| 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 | 41.3 | Very low | 50.9 | Low | 244 Ų | 244 | 149.8 Ų | 149.8 | 100% | 1.202 | 79% | 0.791 | S | S | * | * | 0 | 95.1 | 0 | -70.3 | -160.4 | 154.3 | 0 | 0 | 108.6 | S3 | M1-S3 PolarHBondContact O-N 3.35Š| |||
| 2 | A | 47.7 | Very low | 53.1 | Low | 101 Ų | 101 | 143.8 Ų | 143.8 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | trans | -80.9 | 111.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | R4 | A2-R4 PolarHBondContact O-N 2.88Š| ||
| 3 | S | 44.5 | Very low | 55.2 | Low | 122 Ų | 122 | 141.5 Ų | 141.5 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | trans | -62.7 | 100.3 | 176.5 | -153.3 | 0 | 0 | 0 | 0 | 108 | M1 H5 | M1-S3 PolarHBondContact O-N 3.35Å; S3-H5 VanDerWaalsContact C-N 3.33Å; S3-H5 PolarHBondContact O-N 3.08Å | ||
| 4 | R | 46.9 | Very low | 56.7 | Low | 237 Ų | 237 | 142.3 Ų | 142.3 | 89% | 0.894 | 76% | 0.757 | S | S | * | * | trans | -68.1 | 98.3 | 171.7 | -98.6 | -178.1 | 174.8 | 170.6 | -1.7 | 106.6 | A2 V6 | A2-R4 PolarHBondContact O-N 2.88Å; R4-V6 PolarHBondContact O-N 3.42Å | ||
| 5 | H | 48.9 | Very low | 58.5 | Low | 144 Ų | 144 | 134.3 Ų | 134.3 | 67% | 0.667 | 72% | 0.723 | S | S | * | * | trans | -54.6 | 103.1 | 164.2 | -173.9 | -27.8 | 0 | 0 | 0 | 107.4 | S3 P7 | S3-H5 VanDerWaalsContact C-N 3.33Å; S3-H5 PolarHBondContact O-N 3.08Å; H5-P7 WeakPolarHBondContact O-CD 3.1Å | ||
| 6 | V | 48.5 | Very low | 59.9 | Low | 122 Ų | 122 | 133.6 Ų | 133.6 | 74% | 0.739 | 71% | 0.706 | S | S | * | * | trans | -68.1 | 117.9 | 165.9 | -179.3 | 0 | 0 | 0 | 0 | 105.1 | R4 | R4-V6 PolarHBondContact O-N 3.42Š| ||
| 7 | P | 50.9 | Low | 61.4 | Low | 104 Ų | 104 | 128.6 Ų | 128.6 | 68% | 0.675 | 69% | 0.689 | S | S | * | * | trans | -63.3 | 140.8 | -179.7 | 25.3 | -30 | 0 | 0 | 0 | 108.8 | H5 T9 | H5-P7 WeakPolarHBondContact O-CD 3.1Å; P7-T9 PolarHBondContact O-N 2.87Å | ||
| 8 | Y | 50.8 | Low | 62.9 | Low | 204 Ų | 204 | 124.5 Ų | 124.5 | 80% | 0.8 | 68% | 0.676 | S | S | * | * | trans | -41 | 126.1 | 178.5 | -94.6 | -103.9 | 0 | 0 | 0 | 111.6 | D10 | Y8-D10 PolarHBondContact O-N 3.4Å; Y8-D10 VanDerWaalsContact O-N 3.11Å | ||
| 9 | T | 58.1 | Low | 64.2 | Low | 122 Ų | 122 | 123.9 Ų | 123.9 | 75% | 0.748 | 67% | 0.668 | S | S | * | * | trans | -7.8 | 99.3 | 161.6 | 52.1 | 0 | 0 | 0 | 0 | 114.3 | P7 M11 | P7-T9 PolarHBondContact O-N 2.87Å; T9-M11 PolarHBondContact O-N 2.79Å | ||
| 10 | D | 60.6 | Low | 65.4 | Low | 153 Ų | 153 | 124.4 Ų | 124.4 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | trans | -56.8 | 110.7 | 159.6 | -92 | -36.5 | 0 | 0 | 0 | 107.3 | Y8 S12 | Y8-D10 PolarHBondContact O-N 3.4Å; Y8-D10 VanDerWaalsContact O-N 3.11Å; D10-S12 PolarHBondContact O-N 3.1Å; D10-S12 VanDerWaalsContact O-N 3.08Å | ||
| 11 | M | 61.7 | Low | 66.6 | Low | 95 Ų | 95 | 122.2 Ų | 122.2 | 47% | 0.468 | 66% | 0.657 | S | S | . | * | trans | -51.8 | 118.9 | 167.4 | -79 | -96.5 | -73 | 0 | 0 | 107.7 | T9 R16 | T9-M11 PolarHBondContact O-N 2.79Å; M11-R16 HydrophobicContact CB-CG 4.47Å; M11-R16 PolarHBondContact O-NH1 2.8Å | ||
| 12 | S | 77.7 | Confident | 68.9 | Low | 77 Ų | 77 | 115.5 Ų | 115.5 | 54% | 0.538 | 62% | 0.622 | S | S | . | * | trans | -48.1 | 148.3 | 173.7 | 174.8 | 0 | 0 | 0 | 0 | 110.1 | D10 M14 G15 R16 | D10-S12 PolarHBondContact O-N 3.1Å; D10-S12 VanDerWaalsContact O-N 3.08Å; S12-M14 PolarHBondContact O-N 3.46Å; S12-M14 PolarHBondContact OG-N 3.25Å; S12-G15 WeakPolarHBondContact O-CA 3.4Å; S12-G15 PolarHBondContact O-N 3.33Å; S12-R16 PolarHBondContact O-N 2.97Å; S12-R16 VanDerWaalsContact O-N 3.09Å | ||
| 13 | D | 79.9 | Confident | 71.1 | Confident | 115 Ų | 115 | 115.8 Ų | 115.8 | 62% | 0.615 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -48.1 | -33.7 | 172.7 | -72.1 | -46.4 | 0 | 0 | 0 | 112.5 | R16 A17 | D13-R16 PolarHBondContact O-N 3.4Å; D13-R16 IonicContact OD1-CZ 2.85Å; D13-R16 IonicContact OD1-NE 3.49Å; D13-R16 PolarHBondContact OD1-NE 3.49Å; D13-R16 IonicContact OD1-NH2 3.03Å; D13-R16 PolarHBondContact OD1-NH2 3.48Å; D13-A17 PolarHBondContact O-N 3.34Å |
| 14 | M | 76.9 | Confident | 73.4 | Confident | 152 Ų | 152 | 115.6 Ų | 115.6 | 75% | 0.749 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.5 | -38 | 175.1 | -158.6 | -165.8 | -48.1 | 0 | 0 | 112.8 | S12 A18 | S12-M14 PolarHBondContact O-N 3.46Å; S12-M14 PolarHBondContact OG-N 3.25Å; M14-A18 WeakPolarHBondContact O-CB 3.43Å; M14-A18 PolarHBondContact O-N 3.47Å |
| 15 | G | 83.1 | Confident | 75.4 | Confident | 23 Ų | 23 | 110 Ų | 110 | 24% | 0.237 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -69.3 | -38.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S12 A18 Q19 | S12-G15 WeakPolarHBondContact O-CA 3.4Å; S12-G15 PolarHBondContact O-N 3.33Å; G15-A18 PolarHBondContact O-N 3.02Å; G15-Q19 PolarHBondContact O-N 3.13Å |
| 16 | R | 81.6 | Confident | 77.5 | Confident | 122 Ų | 122 | 105.1 Ų | 105.1 | 46% | 0.46 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.4 | -46.5 | 172.9 | -72.7 | -170.2 | -83 | -104.1 | 7.2 | 111.7 | M11 S12 D13 A18 Q19 E20 | M11-R16 HydrophobicContact CB-CG 4.47Å; M11-R16 PolarHBondContact O-NH1 2.8Å; S12-R16 PolarHBondContact O-N 2.97Å; S12-R16 VanDerWaalsContact O-N 3.09Å; D13-R16 PolarHBondContact O-N 3.4Å; D13-R16 IonicContact OD1-CZ 2.85Å; D13-R16 IonicContact OD1-NE 3.49Å; D13-R16 PolarHBondContact OD1-NE 3.49Å; D13-R16 IonicContact OD1-NH2 3.03Å; D13-R16 PolarHBondContact OD1-NH2 3.48Å; R16-A18 VanDerWaalsContact C-N 3.32Å; R16-A18 PolarHBondContact O-N 2.81Å; R16-Q19 PolarHBondContact O-N 3Å; R16-E20 PolarHBondContact O-N 2.94Å |
| 17 | A | 85.6 | Confident | 79.7 | Confident | 50 Ų | 50 | 101.4 Ų | 101.4 | 41% | 0.413 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.3 | -36.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D13 T21 | D13-A17 PolarHBondContact O-N 3.34Å; A17-T21 WeakPolarHBondContact O-CG2 3.36Å; A17-T21 PolarHBondContact O-N 3.46Å; A17-T21 PolarHBondContact O-OG1 3.34Å |
| 18 | A | 87.6 | Confident | 81.7 | Confident | 54 Ų | 54 | 100.7 Ų | 100.7 | 45% | 0.446 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | M14 G15 R16 T21 E22 | M14-A18 WeakPolarHBondContact O-CB 3.43Å; M14-A18 PolarHBondContact O-N 3.47Å; G15-A18 PolarHBondContact O-N 3.02Å; R16-A18 VanDerWaalsContact C-N 3.32Å; R16-A18 PolarHBondContact O-N 2.81Å; A18-T21 WeakPolarHBondContact CA-OG1 3.45Å; A18-T21 PolarHBondContact O-N 3.16Å; A18-T21 PolarHBondContact O-OG1 2.73Å; A18-E22 PolarHBondContact O-N 3.17Å |
| 19 | Q | 87.1 | Confident | 83.7 | Confident | 114 Ų | 114 | 96.7 Ų | 96.7 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.9 | -39.6 | 177.7 | -166.3 | 174.4 | 2.7 | 0 | 0 | 112.1 | G15 R16 E22 I23 | G15-Q19 PolarHBondContact O-N 3.13Å; R16-Q19 PolarHBondContact O-N 3Å; Q19-E22 WeakPolarHBondContact O-CB 3.36Å; Q19-E22 PolarHBondContact O-N 2.74Å; Q19-I23 HydrophobicContact CG-CD1 4.4Å; Q19-I23 WeakPolarHBondContact O-CG1 3.38Å; Q19-I23 PolarHBondContact O-N 3.31Å |
| 20 | E | 88.6 | Confident | 85.4 | Confident | 133 Ų | 133 | 97.3 Ų | 97.3 | 62% | 0.621 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.1 | -41.7 | 175.6 | -171.3 | 171.9 | -165.1 | 0 | 0 | 111.8 | R16 E22 I23 Q24 | R16-E20 PolarHBondContact O-N 2.94Å; E20-E22 VanDerWaalsContact C-N 3.32Å; E20-E22 PolarHBondContact O-N 3.11Å; E20-I23 PolarHBondContact O-N 3.24Å; E20-Q24 PolarHBondContact O-N 3.49Å |
| 21 | T | 90.6 | Very high | 86.9 | Confident | 78 Ų | 78 | 95.3 Ų | 95.3 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.1 | -29 | 174.7 | 48.5 | 0 | 0 | 0 | 0 | 113.5 | A17 A18 R25 | A17-T21 WeakPolarHBondContact O-CG2 3.36Å; A17-T21 PolarHBondContact O-N 3.46Å; A17-T21 PolarHBondContact O-OG1 3.34Å; A18-T21 WeakPolarHBondContact CA-OG1 3.45Å; A18-T21 PolarHBondContact O-N 3.16Å; A18-T21 PolarHBondContact O-OG1 2.73Å; T21-R25 PolarHBondContact O-N 3.49Å; T21-R25 VanDerWaalsContact O-N 3.12Å; T21-R25 PolarHBondContact O-NE 2.72Å |
| 22 | E | 89.3 | Confident | 88.4 | Confident | 103 Ų | 103 | 96 Ų | 96 | 48% | 0.481 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.5 | -45.9 | 171.1 | -166 | 67.4 | -130.7 | 0 | 0 | 111.3 | A18 Q19 E20 Q24 R25 A26 | A18-E22 PolarHBondContact O-N 3.17Å; Q19-E22 WeakPolarHBondContact O-CB 3.36Å; Q19-E22 PolarHBondContact O-N 2.74Å; E20-E22 VanDerWaalsContact C-N 3.32Å; E20-E22 PolarHBondContact O-N 3.11Å; E22-Q24 VanDerWaalsContact C-N 3.33Å; E22-Q24 PolarHBondContact O-N 3.04Å; E22-R25 PolarHBondContact O-N 2.95Å; E22-R25 IonicContact OE1-CZ 2.88Å; E22-R25 IonicContact OE1-NH1 3.09Å; E22-R25 PolarHBondContact OE1-NH1 3.36Å; E22-R25 IonicContact OE2-CZ 3.65Å; E22-R25 IonicContact OE2-NH1 3.95Å; E22-R25 PolarHBondContact OE2-NH1 3.48Å; E22-R25 IonicContact OE2-NH2 3.6Å; E22-R25 PolarHBondContact OE2-NH2 2.97Å; E22-A26 PolarHBondContact O-N 3.49Å |
| 23 | I | 93.5 | Very high | 89 | Confident | 108 Ų | 108 | 97.3 Ų | 97.3 | 55% | 0.554 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61 | -42.8 | 176.6 | -67 | 164.7 | 0 | 0 | 0 | 110.7 | Q19 E20 R25 A26 A27 | Q19-I23 HydrophobicContact CG-CD1 4.4Å; Q19-I23 WeakPolarHBondContact O-CG1 3.38Å; Q19-I23 PolarHBondContact O-N 3.31Å; E20-I23 PolarHBondContact O-N 3.24Å; I23-R25 VanDerWaalsContact C-N 3.32Å; I23-R25 PolarHBondContact O-N 3.37Å; I23-A26 PolarHBondContact O-N 2.81Å; I23-A27 PolarHBondContact O-N 3.49Å |
| 24 | Q | 93.7 | Very high | 89.7 | Confident | 118 Ų | 118 | 97.5 Ų | 97.5 | 55% | 0.551 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.3 | -39.5 | 176.7 | -153.3 | 80.7 | 17.9 | 0 | 0 | 111.9 | E20 E22 N28 | E20-Q24 PolarHBondContact O-N 3.49Å; E22-Q24 VanDerWaalsContact C-N 3.33Å; E22-Q24 PolarHBondContact O-N 3.04Å; Q24-N28 PolarHBondContact O-N 2.98Å; Q24-N28 VanDerWaalsContact O-N 3.07Å |
| 25 | R | 89.7 | Confident | 90.5 | Very high | 118 Ų | 118 | 92.2 Ų | 92.2 | 45% | 0.445 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 175.4 | -88.7 | -175.8 | -77.3 | 115.8 | -1.9 | 111.8 | T21 E22 I23 N28 Q29 | T21-R25 PolarHBondContact O-N 3.49Å; T21-R25 VanDerWaalsContact O-N 3.12Å; T21-R25 PolarHBondContact O-NE 2.72Å; E22-R25 PolarHBondContact O-N 2.95Å; E22-R25 IonicContact OE1-CZ 2.88Å; E22-R25 IonicContact OE1-NH1 3.09Å; E22-R25 PolarHBondContact OE1-NH1 3.36Å; E22-R25 IonicContact OE2-CZ 3.65Å; E22-R25 IonicContact OE2-NH1 3.95Å; E22-R25 PolarHBondContact OE2-NH1 3.48Å; E22-R25 IonicContact OE2-NH2 3.6Å; E22-R25 PolarHBondContact OE2-NH2 2.97Å; I23-R25 VanDerWaalsContact C-N 3.32Å; I23-R25 PolarHBondContact O-N 3.37Å; R25-N28 PolarHBondContact O-N 2.97Å; R25-Q29 WeakPolarHBondContact O-CG 3.42Å; R25-Q29 PolarHBondContact O-N 3.37Å |
| 26 | A | 92.6 | Very high | 91 | Very high | 43 Ų | 43 | 98.7 Ų | 98.7 | 36% | 0.355 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E22 I23 Q29 Q30 | E22-A26 PolarHBondContact O-N 3.49Å; I23-A26 PolarHBondContact O-N 2.81Å; A26-Q29 PolarHBondContact O-N 2.85Å; A26-Q30 PolarHBondContact O-N 3.15Å |
| 27 | A | 93.2 | Very high | 91.7 | Very high | 43 Ų | 43 | 97.6 Ų | 97.6 | 36% | 0.355 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I23 Q29 Q30 L31 | I23-A27 PolarHBondContact O-N 3.49Å; A27-Q29 VanDerWaalsContact C-N 3.35Å; A27-Q29 PolarHBondContact O-N 3.18Å; A27-Q30 PolarHBondContact O-N 2.92Å; A27-L31 PolarHBondContact O-N 3.46Å; A27-L31 VanDerWaalsContact O-N 3.1Å |
| 28 | N | 92.9 | Very high | 91.9 | Very high | 90 Ų | 90 | 99.8 Ų | 99.8 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.8 | -37.2 | 174.6 | -85.1 | -12.8 | 0 | 0 | 0 | 112.4 | Q24 R25 L31 I32 | Q24-N28 PolarHBondContact O-N 2.98Å; Q24-N28 VanDerWaalsContact O-N 3.07Å; R25-N28 PolarHBondContact O-N 2.97Å; N28-L31 PolarHBondContact O-N 2.96Å; N28-I32 WeakPolarHBondContact O-CD1 3.45Å; N28-I32 VanDerWaalsContact O-CG1 3.25Å; N28-I32 WeakPolarHBondContact O-CG1 3.24Å; N28-I32 PolarHBondContact O-N 3.12Å; N28-I32 VanDerWaalsContact O-N 3.11Å |
| 29 | Q | 93.7 | Very high | 92.1 | Very high | 119 Ų | 119 | 104.4 Ų | 104.4 | 56% | 0.556 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.6 | -43.9 | 174.8 | -76 | 176.2 | -2.7 | 0 | 0 | 111.9 | R25 A26 A27 L31 I32 E33 | R25-Q29 WeakPolarHBondContact O-CG 3.42Å; R25-Q29 PolarHBondContact O-N 3.37Å; A26-Q29 PolarHBondContact O-N 2.85Å; A27-Q29 VanDerWaalsContact C-N 3.35Å; A27-Q29 PolarHBondContact O-N 3.18Å; Q29-L31 PolarHBondContact O-N 3.49Å; Q29-I32 PolarHBondContact O-N 3Å; Q29-E33 WeakPolarHBondContact O-CG 3.37Å; Q29-E33 PolarHBondContact O-N 3.07Å |
| 30 | Q | 93.3 | Very high | 92.3 | Very high | 136 Ų | 136 | 105.1 Ų | 105.1 | 64% | 0.636 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.7 | -42.8 | 176 | -76.7 | -176.8 | -7.1 | 0 | 0 | 112.5 | A26 A27 I32 E33 E34 | A26-Q30 PolarHBondContact O-N 3.15Å; A27-Q30 PolarHBondContact O-N 2.92Å; Q30-I32 VanDerWaalsContact C-N 3.31Å; Q30-I32 PolarHBondContact O-N 3.35Å; Q30-E33 PolarHBondContact O-N 2.94Å; Q30-E34 WeakPolarHBondContact O-CB 3.17Å; Q30-E34 PolarHBondContact O-N 3.26Å |
| 31 | L | 92.5 | Very high | 92.6 | Very high | 111 Ų | 111 | 106.4 Ų | 106.4 | 58% | 0.581 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.2 | -37.9 | 176 | -76.7 | 171 | 0 | 0 | 0 | 112.5 | A27 N28 Q29 G35 | A27-L31 PolarHBondContact O-N 3.46Å; A27-L31 VanDerWaalsContact O-N 3.1Å; N28-L31 PolarHBondContact O-N 2.96Å; Q29-L31 PolarHBondContact O-N 3.49Å; L31-G35 PolarHBondContact O-N 3.32Å |
| 32 | I | 92.7 | Very high | 92.6 | Very high | 110 Ų | 110 | 108.5 Ų | 108.5 | 56% | 0.564 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.1 | -41 | 176.7 | -68 | 165.3 | 0 | 0 | 0 | 110.9 | N28 Q29 Q30 R36 | N28-I32 WeakPolarHBondContact O-CD1 3.45Å; N28-I32 VanDerWaalsContact O-CG1 3.25Å; N28-I32 WeakPolarHBondContact O-CG1 3.24Å; N28-I32 PolarHBondContact O-N 3.12Å; N28-I32 VanDerWaalsContact O-N 3.11Å; Q29-I32 PolarHBondContact O-N 3Å; Q30-I32 VanDerWaalsContact C-N 3.31Å; Q30-I32 PolarHBondContact O-N 3.35Å; I32-R36 WeakPolarHBondContact O-CB 3.32Å; I32-R36 PolarHBondContact O-N 3.24Å |
| 33 | E | 91.6 | Very high | 92.5 | Very high | 104 Ų | 104 | 108.9 Ų | 108.9 | 49% | 0.486 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.4 | -45.3 | 175.8 | -74.2 | 174.6 | -179 | 0 | 0 | 112 | Q29 Q30 G35 R36 V37 | Q29-E33 WeakPolarHBondContact O-CG 3.37Å; Q29-E33 PolarHBondContact O-N 3.07Å; Q30-E33 PolarHBondContact O-N 2.94Å; E33-G35 PolarHBondContact O-N 3.47Å; E33-R36 WeakPolarHBondContact O-CB 3.37Å; E33-R36 PolarHBondContact O-N 2.87Å; E33-V37 WeakPolarHBondContact O-CG2 3.4Å; E33-V37 PolarHBondContact O-N 2.84Å |
| 34 | E | 93.4 | Very high | 92.2 | Very high | 119 Ų | 119 | 106.9 Ų | 106.9 | 56% | 0.556 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.5 | -44.5 | 176 | -169.8 | 179.3 | 178.9 | 0 | 0 | 111.4 | Q30 R36 V37 I38 | Q30-E34 WeakPolarHBondContact O-CB 3.17Å; Q30-E34 PolarHBondContact O-N 3.26Å; E34-R36 VanDerWaalsContact C-N 3.28Å; E34-R36 PolarHBondContact O-N 3.18Å; E34-V37 PolarHBondContact O-N 3.28Å; E34-I38 HydrophobicContact CG-CD1 4.16Å; E34-I38 WeakPolarHBondContact O-CG1 3.34Å; E34-I38 PolarHBondContact O-N 3.38Å |
| 35 | G | 94.1 | Very high | 92 | Very high | 40 Ų | 40 | 107 Ų | 107 | 41% | 0.412 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.8 | -37.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L31 E33 K39 | L31-G35 PolarHBondContact O-N 3.32Å; E33-G35 PolarHBondContact O-N 3.47Å; G35-K39 PolarHBondContact O-N 3.47Å |
| 36 | R | 94.4 | Very high | 91.7 | Very high | 159 Ų | 159 | 105.7 Ų | 105.7 | 60% | 0.6 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.3 | -43 | 176.2 | -161.6 | -171 | -32.4 | -175 | 11.9 | 111.9 | I32 E33 E34 I38 K39 H40 | I32-R36 WeakPolarHBondContact O-CB 3.32Å; I32-R36 PolarHBondContact O-N 3.24Å; E33-R36 WeakPolarHBondContact O-CB 3.37Å; E33-R36 PolarHBondContact O-N 2.87Å; E34-R36 VanDerWaalsContact C-N 3.28Å; E34-R36 PolarHBondContact O-N 3.18Å; R36-I38 VanDerWaalsContact C-N 3.33Å; R36-I38 PolarHBondContact O-N 3.43Å; R36-K39 PolarHBondContact O-N 2.93Å; R36-H40 WeakPolarHBondContact O-CB 3.28Å; R36-H40 PolarHBondContact O-N 2.82Å |
| 37 | V | 95 | Very high | 91.3 | Very high | 100 Ų | 100 | 109.5 Ų | 109.5 | 61% | 0.606 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.2 | -41.8 | 176.6 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | E33 E34 H40 K41 | E33-V37 WeakPolarHBondContact O-CG2 3.4Å; E33-V37 PolarHBondContact O-N 2.84Å; E34-V37 PolarHBondContact O-N 3.28Å; V37-H40 PolarHBondContact O-N 2.94Å; V37-K41 VanDerWaalsContact O-CB 3.3Å; V37-K41 WeakPolarHBondContact O-CB 3.47Å; V37-K41 PolarHBondContact O-N 3.07Å |
| 38 | I | 91.3 | Very high | 90.6 | Very high | 95 Ų | 95 | 114.3 Ų | 114.3 | 49% | 0.487 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.4 | -49 | 176.7 | -67.1 | 166.1 | 0 | 0 | 0 | 110.8 | E34 R36 H40 K41 E42 | E34-I38 HydrophobicContact CG-CD1 4.16Å; E34-I38 WeakPolarHBondContact O-CG1 3.34Å; E34-I38 PolarHBondContact O-N 3.38Å; R36-I38 VanDerWaalsContact C-N 3.33Å; R36-I38 PolarHBondContact O-N 3.43Å; I38-H40 VanDerWaalsContact C-N 3.33Å; I38-H40 PolarHBondContact O-N 2.79Å; I38-K41 WeakPolarHBondContact O-CB 3.33Å; I38-K41 PolarHBondContact O-N 2.92Å; I38-K41 VanDerWaalsContact O-N 3.15Å; I38-E42 PolarHBondContact O-N 3.38Å |
| 39 | K | 91.3 | Very high | 89.7 | Confident | 151 Ų | 151 | 114.3 Ų | 114.3 | 66% | 0.657 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.2 | -42.4 | 178 | -174.6 | -176.5 | 174.7 | -172.5 | 0 | 111.9 | G35 R36 K41 E42 L43 | G35-K39 PolarHBondContact O-N 3.47Å; R36-K39 PolarHBondContact O-N 2.93Å; K39-K41 VanDerWaalsContact C-N 3.33Å; K39-E42 PolarHBondContact O-N 2.94Å; K39-L43 HydrophobicContact CG-CD1 4.38Å; K39-L43 PolarHBondContact O-N 3.43Å |
| 40 | H | 91.7 | Very high | 88.6 | Confident | 129 Ų | 129 | 114.2 Ų | 114.2 | 60% | 0.597 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.3 | -38.3 | 177.1 | -167 | -65.4 | 0 | 0 | 0 | 111.6 | R36 V37 I38 E44 | R36-H40 WeakPolarHBondContact O-CB 3.28Å; R36-H40 PolarHBondContact O-N 2.82Å; V37-H40 PolarHBondContact O-N 2.94Å; I38-H40 VanDerWaalsContact C-N 3.33Å; I38-H40 PolarHBondContact O-N 2.79Å; H40-E44 WeakPolarHBondContact O-CB 3.49Å; H40-E44 PolarHBondContact O-N 3.47Å |
| 41 | K | 94.3 | Very high | 87.5 | Confident | 161 Ų | 161 | 112.5 Ų | 112.5 | 70% | 0.7 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.9 | -36.7 | 176 | -169.8 | 177.8 | -177.9 | -179.7 | 0 | 112.4 | V37 I38 K39 K45 | V37-K41 VanDerWaalsContact O-CB 3.3Å; V37-K41 WeakPolarHBondContact O-CB 3.47Å; V37-K41 PolarHBondContact O-N 3.07Å; I38-K41 WeakPolarHBondContact O-CB 3.33Å; I38-K41 PolarHBondContact O-N 2.92Å; I38-K41 VanDerWaalsContact O-N 3.15Å; K39-K41 VanDerWaalsContact C-N 3.33Å; K41-K45 PolarHBondContact O-N 2.85Å |
| 42 | E | 90.6 | Very high | 86.3 | Confident | 121 Ų | 121 | 113.5 Ų | 113.5 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.8 | -47.1 | 174.5 | -167.4 | 97.5 | -145 | 0 | 0 | 111.5 | I38 K39 E44 K45 M46 | I38-E42 PolarHBondContact O-N 3.38Å; K39-E42 PolarHBondContact O-N 2.94Å; E42-E44 VanDerWaalsContact C-N 3.33Å; E42-E44 PolarHBondContact O-N 3.23Å; E42-K45 WeakPolarHBondContact O-CB 3.26Å; E42-K45 PolarHBondContact O-N 2.87Å; E42-M46 PolarHBondContact O-N 2.98Å |
| 43 | L | 86.1 | Confident | 84.8 | Confident | 112 Ų | 112 | 116.2 Ų | 116.2 | 59% | 0.586 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.3 | -42.4 | 176 | -81.6 | 166 | 0 | 0 | 0 | 112 | K39 K45 M46 R47 | K39-L43 HydrophobicContact CG-CD1 4.38Å; K39-L43 PolarHBondContact O-N 3.43Å; L43-K45 VanDerWaalsContact C-N 3.32Å; L43-K45 PolarHBondContact O-N 3.24Å; L43-M46 PolarHBondContact O-N 3.36Å; L43-R47 PolarHBondContact O-N 3.46Å |
| 44 | E | 88.6 | Confident | 83 | Confident | 65 Ų | 65 | 117.8 Ų | 117.8 | 30% | 0.304 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.8 | -35.1 | 177.2 | -172.8 | 60.4 | -155.2 | 0 | 0 | 112.2 | H40 E42 R48 | H40-E44 WeakPolarHBondContact O-CB 3.49Å; H40-E44 PolarHBondContact O-N 3.47Å; E42-E44 VanDerWaalsContact C-N 3.33Å; E42-E44 PolarHBondContact O-N 3.23Å; E44-R48 WeakPolarHBondContact O-CB 3.38Å; E44-R48 PolarHBondContact O-N 2.9Å |
| 45 | K | 88.9 | Confident | 80.7 | Confident | 120 Ų | 120 | 120.1 Ų | 120.1 | 52% | 0.522 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.2 | -44.7 | 174.6 | -173 | -172.2 | 172.8 | -149.4 | 0 | 111.2 | K41 E42 L43 R48 E49 | K41-K45 PolarHBondContact O-N 2.85Å; E42-K45 WeakPolarHBondContact O-CB 3.26Å; E42-K45 PolarHBondContact O-N 2.87Å; L43-K45 VanDerWaalsContact C-N 3.32Å; L43-K45 PolarHBondContact O-N 3.24Å; K45-R48 PolarHBondContact O-N 3.46Å; K45-E49 VanDerWaalsContact CE-OE1 3.22Å; K45-E49 WeakPolarHBondContact CE-OE1 3.46Å; K45-E49 IonicContact NZ-OE1 3.75Å; K45-E49 WeakPolarHBondContact O-CG 3.28Å; K45-E49 PolarHBondContact O-N 2.93Å |
| 46 | M | 84.3 | Confident | 78.3 | Confident | 91 Ų | 91 | 123 Ų | 123 | 45% | 0.448 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.9 | -45 | 176.5 | -72.3 | -61.8 | -58.9 | 0 | 0 | 111.9 | E42 L43 R48 E49 E50 | E42-M46 PolarHBondContact O-N 2.98Å; L43-M46 PolarHBondContact O-N 3.36Å; M46-R48 VanDerWaalsContact C-N 3.31Å; M46-R48 PolarHBondContact O-N 3.16Å; M46-E49 PolarHBondContact O-N 3.37Å; M46-E49 VanDerWaalsContact O-N 3.13Å; M46-E50 PolarHBondContact O-N 2.92Å |
| 47 | R | 82.9 | Confident | 75.8 | Confident | 123 Ų | 123 | 121.1 Ų | 121.1 | 46% | 0.464 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -59 | -42.1 | 176.9 | -172.2 | -178.8 | 177.7 | -71 | -16 | 111.9 | L43 E49 E50 E51 | L43-R47 PolarHBondContact O-N 3.46Å; R47-E49 VanDerWaalsContact C-N 3.35Å; R47-E50 PolarHBondContact O-N 2.99Å; R47-E51 IonicContact CZ-OE1 2.78Å; R47-E51 VanDerWaalsContact NH1-CD 3.27Å; R47-E51 IonicContact NH1-OE1 2.83Å; R47-E51 PolarHBondContact NH1-OE1 2.95Å; R47-E51 IonicContact NH1-OE2 2.71Å; R47-E51 PolarHBondContact NH1-OE2 3.12Å; R47-E51 IonicContact NH2-OE1 3.29Å; R47-E51 PolarHBondContact NH2-OE1 2.87Å; R47-E51 PolarHBondContact O-N 3.46Å |
| 48 | R | 78.4 | Confident | 72.9 | Confident | 144 Ų | 144 | 122 Ų | 122 | 54% | 0.543 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -70.5 | -29.3 | 177.8 | -162.6 | 179.4 | -90.8 | 122.5 | -3.3 | 112.5 | E44 K45 M46 N52 | E44-R48 WeakPolarHBondContact O-CB 3.38Å; E44-R48 PolarHBondContact O-N 2.9Å; K45-R48 PolarHBondContact O-N 3.46Å; M46-R48 VanDerWaalsContact C-N 3.31Å; M46-R48 PolarHBondContact O-N 3.16Å; R48-N52 PolarHBondContact O-N 3.39Å; R48-N52 PolarHBondContact O-ND2 3.4Å |
| 49 | E | 75.6 | Confident | 70.3 | Confident | 90 Ų | 90 | 126.5 Ų | 126.5 | 42% | 0.421 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -73.2 | -31.1 | 172.2 | -74.8 | 177.8 | -166.6 | 0 | 0 | 112.8 | K45 M46 R47 | K45-E49 VanDerWaalsContact CE-OE1 3.22Å; K45-E49 WeakPolarHBondContact CE-OE1 3.46Å; K45-E49 IonicContact NZ-OE1 3.75Å; K45-E49 WeakPolarHBondContact O-CG 3.28Å; K45-E49 PolarHBondContact O-N 2.93Å; M46-E49 PolarHBondContact O-N 3.37Å; M46-E49 VanDerWaalsContact O-N 3.13Å; R47-E49 VanDerWaalsContact C-N 3.35Å |
| 50 | E | 69.9 | Low | 67.7 | Low | 117 Ų | 117 | 129.8 Ų | 129.8 | 55% | 0.547 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -73.6 | -45.5 | 173.3 | -74.4 | 178.1 | 169.2 | 0 | 0 | 112.1 | M46 R47 N52 K53 | M46-E50 PolarHBondContact O-N 2.92Å; R47-E50 PolarHBondContact O-N 2.99Å; E50-N52 PolarHBondContact O-N 3.15Å; E50-K53 PolarHBondContact O-N 3.35Å |
| 51 | E | 70.9 | Confident | 65.4 | Low | 101 Ų | 101 | 129.6 Ų | 129.6 | 47% | 0.472 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -59 | -30.9 | 177.3 | -78.5 | -178.7 | 158.5 | 0 | 0 | 112.7 | R47 K53 | R47-E51 IonicContact CZ-OE1 2.78Å; R47-E51 VanDerWaalsContact NH1-CD 3.27Å; R47-E51 IonicContact NH1-OE1 2.83Å; R47-E51 PolarHBondContact NH1-OE1 2.95Å; R47-E51 IonicContact NH1-OE2 2.71Å; R47-E51 PolarHBondContact NH1-OE2 3.12Å; R47-E51 IonicContact NH2-OE1 3.29Å; R47-E51 PolarHBondContact NH2-OE1 2.87Å; R47-E51 PolarHBondContact O-N 3.46Å; E51-K53 VanDerWaalsContact C-N 3.27Å; E51-K53 PolarHBondContact O-N 2.87Å |
| 52 | N | 65.9 | Low | 62.4 | Low | 132 Ų | 132 | 128.6 Ų | 128.6 | 71% | 0.706 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -11.5 | 176.1 | -73.9 | -36.7 | 0 | 0 | 0 | 114 | R48 E50 | R48-N52 PolarHBondContact O-N 3.39Å; R48-N52 PolarHBondContact O-ND2 3.4Å; E50-N52 PolarHBondContact O-N 3.15Å |
| 53 | K | 61.4 | Low | 60.1 | Low | 167 Ų | 167 | 129.5 Ų | 129.5 | 73% | 0.726 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -24 | -179.7 | -83.8 | 175.8 | 178.7 | 167 | 0 | 113.9 | E50 E51 D55 | E50-K53 PolarHBondContact O-N 3.35Å; E51-K53 VanDerWaalsContact C-N 3.27Å; E51-K53 PolarHBondContact O-N 2.87Å; K53-D55 PolarHBondContact O-N 3.4Å |
| 54 | D | 54.3 | Low | 57.7 | Low | 137 Ų | 137 | 132.1 Ų | 132.1 | 73% | 0.733 | 67% | 0.673 | S | S | * | * | trans | -89.1 | 2.5 | -166.6 | -75.6 | -17.2 | 0 | 0 | 0 | 115.2 | S56 | D54-S56 PolarHBondContact O-N 3.24Š| ||
| 55 | D | 44.1 | Very low | 55.3 | Low | 167 Ų | 167 | 135 Ų | 135 | 89% | 0.893 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -77.2 | 18.1 | 179.8 | -135.7 | 10.1 | 0 | 0 | 0 | 114.2 | K53 | K53-D55 PolarHBondContact O-N 3.4Š|
| 56 | S | 43.5 | Very low | 52.7 | Low | 100 Ų | 100 | 139.4 Ų | 139.4 | 70% | 0.699 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -142.1 | 67.7 | -176.6 | -179.7 | 0 | 0 | 0 | 0 | 112.6 | D54 | D54-S56 PolarHBondContact O-N 3.24Š|
| 57 | S | 42.6 | Very low | 50.5 | Low | 121 Ų | 121 | 140.4 Ų | 140.4 | 85% | 0.846 | 72% | 0.719 | S | S | * | * | trans | 178.8 | 98.6 | 139.1 | 39.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 58 | S | 33.4 | Very low | 48.4 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -80.9 | 132 | 160.5 | -59.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 59 | E | 38.1 | Very low | 46.4 | Very low | 191 Ų | 191 | 142.3 Ų | 142.3 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | 156.7 | 114.9 | 126.2 | -85.4 | -175.8 | 173.9 | 0 | 0 | 111.5 | |||||
| 60 | R | 35.8 | Very low | 44.7 | Very low | 220 Ų | 220 | 141.5 Ų | 141.5 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | trans | -77.2 | 149.8 | 169 | -69.7 | 174.5 | 163.6 | -151.7 | -1.8 | 110.3 | ||||
| 61 | P | 43.4 | Very low | 43.4 | Very low | 124 Ų | 124 | 141.7 Ų | 141.7 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | trans | -139.6 | 131.9 | 132.9 | 27.4 | -9 | 0 | 0 | 0 | 114 | ||||
| 62 | D | 32.3 | Very low | 41.8 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | trans | -73.6 | 127 | 172.9 | -65.1 | -54.9 | 0 | 0 | 0 | 111.8 | ||||
| 63 | V | 41.5 | Very low | 40.7 | Very low | 139 Ų | 139 | 143 Ų | 143 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | trans | -144.2 | 130.5 | 156 | -176.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 64 | I | 35.2 | Very low | 39.7 | Very low | 168 Ų | 168 | 146 Ų | 146 | 86% | 0.862 | 81% | 0.811 | S | S | * | * | trans | -71.9 | 144.6 | -167.2 | -67.6 | 162.3 | 0 | 0 | 0 | 113.7 | ||||
| 65 | I | 38.7 | Very low | 39 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 64% | 0.641 | 82% | 0.818 | S | S | * | * | trans | -92.1 | 136.9 | -163.1 | -61.4 | 163.9 | 0 | 0 | 0 | 111.7 | V67 | I65-V67 HydrophobicContact CG2-CG2 4.11Š| ||
| 66 | K | 34.9 | Very low | 38.7 | Very low | 213 Ų | 213 | 145.6 Ų | 145.6 | 93% | 0.926 | 82% | 0.818 | S | S | * | * | trans | -134.6 | 119.6 | 154.8 | -148.6 | 172.2 | -173.3 | 176.5 | 0 | 110.8 | ||||
| 67 | V | 38.1 | Very low | 38.2 | Very low | 112 Ų | 112 | 145.7 Ų | 145.7 | 68% | 0.679 | 82% | 0.819 | S | S | * | * | trans | -87.9 | 137.6 | -165.3 | -134.7 | 0 | 0 | 0 | 0 | 110.5 | I65 | I65-V67 HydrophobicContact CG2-CG2 4.11Š| ||
| 68 | N | 39.2 | Very low | 38 | Very low | 163 Ų | 163 | 148.3 Ų | 148.3 | 87% | 0.872 | 82% | 0.818 | S | S | * | * | trans | -154.9 | 131.6 | 143.2 | -163.2 | 30 | 0 | 0 | 0 | 111.7 | ||||
| 69 | N | 36.2 | Very low | 38.4 | Very low | 144 Ų | 144 | 154.4 Ų | 154.4 | 77% | 0.77 | 82% | 0.823 | S | S | * | * | trans | -78.2 | 140.4 | -166.3 | -68 | -3.8 | 0 | 0 | 0 | 113 | ||||
| 70 | G | 38.4 | Very low | 38.4 | Very low | 73 Ų | 73 | 151.2 Ų | 151.2 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | -157.3 | 79.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 71 | S | 42.8 | Very low | 38.8 | Very low | 121 Ų | 121 | 146.7 Ų | 146.7 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | 43.9 | 107.9 | 144.6 | -58 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 72 | T | 37.5 | Very low | 38.7 | Very low | 140 Ų | 140 | 144.8 Ų | 144.8 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | trans | -52.4 | 125.5 | 157.5 | 56 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 73 | S | 42.7 | Very low | 38.8 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | -132.7 | 124.5 | 155.2 | 62.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 74 | R | 41.3 | Very low | 38.8 | Very low | 230 Ų | 230 | 146.6 Ų | 146.6 | 87% | 0.868 | 82% | 0.822 | S | S | * | * | trans | -74.7 | 137 | -171.3 | -64.3 | 167.2 | 172 | 171 | -5.1 | 111.1 | ||||
| 75 | L | 38.4 | Very low | 38.9 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | 42.9 | 100.3 | 133.9 | -53.5 | 170.7 | 0 | 0 | 0 | 117.5 | ||||
| 76 | S | 39 | Very low | 38.9 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | trans | -146.8 | 96.3 | 134.2 | 77.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 77 | S | 33.6 | Very low | 38.8 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | trans | -92.1 | 146.3 | 176.9 | -161.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 78 | Q | 36.6 | Very low | 39.2 | Very low | 176 Ų | 176 | 136.8 Ų | 136.8 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | 74.6 | 96.1 | 165.2 | -52 | -178.1 | -0.5 | 0 | 0 | 116.8 | ||||
| 79 | R | 42.1 | Very low | 39.3 | Very low | 245 Ų | 245 | 134.4 Ų | 134.4 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | 175.9 | 91.8 | 134.5 | -96.8 | 170 | 123.9 | -142 | -7.7 | 110.7 | ||||
| 80 | S | 39.5 | Very low | 39.9 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | 166.3 | 98.1 | 147.5 | 39.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 81 | S | 42.7 | Very low | 40.5 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | trans | -152.7 | 58.7 | 168.9 | 66.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 82 | A | 41.4 | Very low | 41 | Very low | 83 Ų | 83 | 139.9 Ų | 139.9 | 69% | 0.686 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -147.9 | 140.4 | 156 | 0 | 0 | 0 | 0 | 0 | 104.3 | ||
| 83 | D | 34.2 | Very low | 41.9 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | 89.3 | 59.3 | -179.1 | -46.7 | -32 | 0 | 0 | 0 | 117.1 | ||||
| 84 | L | 41.7 | Very low | 42.5 | Very low | 165 Ų | 165 | 136.2 Ų | 136.2 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | trans | -137.8 | 64.3 | 143.5 | -80.2 | 179 | 0 | 0 | 0 | 109.8 | S86 | L84-S86 VanDerWaalsContact C-N 3.3Š| ||
| 85 | A | 38.2 | Very low | 43.9 | Very low | 90 Ų | 90 | 127.7 Ų | 127.7 | 74% | 0.744 | 74% | 0.738 | S | S | * | * | trans | -92 | 19.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S87 | A85-S87 PolarHBondContact O-N 3.44Å; A85-S87 PolarHBondContact O-OG 2.89Å | ||
| 86 | S | 38.7 | Very low | 45.8 | Very low | 91 Ų | 91 | 128.9 Ų | 128.9 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | trans | -87.6 | 81 | 164.6 | 63.9 | 0 | 0 | 0 | 0 | 108.7 | L84 | L84-S86 VanDerWaalsContact C-N 3.3Š| ||
| 87 | S | 32.9 | Very low | 47.9 | Very low | 92 Ų | 92 | 127.7 Ų | 127.7 | 64% | 0.643 | 71% | 0.711 | S | S | * | * | 50.5 | 99.7 | 84.7 | -66.3 | 0 | 0 | 0 | 0 | 113.7 | A85 | A85-S87 PolarHBondContact O-N 3.44Å; A85-S87 PolarHBondContact O-OG 2.89Å | |||
| 88 | I | 45.5 | Very low | 50.3 | Low | 139 Ų | 139 | 127.2 Ų | 127.2 | 71% | 0.713 | 70% | 0.7 | S | S | * | * | S | Bend | 109.7 | -18.4 | 124.2 | -64.3 | 163.1 | 0 | 0 | 0 | 119.3 | |||
| 89 | S | 42 | Very low | 52.6 | Low | 113 Ų | 113 | 126.6 Ų | 126.6 | 79% | 0.79 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -116.6 | -17.5 | -172.4 | -151 | 0 | 0 | 0 | 0 | 118.5 | R91 | S89-R91 PolarHBondContact O-N 2.85Š|
| 90 | S | 48.8 | Very low | 54.7 | Low | 89 Ų | 89 | 117.1 Ų | 117.1 | 62% | 0.622 | 66% | 0.664 | S | S | * | * | trans | -96.3 | 29.8 | -177.3 | 28.7 | 0 | 0 | 0 | 0 | 114.3 | N92 L93 | S90-N92 PolarHBondContact O-N 3.05Å; S90-L93 PolarHBondContact O-N 3.03Å | ||
| 91 | R | 50.6 | Low | 57 | Low | 217 Ų | 217 | 114.9 Ų | 114.9 | 82% | 0.819 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 0.8 | 169.8 | -70.6 | -172.6 | -175.6 | 165.7 | 2.7 | 114 | S89 | S89-R91 PolarHBondContact O-N 2.85Š|
| 92 | N | 52.7 | Low | 59.1 | Low | 146 Ų | 146 | 113 Ų | 113 | 78% | 0.781 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | 28.1 | 174.7 | -60.4 | -25.8 | 0 | 0 | 0 | 112.6 | S90 D94 | S90-N92 PolarHBondContact O-N 3.05Å; N92-D94 PolarHBondContact O-N 3.36Å |
| 93 | L | 56.9 | Low | 61.5 | Low | 86 Ų | 86 | 114 Ų | 114 | 45% | 0.45 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -61.1 | 97.3 | 142 | -89.7 | 82.1 | 0 | 0 | 0 | 104.1 | S90 A95 | S90-L93 PolarHBondContact O-N 3.03Å; L93-A95 PolarHBondContact O-N 3.48Å |
| 94 | D | 56.6 | Low | 64.2 | Low | 99 Ų | 99 | 111.7 Ų | 111.7 | 53% | 0.529 | 60% | 0.598 | S | S | . | * | trans | -50.7 | 137.1 | -169.7 | -158.9 | -0.9 | 0 | 0 | 0 | 107.1 | N92 R96 E97 L98 | N92-D94 PolarHBondContact O-N 3.36Å; D94-R96 HydrophobicContact CB-CB 4.29Å; D94-R96 CarbonylContact O-C 3.48Å; D94-R96 PolarHBondContact O-N 2.74Å; D94-E97 HydrophobicContact CB-CB 4.45Å; D94-E97 WeakPolarHBondContact O-CA 3.26Å; D94-E97 PolarHBondContact O-N 3.32Å; D94-L98 PolarHBondContact O-N 3.08Å; D94-L98 VanDerWaalsContact O-N 3.09Å | ||
| 95 | A | 70.9 | Confident | 66.6 | Low | 51 Ų | 51 | 108.6 Ų | 108.6 | 42% | 0.421 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -53.2 | -21.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L93 R99 | L93-A95 PolarHBondContact O-N 3.48Å; A95-R99 WeakPolarHBondContact O-CB 3.31Å; A95-R99 WeakPolarHBondContact O-CG 3.26Å; A95-R99 PolarHBondContact O-N 3.04Å; A95-R99 VanDerWaalsContact O-N 3.14Å; A95-R99 PolarHBondContact O-NH1 2.94Å |
| 96 | R | 78.4 | Confident | 69.2 | Low | 192 Ų | 192 | 110.5 Ų | 110.5 | 73% | 0.725 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.1 | -44.9 | 168.9 | -168.2 | 175.6 | -175.2 | 168.3 | 1.3 | 114.6 | D94 R99 A100 | D94-R96 HydrophobicContact CB-CB 4.29Å; D94-R96 CarbonylContact O-C 3.48Å; D94-R96 PolarHBondContact O-N 2.74Å; R96-R99 PolarHBondContact O-N 3.24Å; R96-A100 WeakPolarHBondContact O-CB 3.4Å; R96-A100 PolarHBondContact O-N 2.98Å |
| 97 | E | 82.7 | Confident | 71.7 | Confident | 101 Ų | 101 | 112.6 Ų | 112.6 | 47% | 0.472 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.8 | -41.6 | 178.2 | -168.9 | 176.9 | -175.1 | 0 | 0 | 111.2 | D94 R99 A100 Q101 | D94-E97 HydrophobicContact CB-CB 4.45Å; D94-E97 WeakPolarHBondContact O-CA 3.26Å; D94-E97 PolarHBondContact O-N 3.32Å; E97-R99 VanDerWaalsContact C-N 3.31Å; E97-R99 PolarHBondContact O-N 3.03Å; E97-A100 WeakPolarHBondContact O-CB 3.48Å; E97-A100 PolarHBondContact O-N 3.38Å; E97-A100 VanDerWaalsContact O-N 3.12Å; E97-Q101 WeakPolarHBondContact O-CG 3.47Å; E97-Q101 PolarHBondContact O-N 3.36Å |
| 98 | L | 82.5 | Confident | 74.7 | Confident | 94 Ų | 94 | 114.8 Ų | 114.8 | 49% | 0.492 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.2 | -40.3 | 173.6 | -170.3 | 67.5 | 0 | 0 | 0 | 111.3 | D94 Q101 L102 | D94-L98 PolarHBondContact O-N 3.08Å; D94-L98 VanDerWaalsContact O-N 3.09Å; L98-Q101 PolarHBondContact O-N 3.09Å; L98-L102 WeakPolarHBondContact O-CB 3.45Å; L98-L102 VanDerWaalsContact O-CG 3.31Å; L98-L102 WeakPolarHBondContact O-CG 3.32Å; L98-L102 PolarHBondContact O-N 2.85Å |
| 99 | R | 85 | Confident | 77 | Confident | 162 Ų | 162 | 112.7 Ų | 112.7 | 61% | 0.611 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.5 | -39.3 | 171.7 | -78.3 | 179.2 | -154.4 | 107.1 | -6.7 | 112.6 | A95 R96 E97 L102 L103 | A95-R99 WeakPolarHBondContact O-CB 3.31Å; A95-R99 WeakPolarHBondContact O-CG 3.26Å; A95-R99 PolarHBondContact O-N 3.04Å; A95-R99 VanDerWaalsContact O-N 3.14Å; A95-R99 PolarHBondContact O-NH1 2.94Å; R96-R99 PolarHBondContact O-N 3.24Å; E97-R99 VanDerWaalsContact C-N 3.31Å; E97-R99 PolarHBondContact O-N 3.03Å; R99-L102 PolarHBondContact O-N 3Å; R99-L103 WeakPolarHBondContact O-CB 3.48Å; R99-L103 PolarHBondContact O-N 3.42Å |
| 100 | A | 86.5 | Confident | 79.5 | Confident | 47 Ų | 47 | 113.6 Ų | 113.6 | 39% | 0.388 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.3 | -40.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R96 E97 L103 Q104 | R96-A100 WeakPolarHBondContact O-CB 3.4Å; R96-A100 PolarHBondContact O-N 2.98Å; E97-A100 WeakPolarHBondContact O-CB 3.48Å; E97-A100 PolarHBondContact O-N 3.38Å; E97-A100 VanDerWaalsContact O-N 3.12Å; A100-L103 PolarHBondContact O-N 3.14Å; A100-Q104 WeakPolarHBondContact O-CB 3.38Å; A100-Q104 WeakPolarHBondContact O-CG 3.46Å; A100-Q104 PolarHBondContact O-N 3.4Å |
| 101 | Q | 88 | Confident | 81.6 | Confident | 75 Ų | 75 | 111.2 Ų | 111.2 | 35% | 0.35 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 174.1 | -70.7 | 176 | 17.5 | 0 | 0 | 111.7 | E97 L98 Q104 L105 | E97-Q101 WeakPolarHBondContact O-CG 3.47Å; E97-Q101 PolarHBondContact O-N 3.36Å; L98-Q101 PolarHBondContact O-N 3.09Å; Q101-Q104 PolarHBondContact O-N 3.22Å; Q101-L105 WeakPolarHBondContact O-CB 3.3Å; Q101-L105 VanDerWaalsContact O-CG 3.29Å; Q101-L105 WeakPolarHBondContact O-CG 3.19Å; Q101-L105 PolarHBondContact O-N 3.4Å |
| 102 | L | 87 | Confident | 83.8 | Confident | 88 Ų | 88 | 103.9 Ų | 103.9 | 46% | 0.461 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 172.9 | -75.7 | 171.2 | 0 | 0 | 0 | 111.3 | L98 R99 Q104 L105 E106 | L98-L102 WeakPolarHBondContact O-CB 3.45Å; L98-L102 VanDerWaalsContact O-CG 3.31Å; L98-L102 WeakPolarHBondContact O-CG 3.32Å; L98-L102 PolarHBondContact O-N 2.85Å; R99-L102 PolarHBondContact O-N 3Å; L102-Q104 PolarHBondContact O-N 3.03Å; L102-L105 PolarHBondContact O-N 3.23Å; L102-E106 WeakPolarHBondContact O-CB 3.44Å; L102-E106 VanDerWaalsContact O-CG 3.29Å; L102-E106 WeakPolarHBondContact O-CG 3.31Å; L102-E106 PolarHBondContact O-N 3.05Å |
| 103 | L | 90.8 | Very high | 85.8 | Confident | 103 Ų | 103 | 102.3 Ų | 102.3 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 176.9 | -171 | 156 | 0 | 0 | 0 | 111.8 | R99 A100 L105 E106 E107 | R99-L103 WeakPolarHBondContact O-CB 3.48Å; R99-L103 PolarHBondContact O-N 3.42Å; A100-L103 PolarHBondContact O-N 3.14Å; L103-L105 VanDerWaalsContact C-N 3.34Å; L103-L105 PolarHBondContact O-N 2.79Å; L103-E106 PolarHBondContact O-N 2.99Å; L103-E107 WeakPolarHBondContact O-CB 3.48Å; L103-E107 PolarHBondContact O-N 3.02Å |
| 104 | Q | 92.1 | Very high | 87.5 | Confident | 106 Ų | 106 | 103.6 Ų | 103.6 | 50% | 0.495 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.1 | -37.8 | 175 | -76.9 | -178.4 | -2.4 | 0 | 0 | 112.6 | A100 Q101 L102 K108 | A100-Q104 WeakPolarHBondContact O-CB 3.38Å; A100-Q104 WeakPolarHBondContact O-CG 3.46Å; A100-Q104 PolarHBondContact O-N 3.4Å; Q101-Q104 PolarHBondContact O-N 3.22Å; L102-Q104 PolarHBondContact O-N 3.03Å; Q104-K108 WeakPolarHBondContact O-CB 3.28Å; Q104-K108 WeakPolarHBondContact O-CG 3.45Å; Q104-K108 PolarHBondContact O-N 3.4Å |
| 105 | L | 92 | Very high | 89.2 | Confident | 100 Ų | 100 | 101.9 Ų | 101.9 | 52% | 0.524 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.5 | -42.5 | 175.2 | -73.4 | 172.8 | 0 | 0 | 0 | 110.9 | Q101 L102 L103 E107 K108 V109 | Q101-L105 WeakPolarHBondContact O-CB 3.3Å; Q101-L105 VanDerWaalsContact O-CG 3.29Å; Q101-L105 WeakPolarHBondContact O-CG 3.19Å; Q101-L105 PolarHBondContact O-N 3.4Å; L102-L105 PolarHBondContact O-N 3.23Å; L103-L105 VanDerWaalsContact C-N 3.34Å; L103-L105 PolarHBondContact O-N 2.79Å; L105-E107 PolarHBondContact O-N 2.94Å; L105-K108 PolarHBondContact O-N 3.07Å; L105-V109 WeakPolarHBondContact O-CB 3.36Å; L105-V109 VanDerWaalsContact O-CG2 3.26Å; L105-V109 WeakPolarHBondContact O-CG2 3.33Å; L105-V109 PolarHBondContact O-N 3.37Å |
| 106 | E | 91.9 | Very high | 90.3 | Very high | 130 Ų | 130 | 104.7 Ų | 104.7 | 61% | 0.607 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.2 | -44.8 | 173.9 | -74.9 | 171.4 | -173 | 0 | 0 | 111.5 | L102 L103 V109 K110 | L102-E106 WeakPolarHBondContact O-CB 3.44Å; L102-E106 VanDerWaalsContact O-CG 3.29Å; L102-E106 WeakPolarHBondContact O-CG 3.31Å; L102-E106 PolarHBondContact O-N 3.05Å; L103-E106 PolarHBondContact O-N 2.99Å; E106-V109 PolarHBondContact O-N 3.18Å; E106-K110 WeakPolarHBondContact O-CB 3.46Å; E106-K110 PolarHBondContact O-N 3.46Å |
| 107 | E | 92.7 | Very high | 91.2 | Very high | 135 Ų | 135 | 100.1 Ų | 100.1 | 63% | 0.631 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.5 | -42.3 | 176.3 | -173.6 | 175.8 | -161.6 | 0 | 0 | 111.8 | L103 L105 K110 G111 | L103-E107 WeakPolarHBondContact O-CB 3.48Å; L103-E107 PolarHBondContact O-N 3.02Å; L105-E107 PolarHBondContact O-N 2.94Å; E107-K110 PolarHBondContact O-N 3.11Å; E107-G111 PolarHBondContact O-N 3.45Å |
| 108 | K | 94.5 | Very high | 91.8 | Very high | 138 Ų | 138 | 99.3 Ų | 99.3 | 60% | 0.6 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.8 | -40.8 | 175.1 | -76.2 | 171.4 | -176.6 | 175.5 | 0 | 112.3 | Q104 L105 K110 G111 A112 | Q104-K108 WeakPolarHBondContact O-CB 3.28Å; Q104-K108 WeakPolarHBondContact O-CG 3.45Å; Q104-K108 PolarHBondContact O-N 3.4Å; L105-K108 PolarHBondContact O-N 3.07Å; K108-K110 VanDerWaalsContact C-N 3.35Å; K108-G111 PolarHBondContact O-N 2.88Å; K108-A112 WeakPolarHBondContact O-CB 3.39Å; K108-A112 PolarHBondContact O-N 3.27Å |
| 109 | V | 94.3 | Very high | 92.5 | Very high | 94 Ų | 94 | 99.7 Ų | 99.7 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.8 | -43.2 | 175.4 | 168.9 | 0 | 0 | 0 | 0 | 110.1 | L105 E106 A112 M113 | L105-V109 WeakPolarHBondContact O-CB 3.36Å; L105-V109 VanDerWaalsContact O-CG2 3.26Å; L105-V109 WeakPolarHBondContact O-CG2 3.33Å; L105-V109 PolarHBondContact O-N 3.37Å; E106-V109 PolarHBondContact O-N 3.18Å; V109-A112 PolarHBondContact O-N 3.07Å; V109-M113 VanDerWaalsContact O-CB 3.31Å; V109-M113 WeakPolarHBondContact O-CB 3.29Å; V109-M113 PolarHBondContact O-N 3.21Å |
| 110 | K | 94.4 | Very high | 93.1 | Very high | 133 Ų | 133 | 95.2 Ų | 95.2 | 58% | 0.578 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.4 | -44.6 | 174.8 | -171 | 176.9 | -178.5 | 177.4 | 0 | 111.8 | E106 E107 K108 M113 L114 | E106-K110 WeakPolarHBondContact O-CB 3.46Å; E106-K110 PolarHBondContact O-N 3.46Å; E107-K110 PolarHBondContact O-N 3.11Å; K108-K110 VanDerWaalsContact C-N 3.35Å; K110-M113 PolarHBondContact O-N 3.42Å; K110-L114 HydrophobicContact CG-CD1 4.44Å; K110-L114 WeakPolarHBondContact O-CG 3.34Å; K110-L114 PolarHBondContact O-N 2.96Å |
| 111 | G | 93.7 | Very high | 93.5 | Very high | 39 Ų | 39 | 97.4 Ų | 97.4 | 40% | 0.402 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E107 K108 L114 S115 | E107-G111 PolarHBondContact O-N 3.45Å; K108-G111 PolarHBondContact O-N 2.88Å; G111-L114 PolarHBondContact O-N 3.18Å; G111-S115 WeakPolarHBondContact O-CB 3.29Å; G111-S115 PolarHBondContact O-N 2.95Å |
| 112 | A | 95.2 | Very high | 94 | Very high | 62 Ų | 62 | 96.9 Ų | 96.9 | 51% | 0.512 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K108 V109 S115 N116 | K108-A112 WeakPolarHBondContact O-CB 3.39Å; K108-A112 PolarHBondContact O-N 3.27Å; V109-A112 PolarHBondContact O-N 3.07Å; A112-S115 PolarHBondContact O-N 3.23Å; A112-N116 VanDerWaalsContact O-CB 3.27Å; A112-N116 WeakPolarHBondContact O-CB 3.35Å; A112-N116 PolarHBondContact O-N 2.64Å |
| 113 | M | 95.4 | Very high | 94.4 | Very high | 114 Ų | 114 | 99.2 Ų | 99.2 | 56% | 0.562 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.9 | -44.2 | 176.3 | -178 | 168.2 | 43.5 | 0 | 0 | 111.6 | V109 K110 N116 V117 | V109-M113 VanDerWaalsContact O-CB 3.31Å; V109-M113 WeakPolarHBondContact O-CB 3.29Å; V109-M113 PolarHBondContact O-N 3.21Å; K110-M113 PolarHBondContact O-N 3.42Å; M113-N116 PolarHBondContact O-N 3.38Å; M113-V117 VanDerWaalsContact O-CG2 3.29Å; M113-V117 WeakPolarHBondContact O-CG2 3.38Å; M113-V117 PolarHBondContact O-N 2.93Å |
| 114 | L | 92.6 | Very high | 94.8 | Very high | 112 Ų | 112 | 98.5 Ų | 98.5 | 59% | 0.586 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.1 | -43.3 | 174.2 | -73.1 | 171.1 | 0 | 0 | 0 | 112.3 | K110 G111 N116 V117 Q118 | K110-L114 HydrophobicContact CG-CD1 4.44Å; K110-L114 WeakPolarHBondContact O-CG 3.34Å; K110-L114 PolarHBondContact O-N 2.96Å; G111-L114 PolarHBondContact O-N 3.18Å; L114-N116 VanDerWaalsContact C-N 3.32Å; L114-N116 PolarHBondContact O-N 3.49Å; L114-V117 PolarHBondContact O-N 3.43Å; L114-Q118 PolarHBondContact O-N 2.91Å |
| 115 | S | 93.5 | Very high | 95 | Very high | 63 Ų | 63 | 98.7 Ų | 98.7 | 44% | 0.441 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.9 | -38 | 174.4 | -176.1 | 0 | 0 | 0 | 0 | 111.8 | G111 A112 Q118 L119 | G111-S115 WeakPolarHBondContact O-CB 3.29Å; G111-S115 PolarHBondContact O-N 2.95Å; A112-S115 PolarHBondContact O-N 3.23Å; S115-Q118 PolarHBondContact O-N 3.44Å; S115-L119 WeakPolarHBondContact O-CB 3.42Å; S115-L119 WeakPolarHBondContact O-CG 3.21Å; S115-L119 PolarHBondContact O-N 3.2Å |
| 116 | N | 93.5 | Very high | 95.3 | Very high | 111 Ų | 111 | 98.7 Ų | 98.7 | 59% | 0.594 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.6 | -39.7 | 178.1 | -165.9 | 38.9 | 0 | 0 | 0 | 111.2 | A112 M113 L114 L119 D120 | A112-N116 VanDerWaalsContact O-CB 3.27Å; A112-N116 WeakPolarHBondContact O-CB 3.35Å; A112-N116 PolarHBondContact O-N 2.64Å; M113-N116 PolarHBondContact O-N 3.38Å; L114-N116 VanDerWaalsContact C-N 3.32Å; L114-N116 PolarHBondContact O-N 3.49Å; N116-L119 PolarHBondContact O-N 3.08Å; N116-D120 WeakPolarHBondContact O-CB 3.2Å; N116-D120 PolarHBondContact O-N 3.39Å |
| 117 | V | 96.6 | Very high | 95.5 | Very high | 95 Ų | 95 | 99.1 Ų | 99.1 | 58% | 0.576 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.2 | -44.3 | 173.2 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | M113 L114 D120 N121 | M113-V117 VanDerWaalsContact O-CG2 3.29Å; M113-V117 WeakPolarHBondContact O-CG2 3.38Å; M113-V117 PolarHBondContact O-N 2.93Å; L114-V117 PolarHBondContact O-N 3.43Å; V117-D120 PolarHBondContact O-N 3.27Å; V117-N121 PolarHBondContact O-N 3.47Å |
| 118 | Q | 96.3 | Very high | 95.8 | Very high | 84 Ų | 84 | 100.4 Ų | 100.4 | 39% | 0.393 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 175.9 | -177.4 | 63.3 | 29.1 | 0 | 0 | 111.6 | L114 S115 D120 N121 D122 | L114-Q118 PolarHBondContact O-N 2.91Å; S115-Q118 PolarHBondContact O-N 3.44Å; Q118-D120 VanDerWaalsContact C-N 3.29Å; Q118-D120 PolarHBondContact O-N 2.94Å; Q118-N121 PolarHBondContact O-N 2.99Å; Q118-D122 PolarHBondContact NE2-OD1 2.96Å; Q118-D122 VanDerWaalsContact NE2-OD1 3.12Å; Q118-D122 PolarHBondContact O-N 2.88Å |
| 119 | L | 96.7 | Very high | 96 | Very high | 102 Ų | 102 | 98.9 Ų | 98.9 | 53% | 0.534 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -34.9 | 177.2 | -73.5 | 172 | 0 | 0 | 0 | 112.2 | S115 N116 K123 | S115-L119 WeakPolarHBondContact O-CB 3.42Å; S115-L119 WeakPolarHBondContact O-CG 3.21Å; S115-L119 PolarHBondContact O-N 3.2Å; N116-L119 PolarHBondContact O-N 3.08Å; L119-K123 WeakPolarHBondContact O-CB 3.3Å; L119-K123 PolarHBondContact O-N 3.3Å |
| 120 | D | 97 | Very high | 96.1 | Very high | 69 Ų | 69 | 97.7 Ų | 97.7 | 37% | 0.369 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69 | -41.6 | 175.7 | -165.2 | 62.3 | 0 | 0 | 0 | 111.5 | N116 V117 Q118 K123 Q124 | N116-D120 WeakPolarHBondContact O-CB 3.2Å; N116-D120 PolarHBondContact O-N 3.39Å; V117-D120 PolarHBondContact O-N 3.27Å; Q118-D120 VanDerWaalsContact C-N 3.29Å; Q118-D120 PolarHBondContact O-N 2.94Å; D120-K123 WeakPolarHBondContact O-CB 3.33Å; D120-K123 PolarHBondContact O-N 2.79Å; D120-Q124 VanDerWaalsContact O-CG 3.26Å; D120-Q124 WeakPolarHBondContact O-CG 3.25Å; D120-Q124 PolarHBondContact O-N 2.94Å; D120-Q124 PolarHBondContact OD2-NE2 3.34Å |
| 121 | N | 95.9 | Very high | 96.3 | Very high | 92 Ų | 92 | 94 Ų | 94 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.6 | -48 | 173.4 | -170 | 7.1 | 0 | 0 | 0 | 111.8 | V117 Q118 K123 Q124 L125 | V117-N121 PolarHBondContact O-N 3.47Å; Q118-N121 PolarHBondContact O-N 2.99Å; N121-K123 VanDerWaalsContact C-N 3.29Å; N121-K123 PolarHBondContact O-N 3.35Å; N121-Q124 WeakPolarHBondContact O-CB 3.29Å; N121-Q124 PolarHBondContact O-N 3.32Å; N121-Q124 VanDerWaalsContact O-N 3.15Å; N121-L125 PolarHBondContact O-N 3.12Å |
| 122 | D | 97 | Very high | 96.4 | Very high | 64 Ų | 64 | 96.6 Ų | 96.6 | 34% | 0.342 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.5 | -37.2 | 177 | -66.8 | -14.9 | 0 | 0 | 0 | 111.4 | Q118 L125 L126 | Q118-D122 PolarHBondContact NE2-OD1 2.96Å; Q118-D122 VanDerWaalsContact NE2-OD1 3.12Å; Q118-D122 PolarHBondContact O-N 2.88Å; D122-L125 PolarHBondContact O-N 3.5Å; D122-L126 WeakPolarHBondContact O-CB 3.21Å; D122-L126 VanDerWaalsContact O-CG 3.28Å; D122-L126 WeakPolarHBondContact O-CG 3.24Å; D122-L126 PolarHBondContact O-N 2.89Å |
| 123 | K | 96.7 | Very high | 96.5 | Very high | 138 Ų | 138 | 98.2 Ų | 98.2 | 60% | 0.6 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65 | -41.4 | 174.1 | 176.8 | -170.7 | 170.8 | -162.5 | 0 | 111.7 | L119 D120 N121 K127 | L119-K123 WeakPolarHBondContact O-CB 3.3Å; L119-K123 PolarHBondContact O-N 3.3Å; D120-K123 WeakPolarHBondContact O-CB 3.33Å; D120-K123 PolarHBondContact O-N 2.79Å; N121-K123 VanDerWaalsContact C-N 3.29Å; N121-K123 PolarHBondContact O-N 3.35Å; K123-K127 VanDerWaalsContact O-CB 3.29Å; K123-K127 WeakPolarHBondContact O-CB 3.44Å; K123-K127 PolarHBondContact O-N 3.44Å |
| 124 | Q | 97.7 | Very high | 96.6 | Very high | 88 Ų | 88 | 98 Ų | 98 | 41% | 0.411 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 174.9 | -71.2 | 175.2 | 30.7 | 0 | 0 | 110.6 | D120 N121 K127 Y128 | D120-Q124 VanDerWaalsContact O-CG 3.26Å; D120-Q124 WeakPolarHBondContact O-CG 3.25Å; D120-Q124 PolarHBondContact O-N 2.94Å; D120-Q124 PolarHBondContact OD2-NE2 3.34Å; N121-Q124 WeakPolarHBondContact O-CB 3.29Å; N121-Q124 PolarHBondContact O-N 3.32Å; N121-Q124 VanDerWaalsContact O-N 3.15Å; Q124-K127 WeakPolarHBondContact O-CB 3.46Å; Q124-K127 PolarHBondContact O-N 3.16Å; Q124-K127 VanDerWaalsContact O-N 3.16Å; Q124-Y128 WeakPolarHBondContact O-CD2 3.46Å; Q124-Y128 PolarHBondContact O-N 3.41Å |
| 125 | L | 97.8 | Very high | 96.9 | Very high | 110 Ų | 110 | 97 Ų | 97 | 58% | 0.576 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -58.9 | -49.3 | 176.2 | -177.7 | 65.7 | 0 | 0 | 0 | 111.8 | N121 D122 K127 Y128 E129 | N121-L125 PolarHBondContact O-N 3.12Å; D122-L125 PolarHBondContact O-N 3.5Å; L125-K127 VanDerWaalsContact C-N 3.27Å; L125-K127 PolarHBondContact O-N 2.93Å; L125-Y128 PolarHBondContact O-N 3.45Å; L125-E129 PolarHBondContact O-N 3.19Å |
| 126 | L | 97.4 | Very high | 97.1 | Very high | 100 Ų | 100 | 99.5 Ų | 99.5 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63 | -33.8 | 176.7 | -75.7 | 167.7 | 0 | 0 | 0 | 112.1 | D122 E129 V130 | D122-L126 WeakPolarHBondContact O-CB 3.21Å; D122-L126 VanDerWaalsContact O-CG 3.28Å; D122-L126 WeakPolarHBondContact O-CG 3.24Å; D122-L126 PolarHBondContact O-N 2.89Å; L126-E129 PolarHBondContact O-N 3.02Å; L126-V130 WeakPolarHBondContact O-CB 3.36Å; L126-V130 VanDerWaalsContact O-CG2 3.23Å; L126-V130 WeakPolarHBondContact O-CG2 3.22Å; L126-V130 PolarHBondContact O-N 3.38Å |
| 127 | K | 97.4 | Very high | 97.2 | Very high | 139 Ų | 139 | 99.6 Ų | 99.6 | 60% | 0.604 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.3 | -47.7 | 175.2 | -170.2 | -173.6 | 176.7 | -156 | 0 | 110.8 | K123 Q124 L125 E129 V130 D131 | K123-K127 VanDerWaalsContact O-CB 3.29Å; K123-K127 WeakPolarHBondContact O-CB 3.44Å; K123-K127 PolarHBondContact O-N 3.44Å; Q124-K127 WeakPolarHBondContact O-CB 3.46Å; Q124-K127 PolarHBondContact O-N 3.16Å; Q124-K127 VanDerWaalsContact O-N 3.16Å; L125-K127 VanDerWaalsContact C-N 3.27Å; L125-K127 PolarHBondContact O-N 2.93Å; K127-E129 VanDerWaalsContact C-N 3.35Å; K127-E129 PolarHBondContact O-N 3.25Å; K127-V130 PolarHBondContact O-N 3.47Å; K127-D131 VanDerWaalsContact O-CG 3.32Å; K127-D131 PolarHBondContact O-N 2.74Å |
| 128 | Y | 98 | Very high | 97.2 | Very high | 162 Ų | 162 | 100.9 Ų | 100.9 | 64% | 0.635 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.3 | -40 | 175.4 | -68.2 | -58.5 | 0 | 0 | 0 | 112.6 | Q124 L125 D131 L132 | Q124-Y128 WeakPolarHBondContact O-CD2 3.46Å; Q124-Y128 PolarHBondContact O-N 3.41Å; L125-Y128 PolarHBondContact O-N 3.45Å; Y128-D131 PolarHBondContact O-N 3.19Å; Y128-L132 WeakPolarHBondContact O-CB 3.47Å; Y128-L132 PolarHBondContact O-N 3.29Å |
| 129 | E | 97.8 | Very high | 97.2 | Very high | 105 Ų | 105 | 102.1 Ų | 102.1 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 176.6 | -176.7 | 169.9 | -165.5 | 0 | 0 | 111.9 | L125 L126 K127 D131 L132 L133 | L125-E129 PolarHBondContact O-N 3.19Å; L126-E129 PolarHBondContact O-N 3.02Å; K127-E129 VanDerWaalsContact C-N 3.35Å; K127-E129 PolarHBondContact O-N 3.25Å; E129-D131 VanDerWaalsContact C-N 3.32Å; E129-D131 PolarHBondContact O-N 3.47Å; E129-L132 PolarHBondContact O-N 3.26Å; E129-L133 HydrophobicContact CG-CD1 4.23Å; E129-L133 WeakPolarHBondContact O-CB 3.44Å; E129-L133 VanDerWaalsContact O-CG 3.3Å; E129-L133 WeakPolarHBondContact O-CG 3.38Å; E129-L133 PolarHBondContact O-N 3.05Å |
| 130 | V | 97.1 | Very high | 97.1 | Very high | 70 Ų | 70 | 102.9 Ų | 102.9 | 42% | 0.424 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 175.1 | 164.7 | 0 | 0 | 0 | 0 | 111.2 | L126 K127 L133 K134 | L126-V130 WeakPolarHBondContact O-CB 3.36Å; L126-V130 VanDerWaalsContact O-CG2 3.23Å; L126-V130 WeakPolarHBondContact O-CG2 3.22Å; L126-V130 PolarHBondContact O-N 3.38Å; K127-V130 PolarHBondContact O-N 3.47Å; V130-L133 PolarHBondContact O-N 3.01Å; V130-K134 HydrophobicContact CG1-CD 4.42Å; V130-K134 VanDerWaalsContact CG1-CE 3.47Å; V130-K134 WeakPolarHBondContact O-CG 3.49Å; V130-K134 PolarHBondContact O-N 2.93Å |
| 131 | D | 98 | Very high | 97 | Very high | 56 Ų | 56 | 103.3 Ų | 103.3 | 30% | 0.299 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.7 | -43.1 | 178.6 | -68.2 | -22.7 | 0 | 0 | 0 | 111.1 | K127 Y128 E129 L133 K134 D135 | K127-D131 VanDerWaalsContact O-CG 3.32Å; K127-D131 PolarHBondContact O-N 2.74Å; Y128-D131 PolarHBondContact O-N 3.19Å; E129-D131 VanDerWaalsContact C-N 3.32Å; E129-D131 PolarHBondContact O-N 3.47Å; D131-L133 VanDerWaalsContact C-N 3.3Å; D131-L133 PolarHBondContact O-N 3.32Å; D131-K134 WeakPolarHBondContact O-CB 3.47Å; D131-K134 PolarHBondContact O-N 2.82Å; D131-K134 VanDerWaalsContact O-N 3.13Å; D131-K134 IonicContact OD1-NZ 2.77Å; D131-K134 PolarHBondContact OD1-NZ 3.32Å; D131-D135 PolarHBondContact O-N 2.83Å |
| 132 | L | 97 | Very high | 97 | Very high | 92 Ų | 92 | 103.3 Ų | 103.3 | 48% | 0.482 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.3 | -37.2 | 172.4 | 178.9 | 63.4 | 0 | 0 | 0 | 113 | Y128 E129 K136 | Y128-L132 WeakPolarHBondContact O-CB 3.47Å; Y128-L132 PolarHBondContact O-N 3.29Å; E129-L132 PolarHBondContact O-N 3.26Å; L132-K136 WeakPolarHBondContact O-CG 3.45Å; L132-K136 PolarHBondContact O-N 2.66Å; L132-K136 VanDerWaalsContact O-N 3.12Å |
| 133 | L | 97.6 | Very high | 97 | Very high | 97 Ų | 97 | 103.1 Ų | 103.1 | 51% | 0.508 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.2 | -33.9 | 176.7 | -74.9 | 172.9 | 0 | 0 | 0 | 112.2 | E129 V130 D131 L137 | E129-L133 HydrophobicContact CG-CD1 4.23Å; E129-L133 WeakPolarHBondContact O-CB 3.44Å; E129-L133 VanDerWaalsContact O-CG 3.3Å; E129-L133 WeakPolarHBondContact O-CG 3.38Å; E129-L133 PolarHBondContact O-N 3.05Å; V130-L133 PolarHBondContact O-N 3.01Å; D131-L133 VanDerWaalsContact C-N 3.3Å; D131-L133 PolarHBondContact O-N 3.32Å; L133-L137 WeakPolarHBondContact O-CB 3.49Å; L133-L137 PolarHBondContact O-N 2.82Å |
| 134 | K | 97.6 | Very high | 96.9 | Very high | 110 Ų | 110 | 103.9 Ų | 103.9 | 48% | 0.478 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.5 | -44.9 | 173 | -71 | 169.3 | -166.7 | 155.3 | 0 | 111 | V130 D131 K136 L137 E138 | V130-K134 HydrophobicContact CG1-CD 4.42Å; V130-K134 VanDerWaalsContact CG1-CE 3.47Å; V130-K134 WeakPolarHBondContact O-CG 3.49Å; V130-K134 PolarHBondContact O-N 2.93Å; D131-K134 WeakPolarHBondContact O-CB 3.47Å; D131-K134 PolarHBondContact O-N 2.82Å; D131-K134 VanDerWaalsContact O-N 3.13Å; D131-K134 IonicContact OD1-NZ 2.77Å; D131-K134 PolarHBondContact OD1-NZ 3.32Å; K134-K136 VanDerWaalsContact C-N 3.33Å; K134-K136 PolarHBondContact O-N 2.96Å; K134-L137 WeakPolarHBondContact O-CB 3.28Å; K134-L137 PolarHBondContact O-N 3.01Å; K134-L137 VanDerWaalsContact O-N 3.09Å; K134-E138 PolarHBondContact O-N 2.77Å |
| 135 | D | 98.1 | Very high | 96.8 | Very high | 91 Ų | 91 | 102.2 Ų | 102.2 | 49% | 0.487 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.9 | -46.2 | 177.5 | -64.3 | -12.4 | 0 | 0 | 0 | 110.7 | D131 L137 E138 D139 | D131-D135 PolarHBondContact O-N 2.83Å; D135-L137 VanDerWaalsContact C-N 3.3Å; D135-L137 PolarHBondContact O-N 2.77Å; D135-E138 WeakPolarHBondContact O-CB 3.5Å; D135-E138 PolarHBondContact O-N 3.08Å; D135-D139 PolarHBondContact O-N 3.23Å |
| 136 | K | 97.9 | Very high | 96.5 | Very high | 114 Ų | 114 | 100.4 Ų | 100.4 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.6 | -35.5 | 175.4 | -73.1 | 174.2 | -178.1 | 174.8 | 0 | 113.4 | L132 K134 L140 | L132-K136 WeakPolarHBondContact O-CG 3.45Å; L132-K136 PolarHBondContact O-N 2.66Å; L132-K136 VanDerWaalsContact O-N 3.12Å; K134-K136 VanDerWaalsContact C-N 3.33Å; K134-K136 PolarHBondContact O-N 2.96Å; K136-L140 WeakPolarHBondContact O-CB 3.37Å; K136-L140 PolarHBondContact O-N 3.26Å |
| 137 | L | 95.3 | Very high | 96.3 | Very high | 114 Ų | 114 | 101.2 Ų | 101.2 | 60% | 0.597 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70 | -39.1 | 177.1 | -176.4 | 68.1 | 0 | 0 | 0 | 110.9 | L133 K134 D135 T141 | L133-L137 WeakPolarHBondContact O-CB 3.49Å; L133-L137 PolarHBondContact O-N 2.82Å; K134-L137 WeakPolarHBondContact O-CB 3.28Å; K134-L137 PolarHBondContact O-N 3.01Å; K134-L137 VanDerWaalsContact O-N 3.09Å; D135-L137 VanDerWaalsContact C-N 3.3Å; D135-L137 PolarHBondContact O-N 2.77Å; L137-T141 WeakPolarHBondContact O-CB 3.31Å; L137-T141 PolarHBondContact O-N 3.35Å; L137-T141 PolarHBondContact O-OG1 3.02Å |
| 138 | E | 96.4 | Very high | 96.2 | Very high | 121 Ų | 121 | 98 Ų | 98 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.8 | -50.7 | 174.1 | -170.4 | 166.2 | -175.7 | 0 | 0 | 110.5 | K134 D135 L140 T141 D142 | K134-E138 PolarHBondContact O-N 2.77Å; D135-E138 WeakPolarHBondContact O-CB 3.5Å; D135-E138 PolarHBondContact O-N 3.08Å; E138-L140 VanDerWaalsContact C-N 3.32Å; E138-L140 PolarHBondContact O-N 3.29Å; E138-T141 WeakPolarHBondContact O-CB 3.46Å; E138-T141 PolarHBondContact O-N 3.11Å; E138-D142 PolarHBondContact O-N 2.86Å |
| 139 | D | 95.9 | Very high | 96.1 | Very high | 111 Ų | 111 | 97.2 Ų | 97.2 | 59% | 0.594 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -55.5 | -44.3 | 175.8 | -73.4 | -21.1 | 0 | 0 | 0 | 112.5 | D135 T141 D142 A143 | D135-D139 PolarHBondContact O-N 3.23Å; D139-T141 VanDerWaalsContact C-N 3.34Å; D139-D142 PolarHBondContact O-N 3.06Å; D139-A143 VanDerWaalsContact O-CB 3.29Å; D139-A143 WeakPolarHBondContact O-CB 3.37Å; D139-A143 PolarHBondContact O-N 3.29Å |
| 140 | L | 95.5 | Very high | 95.8 | Very high | 118 Ų | 118 | 95.8 Ų | 95.8 | 62% | 0.618 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.6 | -37.6 | 179 | -166 | 154.5 | 0 | 0 | 0 | 111.2 | K136 E138 A143 Y144 | K136-L140 WeakPolarHBondContact O-CB 3.37Å; K136-L140 PolarHBondContact O-N 3.26Å; E138-L140 VanDerWaalsContact C-N 3.32Å; E138-L140 PolarHBondContact O-N 3.29Å; L140-A143 PolarHBondContact O-N 3.15Å; L140-Y144 WeakPolarHBondContact O-CB 3.47Å; L140-Y144 PolarHBondContact O-N 2.91Å |
| 141 | T | 95.5 | Very high | 95.6 | Very high | 77 Ų | 77 | 98.4 Ų | 98.4 | 47% | 0.472 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 176.4 | -58.7 | 0 | 0 | 0 | 0 | 110.9 | L137 E138 D139 Y144 A145 | L137-T141 WeakPolarHBondContact O-CB 3.31Å; L137-T141 PolarHBondContact O-N 3.35Å; L137-T141 PolarHBondContact O-OG1 3.02Å; E138-T141 WeakPolarHBondContact O-CB 3.46Å; E138-T141 PolarHBondContact O-N 3.11Å; D139-T141 VanDerWaalsContact C-N 3.34Å; T141-Y144 PolarHBondContact O-N 3.3Å; T141-A145 WeakPolarHBondContact O-CB 3.35Å; T141-A145 PolarHBondContact O-N 3.01Å |
| 142 | D | 95.7 | Very high | 95.5 | Very high | 92 Ų | 92 | 100.2 Ų | 100.2 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 177.7 | -78.5 | -8.8 | 0 | 0 | 0 | 112.3 | E138 D139 A145 S146 | E138-D142 PolarHBondContact O-N 2.86Å; D139-D142 PolarHBondContact O-N 3.06Å; D142-A145 PolarHBondContact O-N 3.41Å; D142-S146 WeakPolarHBondContact O-CB 3.39Å; D142-S146 PolarHBondContact O-N 3.36Å; D142-S146 PolarHBondContact O-OG 2.93Å |
| 143 | A | 96.3 | Very high | 95.3 | Very high | 60 Ų | 60 | 102 Ų | 102 | 50% | 0.496 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D139 L140 S146 L147 | D139-A143 VanDerWaalsContact O-CB 3.29Å; D139-A143 WeakPolarHBondContact O-CB 3.37Å; D139-A143 PolarHBondContact O-N 3.29Å; L140-A143 PolarHBondContact O-N 3.15Å; A143-S146 PolarHBondContact O-N 3.07Å; A143-L147 WeakPolarHBondContact O-CB 3.45Å; A143-L147 PolarHBondContact O-N 3.03Å |
| 144 | Y | 94.7 | Very high | 95.2 | Very high | 154 Ų | 154 | 102.7 Ų | 102.7 | 60% | 0.604 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.1 | -43.5 | 176.1 | -179.7 | -94.5 | 0 | 0 | 0 | 111.8 | L140 T141 S146 L147 N148 | L140-Y144 WeakPolarHBondContact O-CB 3.47Å; L140-Y144 PolarHBondContact O-N 2.91Å; T141-Y144 PolarHBondContact O-N 3.3Å; Y144-S146 VanDerWaalsContact C-N 3.34Å; Y144-S146 PolarHBondContact O-N 2.87Å; Y144-L147 PolarHBondContact O-N 2.82Å; Y144-N148 VanDerWaalsContact O-CB 3.3Å; Y144-N148 WeakPolarHBondContact O-CB 3.18Å; Y144-N148 PolarHBondContact O-N 3.08Å |
| 145 | A | 95.3 | Very high | 95 | Very high | 54 Ų | 54 | 103.8 Ų | 103.8 | 45% | 0.446 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T141 D142 N148 K149 | T141-A145 WeakPolarHBondContact O-CB 3.35Å; T141-A145 PolarHBondContact O-N 3.01Å; D142-A145 PolarHBondContact O-N 3.41Å; A145-N148 PolarHBondContact O-N 3.07Å; A145-K149 WeakPolarHBondContact O-CB 3.13Å; A145-K149 PolarHBondContact O-N 2.77Å |
| 146 | S | 92.6 | Very high | 94.9 | Very high | 72 Ų | 72 | 109.1 Ų | 109.1 | 50% | 0.503 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.2 | -44.6 | 176.7 | -61.4 | 0 | 0 | 0 | 0 | 112.1 | D142 A143 Y144 N148 K149 T150 | D142-S146 WeakPolarHBondContact O-CB 3.39Å; D142-S146 PolarHBondContact O-N 3.36Å; D142-S146 PolarHBondContact O-OG 2.93Å; A143-S146 PolarHBondContact O-N 3.07Å; Y144-S146 VanDerWaalsContact C-N 3.34Å; Y144-S146 PolarHBondContact O-N 2.87Å; S146-N148 PolarHBondContact O-N 3.16Å; S146-K149 PolarHBondContact O-N 2.76Å; S146-T150 WeakPolarHBondContact O-CG2 3.4Å; S146-T150 PolarHBondContact O-N 3.3Å; S146-T150 PolarHBondContact O-OG1 3.19Å |
| 147 | L | 93.6 | Very high | 94.7 | Very high | 117 Ų | 117 | 107.8 Ų | 107.8 | 61% | 0.613 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.4 | -43.1 | 175.7 | -176.7 | 62.7 | 0 | 0 | 0 | 111.3 | A143 Y144 K149 T150 F151 | A143-L147 WeakPolarHBondContact O-CB 3.45Å; A143-L147 PolarHBondContact O-N 3.03Å; Y144-L147 PolarHBondContact O-N 2.82Å; L147-K149 PolarHBondContact O-N 2.93Å; L147-T150 PolarHBondContact O-N 2.67Å; L147-T150 PolarHBondContact O-OG1 3.43Å; L147-F151 WeakPolarHBondContact O-CB 3.04Å; L147-F151 PolarHBondContact O-N 3.06Å |
| 148 | N | 94.5 | Very high | 94.5 | Very high | 70 Ų | 70 | 106.3 Ų | 106.3 | 37% | 0.374 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.1 | -38.2 | 177.6 | -174.5 | 63.6 | 0 | 0 | 0 | 112.2 | Y144 A145 S146 F151 L152 | Y144-N148 VanDerWaalsContact O-CB 3.3Å; Y144-N148 WeakPolarHBondContact O-CB 3.18Å; Y144-N148 PolarHBondContact O-N 3.08Å; A145-N148 PolarHBondContact O-N 3.07Å; S146-N148 PolarHBondContact O-N 3.16Å; N148-F151 PolarHBondContact O-N 3.15Å; N148-L152 WeakPolarHBondContact O-CG 3.33Å; N148-L152 PolarHBondContact O-N 2.93Å |
| 149 | K | 94.6 | Very high | 94.5 | Very high | 146 Ų | 146 | 103.3 Ų | 103.3 | 64% | 0.635 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.2 | -49.5 | 174 | -177.2 | -176 | 174.2 | -171.9 | 0 | 111.4 | A145 S146 L147 F151 L152 E153 | A145-K149 WeakPolarHBondContact O-CB 3.13Å; A145-K149 PolarHBondContact O-N 2.77Å; S146-K149 PolarHBondContact O-N 2.76Å; L147-K149 PolarHBondContact O-N 2.93Å; K149-F151 VanDerWaalsContact C-N 3.34Å; K149-F151 PolarHBondContact O-N 3.43Å; K149-L152 PolarHBondContact O-N 2.95Å; K149-E153 PolarHBondContact O-N 3.27Å |
| 150 | T | 93 | Very high | 94.5 | Very high | 75 Ų | 75 | 104 Ų | 104 | 46% | 0.46 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.5 | -34.6 | 179.3 | 60 | 0 | 0 | 0 | 0 | 112.5 | S146 L147 E153 N154 | S146-T150 WeakPolarHBondContact O-CG2 3.4Å; S146-T150 PolarHBondContact O-N 3.3Å; S146-T150 PolarHBondContact O-OG1 3.19Å; L147-T150 PolarHBondContact O-N 2.67Å; L147-T150 PolarHBondContact O-OG1 3.43Å; T150-E153 PolarHBondContact O-N 3.16Å; T150-N154 WeakPolarHBondContact O-CB 3.44Å; T150-N154 PolarHBondContact O-N 3.49Å |
| 151 | F | 93 | Very high | 94.6 | Very high | 126 Ų | 126 | 102.6 Ų | 102.6 | 55% | 0.553 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.2 | -44.1 | 173 | 175.5 | -98.3 | 0 | 0 | 0 | 112.2 | L147 N148 K149 N154 K155 | L147-F151 WeakPolarHBondContact O-CB 3.04Å; L147-F151 PolarHBondContact O-N 3.06Å; N148-F151 PolarHBondContact O-N 3.15Å; K149-F151 VanDerWaalsContact C-N 3.34Å; K149-F151 PolarHBondContact O-N 3.43Å; F151-N154 PolarHBondContact O-N 3.33Å; F151-K155 WeakPolarHBondContact O-CB 3.46Å; F151-K155 PolarHBondContact O-N 2.87Å |
| 152 | L | 95.5 | Very high | 94.6 | Very high | 94 Ų | 94 | 105 Ų | 105 | 49% | 0.492 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.5 | -38.2 | 177.4 | -72.9 | 170.1 | 0 | 0 | 0 | 112.2 | N148 K149 K155 R156 | N148-L152 WeakPolarHBondContact O-CG 3.33Å; N148-L152 PolarHBondContact O-N 2.93Å; K149-L152 PolarHBondContact O-N 2.95Å; L152-K155 PolarHBondContact O-N 3.4Å; L152-R156 PolarHBondContact O-N 2.8Å |
| 153 | E | 93.2 | Very high | 94.6 | Very high | 128 Ų | 128 | 106.2 Ų | 106.2 | 60% | 0.598 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.3 | -48.4 | 174.6 | -174.6 | 167.5 | -163.2 | 0 | 0 | 111.7 | K149 T150 K155 R156 E157 | K149-E153 PolarHBondContact O-N 3.27Å; T150-E153 PolarHBondContact O-N 3.16Å; E153-K155 VanDerWaalsContact C-N 3.29Å; E153-K155 PolarHBondContact O-N 3.04Å; E153-R156 WeakPolarHBondContact O-CA 3.38Å; E153-R156 WeakPolarHBondContact O-CB 3.43Å; E153-R156 PolarHBondContact O-N 3.47Å; E153-E157 PolarHBondContact O-N 2.9Å |
| 154 | N | 93.9 | Very high | 94.6 | Very high | 112 Ų | 112 | 107.5 Ų | 107.5 | 60% | 0.599 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.8 | -38.6 | 175.4 | -170.2 | 13.7 | 0 | 0 | 0 | 111.9 | T150 F151 R156 E157 L158 | T150-N154 WeakPolarHBondContact O-CB 3.44Å; T150-N154 PolarHBondContact O-N 3.49Å; F151-N154 PolarHBondContact O-N 3.33Å; N154-R156 VanDerWaalsContact C-N 3.3Å; N154-R156 PolarHBondContact O-N 3.23Å; N154-E157 PolarHBondContact O-N 2.79Å; N154-L158 WeakPolarHBondContact O-CB 3.44Å; N154-L158 PolarHBondContact O-N 3.3Å |
| 155 | K | 94.8 | Very high | 94.6 | Very high | 133 Ų | 133 | 105.1 Ų | 105.1 | 58% | 0.578 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.1 | -36.5 | 174.2 | -173.7 | 177.6 | 179.6 | -178.9 | 0 | 112.3 | F151 L152 E153 A159 | F151-K155 WeakPolarHBondContact O-CB 3.46Å; F151-K155 PolarHBondContact O-N 2.87Å; L152-K155 PolarHBondContact O-N 3.4Å; E153-K155 VanDerWaalsContact C-N 3.29Å; E153-K155 PolarHBondContact O-N 3.04Å; K155-A159 PolarHBondContact O-N 3.29Å |
| 156 | R | 95.4 | Very high | 94.7 | Very high | 204 Ų | 204 | 107.4 Ų | 107.4 | 77% | 0.77 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -70 | -43.8 | 175.7 | -175.1 | 179.8 | 180 | 158 | 0.1 | 111.4 | L152 E153 N154 A159 Y160 | L152-R156 PolarHBondContact O-N 2.8Å; E153-R156 WeakPolarHBondContact O-CA 3.38Å; E153-R156 WeakPolarHBondContact O-CB 3.43Å; E153-R156 PolarHBondContact O-N 3.47Å; N154-R156 VanDerWaalsContact C-N 3.3Å; N154-R156 PolarHBondContact O-N 3.23Å; R156-A159 WeakPolarHBondContact O-CB 3.34Å; R156-A159 PolarHBondContact O-N 2.98Å; R156-Y160 PolarHBondContact O-N 3.05Å |
| 157 | E | 94.6 | Very high | 94.8 | Very high | 86 Ų | 86 | 108.1 Ų | 108.1 | 40% | 0.402 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 176.8 | -175.9 | 54.8 | -146.9 | 0 | 0 | 111.4 | E153 N154 A159 Y160 Q161 | E153-E157 PolarHBondContact O-N 2.9Å; N154-E157 PolarHBondContact O-N 2.79Å; E157-A159 VanDerWaalsContact C-N 3.26Å; E157-A159 PolarHBondContact O-N 3.25Å; E157-Y160 WeakPolarHBondContact O-CB 3.21Å; E157-Y160 PolarHBondContact O-N 3.11Å; E157-Y160 VanDerWaalsContact O-N 3.08Å; E157-Q161 WeakPolarHBondContact O-CG 3.44Å; E157-Q161 PolarHBondContact O-N 2.87Å; E157-Q161 WeakPolarHBondContact OE1-CG 3.45Å; E157-Q161 PolarHBondContact OE1-NE2 3.32Å |
| 158 | L | 91.4 | Very high | 94.9 | Very high | 82 Ų | 82 | 106.6 Ų | 106.6 | 43% | 0.429 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.1 | -39.3 | 173.8 | -179.8 | 65.3 | 0 | 0 | 0 | 112.1 | N154 K162 | N154-L158 WeakPolarHBondContact O-CB 3.44Å; N154-L158 PolarHBondContact O-N 3.3Å; L158-K162 HydrophobicContact CG-CD 4.47Å; L158-K162 WeakPolarHBondContact O-CB 3.32Å; L158-K162 VanDerWaalsContact O-CG 3.25Å; L158-K162 WeakPolarHBondContact O-CG 3.29Å; L158-K162 PolarHBondContact O-N 3.5Å |
| 159 | A | 95.9 | Very high | 95 | Very high | 59 Ų | 59 | 106.2 Ų | 106.2 | 49% | 0.488 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.7 | -39.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K155 R156 E157 K162 M163 | K155-A159 PolarHBondContact O-N 3.29Å; R156-A159 WeakPolarHBondContact O-CB 3.34Å; R156-A159 PolarHBondContact O-N 2.98Å; E157-A159 VanDerWaalsContact C-N 3.26Å; E157-A159 PolarHBondContact O-N 3.25Å; A159-K162 PolarHBondContact O-N 2.82Å; A159-M163 PolarHBondContact O-N 3.24Å; A159-M163 VanDerWaalsContact O-N 3.08Å |
| 160 | Y | 96 | Very high | 95.1 | Very high | 125 Ų | 125 | 105.7 Ų | 105.7 | 49% | 0.49 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.8 | -48.7 | 175.1 | 176.8 | -105.1 | 0 | 0 | 0 | 111.8 | R156 E157 K162 M163 Q164 | R156-Y160 PolarHBondContact O-N 3.05Å; E157-Y160 WeakPolarHBondContact O-CB 3.21Å; E157-Y160 PolarHBondContact O-N 3.11Å; E157-Y160 VanDerWaalsContact O-N 3.08Å; Y160-K162 VanDerWaalsContact C-N 3.33Å; Y160-K162 PolarHBondContact O-N 3.41Å; Y160-M163 HydrophobicContact CD2-CE 4.36Å; Y160-M163 HydrophobicContact CE2-CE 4.49Å; Y160-M163 WeakPolarHBondContact O-CB 3.43Å; Y160-M163 PolarHBondContact O-N 2.83Å; Y160-M163 VanDerWaalsContact O-N 3.1Å; Y160-Q164 PolarHBondContact O-N 2.98Å |
| 161 | Q | 96.2 | Very high | 95.3 | Very high | 88 Ų | 88 | 108.5 Ų | 108.5 | 41% | 0.411 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 177.2 | -69.9 | 176.7 | 2.1 | 0 | 0 | 112 | E157 M163 Q164 I165 | E157-Q161 WeakPolarHBondContact O-CG 3.44Å; E157-Q161 PolarHBondContact O-N 2.87Å; E157-Q161 WeakPolarHBondContact OE1-CG 3.45Å; E157-Q161 PolarHBondContact OE1-NE2 3.32Å; Q161-M163 VanDerWaalsContact C-N 3.31Å; Q161-M163 PolarHBondContact O-N 2.81Å; Q161-Q164 PolarHBondContact O-N 2.99Å; Q161-I165 WeakPolarHBondContact O-CG1 3.5Å; Q161-I165 PolarHBondContact O-N 2.81Å |
| 162 | K | 96.4 | Very high | 95.4 | Very high | 128 Ų | 128 | 107.6 Ų | 107.6 | 56% | 0.557 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.5 | -41.7 | 173.8 | -77.6 | 177.9 | 177.9 | -171.3 | 0 | 112.3 | L158 A159 Y160 I165 V166 | L158-K162 HydrophobicContact CG-CD 4.47Å; L158-K162 WeakPolarHBondContact O-CB 3.32Å; L158-K162 VanDerWaalsContact O-CG 3.25Å; L158-K162 WeakPolarHBondContact O-CG 3.29Å; L158-K162 PolarHBondContact O-N 3.5Å; A159-K162 PolarHBondContact O-N 2.82Å; Y160-K162 VanDerWaalsContact C-N 3.33Å; Y160-K162 PolarHBondContact O-N 3.41Å; K162-I165 PolarHBondContact O-N 3.48Å; K162-V166 WeakPolarHBondContact O-CG2 3.29Å; K162-V166 PolarHBondContact O-N 3.32Å; K162-V166 VanDerWaalsContact O-N 3.11Å |
| 163 | M | 95.8 | Very high | 95.3 | Very high | 118 Ų | 118 | 106.2 Ų | 106.2 | 58% | 0.581 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64 | -42.8 | 176.7 | -167.7 | -179.6 | 75.8 | 0 | 0 | 111.4 | A159 Y160 Q161 V166 E167 | A159-M163 PolarHBondContact O-N 3.24Å; A159-M163 VanDerWaalsContact O-N 3.08Å; Y160-M163 HydrophobicContact CD2-CE 4.36Å; Y160-M163 HydrophobicContact CE2-CE 4.49Å; Y160-M163 WeakPolarHBondContact O-CB 3.43Å; Y160-M163 PolarHBondContact O-N 2.83Å; Y160-M163 VanDerWaalsContact O-N 3.1Å; Q161-M163 VanDerWaalsContact C-N 3.31Å; Q161-M163 PolarHBondContact O-N 2.81Å; M163-V166 PolarHBondContact O-N 2.85Å; M163-E167 WeakPolarHBondContact O-CB 3.31Å; M163-E167 PolarHBondContact O-N 3.16Å |
| 164 | Q | 97.3 | Very high | 95.4 | Very high | 86 Ų | 86 | 107 Ų | 107 | 40% | 0.402 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 176.9 | -171.5 | 179.4 | 45.5 | 0 | 0 | 112.2 | Y160 Q161 V166 E167 L168 | Y160-Q164 PolarHBondContact O-N 2.98Å; Q161-Q164 PolarHBondContact O-N 2.99Å; Q164-V166 VanDerWaalsContact C-N 3.34Å; Q164-V166 PolarHBondContact O-N 3Å; Q164-E167 PolarHBondContact O-N 3.3Å; Q164-L168 HydrophobicContact CG-CD1 4.09Å; Q164-L168 HydrophobicContact CG-CG 4.41Å; Q164-L168 WeakPolarHBondContact O-CB 3.41Å; Q164-L168 WeakPolarHBondContact O-CG 3.32Å; Q164-L168 PolarHBondContact O-N 3.05Å |
| 165 | I | 93.8 | Very high | 95.5 | Very high | 105 Ų | 105 | 104 Ų | 104 | 54% | 0.538 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.3 | -46.1 | 174.9 | -71 | 166.4 | 0 | 0 | 0 | 110.4 | Q161 K162 E167 L168 T169 | Q161-I165 WeakPolarHBondContact O-CG1 3.5Å; Q161-I165 PolarHBondContact O-N 2.81Å; K162-I165 PolarHBondContact O-N 3.48Å; I165-E167 PolarHBondContact O-N 3.17Å; I165-L168 PolarHBondContact O-N 3.37Å; I165-T169 WeakPolarHBondContact O-CB 3.44Å; I165-T169 PolarHBondContact O-N 3.49Å; I165-T169 PolarHBondContact O-OG1 3.07Å |
| 166 | V | 96.4 | Very high | 95.5 | Very high | 101 Ų | 101 | 105.1 Ų | 105.1 | 61% | 0.612 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.8 | -44.3 | 177.9 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | K162 M163 Q164 T169 H170 | K162-V166 WeakPolarHBondContact O-CG2 3.29Å; K162-V166 PolarHBondContact O-N 3.32Å; K162-V166 VanDerWaalsContact O-N 3.11Å; M163-V166 PolarHBondContact O-N 2.85Å; Q164-V166 VanDerWaalsContact C-N 3.34Å; Q164-V166 PolarHBondContact O-N 3Å; V166-T169 PolarHBondContact O-N 2.82Å; V166-H170 PolarHBondContact O-N 3.06Å |
| 167 | E | 95.5 | Very high | 95.5 | Very high | 87 Ų | 87 | 101.1 Ų | 101.1 | 41% | 0.407 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 178.7 | -165.7 | -165.3 | 163.1 | 0 | 0 | 112.3 | M163 Q164 I165 H170 R171 | M163-E167 WeakPolarHBondContact O-CB 3.31Å; M163-E167 PolarHBondContact O-N 3.16Å; Q164-E167 PolarHBondContact O-N 3.3Å; I165-E167 PolarHBondContact O-N 3.17Å; E167-H170 PolarHBondContact O-N 2.88Å; E167-R171 VanDerWaalsContact CG-NH1 3.33Å; E167-R171 PolarHBondContact O-N 3.09Å; E167-R171 VanDerWaalsContact O-N 3.08Å; E167-R171 IonicContact OE1-CZ 3.33Å; E167-R171 IonicContact OE1-NH1 3.08Å; E167-R171 PolarHBondContact OE1-NH1 3.27Å; E167-R171 IonicContact OE1-NH2 3.6Å; E167-R171 PolarHBondContact OE1-NH2 2.87Å; E167-R171 IonicContact OE2-NH1 2.74Å |
| 168 | L | 96.5 | Very high | 95.6 | Very high | 86 Ų | 86 | 102 Ų | 102 | 45% | 0.45 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.4 | -38.6 | 175.9 | -72 | 174.9 | 0 | 0 | 0 | 111.8 | Q164 I165 R171 L172 | Q164-L168 HydrophobicContact CG-CD1 4.09Å; Q164-L168 HydrophobicContact CG-CG 4.41Å; Q164-L168 WeakPolarHBondContact O-CB 3.41Å; Q164-L168 WeakPolarHBondContact O-CG 3.32Å; Q164-L168 PolarHBondContact O-N 3.05Å; I165-L168 PolarHBondContact O-N 3.37Å; L168-R171 PolarHBondContact O-N 3.03Å; L168-L172 WeakPolarHBondContact O-CG 3.48Å; L168-L172 PolarHBondContact O-N 3.33Å |
| 169 | T | 96.2 | Very high | 95.7 | Very high | 62 Ų | 62 | 101.1 Ų | 101.1 | 38% | 0.38 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 175.6 | -55.9 | 0 | 0 | 0 | 0 | 110.3 | I165 V166 R171 L172 D173 | I165-T169 WeakPolarHBondContact O-CB 3.44Å; I165-T169 PolarHBondContact O-N 3.49Å; I165-T169 PolarHBondContact O-OG1 3.07Å; V166-T169 PolarHBondContact O-N 2.82Å; T169-R171 VanDerWaalsContact C-N 3.31Å; T169-R171 PolarHBondContact O-N 3.05Å; T169-L172 PolarHBondContact O-N 3.03Å; T169-L172 VanDerWaalsContact O-N 3.12Å; T169-D173 VanDerWaalsContact O-CG 3.31Å; T169-D173 PolarHBondContact O-N 2.86Å |
| 170 | H | 96.5 | Very high | 95.6 | Very high | 135 Ų | 135 | 102.5 Ų | 102.5 | 63% | 0.625 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.8 | -37.7 | 176.1 | -176.8 | -87.2 | 0 | 0 | 0 | 112.6 | V166 E167 Y174 | V166-H170 PolarHBondContact O-N 3.06Å; E167-H170 PolarHBondContact O-N 2.88Å; H170-Y174 WeakPolarHBondContact O-CB 3.34Å; H170-Y174 PolarHBondContact O-N 3.38Å |
| 171 | R | 97.7 | Very high | 95.4 | Very high | 134 Ų | 134 | 98.6 Ų | 98.6 | 51% | 0.506 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.5 | -41 | 174 | -74 | -169.4 | -180 | 97.2 | 5.2 | 112.6 | E167 L168 T169 Y174 A175 | E167-R171 VanDerWaalsContact CG-NH1 3.33Å; E167-R171 PolarHBondContact O-N 3.09Å; E167-R171 VanDerWaalsContact O-N 3.08Å; E167-R171 IonicContact OE1-CZ 3.33Å; E167-R171 IonicContact OE1-NH1 3.08Å; E167-R171 PolarHBondContact OE1-NH1 3.27Å; E167-R171 IonicContact OE1-NH2 3.6Å; E167-R171 PolarHBondContact OE1-NH2 2.87Å; E167-R171 IonicContact OE2-NH1 2.74Å; L168-R171 PolarHBondContact O-N 3.03Å; T169-R171 VanDerWaalsContact C-N 3.31Å; T169-R171 PolarHBondContact O-N 3.05Å; R171-Y174 PolarHBondContact O-N 3.35Å; R171-A175 WeakPolarHBondContact O-CB 3.47Å; R171-A175 PolarHBondContact O-N 3.06Å |
| 172 | L | 93.5 | Very high | 95.1 | Very high | 107 Ų | 107 | 101 Ų | 101 | 56% | 0.56 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.7 | -43.5 | 176.2 | -72.6 | 175.6 | 0 | 0 | 0 | 111.2 | L168 T169 A175 R176 | L168-L172 WeakPolarHBondContact O-CG 3.48Å; L168-L172 PolarHBondContact O-N 3.33Å; T169-L172 PolarHBondContact O-N 3.03Å; T169-L172 VanDerWaalsContact O-N 3.12Å; L172-A175 PolarHBondContact O-N 2.86Å; L172-R176 WeakPolarHBondContact O-CB 3.31Å; L172-R176 VanDerWaalsContact O-CG 3.32Å; L172-R176 WeakPolarHBondContact O-CG 3.43Å; L172-R176 PolarHBondContact O-N 3.44Å |
| 173 | D | 95.1 | Very high | 94.8 | Very high | 64 Ų | 64 | 98.2 Ų | 98.2 | 34% | 0.342 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 177.4 | -67 | -24 | 0 | 0 | 0 | 111.5 | T169 A175 R176 H177 | T169-D173 VanDerWaalsContact O-CG 3.31Å; T169-D173 PolarHBondContact O-N 2.86Å; D173-A175 PolarHBondContact O-N 3.35Å; D173-R176 PolarHBondContact O-N 2.89Å; D173-H177 WeakPolarHBondContact O-CB 3.48Å; D173-H177 PolarHBondContact O-CD2 2.85Å; D173-H177 PolarHBondContact O-N 3.25Å |
| 174 | Y | 95.2 | Very high | 94.5 | Very high | 145 Ų | 145 | 98.6 Ų | 98.6 | 57% | 0.569 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.6 | -41.9 | 174.4 | -179.9 | -114.6 | 0 | 0 | 0 | 112.6 | H170 R171 Q178 | H170-Y174 WeakPolarHBondContact O-CB 3.34Å; H170-Y174 PolarHBondContact O-N 3.38Å; R171-Y174 PolarHBondContact O-N 3.35Å; Y174-Q178 WeakPolarHBondContact O-CG 3.16Å; Y174-Q178 PolarHBondContact O-N 3.4Å |
| 175 | A | 96 | Very high | 94.1 | Very high | 48 Ų | 48 | 99 Ų | 99 | 40% | 0.397 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.9 | -41.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R171 L172 D173 Q178 V179 | R171-A175 WeakPolarHBondContact O-CB 3.47Å; R171-A175 PolarHBondContact O-N 3.06Å; L172-A175 PolarHBondContact O-N 2.86Å; D173-A175 PolarHBondContact O-N 3.35Å; A175-Q178 PolarHBondContact O-N 3Å; A175-V179 WeakPolarHBondContact O-CG2 3.44Å; A175-V179 PolarHBondContact O-N 3.43Å |
| 176 | R | 95.1 | Very high | 93.8 | Very high | 158 Ų | 158 | 95.3 Ų | 95.3 | 60% | 0.596 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -58.9 | -48.3 | 173.7 | -77.9 | 173.9 | 169.6 | -179 | -5.7 | 111.3 | L172 D173 Q178 V179 E180 | L172-R176 WeakPolarHBondContact O-CB 3.31Å; L172-R176 VanDerWaalsContact O-CG 3.32Å; L172-R176 WeakPolarHBondContact O-CG 3.43Å; L172-R176 PolarHBondContact O-N 3.44Å; D173-R176 PolarHBondContact O-N 2.89Å; R176-Q178 VanDerWaalsContact C-N 3.31Å; R176-Q178 PolarHBondContact O-N 3.32Å; R176-V179 PolarHBondContact O-N 3.12Å; R176-V179 VanDerWaalsContact O-N 3.09Å; R176-E180 WeakPolarHBondContact O-CG 3.45Å; R176-E180 PolarHBondContact O-N 3.39Å |
| 177 | H | 94 | Very high | 93.4 | Very high | 119 Ų | 119 | 95.8 Ų | 95.8 | 55% | 0.551 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.1 | -35.1 | 176.7 | -78.6 | -40.5 | 0 | 0 | 0 | 113.5 | D173 E180 A181 | D173-H177 WeakPolarHBondContact O-CB 3.48Å; D173-H177 PolarHBondContact O-CD2 2.85Å; D173-H177 PolarHBondContact O-N 3.25Å; H177-E180 IonicContact CE1-OE2 3.4Å; H177-E180 IonicContact CG-OE2 2.63Å; H177-E180 IonicContact ND1-OE2 3.4Å; H177-E180 PolarHBondContact ND1-OE2 2.91Å; H177-A181 VanDerWaalsContact O-CB 3.24Å; H177-A181 WeakPolarHBondContact O-CB 3.29Å; H177-A181 PolarHBondContact O-N 3Å |
| 178 | Q | 96.1 | Very high | 93 | Very high | 105 Ų | 105 | 98.8 Ų | 98.8 | 49% | 0.491 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 172.7 | -77.6 | -179.5 | 65 | 0 | 0 | 112.5 | Y174 A175 R176 R182 | Y174-Q178 WeakPolarHBondContact O-CG 3.16Å; Y174-Q178 PolarHBondContact O-N 3.4Å; A175-Q178 PolarHBondContact O-N 3Å; R176-Q178 VanDerWaalsContact C-N 3.31Å; R176-Q178 PolarHBondContact O-N 3.32Å; Q178-R182 WeakPolarHBondContact O-CB 3.38Å; Q178-R182 PolarHBondContact O-N 2.94Å |
| 179 | V | 94 | Very high | 92.6 | Very high | 63 Ų | 63 | 100.3 Ų | 100.3 | 38% | 0.382 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.1 | -46.6 | 175.5 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | A175 R176 A181 R182 D183 | A175-V179 WeakPolarHBondContact O-CG2 3.44Å; A175-V179 PolarHBondContact O-N 3.43Å; R176-V179 PolarHBondContact O-N 3.12Å; R176-V179 VanDerWaalsContact O-N 3.09Å; V179-A181 VanDerWaalsContact C-N 3.34Å; V179-A181 PolarHBondContact O-N 3.39Å; V179-R182 WeakPolarHBondContact O-CB 3.31Å; V179-R182 PolarHBondContact O-N 2.87Å; V179-R182 VanDerWaalsContact O-N 3.16Å; V179-D183 WeakPolarHBondContact O-CB 3.45Å; V179-D183 PolarHBondContact O-N 3.29Å |
| 180 | E | 94.1 | Very high | 92.1 | Very high | 88 Ų | 88 | 98.7 Ų | 98.7 | 41% | 0.411 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.5 | -43.9 | 175.2 | -71.8 | 168 | -177.8 | 0 | 0 | 111.8 | R176 H177 D183 Q184 | R176-E180 WeakPolarHBondContact O-CG 3.45Å; R176-E180 PolarHBondContact O-N 3.39Å; H177-E180 IonicContact CE1-OE2 3.4Å; H177-E180 IonicContact CG-OE2 2.63Å; H177-E180 IonicContact ND1-OE2 3.4Å; H177-E180 PolarHBondContact ND1-OE2 2.91Å; E180-D183 PolarHBondContact O-N 3.49Å; E180-Q184 VanDerWaalsContact O-CB 3.31Å; E180-Q184 WeakPolarHBondContact O-CB 3.22Å; E180-Q184 WeakPolarHBondContact O-CG 3.45Å; E180-Q184 PolarHBondContact O-N 2.9Å |
| 181 | A | 91.8 | Very high | 91.6 | Very high | 44 Ų | 44 | 94.6 Ų | 94.6 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | H177 V179 L185 | H177-A181 VanDerWaalsContact O-CB 3.24Å; H177-A181 WeakPolarHBondContact O-CB 3.29Å; H177-A181 PolarHBondContact O-N 3Å; V179-A181 VanDerWaalsContact C-N 3.34Å; V179-A181 PolarHBondContact O-N 3.39Å; A181-L185 VanDerWaalsContact O-CG 3.29Å; A181-L185 WeakPolarHBondContact O-CG 3.46Å; A181-L185 PolarHBondContact O-N 3.48Å |
| 182 | R | 89.9 | Confident | 90.9 | Very high | 138 Ų | 138 | 91 Ų | 91 | 52% | 0.521 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 174.3 | -177.7 | -172.3 | 65.8 | -168.1 | -1.9 | 111.2 | Q178 V179 L185 I186 | Q178-R182 WeakPolarHBondContact O-CB 3.38Å; Q178-R182 PolarHBondContact O-N 2.94Å; V179-R182 WeakPolarHBondContact O-CB 3.31Å; V179-R182 PolarHBondContact O-N 2.87Å; V179-R182 VanDerWaalsContact O-N 3.16Å; R182-L185 PolarHBondContact O-N 3.01Å; R182-I186 HydrophobicContact CG-CD1 4.02Å; R182-I186 VanDerWaalsContact O-CG1 3.29Å; R182-I186 WeakPolarHBondContact O-CG1 3.33Å; R182-I186 PolarHBondContact O-N 2.94Å |
| 183 | D | 89.4 | Confident | 90.4 | Very high | 69 Ų | 69 | 89.3 Ų | 89.3 | 37% | 0.369 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -69.1 | -35.9 | -177.6 | -63.2 | -8.3 | 0 | 0 | 0 | 111 | V179 E180 I186 V187 | V179-D183 WeakPolarHBondContact O-CB 3.45Å; V179-D183 PolarHBondContact O-N 3.29Å; E180-D183 PolarHBondContact O-N 3.49Å; D183-I186 PolarHBondContact O-N 2.97Å; D183-V187 VanDerWaalsContact O-CG2 3.31Å; D183-V187 WeakPolarHBondContact O-CG2 3.32Å; D183-V187 PolarHBondContact O-N 3.31Å |
| 184 | Q | 90.1 | Very high | 89.4 | Confident | 127 Ų | 127 | 88.1 Ų | 88.1 | 59% | 0.593 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -60.3 | -45.5 | 169.5 | -75.7 | 168.2 | 24.3 | 0 | 0 | 111.7 | E180 I186 V187 E188 | E180-Q184 VanDerWaalsContact O-CB 3.31Å; E180-Q184 WeakPolarHBondContact O-CB 3.22Å; E180-Q184 WeakPolarHBondContact O-CG 3.45Å; E180-Q184 PolarHBondContact O-N 2.9Å; Q184-I186 VanDerWaalsContact C-N 3.35Å; Q184-I186 PolarHBondContact O-N 3.34Å; Q184-V187 PolarHBondContact O-N 3.11Å; Q184-E188 VanDerWaalsContact O-CB 3.32Å; Q184-E188 WeakPolarHBondContact O-CB 3.35Å; Q184-E188 PolarHBondContact O-N 3.15Å |
| 185 | L | 89.9 | Confident | 88.1 | Confident | 94 Ų | 94 | 83.1 Ų | 83.1 | 49% | 0.492 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 176.5 | -72.1 | 172 | 0 | 0 | 0 | 111.7 | A181 R182 V187 E188 H189 | A181-L185 VanDerWaalsContact O-CG 3.29Å; A181-L185 WeakPolarHBondContact O-CG 3.46Å; A181-L185 PolarHBondContact O-N 3.48Å; R182-L185 PolarHBondContact O-N 3.01Å; L185-V187 VanDerWaalsContact C-N 3.33Å; L185-V187 PolarHBondContact O-N 2.88Å; L185-E188 PolarHBondContact O-N 2.66Å; L185-H189 WeakPolarHBondContact O-CB 3.32Å; L185-H189 PolarHBondContact O-N 3.33Å; L185-H189 PolarHBondContact O-ND1 3.34Å |
| 186 | I | 87.7 | Confident | 86.2 | Confident | 27 Ų | 27 | 82.2 Ų | 82.2 | 14% | 0.138 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -58.4 | -47.3 | 174.3 | -71.4 | 166.8 | 0 | 0 | 0 | 110 | R182 D183 Q184 G190 L191 L193 L269 | R182-I186 HydrophobicContact CG-CD1 4.02Å; R182-I186 VanDerWaalsContact O-CG1 3.29Å; R182-I186 WeakPolarHBondContact O-CG1 3.33Å; R182-I186 PolarHBondContact O-N 2.94Å; D183-I186 PolarHBondContact O-N 2.97Å; Q184-I186 VanDerWaalsContact C-N 3.35Å; Q184-I186 PolarHBondContact O-N 3.34Å; I186-G190 PolarHBondContact O-N 2.85Å; I186-L191 HydrophobicContact CG2-CB 4.18Å; I186-L191 WeakPolarHBondContact CG2-O 3.44Å; I186-L191 WeakPolarHBondContact O-CA 3.5Å; I186-L191 PolarHBondContact O-N 2.88Å; I186-L193 HydrophobicContact CD1-CD1 4.21Å; I186-L269 HydrophobicContact CB-CD1 4.48Å; I186-L269 HydrophobicContact CD1-CD1 4.29Å; I186-L269 HydrophobicContact CG1-CD1 3.93Å; I186-L269 HydrophobicContact CG2-CD1 3.87Å |
| 187 | V | 86.9 | Confident | 84 | Confident | 111 Ų | 111 | 80.1 Ų | 80.1 | 67% | 0.673 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -67 | -46.1 | 178.8 | 172.5 | 0 | 0 | 0 | 0 | 112.3 | D183 Q184 L185 H189 G190 | D183-V187 VanDerWaalsContact O-CG2 3.31Å; D183-V187 WeakPolarHBondContact O-CG2 3.32Å; D183-V187 PolarHBondContact O-N 3.31Å; Q184-V187 PolarHBondContact O-N 3.11Å; L185-V187 VanDerWaalsContact C-N 3.33Å; L185-V187 PolarHBondContact O-N 2.88Å; V187-H189 VanDerWaalsContact C-N 3.31Å; V187-H189 PolarHBondContact O-N 3.12Å; V187-G190 PolarHBondContact O-N 3.32Å |
| 188 | E | 88.2 | Confident | 81.7 | Confident | 150 Ų | 150 | 80.9 Ų | 80.9 | 70% | 0.701 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.1 | -40.1 | -178.5 | -175.6 | -178.5 | -177.2 | 0 | 0 | 111.8 | Q184 L185 G190 | Q184-E188 VanDerWaalsContact O-CB 3.32Å; Q184-E188 WeakPolarHBondContact O-CB 3.35Å; Q184-E188 PolarHBondContact O-N 3.15Å; L185-E188 PolarHBondContact O-N 2.66Å; E188-G190 PolarHBondContact O-N 3.42Å |
| 189 | H | 87.1 | Confident | 79.2 | Confident | 118 Ų | 118 | 79.4 Ų | 79.4 | 55% | 0.546 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 5.3 | 178.4 | -65 | 72.6 | 0 | 0 | 0 | 112.6 | L185 V187 L191 | L185-H189 WeakPolarHBondContact O-CB 3.32Å; L185-H189 PolarHBondContact O-N 3.33Å; L185-H189 PolarHBondContact O-ND1 3.34Å; V187-H189 VanDerWaalsContact C-N 3.31Å; V187-H189 PolarHBondContact O-N 3.12Å; H189-L191 HydrophobicContact CB-CD1 4.05Å; H189-L191 HydrophobicContact CB-CG 3.94Å; H189-L191 PolarHBondContact O-N 3.48Å |
| 190 | G | 85.3 | Confident | 76.7 | Confident | 29 Ų | 29 | 82.8 Ų | 82.8 | 30% | 0.299 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 29.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | I186 V187 E188 K272 | I186-G190 PolarHBondContact O-N 2.85Å; V187-G190 PolarHBondContact O-N 3.32Å; E188-G190 PolarHBondContact O-N 3.42Å; G190-K272 WeakPolarHBondContact O-CB 3.47Å; G190-K272 PolarHBondContact O-N 2.88Å |
| 191 | L | 86.4 | Confident | 74.1 | Confident | 48 Ų | 48 | 84.7 Ų | 84.7 | 25% | 0.251 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 150.8 | 177.6 | -54.1 | 176.6 | 0 | 0 | 0 | 109.8 | I186 H189 L269 I270 | I186-L191 HydrophobicContact CG2-CB 4.18Å; I186-L191 WeakPolarHBondContact CG2-O 3.44Å; I186-L191 WeakPolarHBondContact O-CA 3.5Å; I186-L191 PolarHBondContact O-N 2.88Å; H189-L191 HydrophobicContact CB-CD1 4.05Å; H189-L191 HydrophobicContact CB-CG 3.94Å; H189-L191 PolarHBondContact O-N 3.48Å; L191-L269 HydrophobicContact CB-CD1 3.51Å; L191-L269 HydrophobicContact CB-CG 3.96Å; L191-L269 HydrophobicContact CD1-CD1 4.18Å; L191-L269 HydrophobicContact CD1-CD2 3.66Å; L191-L269 HydrophobicContact CD1-CG 3.89Å; L191-L269 HydrophobicContact CG-CD1 4.45Å; L191-L269 HydrophobicContact CG-CG 4.45Å; L191-I270 CarbonylContact C-O 3.6Å; L191-I270 WeakPolarHBondContact CA-O 3.3Å |
| 192 | V | 83.8 | Confident | 71.5 | Confident | 59 Ų | 59 | 89.6 Ų | 89.6 | 36% | 0.358 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 135.8 | -179.9 | -178.1 | 0 | 0 | 0 | 0 | 107.7 | I270 K272 | V192-I270 PolarHBondContact N-O 2.77Å; V192-I270 PolarHBondContact O-N 3.04Å; V192-K272 HydrophobicContact CG2-CB 4.04Å; V192-K272 HydrophobicContact CG2-CG 4.33Å |
| 193 | L | 81.9 | Confident | 69 | Low | 71 Ų | 71 | 87.5 Ų | 87.5 | 37% | 0.372 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 118.5 | 171.1 | -118.2 | 57.5 | 0 | 0 | 0 | 108.7 | I186 M267 L269 | I186-L193 HydrophobicContact CD1-CD1 4.21Å; L193-M267 HydrophobicContact CD2-CE 3.3Å; L193-M267 HydrophobicContact CD2-SD 3.8Å; L193-M267 HydrophobicContact CG-CB 4.22Å; L193-M267 HydrophobicContact CG-CE 4.16Å; L193-M267 HydrophobicContact CG-SD 4.33Å; L193-L269 HydrophobicContact CD1-CB 3.92Å; L193-L269 HydrophobicContact CD1-CD1 3.38Å; L193-L269 HydrophobicContact CD1-CG 4.23Å |
| 194 | I | 73.8 | Confident | 66.4 | Low | 40 Ų | 40 | 89.6 Ų | 89.6 | 21% | 0.205 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 126.4 | 173.6 | -53.8 | 177.7 | 0 | 0 | 0 | 107.8 | V268 I270 A275 | I194-V268 PolarHBondContact N-O 3.47Å; I194-V268 PolarHBondContact O-N 3.45Å; I194-I270 HydrophobicContact CD1-CD1 4.02Å; I194-I270 HydrophobicContact CD1-CG1 4.41Å; I194-A275 HydrophobicContact CD1-CB 3.49Å; I194-A275 VanDerWaalsContact CD1-CB 3.49Å; I194-A275 HydrophobicContact CG1-CB 4.3Å |
| 195 | G | 67.9 | Low | 63.7 | Low | 40 Ų | 40 | 92 Ų | 92 | 41% | 0.412 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 119.8 | 163.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | E266 M267 | G195-E266 WeakPolarHBondContact CA-O 3.27Å; G195-M267 WeakPolarHBondContact O-CG 3.24Å |
| 196 | G | 57.7 | Low | 61 | Low | 28 Ų | 28 | 91.2 Ų | 91.2 | 29% | 0.289 | 54% | 0.538 | S | S | . | . | S | Bend | trans | 102.4 | 95.3 | -136.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | N198 E266 | G196-N198 PolarHBondContact O-N 3.3Å; G196-E266 PolarHBondContact N-O 3.41Å |
| 197 | T | 47.8 | Very low | 58.5 | Low | 115 Ų | 115 | 97.4 Ų | 97.4 | 71% | 0.706 | 57% | 0.571 | S | S | * | * | trans | -52.8 | 116.7 | 166.7 | 47 | 0 | 0 | 0 | 0 | 106.3 | A199 | T197-A199 PolarHBondContact O-N 3.23Š| ||
| 198 | N | 45.6 | Very low | 56.1 | Low | 135 Ų | 135 | 100.4 Ų | 100.4 | 72% | 0.722 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -62.9 | 25.9 | 164.6 | -61.5 | -24.5 | 0 | 0 | 0 | 111.3 | G196 D200 | G196-N198 PolarHBondContact O-N 3.3Å; N198-D200 VanDerWaalsContact C-N 3.28Å |
| 199 | A | 45 | Very low | 53.7 | Low | 74 Ų | 74 | 101.5 Ų | 101.5 | 61% | 0.612 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -75.2 | -19.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T197 | T197-A199 PolarHBondContact O-N 3.23Š|
| 200 | D | 41.3 | Very low | 51.3 | Low | 133 Ų | 133 | 103.3 Ų | 103.3 | 71% | 0.711 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -125.8 | 44.9 | 176.5 | -62.1 | -39 | 0 | 0 | 0 | 111.9 | N198 N202 | N198-D200 VanDerWaalsContact C-N 3.28Å; D200-N202 PolarHBondContact O-N 3.08Å |
| 201 | D | 39.2 | Very low | 48.9 | Very low | 129 Ų | 129 | 110.3 Ų | 110.3 | 69% | 0.69 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 63.9 | 153.7 | -79.2 | -23 | 0 | 0 | 0 | 109.1 | ||
| 202 | N | 36 | Very low | 46.5 | Very low | 146 Ų | 146 | 112.7 Ų | 112.7 | 78% | 0.781 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.6 | 0.5 | 161.1 | -129.3 | -13.8 | 0 | 0 | 0 | 116.4 | D200 T204 | D200-N202 PolarHBondContact O-N 3.08Å; N202-T204 PolarHBondContact O-N 2.96Å; N202-T204 VanDerWaalsContact O-N 3.07Å; N202-T204 PolarHBondContact O-OG1 2.71Å |
| 203 | S | 37.8 | Very low | 44.3 | Very low | 95 Ų | 95 | 115.7 Ų | 115.7 | 66% | 0.664 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -85.9 | 75.2 | 164.4 | 64.7 | 0 | 0 | 0 | 0 | 109.1 | L205 | S203-L205 PolarHBondContact O-N 3.45Š|
| 204 | T | 34.8 | Very low | 42.2 | Very low | 112 Ų | 112 | 118.8 Ų | 118.8 | 69% | 0.687 | 68% | 0.68 | S | S | * | * | trans | 2.7 | 86.8 | 145.2 | -2.1 | 0 | 0 | 0 | 0 | 113.8 | N202 S206 | N202-T204 PolarHBondContact O-N 2.96Å; N202-T204 VanDerWaalsContact O-N 3.07Å; N202-T204 PolarHBondContact O-OG1 2.71Å; T204-S206 WeakPolarHBondContact CG2-OG 3.46Å; T204-S206 PolarHBondContact O-N 2.65Å | ||
| 205 | L | 33.1 | Very low | 40.5 | Very low | 179 Ų | 179 | 124.8 Ų | 124.8 | 94% | 0.937 | 71% | 0.713 | S | S | * | * | trans | -77.1 | 56.3 | 161.8 | -148.3 | 87 | 0 | 0 | 0 | 108.2 | S203 | S203-L205 PolarHBondContact O-N 3.45Š| ||
| 206 | S | 34.1 | Very low | 39 | Very low | 77 Ų | 77 | 129.2 Ų | 129.2 | 54% | 0.538 | 73% | 0.732 | S | S | . | * | trans | -114.5 | 60.6 | 173.9 | 67.9 | 0 | 0 | 0 | 0 | 108 | T204 | T204-S206 WeakPolarHBondContact CG2-OG 3.46Å; T204-S206 PolarHBondContact O-N 2.65Å | ||
| 207 | N | 35.3 | Very low | 38 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | trans | -161.7 | 62.2 | 167.9 | -93.3 | -15.7 | 0 | 0 | 0 | 108.1 | ||||
| 208 | M | 36.7 | Very low | 37.5 | Very low | 173 Ų | 173 | 138.4 Ų | 138.4 | 85% | 0.852 | 77% | 0.768 | S | S | * | * | trans | -129.4 | 70.8 | 159.2 | -157.5 | -171.4 | 172.2 | 0 | 0 | 108 | E210 | M208-E210 PolarHBondContact O-N 3.25Š| ||
| 209 | E | 35.9 | Very low | 36.9 | Very low | 174 Ų | 174 | 137.5 Ų | 137.5 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | -64 | 93.8 | 157.4 | -73.4 | -178.9 | 159.3 | 0 | 0 | 107.5 | L211 | E209-L211 PolarHBondContact O-N 2.97Š| ||
| 210 | E | 37 | Very low | 36.5 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 73% | 0.729 | 78% | 0.776 | S | S | * | * | 21.8 | 76.2 | 127.9 | -157.8 | 170.7 | -164.6 | 0 | 0 | 116 | M208 T212 | M208-E210 PolarHBondContact O-N 3.25Å; E210-T212 HydrophobicContact CG-CG2 4.32Å; E210-T212 WeakPolarHBondContact CG-OG1 3.48Å; E210-T212 PolarHBondContact O-N 3.08Å | |||
| 211 | L | 36.6 | Very low | 35.9 | Very low | 176 Ų | 176 | 138 Ų | 138 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | trans | -88.8 | 78.9 | 154.6 | -90.2 | 116.4 | 0 | 0 | 0 | 108.8 | E209 | E209-L211 PolarHBondContact O-N 2.97Š| ||
| 212 | T | 35.4 | Very low | 36 | Very low | 98 Ų | 98 | 138 Ų | 138 | 60% | 0.601 | 78% | 0.777 | S | S | * | * | trans | -121.2 | 66 | 171 | 56.2 | 0 | 0 | 0 | 0 | 110.9 | E210 | E210-T212 HydrophobicContact CG-CG2 4.32Å; E210-T212 WeakPolarHBondContact CG-OG1 3.48Å; E210-T212 PolarHBondContact O-N 3.08Å | ||
| 213 | T | 36.5 | Very low | 35.7 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -161 | 93.6 | 165.6 | 37.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 214 | T | 37.9 | Very low | 35.5 | Very low | 135 Ų | 135 | 139.5 Ų | 139.5 | 83% | 0.828 | 78% | 0.784 | S | S | * | * | trans | 168.5 | 68.3 | 140.2 | 53.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 215 | N | 39.4 | Very low | 35.2 | Very low | 166 Ų | 166 | 143.9 Ų | 143.9 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -142.1 | 64.2 | 165.9 | -107.6 | 1.2 | 0 | 0 | 0 | 108.6 | ||||
| 216 | T | 36.6 | Very low | 35.3 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -146.6 | 50.3 | 176.6 | -36.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 217 | L | 35.8 | Very low | 35.3 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | -169.4 | 107.5 | 155.6 | -139.7 | 62.1 | 0 | 0 | 0 | 108.9 | ||||
| 218 | I | 38.3 | Very low | 35.2 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | trans | 179.5 | 72.2 | 132.8 | -75.1 | 141.4 | 0 | 0 | 0 | 104.1 | ||||
| 219 | S | 32 | Very low | 35.5 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -100.9 | 117.1 | 149.5 | -66.2 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 220 | S | 35.9 | Very low | 35.7 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | 163.9 | 105.4 | 145.9 | -74.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 221 | T | 28.7 | Very low | 36.1 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | 53.3 | 116.1 | 127.2 | 66.8 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 222 | N | 41.5 | Very low | 36.3 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 69% | 0.69 | 78% | 0.781 | S | S | * | * | 177.2 | 115.9 | 113.7 | -93 | -34.9 | 0 | 0 | 0 | 110.4 | |||||
| 223 | K | 30.8 | Very low | 36.4 | Very low | 200 Ų | 200 | 137.7 Ų | 137.7 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | 70.1 | 115.1 | 104.8 | -72.8 | -177.3 | -179.2 | 174.7 | 0 | 114.7 | |||||
| 224 | G | 32.4 | Very low | 36.7 | Very low | 71 Ų | 71 | 137.5 Ų | 137.5 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | trans | 142.8 | 74.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 225 | K | 30.3 | Very low | 36.8 | Very low | 205 Ų | 205 | 139.6 Ų | 139.6 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | 61.1 | 91.6 | 91.8 | -162.1 | 168.6 | -169.7 | 172.5 | 0 | 111.8 | |||||
| 226 | S | 34.6 | Very low | 36.7 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -173.9 | 116.1 | 132.5 | -98.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 227 | T | 33.9 | Very low | 36.9 | Very low | 122 Ų | 122 | 141 Ų | 141 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | 54.1 | 93.7 | 137 | 64.2 | 0 | 0 | 0 | 0 | 119 | N229 | T227-N229 PolarHBondContact O-N 3.08Š| ||
| 228 | S | 33.7 | Very low | 36.8 | Very low | 100 Ų | 100 | 136.7 Ų | 136.7 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | -21.3 | 119.8 | 139.5 | 166.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 229 | N | 42.4 | Very low | 36.4 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | -143.8 | 78.5 | 147.5 | -83 | -30 | 0 | 0 | 0 | 107.4 | T227 S231 | T227-N229 PolarHBondContact O-N 3.08Å; N229-S231 VanDerWaalsContact C-N 3.33Å; N229-S231 PolarHBondContact O-N 3.34Å; N229-S231 VanDerWaalsContact O-N 3.07Å | ||
| 230 | N | 40.1 | Very low | 36.7 | Very low | 153 Ų | 153 | 135.9 Ų | 135.9 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -73 | 87.3 | 168 | -77.9 | -18.5 | 0 | 0 | 0 | 108.7 | ||||
| 231 | S | 44.5 | Very low | 36.6 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -97.4 | 107.6 | 159.6 | 58 | 0 | 0 | 0 | 0 | 108.4 | N229 L233 | N229-S231 VanDerWaalsContact C-N 3.33Å; N229-S231 PolarHBondContact O-N 3.34Å; N229-S231 VanDerWaalsContact O-N 3.07Å; S231-L233 PolarHBondContact O-N 3.41Å; S231-L233 VanDerWaalsContact O-N 3.12Å | ||
| 232 | N | 40.9 | Very low | 37.1 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -48.2 | 111.8 | 169.2 | -60.1 | -44.6 | 0 | 0 | 0 | 110.2 | ||||
| 233 | L | 39 | Very low | 36.7 | Very low | 170 Ų | 170 | 139.3 Ų | 139.3 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | -110.7 | 89.5 | 163.2 | -159.9 | 65.7 | 0 | 0 | 0 | 109.3 | S231 | S231-L233 PolarHBondContact O-N 3.41Å; S231-L233 VanDerWaalsContact O-N 3.12Å | ||
| 234 | V | 43.3 | Very low | 37.2 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 72% | 0.715 | 79% | 0.787 | S | S | * | * | trans | 0.9 | 118.5 | 153 | -178.6 | 0 | 0 | 0 | 0 | 115.5 | M236 | V234-M236 PolarHBondContact O-N 2.88Š| ||
| 235 | M | 39.5 | Very low | 37.2 | Very low | 180 Ų | 180 | 140.5 Ų | 140.5 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | -54.3 | 113.5 | 159 | -63.5 | -176.1 | -87.9 | 0 | 0 | 109.9 | ||||
| 236 | M | 37.4 | Very low | 37.6 | Very low | 182 Ų | 182 | 138.9 Ų | 138.9 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -108.3 | 89 | 170.9 | -154.2 | 165 | -173.2 | 0 | 0 | 108.6 | V234 G238 | V234-M236 PolarHBondContact O-N 2.88Å; M236-G238 VanDerWaalsContact C-N 3.34Å; M236-G238 PolarHBondContact O-N 2.93Å | ||
| 237 | N | 39.9 | Very low | 37.5 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | trans | -66.1 | 92.9 | 165.1 | -88 | 11.7 | 0 | 0 | 0 | 108.7 | L239 | N237-L239 PolarHBondContact O-N 3.37Š| ||
| 238 | G | 33.5 | Very low | 37.6 | Very low | 72 Ų | 72 | 142.6 Ų | 142.6 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | -88.5 | 82.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | M236 S240 | M236-G238 VanDerWaalsContact C-N 3.34Å; M236-G238 PolarHBondContact O-N 2.93Å; G238-S240 PolarHBondContact O-N 3.05Å | ||
| 239 | L | 30.7 | Very low | 37.5 | Very low | 163 Ų | 163 | 143.5 Ų | 143.5 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -73.2 | 103.6 | 162.2 | -71.4 | 158.4 | 0 | 0 | 0 | 107.9 | N237 | N237-L239 PolarHBondContact O-N 3.37Š| ||
| 240 | S | 37.3 | Very low | 37.2 | Very low | 108 Ų | 108 | 143.9 Ų | 143.9 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -131.1 | 105 | 163.8 | -76 | 0 | 0 | 0 | 0 | 109.5 | G238 D242 | G238-S240 PolarHBondContact O-N 3.05Å; S240-D242 PolarHBondContact O-N 3.41Å | ||
| 241 | N | 33.4 | Very low | 36.7 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | trans | -90.8 | 85.5 | -178.9 | -170.6 | 53 | 0 | 0 | 0 | 108.2 | ||||
| 242 | D | 40.2 | Very low | 36.2 | Very low | 146 Ų | 146 | 143.7 Ų | 143.7 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | trans | -98.7 | 87.9 | 175.5 | -82 | -25.5 | 0 | 0 | 0 | 110.6 | S240 N244 | S240-D242 PolarHBondContact O-N 3.41Å; D242-N244 PolarHBondContact O-N 3.24Å | ||
| 243 | N | 34.1 | Very low | 35.8 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 72% | 0.717 | 79% | 0.793 | S | S | * | * | trans | -61.4 | 112.2 | 158.1 | -83.1 | -30 | 0 | 0 | 0 | 109.2 | ||||
| 244 | N | 40.1 | Very low | 35.7 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | -138.8 | 98.2 | 159.4 | -94.2 | -39.8 | 0 | 0 | 0 | 111.2 | D242 H246 | D242-N244 PolarHBondContact O-N 3.24Å; N244-H246 PolarHBondContact O-N 2.9Å | ||
| 245 | N | 32.4 | Very low | 35.1 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -57 | 112.6 | 161.4 | -75.5 | -38 | 0 | 0 | 0 | 110.1 | ||||
| 246 | H | 38.1 | Very low | 34.8 | Very low | 172 Ų | 172 | 143.1 Ų | 143.1 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | trans | -137.3 | 93.4 | 155.2 | -88.8 | -48.8 | 0 | 0 | 0 | 110.6 | N244 K248 | N244-H246 PolarHBondContact O-N 2.9Å; H246-K248 PolarHBondContact O-N 3.28Å; H246-K248 VanDerWaalsContact O-N 3.16Å | ||
| 247 | S | 32.4 | Very low | 34.7 | Very low | 113 Ų | 113 | 138 Ų | 138 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -51.5 | 109 | 157.6 | -43.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 248 | K | 36.8 | Very low | 34.8 | Very low | 190 Ų | 190 | 137.8 Ų | 137.8 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -137.1 | 95.6 | 156.3 | -89.3 | -173.9 | -179.2 | 172.3 | 0 | 109.4 | H246 N250 | H246-K248 PolarHBondContact O-N 3.28Å; H246-K248 VanDerWaalsContact O-N 3.16Å; K248-N250 PolarHBondContact O-N 3.11Å | ||
| 249 | S | 31.9 | Very low | 35.4 | Very low | 119 Ų | 119 | 144 Ų | 144 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -58.2 | 96.9 | 166.7 | -35.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 250 | N | 35.4 | Very low | 36.3 | Very low | 159 Ų | 159 | 139.8 Ų | 139.8 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | -102.5 | 94.2 | 163.8 | -96.8 | 0.3 | 0 | 0 | 0 | 108.3 | K248 L252 | K248-N250 PolarHBondContact O-N 3.11Å; N250-L252 PolarHBondContact O-N 3.43Å; N250-L252 VanDerWaalsContact O-N 3.08Å | ||
| 251 | S | 29.6 | Very low | 36.9 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | -65.7 | 93.2 | 165.8 | 165.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 252 | L | 35.4 | Very low | 37.9 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | -104.7 | 111.9 | 164.7 | -152.6 | 70.6 | 0 | 0 | 0 | 109.2 | N250 H254 | N250-L252 PolarHBondContact O-N 3.43Å; N250-L252 VanDerWaalsContact O-N 3.08Å; L252-H254 PolarHBondContact O-N 2.97Å | ||
| 253 | I | 32.4 | Very low | 38.6 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | trans | -62.2 | 98.9 | 177.6 | -65.4 | 156.3 | 0 | 0 | 0 | 108.1 | ||||
| 254 | H | 36.5 | Very low | 39.7 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | -120 | 91.2 | 156.3 | -77.8 | -61.8 | 0 | 0 | 0 | 107.9 | L252 | L252-H254 PolarHBondContact O-N 2.97Š| ||
| 255 | Q | 30.4 | Very low | 40.9 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 71% | 0.71 | 75% | 0.746 | S | S | * | * | trans | -63.7 | 147.2 | 156.2 | -67.8 | 179.2 | 7.1 | 0 | 0 | 108.4 | ||||
| 256 | N | 33.4 | Very low | 42.8 | Very low | 160 Ų | 160 | 136 Ų | 136 | 86% | 0.856 | 74% | 0.74 | S | S | * | * | trans | 92.6 | 110.8 | 166.7 | -46.1 | -32.9 | 0 | 0 | 0 | 115.3 | ||||
| 257 | G | 35.4 | Very low | 44.7 | Very low | 73 Ų | 73 | 132.7 Ų | 132.7 | 75% | 0.753 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 135.9 | 88.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 258 | D | 41.5 | Very low | 47 | Very low | 143 Ų | 143 | 130 Ų | 130 | 77% | 0.765 | 71% | 0.705 | S | S | * | * | trans | 60.3 | 76.4 | 143.6 | -145.2 | 5.5 | 0 | 0 | 0 | 117 | S260 | D258-S260 PolarHBondContact O-N 3.03Š| ||
| 259 | K | 45.6 | Very low | 49.3 | Very low | 203 Ų | 203 | 125.1 Ų | 125.1 | 88% | 0.883 | 69% | 0.687 | S | S | * | * | trans | -74.7 | 58.7 | 163.5 | -65.7 | -177.1 | -179.2 | 178.7 | 0 | 110.1 | S261 | K259-S261 PolarHBondContact O-N 3.31Š| ||
| 260 | S | 49.3 | Very low | 51.9 | Low | 74 Ų | 74 | 121 Ų | 121 | 52% | 0.517 | 66% | 0.656 | S | S | . | * | trans | -76.6 | 70.8 | 149.5 | 56.8 | 0 | 0 | 0 | 0 | 106.3 | D258 N262 | D258-S260 PolarHBondContact O-N 3.03Å; S260-N262 VanDerWaalsContact C-N 3.26Å; S260-N262 PolarHBondContact O-N 2.97Å | ||
| 261 | S | 51.7 | Low | 54.4 | Low | 93 Ų | 93 | 116.7 Ų | 116.7 | 65% | 0.65 | 64% | 0.635 | S | S | * | * | trans | -59 | 103.8 | 164.5 | 50.7 | 0 | 0 | 0 | 0 | 105.2 | K259 H263 | K259-S261 PolarHBondContact O-N 3.31Å; S261-H263 PolarHBondContact O-N 3.03Å | ||
| 262 | N | 53.2 | Low | 57.1 | Low | 150 Ų | 150 | 117.3 Ų | 117.3 | 80% | 0.802 | 62% | 0.624 | S | S | * | * | trans | -58.7 | 76.8 | 166.1 | -71.4 | -37.6 | 0 | 0 | 0 | 107 | S260 L264 | S260-N262 VanDerWaalsContact C-N 3.26Å; S260-N262 PolarHBondContact O-N 2.97Å; N262-L264 PolarHBondContact O-N 3.3Å | ||
| 263 | H | 55.1 | Low | 59.5 | Low | 143 Ų | 143 | 113.9 Ų | 113.9 | 66% | 0.662 | 61% | 0.612 | S | S | * | * | trans | -76.2 | 88.9 | 174.8 | -158.7 | -64.3 | 0 | 0 | 0 | 104.1 | S261 | S261-H263 PolarHBondContact O-N 3.03Š| ||
| 264 | L | 58.3 | Low | 62.1 | Low | 146 Ų | 146 | 110 Ų | 110 | 76% | 0.764 | 60% | 0.595 | S | S | * | * | trans | -49.7 | 133 | 162.9 | -76.1 | 155.3 | 0 | 0 | 0 | 106.3 | N262 E266 | N262-L264 PolarHBondContact O-N 3.3Å; L264-E266 PolarHBondContact O-N 3.03Å | ||
| 265 | P | 65.3 | Low | 64.4 | Low | 64 Ų | 64 | 102.5 Ų | 102.5 | 42% | 0.416 | 56% | 0.561 | S | S | . | * | trans | -53.9 | 132.6 | 178.9 | 18.3 | -28.5 | 0 | 0 | 0 | 108.8 | M267 | P265-M267 HydrophobicContact CB-CG 4.46Å; P265-M267 WeakPolarHBondContact O-CG 3.44Å; P265-M267 PolarHBondContact O-N 3.22Å; P265-M267 VanDerWaalsContact O-N 3.08Å | ||
| 266 | E | 71.4 | Confident | 67.1 | Low | 150 Ų | 150 | 100.4 Ų | 100.4 | 70% | 0.701 | 55% | 0.552 | S | S | * | * | trans | -67.4 | 111.6 | 174.8 | -164.9 | 169.1 | -166.4 | 0 | 0 | 107.3 | G195 G196 L264 | G195-E266 WeakPolarHBondContact CA-O 3.27Å; G196-E266 PolarHBondContact N-O 3.41Å; L264-E266 PolarHBondContact O-N 3.03Å | ||
| 267 | M | 77.2 | Confident | 69.5 | Low | 101 Ų | 101 | 98.1 Ų | 98.1 | 50% | 0.498 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 139.8 | 179.8 | -55.5 | -167.1 | -58.4 | 0 | 0 | 109.1 | L193 G195 P265 | L193-M267 HydrophobicContact CD2-CE 3.3Å; L193-M267 HydrophobicContact CD2-SD 3.8Å; L193-M267 HydrophobicContact CG-CB 4.22Å; L193-M267 HydrophobicContact CG-CE 4.16Å; L193-M267 HydrophobicContact CG-SD 4.33Å; G195-M267 WeakPolarHBondContact O-CG 3.24Å; P265-M267 HydrophobicContact CB-CG 4.46Å; P265-M267 WeakPolarHBondContact O-CG 3.44Å; P265-M267 PolarHBondContact O-N 3.22Å; P265-M267 VanDerWaalsContact O-N 3.08Å |
| 268 | V | 81.9 | Confident | 71.7 | Confident | 58 Ų | 58 | 95.4 Ų | 95.4 | 35% | 0.352 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 133.9 | -178.9 | -172.8 | 0 | 0 | 0 | 0 | 109.2 | I194 I270 L286 | I194-V268 PolarHBondContact N-O 3.47Å; I194-V268 PolarHBondContact O-N 3.45Å; V268-I270 HydrophobicContact CB-CG1 4.46Å; V268-I270 HydrophobicContact CG1-CD1 4.09Å; V268-I270 HydrophobicContact CG1-CG1 3.82Å; V268-L286 HydrophobicContact CB-CD2 3.72Å; V268-L286 HydrophobicContact CG1-CD2 3.66Å; V268-L286 HydrophobicContact CG2-CD2 3.72Å |
| 269 | L | 85.1 | Confident | 73.7 | Confident | 86 Ų | 86 | 94.4 Ų | 94.4 | 45% | 0.45 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 117.4 | 178.2 | -176.6 | 70.2 | 0 | 0 | 0 | 109.6 | I186 L191 L193 | I186-L269 HydrophobicContact CB-CD1 4.48Å; I186-L269 HydrophobicContact CD1-CD1 4.29Å; I186-L269 HydrophobicContact CG1-CD1 3.93Å; I186-L269 HydrophobicContact CG2-CD1 3.87Å; L191-L269 HydrophobicContact CB-CD1 3.51Å; L191-L269 HydrophobicContact CB-CG 3.96Å; L191-L269 HydrophobicContact CD1-CD1 4.18Å; L191-L269 HydrophobicContact CD1-CD2 3.66Å; L191-L269 HydrophobicContact CD1-CG 3.89Å; L191-L269 HydrophobicContact CG-CD1 4.45Å; L191-L269 HydrophobicContact CG-CG 4.45Å; L193-L269 HydrophobicContact CD1-CB 3.92Å; L193-L269 HydrophobicContact CD1-CD1 3.38Å; L193-L269 HydrophobicContact CD1-CG 4.23Å |
| 270 | I | 85.8 | Confident | 75.4 | Confident | 34 Ų | 34 | 90 Ų | 90 | 17% | 0.174 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 158.3 | -178.7 | -33.2 | -177.5 | 0 | 0 | 0 | 109.7 | L191 V192 I194 V268 T274 L278 L286 | L191-I270 CarbonylContact C-O 3.6Å; L191-I270 WeakPolarHBondContact CA-O 3.3Å; V192-I270 PolarHBondContact N-O 2.77Å; V192-I270 PolarHBondContact O-N 3.04Å; I194-I270 HydrophobicContact CD1-CD1 4.02Å; I194-I270 HydrophobicContact CD1-CG1 4.41Å; V268-I270 HydrophobicContact CB-CG1 4.46Å; V268-I270 HydrophobicContact CG1-CD1 4.09Å; V268-I270 HydrophobicContact CG1-CG1 3.82Å; I270-T274 WeakPolarHBondContact CG2-OG1 3.37Å; I270-L278 HydrophobicContact CD1-CD1 3.91Å; I270-L286 HydrophobicContact CD1-CD1 3.6Å; I270-L286 HydrophobicContact CD1-CD2 3.69Å; I270-L286 HydrophobicContact CD1-CG 4.31Å |
| 271 | T | 88.7 | Confident | 76.9 | Confident | 68 Ų | 68 | 87.9 Ų | 87.9 | 42% | 0.417 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 148.8 | 176.3 | -48.7 | 0 | 0 | 0 | 0 | 111.4 | S273 T274 A275 | T271-S273 VanDerWaalsContact C-N 3.3Å; T271-S273 PolarHBondContact O-N 3.48Å; T271-T274 WeakPolarHBondContact CA-OG1 3.33Å; T271-T274 WeakPolarHBondContact CB-OG1 3.41Å; T271-T274 PolarHBondContact N-OG1 3.08Å; T271-T274 PolarHBondContact O-N 3.04Å; T271-T274 VanDerWaalsContact O-N 3.16Å; T271-T274 PolarHBondContact O-OG1 2.68Å; T271-A275 PolarHBondContact O-N 3.19Å |
| 272 | K | 84.8 | Confident | 78.1 | Confident | 122 Ų | 122 | 88.7 Ų | 88.7 | 53% | 0.53 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -54.2 | -44.5 | 176.6 | -175 | 178.1 | 176.9 | -178.8 | 0 | 112.9 | G190 V192 T274 A275 E276 | G190-K272 WeakPolarHBondContact O-CB 3.47Å; G190-K272 PolarHBondContact O-N 2.88Å; V192-K272 HydrophobicContact CG2-CB 4.04Å; V192-K272 HydrophobicContact CG2-CG 4.33Å; K272-T274 PolarHBondContact O-N 3.4Å; K272-A275 WeakPolarHBondContact O-CB 3.34Å; K272-A275 PolarHBondContact O-N 3.29Å; K272-E276 WeakPolarHBondContact CE-OE1 3.4Å; K272-E276 WeakPolarHBondContact O-CG 3.39Å; K272-E276 PolarHBondContact O-N 3.22Å |
| 273 | S | 87.6 | Confident | 79.3 | Confident | 72 Ų | 72 | 84.2 Ų | 84.2 | 50% | 0.503 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.3 | -44.4 | 177.5 | 178.8 | 0 | 0 | 0 | 0 | 112.4 | T271 E276 L277 | T271-S273 VanDerWaalsContact C-N 3.3Å; T271-S273 PolarHBondContact O-N 3.48Å; S273-E276 PolarHBondContact O-N 3.1Å; S273-L277 WeakPolarHBondContact O-CG 3.49Å; S273-L277 PolarHBondContact O-N 2.85Å; S273-L277 VanDerWaalsContact O-N 3.12Å |
| 274 | T | 87 | Confident | 80.2 | Confident | 52 Ų | 52 | 83.2 Ų | 83.2 | 32% | 0.319 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.7 | -36.6 | 175.1 | 40.6 | 0 | 0 | 0 | 0 | 112.6 | I270 T271 K272 E276 L277 L278 | I270-T274 WeakPolarHBondContact CG2-OG1 3.37Å; T271-T274 WeakPolarHBondContact CA-OG1 3.33Å; T271-T274 WeakPolarHBondContact CB-OG1 3.41Å; T271-T274 PolarHBondContact N-OG1 3.08Å; T271-T274 PolarHBondContact O-N 3.04Å; T271-T274 VanDerWaalsContact O-N 3.16Å; T271-T274 PolarHBondContact O-OG1 2.68Å; K272-T274 PolarHBondContact O-N 3.4Å; T274-E276 VanDerWaalsContact C-N 3.34Å; T274-E276 PolarHBondContact O-N 2.87Å; T274-L277 PolarHBondContact O-N 3.08Å; T274-L278 WeakPolarHBondContact O-CB 3.39Å; T274-L278 WeakPolarHBondContact O-CD1 3.47Å; T274-L278 WeakPolarHBondContact O-CG 3.32Å; T274-L278 PolarHBondContact O-N 2.98Å |
| 275 | A | 84.6 | Confident | 81.4 | Confident | 8 Ų | 8 | 79.2 Ų | 79.2 | 7% | 0.066 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I194 T271 K272 L278 N279 | I194-A275 HydrophobicContact CD1-CB 3.49Å; I194-A275 VanDerWaalsContact CD1-CB 3.49Å; I194-A275 HydrophobicContact CG1-CB 4.3Å; T271-A275 PolarHBondContact O-N 3.19Å; K272-A275 WeakPolarHBondContact O-CB 3.34Å; K272-A275 PolarHBondContact O-N 3.29Å; A275-L278 PolarHBondContact O-N 3.12Å; A275-N279 WeakPolarHBondContact O-CB 3.49Å; A275-N279 VanDerWaalsContact O-CG 3.29Å; A275-N279 PolarHBondContact O-N 3.01Å; A275-N279 PolarHBondContact O-ND2 2.86Å |
| 276 | E | 85.7 | Confident | 82.1 | Confident | 108 Ų | 108 | 77.6 Ų | 77.6 | 51% | 0.505 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 176.1 | -72.4 | 169.3 | -174.1 | 0 | 0 | 111.8 | K272 S273 T274 N279 T280 | K272-E276 WeakPolarHBondContact CE-OE1 3.4Å; K272-E276 WeakPolarHBondContact O-CG 3.39Å; K272-E276 PolarHBondContact O-N 3.22Å; S273-E276 PolarHBondContact O-N 3.1Å; T274-E276 VanDerWaalsContact C-N 3.34Å; T274-E276 PolarHBondContact O-N 2.87Å; E276-N279 PolarHBondContact O-N 3.11Å; E276-T280 WeakPolarHBondContact O-CG2 3.32Å; E276-T280 PolarHBondContact O-N 3.32Å |
| 277 | L | 84.4 | Confident | 82.7 | Confident | 112 Ų | 112 | 75.3 Ų | 75.3 | 59% | 0.586 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 175.2 | -69.3 | 172.3 | 0 | 0 | 0 | 111.9 | S273 T274 T280 | S273-L277 WeakPolarHBondContact O-CG 3.49Å; S273-L277 PolarHBondContact O-N 2.85Å; S273-L277 VanDerWaalsContact O-N 3.12Å; T274-L277 PolarHBondContact O-N 3.08Å; L277-T280 WeakPolarHBondContact O-CB 3.38Å; L277-T280 PolarHBondContact O-N 2.89Å; L277-T280 PolarHBondContact O-OG1 3.12Å |
| 278 | L | 82.1 | Confident | 83.2 | Confident | 17 Ų | 17 | 75.4 Ų | 75.4 | 9% | 0.089 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -66.8 | -35.8 | 179.4 | -73.6 | 169.5 | 0 | 0 | 0 | 112.3 | I270 T274 A275 T280 L281 L286 Q289 L293 | I270-L278 HydrophobicContact CD1-CD1 3.91Å; T274-L278 WeakPolarHBondContact O-CB 3.39Å; T274-L278 WeakPolarHBondContact O-CD1 3.47Å; T274-L278 WeakPolarHBondContact O-CG 3.32Å; T274-L278 PolarHBondContact O-N 2.98Å; A275-L278 PolarHBondContact O-N 3.12Å; L278-T280 PolarHBondContact O-N 3.38Å; L278-L281 WeakPolarHBondContact O-CB 3.45Å; L278-L281 PolarHBondContact O-N 2.94Å; L278-L286 HydrophobicContact CD1-CD1 3.4Å; L278-L286 VanDerWaalsContact CD1-CD1 3.4Å; L278-L286 HydrophobicContact CD2-CD1 4.32Å; L278-L286 HydrophobicContact CG-CD1 4.42Å; L278-Q289 HydrophobicContact CD2-CB 4.03Å; L278-Q289 PolarHBondContact O-NE2 3.08Å; L278-L293 HydrophobicContact CD2-CD1 4.11Å |
| 279 | N | 82.1 | Confident | 83.3 | Confident | 121 Ų | 121 | 73.4 Ų | 73.4 | 65% | 0.647 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -14 | 174.4 | -76.6 | -20.6 | 0 | 0 | 0 | 114 | A275 E276 L281 | A275-N279 WeakPolarHBondContact O-CB 3.49Å; A275-N279 VanDerWaalsContact O-CG 3.29Å; A275-N279 PolarHBondContact O-N 3.01Å; A275-N279 PolarHBondContact O-ND2 2.86Å; E276-N279 PolarHBondContact O-N 3.11Å; N279-L281 VanDerWaalsContact C-N 3.26Å |
| 280 | T | 82.6 | Confident | 83.3 | Confident | 112 Ų | 112 | 72.4 Ų | 72.4 | 69% | 0.687 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -17.2 | 172.1 | 70.7 | 0 | 0 | 0 | 0 | 112.7 | E276 L277 L278 | E276-T280 WeakPolarHBondContact O-CG2 3.32Å; E276-T280 PolarHBondContact O-N 3.32Å; L277-T280 WeakPolarHBondContact O-CB 3.38Å; L277-T280 PolarHBondContact O-N 2.89Å; L277-T280 PolarHBondContact O-OG1 3.12Å; L278-T280 PolarHBondContact O-N 3.38Å |
| 281 | L | 81.2 | Confident | 83.5 | Confident | 28 Ų | 28 | 77 Ų | 77 | 15% | 0.147 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -83.4 | 142 | 173.8 | -100.9 | 61.8 | 0 | 0 | 0 | 110.9 | L278 N279 E283 Q289 Q292 L293 | L278-L281 WeakPolarHBondContact O-CB 3.45Å; L278-L281 PolarHBondContact O-N 2.94Å; N279-L281 VanDerWaalsContact C-N 3.26Å; L281-E283 PolarHBondContact O-N 3.31Å; L281-Q289 HydrophobicContact CB-CB 4.47Å; L281-Q289 HydrophobicContact CB-CG 4.07Å; L281-Q289 HydrophobicContact CD2-CB 3.96Å; L281-Q289 HydrophobicContact CD2-CG 4.4Å; L281-Q289 WeakPolarHBondContact CD2-O 3.49Å; L281-Q292 HydrophobicContact CD2-CB 3.85Å; L281-Q292 HydrophobicContact CD2-CG 3.97Å; L281-Q292 VanDerWaalsContact CD2-OE1 3.27Å; L281-Q292 HydrophobicContact CG-CG 4.44Å; L281-Q292 VanDerWaalsContact CG-OE1 3.24Å; L281-L293 HydrophobicContact CD1-CD2 4.01Å; L281-L293 HydrophobicContact CD2-CD2 4.02Å; L281-L293 HydrophobicContact CD2-CG 3.83Å |
| 282 | S | 76.9 | Confident | 83.4 | Confident | 110 Ų | 110 | 76.7 Ų | 76.7 | 77% | 0.769 | 41% | 0.414 | S | S | * | . | trans | -76.1 | -3.6 | -178.7 | 55.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 283 | E | 77.9 | Confident | 83.7 | Confident | 57 Ų | 57 | 74.3 Ų | 74.3 | 27% | 0.266 | 41% | 0.407 | S | S | . | . | trans | -84 | 146.3 | -172.8 | -74.2 | 179.1 | 171.4 | 0 | 0 | 112.9 | L281 K288 Q289 Q292 | L281-E283 PolarHBondContact O-N 3.31Å; E283-K288 HydrophobicContact CB-CB 3.99Å; E283-K288 HydrophobicContact CG-CB 4.39Å; E283-K288 WeakPolarHBondContact OE2-CA 3.4Å; E283-K288 WeakPolarHBondContact OE2-CB 3.35Å; E283-Q289 HydrophobicContact CB-CG 3.74Å; E283-Q289 PolarHBondContact O-NE2 3.04Å; E283-Q289 VanDerWaalsContact OE2-CA 3.25Å; E283-Q289 WeakPolarHBondContact OE2-CA 3.31Å; E283-Q289 PolarHBondContact OE2-N 3.08Å; E283-Q292 VanDerWaalsContact CD-CB 3.44Å; E283-Q292 WeakPolarHBondContact OE1-CB 3.49Å; E283-Q292 PolarHBondContact OE1-OE1 3.09Å; E283-Q292 WeakPolarHBondContact OE2-CB 2.89Å; E283-Q292 PolarHBondContact OE2-OE1 3.39Å | ||
| 284 | T | 74.9 | Confident | 83.9 | Confident | 121 Ų | 121 | 77.6 Ų | 77.6 | 74% | 0.742 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -83.2 | -25.3 | -164.9 | 58.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 285 | T | 81.8 | Confident | 84.2 | Confident | 62 Ų | 62 | 78 Ų | 78 | 38% | 0.38 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -122.7 | 147.3 | -177.3 | 61.6 | 0 | 0 | 0 | 0 | 109.7 | D287 K288 Q289 | T285-D287 PolarHBondContact O-N 3.39Å; T285-K288 PolarHBondContact O-N 3.49Å; T285-K288 VanDerWaalsContact O-N 3.08Å; T285-K288 WeakPolarHBondContact OG1-CB 3.34Å; T285-K288 WeakPolarHBondContact OG1-CD 3.42Å; T285-K288 WeakPolarHBondContact OG1-CG 3.39Å; T285-K288 PolarHBondContact OG1-N 2.88Å; T285-Q289 WeakPolarHBondContact O-CG 3.24Å; T285-Q289 PolarHBondContact O-N 2.88Å |
| 286 | L | 81.4 | Confident | 84.5 | Confident | 30 Ų | 30 | 82.1 Ų | 82.1 | 16% | 0.157 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -53.1 | -44.8 | 178.5 | 179 | 66.9 | 0 | 0 | 0 | 111.8 | V268 I270 L278 K288 Q289 I290 | V268-L286 HydrophobicContact CB-CD2 3.72Å; V268-L286 HydrophobicContact CG1-CD2 3.66Å; V268-L286 HydrophobicContact CG2-CD2 3.72Å; I270-L286 HydrophobicContact CD1-CD1 3.6Å; I270-L286 HydrophobicContact CD1-CD2 3.69Å; I270-L286 HydrophobicContact CD1-CG 4.31Å; L278-L286 HydrophobicContact CD1-CD1 3.4Å; L278-L286 VanDerWaalsContact CD1-CD1 3.4Å; L278-L286 HydrophobicContact CD2-CD1 4.32Å; L278-L286 HydrophobicContact CG-CD1 4.42Å; L286-K288 VanDerWaalsContact C-N 3.32Å; L286-K288 PolarHBondContact O-N 2.91Å; L286-Q289 WeakPolarHBondContact O-CB 3.33Å; L286-Q289 PolarHBondContact O-N 3.42Å; L286-I290 HydrophobicContact CD1-CD1 4.25Å; L286-I290 HydrophobicContact CD1-CG1 4.5Å; L286-I290 HydrophobicContact CG-CD1 3.94Å; L286-I290 VanDerWaalsContact O-CG1 3.31Å; L286-I290 WeakPolarHBondContact O-CG1 3.49Å; L286-I290 PolarHBondContact O-N 3.03Å |
| 287 | D | 84.4 | Confident | 84.9 | Confident | 102 Ų | 102 | 84 Ų | 84 | 55% | 0.545 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.4 | -37.4 | -179.9 | -68.7 | -35.5 | 0 | 0 | 0 | 113.1 | T285 Q291 | T285-D287 PolarHBondContact O-N 3.39Å; D287-Q291 VanDerWaalsContact O-CG 3.28Å; D287-Q291 WeakPolarHBondContact O-CG 3.28Å; D287-Q291 PolarHBondContact O-N 3.43Å |
| 288 | K | 85.8 | Confident | 85.4 | Confident | 103 Ų | 103 | 82.3 Ų | 82.3 | 45% | 0.448 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65 | -52 | 174.1 | -73.8 | 177.4 | -175.6 | -179.8 | 0 | 108.5 | E283 T285 L286 I290 Q291 Q292 | E283-K288 HydrophobicContact CB-CB 3.99Å; E283-K288 HydrophobicContact CG-CB 4.39Å; E283-K288 WeakPolarHBondContact OE2-CA 3.4Å; E283-K288 WeakPolarHBondContact OE2-CB 3.35Å; T285-K288 PolarHBondContact O-N 3.49Å; T285-K288 VanDerWaalsContact O-N 3.08Å; T285-K288 WeakPolarHBondContact OG1-CB 3.34Å; T285-K288 WeakPolarHBondContact OG1-CD 3.42Å; T285-K288 WeakPolarHBondContact OG1-CG 3.39Å; T285-K288 PolarHBondContact OG1-N 2.88Å; L286-K288 VanDerWaalsContact C-N 3.32Å; L286-K288 PolarHBondContact O-N 2.91Å; K288-I290 CarbonylContact O-C 3.56Å; K288-I290 PolarHBondContact O-N 2.92Å; K288-I290 VanDerWaalsContact O-N 3.09Å; K288-Q291 CarbonylContact O-C 3.55Å; K288-Q291 VanDerWaalsContact O-CA 3.3Å; K288-Q291 WeakPolarHBondContact O-CA 3.25Å; K288-Q291 VanDerWaalsContact O-CB 3.29Å; K288-Q291 WeakPolarHBondContact O-CB 3.43Å; K288-Q291 PolarHBondContact O-N 3.4Å; K288-Q292 PolarHBondContact O-N 3.35Å |
| 289 | Q | 84.6 | Confident | 86 | Confident | 16 Ų | 16 | 87.6 Ų | 87.6 | 8% | 0.075 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -53 | -40.9 | -178.7 | -68.7 | 173.6 | -17.2 | 0 | 0 | 111.6 | L278 L281 E283 T285 L286 Q292 L293 | L278-Q289 HydrophobicContact CD2-CB 4.03Å; L278-Q289 PolarHBondContact O-NE2 3.08Å; L281-Q289 HydrophobicContact CB-CB 4.47Å; L281-Q289 HydrophobicContact CB-CG 4.07Å; L281-Q289 HydrophobicContact CD2-CB 3.96Å; L281-Q289 HydrophobicContact CD2-CG 4.4Å; L281-Q289 WeakPolarHBondContact CD2-O 3.49Å; E283-Q289 HydrophobicContact CB-CG 3.74Å; E283-Q289 PolarHBondContact O-NE2 3.04Å; E283-Q289 VanDerWaalsContact OE2-CA 3.25Å; E283-Q289 WeakPolarHBondContact OE2-CA 3.31Å; E283-Q289 PolarHBondContact OE2-N 3.08Å; T285-Q289 WeakPolarHBondContact O-CG 3.24Å; T285-Q289 PolarHBondContact O-N 2.88Å; L286-Q289 WeakPolarHBondContact O-CB 3.33Å; L286-Q289 PolarHBondContact O-N 3.42Å; Q289-Q292 PolarHBondContact O-N 3.07Å; Q289-L293 WeakPolarHBondContact O-CG 3.29Å; Q289-L293 PolarHBondContact O-N 2.77Å |
| 290 | I | 85.5 | Confident | 86.6 | Confident | 65 Ų | 65 | 86.7 Ų | 86.7 | 33% | 0.333 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.1 | -48.4 | 173.5 | -67.7 | 167.9 | 0 | 0 | 0 | 111.1 | L286 K288 Q292 L293 F294 | L286-I290 HydrophobicContact CD1-CD1 4.25Å; L286-I290 HydrophobicContact CD1-CG1 4.5Å; L286-I290 HydrophobicContact CG-CD1 3.94Å; L286-I290 VanDerWaalsContact O-CG1 3.31Å; L286-I290 WeakPolarHBondContact O-CG1 3.49Å; L286-I290 PolarHBondContact O-N 3.03Å; K288-I290 CarbonylContact O-C 3.56Å; K288-I290 PolarHBondContact O-N 2.92Å; K288-I290 VanDerWaalsContact O-N 3.09Å; I290-Q292 VanDerWaalsContact C-N 3.32Å; I290-Q292 PolarHBondContact O-N 3.02Å; I290-L293 PolarHBondContact O-N 3.43Å; I290-F294 HydrophobicContact CG2-CD2 3.77Å; I290-F294 HydrophobicContact CG2-CE2 3.64Å; I290-F294 VanDerWaalsContact O-CD2 3.24Å; I290-F294 WeakPolarHBondContact O-CD2 3.47Å; I290-F294 PolarHBondContact O-N 3.35Å |
| 291 | Q | 89.3 | Confident | 87.3 | Confident | 132 Ų | 132 | 84.5 Ų | 84.5 | 62% | 0.617 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -58.5 | -40.3 | 176 | -70.4 | 171.3 | 24.7 | 0 | 0 | 112.6 | D287 K288 F294 S295 | D287-Q291 VanDerWaalsContact O-CG 3.28Å; D287-Q291 WeakPolarHBondContact O-CG 3.28Å; D287-Q291 PolarHBondContact O-N 3.43Å; K288-Q291 CarbonylContact O-C 3.55Å; K288-Q291 VanDerWaalsContact O-CA 3.3Å; K288-Q291 WeakPolarHBondContact O-CA 3.25Å; K288-Q291 VanDerWaalsContact O-CB 3.29Å; K288-Q291 WeakPolarHBondContact O-CB 3.43Å; K288-Q291 PolarHBondContact O-N 3.4Å; Q291-F294 PolarHBondContact O-N 3.02Å; Q291-S295 PolarHBondContact O-N 3.01Å |
| 292 | Q | 87.9 | Confident | 88 | Confident | 61 Ų | 61 | 85.7 Ų | 85.7 | 29% | 0.285 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 175.9 | -175.5 | 176.6 | 20.4 | 0 | 0 | 112.2 | L281 E283 K288 Q289 I290 F294 S295 M296 | L281-Q292 HydrophobicContact CD2-CB 3.85Å; L281-Q292 HydrophobicContact CD2-CG 3.97Å; L281-Q292 VanDerWaalsContact CD2-OE1 3.27Å; L281-Q292 HydrophobicContact CG-CG 4.44Å; L281-Q292 VanDerWaalsContact CG-OE1 3.24Å; E283-Q292 VanDerWaalsContact CD-CB 3.44Å; E283-Q292 WeakPolarHBondContact OE1-CB 3.49Å; E283-Q292 PolarHBondContact OE1-OE1 3.09Å; E283-Q292 WeakPolarHBondContact OE2-CB 2.89Å; E283-Q292 PolarHBondContact OE2-OE1 3.39Å; K288-Q292 PolarHBondContact O-N 3.35Å; Q289-Q292 PolarHBondContact O-N 3.07Å; I290-Q292 VanDerWaalsContact C-N 3.32Å; I290-Q292 PolarHBondContact O-N 3.02Å; Q292-F294 VanDerWaalsContact C-N 3.3Å; Q292-F294 PolarHBondContact O-N 3.38Å; Q292-S295 PolarHBondContact O-N 3.18Å; Q292-M296 WeakPolarHBondContact O-CB 3.35Å; Q292-M296 PolarHBondContact O-N 3.02Å |
| 293 | L | 89.7 | Confident | 88.9 | Confident | 71 Ų | 71 | 85.8 Ų | 85.8 | 37% | 0.372 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 173.3 | -70.3 | 176.2 | 0 | 0 | 0 | 111.7 | L278 L281 Q289 I290 M296 R297 | L278-L293 HydrophobicContact CD2-CD1 4.11Å; L281-L293 HydrophobicContact CD1-CD2 4.01Å; L281-L293 HydrophobicContact CD2-CD2 4.02Å; L281-L293 HydrophobicContact CD2-CG 3.83Å; Q289-L293 WeakPolarHBondContact O-CG 3.29Å; Q289-L293 PolarHBondContact O-N 2.77Å; I290-L293 PolarHBondContact O-N 3.43Å; L293-M296 HydrophobicContact CD2-CE 3.87Å; L293-R297 VanDerWaalsContact O-CB 3.29Å; L293-R297 WeakPolarHBondContact O-CB 3.45Å; L293-R297 PolarHBondContact O-N 3.04Å |
| 294 | F | 92.7 | Very high | 89.8 | Confident | 141 Ų | 141 | 86.6 Ų | 86.6 | 62% | 0.618 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -66.1 | -40.6 | 174.1 | -84 | -74.1 | 0 | 0 | 0 | 112.7 | I290 Q291 Q292 R297 S298 | I290-F294 HydrophobicContact CG2-CD2 3.77Å; I290-F294 HydrophobicContact CG2-CE2 3.64Å; I290-F294 VanDerWaalsContact O-CD2 3.24Å; I290-F294 WeakPolarHBondContact O-CD2 3.47Å; I290-F294 PolarHBondContact O-N 3.35Å; Q291-F294 PolarHBondContact O-N 3.02Å; Q292-F294 VanDerWaalsContact C-N 3.3Å; Q292-F294 PolarHBondContact O-N 3.38Å; F294-R297 PolarHBondContact O-N 3.31Å; F294-S298 PolarHBondContact O-N 2.98Å |
| 295 | S | 91.9 | Very high | 90.8 | Very high | 62 Ų | 62 | 87.4 Ų | 87.4 | 43% | 0.434 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63 | -50.1 | 175.3 | -167.1 | 0 | 0 | 0 | 0 | 111.4 | Q291 Q292 R297 S298 E299 | Q291-S295 PolarHBondContact O-N 3.01Å; Q292-S295 PolarHBondContact O-N 3.18Å; S295-R297 VanDerWaalsContact C-N 3.3Å; S295-R297 PolarHBondContact O-N 2.81Å; S295-S298 WeakPolarHBondContact O-CB 3.37Å; S295-S298 PolarHBondContact O-N 3.3Å; S295-E299 PolarHBondContact O-N 2.9Å |
| 296 | M | 91.1 | Very high | 91.4 | Very high | 93 Ų | 93 | 88.8 Ų | 88.8 | 46% | 0.458 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 178.8 | -174.2 | 174.9 | 68.4 | 0 | 0 | 111.8 | Q292 L293 E299 L300 | Q292-M296 WeakPolarHBondContact O-CB 3.35Å; Q292-M296 PolarHBondContact O-N 3.02Å; L293-M296 HydrophobicContact CD2-CE 3.87Å; M296-E299 PolarHBondContact O-N 3.41Å; M296-L300 HydrophobicContact CG-CD1 4.29Å; M296-L300 WeakPolarHBondContact O-CB 3.38Å; M296-L300 WeakPolarHBondContact O-CG 3.45Å; M296-L300 PolarHBondContact O-N 2.85Å |
| 297 | R | 94 | Very high | 92 | Very high | 148 Ų | 148 | 90.7 Ų | 90.7 | 56% | 0.558 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -61.6 | -44.2 | 172.7 | -175.1 | -174.9 | 176.2 | -67.6 | -11.2 | 111.4 | L293 F294 S295 E299 L300 D301 | L293-R297 VanDerWaalsContact O-CB 3.29Å; L293-R297 WeakPolarHBondContact O-CB 3.45Å; L293-R297 PolarHBondContact O-N 3.04Å; F294-R297 PolarHBondContact O-N 3.31Å; S295-R297 VanDerWaalsContact C-N 3.3Å; S295-R297 PolarHBondContact O-N 2.81Å; R297-E299 VanDerWaalsContact C-N 3.33Å; R297-E299 PolarHBondContact O-N 3.24Å; R297-L300 PolarHBondContact O-N 3.42Å; R297-D301 IonicContact CZ-OD2 3.75Å; R297-D301 IonicContact NH1-OD2 2.85Å; R297-D301 PolarHBondContact NH1-OD2 2.92Å; R297-D301 IonicContact NH2-OD2 2.78Å; R297-D301 WeakPolarHBondContact O-CB 3.45Å; R297-D301 VanDerWaalsContact O-CG 3.32Å; R297-D301 PolarHBondContact O-N 3.36Å |
| 298 | S | 94.9 | Very high | 92.4 | Very high | 77 Ų | 77 | 90 Ų | 90 | 54% | 0.538 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 178 | -169.1 | 0 | 0 | 0 | 0 | 112.7 | F294 S295 A302 | F294-S298 PolarHBondContact O-N 2.98Å; S295-S298 WeakPolarHBondContact O-CB 3.37Å; S295-S298 PolarHBondContact O-N 3.3Å; S298-A302 PolarHBondContact O-N 3.49Å; S298-A302 VanDerWaalsContact O-N 3.12Å |
| 299 | E | 95.4 | Very high | 92.7 | Very high | 128 Ų | 128 | 88.4 Ų | 88.4 | 60% | 0.598 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -68.9 | -42 | 176.2 | -71 | 172.8 | -157 | 0 | 0 | 112.1 | S295 M296 R297 A302 R303 | S295-E299 PolarHBondContact O-N 2.9Å; M296-E299 PolarHBondContact O-N 3.41Å; R297-E299 VanDerWaalsContact C-N 3.33Å; R297-E299 PolarHBondContact O-N 3.24Å; E299-A302 PolarHBondContact O-N 3.45Å; E299-R303 PolarHBondContact O-N 3.37Å |
| 300 | L | 95.5 | Very high | 93 | Very high | 101 Ų | 101 | 91.4 Ų | 91.4 | 53% | 0.529 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 175.1 | -78.7 | 167.8 | 0 | 0 | 0 | 111.7 | M296 R297 A302 R303 V304 | M296-L300 HydrophobicContact CG-CD1 4.29Å; M296-L300 WeakPolarHBondContact O-CB 3.38Å; M296-L300 WeakPolarHBondContact O-CG 3.45Å; M296-L300 PolarHBondContact O-N 2.85Å; R297-L300 PolarHBondContact O-N 3.42Å; L300-A302 VanDerWaalsContact C-N 3.33Å; L300-A302 PolarHBondContact O-N 3.49Å; L300-R303 PolarHBondContact O-N 2.88Å; L300-V304 VanDerWaalsContact O-CG2 3.31Å; L300-V304 WeakPolarHBondContact O-CG2 3.49Å; L300-V304 PolarHBondContact O-N 3.47Å |
| 301 | D | 96.4 | Very high | 93.1 | Very high | 66 Ų | 66 | 93.7 Ų | 93.7 | 35% | 0.353 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.4 | -45.9 | 175.3 | -75.5 | -22.1 | 0 | 0 | 0 | 110.3 | R297 R303 V304 E305 | R297-D301 IonicContact CZ-OD2 3.75Å; R297-D301 IonicContact NH1-OD2 2.85Å; R297-D301 PolarHBondContact NH1-OD2 2.92Å; R297-D301 IonicContact NH2-OD2 2.78Å; R297-D301 WeakPolarHBondContact O-CB 3.45Å; R297-D301 VanDerWaalsContact O-CG 3.32Å; R297-D301 PolarHBondContact O-N 3.36Å; D301-R303 PolarHBondContact O-N 3.02Å; D301-V304 PolarHBondContact O-N 2.95Å; D301-E305 WeakPolarHBondContact O-CG 3.42Å; D301-E305 PolarHBondContact O-N 2.87Å |
| 302 | A | 95.7 | Very high | 92.9 | Very high | 54 Ų | 54 | 94.1 Ų | 94.1 | 45% | 0.446 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S298 E299 L300 E305 E306 | S298-A302 PolarHBondContact O-N 3.49Å; S298-A302 VanDerWaalsContact O-N 3.12Å; E299-A302 PolarHBondContact O-N 3.45Å; L300-A302 VanDerWaalsContact C-N 3.33Å; L300-A302 PolarHBondContact O-N 3.49Å; A302-E305 PolarHBondContact O-N 3.47Å; A302-E306 WeakPolarHBondContact O-CB 3.27Å; A302-E306 PolarHBondContact O-N 3.06Å |
| 303 | R | 96.4 | Very high | 92.7 | Very high | 112 Ų | 112 | 95.9 Ų | 95.9 | 42% | 0.423 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.4 | -36.7 | 176.7 | -176.9 | 56.2 | 177.4 | 167.3 | 2.6 | 112.1 | E299 L300 D301 E306 L307 | E299-R303 PolarHBondContact O-N 3.37Å; L300-R303 PolarHBondContact O-N 2.88Å; D301-R303 PolarHBondContact O-N 3.02Å; R303-E306 IonicContact CZ-OE2 3.79Å; R303-E306 IonicContact NH1-OE1 3.13Å; R303-E306 PolarHBondContact NH1-OE1 2.85Å; R303-E306 IonicContact NH1-OE2 2.68Å; R303-E306 PolarHBondContact NH1-OE2 3.49Å; R303-E306 PolarHBondContact O-N 3.27Å; R303-L307 HydrophobicContact CG-CD1 4.08Å; R303-L307 HydrophobicContact CG-CG 4.42Å; R303-L307 WeakPolarHBondContact O-CB 3.36Å; R303-L307 VanDerWaalsContact O-CG 3.26Å; R303-L307 WeakPolarHBondContact O-CG 3.4Å; R303-L307 PolarHBondContact O-N 3.42Å |
| 304 | V | 95.9 | Very high | 92 | Very high | 74 Ų | 74 | 96.9 Ų | 96.9 | 45% | 0.448 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.9 | -47 | 174.1 | 170.3 | 0 | 0 | 0 | 0 | 109.8 | L300 D301 E306 L307 E308 | L300-V304 VanDerWaalsContact O-CG2 3.31Å; L300-V304 WeakPolarHBondContact O-CG2 3.49Å; L300-V304 PolarHBondContact O-N 3.47Å; D301-V304 PolarHBondContact O-N 2.95Å; V304-E306 VanDerWaalsContact C-N 3.31Å; V304-E306 PolarHBondContact O-N 3.31Å; V304-L307 PolarHBondContact O-N 2.68Å; V304-E308 HydrophobicContact CG1-CG 4.33Å; V304-E308 WeakPolarHBondContact O-CB 3.37Å; V304-E308 VanDerWaalsContact O-CG 3.31Å; V304-E308 WeakPolarHBondContact O-CG 3.46Å; V304-E308 PolarHBondContact O-N 3.03Å |
| 305 | E | 95.4 | Very high | 91.2 | Very high | 138 Ų | 138 | 99.7 Ų | 99.7 | 65% | 0.645 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58.9 | -42.1 | 175.5 | -73.3 | -176.3 | 175.8 | 0 | 0 | 112.2 | D301 A302 S309 | D301-E305 WeakPolarHBondContact O-CG 3.42Å; D301-E305 PolarHBondContact O-N 2.87Å; A302-E305 PolarHBondContact O-N 3.47Å; E305-S309 WeakPolarHBondContact O-CB 3.34Å; E305-S309 PolarHBondContact O-N 3.26Å |
| 306 | E | 95.1 | Very high | 90.4 | Very high | 90 Ų | 90 | 104.6 Ų | 104.6 | 42% | 0.421 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.8 | -48.9 | 176 | -168.5 | -164.8 | 172.3 | 0 | 0 | 111.7 | A302 R303 V304 E308 S309 Q310 | A302-E306 WeakPolarHBondContact O-CB 3.27Å; A302-E306 PolarHBondContact O-N 3.06Å; R303-E306 IonicContact CZ-OE2 3.79Å; R303-E306 IonicContact NH1-OE1 3.13Å; R303-E306 PolarHBondContact NH1-OE1 2.85Å; R303-E306 IonicContact NH1-OE2 2.68Å; R303-E306 PolarHBondContact NH1-OE2 3.49Å; R303-E306 PolarHBondContact O-N 3.27Å; V304-E306 VanDerWaalsContact C-N 3.31Å; V304-E306 PolarHBondContact O-N 3.31Å; E306-E308 VanDerWaalsContact C-N 3.33Å; E306-E308 PolarHBondContact O-N 2.78Å; E306-S309 WeakPolarHBondContact O-CB 3.5Å; E306-S309 PolarHBondContact O-N 2.91Å; E306-S309 VanDerWaalsContact O-N 3.15Å; E306-Q310 WeakPolarHBondContact O-CG 3.35Å; E306-Q310 PolarHBondContact O-N 3.49Å; E306-Q310 PolarHBondContact OE1-NE2 3.4Å |
| 307 | L | 93.6 | Very high | 89.1 | Confident | 70 Ų | 70 | 107.5 Ų | 107.5 | 37% | 0.366 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.3 | -39.3 | 178.3 | -76.8 | 172.6 | 0 | 0 | 0 | 111.8 | R303 V304 S309 Q310 L311 | R303-L307 HydrophobicContact CG-CD1 4.08Å; R303-L307 HydrophobicContact CG-CG 4.42Å; R303-L307 WeakPolarHBondContact O-CB 3.36Å; R303-L307 VanDerWaalsContact O-CG 3.26Å; R303-L307 WeakPolarHBondContact O-CG 3.4Å; R303-L307 PolarHBondContact O-N 3.42Å; V304-L307 PolarHBondContact O-N 2.68Å; L307-S309 VanDerWaalsContact C-N 3.33Å; L307-Q310 PolarHBondContact O-N 3.21Å; L307-L311 WeakPolarHBondContact O-CB 3.49Å; L307-L311 WeakPolarHBondContact O-CG 3.41Å; L307-L311 PolarHBondContact O-N 2.63Å |
| 308 | E | 93.1 | Very high | 87.1 | Confident | 89 Ų | 89 | 108.2 Ų | 108.2 | 42% | 0.416 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.5 | -39 | 173.4 | -74.2 | -169.7 | 173.2 | 0 | 0 | 111.7 | V304 E306 L311 R312 | V304-E308 HydrophobicContact CG1-CG 4.33Å; V304-E308 WeakPolarHBondContact O-CB 3.37Å; V304-E308 VanDerWaalsContact O-CG 3.31Å; V304-E308 WeakPolarHBondContact O-CG 3.46Å; V304-E308 PolarHBondContact O-N 3.03Å; E306-E308 VanDerWaalsContact C-N 3.33Å; E306-E308 PolarHBondContact O-N 2.78Å; E308-L311 PolarHBondContact O-N 2.94Å; E308-R312 WeakPolarHBondContact O-CB 3.46Å; E308-R312 VanDerWaalsContact O-CG 3.26Å; E308-R312 WeakPolarHBondContact O-CG 3.44Å; E308-R312 PolarHBondContact O-N 3Å; E308-R312 PolarHBondContact O-NH1 3.44Å; E308-R312 IonicContact OE2-CZ 3.36Å; E308-R312 IonicContact OE2-NH1 2.72Å; E308-R312 IonicContact OE2-NH2 3.71Å; E308-R312 PolarHBondContact OE2-NH2 2.96Å |
| 309 | S | 91.4 | Very high | 85 | Confident | 69 Ų | 69 | 112.8 Ų | 112.8 | 48% | 0.483 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.7 | -47.6 | 173.2 | -171.9 | 0 | 0 | 0 | 0 | 111.3 | E305 E306 L307 L311 R312 E313 | E305-S309 WeakPolarHBondContact O-CB 3.34Å; E305-S309 PolarHBondContact O-N 3.26Å; E306-S309 WeakPolarHBondContact O-CB 3.5Å; E306-S309 PolarHBondContact O-N 2.91Å; E306-S309 VanDerWaalsContact O-N 3.15Å; L307-S309 VanDerWaalsContact C-N 3.33Å; S309-L311 PolarHBondContact O-N 3.43Å; S309-R312 WeakPolarHBondContact O-CB 3.36Å; S309-R312 PolarHBondContact O-N 2.9Å; S309-E313 PolarHBondContact O-N 3.49Å |
| 310 | Q | 91.8 | Very high | 82.6 | Confident | 79 Ų | 79 | 109.8 Ų | 109.8 | 37% | 0.369 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 176.6 | -70.8 | 176 | 10.4 | 0 | 0 | 112 | E306 L307 R312 E313 E314 | E306-Q310 WeakPolarHBondContact O-CG 3.35Å; E306-Q310 PolarHBondContact O-N 3.49Å; E306-Q310 PolarHBondContact OE1-NE2 3.4Å; L307-Q310 PolarHBondContact O-N 3.21Å; Q310-R312 VanDerWaalsContact C-N 3.33Å; Q310-R312 PolarHBondContact O-N 3.42Å; Q310-E313 PolarHBondContact O-N 3.03Å; Q310-E313 VanDerWaalsContact O-N 3.16Å; Q310-E314 PolarHBondContact O-N 3.03Å |
| 311 | L | 87.2 | Confident | 79.9 | Confident | 112 Ų | 112 | 111.1 Ų | 111.1 | 59% | 0.586 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.8 | -36.5 | 175.3 | -76.8 | 175.3 | 0 | 0 | 0 | 112.1 | L307 E308 S309 E313 R315 | L307-L311 WeakPolarHBondContact O-CB 3.49Å; L307-L311 WeakPolarHBondContact O-CG 3.41Å; L307-L311 PolarHBondContact O-N 2.63Å; E308-L311 PolarHBondContact O-N 2.94Å; S309-L311 PolarHBondContact O-N 3.43Å; L311-E313 VanDerWaalsContact C-N 3.34Å; L311-R315 WeakPolarHBondContact O-CB 3.26Å; L311-R315 VanDerWaalsContact O-CG 3.28Å; L311-R315 WeakPolarHBondContact O-CG 3.44Å; L311-R315 PolarHBondContact O-N 3.44Å |
| 312 | R | 85.7 | Confident | 77 | Confident | 142 Ų | 142 | 112 Ų | 112 | 54% | 0.536 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.8 | -36.7 | 172.4 | -72.5 | 176.3 | -162 | 105.7 | 3.3 | 111.4 | E308 S309 Q310 K316 | E308-R312 WeakPolarHBondContact O-CB 3.46Å; E308-R312 VanDerWaalsContact O-CG 3.26Å; E308-R312 WeakPolarHBondContact O-CG 3.44Å; E308-R312 PolarHBondContact O-N 3Å; E308-R312 PolarHBondContact O-NH1 3.44Å; E308-R312 IonicContact OE2-CZ 3.36Å; E308-R312 IonicContact OE2-NH1 2.72Å; E308-R312 IonicContact OE2-NH2 3.71Å; E308-R312 PolarHBondContact OE2-NH2 2.96Å; S309-R312 WeakPolarHBondContact O-CB 3.36Å; S309-R312 PolarHBondContact O-N 2.9Å; Q310-R312 VanDerWaalsContact C-N 3.33Å; Q310-R312 PolarHBondContact O-N 3.42Å; R312-K316 WeakPolarHBondContact O-CG 3.32Å; R312-K316 PolarHBondContact O-N 3.31Å |
| 313 | E | 83.4 | Confident | 74.4 | Confident | 97 Ų | 97 | 115.9 Ų | 115.9 | 45% | 0.453 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70.2 | -47.3 | 175.2 | -168.7 | -175.4 | 159.2 | 0 | 0 | 112.1 | S309 Q310 L311 R315 K316 R317 | S309-E313 PolarHBondContact O-N 3.49Å; Q310-E313 PolarHBondContact O-N 3.03Å; Q310-E313 VanDerWaalsContact O-N 3.16Å; L311-E313 VanDerWaalsContact C-N 3.34Å; E313-R315 VanDerWaalsContact C-N 3.31Å; E313-R315 PolarHBondContact O-N 2.82Å; E313-K316 CarbonylContact O-C 3.58Å; E313-K316 WeakPolarHBondContact O-CA 3.48Å; E313-K316 WeakPolarHBondContact O-CB 3.48Å; E313-K316 PolarHBondContact O-N 2.85Å; E313-R317 PolarHBondContact O-N 3.28Å; E313-R317 IonicContact OE1-CZ 3.41Å; E313-R317 IonicContact OE1-NE 3.1Å; E313-R317 PolarHBondContact OE1-NE 2.99Å; E313-R317 VanDerWaalsContact OE1-NE 3.1Å; E313-R317 IonicContact OE1-NH2 2.8Å; E313-R317 PolarHBondContact OE1-NH2 3.44Å |
| 314 | E | 75.6 | Confident | 71.7 | Confident | 92 Ų | 92 | 120 Ų | 120 | 43% | 0.43 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.1 | -39.3 | 177.1 | -85.3 | -67.1 | 146.2 | 0 | 0 | 111.7 | Q310 K316 R317 F318 | Q310-E314 PolarHBondContact O-N 3.03Å; E314-K316 VanDerWaalsContact C-N 3.26Å; E314-K316 PolarHBondContact O-N 3.06Å; E314-R317 CarbonylContact O-C 3.6Å; E314-R317 PolarHBondContact O-N 3.4Å; E314-R317 VanDerWaalsContact O-N 3.08Å; E314-F318 WeakPolarHBondContact O-CB 3.47Å; E314-F318 PolarHBondContact O-N 3Å |
| 315 | R | 75.9 | Confident | 69.1 | Low | 201 Ų | 201 | 126.8 Ų | 126.8 | 76% | 0.758 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -59.9 | -35.9 | 172.5 | -78.8 | 180 | 177.7 | -161.9 | 1.5 | 112.4 | L311 E313 | L311-R315 WeakPolarHBondContact O-CB 3.26Å; L311-R315 VanDerWaalsContact O-CG 3.28Å; L311-R315 WeakPolarHBondContact O-CG 3.44Å; L311-R315 PolarHBondContact O-N 3.44Å; E313-R315 VanDerWaalsContact C-N 3.31Å; E313-R315 PolarHBondContact O-N 2.82Å |
| 316 | K | 75.4 | Confident | 66.4 | Low | 164 Ų | 164 | 127.6 Ų | 127.6 | 71% | 0.713 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -72.1 | -34.3 | 173 | -67.5 | 172.8 | -177.7 | -179.6 | 0 | 112.3 | R312 E313 E314 | R312-K316 WeakPolarHBondContact O-CG 3.32Å; R312-K316 PolarHBondContact O-N 3.31Å; E313-K316 CarbonylContact O-C 3.58Å; E313-K316 WeakPolarHBondContact O-CA 3.48Å; E313-K316 WeakPolarHBondContact O-CB 3.48Å; E313-K316 PolarHBondContact O-N 2.85Å; E314-K316 VanDerWaalsContact C-N 3.26Å; E314-K316 PolarHBondContact O-N 3.06Å |
| 317 | R | 62.5 | Low | 64.3 | Low | 154 Ų | 154 | 127.3 Ų | 127.3 | 58% | 0.581 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72.8 | -30.7 | 175.4 | -68.9 | -169.6 | -177.2 | -117.8 | 3.7 | 112.9 | E313 E314 E319 A320 | E313-R317 PolarHBondContact O-N 3.28Å; E313-R317 IonicContact OE1-CZ 3.41Å; E313-R317 IonicContact OE1-NE 3.1Å; E313-R317 PolarHBondContact OE1-NE 2.99Å; E313-R317 VanDerWaalsContact OE1-NE 3.1Å; E313-R317 IonicContact OE1-NH2 2.8Å; E313-R317 PolarHBondContact OE1-NH2 3.44Å; E314-R317 CarbonylContact O-C 3.6Å; E314-R317 PolarHBondContact O-N 3.4Å; E314-R317 VanDerWaalsContact O-N 3.08Å; R317-E319 PolarHBondContact O-N 3.18Å; R317-A320 WeakPolarHBondContact O-CA 3.36Å; R317-A320 WeakPolarHBondContact O-CB 3.3Å; R317-A320 PolarHBondContact O-N 3.08Å |
| 318 | F | 52.9 | Low | 62.3 | Low | 163 Ų | 163 | 131.7 Ų | 131.7 | 72% | 0.715 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -73.1 | -16.6 | 178.3 | -141.3 | -91.2 | 0 | 0 | 0 | 112.8 | E314 A320 | E314-F318 WeakPolarHBondContact O-CB 3.47Å; E314-F318 PolarHBondContact O-N 3Å; F318-A320 PolarHBondContact O-N 2.91Å |
| 319 | E | 50.7 | Low | 60.3 | Low | 174 Ų | 174 | 133.4 Ų | 133.4 | 81% | 0.813 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -6.1 | 162.7 | -69.1 | -169.7 | 171.4 | 0 | 0 | 112.7 | R317 | R317-E319 PolarHBondContact O-N 3.18Š|
| 320 | A | 44.8 | Very low | 58.6 | Low | 65 Ų | 65 | 140.5 Ų | 140.5 | 54% | 0.537 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -88.9 | 125.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | R317 F318 | R317-A320 WeakPolarHBondContact O-CA 3.36Å; R317-A320 WeakPolarHBondContact O-CB 3.3Å; R317-A320 PolarHBondContact O-N 3.08Å; F318-A320 PolarHBondContact O-N 2.91Å |
| 321 | P | 37.9 | Very low | 57 | Low | 128 Ų | 128 | 140 Ų | 140 | 83% | 0.831 | 67% | 0.673 | S | S | * | * | trans | -71.2 | 136 | -174.5 | -18 | 30.8 | 0 | 0 | 0 | 114.3 | ||||
| 322 | A | 36.6 | Very low | 55.9 | Low | 85 Ų | 85 | 139.1 Ų | 139.1 | 70% | 0.702 | 67% | 0.668 | S | S | * | * | trans | 96.5 | 147.2 | 140.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 323 | T | 41 | Very low | 54.9 | Low | 136 Ų | 136 | 137.3 Ų | 137.3 | 83% | 0.834 | 67% | 0.668 | S | S | * | * | trans | 92 | 75.7 | 163.5 | 73.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 324 | R | 39.5 | Very low | 54.2 | Low | 198 Ų | 198 | 135.1 Ų | 135.1 | 75% | 0.747 | 67% | 0.667 | S | S | * | * | trans | -142.8 | 95.8 | 159.1 | -70 | -171.3 | -174.7 | 171.8 | 4.8 | 111.1 | ||||
| 325 | Y | 40.7 | Very low | 54.3 | Low | 216 Ų | 216 | 135 Ų | 135 | 85% | 0.847 | 67% | 0.668 | S | S | * | * | trans | -148.4 | 70.7 | 162.7 | -144.9 | -83.8 | 0 | 0 | 0 | 109.4 | ||||
| 326 | D | 39.5 | Very low | 54.4 | Low | 155 Ų | 155 | 128.7 Ų | 128.7 | 83% | 0.829 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -166 | -5.9 | 160.4 | -100.8 | -29.1 | 0 | 0 | 0 | 114.7 | K328 | D326-K328 VanDerWaalsContact C-N 3.34Å; D326-K328 PolarHBondContact O-N 3.32Å |
| 327 | S | 51.8 | Low | 54.8 | Low | 85 Ų | 85 | 125.5 Ų | 125.5 | 59% | 0.594 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -16.5 | -179.5 | -53.9 | 0 | 0 | 0 | 0 | 115.7 | N329 T331 | S327-N329 PolarHBondContact O-N 2.88Å; S327-T331 PolarHBondContact O-OG1 3.47Å; S327-T331 VanDerWaalsContact O-OG1 3.13Å |
| 328 | K | 50.8 | Low | 55.8 | Low | 161 Ų | 161 | 123.3 Ų | 123.3 | 70% | 0.7 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -74.8 | -26.7 | -166.7 | -71.3 | -176.5 | 177.6 | 178.5 | 0 | 114.8 | D326 T331 N332 | D326-K328 VanDerWaalsContact C-N 3.34Å; D326-K328 PolarHBondContact O-N 3.32Å; K328-T331 PolarHBondContact O-OG1 3.4Å; K328-N332 PolarHBondContact O-N 3.45Å; K328-N332 PolarHBondContact O-ND2 3.5Å |
| 329 | N | 51.6 | Low | 57.4 | Low | 125 Ų | 125 | 120.2 Ų | 120.2 | 67% | 0.668 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -83.1 | -31.2 | -174.6 | -141.8 | 39.5 | 0 | 0 | 0 | 112.9 | S327 | S327-N329 PolarHBondContact O-N 2.88Å |
| 330 | R | 54.6 | Low | 59.2 | Low | 218 Ų | 218 | 117.6 Ų | 117.6 | 82% | 0.823 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -73.4 | -38.3 | 176.4 | -125.7 | -179 | -170.7 | -167.8 | 2.4 | 112.2 | I333 A334 | R330-I333 PolarHBondContact O-N 2.9Å; R330-A334 PolarHBondContact O-N 3.41Å |
| 331 | T | 59.2 | Low | 61.3 | Low | 69 Ų | 69 | 121 Ų | 121 | 42% | 0.423 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.8 | -38.5 | 177.8 | 47.1 | 0 | 0 | 0 | 0 | 112 | S327 K328 I333 A334 I335 | S327-T331 PolarHBondContact O-OG1 3.47Å; S327-T331 VanDerWaalsContact O-OG1 3.13Å; K328-T331 PolarHBondContact O-OG1 3.4Å; T331-I333 PolarHBondContact O-N 2.92Å; T331-A334 PolarHBondContact O-N 3.12Å; T331-I335 WeakPolarHBondContact O-CB 3.38Å; T331-I335 WeakPolarHBondContact O-CD1 3.41Å; T331-I335 WeakPolarHBondContact O-CG1 3.29Å; T331-I335 PolarHBondContact O-N 3.5Å |
| 332 | N | 62.9 | Low | 63.9 | Low | 93 Ų | 93 | 121.1 Ų | 121.1 | 50% | 0.497 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.2 | -41.3 | 179.1 | -74.6 | -14.9 | 0 | 0 | 0 | 112.3 | K328 I335 T336 | K328-N332 PolarHBondContact O-N 3.45Å; K328-N332 PolarHBondContact O-ND2 3.5Å; N332-I335 PolarHBondContact O-N 3.28Å; N332-T336 VanDerWaalsContact O-CG2 3.24Å; N332-T336 WeakPolarHBondContact O-CG2 3.45Å; N332-T336 PolarHBondContact O-N 2.99Å; N332-T336 PolarHBondContact O-OG1 3.28Å |
| 333 | I | 65.1 | Low | 66.5 | Low | 104 Ų | 104 | 123 Ų | 123 | 53% | 0.533 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.4 | -45.8 | 177.5 | -62.8 | 170.4 | 0 | 0 | 0 | 110.5 | R330 T331 I335 T336 E337 | R330-I333 PolarHBondContact O-N 2.9Å; T331-I333 PolarHBondContact O-N 2.92Å; I333-I335 PolarHBondContact O-N 3.18Å; I333-T336 WeakPolarHBondContact CA-OG1 3.3Å; I333-T336 PolarHBondContact O-N 3.43Å; I333-T336 PolarHBondContact O-OG1 3.4Å; I333-E337 PolarHBondContact O-N 3.07Å |
| 334 | A | 70.1 | Confident | 69 | Low | 51 Ų | 51 | 121 Ų | 121 | 42% | 0.421 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -58.7 | -49.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R330 T331 T336 E337 D338 | R330-A334 PolarHBondContact O-N 3.41Å; T331-A334 PolarHBondContact O-N 3.12Å; A334-T336 VanDerWaalsContact C-N 3.28Å; A334-T336 PolarHBondContact O-N 3.37Å; A334-E337 PolarHBondContact O-N 2.95Å; A334-E337 VanDerWaalsContact O-N 3.11Å; A334-D338 PolarHBondContact O-N 3.02Å |
| 335 | I | 76 | Confident | 71.5 | Confident | 89 Ų | 89 | 117.3 Ų | 117.3 | 46% | 0.456 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -59.2 | -40.4 | 177.9 | -66.8 | 163.1 | 0 | 0 | 0 | 111.1 | T331 N332 I333 E337 D338 I339 | T331-I335 WeakPolarHBondContact O-CB 3.38Å; T331-I335 WeakPolarHBondContact O-CD1 3.41Å; T331-I335 WeakPolarHBondContact O-CG1 3.29Å; T331-I335 PolarHBondContact O-N 3.5Å; N332-I335 PolarHBondContact O-N 3.28Å; I333-I335 PolarHBondContact O-N 3.18Å; I335-E337 PolarHBondContact O-N 2.86Å; I335-D338 PolarHBondContact O-N 3.32Å; I335-I339 HydrophobicContact CG2-CD1 3.8Å; I335-I339 HydrophobicContact CG2-CG1 4.47Å; I335-I339 VanDerWaalsContact O-CG1 3.26Å; I335-I339 WeakPolarHBondContact O-CG1 3.41Å; I335-I339 PolarHBondContact O-N 2.86Å; I335-I339 VanDerWaalsContact O-N 3.07Å |
| 336 | T | 79.3 | Confident | 74.1 | Confident | 69 Ų | 69 | 110.3 Ų | 110.3 | 42% | 0.423 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.4 | -32.2 | 178.4 | 56.5 | 0 | 0 | 0 | 0 | 113.4 | N332 I333 A334 K340 | N332-T336 VanDerWaalsContact O-CG2 3.24Å; N332-T336 WeakPolarHBondContact O-CG2 3.45Å; N332-T336 PolarHBondContact O-N 2.99Å; N332-T336 PolarHBondContact O-OG1 3.28Å; I333-T336 WeakPolarHBondContact CA-OG1 3.3Å; I333-T336 PolarHBondContact O-N 3.43Å; I333-T336 PolarHBondContact O-OG1 3.4Å; A334-T336 VanDerWaalsContact C-N 3.28Å; A334-T336 PolarHBondContact O-N 3.37Å; T336-K340 VanDerWaalsContact O-CG 3.28Å; T336-K340 WeakPolarHBondContact O-CG 3.23Å; T336-K340 PolarHBondContact O-N 2.95Å |
| 337 | E | 83.7 | Confident | 76.7 | Confident | 98 Ų | 98 | 110.5 Ų | 110.5 | 46% | 0.458 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -74.7 | -38.6 | 175.8 | -69.8 | -59 | 126.9 | 0 | 0 | 111.5 | I333 A334 I335 K340 H341 | I333-E337 PolarHBondContact O-N 3.07Å; A334-E337 PolarHBondContact O-N 2.95Å; A334-E337 VanDerWaalsContact O-N 3.11Å; I335-E337 PolarHBondContact O-N 2.86Å; E337-K340 WeakPolarHBondContact O-CB 3.48Å; E337-K340 PolarHBondContact O-N 3.37Å; E337-K340 IonicContact OE1-NZ 2.73Å; E337-K340 PolarHBondContact OE1-NZ 3.35Å; E337-H341 PolarHBondContact O-N 2.97Å |
| 338 | D | 83.5 | Confident | 78.7 | Confident | 108 Ų | 108 | 109.8 Ų | 109.8 | 58% | 0.578 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.1 | -45.3 | 176.2 | -67.2 | -20.4 | 0 | 0 | 0 | 111.7 | A334 I335 K340 H341 E342 | A334-D338 PolarHBondContact O-N 3.02Å; I335-D338 PolarHBondContact O-N 3.32Å; D338-K340 VanDerWaalsContact C-N 3.29Å; D338-K340 PolarHBondContact O-N 2.91Å; D338-H341 PolarHBondContact O-N 2.95Å; D338-H341 VanDerWaalsContact O-N 3.12Å; D338-E342 PolarHBondContact O-N 3.32Å |
| 339 | I | 85.3 | Confident | 80.8 | Confident | 98 Ų | 98 | 106.2 Ų | 106.2 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.3 | -38.8 | 175.8 | -68.4 | 167.2 | 0 | 0 | 0 | 111.2 | I335 L343 | I335-I339 HydrophobicContact CG2-CD1 3.8Å; I335-I339 HydrophobicContact CG2-CG1 4.47Å; I335-I339 VanDerWaalsContact O-CG1 3.26Å; I335-I339 WeakPolarHBondContact O-CG1 3.41Å; I335-I339 PolarHBondContact O-N 2.86Å; I335-I339 VanDerWaalsContact O-N 3.07Å; I339-L343 WeakPolarHBondContact O-CB 3.47Å; I339-L343 PolarHBondContact O-N 2.7Å |
| 340 | K | 89.6 | Confident | 82.8 | Confident | 118 Ų | 118 | 103 Ų | 103 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 175.8 | -74.4 | 172 | -171 | 171.2 | 0 | 111.5 | T336 E337 D338 Q344 | T336-K340 VanDerWaalsContact O-CG 3.28Å; T336-K340 WeakPolarHBondContact O-CG 3.23Å; T336-K340 PolarHBondContact O-N 2.95Å; E337-K340 WeakPolarHBondContact O-CB 3.48Å; E337-K340 PolarHBondContact O-N 3.37Å; E337-K340 IonicContact OE1-NZ 2.73Å; E337-K340 PolarHBondContact OE1-NZ 3.35Å; D338-K340 VanDerWaalsContact C-N 3.29Å; D338-K340 PolarHBondContact O-N 2.91Å; K340-Q344 VanDerWaalsContact O-CB 3.3Å; K340-Q344 WeakPolarHBondContact O-CB 3.32Å; K340-Q344 PolarHBondContact O-N 3.42Å |
| 341 | H | 89.1 | Confident | 84.8 | Confident | 136 Ų | 136 | 97.8 Ų | 97.8 | 63% | 0.63 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.8 | -45.5 | 178.7 | -174 | -84 | 0 | 0 | 0 | 111.5 | E337 D338 Q344 Q345 | E337-H341 PolarHBondContact O-N 2.97Å; D338-H341 PolarHBondContact O-N 2.95Å; D338-H341 VanDerWaalsContact O-N 3.12Å; H341-Q344 PolarHBondContact O-N 3.05Å; H341-Q345 WeakPolarHBondContact O-CB 3.37Å; H341-Q345 PolarHBondContact O-N 2.9Å |
| 342 | E | 91.3 | Very high | 86.6 | Confident | 131 Ų | 131 | 100 Ų | 100 | 61% | 0.612 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.4 | -44 | 176.4 | -170.3 | 179.7 | 178.5 | 0 | 0 | 111.7 | D338 Q344 Q345 S346 | D338-E342 PolarHBondContact O-N 3.32Å; E342-Q344 VanDerWaalsContact C-N 3.29Å; E342-Q344 PolarHBondContact O-N 3.3Å; E342-Q345 PolarHBondContact O-N 2.96Å; E342-S346 WeakPolarHBondContact O-CB 3.39Å; E342-S346 PolarHBondContact O-N 2.91Å |
| 343 | L | 92.3 | Very high | 88.2 | Confident | 124 Ų | 124 | 101.9 Ų | 101.9 | 65% | 0.649 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.3 | -41.1 | 173.9 | -178.6 | 65.8 | 0 | 0 | 0 | 111.7 | I339 R347 | I339-L343 WeakPolarHBondContact O-CB 3.47Å; I339-L343 PolarHBondContact O-N 2.7Å; L343-R347 VanDerWaalsContact O-CB 3.28Å; L343-R347 WeakPolarHBondContact O-CB 3.35Å; L343-R347 PolarHBondContact O-N 3.12Å |
| 344 | Q | 93.2 | Very high | 89.8 | Confident | 96 Ų | 96 | 104.5 Ų | 104.5 | 45% | 0.449 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.3 | -40.2 | 176.9 | -175.5 | 61.6 | 33.3 | 0 | 0 | 112 | K340 H341 E342 R347 N348 | K340-Q344 VanDerWaalsContact O-CB 3.3Å; K340-Q344 WeakPolarHBondContact O-CB 3.32Å; K340-Q344 PolarHBondContact O-N 3.42Å; H341-Q344 PolarHBondContact O-N 3.05Å; E342-Q344 VanDerWaalsContact C-N 3.29Å; E342-Q344 PolarHBondContact O-N 3.3Å; Q344-R347 WeakPolarHBondContact O-CB 3.4Å; Q344-R347 PolarHBondContact O-N 2.89Å; Q344-N348 PolarHBondContact NE2-OD1 3.17Å; Q344-N348 VanDerWaalsContact NE2-OD1 3.07Å; Q344-N348 PolarHBondContact O-N 2.89Å; Q344-N348 PolarHBondContact O-ND2 3.27Å; Q344-N348 PolarHBondContact O-OD1 2.92Å |
| 345 | Q | 92.6 | Very high | 91.1 | Very high | 119 Ų | 119 | 107.8 Ų | 107.8 | 56% | 0.556 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.9 | -48.1 | 175.5 | -175.8 | -176.5 | 40.2 | 0 | 0 | 111.1 | H341 E342 R347 N348 Q349 | H341-Q345 WeakPolarHBondContact O-CB 3.37Å; H341-Q345 PolarHBondContact O-N 2.9Å; E342-Q345 PolarHBondContact O-N 2.96Å; Q345-R347 VanDerWaalsContact C-N 3.29Å; Q345-R347 PolarHBondContact O-N 3.33Å; Q345-N348 PolarHBondContact O-N 3.06Å; Q345-N348 VanDerWaalsContact O-N 3.16Å; Q345-Q349 WeakPolarHBondContact O-CB 3.48Å; Q345-Q349 PolarHBondContact O-N 3.02Å |
| 346 | S | 93.7 | Very high | 92.1 | Very high | 69 Ų | 69 | 108.8 Ų | 108.8 | 48% | 0.483 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.6 | -39.5 | 176 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | E342 Q349 A350 | E342-S346 WeakPolarHBondContact O-CB 3.39Å; E342-S346 PolarHBondContact O-N 2.91Å; S346-Q349 PolarHBondContact O-N 3.2Å; S346-A350 WeakPolarHBondContact O-CB 3.41Å; S346-A350 PolarHBondContact O-N 3.09Å |
| 347 | R | 94.6 | Very high | 93 | Very high | 159 Ų | 159 | 112.2 Ų | 112.2 | 60% | 0.6 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.1 | -43.7 | 173.8 | -172.7 | -178 | -176.8 | 101.4 | -0.5 | 112.2 | L343 Q344 Q345 Q351 | L343-R347 VanDerWaalsContact O-CB 3.28Å; L343-R347 WeakPolarHBondContact O-CB 3.35Å; L343-R347 PolarHBondContact O-N 3.12Å; Q344-R347 WeakPolarHBondContact O-CB 3.4Å; Q344-R347 PolarHBondContact O-N 2.89Å; Q345-R347 VanDerWaalsContact C-N 3.29Å; Q345-R347 PolarHBondContact O-N 3.33Å; R347-Q351 WeakPolarHBondContact O-CG 3.45Å; R347-Q351 PolarHBondContact O-N 3.03Å; R347-Q351 VanDerWaalsContact O-N 3.15Å |
| 348 | N | 94.2 | Very high | 93.6 | Very high | 71 Ų | 71 | 113.7 Ų | 113.7 | 38% | 0.38 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 176.6 | -68.3 | -16.1 | 0 | 0 | 0 | 110.9 | Q344 Q345 A350 Q351 E352 | Q344-N348 PolarHBondContact NE2-OD1 3.17Å; Q344-N348 VanDerWaalsContact NE2-OD1 3.07Å; Q344-N348 PolarHBondContact O-N 2.89Å; Q344-N348 PolarHBondContact O-ND2 3.27Å; Q344-N348 PolarHBondContact O-OD1 2.92Å; Q345-N348 PolarHBondContact O-N 3.06Å; Q345-N348 VanDerWaalsContact O-N 3.16Å; N348-A350 VanDerWaalsContact C-N 3.35Å; N348-A350 PolarHBondContact O-N 3.41Å; N348-Q351 WeakPolarHBondContact O-CB 3.37Å; N348-Q351 PolarHBondContact O-N 3.46Å; N348-Q351 VanDerWaalsContact O-N 3.08Å; N348-E352 PolarHBondContact O-N 2.96Å |
| 349 | Q | 94.8 | Very high | 94.3 | Very high | 86 Ų | 86 | 114.6 Ų | 114.6 | 40% | 0.402 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 177.8 | -171.1 | -178.9 | 5.2 | 0 | 0 | 111.9 | Q345 S346 Q351 E352 Y353 | Q345-Q349 WeakPolarHBondContact O-CB 3.48Å; Q345-Q349 PolarHBondContact O-N 3.02Å; S346-Q349 PolarHBondContact O-N 3.2Å; Q349-Q351 VanDerWaalsContact C-N 3.28Å; Q349-Q351 PolarHBondContact O-N 3.1Å; Q349-E352 PolarHBondContact O-N 3.49Å; Q349-Y353 HydrophobicContact CG-CD2 3.95Å; Q349-Y353 HydrophobicContact CG-CE2 3.46Å; Q349-Y353 VanDerWaalsContact CG-CE2 3.46Å; Q349-Y353 PolarHBondContact NE2-OH 3.16Å; Q349-Y353 VanDerWaalsContact NE2-OH 3.14Å; Q349-Y353 VanDerWaalsContact O-CD2 3.29Å; Q349-Y353 WeakPolarHBondContact O-CD2 3.25Å; Q349-Y353 PolarHBondContact O-N 3.11Å |
| 350 | A | 94.7 | Very high | 94.8 | Very high | 58 Ų | 58 | 113 Ų | 113 | 48% | 0.479 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.9 | -34.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S346 N348 K354 | S346-A350 WeakPolarHBondContact O-CB 3.41Å; S346-A350 PolarHBondContact O-N 3.09Å; N348-A350 VanDerWaalsContact C-N 3.35Å; N348-A350 PolarHBondContact O-N 3.41Å; A350-K354 WeakPolarHBondContact O-CB 3.44Å; A350-K354 PolarHBondContact O-N 3.46Å |
| 351 | Q | 96.3 | Very high | 95.2 | Very high | 107 Ų | 107 | 109.5 Ų | 109.5 | 50% | 0.5 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.5 | -40.1 | 174.6 | -70.9 | 173.2 | 3.7 | 0 | 0 | 112.1 | R347 N348 Q349 K354 L355 | R347-Q351 WeakPolarHBondContact O-CG 3.45Å; R347-Q351 PolarHBondContact O-N 3.03Å; R347-Q351 VanDerWaalsContact O-N 3.15Å; N348-Q351 WeakPolarHBondContact O-CB 3.37Å; N348-Q351 PolarHBondContact O-N 3.46Å; N348-Q351 VanDerWaalsContact O-N 3.08Å; Q349-Q351 VanDerWaalsContact C-N 3.28Å; Q349-Q351 PolarHBondContact O-N 3.1Å; Q351-K354 WeakPolarHBondContact O-CB 3.44Å; Q351-K354 PolarHBondContact O-N 2.88Å; Q351-L355 PolarHBondContact O-N 3.49Å |
| 352 | E | 96.2 | Very high | 95.6 | Very high | 115 Ų | 115 | 109.8 Ų | 109.8 | 54% | 0.537 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 174.7 | -70.4 | -175.8 | -178.4 | 0 | 0 | 112.2 | N348 Q349 K354 L355 K356 | N348-E352 PolarHBondContact O-N 2.96Å; Q349-E352 PolarHBondContact O-N 3.49Å; E352-K354 VanDerWaalsContact C-N 3.29Å; E352-K354 PolarHBondContact O-N 3.36Å; E352-L355 PolarHBondContact O-N 3.04Å; E352-K356 WeakPolarHBondContact O-CG 3.39Å; E352-K356 PolarHBondContact O-N 2.94Å |
| 353 | Y | 96.7 | Very high | 95.9 | Very high | 133 Ų | 133 | 109.7 Ų | 109.7 | 52% | 0.522 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.2 | -37.1 | 175.7 | -71.9 | -49 | 0 | 0 | 0 | 112 | Q349 L355 K356 F357 | Q349-Y353 HydrophobicContact CG-CD2 3.95Å; Q349-Y353 HydrophobicContact CG-CE2 3.46Å; Q349-Y353 VanDerWaalsContact CG-CE2 3.46Å; Q349-Y353 PolarHBondContact NE2-OH 3.16Å; Q349-Y353 VanDerWaalsContact NE2-OH 3.14Å; Q349-Y353 VanDerWaalsContact O-CD2 3.29Å; Q349-Y353 WeakPolarHBondContact O-CD2 3.25Å; Q349-Y353 PolarHBondContact O-N 3.11Å; Y353-L355 VanDerWaalsContact C-N 3.32Å; Y353-L355 PolarHBondContact O-N 3.46Å; Y353-K356 PolarHBondContact O-N 3.47Å; Y353-F357 VanDerWaalsContact O-CB 3.22Å; Y353-F357 WeakPolarHBondContact O-CB 3.24Å; Y353-F357 PolarHBondContact O-N 2.87Å |
| 354 | K | 98 | Very high | 96.2 | Very high | 160 Ų | 160 | 108 Ų | 108 | 70% | 0.696 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.3 | -40.1 | 173.9 | -174 | -179.3 | 178.4 | -177.3 | 0 | 112 | A350 Q351 E352 H358 | A350-K354 WeakPolarHBondContact O-CB 3.44Å; A350-K354 PolarHBondContact O-N 3.46Å; Q351-K354 WeakPolarHBondContact O-CB 3.44Å; Q351-K354 PolarHBondContact O-N 2.88Å; E352-K354 VanDerWaalsContact C-N 3.29Å; E352-K354 PolarHBondContact O-N 3.36Å; K354-H358 PolarHBondContact O-N 2.95Å; K354-H358 VanDerWaalsContact O-N 3.11Å |
| 355 | L | 97.2 | Very high | 96.4 | Very high | 120 Ų | 120 | 106.8 Ų | 106.8 | 63% | 0.628 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.2 | -49.3 | 176.6 | -177.2 | 68.2 | 0 | 0 | 0 | 111.6 | Q351 E352 Y353 F357 H358 E359 | Q351-L355 PolarHBondContact O-N 3.49Å; E352-L355 PolarHBondContact O-N 3.04Å; Y353-L355 VanDerWaalsContact C-N 3.32Å; Y353-L355 PolarHBondContact O-N 3.46Å; L355-F357 VanDerWaalsContact C-N 3.28Å; L355-F357 PolarHBondContact O-N 2.94Å; L355-H358 WeakPolarHBondContact O-CB 3.34Å; L355-H358 PolarHBondContact O-N 3.18Å; L355-H358 VanDerWaalsContact O-N 3.07Å; L355-E359 PolarHBondContact O-N 3.4Å |
| 356 | K | 97.3 | Very high | 96.7 | Very high | 109 Ų | 109 | 103.3 Ų | 103.3 | 47% | 0.474 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.5 | -39.7 | 177.7 | -71.8 | 175.2 | -179.6 | 171.3 | 0 | 112.2 | E352 Y353 E359 S360 | E352-K356 WeakPolarHBondContact O-CG 3.39Å; E352-K356 PolarHBondContact O-N 2.94Å; Y353-K356 PolarHBondContact O-N 3.47Å; K356-E359 PolarHBondContact O-N 3.32Å; K356-S360 WeakPolarHBondContact O-CB 3.38Å; K356-S360 PolarHBondContact O-N 3.35Å; K356-S360 PolarHBondContact O-OG 2.91Å |
| 357 | F | 97.7 | Very high | 96.9 | Very high | 141 Ų | 141 | 104 Ų | 104 | 62% | 0.618 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61 | -45.7 | 173.7 | 178.6 | -98.8 | 0 | 0 | 0 | 111.4 | Y353 L355 S360 C361 | Y353-F357 VanDerWaalsContact O-CB 3.22Å; Y353-F357 WeakPolarHBondContact O-CB 3.24Å; Y353-F357 PolarHBondContact O-N 2.87Å; L355-F357 VanDerWaalsContact C-N 3.28Å; L355-F357 PolarHBondContact O-N 2.94Å; F357-S360 PolarHBondContact O-N 2.92Å; F357-C361 VanDerWaalsContact CZ-SG 3.6Å; F357-C361 WeakPolarHBondContact O-CB 3.29Å; F357-C361 PolarHBondContact O-N 3.36Å; F357-C361 PolarHBondContact O-SG 3.03Å |
| 358 | H | 98.1 | Very high | 97.1 | Very high | 130 Ų | 130 | 101.5 Ų | 101.5 | 60% | 0.602 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.9 | -42.1 | 178.2 | -169.2 | 56.2 | 0 | 0 | 0 | 112.8 | K354 L355 S360 C361 Q362 | K354-H358 PolarHBondContact O-N 2.95Å; K354-H358 VanDerWaalsContact O-N 3.11Å; L355-H358 WeakPolarHBondContact O-CB 3.34Å; L355-H358 PolarHBondContact O-N 3.18Å; L355-H358 VanDerWaalsContact O-N 3.07Å; H358-S360 VanDerWaalsContact C-N 3.35Å; H358-C361 PolarHBondContact O-N 3.13Å; H358-Q362 PolarHBondContact O-N 2.99Å |
| 359 | E | 97.7 | Very high | 97.2 | Very high | 126 Ų | 126 | 101.7 Ų | 101.7 | 59% | 0.589 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.5 | -44.3 | 174.3 | -175.8 | 176.9 | -167.4 | 0 | 0 | 111.6 | L355 K356 Q362 K363 | L355-E359 PolarHBondContact O-N 3.4Å; K356-E359 PolarHBondContact O-N 3.32Å; E359-Q362 PolarHBondContact O-N 3.18Å; E359-K363 PolarHBondContact O-N 2.78Å |
| 360 | S | 96.3 | Very high | 97.4 | Very high | 65 Ų | 65 | 100.3 Ų | 100.3 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65 | -42 | 177.5 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | K356 F357 H358 Q362 K363 I364 | K356-S360 WeakPolarHBondContact O-CB 3.38Å; K356-S360 PolarHBondContact O-N 3.35Å; K356-S360 PolarHBondContact O-OG 2.91Å; F357-S360 PolarHBondContact O-N 2.92Å; H358-S360 VanDerWaalsContact C-N 3.35Å; S360-Q362 PolarHBondContact O-N 3.04Å; S360-K363 PolarHBondContact O-N 3.29Å; S360-I364 WeakPolarHBondContact O-CG1 3.3Å; S360-I364 PolarHBondContact O-N 2.92Å |
| 361 | C | 97.8 | Very high | 97.5 | Very high | 45 Ų | 45 | 101.7 Ų | 101.7 | 30% | 0.304 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 173.7 | -74.1 | 0 | 0 | 0 | 0 | 112.4 | F357 H358 K363 I364 S365 | F357-C361 VanDerWaalsContact CZ-SG 3.6Å; F357-C361 WeakPolarHBondContact O-CB 3.29Å; F357-C361 PolarHBondContact O-N 3.36Å; F357-C361 PolarHBondContact O-SG 3.03Å; H358-C361 PolarHBondContact O-N 3.13Å; C361-K363 VanDerWaalsContact C-N 3.33Å; C361-K363 PolarHBondContact O-N 3.15Å; C361-I364 PolarHBondContact O-N 3.39Å; C361-S365 PolarHBondContact O-N 3.49Å; C361-S365 PolarHBondContact O-OG 3.34Å |
| 362 | Q | 97.4 | Very high | 97.6 | Very high | 142 Ų | 142 | 101.2 Ų | 101.2 | 66% | 0.664 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.9 | -40.9 | 176.4 | -173.9 | -179.6 | 48.7 | 0 | 0 | 111.5 | H358 E359 S360 S365 A366 | H358-Q362 PolarHBondContact O-N 2.99Å; E359-Q362 PolarHBondContact O-N 3.18Å; S360-Q362 PolarHBondContact O-N 3.04Å; Q362-S365 PolarHBondContact O-N 3Å; Q362-A366 PolarHBondContact O-N 2.7Å |
| 363 | K | 97.9 | Very high | 97.7 | Very high | 129 Ų | 129 | 102 Ų | 102 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.2 | -41.5 | 176.5 | -177.1 | 58.7 | 177.9 | 177 | 0 | 112 | E359 S360 C361 A366 L367 | E359-K363 PolarHBondContact O-N 2.78Å; S360-K363 PolarHBondContact O-N 3.29Å; C361-K363 VanDerWaalsContact C-N 3.33Å; C361-K363 PolarHBondContact O-N 3.15Å; K363-A366 PolarHBondContact O-N 3.4Å; K363-L367 HydrophobicContact CG-CD1 4.36Å; K363-L367 WeakPolarHBondContact O-CG 3.3Å; K363-L367 PolarHBondContact O-N 2.82Å |
| 364 | I | 97.2 | Very high | 97.8 | Very high | 88 Ų | 88 | 100 Ų | 100 | 45% | 0.451 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.8 | -49.9 | 174.8 | -71.5 | 167 | 0 | 0 | 0 | 110 | S360 C361 A366 L367 E368 | S360-I364 WeakPolarHBondContact O-CG1 3.3Å; S360-I364 PolarHBondContact O-N 2.92Å; C361-I364 PolarHBondContact O-N 3.39Å; I364-A366 VanDerWaalsContact C-N 3.28Å; I364-A366 PolarHBondContact O-N 2.96Å; I364-L367 PolarHBondContact O-N 3.38Å; I364-L367 VanDerWaalsContact O-N 3.11Å; I364-E368 HydrophobicContact CG2-CG 4.22Å; I364-E368 WeakPolarHBondContact CG2-OE1 3.43Å; I364-E368 WeakPolarHBondContact O-CG 3.43Å; I364-E368 PolarHBondContact O-N 2.99Å |
| 365 | S | 98.2 | Very high | 97.8 | Very high | 70 Ų | 70 | 97.3 Ų | 97.3 | 49% | 0.49 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61 | -33.8 | 178.4 | -61.1 | 0 | 0 | 0 | 0 | 113.7 | C361 Q362 S369 | C361-S365 PolarHBondContact O-N 3.49Å; C361-S365 PolarHBondContact O-OG 3.34Å; Q362-S365 PolarHBondContact O-N 3Å; S365-S369 PolarHBondContact O-N 3.45Å; S365-S369 VanDerWaalsContact O-N 3.15Å |
| 366 | A | 98 | Very high | 97.8 | Very high | 47 Ų | 47 | 93.1 Ų | 93.1 | 39% | 0.388 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.4 | -44.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | Q362 K363 I364 S369 D370 | Q362-A366 PolarHBondContact O-N 2.7Å; K363-A366 PolarHBondContact O-N 3.4Å; I364-A366 VanDerWaalsContact C-N 3.28Å; I364-A366 PolarHBondContact O-N 2.96Å; A366-S369 PolarHBondContact O-N 3.23Å; A366-D370 PolarHBondContact O-N 3.24Å |
| 367 | L | 98.4 | Very high | 97.9 | Very high | 83 Ų | 83 | 91.8 Ų | 91.8 | 44% | 0.435 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 176.8 | -70.5 | 173.3 | 0 | 0 | 0 | 111.8 | K363 I364 S369 D370 I371 | K363-L367 HydrophobicContact CG-CD1 4.36Å; K363-L367 WeakPolarHBondContact O-CG 3.3Å; K363-L367 PolarHBondContact O-N 2.82Å; I364-L367 PolarHBondContact O-N 3.38Å; I364-L367 VanDerWaalsContact O-N 3.11Å; L367-S369 VanDerWaalsContact C-N 3.32Å; L367-S369 PolarHBondContact O-N 2.89Å; L367-D370 PolarHBondContact O-N 3.44Å; L367-D370 VanDerWaalsContact O-N 3.16Å; L367-I371 VanDerWaalsContact O-CG1 3.29Å; L367-I371 WeakPolarHBondContact O-CG1 3.36Å; L367-I371 PolarHBondContact O-N 3.29Å |
| 368 | E | 98.5 | Very high | 97.8 | Very high | 107 Ų | 107 | 89.5 Ų | 89.5 | 50% | 0.5 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.6 | -42.7 | 174.2 | -72.5 | 171.2 | 162.8 | 0 | 0 | 111.6 | I364 I371 V372 | I364-E368 HydrophobicContact CG2-CG 4.22Å; I364-E368 WeakPolarHBondContact CG2-OE1 3.43Å; I364-E368 WeakPolarHBondContact O-CG 3.43Å; I364-E368 PolarHBondContact O-N 2.99Å; E368-I371 PolarHBondContact O-N 3.48Å; E368-V372 WeakPolarHBondContact O-CG2 3.44Å; E368-V372 PolarHBondContact O-N 3.48Å; E368-V372 VanDerWaalsContact O-N 3.15Å |
| 369 | S | 97.4 | Very high | 97.8 | Very high | 74 Ų | 74 | 90.4 Ų | 90.4 | 52% | 0.517 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 174.6 | -177.2 | 0 | 0 | 0 | 0 | 112.8 | S365 A366 L367 R373 | S365-S369 PolarHBondContact O-N 3.45Å; S365-S369 VanDerWaalsContact O-N 3.15Å; A366-S369 PolarHBondContact O-N 3.23Å; L367-S369 VanDerWaalsContact C-N 3.32Å; L367-S369 PolarHBondContact O-N 2.89Å; S369-R373 PolarHBondContact O-N 3.46Å |
| 370 | D | 98.3 | Very high | 97.8 | Very high | 58 Ų | 58 | 92.7 Ų | 92.7 | 31% | 0.31 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.3 | -39.6 | 177.8 | -77.8 | -25.8 | 0 | 0 | 0 | 111.5 | A366 L367 R373 L374 | A366-D370 PolarHBondContact O-N 3.24Å; L367-D370 PolarHBondContact O-N 3.44Å; L367-D370 VanDerWaalsContact O-N 3.16Å; D370-R373 WeakPolarHBondContact O-CB 3.37Å; D370-R373 PolarHBondContact O-N 3.23Å; D370-R373 IonicContact OD1-CZ 3.67Å; D370-R373 IonicContact OD1-NH1 2.79Å; D370-R373 PolarHBondContact OD1-NH1 3.37Å; D370-R373 IonicContact OD1-NH2 2.68Å; D370-R373 PolarHBondContact OD1-NH2 2.9Å; D370-L374 WeakPolarHBondContact O-CB 3.5Å; D370-L374 WeakPolarHBondContact O-CG 3.33Å; D370-L374 PolarHBondContact O-N 3.43Å |
| 371 | I | 98.2 | Very high | 97.9 | Very high | 87 Ų | 87 | 96.9 Ų | 96.9 | 45% | 0.446 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.7 | -52.3 | 174.7 | -72 | 165.7 | 0 | 0 | 0 | 110 | L367 E368 R373 L374 E375 | L367-I371 VanDerWaalsContact O-CG1 3.29Å; L367-I371 WeakPolarHBondContact O-CG1 3.36Å; L367-I371 PolarHBondContact O-N 3.29Å; E368-I371 PolarHBondContact O-N 3.48Å; I371-R373 VanDerWaalsContact C-N 3.25Å; I371-R373 PolarHBondContact O-N 2.88Å; I371-L374 PolarHBondContact O-N 2.88Å; I371-L374 VanDerWaalsContact O-N 3.11Å; I371-E375 HydrophobicContact CG2-CG 4.14Å; I371-E375 WeakPolarHBondContact CG2-OE1 3.38Å; I371-E375 WeakPolarHBondContact O-CB 3.48Å; I371-E375 VanDerWaalsContact O-CG 3.31Å; I371-E375 WeakPolarHBondContact O-CG 3.45Å; I371-E375 PolarHBondContact O-N 2.85Å |
| 372 | V | 97.8 | Very high | 97.9 | Very high | 97 Ų | 97 | 101 Ų | 101 | 59% | 0.588 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -57.7 | -39.8 | 178.9 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | E368 G376 | E368-V372 WeakPolarHBondContact O-CG2 3.44Å; E368-V372 PolarHBondContact O-N 3.48Å; E368-V372 VanDerWaalsContact O-N 3.15Å; V372-G376 PolarHBondContact O-N 3.47Å |
| 373 | R | 98.3 | Very high | 97.9 | Very high | 131 Ų | 131 | 97 Ų | 97 | 49% | 0.494 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.4 | -48.1 | 176.2 | -175.7 | -178.1 | 68.9 | -131.1 | -7 | 111.5 | S369 D370 I371 G376 Q377 | S369-R373 PolarHBondContact O-N 3.46Å; D370-R373 WeakPolarHBondContact O-CB 3.37Å; D370-R373 PolarHBondContact O-N 3.23Å; D370-R373 IonicContact OD1-CZ 3.67Å; D370-R373 IonicContact OD1-NH1 2.79Å; D370-R373 PolarHBondContact OD1-NH1 3.37Å; D370-R373 IonicContact OD1-NH2 2.68Å; D370-R373 PolarHBondContact OD1-NH2 2.9Å; I371-R373 VanDerWaalsContact C-N 3.25Å; I371-R373 PolarHBondContact O-N 2.88Å; R373-G376 PolarHBondContact O-N 3.25Å; R373-Q377 WeakPolarHBondContact O-CG 3.3Å; R373-Q377 PolarHBondContact O-N 2.96Å |
| 374 | L | 98.2 | Very high | 97.9 | Very high | 91 Ų | 91 | 95 Ų | 95 | 48% | 0.476 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.7 | -44.4 | -179.6 | -72.7 | 172.1 | 0 | 0 | 0 | 111.3 | D370 I371 G376 Q377 T378 | D370-L374 WeakPolarHBondContact O-CB 3.5Å; D370-L374 WeakPolarHBondContact O-CG 3.33Å; D370-L374 PolarHBondContact O-N 3.43Å; I371-L374 PolarHBondContact O-N 2.88Å; I371-L374 VanDerWaalsContact O-N 3.11Å; L374-G376 VanDerWaalsContact C-N 3.27Å; L374-G376 PolarHBondContact O-N 3.48Å; L374-Q377 CarbonylContact O-C 3.57Å; L374-Q377 WeakPolarHBondContact O-CA 3.23Å; L374-Q377 WeakPolarHBondContact O-CB 3.35Å; L374-Q377 PolarHBondContact O-N 2.96Å; L374-T378 PolarHBondContact O-N 3.03Å; L374-T378 PolarHBondContact O-OG1 3.34Å; L374-T378 VanDerWaalsContact O-OG1 3.07Å |
| 375 | E | 97.9 | Very high | 97.9 | Very high | 103 Ų | 103 | 93 Ų | 93 | 48% | 0.481 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.3 | -41.1 | 173.6 | -72.8 | 179.2 | 169.8 | 0 | 0 | 112 | I371 T378 K379 | I371-E375 HydrophobicContact CG2-CG 4.14Å; I371-E375 WeakPolarHBondContact CG2-OE1 3.38Å; I371-E375 WeakPolarHBondContact O-CB 3.48Å; I371-E375 VanDerWaalsContact O-CG 3.31Å; I371-E375 WeakPolarHBondContact O-CG 3.45Å; I371-E375 PolarHBondContact O-N 2.85Å; E375-T378 PolarHBondContact O-N 3.01Å; E375-K379 WeakPolarHBondContact O-CG 3.22Å; E375-K379 PolarHBondContact O-N 2.89Å |
| 376 | G | 97.6 | Very high | 97.8 | Very high | 32 Ų | 32 | 93.5 Ų | 93.5 | 33% | 0.33 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V372 R373 L374 R380 | V372-G376 PolarHBondContact O-N 3.47Å; R373-G376 PolarHBondContact O-N 3.25Å; L374-G376 VanDerWaalsContact C-N 3.27Å; L374-G376 PolarHBondContact O-N 3.48Å; G376-R380 WeakPolarHBondContact O-CG 3.44Å; G376-R380 PolarHBondContact O-N 3.43Å |
| 377 | Q | 98.3 | Very high | 97.7 | Very high | 81 Ų | 81 | 93.9 Ų | 93.9 | 38% | 0.379 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.9 | -46.5 | 175.8 | -70.7 | 178.2 | 2.9 | 0 | 0 | 111.9 | R373 L374 K379 R380 Y381 | R373-Q377 WeakPolarHBondContact O-CG 3.3Å; R373-Q377 PolarHBondContact O-N 2.96Å; L374-Q377 CarbonylContact O-C 3.57Å; L374-Q377 WeakPolarHBondContact O-CA 3.23Å; L374-Q377 WeakPolarHBondContact O-CB 3.35Å; L374-Q377 PolarHBondContact O-N 2.96Å; Q377-K379 VanDerWaalsContact C-N 3.31Å; Q377-K379 PolarHBondContact O-N 2.91Å; Q377-R380 PolarHBondContact O-N 3.16Å; Q377-Y381 HydrophobicContact CB-CD2 4.31Å; Q377-Y381 HydrophobicContact CB-CE2 4.15Å; Q377-Y381 WeakPolarHBondContact O-CD2 3.44Å; Q377-Y381 PolarHBondContact O-N 2.83Å |
| 378 | T | 97.6 | Very high | 97.6 | Very high | 93 Ų | 93 | 93.7 Ų | 93.7 | 57% | 0.571 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58 | -43.1 | 177.8 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | L374 E375 R380 Y381 K382 | L374-T378 PolarHBondContact O-N 3.03Å; L374-T378 PolarHBondContact O-OG1 3.34Å; L374-T378 VanDerWaalsContact O-OG1 3.07Å; E375-T378 PolarHBondContact O-N 3.01Å; T378-R380 VanDerWaalsContact C-N 3.34Å; T378-R380 PolarHBondContact O-N 2.94Å; T378-Y381 PolarHBondContact O-N 3.38Å; T378-K382 VanDerWaalsContact O-CB 3.3Å; T378-K382 WeakPolarHBondContact O-CB 3.32Å; T378-K382 PolarHBondContact O-N 3.31Å |
| 379 | K | 98 | Very high | 97.4 | Very high | 149 Ų | 149 | 94.5 Ų | 94.5 | 65% | 0.648 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.6 | -41.2 | 174.2 | -74.2 | 172 | -176.5 | 169.8 | 0 | 112.5 | E375 Q377 A383 | E375-K379 WeakPolarHBondContact O-CG 3.22Å; E375-K379 PolarHBondContact O-N 2.89Å; Q377-K379 VanDerWaalsContact C-N 3.31Å; Q377-K379 PolarHBondContact O-N 2.91Å; K379-A383 PolarHBondContact O-N 3.36Å; K379-A383 VanDerWaalsContact O-N 3.12Å |
| 380 | R | 97.2 | Very high | 97.4 | Very high | 174 Ų | 174 | 97.3 Ų | 97.3 | 66% | 0.657 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.4 | -44.4 | 177.6 | -68.4 | -178 | 80.2 | -117.8 | 0.2 | 112 | G376 Q377 T378 K382 A383 I384 | G376-R380 WeakPolarHBondContact O-CG 3.44Å; G376-R380 PolarHBondContact O-N 3.43Å; Q377-R380 PolarHBondContact O-N 3.16Å; T378-R380 VanDerWaalsContact C-N 3.34Å; T378-R380 PolarHBondContact O-N 2.94Å; R380-K382 VanDerWaalsContact C-N 3.34Å; R380-A383 PolarHBondContact O-N 3.31Å; R380-I384 VanDerWaalsContact O-CG1 3.27Å; R380-I384 WeakPolarHBondContact O-CG1 3.08Å; R380-I384 PolarHBondContact O-N 3.07Å |
| 381 | Y | 98.2 | Very high | 97.3 | Very high | 154 Ų | 154 | 99.3 Ų | 99.3 | 60% | 0.604 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.2 | -38.7 | 177.7 | -73.1 | -55.1 | 0 | 0 | 0 | 112.2 | Q377 T378 I384 A385 | Q377-Y381 HydrophobicContact CB-CD2 4.31Å; Q377-Y381 HydrophobicContact CB-CE2 4.15Å; Q377-Y381 WeakPolarHBondContact O-CD2 3.44Å; Q377-Y381 PolarHBondContact O-N 2.83Å; T378-Y381 PolarHBondContact O-N 3.38Å; Y381-I384 HydrophobicContact CD1-CD1 4.39Å; Y381-I384 PolarHBondContact O-N 3.33Å; Y381-A385 WeakPolarHBondContact O-CB 3.38Å; Y381-A385 PolarHBondContact O-N 2.97Å |
| 382 | K | 97.8 | Very high | 97.1 | Very high | 130 Ų | 130 | 99.9 Ų | 99.9 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.3 | -49.7 | 172.3 | -176.2 | 175 | -179.9 | 174.1 | 0 | 111.7 | T378 R380 I384 A385 D386 | T378-K382 VanDerWaalsContact O-CB 3.3Å; T378-K382 WeakPolarHBondContact O-CB 3.32Å; T378-K382 PolarHBondContact O-N 3.31Å; R380-K382 VanDerWaalsContact C-N 3.34Å; K382-I384 VanDerWaalsContact C-N 3.27Å; K382-I384 PolarHBondContact O-N 3.07Å; K382-A385 PolarHBondContact O-N 3.03Å; K382-A385 VanDerWaalsContact O-N 3.15Å; K382-D386 VanDerWaalsContact O-CG 3.22Å; K382-D386 PolarHBondContact O-N 3.46Å |
| 383 | A | 97.6 | Very high | 97 | Very high | 60 Ų | 60 | 100.2 Ų | 100.2 | 50% | 0.496 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -34.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K379 R380 A387 | K379-A383 PolarHBondContact O-N 3.36Å; K379-A383 VanDerWaalsContact O-N 3.12Å; R380-A383 PolarHBondContact O-N 3.31Å; A383-A387 WeakPolarHBondContact O-CB 3.46Å; A383-A387 PolarHBondContact O-N 3.2Å; A383-A387 VanDerWaalsContact O-N 3.11Å |
| 384 | I | 97.4 | Very high | 97 | Very high | 86 Ų | 86 | 97.2 Ų | 97.2 | 44% | 0.441 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.1 | -44.2 | 174.2 | -67.7 | 163.5 | 0 | 0 | 0 | 110.6 | R380 Y381 K382 A387 C388 | R380-I384 VanDerWaalsContact O-CG1 3.27Å; R380-I384 WeakPolarHBondContact O-CG1 3.08Å; R380-I384 PolarHBondContact O-N 3.07Å; Y381-I384 HydrophobicContact CD1-CD1 4.39Å; Y381-I384 PolarHBondContact O-N 3.33Å; K382-I384 VanDerWaalsContact C-N 3.27Å; K382-I384 PolarHBondContact O-N 3.07Å; I384-A387 PolarHBondContact O-N 3.44Å; I384-C388 WeakPolarHBondContact O-CB 3.48Å; I384-C388 PolarHBondContact O-N 2.93Å; I384-C388 PolarHBondContact O-SG 3.01Å; I384-C388 VanDerWaalsContact O-SG 3.34Å |
| 385 | A | 97.1 | Very high | 96.9 | Very high | 45 Ų | 45 | 97.8 Ų | 97.8 | 37% | 0.372 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.8 | -48.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y381 K382 A387 C388 E389 | Y381-A385 WeakPolarHBondContact O-CB 3.38Å; Y381-A385 PolarHBondContact O-N 2.97Å; K382-A385 PolarHBondContact O-N 3.03Å; K382-A385 VanDerWaalsContact O-N 3.15Å; A385-A387 VanDerWaalsContact C-N 3.3Å; A385-A387 PolarHBondContact O-N 2.86Å; A385-C388 WeakPolarHBondContact O-CB 3.39Å; A385-C388 PolarHBondContact O-N 3.38Å; A385-C388 VanDerWaalsContact O-N 3.08Å; A385-E389 WeakPolarHBondContact O-CG 3.39Å; A385-E389 PolarHBondContact O-N 2.77Å |
| 386 | D | 96.6 | Very high | 96.9 | Very high | 81 Ų | 81 | 95.5 Ų | 95.5 | 43% | 0.433 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.1 | -43.1 | 176.4 | -64.6 | -21.2 | 0 | 0 | 0 | 111.1 | K382 E389 E390 | K382-D386 VanDerWaalsContact O-CG 3.22Å; K382-D386 PolarHBondContact O-N 3.46Å; D386-E389 PolarHBondContact O-N 3.21Å; D386-E390 PolarHBondContact O-N 3.02Å |
| 387 | A | 96.1 | Very high | 96.8 | Very high | 55 Ų | 55 | 100.1 Ų | 100.1 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.6 | -36.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A383 I384 A385 Q391 | A383-A387 WeakPolarHBondContact O-CB 3.46Å; A383-A387 PolarHBondContact O-N 3.2Å; A383-A387 VanDerWaalsContact O-N 3.11Å; I384-A387 PolarHBondContact O-N 3.44Å; A385-A387 VanDerWaalsContact C-N 3.3Å; A385-A387 PolarHBondContact O-N 2.86Å; A387-Q391 WeakPolarHBondContact O-CB 3.46Å; A387-Q391 PolarHBondContact O-N 2.97Å; A387-Q391 VanDerWaalsContact O-N 3.08Å |
| 388 | C | 96.6 | Very high | 96.7 | Very high | 79 Ų | 79 | 99.7 Ų | 99.7 | 53% | 0.534 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.6 | -41.5 | 174.1 | -76 | 0 | 0 | 0 | 0 | 111.8 | I384 A385 Q391 E392 | I384-C388 WeakPolarHBondContact O-CB 3.48Å; I384-C388 PolarHBondContact O-N 2.93Å; I384-C388 PolarHBondContact O-SG 3.01Å; I384-C388 VanDerWaalsContact O-SG 3.34Å; A385-C388 WeakPolarHBondContact O-CB 3.39Å; A385-C388 PolarHBondContact O-N 3.38Å; A385-C388 VanDerWaalsContact O-N 3.08Å; C388-Q391 PolarHBondContact O-N 2.65Å; C388-E392 WeakPolarHBondContact O-CB 3.44Å; C388-E392 PolarHBondContact O-N 3.24Å |
| 389 | E | 94.2 | Very high | 96.7 | Very high | 124 Ų | 124 | 102.2 Ų | 102.2 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.1 | -44.7 | 176.2 | -73.7 | -177.2 | -173 | 0 | 0 | 111.6 | A385 D386 Q391 E392 E393 | A385-E389 WeakPolarHBondContact O-CG 3.39Å; A385-E389 PolarHBondContact O-N 2.77Å; D386-E389 PolarHBondContact O-N 3.21Å; E389-Q391 VanDerWaalsContact C-N 3.35Å; E389-Q391 PolarHBondContact O-N 3.31Å; E389-E392 PolarHBondContact O-N 3.23Å; E389-E393 PolarHBondContact O-N 3.37Å |
| 390 | E | 97 | Very high | 96.6 | Very high | 134 Ų | 134 | 101.5 Ų | 101.5 | 63% | 0.626 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.6 | -45.8 | 175.3 | -174.8 | 176.4 | -176.1 | 0 | 0 | 111.3 | D386 E392 E393 I394 | D386-E390 PolarHBondContact O-N 3.02Å; E390-E392 VanDerWaalsContact C-N 3.31Å; E390-E392 PolarHBondContact O-N 2.81Å; E390-E393 PolarHBondContact O-N 3.26Å; E390-I394 HydrophobicContact CG-CD1 4.18Å; E390-I394 WeakPolarHBondContact O-CG1 3.27Å; E390-I394 PolarHBondContact O-N 2.9Å |
| 391 | Q | 95.9 | Very high | 96.5 | Very high | 100 Ų | 100 | 99.7 Ų | 99.7 | 47% | 0.467 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.3 | -36.5 | 177.5 | -174.9 | 58.2 | 74.4 | 0 | 0 | 112.5 | A387 C388 E389 L395 | A387-Q391 WeakPolarHBondContact O-CB 3.46Å; A387-Q391 PolarHBondContact O-N 2.97Å; A387-Q391 VanDerWaalsContact O-N 3.08Å; C388-Q391 PolarHBondContact O-N 2.65Å; E389-Q391 VanDerWaalsContact C-N 3.35Å; E389-Q391 PolarHBondContact O-N 3.31Å; Q391-L395 HydrophobicContact CG-CD1 4.39Å; Q391-L395 VanDerWaalsContact O-CG 3.31Å; Q391-L395 WeakPolarHBondContact O-CG 3.43Å; Q391-L395 PolarHBondContact O-N 3.29Å |
| 392 | E | 94.7 | Very high | 96.4 | Very high | 99 Ų | 99 | 96 Ų | 96 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 176.2 | -166.9 | -168.5 | 150.2 | 0 | 0 | 111.6 | C388 E389 E390 L395 K396 | C388-E392 WeakPolarHBondContact O-CB 3.44Å; C388-E392 PolarHBondContact O-N 3.24Å; E389-E392 PolarHBondContact O-N 3.23Å; E390-E392 VanDerWaalsContact C-N 3.31Å; E390-E392 PolarHBondContact O-N 2.81Å; E392-L395 PolarHBondContact O-N 2.91Å; E392-K396 HydrophobicContact CG-CD 4.49Å; E392-K396 WeakPolarHBondContact O-CG 3.44Å; E392-K396 PolarHBondContact O-N 3.11Å; E392-K396 WeakPolarHBondContact OE1-CE 3.33Å; E392-K396 IonicContact OE1-NZ 2.76Å; E392-K396 PolarHBondContact OE1-NZ 3.27Å |
| 393 | E | 95.4 | Very high | 96.4 | Very high | 103 Ų | 103 | 94.4 Ų | 94.4 | 48% | 0.481 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.3 | -39.6 | 177.3 | -74.1 | -56.2 | 124.2 | 0 | 0 | 112.2 | E389 E390 K396 Q397 | E389-E393 PolarHBondContact O-N 3.37Å; E390-E393 PolarHBondContact O-N 3.26Å; E393-K396 PolarHBondContact O-N 3.37Å; E393-K396 VanDerWaalsContact OE1-CD 3.28Å; E393-K396 WeakPolarHBondContact OE1-CD 3.49Å; E393-K396 IonicContact OE1-NZ 2.77Å; E393-K396 PolarHBondContact OE1-NZ 3.01Å; E393-Q397 WeakPolarHBondContact O-CB 3.36Å; E393-Q397 PolarHBondContact O-N 2.82Å |
| 394 | I | 97 | Very high | 96.3 | Very high | 69 Ų | 69 | 97.5 Ų | 97.5 | 35% | 0.354 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.3 | -49.5 | 172.5 | -66.9 | 166.1 | 0 | 0 | 0 | 110.3 | E390 K396 Q397 D398 | E390-I394 HydrophobicContact CG-CD1 4.18Å; E390-I394 WeakPolarHBondContact O-CG1 3.27Å; E390-I394 PolarHBondContact O-N 2.9Å; I394-K396 VanDerWaalsContact C-N 3.32Å; I394-K396 PolarHBondContact O-N 3.05Å; I394-Q397 WeakPolarHBondContact O-CB 3.42Å; I394-Q397 PolarHBondContact O-N 2.94Å; I394-Q397 VanDerWaalsContact O-N 3.12Å; I394-D398 PolarHBondContact O-N 3.12Å |
| 395 | L | 96.5 | Very high | 96.2 | Very high | 103 Ų | 103 | 97.6 Ų | 97.6 | 54% | 0.539 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.4 | -36.8 | 179.2 | -71.8 | 172.7 | 0 | 0 | 0 | 112.3 | Q391 E392 R399 | Q391-L395 HydrophobicContact CG-CD1 4.39Å; Q391-L395 VanDerWaalsContact O-CG 3.31Å; Q391-L395 WeakPolarHBondContact O-CG 3.43Å; Q391-L395 PolarHBondContact O-N 3.29Å; E392-L395 PolarHBondContact O-N 2.91Å; L395-R399 VanDerWaalsContact O-CB 3.24Å; L395-R399 WeakPolarHBondContact O-CB 3.28Å; L395-R399 PolarHBondContact O-N 3.15Å |
| 396 | K | 97.6 | Very high | 96.2 | Very high | 55 Ų | 55 | 100 Ų | 100 | 24% | 0.239 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 173.4 | -77.4 | 169.6 | -175.9 | 160.6 | 0 | 111.3 | E392 E393 I394 R400 | E392-K396 HydrophobicContact CG-CD 4.49Å; E392-K396 WeakPolarHBondContact O-CG 3.44Å; E392-K396 PolarHBondContact O-N 3.11Å; E392-K396 WeakPolarHBondContact OE1-CE 3.33Å; E392-K396 IonicContact OE1-NZ 2.76Å; E392-K396 PolarHBondContact OE1-NZ 3.27Å; E393-K396 PolarHBondContact O-N 3.37Å; E393-K396 VanDerWaalsContact OE1-CD 3.28Å; E393-K396 WeakPolarHBondContact OE1-CD 3.49Å; E393-K396 IonicContact OE1-NZ 2.77Å; E393-K396 PolarHBondContact OE1-NZ 3.01Å; I394-K396 VanDerWaalsContact C-N 3.32Å; I394-K396 PolarHBondContact O-N 3.05Å; K396-R400 VanDerWaalsContact O-CG 3.29Å; K396-R400 WeakPolarHBondContact O-CG 3.28Å; K396-R400 PolarHBondContact O-N 3.36Å; K396-R400 VanDerWaalsContact O-N 3.08Å |
| 397 | Q | 96.1 | Very high | 96.2 | Very high | 128 Ų | 128 | 103.3 Ų | 103.3 | 60% | 0.598 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65 | -46.1 | 177.7 | -174.8 | 173.8 | 8.6 | 0 | 0 | 111.4 | E393 I394 R400 R401 | E393-Q397 WeakPolarHBondContact O-CB 3.36Å; E393-Q397 PolarHBondContact O-N 2.82Å; I394-Q397 WeakPolarHBondContact O-CB 3.42Å; I394-Q397 PolarHBondContact O-N 2.94Å; I394-Q397 VanDerWaalsContact O-N 3.12Å; Q397-R400 WeakPolarHBondContact O-CB 3.46Å; Q397-R400 PolarHBondContact O-N 2.99Å; Q397-R401 PolarHBondContact O-N 3.17Å |
| 398 | D | 96.3 | Very high | 96.2 | Very high | 73 Ų | 73 | 105.3 Ų | 105.3 | 39% | 0.39 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 177.1 | -81.2 | -13.5 | 0 | 0 | 0 | 111.7 | I394 R400 R401 C402 | I394-D398 PolarHBondContact O-N 3.12Å; D398-R400 VanDerWaalsContact C-N 3.29Å; D398-R400 PolarHBondContact O-N 2.85Å; D398-R401 CarbonylContact O-C 3.5Å; D398-R401 WeakPolarHBondContact O-CA 3.29Å; D398-R401 WeakPolarHBondContact O-CB 3.26Å; D398-R401 PolarHBondContact O-N 2.88Å; D398-C402 PolarHBondContact O-N 3.3Å; D398-C402 PolarHBondContact O-SG 2.96Å; D398-C402 VanDerWaalsContact O-SG 3.41Å |
| 399 | R | 97.6 | Very high | 96.2 | Very high | 145 Ų | 145 | 105.8 Ų | 105.8 | 55% | 0.547 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -55.5 | -45.9 | 173.5 | -176.5 | -175.3 | 66.4 | 175.7 | -2.1 | 111.4 | L395 R401 Q403 | L395-R399 VanDerWaalsContact O-CB 3.24Å; L395-R399 WeakPolarHBondContact O-CB 3.28Å; L395-R399 PolarHBondContact O-N 3.15Å; R399-R401 VanDerWaalsContact C-N 3.33Å; R399-R401 PolarHBondContact O-N 2.79Å; R399-Q403 WeakPolarHBondContact O-CB 3.24Å; R399-Q403 VanDerWaalsContact O-CG 3.27Å; R399-Q403 WeakPolarHBondContact O-CG 3.22Å; R399-Q403 PolarHBondContact O-N 3.13Å |
| 400 | R | 96.1 | Very high | 96.4 | Very high | 135 Ų | 135 | 104.3 Ų | 104.3 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.7 | -37.4 | 177 | -71.5 | 171.9 | -174.9 | 168.6 | 6 | 111.7 | K396 Q397 D398 R404 | K396-R400 VanDerWaalsContact O-CG 3.29Å; K396-R400 WeakPolarHBondContact O-CG 3.28Å; K396-R400 PolarHBondContact O-N 3.36Å; K396-R400 VanDerWaalsContact O-N 3.08Å; Q397-R400 WeakPolarHBondContact O-CB 3.46Å; Q397-R400 PolarHBondContact O-N 2.99Å; D398-R400 VanDerWaalsContact C-N 3.29Å; D398-R400 PolarHBondContact O-N 2.85Å; R400-R404 WeakPolarHBondContact O-CG 3.49Å; R400-R404 PolarHBondContact O-N 2.96Å |
| 401 | R | 95.5 | Very high | 96.3 | Very high | 136 Ų | 136 | 100.8 Ų | 100.8 | 51% | 0.513 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.8 | -53.1 | 175.3 | -179 | -175.6 | 171.9 | -177.9 | 0.9 | 111.1 | Q397 D398 R399 Q403 R404 E405 | Q397-R401 PolarHBondContact O-N 3.17Å; D398-R401 CarbonylContact O-C 3.5Å; D398-R401 WeakPolarHBondContact O-CA 3.29Å; D398-R401 WeakPolarHBondContact O-CB 3.26Å; D398-R401 PolarHBondContact O-N 2.88Å; R399-R401 VanDerWaalsContact C-N 3.33Å; R399-R401 PolarHBondContact O-N 2.79Å; R401-Q403 VanDerWaalsContact C-N 3.27Å; R401-Q403 PolarHBondContact O-N 3.39Å; R401-R404 WeakPolarHBondContact O-CB 3.46Å; R401-R404 PolarHBondContact O-N 3.45Å; R401-E405 WeakPolarHBondContact CG-OE1 3.45Å; R401-E405 IonicContact CZ-OE1 2.65Å; R401-E405 IonicContact NE-OE1 2.7Å; R401-E405 PolarHBondContact NE-OE1 3.25Å; R401-E405 IonicContact NH2-OE1 3.96Å; R401-E405 PolarHBondContact NH2-OE1 2.91Å; R401-E405 PolarHBondContact O-N 3.1Å |
| 402 | C | 96.2 | Very high | 96.3 | Very high | 75 Ų | 75 | 102.2 Ų | 102.2 | 51% | 0.507 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.5 | -36.9 | 177.8 | -65.5 | 0 | 0 | 0 | 0 | 112.1 | D398 R404 E405 L406 | D398-C402 PolarHBondContact O-N 3.3Å; D398-C402 PolarHBondContact O-SG 2.96Å; D398-C402 VanDerWaalsContact O-SG 3.41Å; C402-R404 VanDerWaalsContact C-N 3.32Å; C402-R404 PolarHBondContact O-N 2.86Å; C402-E405 PolarHBondContact O-N 3.27Å; C402-L406 VanDerWaalsContact O-CB 3.26Å; C402-L406 WeakPolarHBondContact O-CB 3.25Å; C402-L406 PolarHBondContact O-N 3.23Å |
| 403 | Q | 96.8 | Very high | 96.4 | Very high | 98 Ų | 98 | 101.8 Ų | 101.8 | 46% | 0.458 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.9 | -28.8 | 174.8 | -77.3 | 176.7 | -2.8 | 0 | 0 | 114 | R399 R401 R407 | R399-Q403 WeakPolarHBondContact O-CB 3.24Å; R399-Q403 VanDerWaalsContact O-CG 3.27Å; R399-Q403 WeakPolarHBondContact O-CG 3.22Å; R399-Q403 PolarHBondContact O-N 3.13Å; R401-Q403 VanDerWaalsContact C-N 3.27Å; R401-Q403 PolarHBondContact O-N 3.39Å; Q403-R407 WeakPolarHBondContact O-CG 3.46Å; Q403-R407 PolarHBondContact O-N 3.16Å; Q403-R407 PolarHBondContact O-NE 2.94Å; Q403-R407 VanDerWaalsContact O-NE 3.08Å |
| 404 | R | 95.6 | Very high | 96.4 | Very high | 125 Ų | 125 | 103.1 Ų | 103.1 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -73 | -50.3 | 171.5 | -73.5 | -179.1 | -68.8 | -121.7 | -0.4 | 110.2 | R400 R401 C402 L406 R407 D408 | R400-R404 WeakPolarHBondContact O-CG 3.49Å; R400-R404 PolarHBondContact O-N 2.96Å; R401-R404 WeakPolarHBondContact O-CB 3.46Å; R401-R404 PolarHBondContact O-N 3.45Å; C402-R404 VanDerWaalsContact C-N 3.32Å; C402-R404 PolarHBondContact O-N 2.86Å; R404-L406 VanDerWaalsContact C-N 3.27Å; R404-L406 PolarHBondContact O-N 3.29Å; R404-R407 PolarHBondContact O-N 2.99Å; R404-D408 PolarHBondContact O-N 3.41Å |
| 405 | E | 96 | Very high | 96.4 | Very high | 87 Ų | 87 | 104.7 Ų | 104.7 | 41% | 0.407 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.2 | -39 | 178.6 | -68.5 | 172.9 | -179.5 | 0 | 0 | 111.9 | R401 C402 D408 V409 | R401-E405 WeakPolarHBondContact CG-OE1 3.45Å; R401-E405 IonicContact CZ-OE1 2.65Å; R401-E405 IonicContact NE-OE1 2.7Å; R401-E405 PolarHBondContact NE-OE1 3.25Å; R401-E405 IonicContact NH2-OE1 3.96Å; R401-E405 PolarHBondContact NH2-OE1 2.91Å; R401-E405 PolarHBondContact O-N 3.1Å; C402-E405 PolarHBondContact O-N 3.27Å; E405-D408 PolarHBondContact O-N 3.48Å; E405-V409 WeakPolarHBondContact O-CB 3.12Å; E405-V409 VanDerWaalsContact O-CG2 3.3Å; E405-V409 WeakPolarHBondContact O-CG2 3.29Å; E405-V409 PolarHBondContact O-N 3.38Å |
| 406 | L | 95.9 | Very high | 96.4 | Very high | 97 Ų | 97 | 105.5 Ų | 105.5 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 174.9 | -179.6 | 64.5 | 0 | 0 | 0 | 112 | C402 R404 D408 V409 Q410 | C402-L406 VanDerWaalsContact O-CB 3.26Å; C402-L406 WeakPolarHBondContact O-CB 3.25Å; C402-L406 PolarHBondContact O-N 3.23Å; R404-L406 VanDerWaalsContact C-N 3.27Å; R404-L406 PolarHBondContact O-N 3.29Å; L406-D408 VanDerWaalsContact C-N 3.35Å; L406-V409 PolarHBondContact O-N 3.42Å; L406-Q410 HydrophobicContact CD1-CG 4.45Å; L406-Q410 WeakPolarHBondContact O-CB 3.18Å; L406-Q410 VanDerWaalsContact O-CG 3.23Å; L406-Q410 WeakPolarHBondContact O-CG 3.36Å; L406-Q410 PolarHBondContact O-N 3.41Å |
| 407 | R | 96.6 | Very high | 96.3 | Very high | 150 Ų | 150 | 109.1 Ų | 109.1 | 57% | 0.566 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.4 | -40.7 | 177.4 | -77.7 | -178.9 | -76 | 158.8 | -8.4 | 111.6 | Q403 R404 Q410 S411 | Q403-R407 WeakPolarHBondContact O-CG 3.46Å; Q403-R407 PolarHBondContact O-N 3.16Å; Q403-R407 PolarHBondContact O-NE 2.94Å; Q403-R407 VanDerWaalsContact O-NE 3.08Å; R404-R407 PolarHBondContact O-N 2.99Å; R407-Q410 PolarHBondContact O-N 2.89Å; R407-S411 PolarHBondContact O-N 3.47Å |
| 408 | D | 96.3 | Very high | 96.3 | Very high | 96 Ų | 96 | 106 Ų | 106 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 177.1 | -64.3 | -21.1 | 0 | 0 | 0 | 111.6 | R404 E405 L406 K412 | R404-D408 PolarHBondContact O-N 3.41Å; E405-D408 PolarHBondContact O-N 3.48Å; L406-D408 VanDerWaalsContact C-N 3.35Å; D408-K412 VanDerWaalsContact O-CG 3.3Å; D408-K412 WeakPolarHBondContact O-CG 3.27Å; D408-K412 PolarHBondContact O-N 3.34Å |
| 409 | V | 96.6 | Very high | 96.4 | Very high | 89 Ų | 89 | 106 Ų | 106 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.4 | -39.7 | 175.2 | 170.9 | 0 | 0 | 0 | 0 | 111.4 | E405 L406 K412 L413 | E405-V409 WeakPolarHBondContact O-CB 3.12Å; E405-V409 VanDerWaalsContact O-CG2 3.3Å; E405-V409 WeakPolarHBondContact O-CG2 3.29Å; E405-V409 PolarHBondContact O-N 3.38Å; L406-V409 PolarHBondContact O-N 3.42Å; V409-K412 PolarHBondContact O-N 3.28Å; V409-L413 WeakPolarHBondContact O-CB 3.48Å; V409-L413 PolarHBondContact O-N 2.9Å |
| 410 | Q | 97.8 | Very high | 96.2 | Very high | 93 Ų | 93 | 104 Ų | 104 | 44% | 0.435 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 174.6 | -76.9 | 172 | -25.8 | 0 | 0 | 111.4 | L406 R407 K412 L413 E414 | L406-Q410 HydrophobicContact CD1-CG 4.45Å; L406-Q410 WeakPolarHBondContact O-CB 3.18Å; L406-Q410 VanDerWaalsContact O-CG 3.23Å; L406-Q410 WeakPolarHBondContact O-CG 3.36Å; L406-Q410 PolarHBondContact O-N 3.41Å; R407-Q410 PolarHBondContact O-N 2.89Å; Q410-K412 PolarHBondContact O-N 3.48Å; Q410-L413 WeakPolarHBondContact O-CB 3.32Å; Q410-L413 PolarHBondContact O-N 3.09Å; Q410-L413 VanDerWaalsContact O-N 3.16Å; Q410-E414 WeakPolarHBondContact O-CG 3.45Å; Q410-E414 PolarHBondContact O-N 2.9Å |
| 411 | S | 95.8 | Very high | 96.2 | Very high | 60 Ų | 60 | 99.5 Ų | 99.5 | 42% | 0.42 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.5 | -46.9 | 174 | -172.3 | 0 | 0 | 0 | 0 | 111.4 | R407 L413 E414 D415 | R407-S411 PolarHBondContact O-N 3.47Å; S411-L413 VanDerWaalsContact C-N 3.29Å; S411-L413 PolarHBondContact O-N 3.37Å; S411-E414 PolarHBondContact O-N 3.36Å; S411-D415 VanDerWaalsContact O-CG 3.31Å; S411-D415 PolarHBondContact O-N 2.95Å |
| 412 | K | 96.9 | Very high | 96.2 | Very high | 130 Ų | 130 | 98.8 Ų | 98.8 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.6 | -36.8 | 176.3 | -72.2 | 170.7 | -175.6 | 175.6 | 0 | 112.6 | D408 V409 Q410 L416 | D408-K412 VanDerWaalsContact O-CG 3.3Å; D408-K412 WeakPolarHBondContact O-CG 3.27Å; D408-K412 PolarHBondContact O-N 3.34Å; V409-K412 PolarHBondContact O-N 3.28Å; Q410-K412 PolarHBondContact O-N 3.48Å; K412-L416 WeakPolarHBondContact O-CB 3.48Å; K412-L416 VanDerWaalsContact O-CG 3.29Å; K412-L416 WeakPolarHBondContact O-CG 3.38Å; K412-L416 PolarHBondContact O-N 2.86Å |
| 413 | L | 96 | Very high | 96.1 | Very high | 90 Ų | 90 | 98.9 Ų | 98.9 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.7 | -41.5 | 176.5 | -174.3 | 80.6 | 0 | 0 | 0 | 110.9 | V409 Q410 S411 L416 K417 | V409-L413 WeakPolarHBondContact O-CB 3.48Å; V409-L413 PolarHBondContact O-N 2.9Å; Q410-L413 WeakPolarHBondContact O-CB 3.32Å; Q410-L413 PolarHBondContact O-N 3.09Å; Q410-L413 VanDerWaalsContact O-N 3.16Å; S411-L413 VanDerWaalsContact C-N 3.29Å; S411-L413 PolarHBondContact O-N 3.37Å; L413-L416 PolarHBondContact O-N 2.96Å; L413-K417 HydrophobicContact CG-CD 4.32Å; L413-K417 WeakPolarHBondContact O-CB 3.42Å; L413-K417 VanDerWaalsContact O-CG 3.24Å; L413-K417 WeakPolarHBondContact O-CG 3.45Å; L413-K417 PolarHBondContact O-N 3.4Å |
| 414 | E | 96.2 | Very high | 96 | Very high | 131 Ų | 131 | 98.9 Ų | 98.9 | 61% | 0.612 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.7 | -44.2 | 175.9 | -72.2 | 176.8 | -178.6 | 0 | 0 | 111.6 | Q410 S411 L416 K417 A418 | Q410-E414 WeakPolarHBondContact O-CG 3.45Å; Q410-E414 PolarHBondContact O-N 2.9Å; S411-E414 PolarHBondContact O-N 3.36Å; E414-L416 PolarHBondContact O-N 3.41Å; E414-K417 PolarHBondContact O-N 3.41Å; E414-A418 WeakPolarHBondContact O-CB 3.35Å; E414-A418 PolarHBondContact O-N 3.22Å |
| 415 | D | 96.1 | Very high | 95.8 | Very high | 103 Ų | 103 | 100.1 Ų | 100.1 | 55% | 0.551 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.1 | -47.5 | 174.6 | -67.2 | -28.6 | 0 | 0 | 0 | 111.5 | S411 K417 A418 E419 | S411-D415 VanDerWaalsContact O-CG 3.31Å; S411-D415 PolarHBondContact O-N 2.95Å; D415-K417 PolarHBondContact O-N 2.83Å; D415-A418 PolarHBondContact O-N 2.96Å; D415-E419 WeakPolarHBondContact O-CB 3.31Å; D415-E419 PolarHBondContact O-N 2.83Å |
| 416 | L | 96.1 | Very high | 95.7 | Very high | 120 Ų | 120 | 99.3 Ų | 99.3 | 63% | 0.628 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.5 | -36.3 | 177.1 | -74.1 | 174.8 | 0 | 0 | 0 | 112.3 | K412 L413 E414 E419 N420 | K412-L416 WeakPolarHBondContact O-CB 3.48Å; K412-L416 VanDerWaalsContact O-CG 3.29Å; K412-L416 WeakPolarHBondContact O-CG 3.38Å; K412-L416 PolarHBondContact O-N 2.86Å; L413-L416 PolarHBondContact O-N 2.96Å; E414-L416 PolarHBondContact O-N 3.41Å; L416-E419 PolarHBondContact O-N 2.93Å; L416-N420 VanDerWaalsContact O-CB 3.22Å; L416-N420 WeakPolarHBondContact O-CB 3.37Å; L416-N420 PolarHBondContact O-N 2.91Å |
| 417 | K | 96.2 | Very high | 95.4 | Very high | 131 Ų | 131 | 98 Ų | 98 | 57% | 0.57 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.2 | -41.7 | 174 | -80.1 | 174 | 178.2 | 177.2 | 0 | 111.5 | L413 E414 D415 E419 N420 A421 | L413-K417 HydrophobicContact CG-CD 4.32Å; L413-K417 WeakPolarHBondContact O-CB 3.42Å; L413-K417 VanDerWaalsContact O-CG 3.24Å; L413-K417 WeakPolarHBondContact O-CG 3.45Å; L413-K417 PolarHBondContact O-N 3.4Å; E414-K417 PolarHBondContact O-N 3.41Å; D415-K417 PolarHBondContact O-N 2.83Å; K417-E419 VanDerWaalsContact C-N 3.34Å; K417-N420 PolarHBondContact O-N 3.36Å; K417-A421 WeakPolarHBondContact O-CB 3.5Å; K417-A421 PolarHBondContact O-N 2.86Å |
| 418 | A | 96.4 | Very high | 95 | Very high | 63 Ų | 63 | 94 Ų | 94 | 52% | 0.521 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | E414 D415 A421 R422 | E414-A418 WeakPolarHBondContact O-CB 3.35Å; E414-A418 PolarHBondContact O-N 3.22Å; D415-A418 PolarHBondContact O-N 2.96Å; A418-A421 PolarHBondContact O-N 3.34Å; A418-R422 PolarHBondContact O-N 2.87Å |
| 419 | E | 96.8 | Very high | 94.6 | Very high | 73 Ų | 73 | 96.7 Ų | 96.7 | 34% | 0.341 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66 | -42.6 | 175.3 | -179.7 | 55.8 | -160.9 | 0 | 0 | 111.8 | D415 L416 K417 A421 R422 L423 | D415-E419 WeakPolarHBondContact O-CB 3.31Å; D415-E419 PolarHBondContact O-N 2.83Å; L416-E419 PolarHBondContact O-N 2.93Å; K417-E419 VanDerWaalsContact C-N 3.34Å; E419-A421 VanDerWaalsContact C-N 3.35Å; E419-A421 PolarHBondContact O-N 2.85Å; E419-R422 CarbonylContact O-C 3.59Å; E419-R422 WeakPolarHBondContact O-CA 3.38Å; E419-R422 VanDerWaalsContact O-CB 3.28Å; E419-R422 WeakPolarHBondContact O-CB 3.4Å; E419-R422 PolarHBondContact O-N 3.49Å; E419-R422 IonicContact OE1-CZ 3.34Å; E419-R422 IonicContact OE1-NE 3.24Å; E419-R422 PolarHBondContact OE1-NE 2.85Å; E419-R422 IonicContact OE1-NH2 2.65Å; E419-R422 PolarHBondContact OE1-NH2 3.36Å; E419-R422 IonicContact OE2-CZ 3.64Å; E419-R422 IonicContact OE2-NE 2.77Å; E419-R422 PolarHBondContact OE2-NE 3.3Å; E419-R422 IonicContact OE2-NH2 3.66Å; E419-L423 HydrophobicContact CG-CD1 4.27Å; E419-L423 WeakPolarHBondContact O-CG 3.29Å; E419-L423 PolarHBondContact O-N 3.34Å |
| 420 | N | 94.1 | Very high | 94 | Very high | 103 Ų | 103 | 100.6 Ų | 100.6 | 55% | 0.551 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64 | -41.6 | 177 | -157.6 | -15.2 | 0 | 0 | 0 | 111 | L416 K417 R422 L423 Q424 | L416-N420 VanDerWaalsContact O-CB 3.22Å; L416-N420 WeakPolarHBondContact O-CB 3.37Å; L416-N420 PolarHBondContact O-N 2.91Å; K417-N420 PolarHBondContact O-N 3.36Å; N420-R422 VanDerWaalsContact C-N 3.28Å; N420-R422 PolarHBondContact O-N 2.85Å; N420-L423 PolarHBondContact O-N 3.29Å; N420-Q424 WeakPolarHBondContact O-CB 3.42Å; N420-Q424 PolarHBondContact O-N 3.17Å |
| 421 | A | 96.4 | Very high | 93.3 | Very high | 40 Ų | 40 | 100.6 Ų | 100.6 | 33% | 0.331 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -35.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K417 A418 E419 R425 | K417-A421 WeakPolarHBondContact O-CB 3.5Å; K417-A421 PolarHBondContact O-N 2.86Å; A418-A421 PolarHBondContact O-N 3.34Å; E419-A421 VanDerWaalsContact C-N 3.35Å; E419-A421 PolarHBondContact O-N 2.85Å; A421-R425 VanDerWaalsContact O-CG 3.27Å; A421-R425 WeakPolarHBondContact O-CG 3.2Å; A421-R425 PolarHBondContact O-N 3.39Å; A421-R425 PolarHBondContact O-NH1 2.98Å |
| 422 | R | 95 | Very high | 92.5 | Very high | 120 Ų | 120 | 107.7 Ų | 107.7 | 45% | 0.453 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.4 | -48.6 | 173.4 | -168 | -169.6 | 73.3 | 82.1 | 1.7 | 111.3 | A418 E419 N420 R425 V426 | A418-R422 PolarHBondContact O-N 2.87Å; E419-R422 CarbonylContact O-C 3.59Å; E419-R422 WeakPolarHBondContact O-CA 3.38Å; E419-R422 VanDerWaalsContact O-CB 3.28Å; E419-R422 WeakPolarHBondContact O-CB 3.4Å; E419-R422 PolarHBondContact O-N 3.49Å; E419-R422 IonicContact OE1-CZ 3.34Å; E419-R422 IonicContact OE1-NE 3.24Å; E419-R422 PolarHBondContact OE1-NE 2.85Å; E419-R422 IonicContact OE1-NH2 2.65Å; E419-R422 PolarHBondContact OE1-NH2 3.36Å; E419-R422 IonicContact OE2-CZ 3.64Å; E419-R422 IonicContact OE2-NE 2.77Å; E419-R422 PolarHBondContact OE2-NE 3.3Å; E419-R422 IonicContact OE2-NH2 3.66Å; N420-R422 VanDerWaalsContact C-N 3.28Å; N420-R422 PolarHBondContact O-N 2.85Å; R422-R425 PolarHBondContact O-N 3.4Å; R422-V426 WeakPolarHBondContact O-CG2 3.47Å; R422-V426 PolarHBondContact O-N 3.44Å; R422-V426 VanDerWaalsContact O-N 3.11Å |
| 423 | L | 94.9 | Very high | 91.2 | Very high | 77 Ų | 77 | 104.5 Ų | 104.5 | 40% | 0.403 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 178.4 | -69.3 | 174.2 | 0 | 0 | 0 | 111.8 | E419 N420 R425 V426 V427 | E419-L423 HydrophobicContact CG-CD1 4.27Å; E419-L423 WeakPolarHBondContact O-CG 3.29Å; E419-L423 PolarHBondContact O-N 3.34Å; N420-L423 PolarHBondContact O-N 3.29Å; L423-R425 VanDerWaalsContact C-N 3.32Å; L423-R425 PolarHBondContact O-N 3.35Å; L423-V426 CarbonylContact O-C 3.56Å; L423-V426 WeakPolarHBondContact O-CA 3.26Å; L423-V426 WeakPolarHBondContact O-CB 3.45Å; L423-V426 PolarHBondContact O-N 3.48Å; L423-V427 WeakPolarHBondContact O-CG2 3.49Å; L423-V427 PolarHBondContact O-N 2.8Å |
| 424 | Q | 94.1 | Very high | 89.3 | Confident | 98 Ų | 98 | 103.6 Ų | 103.6 | 46% | 0.458 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56.9 | -46.1 | 175.1 | -170.6 | 62.4 | 47.4 | 0 | 0 | 111.1 | N420 V426 V427 D428 | N420-Q424 WeakPolarHBondContact O-CB 3.42Å; N420-Q424 PolarHBondContact O-N 3.17Å; Q424-V426 VanDerWaalsContact C-N 3.26Å; Q424-V426 PolarHBondContact O-N 2.87Å; Q424-V427 PolarHBondContact O-N 2.89Å; Q424-D428 PolarHBondContact NE2-OD1 3.43Å; Q424-D428 PolarHBondContact O-N 2.83Å |
| 425 | R | 91.8 | Very high | 87.3 | Confident | 151 Ų | 151 | 102.5 Ų | 102.5 | 57% | 0.57 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.9 | -30.9 | 174.8 | -66.8 | 176.1 | -155 | 115.1 | -6.7 | 112.9 | A421 R422 L423 K429 | A421-R425 VanDerWaalsContact O-CG 3.27Å; A421-R425 WeakPolarHBondContact O-CG 3.2Å; A421-R425 PolarHBondContact O-N 3.39Å; A421-R425 PolarHBondContact O-NH1 2.98Å; R422-R425 PolarHBondContact O-N 3.4Å; L423-R425 VanDerWaalsContact C-N 3.32Å; L423-R425 PolarHBondContact O-N 3.35Å; R425-K429 VanDerWaalsContact O-CG 3.25Å; R425-K429 WeakPolarHBondContact O-CG 3.46Å; R425-K429 PolarHBondContact O-N 3.12Å |
| 426 | V | 92.8 | Very high | 85.1 | Confident | 71 Ų | 71 | 104.4 Ų | 104.4 | 43% | 0.43 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -72.3 | -44.3 | 175.8 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | R422 L423 Q424 K429 Y430 | R422-V426 WeakPolarHBondContact O-CG2 3.47Å; R422-V426 PolarHBondContact O-N 3.44Å; R422-V426 VanDerWaalsContact O-N 3.11Å; L423-V426 CarbonylContact O-C 3.56Å; L423-V426 WeakPolarHBondContact O-CA 3.26Å; L423-V426 WeakPolarHBondContact O-CB 3.45Å; L423-V426 PolarHBondContact O-N 3.48Å; Q424-V426 VanDerWaalsContact C-N 3.26Å; Q424-V426 PolarHBondContact O-N 2.87Å; V426-K429 WeakPolarHBondContact O-CB 3.29Å; V426-K429 PolarHBondContact O-N 3.44Å; V426-Y430 PolarHBondContact O-N 2.91Å |
| 427 | V | 90.5 | Very high | 82.8 | Confident | 68 Ų | 68 | 104.7 Ų | 104.7 | 41% | 0.412 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.4 | -46 | 175.5 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | L423 Q424 K429 Y430 N431 | L423-V427 WeakPolarHBondContact O-CG2 3.49Å; L423-V427 PolarHBondContact O-N 2.8Å; Q424-V427 PolarHBondContact O-N 2.89Å; V427-K429 PolarHBondContact O-N 2.91Å; V427-Y430 PolarHBondContact O-N 3.42Å; V427-Y430 VanDerWaalsContact O-N 3.1Å; V427-N431 WeakPolarHBondContact CG1-ND2 3.37Å; V427-N431 WeakPolarHBondContact O-CB 3.48Å; V427-N431 PolarHBondContact O-N 2.88Å |
| 428 | D | 87.5 | Confident | 80.2 | Confident | 67 Ų | 67 | 100.9 Ų | 100.9 | 36% | 0.358 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.1 | -34.5 | 178.4 | -65.3 | -20.1 | 0 | 0 | 0 | 112.1 | Q424 R432 | Q424-D428 PolarHBondContact NE2-OD1 3.43Å; Q424-D428 PolarHBondContact O-N 2.83Å; D428-R432 WeakPolarHBondContact O-CB 3.43Å; D428-R432 VanDerWaalsContact O-CG 3.24Å; D428-R432 WeakPolarHBondContact O-CG 3.33Å; D428-R432 PolarHBondContact O-N 2.73Å; D428-R432 VanDerWaalsContact O-N 3.16Å |
| 429 | K | 87.9 | Confident | 77.7 | Confident | 153 Ų | 153 | 104.7 Ų | 104.7 | 67% | 0.665 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.1 | -43.3 | 173.5 | -73.7 | 171 | -174.8 | -177.3 | 0 | 112 | R425 V426 V427 R432 G433 | R425-K429 VanDerWaalsContact O-CG 3.25Å; R425-K429 WeakPolarHBondContact O-CG 3.46Å; R425-K429 PolarHBondContact O-N 3.12Å; V426-K429 WeakPolarHBondContact O-CB 3.29Å; V426-K429 PolarHBondContact O-N 3.44Å; V427-K429 PolarHBondContact O-N 2.91Å; K429-R432 PolarHBondContact O-N 2.99Å; K429-G433 PolarHBondContact O-N 3.09Å |
| 430 | Y | 84.1 | Confident | 75 | Confident | 170 Ų | 170 | 105.4 Ų | 105.4 | 67% | 0.667 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64 | -45.3 | 177.8 | -174.4 | -95.2 | 0 | 0 | 0 | 111.4 | V426 V427 R432 G433 S434 | V426-Y430 PolarHBondContact O-N 2.91Å; V427-Y430 PolarHBondContact O-N 3.42Å; V427-Y430 VanDerWaalsContact O-N 3.1Å; Y430-R432 VanDerWaalsContact C-N 3.3Å; Y430-R432 PolarHBondContact O-N 3.14Å; Y430-G433 CarbonylContact O-C 3.54Å; Y430-G433 PolarHBondContact O-N 2.82Å; Y430-G433 VanDerWaalsContact O-N 3.09Å; Y430-S434 WeakPolarHBondContact O-CB 3.13Å; Y430-S434 PolarHBondContact O-N 2.87Å |
| 431 | N | 83.7 | Confident | 72.6 | Confident | 94 Ų | 94 | 106.2 Ų | 106.2 | 50% | 0.503 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.7 | -37.2 | 177.5 | -71.2 | -17.5 | 0 | 0 | 0 | 112.2 | V427 | V427-N431 WeakPolarHBondContact CG1-ND2 3.37Å; V427-N431 WeakPolarHBondContact O-CB 3.48Å; V427-N431 PolarHBondContact O-N 2.88Å |
| 432 | R | 78.2 | Confident | 70 | Confident | 208 Ų | 208 | 109.2 Ų | 109.2 | 79% | 0.785 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.9 | -37.1 | 172.8 | -72.6 | 174.1 | -170.1 | -115.4 | 3.5 | 112.6 | D428 K429 Y430 | D428-R432 WeakPolarHBondContact O-CB 3.43Å; D428-R432 VanDerWaalsContact O-CG 3.24Å; D428-R432 WeakPolarHBondContact O-CG 3.33Å; D428-R432 PolarHBondContact O-N 2.73Å; D428-R432 VanDerWaalsContact O-N 3.16Å; K429-R432 PolarHBondContact O-N 2.99Å; Y430-R432 VanDerWaalsContact C-N 3.3Å; Y430-R432 PolarHBondContact O-N 3.14Å |
| 433 | G | 70.8 | Confident | 67.6 | Low | 63 Ų | 63 | 110.3 Ų | 110.3 | 65% | 0.649 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -74.7 | -26 | 179 | 0 | 0 | 0 | 0 | 0 | 114.5 | K429 Y430 V435 | K429-G433 PolarHBondContact O-N 3.09Å; Y430-G433 CarbonylContact O-C 3.54Å; Y430-G433 PolarHBondContact O-N 2.82Å; Y430-G433 VanDerWaalsContact O-N 3.09Å; G433-V435 VanDerWaalsContact C-N 3.31Å; G433-V435 PolarHBondContact O-N 3.35Å |
| 434 | S | 56.3 | Low | 65.3 | Low | 71 Ų | 71 | 118.3 Ų | 118.3 | 50% | 0.497 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.3 | -5.2 | -179.6 | -171.5 | 0 | 0 | 0 | 0 | 114 | Y430 I436 | Y430-S434 WeakPolarHBondContact O-CB 3.13Å; Y430-S434 PolarHBondContact O-N 2.87Å; S434-I436 PolarHBondContact O-N 3.19Å |
| 435 | V | 53.3 | Low | 63 | Low | 109 Ų | 109 | 121.8 Ų | 121.8 | 66% | 0.661 | 67% | 0.67 | S | S | * | * | trans | -75.1 | 75.4 | 171.6 | -171.3 | 0 | 0 | 0 | 0 | 108.3 | G433 P437 | G433-V435 VanDerWaalsContact C-N 3.31Å; G433-V435 PolarHBondContact O-N 3.35Å; V435-P437 VanDerWaalsContact O-CD 3.32Å; V435-P437 WeakPolarHBondContact O-CD 3.31Å | ||
| 436 | I | 50 | Low | 60.9 | Low | 142 Ų | 142 | 119.4 Ų | 119.4 | 73% | 0.728 | 68% | 0.682 | S | S | * | * | trans | -65.9 | 117.9 | 162.4 | -61.8 | 177.7 | 0 | 0 | 0 | 105.9 | S434 G438 | S434-I436 PolarHBondContact O-N 3.19Å; I436-G438 PolarHBondContact O-N 3Å | ||
| 437 | P | 47.5 | Very low | 58.7 | Low | 126 Ų | 126 | 123.6 Ų | 123.6 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -76.2 | 90.9 | 178.5 | 30.3 | -29.6 | 0 | 0 | 0 | 108 | V435 | V435-P437 VanDerWaalsContact O-CD 3.32Å; V435-P437 WeakPolarHBondContact O-CD 3.31Å |
| 438 | G | 43 | Very low | 56.5 | Low | 51 Ų | 51 | 126.4 Ų | 126.4 | 53% | 0.526 | 71% | 0.71 | S | S | . | * | trans | 149.1 | 87.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | I436 | I436-G438 PolarHBondContact O-N 3Š| ||
| 439 | T | 43.1 | Very low | 54.6 | Low | 144 Ų | 144 | 128.7 Ų | 128.7 | 88% | 0.883 | 73% | 0.731 | S | S | * | * | trans | 170.3 | 112.5 | 131.2 | 32.5 | 0 | 0 | 0 | 0 | 106.7 | S441 | T439-S441 PolarHBondContact O-N 3.37Š| ||
| 440 | G | 40 | Very low | 52.6 | Low | 88 Ų | 88 | 126.8 Ų | 126.8 | 91% | 0.907 | 74% | 0.737 | S | S | * | * | trans | -62.9 | 126.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 441 | S | 43.9 | Very low | 50.9 | Low | 119 Ų | 119 | 124.7 Ų | 124.7 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | trans | -145.4 | 121.7 | 151.7 | -168.3 | 0 | 0 | 0 | 0 | 108.3 | T439 | T439-S441 PolarHBondContact O-N 3.37Š| ||
| 442 | S | 42.5 | Very low | 49.1 | Very low | 103 Ų | 103 | 127.1 Ų | 127.1 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | trans | -58.2 | 142.7 | -173.1 | -57.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 443 | I | 44.3 | Very low | 47.4 | Very low | 144 Ų | 144 | 132.6 Ų | 132.6 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | 42.2 | 108.1 | 131.7 | -67.2 | 160 | 0 | 0 | 0 | 115.8 | ||||
| 444 | R | 45.9 | Very low | 46.2 | Very low | 244 Ų | 244 | 136.1 Ų | 136.1 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | -142.4 | 88.9 | 129.1 | -69.6 | -163 | 179.8 | -167.6 | -1.6 | 109.4 | A446 | R444-A446 VanDerWaalsContact C-N 3.28Å; R444-A446 PolarHBondContact O-N 3.37Å | |||
| 445 | Q | 46.7 | Very low | 45.7 | Very low | 172 Ų | 172 | 139.5 Ų | 139.5 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -62.8 | 94.4 | 154.8 | -79.6 | 171.9 | -25.7 | 0 | 0 | 107.2 | H447 | Q445-H447 PolarHBondContact O-N 2.93Š| ||
| 446 | A | 47.9 | Very low | 45.3 | Very low | 100 Ų | 100 | 141.2 Ų | 141.2 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | -83.8 | 81.8 | 157.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | R444 | R444-A446 VanDerWaalsContact C-N 3.28Å; R444-A446 PolarHBondContact O-N 3.37Å | ||
| 447 | H | 45.6 | Very low | 45 | Very low | 160 Ų | 160 | 141.2 Ų | 141.2 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | trans | -68.8 | 123.8 | 168 | -135.1 | -88.9 | 0 | 0 | 0 | 107.4 | Q445 | Q445-H447 PolarHBondContact O-N 2.93Š| ||
| 448 | D | 43.9 | Very low | 44.8 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 67% | 0.674 | 81% | 0.808 | S | S | * | * | trans | 66.2 | 105.2 | 137.1 | -158.7 | 11.2 | 0 | 0 | 0 | 119.4 | ||||
| 449 | S | 48.7 | Very low | 45 | Very low | 116 Ų | 116 | 148.2 Ų | 148.2 | 81% | 0.811 | 83% | 0.827 | S | S | * | * | trans | -173.1 | 93.8 | 138.3 | 61.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 450 | S | 45.7 | Very low | 45.1 | Very low | 113 Ų | 113 | 148.5 Ų | 148.5 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | trans | -171 | 56.5 | 149.3 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 451 | V | 48.5 | Very low | 45.5 | Very low | 126 Ų | 126 | 153.2 Ų | 153.2 | 76% | 0.764 | 82% | 0.816 | S | S | * | * | trans | -84.6 | 98.5 | 152.2 | 175.4 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 452 | N | 44.4 | Very low | 45.6 | Very low | 144 Ų | 144 | 156 Ų | 156 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | trans | 162.9 | 93.4 | 154.8 | -89 | -19.4 | 0 | 0 | 0 | 111.3 | ||||
| 453 | R | 43.4 | Very low | 45.9 | Very low | 324 Ų | 324 | 160.8 Ų | 160.8 | 100% | 1.223 | 82% | 0.824 | S | S | * | * | 173.7 | 0 | 125.7 | -99.3 | -178.7 | -176.7 | -160.1 | 1.1 | 111.7 |
Retrieved 453 of 453 residues in 110.1 ms
(Link to these results)