48Å; E182-K186 WeakPolarHBondContact O-CG 3.43Å; E182-K186 PolarHBondContact O-N 2.97Å; F183-K186 PolarHBondContact O-N 3.35Å; K186-A188 PolarHBondContact O-N 3.3Å; K186-R189 PolarHBondContact O-N 2.78Å; K186-V190 WeakPolarHBondContact O-CG2 3.43Å; K186-V190 PolarHBondContact O-N 3.35Å |
| 187 | L | 81.4 | Confident | 73.8 | Confident | 93 Ų | 93 | 111.6 Ų | 111.6 | 49% | 0.487 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.1 | -44.2 | 173.9 | -74.3 | 174.3 | 0 | 0 | 0 | 111.8 | F183 G184 R189 V190 Q191 | F183-L187 HydrophobicContact CD1-CD1 3.76Å; F183-L187 HydrophobicContact CD1-CG 4.22Å; F183-L187 HydrophobicContact CE1-CD1 3.74Å; F183-L187 HydrophobicContact CE1-CG 4.17Å; F183-L187 WeakPolarHBondContact O-CG 3.42Å; F183-L187 PolarHBondContact O-N 2.92Å; G184-L187 PolarHBondContact O-N 3.46Å; L187-R189 PolarHBondContact O-N 3.26Å; L187-V190 WeakPolarHBondContact O-CB 3.34Å; L187-V190 PolarHBondContact O-N 3.06Å; L187-Q191 PolarHBondContact O-N 3.41Å |
| 188 | A | 77.1 | Confident | 71.2 | Confident | 42 Ų | 42 | 114.8 Ų | 114.8 | 35% | 0.347 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.9 | -36.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | G184 K186 Q191 S192 | G184-A188 WeakPolarHBondContact O-CB 3.38Å; G184-A188 PolarHBondContact O-N 3.4Å; K186-A188 PolarHBondContact O-N 3.3Å; A188-Q191 PolarHBondContact O-N 3.16Å; A188-S192 WeakPolarHBondContact O-CB 3.31Å; A188-S192 PolarHBondContact O-N 2.91Å; A188-S192 PolarHBondContact O-OG 3.29Å |
| 189 | R | 74.3 | Confident | 68.4 | Low | 181 Ų | 181 | 117.5 Ų | 117.5 | 68% | 0.683 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.3 | -40.3 | 171.3 | -88.6 | -172.3 | -103.1 | -159.5 | -6.7 | 112.2 | A185 K186 L187 S192 S193 | A185-R189 WeakPolarHBondContact O-CB 3.37Å; A185-R189 PolarHBondContact O-N 3.38Å; K186-R189 PolarHBondContact O-N 2.78Å; L187-R189 PolarHBondContact O-N 3.26Å; R189-S192 PolarHBondContact O-N 3.01Å; R189-S193 WeakPolarHBondContact O-CB 3.49Å; R189-S193 PolarHBondContact O-N 2.9Å; R189-S193 PolarHBondContact O-OG 2.88Å |
| 190 | V | 72.9 | Confident | 65.6 | Low | 92 Ų | 92 | 121.1 Ų | 121.1 | 56% | 0.558 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -61 | -47.1 | 173 | 170.4 | 0 | 0 | 0 | 0 | 110 | K186 L187 S193 A194 | K186-V190 WeakPolarHBondContact O-CG2 3.43Å; K186-V190 PolarHBondContact O-N 3.35Å; L187-V190 WeakPolarHBondContact O-CB 3.34Å; L187-V190 PolarHBondContact O-N 3.06Å; V190-S193 WeakPolarHBondContact CA-OG 3.39Å; V190-S193 PolarHBondContact O-N 3.34Å; V190-S193 PolarHBondContact O-OG 3.48Å; V190-A194 WeakPolarHBondContact O-CB 3.26Å; V190-A194 PolarHBondContact O-N 3.23Å |
| 191 | Q | 64.1 | Low | 63.1 | Low | 132 Ų | 132 | 122.3 Ų | 122.3 | 62% | 0.617 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.5 | -41.1 | 174.3 | -81.7 | -180 | -25.9 | 0 | 0 | 113.3 | L187 A188 A194 Q195 | L187-Q191 PolarHBondContact O-N 3.41Å; A188-Q191 PolarHBondContact O-N 3.16Å; Q191-A194 CarbonylContact O-C 3.54Å; Q191-A194 WeakPolarHBondContact O-CA 3.34Å; Q191-A194 WeakPolarHBondContact O-CB 3.44Å; Q191-A194 PolarHBondContact O-N 3.02Å; Q191-A194 VanDerWaalsContact O-N 3.16Å; Q191-Q195 PolarHBondContact O-N 3.5Å |
| 192 | S | 53.8 | Low | 60.1 | Low | 68 Ų | 68 | 124.6 Ų | 124.6 | 48% | 0.476 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -70.5 | -34.5 | 178.9 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | A188 R189 A194 Q195 R196 | A188-S192 WeakPolarHBondContact O-CB 3.31Å; A188-S192 PolarHBondContact O-N 2.91Å; A188-S192 PolarHBondContact O-OG 3.29Å; R189-S192 PolarHBondContact O-N 3.01Å; S192-A194 VanDerWaalsContact C-N 3.31Å; S192-Q195 PolarHBondContact O-N 3.4Å; S192-R196 WeakPolarHBondContact O-CB 3.47Å; S192-R196 PolarHBondContact O-N 3.15Å |
| 193 | S | 50.7 | Low | 57.1 | Low | 73 Ų | 73 | 122.6 Ų | 122.6 | 51% | 0.51 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -71.4 | -27.4 | 170.7 | 68.4 | 0 | 0 | 0 | 0 | 112.4 | R189 V190 | R189-S193 WeakPolarHBondContact O-CB 3.49Å; R189-S193 PolarHBondContact O-N 2.9Å; R189-S193 PolarHBondContact O-OG 2.88Å; V190-S193 WeakPolarHBondContact CA-OG 3.39Å; V190-S193 PolarHBondContact O-N 3.34Å; V190-S193 PolarHBondContact O-OG 3.48Å |
| 194 | A | 51.1 | Low | 54.2 | Low | 67 Ų | 67 | 121.2 Ų | 121.2 | 55% | 0.554 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -74.1 | -30.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V190 Q191 S192 | V190-A194 WeakPolarHBondContact O-CB 3.26Å; V190-A194 PolarHBondContact O-N 3.23Å; Q191-A194 CarbonylContact O-C 3.54Å; Q191-A194 WeakPolarHBondContact O-CA 3.34Å; Q191-A194 WeakPolarHBondContact O-CB 3.44Å; Q191-A194 PolarHBondContact O-N 3.02Å; Q191-A194 VanDerWaalsContact O-N 3.16Å; S192-A194 VanDerWaalsContact C-N 3.31Å |
| 195 | Q | 45.1 | Very low | 51.8 | Low | 153 Ų | 153 | 126.6 Ų | 126.6 | 72% | 0.715 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -83.1 | -29.4 | 176.5 | -101.3 | 169.3 | -52.6 | 0 | 0 | 114.3 | Q191 S192 N197 | Q191-Q195 PolarHBondContact O-N 3.5Å; S192-Q195 PolarHBondContact O-N 3.4Å; Q195-N197 PolarHBondContact O-N 2.99Å |
| 196 | R | 41.6 | Very low | 49.7 | Very low | 232 Ų | 232 | 132.3 Ų | 132.3 | 88% | 0.875 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -5.4 | 177.8 | -151.2 | -178.9 | -111.5 | 177.7 | -3.7 | 113.6 | S192 | S192-R196 WeakPolarHBondContact O-CB 3.47Å; S192-R196 PolarHBondContact O-N 3.15Å |
| 197 | N | 40 | Very low | 47.6 | Very low | 146 Ų | 146 | 133.7 Ų | 133.7 | 78% | 0.781 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | 19.9 | 178.4 | -104.7 | -16.1 | 0 | 0 | 0 | 114 | Q195 | Q195-N197 PolarHBondContact O-N 2.99Š|
| 198 | Q | 38.4 | Very low | 46 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 77% | 0.771 | 72% | 0.717 | S | S | * | * | trans | -132 | 71.7 | 172 | -76.8 | -170 | 3 | 0 | 0 | 111.7 | ||||
| 199 | Q | 34.7 | Very low | 44.7 | Very low | 197 Ų | 197 | 137.8 Ų | 137.8 | 92% | 0.921 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -161.2 | 123.5 | 147.3 | -106 | 159.2 | 24.5 | 0 | 0 | 109.8 | ||
| 200 | Q | 33.7 | Very low | 44.3 | Very low | 190 Ų | 190 | 132.5 Ų | 132.5 | 89% | 0.888 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 83.8 | 70 | -179.7 | -69.5 | -169.3 | -39.6 | 0 | 0 | 119.9 | ||
| 201 | L | 37.8 | Very low | 43.7 | Very low | 145 Ų | 145 | 133.4 Ų | 133.4 | 76% | 0.759 | 72% | 0.718 | S | S | * | * | 32.2 | 133.4 | 117.6 | -78.9 | 121.2 | 0 | 0 | 0 | 123.5 | |||||
| 202 | H | 28.9 | Very low | 43.7 | Very low | 180 Ų | 180 | 134.8 Ų | 134.8 | 83% | 0.833 | 72% | 0.723 | S | S | * | * | trans | 87.3 | 108.4 | 152.8 | -68.2 | -52.7 | 0 | 0 | 0 | 118.9 | ||||
| 203 | G | 26.8 | Very low | 44.4 | Very low | 69 Ų | 69 | 137.4 Ų | 137.4 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | trans | 154.2 | 94.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 204 | S | 30.1 | Very low | 45.3 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | trans | 36.2 | 121.8 | 141.1 | -46.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 205 | N | 35.3 | Very low | 46.3 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | trans | 62.6 | 113.4 | 144.7 | -65.6 | -41.3 | 0 | 0 | 0 | 118.1 | ||||
| 206 | L | 40.8 | Very low | 47.8 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 85% | 0.853 | 73% | 0.725 | S | S | * | * | 155.6 | 84.2 | 115 | -77.8 | 170.7 | 0 | 0 | 0 | 108.1 | P208 | L206-P208 VanDerWaalsContact O-CD 3.27Å; L206-P208 WeakPolarHBondContact O-CD 3.36Å | |||
| 207 | L | 40.8 | Very low | 49.4 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 85% | 0.853 | 70% | 0.704 | S | S | * | * | trans | -59.7 | 120.5 | 169.1 | -150.5 | 86.8 | 0 | 0 | 0 | 108.1 | Q209 | L207-Q209 VanDerWaalsContact C-N 3.3Å; L207-Q209 PolarHBondContact O-N 3.46Å | ||
| 208 | P | 47.8 | Very low | 51.2 | Low | 123 Ų | 123 | 136 Ų | 136 | 80% | 0.799 | 70% | 0.695 | S | S | * | * | trans | -68.5 | 96.4 | 171.6 | -15.5 | 30.5 | 0 | 0 | 0 | 107.6 | L206 S210 | L206-P208 VanDerWaalsContact O-CD 3.27Å; L206-P208 WeakPolarHBondContact O-CD 3.36Å; P208-S210 PolarHBondContact O-N 2.94Å | ||
| 209 | Q | 50 | Low | 53.2 | Low | 98 Ų | 98 | 135.9 Ų | 135.9 | 46% | 0.458 | 69% | 0.692 | S | S | . | * | trans | -54.2 | 110.4 | 178.4 | -167.9 | 165.2 | 3.8 | 0 | 0 | 108.4 | L207 K213 | L207-Q209 VanDerWaalsContact C-N 3.3Å; L207-Q209 PolarHBondContact O-N 3.46Å; Q209-K213 HydrophobicContact CG-CB 3.87Å; Q209-K213 HydrophobicContact CG-CD 3.79Å; Q209-K213 HydrophobicContact CG-CG 4.19Å | ||
| 210 | S | 64.9 | Low | 55.3 | Low | 70 Ų | 70 | 131.5 Ų | 131.5 | 49% | 0.49 | 67% | 0.672 | S | S | . | * | trans | -49.2 | 142.2 | -174.2 | 64.2 | 0 | 0 | 0 | 0 | 111 | P208 F212 K213 R214 | P208-S210 PolarHBondContact O-N 2.94Å; S210-F212 PolarHBondContact O-N 3.49Å; S210-K213 PolarHBondContact O-N 2.91Å; S210-R214 PolarHBondContact O-N 2.93Å | ||
| 211 | V | 60.6 | Low | 57.5 | Low | 110 Ų | 110 | 127 Ų | 127 | 67% | 0.667 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -49.6 | -29.5 | 177.2 | -175.8 | 0 | 0 | 0 | 0 | 111.3 | R214 K215 | V211-R214 PolarHBondContact O-N 3.37Å; V211-K215 WeakPolarHBondContact O-CB 3.41Å; V211-K215 PolarHBondContact O-N 2.86Å |
| 212 | F | 65.1 | Low | 59.5 | Low | 161 Ų | 161 | 124.9 Ų | 124.9 | 71% | 0.706 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -60.9 | -45.5 | 172.7 | -162.5 | -99.2 | 0 | 0 | 0 | 113.2 | S210 K215 L216 | S210-F212 PolarHBondContact O-N 3.49Å; F212-K215 PolarHBondContact O-N 3.23Å; F212-L216 WeakPolarHBondContact O-CB 3.41Å; F212-L216 PolarHBondContact O-N 2.96Å |
| 213 | K | 68.1 | Low | 62.2 | Low | 124 Ų | 124 | 121.7 Ų | 121.7 | 54% | 0.539 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -70.3 | -34.2 | 178.8 | -151.7 | 177.9 | -173.7 | -170.4 | 0 | 111.9 | Q209 S210 Q217 | Q209-K213 HydrophobicContact CG-CB 3.87Å; Q209-K213 HydrophobicContact CG-CD 3.79Å; Q209-K213 HydrophobicContact CG-CG 4.19Å; S210-K213 PolarHBondContact O-N 2.91Å; K213-Q217 WeakPolarHBondContact O-CB 3.39Å; K213-Q217 PolarHBondContact O-N 3.4Å |
| 214 | R | 69.6 | Low | 64.7 | Low | 180 Ų | 180 | 122.6 Ų | 122.6 | 68% | 0.679 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.2 | -44.4 | 172.6 | -170.8 | -179.4 | -66.1 | 170.1 | 0.1 | 111.8 | S210 V211 Q217 F218 | S210-R214 PolarHBondContact O-N 2.93Å; V211-R214 PolarHBondContact O-N 3.37Å; R214-Q217 PolarHBondContact O-N 3.48Å; R214-F218 WeakPolarHBondContact O-CB 3.5Å; R214-F218 PolarHBondContact O-N 3.45Å |
| 215 | K | 71.8 | Confident | 67.3 | Low | 145 Ų | 145 | 124.5 Ų | 124.5 | 63% | 0.63 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.8 | -39.1 | 175.4 | -79.8 | -166 | 174 | -155.5 | 0 | 112.2 | V211 F212 F218 F219 | V211-K215 WeakPolarHBondContact O-CB 3.41Å; V211-K215 PolarHBondContact O-N 2.86Å; F212-K215 PolarHBondContact O-N 3.23Å; K215-F218 PolarHBondContact O-N 3.37Å; K215-F219 WeakPolarHBondContact O-CB 3.4Å; K215-F219 PolarHBondContact O-N 2.92Å |
| 216 | L | 76.4 | Confident | 69.5 | Low | 88 Ų | 88 | 123.3 Ų | 123.3 | 46% | 0.461 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.9 | -40.4 | 177.4 | -152 | 82.8 | 0 | 0 | 0 | 112 | F212 F219 Q220 | F212-L216 WeakPolarHBondContact O-CB 3.41Å; F212-L216 PolarHBondContact O-N 2.96Å; L216-F219 PolarHBondContact O-N 3.25Å; L216-Q220 WeakPolarHBondContact O-CB 3.39Å; L216-Q220 WeakPolarHBondContact O-CG 3.33Å; L216-Q220 PolarHBondContact O-N 2.94Å |
| 217 | Q | 75.6 | Confident | 71.4 | Confident | 90 Ų | 90 | 118.6 Ų | 118.6 | 42% | 0.421 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.3 | -42.1 | 175.6 | -172.9 | 176.4 | -10.4 | 0 | 0 | 111.6 | K213 R214 F219 Q220 E221 | K213-Q217 WeakPolarHBondContact O-CB 3.39Å; K213-Q217 PolarHBondContact O-N 3.4Å; R214-Q217 PolarHBondContact O-N 3.48Å; Q217-F219 VanDerWaalsContact C-N 3.33Å; Q217-F219 PolarHBondContact O-N 3.37Å; Q217-Q220 CarbonylContact O-C 3.5Å; Q217-Q220 PolarHBondContact O-N 3.12Å; Q217-Q220 VanDerWaalsContact O-N 3.13Å; Q217-E221 HydrophobicContact CG-CG 4.5Å; Q217-E221 WeakPolarHBondContact CG-OE1 3.36Å; Q217-E221 PolarHBondContact NE2-OE1 2.94Å; Q217-E221 WeakPolarHBondContact O-CB 3.32Å; Q217-E221 WeakPolarHBondContact O-CG 3.4Å; Q217-E221 PolarHBondContact O-N 3.48Å |
| 218 | F | 78.6 | Confident | 73.4 | Confident | 137 Ų | 137 | 113.5 Ų | 113.5 | 60% | 0.601 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63 | -40 | 175.4 | -145.7 | -84.3 | 0 | 0 | 0 | 111.6 | R214 K215 Q220 E221 E222 | R214-F218 WeakPolarHBondContact O-CB 3.5Å; R214-F218 PolarHBondContact O-N 3.45Å; K215-F218 PolarHBondContact O-N 3.37Å; F218-Q220 VanDerWaalsContact C-N 3.34Å; F218-Q220 PolarHBondContact O-N 3.47Å; F218-E221 PolarHBondContact O-N 2.86Å; F218-E222 HydrophobicContact CD1-CG 4.11Å; F218-E222 HydrophobicContact CE1-CG 4.14Å; F218-E222 WeakPolarHBondContact O-CB 3.44Å; F218-E222 PolarHBondContact O-N 2.98Å |
| 219 | F | 80.4 | Confident | 75 | Confident | 163 Ų | 163 | 110.5 Ų | 110.5 | 72% | 0.715 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.3 | -38.3 | 172.4 | -105.3 | -76.1 | 0 | 0 | 0 | 112.4 | K215 L216 Q217 K223 | K215-F219 WeakPolarHBondContact O-CB 3.4Å; K215-F219 PolarHBondContact O-N 2.92Å; L216-F219 PolarHBondContact O-N 3.25Å; Q217-F219 VanDerWaalsContact C-N 3.33Å; Q217-F219 PolarHBondContact O-N 3.37Å; F219-K223 WeakPolarHBondContact O-CB 3.24Å; F219-K223 PolarHBondContact O-N 2.96Å |
| 220 | Q | 78.8 | Confident | 76.6 | Confident | 106 Ų | 106 | 110.6 Ų | 110.6 | 50% | 0.495 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.9 | -36 | 176.7 | -80.3 | 168.5 | -20 | 0 | 0 | 112.5 | L216 Q217 F218 N224 | L216-Q220 WeakPolarHBondContact O-CB 3.39Å; L216-Q220 WeakPolarHBondContact O-CG 3.33Å; L216-Q220 PolarHBondContact O-N 2.94Å; Q217-Q220 CarbonylContact O-C 3.5Å; Q217-Q220 PolarHBondContact O-N 3.12Å; Q217-Q220 VanDerWaalsContact O-N 3.13Å; F218-Q220 VanDerWaalsContact C-N 3.34Å; F218-Q220 PolarHBondContact O-N 3.47Å; Q220-N224 VanDerWaalsContact O-CB 3.26Å; Q220-N224 WeakPolarHBondContact O-CB 3.35Å; Q220-N224 PolarHBondContact O-N 3.11Å; Q220-N224 PolarHBondContact O-ND2 3.29Å |
| 221 | E | 79.5 | Confident | 77.3 | Confident | 96 Ų | 96 | 116 Ų | 116 | 45% | 0.449 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -71.1 | -43.9 | 176 | -77.8 | 172.7 | -166.2 | 0 | 0 | 112.1 | Q217 F218 N224 K225 | Q217-E221 HydrophobicContact CG-CG 4.5Å; Q217-E221 WeakPolarHBondContact CG-OE1 3.36Å; Q217-E221 PolarHBondContact NE2-OE1 2.94Å; Q217-E221 WeakPolarHBondContact O-CB 3.32Å; Q217-E221 WeakPolarHBondContact O-CG 3.4Å; Q217-E221 PolarHBondContact O-N 3.48Å; F218-E221 PolarHBondContact O-N 2.86Å; E221-N224 PolarHBondContact O-N 3.07Å; E221-K225 WeakPolarHBondContact O-CB 3.41Å; E221-K225 PolarHBondContact O-N 3.38Å |
| 222 | E | 80.7 | Confident | 78.3 | Confident | 100 Ų | 100 | 116 Ų | 116 | 47% | 0.467 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.7 | -49.7 | 171.7 | -90.1 | -79.2 | 112.2 | 0 | 0 | 110.9 | F218 N224 K225 E226 | F218-E222 HydrophobicContact CD1-CG 4.11Å; F218-E222 HydrophobicContact CE1-CG 4.14Å; F218-E222 WeakPolarHBondContact O-CB 3.44Å; F218-E222 PolarHBondContact O-N 2.98Å; E222-N224 VanDerWaalsContact C-N 3.28Å; E222-N224 PolarHBondContact O-N 3.48Å; E222-K225 PolarHBondContact O-N 3.37Å; E222-E226 WeakPolarHBondContact O-CB 3.45Å; E222-E226 PolarHBondContact O-N 3.25Å |
| 223 | K | 84 | Confident | 79.1 | Confident | 113 Ų | 113 | 115.4 Ų | 115.4 | 49% | 0.491 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -56.7 | -42 | 175.8 | -169.8 | -153.5 | 71.1 | 165 | 0 | 111.7 | F219 I227 | F219-K223 WeakPolarHBondContact O-CB 3.24Å; F219-K223 PolarHBondContact O-N 2.96Å; K223-I227 HydrophobicContact CD-CD1 4.22Å; K223-I227 HydrophobicContact CG-CD1 4.05Å; K223-I227 WeakPolarHBondContact O-CB 3.49Å; K223-I227 WeakPolarHBondContact O-CD1 3.37Å; K223-I227 WeakPolarHBondContact O-CG1 3.44Å; K223-I227 PolarHBondContact O-N 2.91Å |
| 224 | N | 80 | Confident | 79.6 | Confident | 88 Ų | 88 | 113.7 Ų | 113.7 | 47% | 0.471 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -73.7 | -34.3 | -179.8 | -72.2 | -13.2 | 0 | 0 | 0 | 112.6 | Q220 E221 E222 A228 | Q220-N224 VanDerWaalsContact O-CB 3.26Å; Q220-N224 WeakPolarHBondContact O-CB 3.35Å; Q220-N224 PolarHBondContact O-N 3.11Å; Q220-N224 PolarHBondContact O-ND2 3.29Å; E221-N224 PolarHBondContact O-N 3.07Å; E222-N224 VanDerWaalsContact C-N 3.28Å; E222-N224 PolarHBondContact O-N 3.48Å; N224-A228 WeakPolarHBondContact O-CB 3.4Å; N224-A228 PolarHBondContact O-N 3.09Å |
| 225 | K | 84.6 | Confident | 80.1 | Confident | 148 Ų | 148 | 110.4 Ų | 110.4 | 64% | 0.643 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.4 | -42.6 | 171.3 | -88.5 | -178.9 | 175.8 | 175 | 0 | 111.5 | E221 E222 A228 A229 | E221-K225 WeakPolarHBondContact O-CB 3.41Å; E221-K225 PolarHBondContact O-N 3.38Å; E222-K225 PolarHBondContact O-N 3.37Å; K225-A228 PolarHBondContact O-N 2.83Å; K225-A229 WeakPolarHBondContact O-CB 3.48Å; K225-A229 PolarHBondContact O-N 3Å |
| 226 | E | 82.3 | Confident | 80.4 | Confident | 124 Ų | 124 | 107.1 Ų | 107.1 | 58% | 0.579 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70 | -38.4 | 178.4 | -161.4 | 164 | -155 | 0 | 0 | 111 | E222 A228 A229 L230 | E222-E226 WeakPolarHBondContact O-CB 3.45Å; E222-E226 PolarHBondContact O-N 3.25Å; E226-A228 VanDerWaalsContact C-N 3.34Å; E226-A228 PolarHBondContact O-N 3.11Å; E226-A229 PolarHBondContact O-N 2.86Å; E226-L230 HydrophobicContact CG-CD1 4.4Å; E226-L230 VanDerWaalsContact O-CB 3.28Å; E226-L230 WeakPolarHBondContact O-CB 3.37Å; E226-L230 VanDerWaalsContact O-CG 3.22Å; E226-L230 WeakPolarHBondContact O-CG 3.49Å; E226-L230 PolarHBondContact O-N 3.3Å |
| 227 | I | 80.8 | Confident | 80.2 | Confident | 63 Ų | 63 | 107.2 Ų | 107.2 | 32% | 0.323 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 169.5 | -72.6 | 168 | 0 | 0 | 0 | 111.4 | K223 R231 | K223-I227 HydrophobicContact CD-CD1 4.22Å; K223-I227 HydrophobicContact CG-CD1 4.05Å; K223-I227 WeakPolarHBondContact O-CB 3.49Å; K223-I227 WeakPolarHBondContact O-CD1 3.37Å; K223-I227 WeakPolarHBondContact O-CG1 3.44Å; K223-I227 PolarHBondContact O-N 2.91Å; I227-R231 HydrophobicContact CG2-CG 4.44Å; I227-R231 WeakPolarHBondContact O-CB 3.48Å; I227-R231 VanDerWaalsContact O-CG 3.23Å; I227-R231 WeakPolarHBondContact O-CG 3.37Å; I227-R231 PolarHBondContact O-N 3.45Å |
| 228 | A | 82.1 | Confident | 80.1 | Confident | 56 Ų | 56 | 109 Ų | 109 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.6 | -41.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | N224 K225 E226 R231 Q232 | N224-A228 WeakPolarHBondContact O-CB 3.4Å; N224-A228 PolarHBondContact O-N 3.09Å; K225-A228 PolarHBondContact O-N 2.83Å; E226-A228 VanDerWaalsContact C-N 3.34Å; E226-A228 PolarHBondContact O-N 3.11Å; A228-R231 PolarHBondContact O-N 3.06Å; A228-Q232 VanDerWaalsContact O-CB 3.31Å; A228-Q232 WeakPolarHBondContact O-CB 3.27Å; A228-Q232 PolarHBondContact O-N 3.45Å |
| 229 | A | 82.1 | Confident | 79.6 | Confident | 60 Ų | 60 | 108 Ų | 108 | 50% | 0.496 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | K225 E226 Q232 R233 | K225-A229 WeakPolarHBondContact O-CB 3.48Å; K225-A229 PolarHBondContact O-N 3Å; E226-A229 PolarHBondContact O-N 2.86Å; A229-Q232 PolarHBondContact O-N 2.88Å; A229-R233 VanDerWaalsContact O-CB 3.25Å; A229-R233 WeakPolarHBondContact O-CB 3.2Å; A229-R233 PolarHBondContact O-N 3.1Å |
| 230 | L | 82 | Confident | 78.7 | Confident | 101 Ų | 101 | 104 Ų | 104 | 53% | 0.529 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.7 | -38.7 | 174.3 | -73.3 | 170 | 0 | 0 | 0 | 111.9 | E226 R233 I234 | E226-L230 HydrophobicContact CG-CD1 4.4Å; E226-L230 VanDerWaalsContact O-CB 3.28Å; E226-L230 WeakPolarHBondContact O-CB 3.37Å; E226-L230 VanDerWaalsContact O-CG 3.22Å; E226-L230 WeakPolarHBondContact O-CG 3.49Å; E226-L230 PolarHBondContact O-N 3.3Å; L230-R233 PolarHBondContact O-N 3.48Å; L230-I234 WeakPolarHBondContact O-CB 3.25Å; L230-I234 WeakPolarHBondContact O-CD1 3.49Å; L230-I234 WeakPolarHBondContact O-CG1 3.4Å; L230-I234 PolarHBondContact O-N 2.95Å |
| 231 | R | 81.3 | Confident | 77.7 | Confident | 182 Ų | 182 | 106.2 Ų | 106.2 | 69% | 0.687 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.3 | -38.2 | 173.7 | -77 | 176.8 | 178.7 | -166.7 | -0.8 | 112.3 | I227 A228 R233 I234 K235 | I227-R231 HydrophobicContact CG2-CG 4.44Å; I227-R231 WeakPolarHBondContact O-CB 3.48Å; I227-R231 VanDerWaalsContact O-CG 3.23Å; I227-R231 WeakPolarHBondContact O-CG 3.37Å; I227-R231 PolarHBondContact O-N 3.45Å; A228-R231 PolarHBondContact O-N 3.06Å; R231-R233 VanDerWaalsContact C-N 3.34Å; R231-I234 PolarHBondContact O-N 3.28Å; R231-K235 WeakPolarHBondContact O-CB 3.49Å; R231-K235 PolarHBondContact O-N 3.42Å |
| 232 | Q | 81.2 | Confident | 76.6 | Confident | 110 Ų | 110 | 104.4 Ų | 104.4 | 51% | 0.514 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 172.2 | -169.3 | 78.8 | 22.1 | 0 | 0 | 110.2 | A228 A229 K235 E236 | A228-Q232 VanDerWaalsContact O-CB 3.31Å; A228-Q232 WeakPolarHBondContact O-CB 3.27Å; A228-Q232 PolarHBondContact O-N 3.45Å; A229-Q232 PolarHBondContact O-N 2.88Å; Q232-K235 PolarHBondContact O-N 3.39Å; Q232-E236 WeakPolarHBondContact O-CB 3.37Å; Q232-E236 WeakPolarHBondContact O-CG 3.48Å; Q232-E236 PolarHBondContact O-N 3.37Å |
| 233 | R | 80.9 | Confident | 75 | Confident | 150 Ų | 150 | 104 Ų | 104 | 57% | 0.566 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.6 | -38.2 | 177.2 | -162.1 | 68.5 | 177.3 | 166.1 | -1.5 | 112.6 | A229 L230 R231 E236 L237 | A229-R233 VanDerWaalsContact O-CB 3.25Å; A229-R233 WeakPolarHBondContact O-CB 3.2Å; A229-R233 PolarHBondContact O-N 3.1Å; L230-R233 PolarHBondContact O-N 3.48Å; R231-R233 VanDerWaalsContact C-N 3.34Å; R233-E236 IonicContact CZ-OE2 3.31Å; R233-E236 IonicContact NH1-OE2 3.21Å; R233-E236 PolarHBondContact NH1-OE2 2.82Å; R233-E236 PolarHBondContact O-N 3.47Å; R233-L237 HydrophobicContact CG-CD1 4.32Å; R233-L237 VanDerWaalsContact O-CB 3.26Å; R233-L237 WeakPolarHBondContact O-CB 3.41Å; R233-L237 WeakPolarHBondContact O-CD1 3.24Å; R233-L237 WeakPolarHBondContact O-CG 3.46Å; R233-L237 PolarHBondContact O-N 3.11Å |
| 234 | I | 79 | Confident | 73.4 | Confident | 88 Ų | 88 | 101.6 Ų | 101.6 | 45% | 0.451 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 171.9 | -72.6 | 163.8 | 0 | 0 | 0 | 109.5 | L230 R231 E236 L237 E238 | L230-I234 WeakPolarHBondContact O-CB 3.25Å; L230-I234 WeakPolarHBondContact O-CD1 3.49Å; L230-I234 WeakPolarHBondContact O-CG1 3.4Å; L230-I234 PolarHBondContact O-N 2.95Å; R231-I234 PolarHBondContact O-N 3.28Å; I234-E236 PolarHBondContact O-N 3.41Å; I234-L237 CarbonylContact O-C 3.58Å; I234-L237 PolarHBondContact O-N 3.28Å; I234-E238 HydrophobicContact CG2-CG 4.3Å; I234-E238 WeakPolarHBondContact O-CB 3.5Å; I234-E238 VanDerWaalsContact O-CG 3.29Å; I234-E238 WeakPolarHBondContact O-CG 3.47Å; I234-E238 PolarHBondContact O-N 2.85Å |
| 235 | K | 79.4 | Confident | 71.5 | Confident | 111 Ų | 111 | 102.1 Ų | 102.1 | 48% | 0.483 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.7 | -41.2 | 176.3 | -169.7 | -179.2 | 177.4 | -170.3 | 0 | 112.6 | R231 Q232 E238 E239 | R231-K235 WeakPolarHBondContact O-CB 3.49Å; R231-K235 PolarHBondContact O-N 3.42Å; Q232-K235 PolarHBondContact O-N 3.39Å; K235-E238 PolarHBondContact O-N 3.35Å; K235-E239 VanDerWaalsContact CE-OE1 3.27Å; K235-E239 WeakPolarHBondContact CE-OE1 3.48Å; K235-E239 WeakPolarHBondContact O-CB 3.29Å; K235-E239 WeakPolarHBondContact O-CG 3.38Å; K235-E239 PolarHBondContact O-N 3.29Å |
| 236 | E | 77.9 | Confident | 69.6 | Low | 76 Ų | 76 | 100.6 Ų | 100.6 | 36% | 0.355 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.7 | -38.1 | 173.2 | -76.2 | 171.1 | -169 | 0 | 0 | 111.7 | Q232 R233 I234 E239 S240 | Q232-E236 WeakPolarHBondContact O-CB 3.37Å; Q232-E236 WeakPolarHBondContact O-CG 3.48Å; Q232-E236 PolarHBondContact O-N 3.37Å; R233-E236 IonicContact CZ-OE2 3.31Å; R233-E236 IonicContact NH1-OE2 3.21Å; R233-E236 PolarHBondContact NH1-OE2 2.82Å; R233-E236 PolarHBondContact O-N 3.47Å; I234-E236 PolarHBondContact O-N 3.41Å; E236-E239 PolarHBondContact O-N 3.41Å; E236-S240 WeakPolarHBondContact O-CB 3.5Å; E236-S240 PolarHBondContact O-N 2.97Å; E236-S240 PolarHBondContact O-OG 3.21Å |
| 237 | L | 74.1 | Confident | 67.5 | Low | 90 Ų | 90 | 101 Ų | 101 | 47% | 0.471 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.9 | -35.8 | 174.4 | -77.2 | 167.5 | 0 | 0 | 0 | 112.2 | R233 I234 S240 Q241 | R233-L237 HydrophobicContact CG-CD1 4.32Å; R233-L237 VanDerWaalsContact O-CB 3.26Å; R233-L237 WeakPolarHBondContact O-CB 3.41Å; R233-L237 WeakPolarHBondContact O-CD1 3.24Å; R233-L237 WeakPolarHBondContact O-CG 3.46Å; R233-L237 PolarHBondContact O-N 3.11Å; I234-L237 CarbonylContact O-C 3.58Å; I234-L237 PolarHBondContact O-N 3.28Å; L237-S240 WeakPolarHBondContact CA-OG 3.3Å; L237-S240 PolarHBondContact O-OG 2.96Å; L237-Q241 WeakPolarHBondContact O-CB 3.45Å; L237-Q241 WeakPolarHBondContact O-CG 3.43Å; L237-Q241 PolarHBondContact O-N 3.03Å |
| 238 | E | 73.2 | Confident | 65.2 | Low | 126 Ų | 126 | 102.3 Ų | 102.3 | 59% | 0.589 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.5 | -36.3 | 172.8 | -74.6 | 173.1 | 167.4 | 0 | 0 | 111.4 | I234 K235 G242 | I234-E238 HydrophobicContact CG2-CG 4.3Å; I234-E238 WeakPolarHBondContact O-CB 3.5Å; I234-E238 VanDerWaalsContact O-CG 3.29Å; I234-E238 WeakPolarHBondContact O-CG 3.47Å; I234-E238 PolarHBondContact O-N 2.85Å; K235-E238 PolarHBondContact O-N 3.35Å; E238-G242 WeakPolarHBondContact O-CA 3.13Å; E238-G242 PolarHBondContact O-N 2.84Å |
| 239 | E | 67.8 | Low | 63 | Low | 118 Ų | 118 | 111.6 Ų | 111.6 | 55% | 0.551 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -73.6 | -33.5 | 173.9 | -77.5 | 173.3 | -175.4 | 0 | 0 | 112.1 | K235 E236 G242 A243 | K235-E239 VanDerWaalsContact CE-OE1 3.27Å; K235-E239 WeakPolarHBondContact CE-OE1 3.48Å; K235-E239 WeakPolarHBondContact O-CB 3.29Å; K235-E239 WeakPolarHBondContact O-CG 3.38Å; K235-E239 PolarHBondContact O-N 3.29Å; E236-E239 PolarHBondContact O-N 3.41Å; E239-G242 PolarHBondContact O-N 3.35Å; E239-A243 VanDerWaalsContact O-CB 3.31Å; E239-A243 WeakPolarHBondContact O-CB 3.32Å; E239-A243 PolarHBondContact O-N 2.95Å |
| 240 | S | 61.3 | Low | 62.1 | Low | 78 Ų | 78 | 114.2 Ų | 114.2 | 55% | 0.545 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -81.2 | -15.9 | 172.8 | 48.2 | 0 | 0 | 0 | 0 | 114.1 | E236 L237 | E236-S240 WeakPolarHBondContact O-CB 3.5Å; E236-S240 PolarHBondContact O-N 2.97Å; E236-S240 PolarHBondContact O-OG 3.21Å; L237-S240 WeakPolarHBondContact CA-OG 3.3Å; L237-S240 PolarHBondContact O-OG 2.96Å |
| 241 | Q | 57.6 | Low | 61 | Low | 153 Ų | 153 | 114.9 Ų | 114.9 | 72% | 0.715 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -86.2 | -24.4 | 161.3 | -75 | -175.5 | 5.2 | 0 | 0 | 112.6 | L237 | L237-Q241 WeakPolarHBondContact O-CB 3.45Å; L237-Q241 WeakPolarHBondContact O-CG 3.43Å; L237-Q241 PolarHBondContact O-N 3.03Å |
| 242 | G | 55.9 | Low | 59.9 | Low | 58 Ų | 58 | 111.2 Ų | 111.2 | 60% | 0.598 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -80.5 | -23.9 | 174 | 0 | 0 | 0 | 0 | 0 | 114.5 | E238 E239 | E238-G242 WeakPolarHBondContact O-CA 3.13Å; E238-G242 PolarHBondContact O-N 2.84Å; E239-G242 PolarHBondContact O-N 3.35Å |
| 243 | A | 48.2 | Very low | 58.7 | Low | 92 Ų | 92 | 111.2 Ų | 111.2 | 76% | 0.76 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 14.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E239 | E239-A243 VanDerWaalsContact O-CB 3.31Å; E239-A243 WeakPolarHBondContact O-CB 3.32Å; E239-A243 PolarHBondContact O-N 2.95Å |
| 244 | G | 49 | Very low | 57.3 | Low | 61 Ų | 61 | 108.8 Ų | 108.8 | 63% | 0.629 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -118.4 | -2.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 245 | S | 40.3 | Very low | 55.8 | Low | 100 Ų | 100 | 110.2 Ų | 110.2 | 70% | 0.699 | 67% | 0.672 | S | S | * | * | trans | -169.6 | 78.1 | 166.6 | 58.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 246 | S | 46.1 | Very low | 54.1 | Low | 115 Ų | 115 | 110.1 Ų | 110.1 | 80% | 0.804 | 69% | 0.686 | S | S | * | * | trans | -108 | 97 | 134.5 | -168.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 247 | T | 37.5 | Very low | 52.3 | Low | 134 Ų | 134 | 112.8 Ų | 112.8 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | trans | -173.9 | 130 | 153.1 | 21.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 248 | A | 32.2 | Very low | 50.5 | Low | 90 Ų | 90 | 114.7 Ų | 114.7 | 74% | 0.744 | 73% | 0.731 | S | S | * | * | trans | 86 | 113.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 249 | L | 37 | Very low | 48.4 | Very low | 251 Ų | 251 | 113.6 Ų | 113.6 | 100% | 1.314 | 74% | 0.744 | S | S | * | * | 36.9 | 0 | 124.5 | -75.7 | 157 | 0 | 0 | 0 | 118.2 |
Retrieved 249 of 249 residues in 349.6 ms
(Link to these results)