| 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 | 38.4 | Very low | 41.8 | Very low | 237 Ų | 237 | 154.3 Ų | 154.3 | 100% | 1.167 | 75% | 0.749 | S | S | * | * | 0 | 107.9 | 0 | -84.6 | -178 | -176.3 | 0 | 0 | 108.1 | |||||
| 2 | V | 36.9 | Very low | 42.1 | Very low | 141 Ų | 141 | 144.8 Ų | 144.8 | 86% | 0.855 | 71% | 0.707 | S | S | * | * | trans | -103.2 | 107.9 | 171.3 | -179.9 | 0 | 0 | 0 | 0 | 106.2 | T4 | V2-T4 PolarHBondContact O-N 3.02Š| ||
| 3 | R | 41 | Very low | 42.3 | Very low | 197 Ų | 197 | 139 Ų | 139 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | trans | -76.7 | 117.5 | 174.4 | -84.2 | 179.9 | 173.4 | 162.1 | -1.9 | 108.2 | Y5 | R3-Y5 HydrophobicContact CB-CD2 4.47Å; R3-Y5 HydrophobicContact CB-CE2 4.1Å; R3-Y5 PolarHBondContact O-N 2.86Å | ||
| 4 | T | 40.5 | Very low | 42.5 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 86% | 0.859 | 68% | 0.678 | S | S | * | * | trans | -73.3 | 103.8 | 171.1 | 37.9 | 0 | 0 | 0 | 0 | 109.5 | V2 | V2-T4 PolarHBondContact O-N 3.02Š| ||
| 5 | Y | 41.4 | Very low | 42.6 | Very low | 195 Ų | 195 | 135 Ų | 135 | 77% | 0.765 | 67% | 0.672 | S | S | * | * | trans | -79.3 | 129.4 | 167.7 | -76.6 | -90.2 | 0 | 0 | 0 | 109.1 | R3 | R3-Y5 HydrophobicContact CB-CD2 4.47Å; R3-Y5 HydrophobicContact CB-CE2 4.1Å; R3-Y5 PolarHBondContact O-N 2.86Å | ||
| 6 | R | 43.5 | Very low | 42.6 | Very low | 244 Ų | 244 | 131.7 Ų | 131.7 | 92% | 0.921 | 66% | 0.664 | S | S | * | * | trans | -59.7 | 134.1 | 175.1 | -74.7 | -177.4 | 172.3 | -177.5 | -3.6 | 109.8 | N8 | R6-N8 PolarHBondContact O-N 3.46Š| ||
| 7 | Y | 39.1 | Very low | 42.5 | Very low | 195 Ų | 195 | 130.5 Ų | 130.5 | 77% | 0.765 | 66% | 0.66 | S | S | * | * | trans | -56.9 | 112.3 | -175.1 | -153.8 | -99.3 | 0 | 0 | 0 | 111.1 | T12 | Y7-T12 HydrophobicContact CD2-CG2 4.37Å; Y7-T12 HydrophobicContact CE2-CG2 4.19Å | ||
| 8 | N | 45.7 | Very low | 42.5 | Very low | 80 Ų | 80 | 126.8 Ų | 126.8 | 43% | 0.428 | 65% | 0.652 | S | S | . | * | trans | -113.2 | 105.9 | 168.6 | -171.9 | -12.6 | 0 | 0 | 0 | 107.7 | R6 A10 L11 T12 | R6-N8 PolarHBondContact O-N 3.46Å; N8-A10 PolarHBondContact O-N 3.38Å; N8-A10 VanDerWaalsContact O-N 3.11Å; N8-L11 HydrophobicContact CB-CB 4.3Å; N8-L11 HydrophobicContact CB-CD1 4.1Å; N8-L11 HydrophobicContact CB-CG 4.38Å; N8-L11 PolarHBondContact O-N 3.42Å; N8-T12 PolarHBondContact O-N 3.48Å | ||
| 9 | P | 47 | Very low | 42.9 | Very low | 90 Ų | 90 | 126.4 Ų | 126.4 | 58% | 0.584 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -62.2 | -22.2 | -170.2 | 20.5 | -29.8 | 0 | 0 | 0 | 114 | T12 | P9-T12 VanDerWaalsContact CA-OG1 3.29Å; P9-T12 WeakPolarHBondContact CA-OG1 3.5Å; P9-T12 PolarHBondContact O-OG1 2.64Å; P9-T12 VanDerWaalsContact O-OG1 3.09Å |
| 10 | A | 42.8 | Very low | 43.1 | Very low | 71 Ų | 71 | 122.7 Ų | 122.7 | 59% | 0.587 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -77.8 | -28.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | N8 | N8-A10 PolarHBondContact O-N 3.38Å; N8-A10 VanDerWaalsContact O-N 3.11Å |
| 11 | L | 43.3 | Very low | 43.4 | Very low | 107 Ų | 107 | 125.1 Ų | 125.1 | 56% | 0.56 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -82.3 | -33.7 | 174.2 | -71.2 | 172.4 | 0 | 0 | 0 | 110.9 | N8 S13 T14 F15 | N8-L11 HydrophobicContact CB-CB 4.3Å; N8-L11 HydrophobicContact CB-CD1 4.1Å; N8-L11 HydrophobicContact CB-CG 4.38Å; N8-L11 PolarHBondContact O-N 3.42Å; L11-S13 VanDerWaalsContact C-N 3.34Å; L11-S13 PolarHBondContact O-N 2.71Å; L11-T14 PolarHBondContact O-OG1 2.75Å; L11-F15 VanDerWaalsContact O-CB 3.27Å; L11-F15 WeakPolarHBondContact O-CB 3.46Å; L11-F15 PolarHBondContact O-N 2.73Å |
| 12 | T | 45.3 | Very low | 43.8 | Very low | 41 Ų | 41 | 114.8 Ų | 114.8 | 25% | 0.252 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.3 | -28.1 | -179.2 | 51.3 | 0 | 0 | 0 | 0 | 113.5 | Y7 N8 P9 C16 | Y7-T12 HydrophobicContact CD2-CG2 4.37Å; Y7-T12 HydrophobicContact CE2-CG2 4.19Å; N8-T12 PolarHBondContact O-N 3.48Å; P9-T12 VanDerWaalsContact CA-OG1 3.29Å; P9-T12 WeakPolarHBondContact CA-OG1 3.5Å; P9-T12 PolarHBondContact O-OG1 2.64Å; P9-T12 VanDerWaalsContact O-OG1 3.09Å; T12-C16 WeakPolarHBondContact O-CB 3.38Å; T12-C16 PolarHBondContact O-N 3.07Å; T12-C16 PolarHBondContact O-SG 3.32Å |
| 13 | S | 45.3 | Very low | 44.5 | Very low | 69 Ų | 69 | 110.7 Ų | 110.7 | 48% | 0.483 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -71.8 | -40.9 | 179.8 | 90.9 | 0 | 0 | 0 | 0 | 112.9 | L11 L17 | L11-S13 VanDerWaalsContact C-N 3.34Å; L11-S13 PolarHBondContact O-N 2.71Å; S13-L17 WeakPolarHBondContact O-CB 3.47Å; S13-L17 WeakPolarHBondContact O-CG 3.26Å; S13-L17 PolarHBondContact O-N 3.05Å; S13-L17 VanDerWaalsContact O-N 3.09Å |
| 14 | T | 45.6 | Very low | 44.9 | Very low | 86 Ų | 86 | 107.4 Ų | 107.4 | 53% | 0.528 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -76.8 | -36.7 | 176.6 | 50.7 | 0 | 0 | 0 | 0 | 111.7 | L11 A18 | L11-T14 PolarHBondContact O-OG1 2.75Å; T14-A18 WeakPolarHBondContact O-CB 3.45Å; T14-A18 PolarHBondContact O-N 3.15Å |
| 15 | F | 42.8 | Very low | 45.4 | Very low | 132 Ų | 132 | 105.8 Ų | 105.8 | 58% | 0.579 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65 | -44.1 | 173.3 | -129.1 | -103.7 | 0 | 0 | 0 | 111.1 | L11 A18 H19 | L11-F15 VanDerWaalsContact O-CB 3.27Å; L11-F15 WeakPolarHBondContact O-CB 3.46Å; L11-F15 PolarHBondContact O-N 2.73Å; F15-A18 PolarHBondContact O-N 3.18Å; F15-H19 AromaticContact CD1-CD2 3.27Å; F15-H19 WeakPolarHBondContact CD1-CD2 3.39Å; F15-H19 AromaticContact CD1-NE2 3.34Å; F15-H19 VanDerWaalsContact CD1-NE2 3.34Å; F15-H19 WeakPolarHBondContact CD1-NE2 3.35Å; F15-H19 AromaticContact CE1-CD2 3.6Å; F15-H19 AromaticContact CE1-NE2 3.1Å; F15-H19 WeakPolarHBondContact CE1-NE2 3.48Å; F15-H19 VanDerWaalsContact O-CB 3.28Å; F15-H19 WeakPolarHBondContact O-CB 3.34Å; F15-H19 PolarHBondContact O-CD2 3.42Å; F15-H19 PolarHBondContact O-N 3.45Å |
| 16 | C | 42.4 | Very low | 45.6 | Very low | 82 Ų | 82 | 103.9 Ų | 103.9 | 55% | 0.554 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67 | -37 | 178.3 | -71.6 | 0 | 0 | 0 | 0 | 112.4 | T12 H19 A20 | T12-C16 WeakPolarHBondContact O-CB 3.38Å; T12-C16 PolarHBondContact O-N 3.07Å; T12-C16 PolarHBondContact O-SG 3.32Å; C16-H19 PolarHBondContact O-N 3.4Å; C16-A20 WeakPolarHBondContact O-CB 3.23Å; C16-A20 PolarHBondContact O-N 3.45Å |
| 17 | L | 41.4 | Very low | 45.9 | Very low | 112 Ų | 112 | 99.3 Ų | 99.3 | 59% | 0.586 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.5 | -40 | 175.1 | -82.9 | 162.5 | 0 | 0 | 0 | 112.6 | S13 R21 | S13-L17 WeakPolarHBondContact O-CB 3.47Å; S13-L17 WeakPolarHBondContact O-CG 3.26Å; S13-L17 PolarHBondContact O-N 3.05Å; S13-L17 VanDerWaalsContact O-N 3.09Å; L17-R21 WeakPolarHBondContact O-CB 3.49Å; L17-R21 PolarHBondContact O-N 3.01Å |
| 18 | A | 43.4 | Very low | 46.6 | Very low | 64 Ų | 64 | 93.6 Ų | 93.6 | 53% | 0.529 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.6 | -35.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T14 F15 G22 | T14-A18 WeakPolarHBondContact O-CB 3.45Å; T14-A18 PolarHBondContact O-N 3.15Å; F15-A18 PolarHBondContact O-N 3.18Å; A18-G22 PolarHBondContact O-N 3.25Å |
| 19 | H | 49.7 | Very low | 46.6 | Very low | 119 Ų | 119 | 94.3 Ų | 94.3 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -73 | -34.8 | 174.2 | -88 | -86.1 | 0 | 0 | 0 | 112.9 | F15 C16 G22 A23 | F15-H19 AromaticContact CD1-CD2 3.27Å; F15-H19 WeakPolarHBondContact CD1-CD2 3.39Å; F15-H19 AromaticContact CD1-NE2 3.34Å; F15-H19 VanDerWaalsContact CD1-NE2 3.34Å; F15-H19 WeakPolarHBondContact CD1-NE2 3.35Å; F15-H19 AromaticContact CE1-CD2 3.6Å; F15-H19 AromaticContact CE1-NE2 3.1Å; F15-H19 WeakPolarHBondContact CE1-NE2 3.48Å; F15-H19 VanDerWaalsContact O-CB 3.28Å; F15-H19 WeakPolarHBondContact O-CB 3.34Å; F15-H19 PolarHBondContact O-CD2 3.42Å; F15-H19 PolarHBondContact O-N 3.45Å; C16-H19 PolarHBondContact O-N 3.4Å; H19-G22 PolarHBondContact O-N 2.97Å; H19-A23 VanDerWaalsContact O-CB 3.32Å; H19-A23 WeakPolarHBondContact O-CB 3.43Å; H19-A23 PolarHBondContact O-N 3.35Å |
| 20 | A | 46.2 | Very low | 46.6 | Very low | 51 Ų | 51 | 92.6 Ų | 92.6 | 42% | 0.421 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.4 | -46.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | C16 G22 A23 E24 | C16-A20 WeakPolarHBondContact O-CB 3.23Å; C16-A20 PolarHBondContact O-N 3.45Å; A20-G22 VanDerWaalsContact C-N 3.34Å; A20-G22 PolarHBondContact O-N 2.86Å; A20-A23 PolarHBondContact O-N 2.77Å; A20-E24 PolarHBondContact O-N 3.19Å |
| 21 | R | 50.8 | Low | 47.2 | Very low | 175 Ų | 175 | 94.8 Ų | 94.8 | 66% | 0.66 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.8 | -43.6 | 171.5 | -76.4 | -175.4 | 178.9 | 170.7 | 0.5 | 111.8 | L17 A23 E24 D25 | L17-R21 WeakPolarHBondContact O-CB 3.49Å; L17-R21 PolarHBondContact O-N 3.01Å; R21-A23 VanDerWaalsContact C-N 3.3Å; R21-A23 PolarHBondContact O-N 3.47Å; R21-E24 PolarHBondContact O-N 2.98Å; R21-D25 WeakPolarHBondContact O-CB 3.4Å; R21-D25 PolarHBondContact O-N 2.89Å |
| 22 | G | 46.5 | Very low | 48 | Very low | 19 Ų | 19 | 94.7 Ų | 94.7 | 20% | 0.196 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -59.3 | -39.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A18 H19 A20 D25 F26 | A18-G22 PolarHBondContact O-N 3.25Å; H19-G22 PolarHBondContact O-N 2.97Å; A20-G22 VanDerWaalsContact C-N 3.34Å; A20-G22 PolarHBondContact O-N 2.86Å; G22-D25 PolarHBondContact O-N 2.67Å; G22-F26 WeakPolarHBondContact O-CB 3.44Å; G22-F26 WeakPolarHBondContact O-CD2 3.5Å; G22-F26 WeakPolarHBondContact O-CG 3.43Å; G22-F26 PolarHBondContact O-N 3.03Å |
| 23 | A | 50.1 | Low | 49 | Very low | 56 Ų | 56 | 96.2 Ų | 96.2 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.4 | -41.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | H19 A20 R21 F26 Q27 | H19-A23 VanDerWaalsContact O-CB 3.32Å; H19-A23 WeakPolarHBondContact O-CB 3.43Å; H19-A23 PolarHBondContact O-N 3.35Å; A20-A23 PolarHBondContact O-N 2.77Å; R21-A23 VanDerWaalsContact C-N 3.3Å; R21-A23 PolarHBondContact O-N 3.47Å; A23-F26 PolarHBondContact O-N 3.03Å; A23-Q27 WeakPolarHBondContact O-CB 3.27Å; A23-Q27 PolarHBondContact O-N 3.17Å |
| 24 | E | 49.6 | Very low | 50.1 | Low | 127 Ų | 127 | 98 Ų | 98 | 59% | 0.593 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.9 | -44.1 | 172.1 | -72.1 | 177.7 | 179.5 | 0 | 0 | 111.1 | A20 R21 F26 Q27 T28 | A20-E24 PolarHBondContact O-N 3.19Å; R21-E24 PolarHBondContact O-N 2.98Å; E24-F26 PolarHBondContact O-N 2.95Å; E24-Q27 PolarHBondContact O-N 3.44Å; E24-T28 WeakPolarHBondContact O-CB 3.49Å; E24-T28 PolarHBondContact O-N 3.32Å; E24-T28 PolarHBondContact O-OG1 3.14Å |
| 25 | D | 52.3 | Low | 51.4 | Low | 107 Ų | 107 | 98.2 Ų | 98.2 | 57% | 0.572 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.9 | -44.6 | 175.6 | -69.3 | -23.4 | 0 | 0 | 0 | 111 | R21 G22 Q27 T28 L29 | R21-D25 WeakPolarHBondContact O-CB 3.4Å; R21-D25 PolarHBondContact O-N 2.89Å; G22-D25 PolarHBondContact O-N 2.67Å; D25-Q27 PolarHBondContact O-N 2.77Å; D25-T28 PolarHBondContact O-N 3.29Å; D25-L29 VanDerWaalsContact O-CB 3.24Å; D25-L29 WeakPolarHBondContact O-CB 3.42Å; D25-L29 PolarHBondContact O-N 2.68Å |
| 26 | F | 44.2 | Very low | 52.9 | Low | 154 Ų | 154 | 98.4 Ų | 98.4 | 68% | 0.675 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.1 | -38.6 | 175.9 | -80 | -63.3 | 0 | 0 | 0 | 112.4 | G22 A23 E24 A30 | G22-F26 WeakPolarHBondContact O-CB 3.44Å; G22-F26 WeakPolarHBondContact O-CD2 3.5Å; G22-F26 WeakPolarHBondContact O-CG 3.43Å; G22-F26 PolarHBondContact O-N 3.03Å; A23-F26 PolarHBondContact O-N 3.03Å; E24-F26 PolarHBondContact O-N 2.95Å; F26-A30 WeakPolarHBondContact O-CB 3.44Å; F26-A30 PolarHBondContact O-N 3.07Å |
| 27 | Q | 51.4 | Low | 54.4 | Low | 148 Ų | 148 | 102.2 Ų | 102.2 | 69% | 0.692 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -70.5 | -38 | 178.5 | -164.8 | 168.2 | 9.4 | 0 | 0 | 111.2 | A23 E24 D25 A30 H31 | A23-Q27 WeakPolarHBondContact O-CB 3.27Å; A23-Q27 PolarHBondContact O-N 3.17Å; E24-Q27 PolarHBondContact O-N 3.44Å; D25-Q27 PolarHBondContact O-N 2.77Å; Q27-A30 PolarHBondContact O-N 3Å; Q27-H31 WeakPolarHBondContact O-CB 3.35Å; Q27-H31 PolarHBondContact O-N 2.78Å |
| 28 | T | 52.4 | Low | 56 | Low | 75 Ų | 75 | 100 Ų | 100 | 46% | 0.46 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.4 | -45.5 | 175 | -44.9 | 0 | 0 | 0 | 0 | 110.5 | E24 D25 A30 H31 E32 | E24-T28 WeakPolarHBondContact O-CB 3.49Å; E24-T28 PolarHBondContact O-N 3.32Å; E24-T28 PolarHBondContact O-OG1 3.14Å; D25-T28 PolarHBondContact O-N 3.29Å; T28-A30 PolarHBondContact O-N 3.05Å; T28-H31 WeakPolarHBondContact O-CB 3.46Å; T28-H31 PolarHBondContact O-N 2.92Å; T28-H31 VanDerWaalsContact O-N 3.14Å; T28-E32 WeakPolarHBondContact O-CG 3.37Å; T28-E32 PolarHBondContact O-N 2.84Å |
| 29 | L | 46.7 | Very low | 57.5 | Low | 95 Ų | 95 | 99.8 Ų | 99.8 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64 | -38.1 | 175.5 | -148.8 | 100.2 | 0 | 0 | 0 | 111.9 | D25 H31 E32 T33 | D25-L29 VanDerWaalsContact O-CB 3.24Å; D25-L29 WeakPolarHBondContact O-CB 3.42Å; D25-L29 PolarHBondContact O-N 2.68Å; L29-H31 VanDerWaalsContact C-N 3.33Å; L29-E32 PolarHBondContact O-N 3.31Å; L29-T33 WeakPolarHBondContact O-CB 3.25Å; L29-T33 VanDerWaalsContact O-CG2 3.24Å; L29-T33 WeakPolarHBondContact O-CG2 3.4Å; L29-T33 PolarHBondContact O-N 3.29Å; L29-T33 PolarHBondContact O-OG1 2.91Å |
| 30 | A | 47.1 | Very low | 58.6 | Low | 55 Ų | 55 | 96.3 Ų | 96.3 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.4 | -37.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F26 Q27 T28 T33 H34 | F26-A30 WeakPolarHBondContact O-CB 3.44Å; F26-A30 PolarHBondContact O-N 3.07Å; Q27-A30 PolarHBondContact O-N 3Å; T28-A30 PolarHBondContact O-N 3.05Å; A30-T33 WeakPolarHBondContact CA-OG1 3.46Å; A30-T33 PolarHBondContact O-OG1 2.93Å; A30-H34 VanDerWaalsContact O-CB 3.29Å; A30-H34 WeakPolarHBondContact O-CB 3.45Å; A30-H34 PolarHBondContact O-N 3.49Å |
| 31 | H | 55 | Low | 60 | Low | 116 Ų | 116 | 98.2 Ų | 98.2 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70 | -43.6 | 175.7 | -172.6 | -99.5 | 0 | 0 | 0 | 111.8 | Q27 T28 L29 H34 L35 | Q27-H31 WeakPolarHBondContact O-CB 3.35Å; Q27-H31 PolarHBondContact O-N 2.78Å; T28-H31 WeakPolarHBondContact O-CB 3.46Å; T28-H31 PolarHBondContact O-N 2.92Å; T28-H31 VanDerWaalsContact O-N 3.14Å; L29-H31 VanDerWaalsContact C-N 3.33Å; H31-H34 PolarHBondContact O-N 2.98Å; H31-L35 VanDerWaalsContact CE1-CD1 3.47Å; H31-L35 WeakPolarHBondContact CE1-CD1 3.49Å; H31-L35 WeakPolarHBondContact O-CG 3.4Å; H31-L35 PolarHBondContact O-N 3.42Å |
| 32 | E | 59 | Low | 61.1 | Low | 106 Ų | 106 | 99 Ų | 99 | 50% | 0.495 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.4 | -48.2 | 174.4 | -74.3 | 178.4 | 170.7 | 0 | 0 | 111.4 | T28 L29 H34 L35 E36 | T28-E32 WeakPolarHBondContact O-CG 3.37Å; T28-E32 PolarHBondContact O-N 2.84Å; L29-E32 PolarHBondContact O-N 3.31Å; E32-H34 VanDerWaalsContact C-N 3.3Å; E32-H34 PolarHBondContact O-N 3.27Å; E32-L35 PolarHBondContact O-N 3.22Å; E32-L35 VanDerWaalsContact O-N 3.17Å; E32-E36 WeakPolarHBondContact O-CB 3.4Å; E32-E36 WeakPolarHBondContact O-CG 3.4Å; E32-E36 PolarHBondContact O-N 2.9Å |
| 33 | T | 67.3 | Low | 62.6 | Low | 72 Ų | 72 | 105.8 Ų | 105.8 | 44% | 0.442 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.9 | -33.6 | 176.5 | 53.1 | 0 | 0 | 0 | 0 | 112.6 | L29 A30 R37 | L29-T33 WeakPolarHBondContact O-CB 3.25Å; L29-T33 VanDerWaalsContact O-CG2 3.24Å; L29-T33 WeakPolarHBondContact O-CG2 3.4Å; L29-T33 PolarHBondContact O-N 3.29Å; L29-T33 PolarHBondContact O-OG1 2.91Å; A30-T33 WeakPolarHBondContact CA-OG1 3.46Å; A30-T33 PolarHBondContact O-OG1 2.93Å; T33-R37 VanDerWaalsContact O-CB 3.27Å; T33-R37 WeakPolarHBondContact O-CB 3.49Å; T33-R37 PolarHBondContact O-N 3.15Å |
| 34 | H | 67.7 | Low | 64.1 | Low | 108 Ų | 108 | 110 Ų | 110 | 50% | 0.5 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.1 | -40.9 | 173.5 | -171.6 | -93.1 | 0 | 0 | 0 | 112.1 | A30 H31 E32 R37 L38 | A30-H34 VanDerWaalsContact O-CB 3.29Å; A30-H34 WeakPolarHBondContact O-CB 3.45Å; A30-H34 PolarHBondContact O-N 3.49Å; H31-H34 PolarHBondContact O-N 2.98Å; E32-H34 VanDerWaalsContact C-N 3.3Å; E32-H34 PolarHBondContact O-N 3.27Å; H34-R37 PolarHBondContact O-N 3.13Å; H34-L38 WeakPolarHBondContact O-CG 3.41Å; H34-L38 PolarHBondContact O-N 3.33Å |
| 35 | L | 73.5 | Confident | 65.2 | Low | 90 Ų | 90 | 106.5 Ų | 106.5 | 47% | 0.471 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65 | -42.3 | 174 | -72.9 | 178 | 0 | 0 | 0 | 112 | H31 E32 R37 L38 A39 | H31-L35 VanDerWaalsContact CE1-CD1 3.47Å; H31-L35 WeakPolarHBondContact CE1-CD1 3.49Å; H31-L35 WeakPolarHBondContact O-CG 3.4Å; H31-L35 PolarHBondContact O-N 3.42Å; E32-L35 PolarHBondContact O-N 3.22Å; E32-L35 VanDerWaalsContact O-N 3.17Å; L35-R37 VanDerWaalsContact C-N 3.32Å; L35-R37 PolarHBondContact O-N 3.36Å; L35-L38 PolarHBondContact O-N 3.3Å; L35-A39 WeakPolarHBondContact O-CB 3.5Å; L35-A39 PolarHBondContact O-N 2.93Å |
| 36 | E | 74.5 | Confident | 66.2 | Low | 136 Ų | 136 | 103.9 Ų | 103.9 | 64% | 0.636 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.4 | -41.4 | 173 | -75.7 | -173.4 | 162 | 0 | 0 | 111.5 | E32 A39 S40 | E32-E36 WeakPolarHBondContact O-CB 3.4Å; E32-E36 WeakPolarHBondContact O-CG 3.4Å; E32-E36 PolarHBondContact O-N 2.9Å; E36-A39 PolarHBondContact O-N 3.17Å; E36-S40 WeakPolarHBondContact O-CB 3.42Å; E36-S40 PolarHBondContact O-N 3.32Å |
| 37 | R | 74.3 | Confident | 67.7 | Low | 161 Ų | 161 | 99.2 Ų | 99.2 | 61% | 0.608 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.5 | -47 | 175.9 | -163.2 | 178.4 | -159.1 | 150.8 | 3.8 | 111.1 | T33 H34 L35 A39 S40 E41 | T33-R37 VanDerWaalsContact O-CB 3.27Å; T33-R37 WeakPolarHBondContact O-CB 3.49Å; T33-R37 PolarHBondContact O-N 3.15Å; H34-R37 PolarHBondContact O-N 3.13Å; L35-R37 VanDerWaalsContact C-N 3.32Å; L35-R37 PolarHBondContact O-N 3.36Å; R37-A39 VanDerWaalsContact C-N 3.34Å; R37-A39 PolarHBondContact O-N 2.88Å; R37-S40 WeakPolarHBondContact O-CB 3.47Å; R37-S40 PolarHBondContact O-N 2.68Å; R37-S40 PolarHBondContact O-OG 3.07Å; R37-E41 WeakPolarHBondContact O-CG 3.24Å; R37-E41 PolarHBondContact O-N 2.88Å |
| 38 | L | 75.2 | Confident | 68.7 | Low | 66 Ų | 66 | 94.5 Ų | 94.5 | 35% | 0.346 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 174.9 | -77.7 | 171.6 | 0 | 0 | 0 | 112.1 | H34 L35 E41 R42 | H34-L38 WeakPolarHBondContact O-CG 3.41Å; H34-L38 PolarHBondContact O-N 3.33Å; L35-L38 PolarHBondContact O-N 3.3Å; L38-E41 PolarHBondContact O-N 3.48Å; L38-R42 WeakPolarHBondContact O-CB 3.39Å; L38-R42 WeakPolarHBondContact O-CG 3.24Å; L38-R42 PolarHBondContact O-N 3.45Å |
| 39 | A | 74.6 | Confident | 69.5 | Low | 59 Ų | 59 | 96.9 Ų | 96.9 | 49% | 0.488 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L35 E36 R37 R42 K43 | L35-A39 WeakPolarHBondContact O-CB 3.5Å; L35-A39 PolarHBondContact O-N 2.93Å; E36-A39 PolarHBondContact O-N 3.17Å; R37-A39 VanDerWaalsContact C-N 3.34Å; R37-A39 PolarHBondContact O-N 2.88Å; A39-R42 PolarHBondContact O-N 3.34Å; A39-K43 WeakPolarHBondContact O-CB 3.41Å; A39-K43 PolarHBondContact O-N 3.08Å |
| 40 | S | 72.7 | Confident | 70.6 | Confident | 46 Ų | 46 | 102.4 Ų | 102.4 | 32% | 0.322 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.9 | -38.4 | 176.2 | 86.9 | 0 | 0 | 0 | 0 | 112.3 | E36 R37 K43 K44 | E36-S40 WeakPolarHBondContact O-CB 3.42Å; E36-S40 PolarHBondContact O-N 3.32Å; R37-S40 WeakPolarHBondContact O-CB 3.47Å; R37-S40 PolarHBondContact O-N 2.68Å; R37-S40 PolarHBondContact O-OG 3.07Å; S40-K43 PolarHBondContact O-N 2.94Å; S40-K44 WeakPolarHBondContact O-CG 3.48Å; S40-K44 PolarHBondContact O-N 2.88Å |
| 41 | E | 76.2 | Confident | 71.6 | Confident | 92 Ų | 92 | 109.5 Ų | 109.5 | 43% | 0.43 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.6 | -41.2 | 176.6 | -76 | -177.8 | 175.9 | 0 | 0 | 111.4 | R37 L38 K43 K44 A45 | R37-E41 WeakPolarHBondContact O-CG 3.24Å; R37-E41 PolarHBondContact O-N 2.88Å; L38-E41 PolarHBondContact O-N 3.48Å; E41-K43 PolarHBondContact O-N 2.69Å; E41-K44 PolarHBondContact O-N 2.89Å; E41-A45 WeakPolarHBondContact O-CB 3.39Å; E41-A45 PolarHBondContact O-N 3.06Å |
| 42 | R | 73.8 | Confident | 71.7 | Confident | 191 Ų | 191 | 113 Ų | 113 | 72% | 0.721 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.1 | -43.7 | 171.3 | -75.3 | 177 | 177.8 | 177.1 | 0.9 | 111.8 | L38 A39 K44 A45 A46 | L38-R42 WeakPolarHBondContact O-CB 3.39Å; L38-R42 WeakPolarHBondContact O-CG 3.24Å; L38-R42 PolarHBondContact O-N 3.45Å; A39-R42 PolarHBondContact O-N 3.34Å; R42-K44 PolarHBondContact O-N 3.16Å; R42-A45 PolarHBondContact O-N 2.81Å; R42-A46 WeakPolarHBondContact O-CB 2.9Å; R42-A46 PolarHBondContact O-N 3.17Å |
| 43 | K | 78.1 | Confident | 71.1 | Confident | 161 Ų | 161 | 114.9 Ų | 114.9 | 70% | 0.7 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.7 | -41.5 | 175.9 | -168.6 | 173.9 | -178.2 | 175.7 | 0 | 111.5 | A39 S40 E41 T47 | A39-K43 WeakPolarHBondContact O-CB 3.41Å; A39-K43 PolarHBondContact O-N 3.08Å; S40-K43 PolarHBondContact O-N 2.94Å; E41-K43 PolarHBondContact O-N 2.69Å; K43-T47 WeakPolarHBondContact O-CB 3.44Å; K43-T47 PolarHBondContact O-N 2.88Å; K43-T47 PolarHBondContact O-OG1 3.14Å |
| 44 | K | 80.1 | Confident | 69.9 | Low | 145 Ų | 145 | 116.2 Ų | 116.2 | 63% | 0.63 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65 | -43 | 174.3 | -74.8 | 171.3 | -176.6 | 168.4 | 0 | 112.2 | S40 E41 R42 T47 A48 | S40-K44 WeakPolarHBondContact O-CG 3.48Å; S40-K44 PolarHBondContact O-N 2.88Å; E41-K44 PolarHBondContact O-N 2.89Å; R42-K44 PolarHBondContact O-N 3.16Å; K44-T47 PolarHBondContact O-N 2.65Å; K44-A48 WeakPolarHBondContact O-CB 3.44Å; K44-A48 PolarHBondContact O-N 3.45Å |
| 45 | A | 73.2 | Confident | 68.9 | Low | 54 Ų | 54 | 120.1 Ų | 120.1 | 45% | 0.446 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.9 | -44.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E41 R42 T47 A48 L49 | E41-A45 WeakPolarHBondContact O-CB 3.39Å; E41-A45 PolarHBondContact O-N 3.06Å; R42-A45 PolarHBondContact O-N 2.81Å; A45-T47 PolarHBondContact O-N 2.84Å; A45-A48 PolarHBondContact O-N 2.84Å; A45-L49 WeakPolarHBondContact O-CB 3.45Å; A45-L49 PolarHBondContact O-N 2.81Å |
| 46 | A | 73.9 | Confident | 67.4 | Low | 51 Ų | 51 | 126.5 Ų | 126.5 | 42% | 0.421 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.7 | -40.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R42 L49 R50 | R42-A46 WeakPolarHBondContact O-CB 2.9Å; R42-A46 PolarHBondContact O-N 3.17Å; A46-L49 PolarHBondContact O-N 3.35Å; A46-R50 PolarHBondContact O-N 3.4Å |
| 47 | T | 75.1 | Confident | 65.6 | Low | 56 Ų | 56 | 127 Ų | 127 | 34% | 0.344 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.7 | -38.4 | 175.9 | -50.5 | 0 | 0 | 0 | 0 | 111.7 | K43 K44 A45 R50 R51 | K43-T47 WeakPolarHBondContact O-CB 3.44Å; K43-T47 PolarHBondContact O-N 2.88Å; K43-T47 PolarHBondContact O-OG1 3.14Å; K44-T47 PolarHBondContact O-N 2.65Å; A45-T47 PolarHBondContact O-N 2.84Å; T47-R50 PolarHBondContact O-N 2.82Å; T47-R51 WeakPolarHBondContact O-CG 3.34Å; T47-R51 PolarHBondContact O-N 3.46Å |
| 48 | A | 73.3 | Confident | 63.7 | Low | 50 Ų | 50 | 126.5 Ų | 126.5 | 41% | 0.413 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.1 | -38 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K44 A45 R51 R52 | K44-A48 WeakPolarHBondContact O-CB 3.44Å; K44-A48 PolarHBondContact O-N 3.45Å; A45-A48 PolarHBondContact O-N 2.84Å; A48-R51 PolarHBondContact O-N 3.47Å; A48-R52 WeakPolarHBondContact O-CG 3.47Å; A48-R52 PolarHBondContact O-N 3.39Å; A48-R52 VanDerWaalsContact O-N 3.16Å |
| 49 | L | 69.2 | Low | 62 | Low | 125 Ų | 125 | 130.7 Ų | 130.7 | 65% | 0.654 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.1 | -45.8 | 171.9 | -100.8 | 151.6 | 0 | 0 | 0 | 111.7 | A45 A46 R51 R52 Q53 | A45-L49 WeakPolarHBondContact O-CB 3.45Å; A45-L49 PolarHBondContact O-N 2.81Å; A46-L49 PolarHBondContact O-N 3.35Å; L49-R51 VanDerWaalsContact C-N 3.28Å; L49-R51 PolarHBondContact O-N 2.83Å; L49-R52 PolarHBondContact O-N 3.23Å; L49-R52 VanDerWaalsContact O-N 3.1Å; L49-Q53 PolarHBondContact O-N 3.28Å |
| 50 | R | 68.7 | Low | 60.2 | Low | 210 Ų | 210 | 134.9 Ų | 134.9 | 79% | 0.792 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -60 | -35.5 | 174.4 | -79.8 | -169.4 | 174.7 | -174.7 | -1 | 112.8 | A46 T47 R52 | A46-R50 PolarHBondContact O-N 3.4Å; T47-R50 PolarHBondContact O-N 2.82Å; R50-R52 VanDerWaalsContact C-N 3.34Å |
| 51 | R | 67.6 | Low | 58.6 | Low | 205 Ų | 205 | 141.9 Ų | 141.9 | 77% | 0.774 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -73.5 | -21.5 | 175.9 | -74.1 | 179.6 | 178.6 | 157.3 | 0.6 | 114.2 | T47 A48 L49 | T47-R51 WeakPolarHBondContact O-CG 3.34Å; T47-R51 PolarHBondContact O-N 3.46Å; A48-R51 PolarHBondContact O-N 3.47Å; L49-R51 VanDerWaalsContact C-N 3.28Å; L49-R51 PolarHBondContact O-N 2.83Å |
| 52 | R | 57 | Low | 56.8 | Low | 189 Ų | 189 | 142 Ų | 142 | 71% | 0.713 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -90.4 | -13.5 | 178.6 | -75.7 | -178 | 175.4 | -172.7 | -1 | 113.5 | A48 L49 R50 | A48-R52 WeakPolarHBondContact O-CG 3.47Å; A48-R52 PolarHBondContact O-N 3.39Å; A48-R52 VanDerWaalsContact O-N 3.16Å; L49-R52 PolarHBondContact O-N 3.23Å; L49-R52 VanDerWaalsContact O-N 3.1Å; R50-R52 VanDerWaalsContact C-N 3.34Å |
| 53 | Q | 47.4 | Very low | 54.9 | Low | 145 Ų | 145 | 141.7 Ų | 141.7 | 68% | 0.678 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -58.8 | 124 | 168 | -80 | -95.5 | -11.5 | 0 | 0 | 108.1 | L49 K55 | L49-Q53 PolarHBondContact O-N 3.28Å; Q53-K55 PolarHBondContact O-N 3.37Å |
| 54 | P | 41.1 | Very low | 53 | Low | 101 Ų | 101 | 140 Ų | 140 | 66% | 0.656 | 69% | 0.693 | S | S | * | * | trans | -57 | 128.6 | 177.3 | 21.9 | -29.2 | 0 | 0 | 0 | 108 | R56 | P54-R56 PolarHBondContact O-N 2.99Š| ||
| 55 | K | 46.7 | Very low | 50.6 | Low | 190 Ų | 190 | 142.3 Ų | 142.3 | 83% | 0.826 | 70% | 0.703 | S | S | * | * | trans | -54.4 | 85.8 | 169.5 | -78.1 | 179.1 | 172.9 | -178.9 | 0 | 108.7 | Q53 | Q53-K55 PolarHBondContact O-N 3.37Š| ||
| 56 | R | 42.2 | Very low | 48.9 | Very low | 224 Ų | 224 | 145 Ų | 145 | 85% | 0.845 | 71% | 0.713 | S | S | * | * | trans | -100.8 | 104.1 | 159.3 | -92 | -175.2 | 160.6 | 157 | -4 | 105.5 | P54 | P54-R56 PolarHBondContact O-N 2.99Š| ||
| 57 | D | 37.5 | Very low | 46.9 | Very low | 145 Ų | 145 | 149.1 Ų | 149.1 | 78% | 0.775 | 73% | 0.728 | S | S | * | * | trans | 67.6 | 84.3 | 159.3 | -50.1 | -31.3 | 0 | 0 | 0 | 116.2 | L59 | D57-L59 PolarHBondContact O-N 2.83Š| ||
| 58 | L | 34.3 | Very low | 45.1 | Very low | 152 Ų | 152 | 152.8 Ų | 152.8 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | trans | -58.4 | 99.2 | 147.9 | -91.6 | 127.4 | 0 | 0 | 0 | 109.2 | ||||
| 59 | L | 39.3 | Very low | 43.3 | Very low | 153 Ų | 153 | 159.4 Ų | 159.4 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | trans | -151.9 | 121.9 | 153.1 | -79.5 | 178.1 | 0 | 0 | 0 | 107.8 | D57 | D57-L59 PolarHBondContact O-N 2.83Š| ||
| 60 | D | 37.7 | Very low | 41.9 | Very low | 147 Ų | 147 | 163.3 Ų | 163.3 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | 49.1 | 112.1 | 171.3 | -66.3 | -28.1 | 0 | 0 | 0 | 115.4 | ||||
| 61 | E | 38.3 | Very low | 40.2 | Very low | 193 Ų | 193 | 160.4 Ų | 160.4 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | -152.1 | 127.4 | 70.6 | -80.3 | 173 | 161 | 0 | 0 | 110.3 | |||||
| 62 | S | 39 | Very low | 38.6 | Very low | 96 Ų | 96 | 154.4 Ų | 154.4 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | trans | -52.8 | 139.4 | 165.8 | 39.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 63 | E | 34.3 | Very low | 37.5 | Very low | 183 Ų | 183 | 151.6 Ų | 151.6 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | trans | 51.8 | 93.9 | 142.6 | -60.9 | -179.4 | 173.1 | 0 | 0 | 117.6 | ||||
| 64 | V | 36.5 | Very low | 36.8 | Very low | 127 Ų | 127 | 151.3 Ų | 151.3 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -133.1 | 91.6 | 143.3 | -165.1 | 0 | 0 | 0 | 0 | 108.7 | V66 | V64-V66 HydrophobicContact CG1-CG2 3.37Š| ||
| 65 | F | 31.5 | Very low | 36.6 | Very low | 192 Ų | 192 | 155.4 Ų | 155.4 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | -63.5 | 123.9 | 147.3 | -103.2 | -102.9 | 0 | 0 | 0 | 106.9 | ||||
| 66 | V | 36.6 | Very low | 36.1 | Very low | 110 Ų | 110 | 155.6 Ų | 155.6 | 67% | 0.667 | 80% | 0.797 | S | S | * | * | trans | -126.7 | 88.3 | 157.7 | -170.5 | 0 | 0 | 0 | 0 | 106.7 | V64 D68 | V64-V66 HydrophobicContact CG1-CG2 3.37Å; V66-D68 HydrophobicContact CG1-CB 4.22Å | ||
| 67 | D | 32.2 | Very low | 35.8 | Very low | 138 Ų | 138 | 154.2 Ų | 154.2 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | trans | -82.2 | 123.4 | 137.4 | -79.1 | -47.2 | 0 | 0 | 0 | 105.1 | ||||
| 68 | D | 36.2 | Very low | 35.5 | Very low | 133 Ų | 133 | 153.3 Ų | 153.3 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | -155.8 | 88.1 | 158 | -114 | -22.4 | 0 | 0 | 0 | 109.3 | V66 R70 | V66-D68 HydrophobicContact CG1-CB 4.22Å; D68-R70 PolarHBondContact O-N 3.47Å | ||
| 69 | E | 36.8 | Very low | 35.4 | Very low | 190 Ų | 190 | 149.4 Ų | 149.4 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -62 | 107.1 | 136.2 | -77.5 | -173.7 | 132.6 | 0 | 0 | 107.6 | ||||
| 70 | R | 39.5 | Very low | 35.1 | Very low | 206 Ų | 206 | 151.3 Ų | 151.3 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | trans | 174.9 | 106.3 | 151.9 | -100.9 | 160.6 | -176.5 | -156.6 | 2.5 | 107.7 | D68 | D68-R70 PolarHBondContact O-N 3.47Š| ||
| 71 | D | 33.3 | Very low | 35 | Very low | 150 Ų | 150 | 152.9 Ų | 152.9 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | 80.1 | 129.5 | 94.1 | -85.5 | -31.6 | 0 | 0 | 0 | 113.2 | |||||
| 72 | A | 32.4 | Very low | 34.5 | Very low | 79 Ų | 79 | 147 Ų | 147 | 65% | 0.653 | 81% | 0.805 | S | S | * | * | trans | 81.3 | 102.8 | 143 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 73 | T | 34.1 | Very low | 34.3 | Very low | 129 Ų | 129 | 148.9 Ų | 148.9 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | 64.3 | 115.8 | 123.6 | 59.8 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 74 | C | 34.1 | Very low | 34.3 | Very low | 139 Ų | 139 | 148.6 Ų | 148.6 | 94% | 0.939 | 82% | 0.818 | S | S | * | * | -149.8 | 129.1 | 129.3 | -113.8 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 75 | E | 36.7 | Very low | 34.1 | Very low | 187 Ų | 187 | 151.4 Ų | 151.4 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | trans | -70.6 | 165.1 | 179.4 | -71.6 | 173.4 | 115 | 0 | 0 | 113.5 | ||||
| 76 | K | 35.4 | Very low | 34 | Very low | 195 Ų | 195 | 147.4 Ų | 147.4 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | trans | -37.4 | 134.6 | 169.4 | -61.1 | 167.9 | 177.2 | 174.5 | 0 | 115.1 | ||||
| 77 | H | 37 | Very low | 33.7 | Very low | 195 Ų | 195 | 152 Ų | 152 | 90% | 0.903 | 83% | 0.83 | S | S | * | * | trans | -145.3 | 108.6 | 143 | -88.8 | -72.8 | 0 | 0 | 0 | 110.7 | ||||
| 78 | S | 30.9 | Very low | 33.6 | Very low | 126 Ų | 126 | 150.5 Ų | 150.5 | 88% | 0.881 | 84% | 0.837 | S | S | * | * | trans | -86.4 | 137.1 | 160.3 | 43.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 79 | G | 32.5 | Very low | 33.6 | Very low | 70 Ų | 70 | 153.2 Ų | 153.2 | 72% | 0.722 | 84% | 0.842 | S | S | * | * | trans | 174.7 | 73.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 80 | Q | 32.8 | Very low | 33.3 | Very low | 192 Ų | 192 | 151.5 Ų | 151.5 | 90% | 0.897 | 84% | 0.839 | S | S | * | * | 42.9 | 97.1 | 127 | -159.6 | 173.3 | 45.1 | 0 | 0 | 119.2 | |||||
| 81 | L | 35.2 | Very low | 33.2 | Very low | 180 Ų | 180 | 147.1 Ų | 147.1 | 94% | 0.942 | 84% | 0.837 | S | S | * | * | trans | -146.5 | 123.3 | 148.4 | -77.6 | 178.7 | 0 | 0 | 0 | 110.3 | ||||
| 82 | G | 28.2 | Very low | 32.9 | Very low | 71 Ų | 71 | 146.4 Ų | 146.4 | 73% | 0.732 | 84% | 0.843 | S | S | * | * | trans | -86.5 | -177.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 83 | P | 34.2 | Very low | 32.8 | Very low | 135 Ų | 135 | 154.4 Ų | 154.4 | 88% | 0.877 | 86% | 0.856 | S | S | * | * | trans | -93.9 | 148.9 | -158.2 | 36.4 | -33.3 | 0 | 0 | 0 | 114.8 | ||||
| 84 | L | 33.7 | Very low | 32.8 | Very low | 177 Ų | 177 | 153.8 Ų | 153.8 | 93% | 0.927 | 86% | 0.857 | S | S | * | * | trans | -119 | 117.5 | 173.5 | -87.2 | 159.2 | 0 | 0 | 0 | 111.1 | ||||
| 85 | Q | 32.5 | Very low | 32.5 | Very low | 185 Ų | 185 | 150.4 Ų | 150.4 | 86% | 0.864 | 85% | 0.846 | S | S | * | * | trans | -97.8 | 138.8 | 161 | -72.3 | -166.7 | 6.6 | 0 | 0 | 109.8 | ||||
| 86 | S | 30.2 | Very low | 32.2 | Very low | 109 Ų | 109 | 149.2 Ų | 149.2 | 76% | 0.762 | 85% | 0.845 | S | S | * | * | 161.5 | 126.5 | 121.4 | 53.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 87 | K | 30.8 | Very low | 31.8 | Very low | 205 Ų | 205 | 147.5 Ų | 147.5 | 89% | 0.891 | 85% | 0.845 | S | S | * | * | trans | 48.8 | 117.8 | 135 | -60.2 | -178.7 | 179.4 | 174.8 | 0 | 121 | ||||
| 88 | A | 30.2 | Very low | 31.4 | Very low | 108 Ų | 108 | 145.9 Ų | 145.9 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | trans | -138.7 | 136.3 | 139.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 89 | K | 34.2 | Very low | 31.1 | Very low | 190 Ų | 190 | 147 Ų | 147 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | trans | -96.7 | 148 | -172.4 | -77.4 | 174.1 | 170.8 | 177.1 | 0 | 112 | ||||
| 90 | N | 32.1 | Very low | 30.8 | Very low | 153 Ų | 153 | 151.6 Ų | 151.6 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | 124.7 | 139 | 132.9 | -77.3 | -19.7 | 0 | 0 | 0 | 117.8 | ||||
| 91 | P | 36.5 | Very low | 30.4 | Very low | 114 Ų | 114 | 151.4 Ų | 151.4 | 74% | 0.74 | 83% | 0.828 | S | S | * | * | trans | -102.7 | 154.3 | -168.8 | 39.7 | -30.5 | 0 | 0 | 0 | 113.3 | ||||
| 92 | C | 27.8 | Very low | 29.9 | Very low | 135 Ų | 135 | 152 Ų | 152 | 91% | 0.912 | 83% | 0.826 | S | S | * | * | trans | -134.4 | 117.6 | 161.5 | -78.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 93 | R | 28.8 | Very low | 29.8 | Very low | 248 Ų | 248 | 156.9 Ų | 156.9 | 94% | 0.936 | 83% | 0.827 | S | S | * | * | trans | -69.3 | 129 | 162.6 | -82.1 | 176.1 | 161.4 | -160.7 | -4.1 | 108.7 | ||||
| 94 | S | 34.7 | Very low | 29.2 | Very low | 115 Ų | 115 | 156.1 Ų | 156.1 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | 177.6 | 121.1 | 134.3 | 56.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 95 | G | 28.5 | Very low | 28.8 | Very low | 69 Ų | 69 | 155.4 Ų | 155.4 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | trans | 61.1 | 113.8 | 134.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 96 | N | 31.1 | Very low | 28.4 | Very low | 162 Ų | 162 | 154.7 Ų | 154.7 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | trans | 78.5 | 92.8 | 150.1 | -62.4 | -2.4 | 0 | 0 | 0 | 117.7 | H98 | N96-H98 PolarHBondContact O-N 2.85Š| ||
| 97 | D | 26.2 | Very low | 28.2 | Very low | 158 Ų | 158 | 155.1 Ų | 155.1 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -8.2 | 102.8 | 151.1 | -66.5 | -35.1 | 0 | 0 | 0 | 116.7 | ||||
| 98 | H | 27.6 | Very low | 28 | Very low | 161 Ų | 161 | 152.1 Ų | 152.1 | 75% | 0.745 | 81% | 0.808 | S | S | * | * | trans | -163.3 | 127.8 | 150.4 | -97 | -57.5 | 0 | 0 | 0 | 109.3 | N96 | N96-H98 PolarHBondContact O-N 2.85Š| ||
| 99 | H | 26.2 | Very low | 27.7 | Very low | 149 Ų | 149 | 155.4 Ų | 155.4 | 69% | 0.69 | 80% | 0.797 | S | S | * | * | trans | 53.2 | 101.2 | 152.7 | -55.6 | -64.6 | 0 | 0 | 0 | 119.3 | ||||
| 100 | L | 26 | Very low | 27.4 | Very low | 168 Ų | 168 | 153.5 Ų | 153.5 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | trans | -141.3 | 91.8 | 142.9 | -93.8 | 147.7 | 0 | 0 | 0 | 106.7 | ||||
| 101 | Y | 24 | Very low | 27.1 | Very low | 187 Ų | 187 | 155.1 Ų | 155.1 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | 52.7 | 103.1 | 103.3 | -83.6 | -88.4 | 0 | 0 | 0 | 112.9 | |||||
| 102 | H | 25.1 | Very low | 26.6 | Very low | 193 Ų | 193 | 158.2 Ų | 158.2 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | -149.7 | 117.2 | 126 | -110.2 | -78.9 | 0 | 0 | 0 | 109.4 | C104 | H102-C104 PolarHBondContact O-N 2.81Š| |||
| 103 | K | 25 | Very low | 26.5 | Very low | 174 Ų | 174 | 161.8 Ų | 161.8 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | trans | -59.7 | 116.8 | 168.7 | -70.9 | 173.8 | 172.4 | -178.1 | 0 | 108.6 | ||||
| 104 | C | 23.4 | Very low | 26.5 | Very low | 118 Ų | 118 | 153.1 Ų | 153.1 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | -126.4 | 91 | 151.7 | -89.7 | 0 | 0 | 0 | 0 | 107 | H102 H106 | H102-C104 PolarHBondContact O-N 2.81Å; C104-H106 PolarHBondContact O-N 2.85Å | ||
| 105 | L | 23.4 | Very low | 26.2 | Very low | 163 Ų | 163 | 158.8 Ų | 158.8 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -68.7 | 100.5 | 155.2 | -81.3 | 152.4 | 0 | 0 | 0 | 106.2 | ||||
| 106 | H | 25.9 | Very low | 26.4 | Very low | 169 Ų | 169 | 163.6 Ų | 163.6 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | trans | -144.1 | 138.8 | 157.4 | -97 | -72.2 | 0 | 0 | 0 | 108.2 | C104 | C104-H106 PolarHBondContact O-N 2.85Š| ||
| 107 | E | 25.1 | Very low | 26.4 | Very low | 118 Ų | 118 | 159.6 Ų | 159.6 | 55% | 0.551 | 76% | 0.759 | S | S | * | * | trans | -35.7 | 158.6 | 173.4 | -67 | 170.7 | 114.2 | 0 | 0 | 113.3 | R109 | E107-R109 HydrophobicContact CB-CB 4.41Å; E107-R109 HydrophobicContact CB-CG 4.16Å; E107-R109 PolarHBondContact O-N 3.49Å; E107-R109 IonicContact OE1-NE 2.75Å; E107-R109 WeakPolarHBondContact OE2-CD 3.1Å; E107-R109 IonicContact OE2-NE 2.64Å | ||
| 108 | P | 26 | Very low | 26.7 | Very low | 143 Ų | 143 | 160 Ų | 160 | 93% | 0.929 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -69.3 | 72 | 161.5 | 32 | -31.6 | 0 | 0 | 0 | 108.8 | ||
| 109 | R | 25 | Very low | 26.8 | Very low | 176 Ų | 176 | 155.4 Ų | 155.4 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | trans | -121.3 | 129.7 | 164.5 | -76.6 | -170.3 | 178.9 | -162.2 | 1.2 | 106.3 | E107 | E107-R109 HydrophobicContact CB-CB 4.41Å; E107-R109 HydrophobicContact CB-CG 4.16Å; E107-R109 PolarHBondContact O-N 3.49Å; E107-R109 IonicContact OE1-NE 2.75Å; E107-R109 WeakPolarHBondContact OE2-CD 3.1Å; E107-R109 IonicContact OE2-NE 2.64Å | ||
| 110 | E | 26.8 | Very low | 27.1 | Very low | 150 Ų | 150 | 152.7 Ų | 152.7 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | trans | 70.7 | 97.3 | 162.8 | -58.7 | 172.4 | -166.7 | 0 | 0 | 114.4 | F112 | E110-F112 PolarHBondContact O-N 3.41Š| ||
| 111 | H | 26.9 | Very low | 27.6 | Very low | 187 Ų | 187 | 149.9 Ų | 149.9 | 87% | 0.866 | 74% | 0.737 | S | S | * | * | trans | -57.1 | 97.1 | 146.6 | -82.2 | -56.9 | 0 | 0 | 0 | 107.2 | Y113 | H111-Y113 PolarHBondContact O-N 3.09Š| ||
| 112 | F | 24.6 | Very low | 28.2 | Very low | 180 Ų | 180 | 145.4 Ų | 145.4 | 79% | 0.789 | 73% | 0.729 | S | S | * | * | trans | -49.8 | 81.9 | 162.1 | -96.2 | -101.1 | 0 | 0 | 0 | 109 | E110 C114 | E110-F112 PolarHBondContact O-N 3.41Å; F112-C114 VanDerWaalsContact C-N 3.31Å; F112-C114 PolarHBondContact O-N 2.99Å | ||
| 113 | Y | 26.4 | Very low | 28.8 | Very low | 209 Ų | 209 | 140.3 Ų | 140.3 | 82% | 0.82 | 71% | 0.708 | S | S | * | * | trans | -77.8 | 100.2 | 144.7 | -82.5 | -81.2 | 0 | 0 | 0 | 105.5 | H111 R115 | H111-Y113 PolarHBondContact O-N 3.09Å; Y113-R115 PolarHBondContact O-N 3Å | ||
| 114 | C | 28.4 | Very low | 29 | Very low | 67 Ų | 67 | 140.8 Ų | 140.8 | 45% | 0.453 | 71% | 0.705 | S | S | . | * | trans | -42.1 | 109.2 | 175.5 | -175.2 | 0 | 0 | 0 | 0 | 109.6 | F112 H116 C117 | F112-C114 VanDerWaalsContact C-N 3.31Å; F112-C114 PolarHBondContact O-N 2.99Å; C114-H116 PolarHBondContact O-N 3.18Å; C114-C117 WeakPolarHBondContact O-CB 3.27Å; C114-C117 PolarHBondContact O-N 2.83Å | ||
| 115 | R | 29.5 | Very low | 29.4 | Very low | 234 Ų | 234 | 142 Ų | 142 | 88% | 0.883 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -6.6 | 177.9 | -148.4 | 175.1 | -177.7 | -174.8 | 0.3 | 112.2 | Y113 | Y113-R115 PolarHBondContact O-N 3Š|
| 116 | H | 31.1 | Very low | 29.6 | Very low | 170 Ų | 170 | 139.1 Ų | 139.1 | 79% | 0.787 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -16.2 | 170.2 | -91.8 | -30.7 | 0 | 0 | 0 | 115 | C114 M118 G119 | C114-H116 PolarHBondContact O-N 3.18Å; H116-M118 PolarHBondContact O-N 3.08Å; H116-G119 PolarHBondContact O-N 3.38Å |
| 117 | C | 31.9 | Very low | 29.8 | Very low | 77 Ų | 77 | 138 Ų | 138 | 52% | 0.52 | 69% | 0.69 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.5 | -2.9 | 179 | -59.2 | 0 | 0 | 0 | 0 | 113.7 | C114 | C114-C117 WeakPolarHBondContact O-CB 3.27Å; C114-C117 PolarHBondContact O-N 2.83Å |
| 118 | M | 32.4 | Very low | 30 | Very low | 166 Ų | 166 | 136.1 Ų | 136.1 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | 3.5 | 176 | -62.4 | -139.2 | -62.6 | 0 | 0 | 113.8 | H116 | H116-M118 PolarHBondContact O-N 3.08Š|
| 119 | G | 30.4 | Very low | 30 | Very low | 66 Ų | 66 | 136.7 Ų | 136.7 | 68% | 0.68 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -93.2 | -16.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116 | H116 | H116-G119 PolarHBondContact O-N 3.38Š|
| 120 | N | 32.5 | Very low | 29.9 | Very low | 92 Ų | 92 | 134.1 Ų | 134.1 | 49% | 0.492 | 69% | 0.692 | S | S | . | * | trans | -125.9 | 121.6 | -174.6 | -118.6 | -13.7 | 0 | 0 | 0 | 111.4 | T122 D123 | N120-T122 PolarHBondContact O-N 3.07Å; N120-D123 PolarHBondContact O-N 3.09Å | ||
| 121 | P | 35.6 | Very low | 29.9 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 70% | 0.701 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -65.1 | -23.5 | -178.6 | 24 | -31.6 | 0 | 0 | 0 | 113.4 | ||
| 122 | T | 37.2 | Very low | 30 | Very low | 94 Ų | 94 | 130.6 Ų | 130.6 | 58% | 0.577 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -75.9 | -21.6 | 178.9 | 38.9 | 0 | 0 | 0 | 0 | 114.5 | N120 R124 | N120-T122 PolarHBondContact O-N 3.07Å; T122-R124 VanDerWaalsContact C-N 3.32Å; T122-R124 PolarHBondContact O-N 3.34Å |
| 123 | D | 36.6 | Very low | 30 | Very low | 85 Ų | 85 | 130.9 Ų | 130.9 | 46% | 0.455 | 69% | 0.689 | S | S | . | * | G | 310 helix | trans | -84.2 | -6.8 | -179.3 | -72.9 | -33.2 | 0 | 0 | 0 | 113.3 | N120 E125 C126 | N120-D123 PolarHBondContact O-N 3.09Å; D123-E125 PolarHBondContact O-N 2.96Å; D123-C126 PolarHBondContact O-N 3.11Å |
| 124 | R | 29.6 | Very low | 30.1 | Very low | 184 Ų | 184 | 126.5 Ų | 126.5 | 69% | 0.694 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -67 | -21 | 174.6 | -86.7 | -177 | 169.7 | 173.6 | -2.6 | 113.5 | T122 C126 | T122-R124 VanDerWaalsContact C-N 3.32Å; T122-R124 PolarHBondContact O-N 3.34Å; R124-C126 VanDerWaalsContact C-N 3.3Å; R124-C126 PolarHBondContact O-N 3.41Å |
| 125 | E | 31.5 | Very low | 30 | Very low | 143 Ų | 143 | 129 Ų | 129 | 67% | 0.668 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -74.4 | -20.7 | 178 | -70.2 | 179.3 | 167.4 | 0 | 0 | 112.5 | D123 I127 H129 | D123-E125 PolarHBondContact O-N 2.96Å; E125-I127 PolarHBondContact O-N 2.94Å; E125-H129 PolarHBondContact O-CD2 2.98Å |
| 126 | C | 29.3 | Very low | 29.9 | Very low | 103 Ų | 103 | 122.9 Ų | 122.9 | 70% | 0.696 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -80.9 | -9.6 | -176.7 | -71.3 | 0 | 0 | 0 | 0 | 115.1 | D123 R124 | D123-C126 PolarHBondContact O-N 3.11Å; R124-C126 VanDerWaalsContact C-N 3.3Å; R124-C126 PolarHBondContact O-N 3.41Å |
| 127 | I | 29.1 | Very low | 29.7 | Very low | 147 Ų | 147 | 118.1 Ų | 118.1 | 75% | 0.754 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -94.7 | -4.3 | 178.8 | -60.1 | 175.2 | 0 | 0 | 0 | 111.5 | E125 | E125-I127 PolarHBondContact O-N 2.94Š|
| 128 | A | 28.6 | Very low | 29.4 | Very low | 78 Ų | 78 | 122.5 Ų | 122.5 | 65% | 0.645 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -103.4 | 3.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 129 | H | 26.9 | Very low | 28.9 | Very low | 155 Ų | 155 | 117.8 Ų | 117.8 | 72% | 0.718 | 71% | 0.711 | S | S | * | * | trans | -112.1 | 83.9 | -174.4 | -70 | -62.9 | 0 | 0 | 0 | 112.9 | E125 | E125-H129 PolarHBondContact O-CD2 2.98Š| ||
| 130 | C | 23.7 | Very low | 28.7 | Very low | 122 Ų | 122 | 121 Ų | 121 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | trans | -126.3 | 86.2 | 155.9 | -150.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 131 | S | 25.6 | Very low | 28.3 | Very low | 102 Ų | 102 | 121.6 Ų | 121.6 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | trans | -88.9 | 111.6 | 177.9 | 47.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 132 | N | 28.6 | Very low | 27.8 | Very low | 160 Ų | 160 | 123 Ų | 123 | 86% | 0.856 | 72% | 0.718 | S | S | * | * | trans | -107.5 | 101.4 | 167.3 | -85.4 | -12 | 0 | 0 | 0 | 110.5 | ||||
| 133 | W | 24.3 | Very low | 27.2 | Very low | 187 Ų | 187 | 128.3 Ų | 128.3 | 71% | 0.708 | 73% | 0.729 | S | S | * | * | trans | -61.5 | 151.5 | 165 | -100.8 | 12.3 | 0 | 0 | 0 | 112.2 | C135 P215 | W133-C135 PolarHBondContact O-N 3.23Å; W133-P215 HydrophobicContact CH2-CB 4.38Å; W133-P215 HydrophobicContact CZ2-CB 4.42Å; W133-P215 HydrophobicContact CZ2-CG 4.29Å | ||
| 134 | P | 28.5 | Very low | 26.6 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 76% | 0.76 | 74% | 0.74 | S | S | * | * | trans | -79.8 | 113.1 | 174.4 | 31.7 | -28.8 | 0 | 0 | 0 | 110.3 | ||||
| 135 | C | 26.9 | Very low | 26.4 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -78.4 | 124.5 | 164.3 | -88.8 | 0 | 0 | 0 | 0 | 110.1 | W133 | W133-C135 PolarHBondContact O-N 3.23Š| ||
| 136 | A | 28.1 | Very low | 26 | Very low | 106 Ų | 106 | 128 Ų | 128 | 88% | 0.876 | 76% | 0.755 | S | S | * | * | trans | -77.5 | 144.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 137 | G | 25.5 | Very low | 25.8 | Very low | 69 Ų | 69 | 126.5 Ų | 126.5 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | 122.6 | 101.5 | 160 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 138 | N | 26.4 | Very low | 25.6 | Very low | 170 Ų | 170 | 125.4 Ų | 125.4 | 91% | 0.909 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 61.3 | 91 | 151.3 | -63.2 | -7.9 | 0 | 0 | 0 | 119 | ||
| 139 | G | 22.8 | Very low | 25.6 | Very low | 67 Ų | 67 | 125.9 Ų | 125.9 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | trans | 81.7 | 140.9 | 145.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 140 | T | 24.7 | Very low | 25.6 | Very low | 134 Ų | 134 | 125.3 Ų | 125.3 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 76.5 | 113.3 | 166.5 | 66.8 | 0 | 0 | 0 | 0 | 117.4 | ||
| 141 | D | 24.2 | Very low | 25.6 | Very low | 103 Ų | 103 | 122.4 Ų | 122.4 | 55% | 0.551 | 74% | 0.736 | S | S | * | * | trans | 51.9 | 82.1 | 139.9 | -56.5 | -19.4 | 0 | 0 | 0 | 118.4 | Y143 | D141-Y143 HydrophobicContact CB-CE2 4.17Å; D141-Y143 PolarHBondContact O-N 2.76Å | ||
| 142 | Q | 26.2 | Very low | 25.6 | Very low | 137 Ų | 137 | 127.4 Ų | 127.4 | 64% | 0.64 | 75% | 0.745 | S | S | * | * | trans | -84 | 102.2 | 155.5 | -73.5 | -177.7 | 0.8 | 0 | 0 | 109.4 | F144 | Q142-F144 HydrophobicContact CB-CD2 4.21Å; Q142-F144 HydrophobicContact CB-CE2 3.76Å; Q142-F144 WeakPolarHBondContact O-CD2 3.28Å; Q142-F144 PolarHBondContact O-N 3.31Å | ||
| 143 | Y | 23.9 | Very low | 25.5 | Very low | 206 Ų | 206 | 130.4 Ų | 130.4 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | trans | -64.2 | 101.1 | 167 | -68.8 | -89.2 | 0 | 0 | 0 | 109.5 | D141 | D141-Y143 HydrophobicContact CB-CE2 4.17Å; D141-Y143 PolarHBondContact O-N 2.76Å | ||
| 144 | F | 25 | Very low | 25.5 | Very low | 158 Ų | 158 | 124.9 Ų | 124.9 | 69% | 0.693 | 75% | 0.747 | S | S | * | * | trans | -84.8 | 108.4 | 165.9 | -75.1 | -86.8 | 0 | 0 | 0 | 108.8 | Q142 C146 | Q142-F144 HydrophobicContact CB-CD2 4.21Å; Q142-F144 HydrophobicContact CB-CE2 3.76Å; Q142-F144 WeakPolarHBondContact O-CD2 3.28Å; Q142-F144 PolarHBondContact O-N 3.31Å; F144-C146 PolarHBondContact O-N 2.95Å | ||
| 145 | C | 23.7 | Very low | 25.3 | Very low | 136 Ų | 136 | 129 Ų | 129 | 92% | 0.919 | 75% | 0.749 | S | S | * | * | trans | -67.9 | 82.9 | 159.2 | -87.2 | 0 | 0 | 0 | 0 | 108.7 | A147 | C145-A147 VanDerWaalsContact C-N 3.34Å; C145-A147 PolarHBondContact O-N 2.78Å; C145-A147 VanDerWaalsContact O-N 3.12Å | ||
| 146 | C | 24.2 | Very low | 25.4 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | trans | -71.8 | 97.2 | 157.4 | -72.7 | 0 | 0 | 0 | 0 | 107.1 | F144 D148 | F144-C146 PolarHBondContact O-N 2.95Å; C146-D148 VanDerWaalsContact C-N 3.28Å; C146-D148 PolarHBondContact O-N 2.7Å | ||
| 147 | A | 25.2 | Very low | 25.2 | Very low | 71 Ų | 71 | 125.7 Ų | 125.7 | 59% | 0.587 | 73% | 0.73 | S | S | * | * | trans | -64.8 | 95.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | C145 P149 | C145-A147 VanDerWaalsContact C-N 3.34Å; C145-A147 PolarHBondContact O-N 2.78Å; C145-A147 VanDerWaalsContact O-N 3.12Å; A147-P149 WeakPolarHBondContact O-CD 3.27Å | ||
| 148 | D | 24.9 | Very low | 25.2 | Very low | 123 Ų | 123 | 131 Ų | 131 | 66% | 0.658 | 74% | 0.736 | S | S | * | * | trans | -66.1 | 113.1 | 175 | -167.1 | -7.2 | 0 | 0 | 0 | 109.3 | C146 N150 | C146-D148 VanDerWaalsContact C-N 3.28Å; C146-D148 PolarHBondContact O-N 2.7Å; D148-N150 PolarHBondContact O-N 3.22Å; D148-N150 PolarHBondContact OD1-N 3.22Å | ||
| 149 | P | 27.5 | Very low | 25.3 | Very low | 89 Ų | 89 | 130.2 Ų | 130.2 | 58% | 0.578 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 3.3 | -176.6 | -10.1 | 28.3 | 0 | 0 | 0 | 113.9 | A147 | A147-P149 WeakPolarHBondContact O-CD 3.27Š|
| 150 | N | 27.7 | Very low | 25.3 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.1 | 30.6 | -178.1 | -88.7 | -24.3 | 0 | 0 | 0 | 114.8 | D148 F152 | D148-N150 PolarHBondContact O-N 3.22Å; D148-N150 PolarHBondContact OD1-N 3.22Å; N150-F152 PolarHBondContact O-N 3.16Å |
| 151 | G | 24.7 | Very low | 25.3 | Very low | 62 Ų | 62 | 133.6 Ų | 133.6 | 64% | 0.639 | 74% | 0.737 | S | S | * | * | trans | -71.5 | 51.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 152 | F | 24.5 | Very low | 25.5 | Very low | 207 Ų | 207 | 136.2 Ų | 136.2 | 91% | 0.908 | 75% | 0.75 | S | S | * | * | trans | -110.7 | 66.8 | 159.2 | -95.4 | -85.7 | 0 | 0 | 0 | 108.8 | N150 | N150-F152 PolarHBondContact O-N 3.16Š| ||
| 153 | Y | 26.4 | Very low | 25.5 | Very low | 222 Ų | 222 | 133.9 Ų | 133.9 | 87% | 0.871 | 76% | 0.755 | S | S | * | * | trans | -111.9 | 122.6 | 156.1 | -95.1 | -86.3 | 0 | 0 | 0 | 109.1 | ||||
| 154 | G | 24.6 | Very low | 25.5 | Very low | 71 Ų | 71 | 132.1 Ų | 132.1 | 73% | 0.732 | 75% | 0.752 | S | S | * | * | trans | -59.6 | 134.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S156 | G154-S156 PolarHBondContact O-N 3.1Å; G154-S156 VanDerWaalsContact O-N 3.1Å | ||
| 155 | Y | 24.1 | Very low | 25.6 | Very low | 204 Ų | 204 | 134.7 Ų | 134.7 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | trans | -44.5 | 108.2 | 155.8 | -92.3 | -109.6 | 0 | 0 | 0 | 111.3 | ||||
| 156 | S | 28.3 | Very low | 25.8 | Very low | 96 Ų | 96 | 133 Ų | 133 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | trans | -109.8 | 102.6 | 138.9 | 56.1 | 0 | 0 | 0 | 0 | 107.1 | G154 E158 | G154-S156 PolarHBondContact O-N 3.1Å; G154-S156 VanDerWaalsContact O-N 3.1Å; S156-E158 PolarHBondContact O-N 3.34Å | ||
| 157 | G | 23.9 | Very low | 25.8 | Very low | 60 Ų | 60 | 134.5 Ų | 134.5 | 62% | 0.619 | 75% | 0.746 | S | S | * | * | trans | -67.9 | 129.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 158 | E | 25.9 | Very low | 25.9 | Very low | 181 Ų | 181 | 136 Ų | 136 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | trans | -171.8 | 123.8 | 138.3 | -103.4 | 165.8 | -156.7 | 0 | 0 | 108.1 | S156 | S156-E158 PolarHBondContact O-N 3.34Š| ||
| 159 | L | 28.4 | Very low | 26 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | trans | 82.7 | 75.1 | 160 | -53.2 | 164 | 0 | 0 | 0 | 118 | ||||
| 160 | C | 23.4 | Very low | 26.1 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | trans | -73.1 | 121.6 | 140.5 | -63.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 161 | N | 25.1 | Very low | 26.1 | Very low | 151 Ų | 151 | 145.5 Ų | 145.5 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | trans | -173.7 | 131.4 | 144.5 | -92.6 | -19.8 | 0 | 0 | 0 | 109 | ||||
| 162 | N | 27.6 | Very low | 26.3 | Very low | 157 Ų | 157 | 149.1 Ų | 149.1 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | trans | 91.5 | 89.3 | 178.1 | -49.9 | -11.3 | 0 | 0 | 0 | 112.9 | ||||
| 163 | A | 26.4 | Very low | 26.4 | Very low | 88 Ų | 88 | 145.6 Ų | 145.6 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | 76.7 | 104.7 | 77.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 164 | F | 24.5 | Very low | 26.3 | Very low | 170 Ų | 170 | 142.8 Ų | 142.8 | 75% | 0.746 | 77% | 0.768 | S | S | * | * | trans | 22.1 | 123.7 | 143.8 | -64.6 | -92.4 | 0 | 0 | 0 | 118.5 | ||||
| 165 | Y | 25.8 | Very low | 26.3 | Very low | 211 Ų | 211 | 147.3 Ų | 147.3 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | -177.2 | 152.2 | 98.3 | -100.5 | -86.2 | 0 | 0 | 0 | 110.3 | |||||
| 166 | P | 28 | Very low | 26.4 | Very low | 100 Ų | 100 | 143.3 Ų | 143.3 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | trans | -104.2 | 153.9 | -157.7 | 38.5 | -28.9 | 0 | 0 | 0 | 113.6 | ||||
| 167 | N | 24.9 | Very low | 26.4 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | trans | -171.4 | 87 | 155.3 | -99.6 | -33.9 | 0 | 0 | 0 | 110.6 | ||||
| 168 | L | 28.1 | Very low | 26.5 | Very low | 102 Ų | 102 | 148.5 Ų | 148.5 | 53% | 0.534 | 77% | 0.77 | S | S | . | * | trans | -140.8 | 90.6 | 163.7 | -96.8 | 161.5 | 0 | 0 | 0 | 110.1 | N170 E316 A318 | L168-N170 PolarHBondContact O-N 3.36Å; L168-E316 HydrophobicContact CD1-CG 4.37Å; L168-A318 HydrophobicContact CD2-CB 4.19Å | ||
| 169 | H | 26.5 | Very low | 26.6 | Very low | 182 Ų | 182 | 144.1 Ų | 144.1 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | -69.7 | 114.8 | 156.3 | -80.3 | -56.7 | 0 | 0 | 0 | 108.8 | ||||
| 170 | N | 29.6 | Very low | 26.8 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 67% | 0.674 | 76% | 0.755 | S | S | * | * | trans | -148.4 | 118.4 | 155.4 | -127.5 | -20.2 | 0 | 0 | 0 | 112 | L168 N172 | L168-N170 PolarHBondContact O-N 3.36Å; N170-N172 VanDerWaalsContact C-N 3.28Å; N170-N172 PolarHBondContact O-N 3.04Å; N170-N172 VanDerWaalsContact O-N 3.11Å | ||
| 171 | R | 28 | Very low | 27 | Very low | 245 Ų | 245 | 140.9 Ų | 140.9 | 93% | 0.925 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -78.8 | 27.7 | -168.4 | -88 | -177.4 | 164.5 | -179.2 | -4 | 115.2 | ||
| 172 | N | 28.4 | Very low | 27.3 | Very low | 139 Ų | 139 | 138.8 Ų | 138.8 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | trans | -133.6 | 23.4 | -169.8 | -79.9 | -16.8 | 0 | 0 | 0 | 116.4 | N170 L174 | N170-N172 VanDerWaalsContact C-N 3.28Å; N170-N172 PolarHBondContact O-N 3.04Å; N170-N172 VanDerWaalsContact O-N 3.11Å; N172-L174 PolarHBondContact O-N 3.43Å | ||
| 173 | C | 25.5 | Very low | 27.6 | Very low | 133 Ų | 133 | 137 Ų | 137 | 90% | 0.899 | 74% | 0.735 | S | S | * | * | trans | -75.3 | 93.6 | 171.4 | -79.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 174 | L | 25.9 | Very low | 28 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | trans | -63.5 | 132.8 | 165.1 | -79.2 | 157.6 | 0 | 0 | 0 | 109.9 | N172 T176 | N172-L174 PolarHBondContact O-N 3.43Å; L174-T176 PolarHBondContact O-N 2.94Å | ||
| 175 | I | 24.9 | Very low | 28.4 | Very low | 167 Ų | 167 | 139.7 Ų | 139.7 | 86% | 0.856 | 73% | 0.728 | S | S | * | * | trans | -60.2 | 112.6 | 176.3 | -62.7 | 164.5 | 0 | 0 | 0 | 109.3 | ||||
| 176 | T | 25.2 | Very low | 28.9 | Very low | 120 Ų | 120 | 139 Ų | 139 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | trans | -80.9 | 129.1 | 164.8 | 10 | 0 | 0 | 0 | 0 | 109.2 | L174 | L174-T176 PolarHBondContact O-N 2.94Š| ||
| 177 | P | 28.5 | Very low | 29.4 | Very low | 87 Ų | 87 | 139.4 Ų | 139.4 | 57% | 0.565 | 73% | 0.726 | S | S | * | * | trans | -68.8 | 136.3 | -177.7 | 26.6 | -31.5 | 0 | 0 | 0 | 111.1 | A179 F194 | P177-A179 PolarHBondContact O-N 3.37Å; P177-F194 HydrophobicContact CB-CE1 4.45Å | ||
| 178 | Y | 26.9 | Very low | 30.3 | Very low | 177 Ų | 177 | 136 Ų | 136 | 69% | 0.694 | 72% | 0.718 | S | S | * | * | trans | -50.8 | 116 | 167.4 | -83.6 | -101.3 | 0 | 0 | 0 | 110.2 | P180 | Y178-P180 WeakPolarHBondContact O-CD 3.47Š| ||
| 179 | A | 27.3 | Very low | 30.9 | Very low | 90 Ų | 90 | 136.7 Ų | 136.7 | 74% | 0.744 | 72% | 0.722 | S | S | * | * | trans | -92.6 | 112.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | P177 S181 | P177-A179 PolarHBondContact O-N 3.37Å; A179-S181 PolarHBondContact O-N 2.86Å | ||
| 180 | P | 31.7 | Very low | 31.5 | Very low | 90 Ų | 90 | 134.3 Ų | 134.3 | 58% | 0.584 | 71% | 0.706 | S | S | * | * | trans | -73.3 | 126.5 | 168.9 | -5 | 21.4 | 0 | 0 | 0 | 109.1 | Y178 F182 | Y178-P180 WeakPolarHBondContact O-CD 3.47Å; P180-F182 HydrophobicContact CB-CD2 3.84Å; P180-F182 HydrophobicContact CB-CE2 4.19Å; P180-F182 PolarHBondContact O-N 3.48Å | ||
| 181 | S | 28.4 | Very low | 31.9 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | trans | -73 | 46.5 | -176.1 | 35.6 | 0 | 0 | 0 | 0 | 114.4 | A179 P183 | A179-S181 PolarHBondContact O-N 2.86Å; S181-P183 WeakPolarHBondContact O-CD 3.48Å | ||
| 182 | F | 30.3 | Very low | 32.3 | Very low | 108 Ų | 108 | 126.5 Ų | 126.5 | 47% | 0.474 | 69% | 0.688 | S | S | . | * | trans | -109.4 | 108.3 | 179.8 | -63.9 | -65.9 | 0 | 0 | 0 | 112.4 | P180 W184 M185 | P180-F182 HydrophobicContact CB-CD2 3.84Å; P180-F182 HydrophobicContact CB-CE2 4.19Å; P180-F182 PolarHBondContact O-N 3.48Å; F182-W184 HydrophobicContact CB-CZ2 4.37Å; F182-W184 AromaticContact CD1-CH2 3.69Å; F182-W184 HydrophobicContact CD1-CH2 3.69Å; F182-W184 AromaticContact CD1-CZ2 3.36Å; F182-W184 HydrophobicContact CD1-CZ2 3.36Å; F182-W184 HydrophobicContact CE1-CH2 4.28Å; F182-W184 AromaticContact CE1-CZ2 4Å; F182-W184 HydrophobicContact CE1-CZ2 4Å; F182-W184 HydrophobicContact CG-CZ2 4.19Å; F182-W184 PolarHBondContact O-N 3.45Å; F182-W184 VanDerWaalsContact O-N 3.17Å; F182-M185 HydrophobicContact CB-CE 4.01Å; F182-M185 HydrophobicContact CD2-CE 4.09Å; F182-M185 HydrophobicContact CG-CE 4.44Å | ||
| 183 | P | 34.4 | Very low | 32.6 | Very low | 120 Ų | 120 | 124 Ų | 124 | 78% | 0.779 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 1.3 | -175.5 | 26.6 | -32.4 | 0 | 0 | 0 | 115.7 | S181 | S181-P183 WeakPolarHBondContact O-CD 3.48Š|
| 184 | W | 34.7 | Very low | 32.9 | Very low | 197 Ų | 197 | 122 Ų | 122 | 75% | 0.746 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | 2 | -175.7 | 55 | 76.7 | 0 | 0 | 0 | 115.4 | F182 | F182-W184 HydrophobicContact CB-CZ2 4.37Å; F182-W184 AromaticContact CD1-CH2 3.69Å; F182-W184 HydrophobicContact CD1-CH2 3.69Å; F182-W184 AromaticContact CD1-CZ2 3.36Å; F182-W184 HydrophobicContact CD1-CZ2 3.36Å; F182-W184 HydrophobicContact CE1-CH2 4.28Å; F182-W184 AromaticContact CE1-CZ2 4Å; F182-W184 HydrophobicContact CE1-CZ2 4Å; F182-W184 HydrophobicContact CG-CZ2 4.19Å; F182-W184 PolarHBondContact O-N 3.45Å; F182-W184 VanDerWaalsContact O-N 3.17Å |
| 185 | M | 32.8 | Very low | 33.5 | Very low | 117 Ų | 117 | 117 Ų | 117 | 58% | 0.576 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -88.5 | 132.2 | 174.2 | -96 | -172.8 | -70.2 | 0 | 0 | 111.5 | F182 | F182-M185 HydrophobicContact CB-CE 4.01Å; F182-M185 HydrophobicContact CD2-CE 4.09Å; F182-M185 HydrophobicContact CG-CE 4.44Å |
| 186 | R | 36.7 | Very low | 34.1 | Very low | 197 Ų | 197 | 114 Ų | 114 | 74% | 0.743 | 62% | 0.619 | S | S | * | * | trans | -72.8 | 136.9 | 175.8 | -71.6 | -176 | -175.7 | 177.6 | 2.2 | 110 | A188 D189 | R186-A188 PolarHBondContact O-N 2.9Å; R186-A188 VanDerWaalsContact O-N 3.1Å; R186-D189 PolarHBondContact O-N 3.28Å | ||
| 187 | P | 38.7 | Very low | 34.7 | Very low | 107 Ų | 107 | 111.2 Ų | 111.2 | 70% | 0.695 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -55.4 | -27.7 | 177.1 | -27.8 | 34.5 | 0 | 0 | 0 | 115 | D189 W190 | P187-D189 VanDerWaalsContact C-N 3.26Å; P187-D189 PolarHBondContact O-N 2.86Å; P187-W190 PolarHBondContact O-N 3.48Å |
| 188 | A | 43.2 | Very low | 35.1 | Very low | 75 Ų | 75 | 116 Ų | 116 | 62% | 0.62 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -64.2 | -29.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R186 W190 | R186-A188 PolarHBondContact O-N 2.9Å; R186-A188 VanDerWaalsContact O-N 3.1Å; A188-W190 VanDerWaalsContact C-N 3.25Å; A188-W190 PolarHBondContact O-N 3.34Å |
| 189 | D | 41.7 | Very low | 35.8 | Very low | 116 Ų | 116 | 112.4 Ų | 112.4 | 62% | 0.62 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -76.1 | -14 | -176.2 | -58.5 | -35.3 | 0 | 0 | 0 | 112.5 | R186 P187 | R186-D189 PolarHBondContact O-N 3.28Å; P187-D189 VanDerWaalsContact C-N 3.26Å; P187-D189 PolarHBondContact O-N 2.86Å |
| 190 | W | 38.1 | Very low | 36.5 | Very low | 133 Ų | 133 | 114.2 Ų | 114.2 | 50% | 0.504 | 60% | 0.596 | S | S | . | * | G | 310 helix | trans | -86.2 | -23.6 | -179 | 106.3 | -52.1 | 0 | 0 | 0 | 113.7 | P187 A188 A192 T193 F194 | P187-W190 PolarHBondContact O-N 3.48Å; A188-W190 VanDerWaalsContact C-N 3.25Å; A188-W190 PolarHBondContact O-N 3.34Å; W190-A192 PolarHBondContact O-N 2.97Å; W190-T193 PolarHBondContact O-N 3.31Å; W190-F194 AromaticContact CD2-CD2 3.93Å; W190-F194 HydrophobicContact CD2-CD2 3.93Å; W190-F194 HydrophobicContact CD2-CE2 4.33Å; W190-F194 AromaticContact CE3-CD2 3.3Å; W190-F194 HydrophobicContact CE3-CD2 3.3Å; W190-F194 AromaticContact CE3-CE2 3.33Å; W190-F194 HydrophobicContact CE3-CE2 3.33Å; W190-F194 HydrophobicContact CE3-CG 4.02Å; W190-F194 HydrophobicContact CE3-CZ 4.05Å; W190-F194 HydrophobicContact CH2-CG 4.45Å; W190-F194 HydrophobicContact CZ3-CD1 4.18Å; W190-F194 AromaticContact CZ3-CD2 3.64Å; W190-F194 HydrophobicContact CZ3-CD2 3.64Å; W190-F194 HydrophobicContact CZ3-CE1 4.14Å; W190-F194 AromaticContact CZ3-CE2 3.6Å; W190-F194 HydrophobicContact CZ3-CE2 3.6Å; W190-F194 AromaticContact CZ3-CG 3.93Å; W190-F194 HydrophobicContact CZ3-CG 3.93Å; W190-F194 AromaticContact CZ3-CZ 3.85Å; W190-F194 HydrophobicContact CZ3-CZ 3.85Å |
| 191 | Q | 37.8 | Very low | 36.8 | Very low | 135 Ų | 135 | 112.9 Ų | 112.9 | 63% | 0.631 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -76.8 | -28.3 | -156 | -135.8 | 172.8 | 12.5 | 0 | 0 | 113.2 | S195 | Q191-S195 PolarHBondContact O-OG 2.8Å |
| 192 | A | 36.2 | Very low | 37.5 | Very low | 72 Ų | 72 | 111.8 Ų | 111.8 | 60% | 0.595 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -75.2 | -27.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | W190 S195 | W190-A192 PolarHBondContact O-N 2.97Å; A192-S195 PolarHBondContact O-OG 2.87Å |
| 193 | T | 35.2 | Very low | 38.3 | Very low | 86 Ų | 86 | 114.8 Ų | 114.8 | 53% | 0.528 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -86.2 | -29.4 | -173.9 | -21.9 | 0 | 0 | 0 | 0 | 112.8 | W190 S197 | W190-T193 PolarHBondContact O-N 3.31Å; T193-S197 PolarHBondContact O-OG 2.94Å; T193-S197 VanDerWaalsContact O-OG 3.14Å |
| 194 | F | 33.1 | Very low | 39 | Very low | 91 Ų | 91 | 114.2 Ų | 114.2 | 40% | 0.399 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -85.9 | -22.9 | -179.2 | -87.9 | -85.8 | 0 | 0 | 0 | 114.2 | P177 W190 S197 R198 | P177-F194 HydrophobicContact CB-CE1 4.45Å; W190-F194 AromaticContact CD2-CD2 3.93Å; W190-F194 HydrophobicContact CD2-CD2 3.93Å; W190-F194 HydrophobicContact CD2-CE2 4.33Å; W190-F194 AromaticContact CE3-CD2 3.3Å; W190-F194 HydrophobicContact CE3-CD2 3.3Å; W190-F194 AromaticContact CE3-CE2 3.33Å; W190-F194 HydrophobicContact CE3-CE2 3.33Å; W190-F194 HydrophobicContact CE3-CG 4.02Å; W190-F194 HydrophobicContact CE3-CZ 4.05Å; W190-F194 HydrophobicContact CH2-CG 4.45Å; W190-F194 HydrophobicContact CZ3-CD1 4.18Å; W190-F194 AromaticContact CZ3-CD2 3.64Å; W190-F194 HydrophobicContact CZ3-CD2 3.64Å; W190-F194 HydrophobicContact CZ3-CE1 4.14Å; W190-F194 AromaticContact CZ3-CE2 3.6Å; W190-F194 HydrophobicContact CZ3-CE2 3.6Å; W190-F194 AromaticContact CZ3-CG 3.93Å; W190-F194 HydrophobicContact CZ3-CG 3.93Å; W190-F194 AromaticContact CZ3-CZ 3.85Å; W190-F194 HydrophobicContact CZ3-CZ 3.85Å; F194-S197 PolarHBondContact O-OG 3.49Å; F194-R198 WeakPolarHBondContact O-CB 3.4Å; F194-R198 PolarHBondContact O-N 3.42Å |
| 195 | S | 37.1 | Very low | 39.4 | Very low | 56 Ų | 56 | 112.2 Ų | 112.2 | 39% | 0.392 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -73.6 | -40 | 179.4 | 36.7 | 0 | 0 | 0 | 0 | 111.8 | Q191 A192 I199 | Q191-S195 PolarHBondContact O-OG 2.8Å; A192-S195 PolarHBondContact O-OG 2.87Å; S195-I199 WeakPolarHBondContact O-CD1 3.32Å; S195-I199 WeakPolarHBondContact O-CG1 3.38Å; S195-I199 PolarHBondContact O-N 2.92Å |
| 196 | N | 37.2 | Very low | 40.1 | Very low | 106 Ų | 106 | 112.5 Ų | 112.5 | 57% | 0.567 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -71.2 | -43.8 | 179.5 | -72.1 | -21.8 | 0 | 0 | 0 | 113.2 | R198 I199 E200 | N196-R198 VanDerWaalsContact C-N 3.33Å; N196-R198 PolarHBondContact O-N 3.49Å; N196-I199 PolarHBondContact O-N 3.26Å; N196-E200 PolarHBondContact O-N 3.39Å |
| 197 | S | 39.5 | Very low | 40.9 | Very low | 61 Ų | 61 | 109.5 Ų | 109.5 | 43% | 0.427 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66 | -32.8 | -179.7 | 50.3 | 0 | 0 | 0 | 0 | 113.2 | T193 F194 A201 | T193-S197 PolarHBondContact O-OG 2.94Å; T193-S197 VanDerWaalsContact O-OG 3.14Å; F194-S197 PolarHBondContact O-OG 3.49Å; S197-A201 VanDerWaalsContact O-CB 3.27Å; S197-A201 WeakPolarHBondContact O-CB 3.42Å; S197-A201 PolarHBondContact O-N 2.91Å |
| 198 | R | 35.8 | Very low | 41.3 | Very low | 187 Ų | 187 | 111.8 Ų | 111.8 | 71% | 0.706 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -72.9 | -33.3 | 176.4 | -170.4 | 174.6 | 166.8 | 169.7 | -4.1 | 112.9 | F194 N196 N202 | F194-R198 WeakPolarHBondContact O-CB 3.4Å; F194-R198 PolarHBondContact O-N 3.42Å; N196-R198 VanDerWaalsContact C-N 3.33Å; N196-R198 PolarHBondContact O-N 3.49Å; R198-N202 WeakPolarHBondContact O-CB 3.37Å; R198-N202 PolarHBondContact O-N 3.18Å; R198-N202 PolarHBondContact O-ND2 3.46Å |
| 199 | I | 41 | Very low | 41.5 | Very low | 102 Ų | 102 | 118 Ų | 118 | 52% | 0.523 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -72.9 | -40.1 | 176.4 | -66.4 | 169.2 | 0 | 0 | 0 | 110.3 | S195 N196 R203 | S195-I199 WeakPolarHBondContact O-CD1 3.32Å; S195-I199 WeakPolarHBondContact O-CG1 3.38Å; S195-I199 PolarHBondContact O-N 2.92Å; N196-I199 PolarHBondContact O-N 3.26Å; I199-R203 PolarHBondContact O-N 3.31Å |
| 200 | E | 42.5 | Very low | 42.1 | Very low | 127 Ų | 127 | 119.9 Ų | 119.9 | 59% | 0.593 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.9 | -42.5 | 177 | -77.7 | 178.2 | 163 | 0 | 0 | 113.1 | N196 N202 R203 N204 | N196-E200 PolarHBondContact O-N 3.39Å; E200-N202 VanDerWaalsContact C-N 3.31Å; E200-N202 PolarHBondContact O-N 2.83Å; E200-R203 PolarHBondContact O-N 2.85Å; E200-N204 PolarHBondContact O-N 3.33Å |
| 201 | A | 37.7 | Very low | 42.6 | Very low | 62 Ų | 62 | 116.4 Ų | 116.4 | 51% | 0.512 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.8 | -39 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S197 Y205 | S197-A201 VanDerWaalsContact O-CB 3.27Å; S197-A201 WeakPolarHBondContact O-CB 3.42Å; S197-A201 PolarHBondContact O-N 2.91Å; A201-Y205 WeakPolarHBondContact O-CB 3.45Å; A201-Y205 PolarHBondContact O-N 3.49Å |
| 202 | N | 42.9 | Very low | 42.5 | Very low | 92 Ų | 92 | 113.6 Ų | 113.6 | 49% | 0.492 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -70.3 | -35.5 | 175.2 | -89.7 | -32.2 | 0 | 0 | 0 | 112.9 | R198 E200 Q206 | R198-N202 WeakPolarHBondContact O-CB 3.37Å; R198-N202 PolarHBondContact O-N 3.18Å; R198-N202 PolarHBondContact O-ND2 3.46Å; E200-N202 VanDerWaalsContact C-N 3.31Å; E200-N202 PolarHBondContact O-N 2.83Å; N202-Q206 PolarHBondContact O-N 3.2Å |
| 203 | R | 48.1 | Very low | 42.5 | Very low | 172 Ų | 172 | 117.9 Ų | 117.9 | 65% | 0.649 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64 | -45.4 | 173.4 | -96.7 | -177.5 | 171.2 | 165.6 | -1.6 | 112 | I199 E200 Q206 H207 | I199-R203 PolarHBondContact O-N 3.31Å; E200-R203 PolarHBondContact O-N 2.85Å; R203-Q206 PolarHBondContact O-N 3.38Å; R203-H207 PolarHBondContact O-N 3Å |
| 204 | N | 48.9 | Very low | 42.5 | Very low | 108 Ų | 108 | 120.3 Ų | 120.3 | 58% | 0.578 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.7 | -37.4 | 178.4 | -76.3 | -15.3 | 0 | 0 | 0 | 112.1 | E200 H207 F208 | E200-N204 PolarHBondContact O-N 3.33Å; N204-H207 PolarHBondContact O-N 3.34Å; N204-F208 PolarHBondContact O-N 2.88Å |
| 205 | Y | 43.7 | Very low | 42.6 | Very low | 154 Ų | 154 | 120.4 Ų | 120.4 | 60% | 0.604 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.5 | -39.6 | 174.7 | -172.5 | -99.7 | 0 | 0 | 0 | 112.5 | A201 F208 R209 | A201-Y205 WeakPolarHBondContact O-CB 3.45Å; A201-Y205 PolarHBondContact O-N 3.49Å; Y205-F208 PolarHBondContact O-N 2.72Å; Y205-R209 WeakPolarHBondContact O-CB 3.46Å; Y205-R209 PolarHBondContact O-N 3.34Å |
| 206 | Q | 47.1 | Very low | 42.3 | Very low | 123 Ų | 123 | 123.3 Ų | 123.3 | 58% | 0.575 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.3 | -42.7 | 172.9 | -81.1 | -175.3 | -18.9 | 0 | 0 | 111.8 | N202 R203 F208 R209 E210 | N202-Q206 PolarHBondContact O-N 3.2Å; R203-Q206 PolarHBondContact O-N 3.38Å; Q206-F208 PolarHBondContact O-N 2.91Å; Q206-R209 PolarHBondContact O-N 3.4Å; Q206-E210 WeakPolarHBondContact O-CG 3.36Å; Q206-E210 PolarHBondContact O-N 2.92Å |
| 207 | H | 52.6 | Low | 41.9 | Very low | 134 Ų | 134 | 122.2 Ų | 122.2 | 62% | 0.62 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -62.6 | -38.5 | 176.2 | -112.5 | -68.9 | 0 | 0 | 0 | 113.2 | R203 N204 S211 | R203-H207 PolarHBondContact O-N 3Å; N204-H207 PolarHBondContact O-N 3.34Å; H207-S211 WeakPolarHBondContact O-CB 3.33Å; H207-S211 PolarHBondContact O-N 2.96Å; H207-S211 VanDerWaalsContact O-N 3.11Å; H207-S211 PolarHBondContact O-OG 2.89Å |
| 208 | F | 48.9 | Very low | 41.2 | Very low | 155 Ų | 155 | 126 Ų | 126 | 68% | 0.68 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -70.1 | -33.5 | 175.3 | -104.8 | -81.2 | 0 | 0 | 0 | 112.7 | N204 Y205 Q206 | N204-F208 PolarHBondContact O-N 2.88Å; Y205-F208 PolarHBondContact O-N 2.72Å; Q206-F208 PolarHBondContact O-N 2.91Å |
| 209 | R | 46.1 | Very low | 40.9 | Very low | 205 Ų | 205 | 125.2 Ų | 125.2 | 77% | 0.774 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -74.4 | -29 | 177.8 | -154.5 | -177.7 | -178.5 | -160.4 | -0.2 | 112.5 | Y205 Q206 | Y205-R209 WeakPolarHBondContact O-CB 3.46Å; Y205-R209 PolarHBondContact O-N 3.34Å; Q206-R209 PolarHBondContact O-N 3.4Å |
| 210 | E | 53.7 | Low | 40.1 | Very low | 157 Ų | 157 | 125.6 Ų | 125.6 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -85.9 | -24.1 | 178.7 | -72 | 177.3 | -179.4 | 0 | 0 | 113.7 | Q206 | Q206-E210 WeakPolarHBondContact O-CG 3.36Å; Q206-E210 PolarHBondContact O-N 2.92Å |
| 211 | S | 49.6 | Very low | 39.4 | Very low | 60 Ų | 60 | 124.2 Ų | 124.2 | 42% | 0.42 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -86.9 | -13.8 | -172.5 | 50.9 | 0 | 0 | 0 | 0 | 116 | H207 Q213 | H207-S211 WeakPolarHBondContact O-CB 3.33Å; H207-S211 PolarHBondContact O-N 2.96Å; H207-S211 VanDerWaalsContact O-N 3.11Å; H207-S211 PolarHBondContact O-OG 2.89Å; S211-Q213 WeakPolarHBondContact O-CG 3.47Å; S211-Q213 PolarHBondContact O-N 2.91Å |
| 212 | G | 35.2 | Very low | 38.9 | Very low | 76 Ų | 76 | 128 Ų | 128 | 78% | 0.784 | 69% | 0.693 | S | S | * | * | trans | 56.5 | 10.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 213 | Q | 37.6 | Very low | 38.2 | Very low | 162 Ų | 162 | 129.3 Ų | 129.3 | 76% | 0.757 | 71% | 0.707 | S | S | * | * | trans | -112.2 | 122.8 | -172.7 | -78.7 | -179.4 | -2.6 | 0 | 0 | 112.1 | S211 | S211-Q213 WeakPolarHBondContact O-CG 3.47Å; S211-Q213 PolarHBondContact O-N 2.91Å | ||
| 214 | T | 33.8 | Very low | 37 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 83% | 0.834 | 72% | 0.717 | S | S | * | * | trans | -90.8 | 122.5 | 165.5 | 43.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 215 | P | 35.6 | Very low | 35.9 | Very low | 94 Ų | 94 | 133.1 Ų | 133.1 | 61% | 0.61 | 73% | 0.733 | S | S | * | * | trans | -87.3 | 133.2 | 174.1 | -0.5 | 19.1 | 0 | 0 | 0 | 111.9 | W133 | W133-P215 HydrophobicContact CH2-CB 4.38Å; W133-P215 HydrophobicContact CZ2-CB 4.42Å; W133-P215 HydrophobicContact CZ2-CG 4.29Å | ||
| 216 | S | 31.5 | Very low | 35 | Very low | 117 Ų | 117 | 133 Ų | 133 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | -104.5 | 150 | 170.4 | -83.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 217 | A | 27.3 | Very low | 34 | Very low | 83 Ų | 83 | 131.6 Ų | 131.6 | 69% | 0.686 | 75% | 0.753 | S | S | * | * | trans | 98.5 | 139 | 148.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 218 | D | 25.8 | Very low | 32.6 | Very low | 141 Ų | 141 | 132 Ų | 132 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | trans | 76.2 | 95.5 | 156.5 | -73.8 | -13.6 | 0 | 0 | 0 | 121.8 | ||||
| 219 | L | 28.2 | Very low | 31.5 | Very low | 170 Ų | 170 | 132.1 Ų | 132.1 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | trans | -138.1 | 82.1 | 152.4 | -73 | 176.7 | 0 | 0 | 0 | 110.7 | ||||
| 220 | S | 25.3 | Very low | 30.7 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -97.3 | 62.1 | 171.5 | 47.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 221 | S | 27.1 | Very low | 29.4 | Very low | 98 Ų | 98 | 128.1 Ų | 128.1 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | trans | -171.7 | 66.3 | 175.1 | 60.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 222 | V | 27.6 | Very low | 28.4 | Very low | 140 Ų | 140 | 133.4 Ų | 133.4 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | -147.5 | 137.6 | 158.2 | -171.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 223 | P | 28.2 | Very low | 28 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | trans | -76.7 | 145 | -159.9 | -11.9 | 28.8 | 0 | 0 | 0 | 115.1 | ||||
| 224 | Q | 23.3 | Very low | 27.6 | Very low | 183 Ų | 183 | 138.2 Ų | 138.2 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -64.6 | 130.5 | 171.1 | -71.8 | 173.9 | -37.8 | 0 | 0 | 112.1 | ||||
| 225 | L | 26.7 | Very low | 27.3 | Very low | 177 Ų | 177 | 136.2 Ų | 136.2 | 93% | 0.927 | 79% | 0.791 | S | S | * | * | trans | -113 | 115.4 | 158 | -96.4 | 159.1 | 0 | 0 | 0 | 107.9 | A227 | L225-A227 PolarHBondContact O-N 2.98Š| ||
| 226 | N | 24.9 | Very low | 27 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | -60.5 | 121.7 | -174.7 | -79.9 | -28.5 | 0 | 0 | 0 | 112.6 | ||||
| 227 | A | 24.5 | Very low | 26.9 | Very low | 95 Ų | 95 | 139.6 Ų | 139.6 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -91.3 | 111.5 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | L225 L229 | L225-A227 PolarHBondContact O-N 2.98Å; A227-L229 PolarHBondContact O-N 3.27Å | ||
| 228 | T | 24.7 | Very low | 27.1 | Very low | 141 Ų | 141 | 145.8 Ų | 145.8 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | -68.8 | 111.5 | 166.5 | 21.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 229 | L | 24.9 | Very low | 27.4 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | -72 | 138.1 | 165.3 | -83.1 | 144 | 0 | 0 | 0 | 110.5 | A227 | A227-L229 PolarHBondContact O-N 3.27Š| ||
| 230 | P | 28.4 | Very low | 27.6 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | -87.9 | 104.2 | 150.6 | 27.9 | -16.2 | 0 | 0 | 0 | 108.4 | E232 | P230-E232 PolarHBondContact O-N 3.48Š| ||
| 231 | D | 28.3 | Very low | 28.1 | Very low | 153 Ų | 153 | 143.4 Ų | 143.4 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -81.9 | 99.2 | 165.7 | -149.1 | 1.9 | 0 | 0 | 0 | 106.6 | ||||
| 232 | E | 28.6 | Very low | 28.4 | Very low | 171 Ų | 171 | 144.1 Ų | 144.1 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | -143.3 | 106.8 | 167.8 | -128.7 | 178.8 | -168.6 | 0 | 0 | 109.8 | P230 V234 | P230-E232 PolarHBondContact O-N 3.48Å; E232-V234 PolarHBondContact O-N 3.36Å; E232-V234 VanDerWaalsContact O-N 3.07Å | ||
| 233 | R | 25.9 | Very low | 28.9 | Very low | 243 Ų | 243 | 147.5 Ų | 147.5 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | trans | -68.6 | 98.3 | 172 | -69.8 | -178.5 | 178.5 | -164.4 | -1 | 108.9 | A235 | R233-A235 PolarHBondContact O-N 2.95Š| ||
| 234 | V | 28.6 | Very low | 29 | Very low | 97 Ų | 97 | 148.4 Ų | 148.4 | 59% | 0.588 | 80% | 0.798 | S | S | * | * | trans | -83.5 | 97 | 165.1 | -176 | 0 | 0 | 0 | 0 | 108.1 | E232 H236 | E232-V234 PolarHBondContact O-N 3.36Å; E232-V234 VanDerWaalsContact O-N 3.07Å; V234-H236 PolarHBondContact O-N 2.84Å | ||
| 235 | A | 27.8 | Very low | 29.4 | Very low | 93 Ų | 93 | 144.3 Ų | 144.3 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -65.6 | 115 | 161 | 0 | 0 | 0 | 0 | 0 | 107.9 | R233 | R233-A235 PolarHBondContact O-N 2.95Š| ||
| 236 | H | 29.5 | Very low | 29.6 | Very low | 139 Ų | 139 | 144.8 Ų | 144.8 | 64% | 0.644 | 79% | 0.788 | S | S | * | * | trans | -90 | 103.8 | 168 | -78.7 | -62.8 | 0 | 0 | 0 | 108.6 | V234 Y238 | V234-H236 PolarHBondContact O-N 2.84Å; H236-Y238 HydrophobicContact CB-CD2 4.5Å; H236-Y238 HydrophobicContact CB-CE2 4.09Å; H236-Y238 VanDerWaalsContact O-CD2 3.31Å; H236-Y238 WeakPolarHBondContact O-CD2 3.38Å; H236-Y238 PolarHBondContact O-N 3.47Å | ||
| 237 | D | 30.6 | Very low | 29.8 | Very low | 144 Ų | 144 | 141.1 Ų | 141.1 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | -59.4 | 114.6 | 162.6 | -90.9 | -27.5 | 0 | 0 | 0 | 108.9 | D239 | D237-D239 VanDerWaalsContact C-N 3.31Š| ||
| 238 | Y | 30.5 | Very low | 29.9 | Very low | 212 Ų | 212 | 145.7 Ų | 145.7 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | -88.6 | 11 | 175.5 | -82.6 | -82.1 | 0 | 0 | 0 | 113.5 | H236 | H236-Y238 HydrophobicContact CB-CD2 4.5Å; H236-Y238 HydrophobicContact CB-CE2 4.09Å; H236-Y238 VanDerWaalsContact O-CD2 3.31Å; H236-Y238 WeakPolarHBondContact O-CD2 3.38Å; H236-Y238 PolarHBondContact O-N 3.47Å | ||
| 239 | D | 31.2 | Very low | 30 | Very low | 153 Ų | 153 | 143.7 Ų | 143.7 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -99.7 | 20.2 | -169.9 | -79.1 | -23 | 0 | 0 | 0 | 116.3 | D237 | D237-D239 VanDerWaalsContact C-N 3.31Š| ||
| 240 | T | 33.1 | Very low | 30.1 | Very low | 123 Ų | 123 | 143 Ų | 143 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -120.1 | 109.5 | 173.1 | 32.4 | 0 | 0 | 0 | 0 | 112.9 | P242 | T240-P242 WeakPolarHBondContact O-CD 3.32Š| ||
| 241 | A | 35.7 | Very low | 30.1 | Very low | 95 Ų | 95 | 144.1 Ų | 144.1 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -58.8 | 121.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | K243 | A241-K243 PolarHBondContact O-N 2.99Š| ||
| 242 | P | 33.8 | Very low | 30.1 | Very low | 113 Ų | 113 | 142 Ų | 142 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -68.7 | 121.1 | 176.7 | 24.7 | -29.9 | 0 | 0 | 0 | 110.1 | T240 L244 | T240-P242 WeakPolarHBondContact O-CD 3.32Å; P242-L244 PolarHBondContact O-N 2.83Å | ||
| 243 | K | 37.2 | Very low | 30.1 | Very low | 212 Ų | 212 | 140.2 Ų | 140.2 | 92% | 0.922 | 78% | 0.775 | S | S | * | * | trans | -63.5 | 102.3 | 170.8 | -72.1 | 176 | 178.7 | 173.4 | 0 | 109.3 | A241 | A241-K243 PolarHBondContact O-N 2.99Š| ||
| 244 | L | 31.1 | Very low | 30.2 | Very low | 138 Ų | 138 | 134.8 Ų | 134.8 | 72% | 0.723 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 146.5 | 172.3 | -77.5 | 163.8 | 0 | 0 | 0 | 111.1 | P242 | P242-L244 PolarHBondContact O-N 2.83Š|
| 245 | P | 31 | Very low | 30.2 | Very low | 97 Ų | 97 | 134.9 Ų | 134.9 | 63% | 0.63 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 145.3 | 179.7 | -18.7 | 30.1 | 0 | 0 | 0 | 112.9 | G247 | P245-G247 PolarHBondContact O-N 2.91Š|
| 246 | I | 31.5 | Very low | 30.3 | Very low | 187 Ų | 187 | 136.6 Ų | 136.6 | 96% | 0.959 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | 119.2 | 177.1 | -59.2 | 165.5 | 0 | 0 | 0 | 109.6 | ||
| 247 | G | 28.9 | Very low | 30.3 | Very low | 74 Ų | 74 | 135 Ų | 135 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 146 | -11.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | P245 | P245-G247 PolarHBondContact O-N 2.91Š|
| 248 | Y | 26.1 | Very low | 30.3 | Very low | 192 Ų | 192 | 131.4 Ų | 131.4 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | trans | -101.4 | 116.2 | 179.1 | -71.1 | -86.5 | 0 | 0 | 0 | 111.7 | ||||
| 249 | S | 26.6 | Very low | 30.3 | Very low | 99 Ų | 99 | 131.8 Ų | 131.8 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | trans | -72.5 | 126.4 | 175.8 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | I251 | S249-I251 VanDerWaalsContact C-N 3.34Å; S249-I251 PolarHBondContact O-N 3.01Å | ||
| 250 | T | 28 | Very low | 30.4 | Very low | 142 Ų | 142 | 131.9 Ų | 131.9 | 87% | 0.871 | 75% | 0.752 | S | S | * | * | trans | -91.1 | 49.4 | 179.8 | 51.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 251 | I | 28.4 | Very low | 30.4 | Very low | 149 Ų | 149 | 128.8 Ų | 128.8 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | trans | -125.9 | 81.8 | 179.4 | -46.5 | 173.8 | 0 | 0 | 0 | 110 | S249 | S249-I251 VanDerWaalsContact C-N 3.34Å; S249-I251 PolarHBondContact O-N 3.01Å | ||
| 252 | S | 28.9 | Very low | 30.2 | Very low | 108 Ų | 108 | 126.5 Ų | 126.5 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | trans | -174.6 | 105.6 | 146.9 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | T254 | S252-T254 PolarHBondContact O-N 3.19Š| ||
| 253 | T | 27.1 | Very low | 30.1 | Very low | 135 Ų | 135 | 123.6 Ų | 123.6 | 83% | 0.828 | 70% | 0.701 | S | S | * | * | trans | -73.3 | 104.4 | 173.7 | 45.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 254 | T | 29.5 | Very low | 29.9 | Very low | 128 Ų | 128 | 119.2 Ų | 119.2 | 79% | 0.785 | 69% | 0.687 | S | S | * | * | trans | -174.1 | 114.2 | 146.4 | 38.6 | 0 | 0 | 0 | 0 | 109.1 | S252 | S252-T254 PolarHBondContact O-N 3.19Š| ||
| 255 | S | 27.2 | Very low | 30.1 | Very low | 100 Ų | 100 | 118 Ų | 118 | 70% | 0.699 | 68% | 0.678 | S | S | * | * | trans | 19.9 | 131.2 | 161.2 | -169.4 | 0 | 0 | 0 | 0 | 119.3 | M257 | S255-M257 PolarHBondContact O-N 3.48Š| ||
| 256 | P | 30.8 | Very low | 30.2 | Very low | 129 Ų | 129 | 117.7 Ų | 117.7 | 84% | 0.838 | 68% | 0.678 | S | S | * | * | trans | -60.8 | 102.6 | 173.3 | 27.5 | -32.7 | 0 | 0 | 0 | 110.2 | C258 | P256-C258 PolarHBondContact O-N 3.45Š| ||
| 257 | M | 29.5 | Very low | 30.4 | Very low | 105 Ų | 105 | 114 Ų | 114 | 52% | 0.517 | 67% | 0.667 | S | S | . | * | trans | -65.9 | 132.4 | 170.8 | -73.9 | -168 | -58.4 | 0 | 0 | 109.3 | S255 C261 | S255-M257 PolarHBondContact O-N 3.48Å; M257-C261 HydrophobicContact CB-CB 4.2Å; M257-C261 HydrophobicContact SD-CB 4.42Å | ||
| 258 | C | 30.5 | Very low | 30.7 | Very low | 69 Ų | 69 | 115.5 Ų | 115.5 | 47% | 0.466 | 66% | 0.662 | S | S | . | * | trans | -62.5 | 153.6 | 174.6 | 76.9 | 0 | 0 | 0 | 0 | 110.9 | P256 Q260 C261 A262 | P256-C258 PolarHBondContact O-N 3.45Å; C258-Q260 PolarHBondContact O-N 3.33Å; C258-C261 PolarHBondContact O-N 2.99Å; C258-C261 VanDerWaalsContact SG-SG 3.61Å; C258-A262 PolarHBondContact O-N 3.2Å; C258-A262 VanDerWaalsContact O-N 3.13Å | ||
| 259 | R | 29.6 | Very low | 31 | Very low | 220 Ų | 220 | 117.4 Ų | 117.4 | 83% | 0.83 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -51.9 | -27.5 | -178.8 | -105.5 | 179.7 | 170.1 | 178.2 | -3 | 114.1 | A263 | R259-A263 PolarHBondContact O-N 3.26Å |
| 260 | Q | 33.2 | Very low | 31.3 | Very low | 154 Ų | 154 | 121.3 Ų | 121.3 | 72% | 0.72 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -76.7 | -32 | 177.1 | -73.1 | 166.7 | -16.7 | 0 | 0 | 112.9 | C258 L264 | C258-Q260 PolarHBondContact O-N 3.33Å; Q260-L264 PolarHBondContact O-N 3.26Å |
| 261 | C | 34.2 | Very low | 31.7 | Very low | 58 Ų | 58 | 120.6 Ų | 120.6 | 39% | 0.392 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -75.4 | -31 | 171.9 | -67.6 | 0 | 0 | 0 | 0 | 112.2 | M257 C258 L264 Q265 | M257-C261 HydrophobicContact CB-CB 4.2Å; M257-C261 HydrophobicContact SD-CB 4.42Å; C258-C261 PolarHBondContact O-N 2.99Å; C258-C261 VanDerWaalsContact SG-SG 3.61Å; C261-L264 PolarHBondContact O-N 2.87Å; C261-Q265 PolarHBondContact O-N 3.13Å |
| 262 | A | 31.1 | Very low | 31.6 | Very low | 47 Ų | 47 | 124 Ų | 124 | 39% | 0.388 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -65.7 | -37.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | C258 Q265 S266 | C258-A262 PolarHBondContact O-N 3.2Å; C258-A262 VanDerWaalsContact O-N 3.13Å; A262-Q265 PolarHBondContact O-N 3.48Å; A262-S266 PolarHBondContact O-N 3.49Å; A262-S266 VanDerWaalsContact O-N 3.09Å; A262-S266 PolarHBondContact O-OG 3.38Å |
| 263 | A | 32.2 | Very low | 31.9 | Very low | 52 Ų | 52 | 124.3 Ų | 124.3 | 43% | 0.43 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -66.4 | -34.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | R259 S266 | R259-A263 PolarHBondContact O-N 3.26Å; A263-S266 WeakPolarHBondContact CA-OG 3.46Å; A263-S266 PolarHBondContact O-N 3.19Å; A263-S266 PolarHBondContact O-OG 3.26Å |
| 264 | L | 32.8 | Very low | 32.3 | Very low | 121 Ų | 121 | 122.7 Ų | 122.7 | 63% | 0.634 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -74.4 | -29 | 175.6 | -75.5 | 163.7 | 0 | 0 | 0 | 113.1 | Q260 C261 T268 | Q260-L264 PolarHBondContact O-N 3.26Å; C261-L264 PolarHBondContact O-N 2.87Å; L264-T268 PolarHBondContact O-OG1 3.47Å |
| 265 | Q | 34.6 | Very low | 32.5 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 52% | 0.523 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -75.3 | -29.2 | 171.1 | -80.7 | -164 | -3.3 | 0 | 0 | 113.4 | C261 A262 C267 T268 | C261-Q265 PolarHBondContact O-N 3.13Å; A262-Q265 PolarHBondContact O-N 3.48Å; Q265-C267 PolarHBondContact O-N 2.86Å; Q265-T268 WeakPolarHBondContact CA-OG1 3.36Å; Q265-T268 PolarHBondContact O-N 3.2Å; Q265-T268 PolarHBondContact O-OG1 3.47Å |
| 266 | S | 34.3 | Very low | 32.9 | Very low | 90 Ų | 90 | 127 Ų | 127 | 63% | 0.629 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -69.4 | -17.9 | 174.1 | 51.1 | 0 | 0 | 0 | 0 | 113.9 | A262 A263 | A262-S266 PolarHBondContact O-N 3.49Å; A262-S266 VanDerWaalsContact O-N 3.09Å; A262-S266 PolarHBondContact O-OG 3.38Å; A263-S266 WeakPolarHBondContact CA-OG 3.46Å; A263-S266 PolarHBondContact O-N 3.19Å; A263-S266 PolarHBondContact O-OG 3.26Å |
| 267 | C | 34.1 | Very low | 33.1 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 74% | 0.736 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -6.3 | 176.4 | -68.6 | 0 | 0 | 0 | 0 | 114.2 | Q265 | Q265-C267 PolarHBondContact O-N 2.86Š|
| 268 | T | 35.8 | Very low | 33.4 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 65% | 0.65 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -109.1 | 7.2 | -174.7 | 42.3 | 0 | 0 | 0 | 0 | 114.3 | L264 Q265 K270 | L264-T268 PolarHBondContact O-OG1 3.47Å; Q265-T268 WeakPolarHBondContact CA-OG1 3.36Å; Q265-T268 PolarHBondContact O-N 3.2Å; Q265-T268 PolarHBondContact O-OG1 3.47Å; T268-K270 PolarHBondContact O-N 3.45Å |
| 269 | R | 33.1 | Very low | 33.6 | Very low | 233 Ų | 233 | 136.2 Ų | 136.2 | 88% | 0.879 | 71% | 0.706 | S | S | * | * | trans | -97.7 | 68.2 | 172.1 | -78.1 | -172.7 | 174.2 | -179.1 | -0.3 | 112.5 | ||||
| 270 | K | 32.1 | Very low | 34.3 | Very low | 181 Ų | 181 | 134.2 Ų | 134.2 | 79% | 0.787 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -134 | 125.3 | 144.7 | -74.4 | -173.2 | -178.9 | 176.4 | 0 | 107.3 | T268 Y272 | T268-K270 PolarHBondContact O-N 3.45Å; K270-Y272 PolarHBondContact O-N 2.96Å |
| 271 | P | 36.6 | Very low | 34.9 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 83% | 0.825 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -62 | 125.4 | 178.5 | 26.4 | -30.5 | 0 | 0 | 0 | 108.1 | ||
| 272 | Y | 26.4 | Very low | 35.4 | Very low | 219 Ų | 219 | 135.6 Ų | 135.6 | 86% | 0.859 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 128 | 169.4 | -87.9 | -96.4 | 0 | 0 | 0 | 108.9 | K270 S274 | K270-Y272 PolarHBondContact O-N 2.96Å; Y272-S274 PolarHBondContact O-N 3.45Å |
| 273 | P | 34.9 | Very low | 35.9 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 75% | 0.747 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 132.3 | 159.9 | 25 | -23.9 | 0 | 0 | 0 | 107.6 | ||
| 274 | S | 35.4 | Very low | 36.7 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 146.6 | -175.1 | 67.2 | 0 | 0 | 0 | 0 | 111.9 | Y272 D276 | Y272-S274 PolarHBondContact O-N 3.45Å; S274-D276 PolarHBondContact O-N 3Å |
| 275 | M | 33.6 | Very low | 37.4 | Very low | 168 Ų | 168 | 136.9 Ų | 136.9 | 83% | 0.828 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -73.3 | 32.7 | -175.3 | -81.5 | -85.6 | -74.6 | 0 | 0 | 114.6 | ||
| 276 | D | 36.1 | Very low | 37.9 | Very low | 150 Ų | 150 | 137 Ų | 137 | 80% | 0.802 | 72% | 0.724 | S | S | * | * | trans | -122.4 | 97.2 | 179.4 | -75.1 | -41.3 | 0 | 0 | 0 | 110.8 | S274 | S274-D276 PolarHBondContact O-N 3Š| ||
| 277 | G | 34.5 | Very low | 38.6 | Very low | 71 Ų | 71 | 138 Ų | 138 | 73% | 0.732 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 124.9 | 122.5 | 166 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 278 | R | 36.3 | Very low | 39.4 | Very low | 245 Ų | 245 | 137.4 Ų | 137.4 | 93% | 0.925 | 71% | 0.712 | S | S | * | * | trans | 89 | 60.9 | 175.5 | -50.8 | -177.1 | -167.9 | -164.3 | 2.9 | 116.3 | ||||
| 279 | K | 35.6 | Very low | 39.8 | Very low | 181 Ų | 181 | 140.8 Ų | 140.8 | 79% | 0.787 | 72% | 0.718 | S | S | * | * | trans | -95 | 148.7 | 146.1 | -69.3 | 179.7 | 178.2 | 176.4 | 0 | 107.5 | ||||
| 280 | E | 42.8 | Very low | 40.3 | Very low | 178 Ų | 178 | 134 Ų | 134 | 83% | 0.832 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 107.6 | -13.3 | 164.2 | -58.9 | 179.5 | 166.7 | 0 | 0 | 121 | T284 | E280-T284 PolarHBondContact O-OG1 3.07Š|
| 281 | S | 46.1 | Very low | 40.9 | Very low | 78 Ų | 78 | 131.5 Ų | 131.5 | 55% | 0.545 | 69% | 0.694 | S | S | . | * | S | Bend | trans | -104.3 | -34.1 | 178.4 | 62.6 | 0 | 0 | 0 | 0 | 116.1 | T284 D285 | S281-T284 PolarHBondContact O-OG1 3.32Å; S281-D285 PolarHBondContact O-N 3.33Å |
| 282 | Q | 44.4 | Very low | 41.1 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 76% | 0.757 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -82.3 | -22.5 | -175.9 | -89.6 | -177.6 | -16.9 | 0 | 0 | 114.9 | L286 | Q282-L286 PolarHBondContact O-N 3.49Å |
| 283 | A | 41.6 | Very low | 41.4 | Very low | 69 Ų | 69 | 133.9 Ų | 133.9 | 57% | 0.57 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -78.9 | -32.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L287 | A283-L287 WeakPolarHBondContact O-CB 3.39Å; A283-L287 WeakPolarHBondContact O-CD1 3.34Å; A283-L287 PolarHBondContact O-N 3.21Å; A283-L287 VanDerWaalsContact O-N 3.16Å |
| 284 | T | 49.2 | Very low | 41.6 | Very low | 72 Ų | 72 | 136.3 Ų | 136.3 | 44% | 0.442 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -77.4 | -35.4 | 177.7 | 11.7 | 0 | 0 | 0 | 0 | 112.1 | E280 S281 L287 N288 | E280-T284 PolarHBondContact O-OG1 3.07Å; S281-T284 PolarHBondContact O-OG1 3.32Å; T284-L287 PolarHBondContact O-N 3.26Å; T284-N288 WeakPolarHBondContact O-CB 3.27Å; T284-N288 PolarHBondContact O-N 3.1Å; T284-N288 PolarHBondContact O-ND2 3.17Å |
| 285 | D | 48.8 | Very low | 41.5 | Very low | 106 Ų | 106 | 143 Ų | 143 | 57% | 0.567 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -68.7 | -37.7 | 173.5 | -76.4 | -20.4 | 0 | 0 | 0 | 112.2 | S281 N288 F289 | S281-D285 PolarHBondContact O-N 3.33Å; D285-N288 PolarHBondContact O-N 3.47Å; D285-F289 WeakPolarHBondContact O-CB 3.29Å; D285-F289 PolarHBondContact O-N 2.89Å |
| 286 | L | 45.2 | Very low | 41.3 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 60% | 0.602 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -67.5 | -34 | 172.8 | -101 | 150.2 | 0 | 0 | 0 | 112.7 | Q282 L290 | Q282-L286 PolarHBondContact O-N 3.49Å; L286-L290 WeakPolarHBondContact O-CD1 3.33Å; L286-L290 VanDerWaalsContact O-CG 3.27Å; L286-L290 WeakPolarHBondContact O-CG 3.4Å; L286-L290 PolarHBondContact O-N 3.32Å |
| 287 | L | 47.9 | Very low | 41.1 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 59% | 0.586 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -73.9 | -34.6 | 174.1 | -89.4 | 156.6 | 0 | 0 | 0 | 112.6 | A283 T284 L290 N291 | A283-L287 WeakPolarHBondContact O-CB 3.39Å; A283-L287 WeakPolarHBondContact O-CD1 3.34Å; A283-L287 PolarHBondContact O-N 3.21Å; A283-L287 VanDerWaalsContact O-N 3.16Å; T284-L287 PolarHBondContact O-N 3.26Å; L287-L290 PolarHBondContact O-N 2.84Å; L287-N291 WeakPolarHBondContact O-CB 3.45Å; L287-N291 PolarHBondContact O-N 3.33Å |
| 288 | N | 50.3 | Low | 41 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 51% | 0.513 | 71% | 0.714 | S | S | . | * | H | α-helix | trans | -72.7 | -32.4 | 174.9 | -79.3 | -24.3 | 0 | 0 | 0 | 112.7 | T284 D285 L290 N291 | T284-N288 WeakPolarHBondContact O-CB 3.27Å; T284-N288 PolarHBondContact O-N 3.1Å; T284-N288 PolarHBondContact O-ND2 3.17Å; D285-N288 PolarHBondContact O-N 3.47Å; N288-L290 VanDerWaalsContact C-N 3.27Å; N288-L290 PolarHBondContact O-N 3.06Å; N288-N291 PolarHBondContact O-N 3.22Å |
| 289 | F | 45.9 | Very low | 40.9 | Very low | 176 Ų | 176 | 140.1 Ų | 140.1 | 77% | 0.772 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -68.8 | -26.5 | 175.4 | -147.5 | -90.4 | 0 | 0 | 0 | 112.7 | D285 | D285-F289 WeakPolarHBondContact O-CB 3.29Å; D285-F289 PolarHBondContact O-N 2.89Å |
| 290 | L | 42.8 | Very low | 40.7 | Very low | 91 Ų | 91 | 137 Ų | 137 | 48% | 0.476 | 70% | 0.703 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.8 | -8.1 | 177.8 | -65.9 | 161.7 | 0 | 0 | 0 | 113.6 | L286 L287 N288 R303 | L286-L290 WeakPolarHBondContact O-CD1 3.33Å; L286-L290 VanDerWaalsContact O-CG 3.27Å; L286-L290 WeakPolarHBondContact O-CG 3.4Å; L286-L290 PolarHBondContact O-N 3.32Å; L287-L290 PolarHBondContact O-N 2.84Å; N288-L290 VanDerWaalsContact C-N 3.27Å; N288-L290 PolarHBondContact O-N 3.06Å; L290-R303 VanDerWaalsContact CD2-NH2 3.33Å |
| 291 | N | 45.5 | Very low | 40.3 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 68% | 0.684 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -107.3 | -0.3 | -175.6 | -113.1 | -13.6 | 0 | 0 | 0 | 114.3 | L287 N288 Q293 | L287-N291 WeakPolarHBondContact O-CB 3.45Å; L287-N291 PolarHBondContact O-N 3.33Å; N288-N291 PolarHBondContact O-N 3.22Å; N291-Q293 PolarHBondContact O-N 3.19Å |
| 292 | R | 38.9 | Very low | 39.7 | Very low | 219 Ų | 219 | 139.7 Ų | 139.7 | 83% | 0.826 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -92.7 | 90.2 | 176.4 | -78.3 | -173 | 172.9 | -173.1 | -1.2 | 111.5 | ||
| 293 | Q | 33.8 | Very low | 39 | Very low | 178 Ų | 178 | 141 Ų | 141 | 83% | 0.832 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 19.8 | 96.5 | 140.6 | -63.7 | 177.9 | -11.9 | 0 | 0 | 117 | N291 | N291-Q293 PolarHBondContact O-N 3.19Š|
| 294 | D | 38.7 | Very low | 38.6 | Very low | 165 Ų | 165 | 144.8 Ų | 144.8 | 88% | 0.882 | 72% | 0.723 | S | S | * | * | trans | 176.5 | 63.7 | 142 | -90 | -20.4 | 0 | 0 | 0 | 110.4 | ||||
| 295 | R | 33.6 | Very low | 37.5 | Very low | 242 Ų | 242 | 146.3 Ų | 146.3 | 91% | 0.913 | 74% | 0.743 | S | S | * | * | trans | -129.7 | 127.5 | 167.1 | -98.5 | -169.8 | 178.6 | -167.9 | -1.2 | 110.9 | ||||
| 296 | P | 30 | Very low | 36.6 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | trans | -64.2 | 137.9 | 160.1 | -8.1 | 24.5 | 0 | 0 | 0 | 108.9 | ||||
| 297 | T | 31.1 | Very low | 35.9 | Very low | 138 Ų | 138 | 147.4 Ų | 147.4 | 85% | 0.847 | 76% | 0.76 | S | S | * | * | trans | -31.2 | 121.8 | 175.8 | 20.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 298 | M | 33.1 | Very low | 35 | Very low | 171 Ų | 171 | 147.8 Ų | 147.8 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | trans | -164 | 103.5 | 142.8 | -91.1 | -87.7 | -108.5 | 0 | 0 | 109.5 | ||||
| 299 | I | 34.1 | Very low | 33.9 | Very low | 145 Ų | 145 | 153.2 Ų | 153.2 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | trans | 49.5 | 129 | 141.1 | -49.9 | 177.8 | 0 | 0 | 0 | 119.6 | ||||
| 300 | P | 31.1 | Very low | 33.6 | Very low | 116 Ų | 116 | 149.6 Ų | 149.6 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | trans | -87.2 | 115 | -166.7 | 34.1 | -32.4 | 0 | 0 | 0 | 113.9 | ||||
| 301 | T | 34.4 | Very low | 32.9 | Very low | 123 Ų | 123 | 151.8 Ų | 151.8 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -88.4 | 115.1 | 162.1 | 49.4 | 0 | 0 | 0 | 0 | 110.6 | R303 | T301-R303 PolarHBondContact O-N 3.46Š| ||
| 302 | H | 33.9 | Very low | 32.1 | Very low | 189 Ų | 189 | 151.7 Ų | 151.7 | 88% | 0.875 | 80% | 0.795 | S | S | * | * | trans | -56.1 | 114.9 | 170.3 | -90.2 | -92.2 | 0 | 0 | 0 | 111 | L304 | H302-L304 PolarHBondContact O-N 3.01Š| ||
| 303 | R | 29.8 | Very low | 31.8 | Very low | 189 Ų | 189 | 145.5 Ų | 145.5 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | -70.5 | 116.5 | 168.7 | -78.3 | -178.9 | 169.2 | -167.4 | 1.1 | 110.6 | L290 T301 | L290-R303 VanDerWaalsContact CD2-NH2 3.33Å; T301-R303 PolarHBondContact O-N 3.46Å | ||
| 304 | L | 31.5 | Very low | 31.6 | Very low | 149 Ų | 149 | 145.9 Ų | 145.9 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | trans | -109.5 | 110.9 | 150.9 | -82.1 | 167 | 0 | 0 | 0 | 107.7 | H302 V306 | H302-L304 PolarHBondContact O-N 3.01Å; L304-V306 PolarHBondContact O-N 3.39Å; L304-V306 VanDerWaalsContact O-N 3.14Å | ||
| 305 | A | 26.7 | Very low | 31.6 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | -66.6 | 106 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 306 | V | 29.2 | Very low | 31.6 | Very low | 124 Ų | 124 | 139 Ų | 139 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 118.7 | 169.6 | -179.8 | 0 | 0 | 0 | 0 | 107.6 | L304 | L304-V306 PolarHBondContact O-N 3.39Å; L304-V306 VanDerWaalsContact O-N 3.14Å |
| 307 | P | 30.6 | Very low | 31.7 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 138.1 | 177.3 | 26.9 | -30.8 | 0 | 0 | 0 | 110.5 | ||
| 308 | T | 29.8 | Very low | 31.7 | Very low | 121 Ų | 121 | 138 Ų | 138 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 123.8 | -177 | 22.2 | 0 | 0 | 0 | 0 | 112.6 | ||
| 309 | Y | 27.8 | Very low | 31.8 | Very low | 209 Ų | 209 | 134.2 Ų | 134.2 | 82% | 0.82 | 75% | 0.75 | S | S | * | * | trans | 80.2 | 156.5 | 151 | -76.5 | -70.7 | 0 | 0 | 0 | 121.3 | ||||
| 310 | P | 38.8 | Very low | 31.9 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | cis | -136.5 | 170.3 | -6.3 | 38.4 | -19.1 | 0 | 0 | 0 | 116.7 | ||||
| 311 | I | 29.3 | Very low | 32.1 | Very low | 138 Ų | 138 | 138 Ų | 138 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | trans | 69.4 | 77.2 | 163.1 | -36.2 | -178.1 | 0 | 0 | 0 | 116 | C313 | I311-C313 PolarHBondContact O-N 2.93Š| ||
| 312 | C | 28.5 | Very low | 32.2 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 85% | 0.851 | 75% | 0.749 | S | S | * | * | trans | -75.3 | 105.7 | 154.7 | -78.3 | 0 | 0 | 0 | 0 | 108.4 | H314 | C312-H314 PolarHBondContact O-N 3.24Š| ||
| 313 | C | 32.2 | Very low | 32.4 | Very low | 89 Ų | 89 | 129.4 Ų | 129.4 | 60% | 0.601 | 73% | 0.725 | S | S | * | * | trans | -53 | 127.3 | 163.1 | -61.2 | 0 | 0 | 0 | 0 | 108.9 | I311 V315 | I311-C313 PolarHBondContact O-N 2.93Å; C313-V315 PolarHBondContact O-N 3.49Å | ||
| 314 | H | 29.8 | Very low | 33 | Very low | 186 Ų | 186 | 130.5 Ų | 130.5 | 86% | 0.861 | 73% | 0.729 | S | S | * | * | trans | -52.6 | 103.1 | 162.2 | -109.3 | -85.9 | 0 | 0 | 0 | 107.9 | C312 E316 | C312-H314 PolarHBondContact O-N 3.24Å; H314-E316 PolarHBondContact O-N 3.49Å | ||
| 315 | V | 37.3 | Very low | 33.7 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 79% | 0.788 | 73% | 0.73 | S | S | * | * | trans | -88.4 | 96.9 | 165.4 | -179.3 | 0 | 0 | 0 | 0 | 105.1 | C313 E317 | C313-V315 PolarHBondContact O-N 3.49Å; V315-E317 PolarHBondContact O-N 3.41Å | ||
| 316 | E | 34.3 | Very low | 34.7 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 62% | 0.617 | 70% | 0.701 | S | S | * | * | trans | -55 | 123.9 | 166.5 | -71.9 | 179.9 | 150 | 0 | 0 | 109.1 | L168 H314 A318 | L168-E316 HydrophobicContact CD1-CG 4.37Å; H314-E316 PolarHBondContact O-N 3.49Å; E316-A318 PolarHBondContact O-N 3.18Å | ||
| 317 | E | 32.6 | Very low | 35.9 | Very low | 167 Ų | 167 | 125.7 Ų | 125.7 | 78% | 0.78 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 77.3 | 172.7 | -75 | 175.6 | 144.9 | 0 | 0 | 110 | V315 | V315-E317 PolarHBondContact O-N 3.41Š|
| 318 | A | 31.9 | Very low | 36.8 | Very low | 72 Ų | 72 | 125.2 Ų | 125.2 | 60% | 0.595 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -162.9 | -9.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | L168 E316 | L168-A318 HydrophobicContact CD2-CB 4.19Å; E316-A318 PolarHBondContact O-N 3.18Å |
| 319 | A | 35.1 | Very low | 37.7 | Very low | 90 Ų | 90 | 125.3 Ų | 125.3 | 74% | 0.744 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -113.4 | 115.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 320 | N | 36.3 | Very low | 39 | Very low | 137 Ų | 137 | 115.8 Ų | 115.8 | 73% | 0.733 | 62% | 0.622 | S | S | * | * | trans | -11.3 | 119.7 | 164.6 | -72.1 | -38 | 0 | 0 | 0 | 116.2 | S322 | N320-S322 VanDerWaalsContact C-N 3.33Å; N320-S322 PolarHBondContact O-N 3.43Å | ||
| 321 | H | 34.9 | Very low | 40 | Very low | 203 Ų | 203 | 113 Ų | 113 | 94% | 0.94 | 61% | 0.606 | S | S | * | * | trans | -57.2 | 82.7 | 177.6 | -48.9 | -63 | 0 | 0 | 0 | 112.8 | ||||
| 322 | S | 36.7 | Very low | 41.4 | Very low | 79 Ų | 79 | 111.3 Ų | 111.3 | 55% | 0.552 | 60% | 0.596 | S | S | * | * | trans | -101.3 | 121.5 | 157 | 57.9 | 0 | 0 | 0 | 0 | 107.5 | N320 R324 | N320-S322 VanDerWaalsContact C-N 3.33Å; N320-S322 PolarHBondContact O-N 3.43Å; S322-R324 PolarHBondContact O-N 3.32Å | ||
| 323 | C | 36.5 | Very low | 43 | Very low | 54 Ų | 54 | 108.7 Ų | 108.7 | 37% | 0.365 | 57% | 0.57 | S | S | . | * | trans | -63.6 | 83 | 178.6 | -167 | 0 | 0 | 0 | 0 | 109.2 | Y325 L326 | C323-Y325 PolarHBondContact O-N 3.4Å; C323-Y325 PolarHBondContact SG-O 3.34Å; C323-L326 WeakPolarHBondContact O-CD2 3.17Å | ||
| 324 | R | 44.4 | Very low | 44.3 | Very low | 211 Ų | 211 | 109 Ų | 109 | 80% | 0.796 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -68.9 | -15.1 | 177.6 | -84.2 | -173 | 175.1 | -174.7 | -1.1 | 112.7 | S322 | S322-R324 PolarHBondContact O-N 3.32Š|
| 325 | Y | 45.5 | Very low | 45.8 | Very low | 205 Ų | 205 | 107 Ų | 107 | 80% | 0.804 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -110.8 | 78.5 | 170.7 | -64.3 | -81.7 | 0 | 0 | 0 | 108.7 | C323 C327 | C323-Y325 PolarHBondContact O-N 3.4Å; C323-Y325 PolarHBondContact SG-O 3.34Å; Y325-C327 PolarHBondContact O-N 3.33Å |
| 326 | L | 47.8 | Very low | 47 | Very low | 47 Ų | 47 | 108 Ų | 108 | 25% | 0.246 | 54% | 0.539 | C | S | . | . | trans | -60.6 | 119 | -175.3 | -65.2 | 155.6 | 0 | 0 | 0 | 109.6 | C323 C330 A331 R334 I356 | C323-L326 WeakPolarHBondContact O-CD2 3.17Å; L326-C330 HydrophobicContact CB-CB 4.01Å; L326-C330 HydrophobicContact CD2-CB 3.34Å; L326-C330 HydrophobicContact CG-CB 4.27Å; L326-A331 HydrophobicContact CB-CB 3.84Å; L326-R334 HydrophobicContact CD1-CB 4.3Å; L326-R334 VanDerWaalsContact CD1-CD 3.41Å; L326-I356 HydrophobicContact CD2-CD1 3.98Å | ||
| 327 | C | 53 | Low | 48.2 | Very low | 23 Ų | 23 | 105.5 Ų | 105.5 | 16% | 0.155 | 53% | 0.527 | C | S | . | . | trans | -57.4 | 158.3 | 162.7 | 100.6 | 0 | 0 | 0 | 0 | 108.9 | Y325 Y329 C330 A331 C364 S366 | Y325-C327 PolarHBondContact O-N 3.33Å; C327-Y329 PolarHBondContact O-N 3.19Å; C327-C330 PolarHBondContact O-N 2.81Å; C327-A331 PolarHBondContact O-N 3.46Å; C327-C364 PolarHBondContact SG-SG 2.92Å; C327-S366 PolarHBondContact SG-OG 3.31Å; C327-S366 VanDerWaalsContact SG-OG 3.39Å | ||
| 328 | P | 50.2 | Low | 49.5 | Very low | 111 Ų | 111 | 101.7 Ų | 101.7 | 72% | 0.721 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -48.4 | -37.1 | -174.7 | -26.4 | 32.2 | 0 | 0 | 0 | 113.5 | A331 E332 | P328-A331 PolarHBondContact O-N 3.39Å; P328-E332 WeakPolarHBondContact O-CB 3.37Å; P328-E332 PolarHBondContact O-N 3.32Å |
| 329 | Y | 48.3 | Very low | 50.7 | Low | 122 Ų | 122 | 101 Ų | 101 | 48% | 0.478 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.1 | -46.8 | 177.2 | -172.7 | -98.9 | 0 | 0 | 0 | 113.3 | C327 A331 E332 K333 C364 | C327-Y329 PolarHBondContact O-N 3.19Å; Y329-A331 VanDerWaalsContact C-N 3.31Å; Y329-E332 PolarHBondContact O-N 2.97Å; Y329-K333 PolarHBondContact O-N 3.04Å; Y329-C364 HydrophobicContact CD1-CB 4.4Å |
| 330 | C | 55.6 | Low | 51.8 | Low | 10 Ų | 10 | 102.5 Ų | 102.5 | 7% | 0.068 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -70.8 | -31.5 | 177.9 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | L326 C327 R334 I356 | L326-C330 HydrophobicContact CB-CB 4.01Å; L326-C330 HydrophobicContact CD2-CB 3.34Å; L326-C330 HydrophobicContact CG-CB 4.27Å; C327-C330 PolarHBondContact O-N 2.81Å; C330-R334 WeakPolarHBondContact O-CB 3.19Å; C330-R334 PolarHBondContact O-N 2.99Å; C330-I356 HydrophobicContact CB-CD1 4.32Å |
| 331 | A | 59.2 | Low | 52.6 | Low | 40 Ų | 40 | 101 Ų | 101 | 33% | 0.331 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66 | -44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L326 C327 P328 Y329 R334 H335 | L326-A331 HydrophobicContact CB-CB 3.84Å; C327-A331 PolarHBondContact O-N 3.46Å; P328-A331 PolarHBondContact O-N 3.39Å; Y329-A331 VanDerWaalsContact C-N 3.31Å; A331-R334 PolarHBondContact O-N 2.9Å; A331-H335 WeakPolarHBondContact O-CB 3.32Å; A331-H335 PolarHBondContact O-N 3.1Å |
| 332 | E | 59.2 | Low | 53.4 | Low | 104 Ų | 104 | 101.8 Ų | 101.8 | 49% | 0.486 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 176.3 | -163.1 | -176.3 | 158 | 0 | 0 | 111.9 | P328 Y329 R334 H335 R336 | P328-E332 WeakPolarHBondContact O-CB 3.37Å; P328-E332 PolarHBondContact O-N 3.32Å; Y329-E332 PolarHBondContact O-N 2.97Å; E332-R334 PolarHBondContact O-N 3.18Å; E332-H335 WeakPolarHBondContact O-CB 3.08Å; E332-H335 PolarHBondContact O-N 2.98Å; E332-R336 PolarHBondContact O-N 3.45Å; E332-R336 IonicContact OE1-CZ 3.78Å; E332-R336 IonicContact OE1-NE 3.41Å; E332-R336 IonicContact OE1-NH2 3.98Å; E332-R336 PolarHBondContact OE1-NH2 3.05Å |
| 333 | K | 62.9 | Low | 54.2 | Low | 70 Ų | 70 | 104.9 Ų | 104.9 | 30% | 0.304 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.4 | -39 | 178.4 | -144.4 | -175.9 | -173.9 | -169.9 | 0 | 111.9 | Y329 H335 R336 Q337 D360 | Y329-K333 PolarHBondContact O-N 3.04Å; K333-H335 VanDerWaalsContact C-N 3.34Å; K333-R336 PolarHBondContact O-N 3.32Å; K333-Q337 PolarHBondContact O-N 3.1Å; K333-D360 IonicContact NZ-OD1 3.85Å; K333-D360 PolarHBondContact NZ-OD1 3.24Å; K333-D360 IonicContact NZ-OD2 3.78Å; K333-D360 PolarHBondContact NZ-OD2 3.42Å |
| 334 | R | 58.8 | Low | 54.9 | Low | 96 Ų | 96 | 113.4 Ų | 113.4 | 36% | 0.362 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.2 | -35.4 | 174.1 | -157.2 | 178 | -158 | -171.5 | 9.8 | 112.1 | L326 C330 A331 E332 R336 Q337 N338 | L326-R334 HydrophobicContact CD1-CB 4.3Å; L326-R334 VanDerWaalsContact CD1-CD 3.41Å; C330-R334 WeakPolarHBondContact O-CB 3.19Å; C330-R334 PolarHBondContact O-N 2.99Å; A331-R334 PolarHBondContact O-N 2.9Å; E332-R334 PolarHBondContact O-N 3.18Å; R334-R336 VanDerWaalsContact C-N 3.31Å; R334-Q337 PolarHBondContact O-N 2.94Å; R334-N338 WeakPolarHBondContact O-CB 3.29Å; R334-N338 PolarHBondContact O-N 3.42Å |
| 335 | H | 60.3 | Low | 54.9 | Low | 144 Ų | 144 | 111.8 Ų | 111.8 | 67% | 0.667 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67 | -33.6 | 175 | -151.8 | -57.8 | 0 | 0 | 0 | 112.2 | A331 E332 K333 S339 | A331-H335 WeakPolarHBondContact O-CB 3.32Å; A331-H335 PolarHBondContact O-N 3.1Å; E332-H335 WeakPolarHBondContact O-CB 3.08Å; E332-H335 PolarHBondContact O-N 2.98Å; K333-H335 VanDerWaalsContact C-N 3.34Å; H335-S339 PolarHBondContact O-N 3.18Å; H335-S339 VanDerWaalsContact O-N 3.12Å; H335-S339 PolarHBondContact O-OG 3.3Å |
| 336 | R | 62.8 | Low | 55 | Low | 150 Ų | 150 | 109.2 Ų | 109.2 | 57% | 0.566 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -70.1 | -41.9 | 173.1 | -68.2 | -173.8 | -168.3 | -167.1 | 4.8 | 112.6 | E332 K333 R334 S339 D340 | E332-R336 PolarHBondContact O-N 3.45Å; E332-R336 IonicContact OE1-CZ 3.78Å; E332-R336 IonicContact OE1-NE 3.41Å; E332-R336 IonicContact OE1-NH2 3.98Å; E332-R336 PolarHBondContact OE1-NH2 3.05Å; K333-R336 PolarHBondContact O-N 3.32Å; R334-R336 VanDerWaalsContact C-N 3.31Å; R336-S339 WeakPolarHBondContact CA-OG 3.26Å; R336-S339 PolarHBondContact O-N 3.18Å; R336-S339 PolarHBondContact O-OG 3.4Å; R336-D340 PolarHBondContact O-N 3.49Å |
| 337 | Q | 61.2 | Low | 55 | Low | 81 Ų | 81 | 114.6 Ų | 114.6 | 38% | 0.379 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 175.1 | -76.3 | -178.4 | -28.9 | 0 | 0 | 111.9 | K333 R334 S339 D340 E341 | K333-Q337 PolarHBondContact O-N 3.1Å; R334-Q337 PolarHBondContact O-N 2.94Å; Q337-S339 VanDerWaalsContact C-N 3.27Å; Q337-S339 PolarHBondContact O-N 3.33Å; Q337-D340 PolarHBondContact O-N 2.77Å; Q337-E341 PolarHBondContact O-N 3.22Å; Q337-E341 VanDerWaalsContact O-N 3.15Å |
| 338 | N | 59.1 | Low | 54.6 | Low | 87 Ų | 87 | 123.6 Ų | 123.6 | 47% | 0.465 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.6 | -24.2 | 175.8 | -74.2 | 1.6 | 0 | 0 | 0 | 113.5 | R334 | R334-N338 WeakPolarHBondContact O-CB 3.29Å; R334-N338 PolarHBondContact O-N 3.42Å |
| 339 | S | 57.9 | Low | 54.5 | Low | 57 Ų | 57 | 121.9 Ų | 121.9 | 40% | 0.399 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -82 | -31.1 | 175.5 | 57.3 | 0 | 0 | 0 | 0 | 112.9 | H335 R336 Q337 | H335-S339 PolarHBondContact O-N 3.18Å; H335-S339 VanDerWaalsContact O-N 3.12Å; H335-S339 PolarHBondContact O-OG 3.3Å; R336-S339 WeakPolarHBondContact CA-OG 3.26Å; R336-S339 PolarHBondContact O-N 3.18Å; R336-S339 PolarHBondContact O-OG 3.4Å; Q337-S339 VanDerWaalsContact C-N 3.27Å; Q337-S339 PolarHBondContact O-N 3.33Å |
| 340 | D | 56.6 | Low | 54.4 | Low | 121 Ų | 121 | 121.8 Ų | 121.8 | 65% | 0.647 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -76.8 | -29.6 | 177.2 | -76.5 | -21 | 0 | 0 | 0 | 112.4 | R336 Q337 R342 | R336-D340 PolarHBondContact O-N 3.49Å; Q337-D340 PolarHBondContact O-N 2.77Å; D340-R342 VanDerWaalsContact C-N 3.29Å; D340-R342 PolarHBondContact O-N 3.04Å |
| 341 | E | 53 | Low | 53.9 | Low | 106 Ų | 106 | 129 Ų | 129 | 50% | 0.495 | 63% | 0.632 | S | S | . | * | G | 310 helix | trans | -71.2 | -17.5 | 175 | -85.8 | 174.9 | 163.3 | 0 | 0 | 113.9 | Q337 I343 R344 | Q337-E341 PolarHBondContact O-N 3.22Å; Q337-E341 VanDerWaalsContact O-N 3.15Å; E341-I343 PolarHBondContact O-N 3.48Å; E341-I343 VanDerWaalsContact O-N 3.13Å; E341-R344 PolarHBondContact O-N 3.39Å |
| 342 | R | 51.7 | Low | 53.2 | Low | 219 Ų | 219 | 132.1 Ų | 132.1 | 83% | 0.826 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -71.7 | -0.1 | 176 | -80.1 | -169.9 | -173.7 | -160.3 | 0.4 | 114.8 | D340 | D340-R342 VanDerWaalsContact C-N 3.29Å; D340-R342 PolarHBondContact O-N 3.04Å |
| 343 | I | 54.3 | Low | 52.4 | Low | 144 Ų | 144 | 131.8 Ų | 131.8 | 74% | 0.738 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -104.5 | 0.8 | -179.5 | -55.5 | 177 | 0 | 0 | 0 | 111.9 | E341 | E341-I343 PolarHBondContact O-N 3.48Å; E341-I343 VanDerWaalsContact O-N 3.13Å |
| 344 | R | 50.3 | Low | 51.4 | Low | 233 Ų | 233 | 130.6 Ų | 130.6 | 88% | 0.879 | 66% | 0.656 | S | S | * | * | trans | -123.9 | 84.7 | 171.2 | -95.3 | -177.3 | 153.3 | 119.8 | -4.6 | 110.2 | E341 | E341-R344 PolarHBondContact O-N 3.39Š| ||
| 345 | E | 45 | Very low | 50.9 | Low | 177 Ų | 177 | 133.9 Ų | 133.9 | 83% | 0.827 | 67% | 0.668 | S | S | * | * | trans | -72.2 | 148.4 | 155.8 | -68.7 | 178.7 | 162 | 0 | 0 | 108 | ||||
| 346 | D | 47.5 | Very low | 50.5 | Low | 151 Ų | 151 | 129.2 Ų | 129.2 | 81% | 0.807 | 65% | 0.647 | S | S | * | * | trans | 82 | 78 | -176.9 | -51.7 | -26.2 | 0 | 0 | 0 | 116 | ||||
| 347 | D | 48.2 | Very low | 49.8 | Very low | 161 Ų | 161 | 124.3 Ų | 124.3 | 86% | 0.861 | 64% | 0.636 | S | S | * | * | -180 | 124.6 | 124.8 | -89.1 | -28.9 | 0 | 0 | 0 | 110.5 | A349 | D347-A349 PolarHBondContact O-N 3.26Š| |||
| 348 | E | 45 | Very low | 49.5 | Very low | 211 Ų | 211 | 125.6 Ų | 125.6 | 99% | 0.986 | 65% | 0.652 | S | S | * | * | trans | -61.9 | 99 | 176.9 | -64.8 | -168.9 | 150.5 | 0 | 0 | 111.4 | ||||
| 349 | A | 48.6 | Very low | 49.2 | Very low | 75 Ų | 75 | 128.5 Ų | 128.5 | 62% | 0.62 | 66% | 0.662 | S | S | * | * | trans | -133.2 | 137.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | D347 L351 | D347-A349 PolarHBondContact O-N 3.26Å; A349-L351 PolarHBondContact O-N 2.74Å | ||
| 350 | P | 45.4 | Very low | 48.9 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 79% | 0.786 | 66% | 0.663 | S | S | * | * | trans | -59.2 | 126.3 | -178.3 | -16.8 | 28.4 | 0 | 0 | 0 | 110.5 | D352 | P350-D352 PolarHBondContact O-N 3.4Š| ||
| 351 | L | 44.7 | Very low | 48.6 | Very low | 160 Ų | 160 | 125.7 Ų | 125.7 | 84% | 0.838 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -65.2 | 68.8 | 176.8 | -67.4 | 164.4 | 0 | 0 | 0 | 111.8 | A349 | A349-L351 PolarHBondContact O-N 2.74Š|
| 352 | D | 45.2 | Very low | 48.5 | Very low | 106 Ų | 106 | 124 Ų | 124 | 57% | 0.567 | 65% | 0.649 | S | S | * | * | trans | -106.1 | 5.5 | 170.5 | -143.4 | -10.7 | 0 | 0 | 0 | 111.5 | P350 R355 | P350-D352 PolarHBondContact O-N 3.4Å; D352-R355 IonicContact OD1-CZ 3.97Å; D352-R355 IonicContact OD1-NE 2.84Å; D352-R355 IonicContact OD1-NH2 3.64Å; D352-R355 PolarHBondContact OD1-NH2 3.34Å; D352-R355 IonicContact OD2-NH2 3.71Å | ||
| 353 | S | 41.7 | Very low | 48.3 | Very low | 98 Ų | 98 | 120.9 Ų | 120.9 | 69% | 0.685 | 64% | 0.643 | S | S | * | * | trans | -88.8 | -2.7 | -174.7 | -61.5 | 0 | 0 | 0 | 0 | 115.3 | R355 | S353-R355 PolarHBondContact O-N 3.14Š| ||
| 354 | A | 43 | Very low | 48.1 | Very low | 45 Ų | 45 | 114.1 Ų | 114.1 | 37% | 0.372 | 61% | 0.609 | S | S | . | * | trans | -79.9 | 31.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I356 | A354-I356 PolarHBondContact O-N 3.33Š| ||
| 355 | R | 47.8 | Very low | 47.9 | Very low | 165 Ų | 165 | 109.9 Ų | 109.9 | 62% | 0.623 | 60% | 0.603 | S | S | * | * | trans | -86.1 | 103.6 | 172.6 | -69.5 | -175.2 | -172.6 | -166.3 | 4.8 | 108.5 | D352 S353 S357 | D352-R355 IonicContact OD1-CZ 3.97Å; D352-R355 IonicContact OD1-NE 2.84Å; D352-R355 IonicContact OD1-NH2 3.64Å; D352-R355 PolarHBondContact OD1-NH2 3.34Å; D352-R355 IonicContact OD2-NH2 3.71Å; S353-R355 PolarHBondContact O-N 3.14Å; R355-S357 PolarHBondContact O-N 2.81Å; R355-S357 VanDerWaalsContact O-N 3.16Å | ||
| 356 | I | 50.7 | Low | 47.9 | Very low | 45 Ų | 45 | 104.1 Ų | 104.1 | 23% | 0.231 | 58% | 0.582 | C | S | . | * | trans | -56.5 | 120 | 164.8 | -59.2 | 170.5 | 0 | 0 | 0 | 106.6 | L326 C330 A354 D360 A361 | L326-I356 HydrophobicContact CD2-CD1 3.98Å; C330-I356 HydrophobicContact CB-CD1 4.32Å; A354-I356 PolarHBondContact O-N 3.33Å; I356-D360 HydrophobicContact CG2-CB 3.85Å; I356-A361 HydrophobicContact CG2-CB 4.43Å | ||
| 357 | S | 49.4 | Very low | 47.8 | Very low | 47 Ų | 47 | 98.1 Ų | 98.1 | 33% | 0.329 | 55% | 0.552 | S | S | . | * | trans | -54 | 137.5 | 177.1 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | R355 E359 D360 A361 | R355-S357 PolarHBondContact O-N 2.81Å; R355-S357 VanDerWaalsContact O-N 3.16Å; S357-E359 PolarHBondContact O-N 3.46Å; S357-E359 VanDerWaalsContact O-N 3.08Å; S357-D360 WeakPolarHBondContact O-CA 3.43Å; S357-D360 WeakPolarHBondContact O-CB 3.47Å; S357-D360 PolarHBondContact O-N 3.12Å; S357-A361 PolarHBondContact O-N 3.07Å | ||
| 358 | P | 53.3 | Low | 47.6 | Very low | 109 Ų | 109 | 93.3 Ų | 93.3 | 71% | 0.708 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -56.6 | -25.7 | 178.5 | 20 | -30.8 | 0 | 0 | 0 | 113 | A361 S362 | P358-A361 PolarHBondContact O-N 3.27Å; P358-S362 PolarHBondContact O-N 2.91Å |
| 359 | E | 54.3 | Low | 47.8 | Very low | 147 Ų | 147 | 87.5 Ų | 87.5 | 69% | 0.687 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.4 | -39.7 | 173.3 | -68.1 | 160.7 | 170 | 0 | 0 | 111.7 | S357 S362 | S357-E359 PolarHBondContact O-N 3.46Å; S357-E359 VanDerWaalsContact O-N 3.08Å; E359-S362 WeakPolarHBondContact O-CB 3.45Å; E359-S362 PolarHBondContact O-N 2.97Å; E359-S362 PolarHBondContact O-OG 3.2Å |
| 360 | D | 51.4 | Low | 47.9 | Very low | 76 Ų | 76 | 88.3 Ų | 88.3 | 41% | 0.406 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -73 | -31.3 | 176.3 | -97.2 | -5.8 | 0 | 0 | 0 | 112.6 | K333 I356 S357 S362 | K333-D360 IonicContact NZ-OD1 3.85Å; K333-D360 PolarHBondContact NZ-OD1 3.24Å; K333-D360 IonicContact NZ-OD2 3.78Å; K333-D360 PolarHBondContact NZ-OD2 3.42Å; I356-D360 HydrophobicContact CG2-CB 3.85Å; S357-D360 WeakPolarHBondContact O-CA 3.43Å; S357-D360 WeakPolarHBondContact O-CB 3.47Å; S357-D360 PolarHBondContact O-N 3.12Å; D360-S362 VanDerWaalsContact C-N 3.29Å |
| 361 | A | 49.5 | Very low | 48.3 | Very low | 43 Ų | 43 | 86.2 Ų | 86.2 | 36% | 0.355 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.7 | -27.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I356 S357 P358 H363 C364 | I356-A361 HydrophobicContact CG2-CB 4.43Å; S357-A361 PolarHBondContact O-N 3.07Å; P358-A361 PolarHBondContact O-N 3.27Å; A361-H363 VanDerWaalsContact C-N 3.31Å; A361-H363 PolarHBondContact O-N 3.3Å; A361-C364 PolarHBondContact O-N 3.34Å |
| 362 | S | 51.4 | Low | 48.8 | Very low | 71 Ų | 71 | 82.6 Ų | 82.6 | 50% | 0.497 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.6 | -23.7 | -178.7 | 78.4 | 0 | 0 | 0 | 0 | 114.2 | P358 E359 D360 C364 | P358-S362 PolarHBondContact O-N 2.91Å; E359-S362 WeakPolarHBondContact O-CB 3.45Å; E359-S362 PolarHBondContact O-N 2.97Å; E359-S362 PolarHBondContact O-OG 3.2Å; D360-S362 VanDerWaalsContact C-N 3.29Å; S362-C364 VanDerWaalsContact C-N 3.35Å |
| 363 | H | 48.1 | Very low | 49.8 | Very low | 153 Ų | 153 | 79.1 Ų | 79.1 | 71% | 0.708 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -5 | -178.4 | -76.3 | 38.4 | 0 | 0 | 0 | 113.8 | A361 L365 | A361-H363 VanDerWaalsContact C-N 3.31Å; A361-H363 PolarHBondContact O-N 3.3Å; H363-L365 PolarHBondContact O-N 3.37Å |
| 364 | C | 48.5 | Very low | 50.9 | Low | 3 Ų | 3 | 79.2 Ų | 79.2 | 2% | 0.02 | 46% | 0.463 | C | S | . | . | trans | -76.3 | 95.4 | 173.8 | -175.4 | 0 | 0 | 0 | 0 | 109.4 | C327 Y329 A361 S362 S366 C367 S368 | C327-C364 PolarHBondContact SG-SG 2.92Å; Y329-C364 HydrophobicContact CD1-CB 4.4Å; A361-C364 PolarHBondContact O-N 3.34Å; S362-C364 VanDerWaalsContact C-N 3.35Å; C364-S366 PolarHBondContact O-N 3.23Å; C364-S366 VanDerWaalsContact O-N 3.09Å; C364-S366 PolarHBondContact SG-OG 3.27Å; C364-C367 HydrophobicContact CB-CB 3.79Å; C364-C367 WeakPolarHBondContact O-CA 3.47Å; C364-C367 PolarHBondContact O-N 3.3Å; C364-C367 PolarHBondContact SG-N 2.94Å; C364-C367 VanDerWaalsContact SG-N 3.43Å; C364-C367 PolarHBondContact SG-SG 3.46Å; C364-S368 PolarHBondContact O-N 3.44Å | ||
| 365 | L | 47.1 | Very low | 52.1 | Low | 143 Ų | 143 | 79.8 Ų | 79.8 | 75% | 0.749 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -51.8 | -29.7 | 176.8 | -84.6 | 156.6 | 0 | 0 | 0 | 113.1 | H363 T369 | H363-L365 PolarHBondContact O-N 3.37Å; L365-T369 WeakPolarHBondContact O-CG2 3.48Å; L365-T369 PolarHBondContact O-N 3.05Å; L365-T369 PolarHBondContact O-OG1 3.02Å |
| 366 | S | 45.3 | Very low | 53.4 | Low | 56 Ų | 56 | 75.6 Ų | 75.6 | 39% | 0.392 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -80.2 | -28.3 | 174.5 | 45.1 | 0 | 0 | 0 | 0 | 113.3 | C327 C364 T369 V370 | C327-S366 PolarHBondContact SG-OG 3.31Å; C327-S366 VanDerWaalsContact SG-OG 3.39Å; C364-S366 PolarHBondContact O-N 3.23Å; C364-S366 VanDerWaalsContact O-N 3.09Å; C364-S366 PolarHBondContact SG-OG 3.27Å; S366-T369 PolarHBondContact O-OG1 3.06Å; S366-V370 WeakPolarHBondContact O-CB 3.34Å; S366-V370 WeakPolarHBondContact O-CG2 3.48Å; S366-V370 PolarHBondContact O-N 3.25Å |
| 367 | C | 45.9 | Very low | 54.6 | Low | 25 Ų | 25 | 78.3 Ų | 78.3 | 17% | 0.169 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -81.3 | -32.4 | 173.1 | -70.7 | 0 | 0 | 0 | 0 | 112.8 | C364 S371 | C364-C367 HydrophobicContact CB-CB 3.79Å; C364-C367 WeakPolarHBondContact O-CA 3.47Å; C364-C367 PolarHBondContact O-N 3.3Å; C364-C367 PolarHBondContact SG-N 2.94Å; C364-C367 VanDerWaalsContact SG-N 3.43Å; C364-C367 PolarHBondContact SG-SG 3.46Å; C367-S371 VanDerWaalsContact O-CB 3.23Å; C367-S371 WeakPolarHBondContact O-CB 3.36Å; C367-S371 PolarHBondContact O-N 3.07Å; C367-S371 PolarHBondContact O-OG 2.72Å |
| 368 | S | 42.2 | Very low | 56 | Low | 60 Ų | 60 | 81.5 Ų | 81.5 | 42% | 0.42 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.6 | -38.1 | 178.7 | 79.5 | 0 | 0 | 0 | 0 | 112.1 | C364 S372 | C364-S368 PolarHBondContact O-N 3.44Å; S368-S372 WeakPolarHBondContact O-CB 3.29Å; S368-S372 PolarHBondContact O-N 3.47Å |
| 369 | T | 50.3 | Low | 57.6 | Low | 90 Ų | 90 | 83 Ų | 83 | 55% | 0.552 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -70.1 | -40.7 | 175.6 | 46.9 | 0 | 0 | 0 | 0 | 112.2 | L365 S366 G373 | L365-T369 WeakPolarHBondContact O-CG2 3.48Å; L365-T369 PolarHBondContact O-N 3.05Å; L365-T369 PolarHBondContact O-OG1 3.02Å; S366-T369 PolarHBondContact O-OG1 3.06Å; T369-G373 PolarHBondContact O-N 3.08Å |
| 370 | V | 51.6 | Low | 59.1 | Low | 92 Ų | 92 | 81.4 Ų | 81.4 | 56% | 0.558 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -68.2 | -40.2 | 174.4 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | S366 G373 M374 | S366-V370 WeakPolarHBondContact O-CB 3.34Å; S366-V370 WeakPolarHBondContact O-CG2 3.48Å; S366-V370 PolarHBondContact O-N 3.25Å; V370-G373 PolarHBondContact O-N 2.71Å; V370-M374 HydrophobicContact CG1-CG 4.17Å; V370-M374 WeakPolarHBondContact O-CB 3.48Å; V370-M374 WeakPolarHBondContact O-CG 3.46Å; V370-M374 PolarHBondContact O-N 3.44Å |
| 371 | S | 53.1 | Low | 60.8 | Low | 77 Ų | 77 | 85.4 Ų | 85.4 | 54% | 0.538 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66 | -40.8 | 178 | -58.2 | 0 | 0 | 0 | 0 | 112 | C367 A375 | C367-S371 VanDerWaalsContact O-CB 3.23Å; C367-S371 WeakPolarHBondContact O-CB 3.36Å; C367-S371 PolarHBondContact O-N 3.07Å; C367-S371 PolarHBondContact O-OG 2.72Å; S371-A375 WeakPolarHBondContact O-CB 3.39Å; S371-A375 PolarHBondContact O-N 3.42Å |
| 372 | S | 54.6 | Low | 62.6 | Low | 84 Ų | 84 | 90 Ų | 90 | 59% | 0.587 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.6 | -42.5 | 174.6 | -174.2 | 0 | 0 | 0 | 0 | 112.1 | S368 A375 S376 | S368-S372 WeakPolarHBondContact O-CB 3.29Å; S368-S372 PolarHBondContact O-N 3.47Å; S372-A375 PolarHBondContact O-N 3.4Å; S372-S376 PolarHBondContact O-N 3.18Å |
| 373 | G | 65.9 | Low | 64.5 | Low | 32 Ų | 32 | 90.4 Ų | 90.4 | 33% | 0.33 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | T369 V370 S376 L377 | T369-G373 PolarHBondContact O-N 3.08Å; V370-G373 PolarHBondContact O-N 2.71Å; G373-S376 PolarHBondContact O-N 3.27Å; G373-L377 WeakPolarHBondContact O-CG 3.46Å; G373-L377 PolarHBondContact O-N 3.35Å |
| 374 | M | 66.2 | Low | 66.5 | Low | 100 Ų | 100 | 85.6 Ų | 85.6 | 49% | 0.493 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 176.6 | -72.1 | -61.1 | -67.6 | 0 | 0 | 112.3 | V370 L377 Q378 | V370-M374 HydrophobicContact CG1-CG 4.17Å; V370-M374 WeakPolarHBondContact O-CB 3.48Å; V370-M374 WeakPolarHBondContact O-CG 3.46Å; V370-M374 PolarHBondContact O-N 3.44Å; M374-L377 PolarHBondContact O-N 3.28Å; M374-L377 HydrophobicContact SD-CD1 4.46Å; M374-Q378 WeakPolarHBondContact O-CB 3.26Å; M374-Q378 VanDerWaalsContact O-CG 3.31Å; M374-Q378 WeakPolarHBondContact O-CG 3.44Å; M374-Q378 PolarHBondContact O-N 3.2Å |
| 375 | A | 66.8 | Low | 68.5 | Low | 58 Ų | 58 | 91.9 Ų | 91.9 | 48% | 0.479 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.2 | -40.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S371 S372 Q378 K379 | S371-A375 WeakPolarHBondContact O-CB 3.39Å; S371-A375 PolarHBondContact O-N 3.42Å; S372-A375 PolarHBondContact O-N 3.4Å; A375-Q378 PolarHBondContact O-N 2.98Å; A375-K379 WeakPolarHBondContact O-CB 3.5Å; A375-K379 PolarHBondContact O-N 3.26Å |
| 376 | S | 75 | Confident | 70.6 | Confident | 76 Ų | 76 | 90.5 Ų | 90.5 | 53% | 0.531 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 174.6 | -167.9 | 0 | 0 | 0 | 0 | 111.9 | S372 G373 Q378 K379 E380 | S372-S376 PolarHBondContact O-N 3.18Å; G373-S376 PolarHBondContact O-N 3.27Å; S376-Q378 PolarHBondContact O-N 3.06Å; S376-K379 PolarHBondContact O-N 3.38Å; S376-E380 WeakPolarHBondContact O-CB 3.45Å; S376-E380 PolarHBondContact O-N 3.42Å |
| 377 | L | 75.9 | Confident | 72.9 | Confident | 102 Ų | 102 | 94.4 Ų | 94.4 | 53% | 0.534 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.5 | -37 | 177.7 | -73.3 | 171.7 | 0 | 0 | 0 | 112.6 | G373 M374 E380 K381 | G373-L377 WeakPolarHBondContact O-CG 3.46Å; G373-L377 PolarHBondContact O-N 3.35Å; M374-L377 PolarHBondContact O-N 3.28Å; M374-L377 HydrophobicContact SD-CD1 4.46Å; L377-E380 PolarHBondContact O-N 3.42Å; L377-K381 VanDerWaalsContact O-CB 3.29Å; L377-K381 WeakPolarHBondContact O-CB 3.41Å; L377-K381 PolarHBondContact O-N 3.36Å |
| 378 | Q | 80.3 | Confident | 75.1 | Confident | 114 Ų | 114 | 100.2 Ų | 100.2 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66 | -39.4 | 173.6 | -77.1 | -176.6 | -0.6 | 0 | 0 | 111.7 | M374 A375 S376 K381 K382 | M374-Q378 WeakPolarHBondContact O-CB 3.26Å; M374-Q378 VanDerWaalsContact O-CG 3.31Å; M374-Q378 WeakPolarHBondContact O-CG 3.44Å; M374-Q378 PolarHBondContact O-N 3.2Å; A375-Q378 PolarHBondContact O-N 2.98Å; S376-Q378 PolarHBondContact O-N 3.06Å; Q378-K381 PolarHBondContact O-N 3.42Å; Q378-K382 WeakPolarHBondContact O-CB 3.5Å; Q378-K382 WeakPolarHBondContact O-CG 3.16Å; Q378-K382 PolarHBondContact O-N 3.07Å |
| 379 | K | 86.9 | Confident | 77.5 | Confident | 141 Ų | 141 | 100.6 Ų | 100.6 | 61% | 0.613 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.6 | -43.7 | 174.8 | -171.8 | 178.6 | 179.5 | -178.2 | 0 | 111.4 | A375 S376 K382 N383 | A375-K379 WeakPolarHBondContact O-CB 3.5Å; A375-K379 PolarHBondContact O-N 3.26Å; S376-K379 PolarHBondContact O-N 3.38Å; K379-K382 PolarHBondContact O-N 3.06Å; K379-N383 WeakPolarHBondContact O-CB 3.35Å; K379-N383 VanDerWaalsContact O-CG 3.26Å; K379-N383 PolarHBondContact O-N 2.96Å; K379-N383 PolarHBondContact O-OD1 3.16Å |
| 380 | E | 84.5 | Confident | 79.6 | Confident | 114 Ų | 114 | 100.7 Ų | 100.7 | 53% | 0.533 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 175.8 | -170.1 | 175.2 | -176.1 | 0 | 0 | 111.6 | S376 L377 K382 N383 A384 | S376-E380 WeakPolarHBondContact O-CB 3.45Å; S376-E380 PolarHBondContact O-N 3.42Å; L377-E380 PolarHBondContact O-N 3.42Å; E380-K382 PolarHBondContact O-N 3.24Å; E380-N383 PolarHBondContact O-N 3.46Å; E380-A384 WeakPolarHBondContact O-CB 3.4Å; E380-A384 PolarHBondContact O-N 2.91Å |
| 381 | K | 87.3 | Confident | 81.7 | Confident | 159 Ų | 159 | 101.2 Ų | 101.2 | 69% | 0.691 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.8 | -41.4 | 174 | -176.2 | -179.9 | 178.5 | -178.9 | 0 | 112.6 | L377 Q378 K385 | L377-K381 VanDerWaalsContact O-CB 3.29Å; L377-K381 WeakPolarHBondContact O-CB 3.41Å; L377-K381 PolarHBondContact O-N 3.36Å; Q378-K381 PolarHBondContact O-N 3.42Å; K381-K385 WeakPolarHBondContact O-CB 3.48Å; K381-K385 PolarHBondContact O-N 3.35Å |
| 382 | K | 88.3 | Confident | 83.7 | Confident | 140 Ų | 140 | 100.8 Ų | 100.8 | 61% | 0.609 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.4 | -43.5 | 175.5 | -76.8 | -178.3 | 180 | -175.2 | 0 | 111 | Q378 K379 E380 K385 Q386 | Q378-K382 WeakPolarHBondContact O-CB 3.5Å; Q378-K382 WeakPolarHBondContact O-CG 3.16Å; Q378-K382 PolarHBondContact O-N 3.07Å; K379-K382 PolarHBondContact O-N 3.06Å; E380-K382 PolarHBondContact O-N 3.24Å; K382-K385 PolarHBondContact O-N 3.33Å; K382-Q386 WeakPolarHBondContact O-CB 3.2Å; K382-Q386 PolarHBondContact O-N 3.28Å |
| 383 | N | 91.1 | Very high | 85.5 | Confident | 79 Ų | 79 | 101.5 Ų | 101.5 | 42% | 0.422 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 176 | -71.1 | -2.1 | 0 | 0 | 0 | 112 | K379 E380 Q386 Q387 | K379-N383 WeakPolarHBondContact O-CB 3.35Å; K379-N383 VanDerWaalsContact O-CG 3.26Å; K379-N383 PolarHBondContact O-N 2.96Å; K379-N383 PolarHBondContact O-OD1 3.16Å; E380-N383 PolarHBondContact O-N 3.46Å; N383-Q386 PolarHBondContact O-N 3.11Å; N383-Q387 WeakPolarHBondContact O-CG 3.36Å; N383-Q387 PolarHBondContact O-N 3.02Å |
| 384 | A | 89.3 | Confident | 86.9 | Confident | 52 Ų | 52 | 105.3 Ų | 105.3 | 43% | 0.43 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.8 | -38.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | E380 Q387 Y388 | E380-A384 WeakPolarHBondContact O-CB 3.4Å; E380-A384 PolarHBondContact O-N 2.91Å; A384-Q387 PolarHBondContact O-N 2.92Å; A384-Y388 WeakPolarHBondContact O-CB 3.45Å; A384-Y388 PolarHBondContact O-N 3.32Å |
| 385 | K | 91.3 | Very high | 88.2 | Confident | 135 Ų | 135 | 104.6 Ų | 104.6 | 59% | 0.587 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.1 | -45.5 | 172.9 | -175.3 | -179.1 | 176.2 | -173.2 | 0 | 111.1 | K381 K382 Q387 Y388 D389 | K381-K385 WeakPolarHBondContact O-CB 3.48Å; K381-K385 PolarHBondContact O-N 3.35Å; K382-K385 PolarHBondContact O-N 3.33Å; K385-Q387 PolarHBondContact O-N 3.46Å; K385-Y388 PolarHBondContact O-N 3.44Å; K385-D389 WeakPolarHBondContact O-CB 3.27Å; K385-D389 VanDerWaalsContact O-CG 3.26Å; K385-D389 PolarHBondContact O-N 2.94Å |
| 386 | Q | 91.9 | Very high | 89.5 | Confident | 115 Ų | 115 | 105.5 Ų | 105.5 | 54% | 0.537 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 178.2 | -173.6 | 172 | 2.5 | 0 | 0 | 111.7 | K382 N383 Y388 D389 D390 | K382-Q386 WeakPolarHBondContact O-CB 3.2Å; K382-Q386 PolarHBondContact O-N 3.28Å; N383-Q386 PolarHBondContact O-N 3.11Å; Q386-Y388 VanDerWaalsContact C-N 3.33Å; Q386-Y388 PolarHBondContact O-N 3.45Å; Q386-D389 PolarHBondContact O-N 3.27Å; Q386-D390 WeakPolarHBondContact O-CB 3.42Å; Q386-D390 PolarHBondContact O-N 3.04Å |
| 387 | Q | 92.6 | Very high | 90.4 | Very high | 138 Ų | 138 | 107.5 Ų | 107.5 | 65% | 0.645 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.6 | -41.6 | 174.4 | -75.7 | 176.2 | -16.8 | 0 | 0 | 112.5 | N383 A384 K385 D390 E391 | N383-Q387 WeakPolarHBondContact O-CG 3.36Å; N383-Q387 PolarHBondContact O-N 3.02Å; A384-Q387 PolarHBondContact O-N 2.92Å; K385-Q387 PolarHBondContact O-N 3.46Å; Q387-D390 PolarHBondContact O-N 3.39Å; Q387-E391 WeakPolarHBondContact O-CB 3.48Å; Q387-E391 PolarHBondContact O-N 3.29Å |
| 388 | Y | 91.9 | Very high | 91.2 | Very high | 146 Ų | 146 | 107.8 Ų | 107.8 | 57% | 0.573 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.6 | -42.9 | 175.7 | 179 | -96.5 | 0 | 0 | 0 | 112.1 | A384 K385 Q386 D390 E391 L392 | A384-Y388 WeakPolarHBondContact O-CB 3.45Å; A384-Y388 PolarHBondContact O-N 3.32Å; K385-Y388 PolarHBondContact O-N 3.44Å; Q386-Y388 VanDerWaalsContact C-N 3.33Å; Q386-Y388 PolarHBondContact O-N 3.45Å; Y388-D390 VanDerWaalsContact C-N 3.35Å; Y388-E391 PolarHBondContact O-N 3.02Å; Y388-L392 HydrophobicContact CE1-CD2 4.43Å; Y388-L392 VanDerWaalsContact O-CB 3.27Å; Y388-L392 WeakPolarHBondContact O-CB 3.4Å; Y388-L392 PolarHBondContact O-N 2.96Å |
| 389 | D | 93 | Very high | 91.8 | Very high | 68 Ų | 68 | 109.7 Ų | 109.7 | 36% | 0.364 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65 | -40 | 177.5 | -68.1 | -20.1 | 0 | 0 | 0 | 110.6 | K385 Q386 L392 M393 | K385-D389 WeakPolarHBondContact O-CB 3.27Å; K385-D389 VanDerWaalsContact O-CG 3.26Å; K385-D389 PolarHBondContact O-N 2.94Å; Q386-D389 PolarHBondContact O-N 3.27Å; D389-L392 PolarHBondContact O-N 3.2Å; D389-M393 WeakPolarHBondContact O-CB 3.31Å; D389-M393 VanDerWaalsContact O-CG 3.28Å; D389-M393 WeakPolarHBondContact O-CG 3.42Å; D389-M393 PolarHBondContact O-N 2.89Å |
| 390 | D | 94.4 | Very high | 92.2 | Very high | 93 Ų | 93 | 111.3 Ų | 111.3 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.8 | -44.1 | 175.8 | -68.5 | -21.2 | 0 | 0 | 0 | 111.6 | Q386 Q387 Y388 M393 Q394 | Q386-D390 WeakPolarHBondContact O-CB 3.42Å; Q386-D390 PolarHBondContact O-N 3.04Å; Q387-D390 PolarHBondContact O-N 3.39Å; Y388-D390 VanDerWaalsContact C-N 3.35Å; D390-M393 PolarHBondContact O-N 2.98Å; D390-Q394 PolarHBondContact O-N 3.34Å |
| 391 | E | 94.6 | Very high | 92.6 | Very high | 103 Ų | 103 | 110.9 Ų | 110.9 | 48% | 0.481 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 175.9 | -172.9 | -179.5 | 174 | 0 | 0 | 111.6 | Q387 Y388 Q394 Q395 | Q387-E391 WeakPolarHBondContact O-CB 3.48Å; Q387-E391 PolarHBondContact O-N 3.29Å; Y388-E391 PolarHBondContact O-N 3.02Å; E391-Q394 PolarHBondContact O-N 3.22Å; E391-Q395 WeakPolarHBondContact O-CG 3.32Å; E391-Q395 PolarHBondContact O-N 3.48Å |
| 392 | L | 95.2 | Very high | 92.9 | Very high | 68 Ų | 68 | 105.9 Ų | 105.9 | 36% | 0.356 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 176 | -178 | 64.2 | 0 | 0 | 0 | 111.4 | Y388 D389 Q395 I396 | Y388-L392 HydrophobicContact CE1-CD2 4.43Å; Y388-L392 VanDerWaalsContact O-CB 3.27Å; Y388-L392 WeakPolarHBondContact O-CB 3.4Å; Y388-L392 PolarHBondContact O-N 2.96Å; D389-L392 PolarHBondContact O-N 3.2Å; L392-Q395 PolarHBondContact O-N 3.35Å; L392-I396 HydrophobicContact CG-CD1 4.16Å; L392-I396 VanDerWaalsContact O-CG1 3.28Å; L392-I396 WeakPolarHBondContact O-CG1 3.42Å; L392-I396 PolarHBondContact O-N 2.95Å |
| 393 | M | 93.2 | Very high | 93.3 | Very high | 99 Ų | 99 | 105.8 Ų | 105.8 | 49% | 0.488 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 175.7 | -75.1 | -57.5 | -56 | 0 | 0 | 111.8 | D389 D390 Q395 I396 E397 | D389-M393 WeakPolarHBondContact O-CB 3.31Å; D389-M393 VanDerWaalsContact O-CG 3.28Å; D389-M393 WeakPolarHBondContact O-CG 3.42Å; D389-M393 PolarHBondContact O-N 2.89Å; D390-M393 PolarHBondContact O-N 2.98Å; M393-Q395 PolarHBondContact O-N 3.24Å; M393-I396 PolarHBondContact O-N 2.96Å; M393-I396 HydrophobicContact SD-CD1 4.33Å; M393-E397 PolarHBondContact O-N 3.03Å |
| 394 | Q | 95.3 | Very high | 93.4 | Very high | 111 Ų | 111 | 107.3 Ų | 107.3 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 174.7 | -172.3 | -179.4 | -16.2 | 0 | 0 | 111.7 | D390 E391 I396 E397 E398 | D390-Q394 PolarHBondContact O-N 3.34Å; E391-Q394 PolarHBondContact O-N 3.22Å; Q394-I396 VanDerWaalsContact C-N 3.32Å; Q394-I396 PolarHBondContact O-N 3.48Å; Q394-E397 PolarHBondContact O-N 3.36Å; Q394-E398 PolarHBondContact NE2-OE1 3.4Å; Q394-E398 WeakPolarHBondContact O-CG 3.28Å; Q394-E398 PolarHBondContact O-N 2.99Å |
| 395 | Q | 93.4 | Very high | 93.7 | Very high | 85 Ų | 85 | 110.2 Ų | 110.2 | 40% | 0.397 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64 | -35 | 176.5 | -71.5 | -178.9 | 18.2 | 0 | 0 | 113 | E391 L392 M393 K399 | E391-Q395 WeakPolarHBondContact O-CG 3.32Å; E391-Q395 PolarHBondContact O-N 3.48Å; L392-Q395 PolarHBondContact O-N 3.35Å; M393-Q395 PolarHBondContact O-N 3.24Å; Q395-K399 WeakPolarHBondContact O-CB 3.44Å; Q395-K399 WeakPolarHBondContact O-CG 3.41Å; Q395-K399 PolarHBondContact O-N 3.01Å |
| 396 | I | 93.2 | Very high | 93.8 | Very high | 77 Ų | 77 | 109.2 Ų | 109.2 | 40% | 0.395 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.4 | -41.3 | 175.8 | -69.7 | 165.6 | 0 | 0 | 0 | 110.5 | L392 M393 Q394 R400 | L392-I396 HydrophobicContact CG-CD1 4.16Å; L392-I396 VanDerWaalsContact O-CG1 3.28Å; L392-I396 WeakPolarHBondContact O-CG1 3.42Å; L392-I396 PolarHBondContact O-N 2.95Å; M393-I396 PolarHBondContact O-N 2.96Å; M393-I396 HydrophobicContact SD-CD1 4.33Å; Q394-I396 VanDerWaalsContact C-N 3.32Å; Q394-I396 PolarHBondContact O-N 3.48Å; I396-R400 WeakPolarHBondContact O-CB 3.34Å; I396-R400 PolarHBondContact O-N 2.99Å |
| 397 | E | 94.2 | Very high | 93.9 | Very high | 119 Ų | 119 | 107.3 Ų | 107.3 | 56% | 0.556 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.8 | -43.8 | 176.5 | -75.5 | 176.3 | -175.2 | 0 | 0 | 112 | M393 Q394 K399 R400 H401 | M393-E397 PolarHBondContact O-N 3.03Å; Q394-E397 PolarHBondContact O-N 3.36Å; E397-K399 PolarHBondContact O-N 2.89Å; E397-R400 WeakPolarHBondContact O-CB 3.41Å; E397-R400 PolarHBondContact O-N 3.18Å; E397-R400 VanDerWaalsContact O-N 3.16Å; E397-H401 PolarHBondContact O-N 3.36Å |
| 398 | E | 93.9 | Very high | 94 | Very high | 108 Ų | 108 | 104.5 Ų | 104.5 | 51% | 0.505 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.8 | -44.6 | 174.7 | -74.3 | 174 | -171.2 | 0 | 0 | 111.7 | Q394 R400 H401 A402 | Q394-E398 PolarHBondContact NE2-OE1 3.4Å; Q394-E398 WeakPolarHBondContact O-CG 3.28Å; Q394-E398 PolarHBondContact O-N 2.99Å; E398-R400 VanDerWaalsContact C-N 3.33Å; E398-R400 PolarHBondContact O-N 2.89Å; E398-H401 PolarHBondContact O-N 3.09Å; E398-A402 WeakPolarHBondContact O-CB 3.41Å; E398-A402 PolarHBondContact O-N 2.78Å |
| 399 | K | 93.2 | Very high | 94.2 | Very high | 153 Ų | 153 | 103.5 Ų | 103.5 | 67% | 0.665 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.7 | -36 | 175 | -76.9 | 179.3 | 179.1 | 177.4 | 0 | 112.7 | Q395 E397 K403 | Q395-K399 WeakPolarHBondContact O-CB 3.44Å; Q395-K399 WeakPolarHBondContact O-CG 3.41Å; Q395-K399 PolarHBondContact O-N 3.01Å; E397-K399 PolarHBondContact O-N 2.89Å; K399-K403 WeakPolarHBondContact O-CB 3.47Å; K399-K403 PolarHBondContact O-N 3.44Å |
| 400 | R | 93.8 | Very high | 94.3 | Very high | 175 Ų | 175 | 104 Ų | 104 | 66% | 0.66 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.6 | -46.8 | 175.4 | -174.5 | -172.9 | -66.1 | -169.6 | 1 | 110.6 | I396 E397 E398 K403 E404 | I396-R400 WeakPolarHBondContact O-CB 3.34Å; I396-R400 PolarHBondContact O-N 2.99Å; E397-R400 WeakPolarHBondContact O-CB 3.41Å; E397-R400 PolarHBondContact O-N 3.18Å; E397-R400 VanDerWaalsContact O-N 3.16Å; E398-R400 VanDerWaalsContact C-N 3.33Å; E398-R400 PolarHBondContact O-N 2.89Å; R400-K403 PolarHBondContact O-N 3.13Å; R400-E404 WeakPolarHBondContact O-CB 3.42Å; R400-E404 PolarHBondContact O-N 3.34Å |
| 401 | H | 93.7 | Very high | 94.3 | Very high | 105 Ų | 105 | 107.3 Ų | 107.3 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 179.3 | -169.9 | -94.7 | 0 | 0 | 0 | 112 | E397 E398 K403 E404 Q405 | E397-H401 PolarHBondContact O-N 3.36Å; E398-H401 PolarHBondContact O-N 3.09Å; H401-K403 VanDerWaalsContact C-N 3.34Å; H401-K403 PolarHBondContact O-N 3.39Å; H401-E404 PolarHBondContact O-N 3.16Å; H401-Q405 PolarHBondContact CE1-NE2 3.42Å; H401-Q405 WeakPolarHBondContact O-CG 3.28Å; H401-Q405 PolarHBondContact O-N 3.43Å |
| 402 | A | 94.3 | Very high | 94.3 | Very high | 55 Ų | 55 | 106.4 Ų | 106.4 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61 | -41.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E398 Q405 Q406 | E398-A402 WeakPolarHBondContact O-CB 3.41Å; E398-A402 PolarHBondContact O-N 2.78Å; A402-Q405 PolarHBondContact O-N 2.75Å; A402-Q406 PolarHBondContact O-N 3.45Å |
| 403 | K | 95 | Very high | 94.3 | Very high | 137 Ų | 137 | 107.9 Ų | 107.9 | 60% | 0.596 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.4 | -37.7 | 176.1 | -171.6 | 176.3 | -178.8 | 177.9 | 0 | 112.3 | K399 R400 H401 Q406 L407 | K399-K403 WeakPolarHBondContact O-CB 3.47Å; K399-K403 PolarHBondContact O-N 3.44Å; R400-K403 PolarHBondContact O-N 3.13Å; H401-K403 VanDerWaalsContact C-N 3.34Å; H401-K403 PolarHBondContact O-N 3.39Å; K403-Q406 PolarHBondContact O-N 3.47Å; K403-L407 HydrophobicContact CG-CD1 4.49Å; K403-L407 WeakPolarHBondContact O-CG 3.42Å; K403-L407 PolarHBondContact O-N 3.38Å |
| 404 | E | 94.8 | Very high | 94.4 | Very high | 111 Ų | 111 | 107.5 Ų | 107.5 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 175.6 | -175.3 | 167.3 | -163.1 | 0 | 0 | 111.6 | R400 H401 Q406 L407 I408 | R400-E404 WeakPolarHBondContact O-CB 3.42Å; R400-E404 PolarHBondContact O-N 3.34Å; H401-E404 PolarHBondContact O-N 3.16Å; E404-Q406 VanDerWaalsContact C-N 3.33Å; E404-Q406 PolarHBondContact O-N 3.33Å; E404-L407 PolarHBondContact O-N 2.95Å; E404-I408 HydrophobicContact CG-CD1 4.34Å; E404-I408 WeakPolarHBondContact O-CG1 3.38Å; E404-I408 PolarHBondContact O-N 3.19Å |
| 405 | Q | 93.9 | Very high | 94.4 | Very high | 113 Ų | 113 | 108.5 Ų | 108.5 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61 | -40.8 | 173.3 | -73.1 | -176.4 | -21.1 | 0 | 0 | 112.4 | H401 A402 I408 K409 | H401-Q405 PolarHBondContact CE1-NE2 3.42Å; H401-Q405 WeakPolarHBondContact O-CG 3.28Å; H401-Q405 PolarHBondContact O-N 3.43Å; A402-Q405 PolarHBondContact O-N 2.75Å; Q405-I408 PolarHBondContact O-N 3.34Å; Q405-K409 PolarHBondContact O-N 3Å |
| 406 | Q | 94.4 | Very high | 94.5 | Very high | 114 Ų | 114 | 111 Ų | 111 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 175 | -173.5 | -179.2 | -15.2 | 0 | 0 | 111.5 | A402 K403 E404 I408 K409 E410 | A402-Q406 PolarHBondContact O-N 3.45Å; K403-Q406 PolarHBondContact O-N 3.47Å; E404-Q406 VanDerWaalsContact C-N 3.33Å; E404-Q406 PolarHBondContact O-N 3.33Å; Q406-I408 VanDerWaalsContact C-N 3.31Å; Q406-I408 PolarHBondContact O-N 3.03Å; Q406-K409 WeakPolarHBondContact O-CB 3.47Å; Q406-K409 PolarHBondContact O-N 2.96Å; Q406-E410 WeakPolarHBondContact CG-OE1 3.42Å; Q406-E410 PolarHBondContact NE2-OE1 3.41Å; Q406-E410 WeakPolarHBondContact O-CG 3.27Å; Q406-E410 PolarHBondContact O-N 3.11Å |
| 407 | L | 94.6 | Very high | 94.6 | Very high | 75 Ų | 75 | 112.2 Ų | 112.2 | 39% | 0.393 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -33.9 | 176.9 | -74 | 168.6 | 0 | 0 | 0 | 112.8 | K403 E404 R411 | K403-L407 HydrophobicContact CG-CD1 4.49Å; K403-L407 WeakPolarHBondContact O-CG 3.42Å; K403-L407 PolarHBondContact O-N 3.38Å; E404-L407 PolarHBondContact O-N 2.95Å; L407-R411 WeakPolarHBondContact O-CB 3.43Å; L407-R411 VanDerWaalsContact O-CG 3.26Å; L407-R411 WeakPolarHBondContact O-CG 3.48Å; L407-R411 PolarHBondContact O-N 2.98Å |
| 408 | I | 94.5 | Very high | 94.6 | Very high | 80 Ų | 80 | 110.9 Ų | 110.9 | 41% | 0.41 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 174 | -68.5 | 165.6 | 0 | 0 | 0 | 110.2 | E404 Q405 Q406 R411 E412 | E404-I408 HydrophobicContact CG-CD1 4.34Å; E404-I408 WeakPolarHBondContact O-CG1 3.38Å; E404-I408 PolarHBondContact O-N 3.19Å; Q405-I408 PolarHBondContact O-N 3.34Å; Q406-I408 VanDerWaalsContact C-N 3.31Å; Q406-I408 PolarHBondContact O-N 3.03Å; I408-R411 PolarHBondContact O-N 2.94Å; I408-E412 PolarHBondContact O-N 2.83Å |
| 409 | K | 95.8 | Very high | 94.6 | Very high | 125 Ų | 125 | 111.8 Ų | 111.8 | 54% | 0.543 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 177.5 | -170.3 | -176.2 | 177.7 | -162.3 | 0 | 112.1 | Q405 Q406 R411 E412 E413 | Q405-K409 PolarHBondContact O-N 3Å; Q406-K409 WeakPolarHBondContact O-CB 3.47Å; Q406-K409 PolarHBondContact O-N 2.96Å; K409-R411 VanDerWaalsContact C-N 3.34Å; K409-R411 PolarHBondContact O-N 3.3Å; K409-E412 WeakPolarHBondContact O-CB 3.4Å; K409-E412 PolarHBondContact O-N 3.46Å; K409-E412 VanDerWaalsContact O-N 3.1Å; K409-E413 WeakPolarHBondContact CE-OE1 3.32Å; K409-E413 IonicContact NZ-OE1 3.45Å; K409-E413 WeakPolarHBondContact O-CG 3.32Å; K409-E413 PolarHBondContact O-N 3.29Å |
| 410 | E | 94.3 | Very high | 94.7 | Very high | 79 Ų | 79 | 107 Ų | 107 | 37% | 0.369 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 175.2 | -73.6 | 170.6 | -172.3 | 0 | 0 | 110.8 | Q406 E412 E413 D414 | Q406-E410 WeakPolarHBondContact CG-OE1 3.42Å; Q406-E410 PolarHBondContact NE2-OE1 3.41Å; Q406-E410 WeakPolarHBondContact O-CG 3.27Å; Q406-E410 PolarHBondContact O-N 3.11Å; E410-E412 VanDerWaalsContact C-N 3.29Å; E410-E412 PolarHBondContact O-N 3.49Å; E410-E413 PolarHBondContact O-N 3.11Å; E410-D414 WeakPolarHBondContact O-CB 3.47Å; E410-D414 PolarHBondContact O-N 2.87Å |
| 411 | R | 94.6 | Very high | 94.7 | Very high | 162 Ų | 162 | 102.8 Ų | 102.8 | 61% | 0.611 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.9 | -30.8 | 174.5 | -73.4 | 175.7 | -177.8 | -179.1 | 3 | 113.5 | L407 I408 K409 R415 | L407-R411 WeakPolarHBondContact O-CB 3.43Å; L407-R411 VanDerWaalsContact O-CG 3.26Å; L407-R411 WeakPolarHBondContact O-CG 3.48Å; L407-R411 PolarHBondContact O-N 2.98Å; I408-R411 PolarHBondContact O-N 2.94Å; K409-R411 VanDerWaalsContact C-N 3.34Å; K409-R411 PolarHBondContact O-N 3.3Å; R411-R415 WeakPolarHBondContact O-CB 3.37Å; R411-R415 VanDerWaalsContact O-CG 3.29Å; R411-R415 WeakPolarHBondContact O-CG 3.46Å; R411-R415 PolarHBondContact O-N 3.48Å; R411-R415 PolarHBondContact O-NH1 3.49Å |
| 412 | E | 95.5 | Very high | 94.7 | Very high | 84 Ų | 84 | 103.5 Ų | 103.5 | 39% | 0.393 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.5 | -40.7 | 173.9 | -79.9 | 175.3 | -170.1 | 0 | 0 | 112.1 | I408 K409 E410 R415 K416 | I408-E412 PolarHBondContact O-N 2.83Å; K409-E412 WeakPolarHBondContact O-CB 3.4Å; K409-E412 PolarHBondContact O-N 3.46Å; K409-E412 VanDerWaalsContact O-N 3.1Å; E410-E412 VanDerWaalsContact C-N 3.29Å; E410-E412 PolarHBondContact O-N 3.49Å; E412-R415 PolarHBondContact O-N 3.25Å; E412-K416 WeakPolarHBondContact O-CG 3.37Å; E412-K416 PolarHBondContact O-N 2.92Å |
| 413 | E | 95.1 | Very high | 94.7 | Very high | 98 Ų | 98 | 103.3 Ų | 103.3 | 46% | 0.458 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 174.4 | -70.6 | 174.2 | -176 | 0 | 0 | 110.8 | K409 E410 R415 K416 L417 | K409-E413 WeakPolarHBondContact CE-OE1 3.32Å; K409-E413 IonicContact NZ-OE1 3.45Å; K409-E413 WeakPolarHBondContact O-CG 3.32Å; K409-E413 PolarHBondContact O-N 3.29Å; E410-E413 PolarHBondContact O-N 3.11Å; E413-R415 PolarHBondContact O-N 3Å; E413-K416 WeakPolarHBondContact O-CB 3.15Å; E413-K416 PolarHBondContact O-N 2.84Å; E413-L417 WeakPolarHBondContact O-CB 3.27Å; E413-L417 PolarHBondContact O-N 3.49Å |
| 414 | D | 94.2 | Very high | 94.6 | Very high | 92 Ų | 92 | 101.2 Ų | 101.2 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 173.8 | -74.4 | -14.4 | 0 | 0 | 0 | 111.8 | E410 K416 L417 I418 | E410-D414 WeakPolarHBondContact O-CB 3.47Å; E410-D414 PolarHBondContact O-N 2.87Å; D414-K416 VanDerWaalsContact C-N 3.34Å; D414-K416 PolarHBondContact O-N 3.44Å; D414-L417 PolarHBondContact O-N 3.35Å; D414-I418 VanDerWaalsContact O-CG1 3.26Å; D414-I418 WeakPolarHBondContact O-CG1 3.41Å; D414-I418 PolarHBondContact O-N 3.2Å |
| 415 | R | 95.1 | Very high | 94.5 | Very high | 132 Ų | 132 | 99.9 Ų | 99.9 | 50% | 0.498 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 174.9 | -79.5 | -169 | -59.6 | -93.6 | 11.7 | 111.8 | R411 E412 E413 I418 Q419 | R411-R415 WeakPolarHBondContact O-CB 3.37Å; R411-R415 VanDerWaalsContact O-CG 3.29Å; R411-R415 WeakPolarHBondContact O-CG 3.46Å; R411-R415 PolarHBondContact O-N 3.48Å; R411-R415 PolarHBondContact O-NH1 3.49Å; E412-R415 PolarHBondContact O-N 3.25Å; E413-R415 PolarHBondContact O-N 3Å; R415-I418 PolarHBondContact O-N 3.23Å; R415-Q419 WeakPolarHBondContact O-CG 3.49Å; R415-Q419 PolarHBondContact O-N 3.46Å |
| 416 | K | 95.9 | Very high | 94.5 | Very high | 138 Ų | 138 | 97.2 Ų | 97.2 | 60% | 0.6 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.9 | -40.1 | 176 | -73.1 | 172.7 | -177.7 | 175 | 0 | 111.6 | E412 E413 D414 Q419 A420 | E412-K416 WeakPolarHBondContact O-CG 3.37Å; E412-K416 PolarHBondContact O-N 2.92Å; E413-K416 WeakPolarHBondContact O-CB 3.15Å; E413-K416 PolarHBondContact O-N 2.84Å; D414-K416 VanDerWaalsContact C-N 3.34Å; D414-K416 PolarHBondContact O-N 3.44Å; K416-Q419 PolarHBondContact O-N 3.34Å; K416-A420 WeakPolarHBondContact O-CB 3.36Å; K416-A420 PolarHBondContact O-N 3.38Å |
| 417 | L | 94.9 | Very high | 94.5 | Very high | 102 Ų | 102 | 98.5 Ų | 98.5 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 176.7 | -178.5 | 62.3 | 0 | 0 | 0 | 111.3 | E413 D414 Q419 A420 I421 | E413-L417 WeakPolarHBondContact O-CB 3.27Å; E413-L417 PolarHBondContact O-N 3.49Å; D414-L417 PolarHBondContact O-N 3.35Å; L417-Q419 PolarHBondContact O-N 3.37Å; L417-A420 PolarHBondContact O-N 3.17Å; L417-I421 HydrophobicContact CD1-CD1 4.31Å; L417-I421 HydrophobicContact CG-CD1 4.03Å; L417-I421 VanDerWaalsContact O-CG1 3.32Å; L417-I421 WeakPolarHBondContact O-CG1 3.48Å; L417-I421 PolarHBondContact O-N 3.35Å |
| 418 | I | 94.5 | Very high | 94.3 | Very high | 90 Ų | 90 | 99.9 Ų | 99.9 | 46% | 0.462 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 176.3 | -68.5 | 165.1 | 0 | 0 | 0 | 110.5 | D414 R415 A420 I421 E422 | D414-I418 VanDerWaalsContact O-CG1 3.26Å; D414-I418 WeakPolarHBondContact O-CG1 3.41Å; D414-I418 PolarHBondContact O-N 3.2Å; R415-I418 PolarHBondContact O-N 3.23Å; I418-A420 VanDerWaalsContact C-N 3.31Å; I418-A420 PolarHBondContact O-N 3.39Å; I418-I421 PolarHBondContact O-N 2.96Å; I418-E422 HydrophobicContact CG2-CG 4.39Å; I418-E422 WeakPolarHBondContact O-CG 3.29Å; I418-E422 PolarHBondContact O-N 3.31Å |
| 419 | Q | 95.3 | Very high | 94.2 | Very high | 127 Ų | 127 | 103.6 Ų | 103.6 | 59% | 0.593 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.7 | -38.8 | 176.2 | -75.2 | 177.3 | -5.1 | 0 | 0 | 112.6 | R415 K416 L417 E422 A423 | R415-Q419 WeakPolarHBondContact O-CG 3.49Å; R415-Q419 PolarHBondContact O-N 3.46Å; K416-Q419 PolarHBondContact O-N 3.34Å; L417-Q419 PolarHBondContact O-N 3.37Å; Q419-E422 PolarHBondContact O-N 3.44Å; Q419-A423 WeakPolarHBondContact O-CB 3.33Å; Q419-A423 PolarHBondContact O-N 3.27Å |
| 420 | A | 94.8 | Very high | 94 | Very high | 53 Ų | 53 | 103.2 Ų | 103.2 | 44% | 0.438 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66 | -41.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K416 L417 I418 A423 V424 | K416-A420 WeakPolarHBondContact O-CB 3.36Å; K416-A420 PolarHBondContact O-N 3.38Å; L417-A420 PolarHBondContact O-N 3.17Å; I418-A420 VanDerWaalsContact C-N 3.31Å; I418-A420 PolarHBondContact O-N 3.39Å; A420-A423 PolarHBondContact O-N 3.45Å; A420-V424 WeakPolarHBondContact O-CG2 3.4Å; A420-V424 PolarHBondContact O-N 3.48Å |
| 421 | I | 93.4 | Very high | 93.8 | Very high | 86 Ų | 86 | 104.9 Ų | 104.9 | 44% | 0.441 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 175.5 | -67.3 | 165.9 | 0 | 0 | 0 | 110.4 | L417 I418 A423 V424 L425 | L417-I421 HydrophobicContact CD1-CD1 4.31Å; L417-I421 HydrophobicContact CG-CD1 4.03Å; L417-I421 VanDerWaalsContact O-CG1 3.32Å; L417-I421 WeakPolarHBondContact O-CG1 3.48Å; L417-I421 PolarHBondContact O-N 3.35Å; I418-I421 PolarHBondContact O-N 2.96Å; I421-A423 VanDerWaalsContact C-N 3.31Å; I421-A423 PolarHBondContact O-N 2.83Å; I421-V424 PolarHBondContact O-N 2.86Å; I421-L425 HydrophobicContact CG2-CD1 3.98Å; I421-L425 HydrophobicContact CG2-CG 4.36Å; I421-L425 WeakPolarHBondContact O-CG 3.46Å; I421-L425 PolarHBondContact O-N 3.44Å |
| 422 | E | 94.1 | Very high | 93.6 | Very high | 120 Ų | 120 | 100.1 Ų | 100.1 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.8 | -39.2 | 176.4 | -73.5 | 178.2 | 167.9 | 0 | 0 | 112 | I418 Q419 L425 A426 | I418-E422 HydrophobicContact CG2-CG 4.39Å; I418-E422 WeakPolarHBondContact O-CG 3.29Å; I418-E422 PolarHBondContact O-N 3.31Å; Q419-E422 PolarHBondContact O-N 3.44Å; E422-L425 PolarHBondContact O-N 2.92Å; E422-A426 WeakPolarHBondContact O-CB 3.47Å; E422-A426 PolarHBondContact O-N 3.29Å |
| 423 | A | 93.7 | Very high | 93.1 | Very high | 52 Ų | 52 | 102.1 Ų | 102.1 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q419 A420 I421 A426 K427 | Q419-A423 WeakPolarHBondContact O-CB 3.33Å; Q419-A423 PolarHBondContact O-N 3.27Å; A420-A423 PolarHBondContact O-N 3.45Å; I421-A423 VanDerWaalsContact C-N 3.31Å; I421-A423 PolarHBondContact O-N 2.83Å; A423-A426 PolarHBondContact O-N 2.91Å; A423-K427 WeakPolarHBondContact O-CG 3.35Å; A423-K427 PolarHBondContact O-N 3.31Å |
| 424 | V | 94.1 | Very high | 92.8 | Very high | 93 Ų | 93 | 102.2 Ų | 102.2 | 56% | 0.564 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66 | -46.7 | 174.3 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | A420 I421 A426 K427 E428 | A420-V424 WeakPolarHBondContact O-CG2 3.4Å; A420-V424 PolarHBondContact O-N 3.48Å; I421-V424 PolarHBondContact O-N 2.86Å; V424-A426 VanDerWaalsContact C-N 3.27Å; V424-A426 PolarHBondContact O-N 2.81Å; V424-K427 PolarHBondContact O-N 2.94Å; V424-K427 VanDerWaalsContact O-N 3.16Å; V424-E428 PolarHBondContact O-N 3.48Å |
| 425 | L | 92.7 | Very high | 92.2 | Very high | 82 Ų | 82 | 103.4 Ų | 103.4 | 43% | 0.429 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.4 | -33.9 | 176.5 | -70.6 | 173.7 | 0 | 0 | 0 | 112.3 | I421 E422 K429 | I421-L425 HydrophobicContact CG2-CD1 3.98Å; I421-L425 HydrophobicContact CG2-CG 4.36Å; I421-L425 WeakPolarHBondContact O-CG 3.46Å; I421-L425 PolarHBondContact O-N 3.44Å; E422-L425 PolarHBondContact O-N 2.92Å; L425-K429 WeakPolarHBondContact O-CB 3.46Å; L425-K429 VanDerWaalsContact O-CG 3.25Å; L425-K429 WeakPolarHBondContact O-CG 3.37Å; L425-K429 PolarHBondContact O-N 3.18Å |
| 426 | A | 92.7 | Very high | 91.4 | Very high | 58 Ų | 58 | 103.5 Ų | 103.5 | 48% | 0.479 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.9 | -41.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E422 A423 V424 K429 Q430 | E422-A426 WeakPolarHBondContact O-CB 3.47Å; E422-A426 PolarHBondContact O-N 3.29Å; A423-A426 PolarHBondContact O-N 2.91Å; V424-A426 VanDerWaalsContact C-N 3.27Å; V424-A426 PolarHBondContact O-N 2.81Å; A426-K429 PolarHBondContact O-N 3.46Å; A426-Q430 PolarHBondContact O-N 3.5Å; A426-Q430 VanDerWaalsContact O-N 3.07Å |
| 427 | K | 93.7 | Very high | 90.6 | Very high | 140 Ų | 140 | 105.1 Ų | 105.1 | 61% | 0.609 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.3 | -46.8 | 173.6 | -75.1 | -177 | 178 | -174.3 | 0 | 111.7 | A423 V424 K429 Q430 E431 | A423-K427 WeakPolarHBondContact O-CG 3.35Å; A423-K427 PolarHBondContact O-N 3.31Å; V424-K427 PolarHBondContact O-N 2.94Å; V424-K427 VanDerWaalsContact O-N 3.16Å; K427-K429 VanDerWaalsContact C-N 3.34Å; K427-K429 PolarHBondContact O-N 3.16Å; K427-Q430 WeakPolarHBondContact O-CB 3.31Å; K427-Q430 PolarHBondContact O-N 2.87Å; K427-Q430 VanDerWaalsContact O-N 3.08Å; K427-E431 WeakPolarHBondContact O-CG 3.46Å; K427-E431 PolarHBondContact O-N 2.91Å |
| 428 | E | 92.3 | Very high | 89.6 | Confident | 104 Ų | 104 | 105.8 Ų | 105.8 | 49% | 0.486 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 177.9 | -172.5 | -179.8 | -174.8 | 0 | 0 | 111.4 | V424 Q430 E431 V432 | V424-E428 PolarHBondContact O-N 3.48Å; E428-Q430 VanDerWaalsContact C-N 3.29Å; E428-Q430 PolarHBondContact O-N 2.88Å; E428-E431 PolarHBondContact O-N 3.14Å; E428-V432 WeakPolarHBondContact O-CB 3.39Å; E428-V432 VanDerWaalsContact O-CG2 3.27Å; E428-V432 WeakPolarHBondContact O-CG2 3.45Å; E428-V432 PolarHBondContact O-N 3.41Å |
| 429 | K | 92 | Very high | 88.1 | Confident | 159 Ų | 159 | 108 Ų | 108 | 69% | 0.691 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.9 | -37.2 | 174.1 | -77.8 | 175.6 | -178.3 | 179.5 | 0 | 112.9 | L425 A426 K427 Y433 | L425-K429 WeakPolarHBondContact O-CB 3.46Å; L425-K429 VanDerWaalsContact O-CG 3.25Å; L425-K429 WeakPolarHBondContact O-CG 3.37Å; L425-K429 PolarHBondContact O-N 3.18Å; A426-K429 PolarHBondContact O-N 3.46Å; K427-K429 VanDerWaalsContact C-N 3.34Å; K427-K429 PolarHBondContact O-N 3.16Å; K429-Y433 WeakPolarHBondContact O-CB 3.48Å; K429-Y433 PolarHBondContact O-N 3.45Å; K429-Y433 VanDerWaalsContact O-N 3.13Å |
| 430 | Q | 91.2 | Very high | 86.1 | Confident | 116 Ų | 116 | 103.4 Ų | 103.4 | 54% | 0.542 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.2 | -45.2 | 176.8 | -176.5 | 177 | -16.7 | 0 | 0 | 111.2 | A426 K427 E428 V432 Y433 E434 | A426-Q430 PolarHBondContact O-N 3.5Å; A426-Q430 VanDerWaalsContact O-N 3.07Å; K427-Q430 WeakPolarHBondContact O-CB 3.31Å; K427-Q430 PolarHBondContact O-N 2.87Å; K427-Q430 VanDerWaalsContact O-N 3.08Å; E428-Q430 VanDerWaalsContact C-N 3.29Å; E428-Q430 PolarHBondContact O-N 2.88Å; Q430-V432 PolarHBondContact O-N 3.4Å; Q430-Y433 PolarHBondContact O-N 2.83Å; Q430-Y433 VanDerWaalsContact O-N 3.15Å; Q430-E434 WeakPolarHBondContact CG-OE1 3.47Å; Q430-E434 PolarHBondContact NE2-OE1 3.37Å; Q430-E434 WeakPolarHBondContact O-CG 3.4Å; Q430-E434 PolarHBondContact O-N 3.4Å |
| 431 | E | 90.1 | Very high | 84.1 | Confident | 115 Ų | 115 | 106.1 Ų | 106.1 | 54% | 0.537 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 176.3 | -72.1 | 172.6 | -172.3 | 0 | 0 | 111.1 | K427 E428 Y433 E434 E435 | K427-E431 WeakPolarHBondContact O-CG 3.46Å; K427-E431 PolarHBondContact O-N 2.91Å; E428-E431 PolarHBondContact O-N 3.14Å; E431-Y433 VanDerWaalsContact C-N 3.3Å; E431-Y433 PolarHBondContact O-N 3.41Å; E431-E434 PolarHBondContact O-N 2.75Å; E431-E435 WeakPolarHBondContact O-CG 3.36Å; E431-E435 PolarHBondContact O-N 3.41Å |
| 432 | V | 89.3 | Confident | 81.9 | Confident | 62 Ų | 62 | 111.3 Ų | 111.3 | 38% | 0.376 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.9 | -37.3 | 175.4 | 171.9 | 0 | 0 | 0 | 0 | 112 | E428 Q430 Q436 | E428-V432 WeakPolarHBondContact O-CB 3.39Å; E428-V432 VanDerWaalsContact O-CG2 3.27Å; E428-V432 WeakPolarHBondContact O-CG2 3.45Å; E428-V432 PolarHBondContact O-N 3.41Å; Q430-V432 PolarHBondContact O-N 3.4Å; V432-Q436 WeakPolarHBondContact O-CB 3.13Å; V432-Q436 WeakPolarHBondContact O-CG 3.44Å; V432-Q436 PolarHBondContact O-N 2.75Å |
| 433 | Y | 86.9 | Confident | 79.7 | Confident | 126 Ų | 126 | 110.9 Ų | 110.9 | 49% | 0.494 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.4 | -37.1 | 176.8 | -174.5 | -100.3 | 0 | 0 | 0 | 112.4 | K429 Q430 E431 R437 | K429-Y433 WeakPolarHBondContact O-CB 3.48Å; K429-Y433 PolarHBondContact O-N 3.45Å; K429-Y433 VanDerWaalsContact O-N 3.13Å; Q430-Y433 PolarHBondContact O-N 2.83Å; Q430-Y433 VanDerWaalsContact O-N 3.15Å; E431-Y433 VanDerWaalsContact C-N 3.3Å; E431-Y433 PolarHBondContact O-N 3.41Å; Y433-R437 HydrophobicContact CE1-CG 4.31Å; Y433-R437 PolarHBondContact O-N 3.41Å; Y433-R437 PolarHBondContact OH-NE 2.87Å; Y433-R437 PolarHBondContact OH-NH2 3.01Å |
| 434 | E | 87.5 | Confident | 77.7 | Confident | 100 Ų | 100 | 115.6 Ų | 115.6 | 47% | 0.467 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.7 | -40.1 | 174.6 | -71.2 | 175.9 | -167.2 | 0 | 0 | 111.6 | Q430 E431 R437 T438 | Q430-E434 WeakPolarHBondContact CG-OE1 3.47Å; Q430-E434 PolarHBondContact NE2-OE1 3.37Å; Q430-E434 WeakPolarHBondContact O-CG 3.4Å; Q430-E434 PolarHBondContact O-N 3.4Å; E431-E434 PolarHBondContact O-N 2.75Å; E434-R437 PolarHBondContact O-N 3.32Å; E434-T438 WeakPolarHBondContact O-CG2 3.37Å; E434-T438 PolarHBondContact O-N 3.49Å; E434-T438 PolarHBondContact O-OG1 3.24Å; E434-T438 VanDerWaalsContact O-OG1 3.14Å |
| 435 | E | 81.4 | Confident | 75.6 | Confident | 117 Ų | 117 | 121.2 Ų | 121.2 | 55% | 0.547 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -61.9 | -45.7 | 171.3 | -74.4 | -174.1 | 171.5 | 0 | 0 | 111.8 | E431 R437 T438 I439 | E431-E435 WeakPolarHBondContact O-CG 3.36Å; E431-E435 PolarHBondContact O-N 3.41Å; E435-R437 VanDerWaalsContact C-N 3.28Å; E435-R437 PolarHBondContact O-N 3.41Å; E435-T438 WeakPolarHBondContact CA-OG1 3.48Å; E435-T438 PolarHBondContact O-N 2.85Å; E435-T438 PolarHBondContact O-OG1 2.79Å; E435-I439 HydrophobicContact CB-CD1 4.47Å; E435-I439 WeakPolarHBondContact O-CB 3.37Å; E435-I439 WeakPolarHBondContact O-CD1 3.34Å; E435-I439 VanDerWaalsContact O-CG1 3.23Å; E435-I439 WeakPolarHBondContact O-CG1 3.21Å; E435-I439 PolarHBondContact O-N 3.23Å |
| 436 | Q | 78.5 | Confident | 73.4 | Confident | 133 Ų | 133 | 126.4 Ų | 126.4 | 62% | 0.621 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63 | -33.4 | 175.9 | -76.9 | -178.4 | 22.9 | 0 | 0 | 113 | V432 G440 | V432-Q436 WeakPolarHBondContact O-CB 3.13Å; V432-Q436 WeakPolarHBondContact O-CG 3.44Å; V432-Q436 PolarHBondContact O-N 2.75Å; Q436-G440 PolarHBondContact O-N 3Å |
| 437 | R | 78.9 | Confident | 71.1 | Confident | 173 Ų | 173 | 132.7 Ų | 132.7 | 65% | 0.653 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -69.3 | -38.1 | 174.1 | -83.3 | -170.6 | 172.7 | -172.1 | 3.1 | 112.6 | Y433 E434 E435 G440 | Y433-R437 HydrophobicContact CE1-CG 4.31Å; Y433-R437 PolarHBondContact O-N 3.41Å; Y433-R437 PolarHBondContact OH-NE 2.87Å; Y433-R437 PolarHBondContact OH-NH2 3.01Å; E434-R437 PolarHBondContact O-N 3.32Å; E435-R437 VanDerWaalsContact C-N 3.28Å; E435-R437 PolarHBondContact O-N 3.41Å; R437-G440 PolarHBondContact O-N 3.49Å |
| 438 | T | 75.1 | Confident | 68.8 | Low | 116 Ų | 116 | 137.8 Ų | 137.8 | 71% | 0.712 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -76.1 | -27.1 | 178.7 | 53.1 | 0 | 0 | 0 | 0 | 112.6 | E434 E435 G440 | E434-T438 WeakPolarHBondContact O-CG2 3.37Å; E434-T438 PolarHBondContact O-N 3.49Å; E434-T438 PolarHBondContact O-OG1 3.24Å; E434-T438 VanDerWaalsContact O-OG1 3.14Å; E435-T438 WeakPolarHBondContact CA-OG1 3.48Å; E435-T438 PolarHBondContact O-N 2.85Å; E435-T438 PolarHBondContact O-OG1 2.79Å; T438-G440 VanDerWaalsContact C-N 3.3Å |
| 439 | I | 62.2 | Low | 66.4 | Low | 137 Ų | 137 | 143.6 Ų | 143.6 | 70% | 0.703 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -87.4 | 0.7 | 175.1 | -58.9 | 165.2 | 0 | 0 | 0 | 111.9 | E435 | E435-I439 HydrophobicContact CB-CD1 4.47Å; E435-I439 WeakPolarHBondContact O-CB 3.37Å; E435-I439 WeakPolarHBondContact O-CD1 3.34Å; E435-I439 VanDerWaalsContact O-CG1 3.23Å; E435-I439 WeakPolarHBondContact O-CG1 3.21Å; E435-I439 PolarHBondContact O-N 3.23Å |
| 440 | G | 52.7 | Low | 64.1 | Low | 30 Ų | 30 | 143.6 Ų | 143.6 | 31% | 0.309 | 69% | 0.691 | S | S | . | * | S | Bend | trans | -55.2 | 149.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q436 R437 T438 H442 | Q436-G440 PolarHBondContact O-N 3Å; R437-G440 PolarHBondContact O-N 3.49Å; T438-G440 VanDerWaalsContact C-N 3.3Å; G440-H442 PolarHBondContact O-N 3.46Å |
| 441 | P | 52.9 | Low | 61.7 | Low | 109 Ų | 109 | 143.2 Ų | 143.2 | 71% | 0.708 | 70% | 0.699 | S | S | * | * | trans | -79.2 | 81.5 | -144.5 | 33.7 | -37.1 | 0 | 0 | 0 | 112.9 | S443 | P441-S443 PolarHBondContact O-N 3.49Š| ||
| 442 | H | 48.2 | Very low | 59.6 | Low | 195 Ų | 195 | 143.1 Ų | 143.1 | 90% | 0.903 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | 6.7 | 170.7 | -103.1 | -54.2 | 0 | 0 | 0 | 114.6 | G440 | G440-H442 PolarHBondContact O-N 3.46Š|
| 443 | S | 46.9 | Very low | 57.5 | Low | 112 Ų | 112 | 148.2 Ų | 148.2 | 78% | 0.783 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.8 | 8.7 | -174 | 42.4 | 0 | 0 | 0 | 0 | 116.4 | P441 | P441-S443 PolarHBondContact O-N 3.49Š|
| 444 | L | 51.6 | Low | 55.5 | Low | 150 Ų | 150 | 147.1 Ų | 147.1 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -122.9 | 18.6 | -173.7 | -95.3 | 161.5 | 0 | 0 | 0 | 116.9 | ||
| 445 | K | 51.2 | Low | 53.4 | Low | 212 Ų | 212 | 149.4 Ų | 149.4 | 92% | 0.922 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -128.3 | 15.4 | -179.4 | -76.8 | -172.4 | 178.6 | 176.4 | 0 | 117.2 | ||
| 446 | Q | 46.2 | Very low | 51.8 | Low | 190 Ų | 190 | 152.7 Ų | 152.7 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -117.9 | 10.5 | -170.6 | -136 | 170.3 | 6.3 | 0 | 0 | 118.1 | ||
| 447 | E | 43.6 | Very low | 50.2 | Low | 190 Ų | 190 | 155.5 Ų | 155.5 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -134.7 | 57.1 | 176.2 | -78.8 | -167.4 | 146.8 | 0 | 0 | 114 | ||
| 448 | R | 46.6 | Very low | 48.7 | Very low | 247 Ų | 247 | 151.9 Ų | 151.9 | 93% | 0.932 | 78% | 0.781 | S | S | * | * | trans | -149.6 | 66.3 | 156.5 | -74.2 | -160.2 | -174.1 | 177.4 | 3.4 | 111.2 | ||||
| 449 | Y | 41.5 | Very low | 47.1 | Very low | 227 Ų | 227 | 151 Ų | 151 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | trans | -103.7 | 101.7 | 158.3 | -101.1 | -90.5 | 0 | 0 | 0 | 108.3 | ||||
| 450 | N | 43.5 | Very low | 46.4 | Very low | 159 Ų | 159 | 154 Ų | 154 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | trans | -151.9 | 110 | 149 | -104.9 | -27.3 | 0 | 0 | 0 | 108 | ||||
| 451 | P | 41.5 | Very low | 45.9 | Very low | 108 Ų | 108 | 157.5 Ų | 157.5 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | trans | -94.4 | 120 | -175.5 | 33.8 | -27 | 0 | 0 | 0 | 109.8 | ||||
| 452 | T | 45.3 | Very low | 45.4 | Very low | 113 Ų | 113 | 160.3 Ų | 160.3 | 69% | 0.693 | 82% | 0.819 | S | S | * | * | trans | -154.8 | 118.2 | 163.2 | -32.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 453 | Q | 45.9 | Very low | 45.2 | Very low | 169 Ų | 169 | 155.3 Ų | 155.3 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | 68.4 | 96.3 | 148.8 | -70.8 | 171.3 | 19.6 | 0 | 0 | 117.6 | ||||
| 454 | S | 45.3 | Very low | 45.1 | Very low | 102 Ų | 102 | 158.2 Ų | 158.2 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | 71 | 110.5 | 91.5 | 72.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 455 | V | 43.3 | Very low | 45 | Very low | 149 Ų | 149 | 156.2 Ų | 156.2 | 90% | 0.903 | 81% | 0.813 | S | S | * | * | -168.4 | 134.6 | 121.6 | 163.6 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 456 | K | 47.7 | Very low | 44.6 | Very low | 185 Ų | 185 | 154.1 Ų | 154.1 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -77.6 | 165.7 | -175.4 | -72.2 | 168 | 160.8 | 168.5 | 0 | 113.3 | ||||
| 457 | K | 44.4 | Very low | 44.5 | Very low | 192 Ų | 192 | 150.4 Ų | 150.4 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | 93.4 | 138.4 | 150 | -75.8 | 178.9 | 175.4 | 178.9 | 0 | 115.5 | ||||
| 458 | S | 46.4 | Very low | 44.7 | Very low | 97 Ų | 97 | 152.1 Ų | 152.1 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | cis | 167.8 | 136.9 | -20.8 | 42.8 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 459 | A | 41.4 | Very low | 44.9 | Very low | 97 Ų | 97 | 146 Ų | 146 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | 69.2 | 139.3 | 156.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 460 | K | 47.5 | Very low | 45.2 | Very low | 200 Ų | 200 | 141.9 Ų | 141.9 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | cis | -160.1 | 162.1 | 10.3 | -124.1 | 178.4 | 178 | -176.3 | 0 | 107.6 | ||||
| 461 | P | 43.4 | Very low | 45.6 | Very low | 105 Ų | 105 | 141.4 Ų | 141.4 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | trans | -91 | 151.5 | -174.5 | 37.1 | -29.2 | 0 | 0 | 0 | 111.9 | ||||
| 462 | D | 42 | Very low | 46.1 | Very low | 167 Ų | 167 | 142.4 Ų | 142.4 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | trans | 164.5 | 94.3 | 146.2 | -87 | -23.9 | 0 | 0 | 0 | 109 | ||||
| 463 | A | 44.4 | Very low | 46.4 | Very low | 91 Ų | 91 | 141.8 Ų | 141.8 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -160.8 | 115.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | P465 | A463-P465 WeakPolarHBondContact O-CD 3.47Š| ||
| 464 | I | 44.5 | Very low | 46.8 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | trans | -80 | 123.7 | 166.4 | -60.2 | 170.6 | 0 | 0 | 0 | 106.1 | ||||
| 465 | P | 49.9 | Very low | 47.1 | Very low | 108 Ų | 108 | 140 Ų | 140 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | -114.3 | 122.7 | 153 | 10.6 | 11 | 0 | 0 | 0 | 108.9 | A463 S467 | A463-P465 WeakPolarHBondContact O-CD 3.47Å; P465-S467 PolarHBondContact O-N 3.31Å | ||
| 466 | D | 41.8 | Very low | 47.9 | Very low | 169 Ų | 169 | 136.9 Ų | 136.9 | 90% | 0.904 | 75% | 0.748 | S | S | * | * | trans | -37 | 102.4 | 160.2 | -110.9 | -32.8 | 0 | 0 | 0 | 111.1 | R468 | D466-R468 PolarHBondContact O-N 2.91Š| ||
| 467 | S | 45.4 | Very low | 48.6 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | trans | -94.7 | 87.8 | 168.9 | 54.1 | 0 | 0 | 0 | 0 | 108.4 | P465 | P465-S467 PolarHBondContact O-N 3.31Š| ||
| 468 | R | 47.5 | Very low | 49.2 | Very low | 227 Ų | 227 | 133.7 Ų | 133.7 | 86% | 0.857 | 73% | 0.726 | S | S | * | * | trans | -61.9 | 126.8 | 151.5 | -109.4 | 178.3 | 176.1 | 176.3 | -1.7 | 106.9 | D466 D470 | D466-R468 PolarHBondContact O-N 2.91Å; R468-D470 PolarHBondContact O-N 2.99Å | ||
| 469 | P | 51.5 | Low | 50.2 | Low | 118 Ų | 118 | 137.1 Ų | 137.1 | 77% | 0.766 | 73% | 0.731 | S | S | * | * | trans | -69.3 | 118 | 167.7 | 3.2 | 11.3 | 0 | 0 | 0 | 107.1 | D471 | P469-D471 PolarHBondContact O-N 2.86Š| ||
| 470 | D | 47.7 | Very low | 51.6 | Low | 140 Ų | 140 | 139.4 Ų | 139.4 | 75% | 0.749 | 72% | 0.723 | S | S | * | * | trans | -59.3 | 106.2 | 168.2 | -76.5 | -47.9 | 0 | 0 | 0 | 108.8 | R468 I472 | R468-D470 PolarHBondContact O-N 2.99Å; D470-I472 PolarHBondContact O-N 3.28Å | ||
| 471 | D | 51.1 | Low | 51.7 | Low | 150 Ų | 150 | 134.5 Ų | 134.5 | 80% | 0.802 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 35.3 | 179.9 | -133.8 | -5.6 | 0 | 0 | 0 | 111.5 | P469 | P469-D471 PolarHBondContact O-N 2.86Š|
| 472 | I | 52.5 | Low | 52.1 | Low | 128 Ų | 128 | 133.7 Ų | 133.7 | 66% | 0.656 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | -10.6 | -169.2 | -67.2 | 176.5 | 0 | 0 | 0 | 112.9 | D470 | D470-I472 PolarHBondContact O-N 3.28Š|
| 473 | D | 51.8 | Low | 52.8 | Low | 101 Ų | 101 | 132.8 Ų | 132.8 | 54% | 0.54 | 69% | 0.688 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.5 | 2.4 | -172 | -106.6 | -17.2 | 0 | 0 | 0 | 116.2 | L475 | D473-L475 VanDerWaalsContact C-N 3.27Å; D473-L475 PolarHBondContact O-N 3.19Å |
| 474 | S | 53.2 | Low | 53.3 | Low | 84 Ų | 84 | 134.5 Ų | 134.5 | 59% | 0.587 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -8.7 | -179.4 | -54.4 | 0 | 0 | 0 | 0 | 114 | ||
| 475 | L | 52.3 | Low | 53.3 | Low | 150 Ų | 150 | 136.2 Ų | 136.2 | 79% | 0.785 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | -28.8 | 173.1 | -136 | 76.5 | 0 | 0 | 0 | 112.5 | D473 W477 | D473-L475 VanDerWaalsContact C-N 3.27Å; D473-L475 PolarHBondContact O-N 3.19Å; L475-W477 VanDerWaalsContact C-N 3.34Å; L475-W477 PolarHBondContact O-N 3.38Å |
| 476 | E | 60.3 | Low | 53 | Low | 82 Ų | 82 | 137.7 Ų | 137.7 | 38% | 0.383 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -71.7 | -22.9 | 178.8 | -75.9 | -160.3 | 178.7 | 0 | 0 | 113.5 | W478 E479 K480 | E476-W478 VanDerWaalsContact C-N 3.31Å; E476-W478 PolarHBondContact O-N 2.69Å; E476-E479 PolarHBondContact O-N 2.85Å; E476-K480 PolarHBondContact O-N 3.39Å; E476-K480 VanDerWaalsContact O-N 3.15Å; E476-K480 WeakPolarHBondContact OE2-CE 3.35Å; E476-K480 IonicContact OE2-NZ 2.86Å; E476-K480 PolarHBondContact OE2-NZ 2.99Å |
| 477 | W | 62.3 | Low | 52.9 | Low | 130 Ų | 130 | 135 Ų | 135 | 49% | 0.492 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -68.9 | -29 | -178.2 | 92.9 | -84.2 | 0 | 0 | 0 | 113.3 | L475 E479 | L475-W477 VanDerWaalsContact C-N 3.34Å; L475-W477 PolarHBondContact O-N 3.38Å; W477-E479 VanDerWaalsContact C-N 3.34Å |
| 478 | W | 57.5 | Low | 52.8 | Low | 181 Ų | 181 | 138.7 Ų | 138.7 | 69% | 0.686 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -72.1 | -30.6 | 173.4 | -75.7 | 107.4 | 0 | 0 | 0 | 111.7 | E476 | E476-W478 VanDerWaalsContact C-N 3.31Å; E476-W478 PolarHBondContact O-N 2.69Å |
| 479 | E | 67 | Low | 52.4 | Low | 169 Ų | 169 | 133.2 Ų | 133.2 | 79% | 0.79 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -81.3 | -20.4 | -178.3 | -153.5 | 168.9 | -160.1 | 0 | 0 | 112.6 | E476 W477 | E476-E479 PolarHBondContact O-N 2.85Å; W477-E479 VanDerWaalsContact C-N 3.34Å |
| 480 | K | 71 | Confident | 51.7 | Low | 145 Ų | 145 | 133.6 Ų | 133.6 | 63% | 0.63 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | 13.4 | 179.6 | -71.4 | 177.7 | -173.6 | 156.2 | 0 | 115.1 | E476 | E476-K480 PolarHBondContact O-N 3.39Å; E476-K480 VanDerWaalsContact O-N 3.15Å; E476-K480 WeakPolarHBondContact OE2-CE 3.35Å; E476-K480 IonicContact OE2-NZ 2.86Å; E476-K480 PolarHBondContact OE2-NZ 2.99Å |
| 481 | Q | 49.1 | Very low | 51.3 | Low | 96 Ų | 96 | 131.6 Ų | 131.6 | 45% | 0.449 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -63.4 | 133.6 | 173.6 | -71.1 | -63.8 | -45 | 0 | 0 | 110.5 | E483 | Q481-E483 PolarHBondContact O-N 2.93Š|
| 482 | P | 52.4 | Low | 50.9 | Low | 89 Ų | 89 | 129.6 Ų | 129.6 | 58% | 0.578 | 66% | 0.663 | S | S | * | * | trans | -56 | 139.3 | 176.9 | 22.8 | -31.5 | 0 | 0 | 0 | 109.6 | V484 Y485 | P482-V484 HydrophobicContact CB-CG2 4.49Å; P482-V484 PolarHBondContact O-N 3.46Å; P482-Y485 PolarHBondContact O-N 3.33Å | ||
| 483 | E | 55.7 | Low | 49.9 | Very low | 147 Ų | 147 | 130.3 Ų | 130.3 | 69% | 0.687 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -58.3 | -1 | -169.5 | -146.9 | 153.2 | -143.9 | 0 | 0 | 115.4 | Q481 Y485 K486 | Q481-E483 PolarHBondContact O-N 2.93Å; E483-Y485 VanDerWaalsContact C-N 3.31Å; E483-Y485 PolarHBondContact O-N 3Å; E483-K486 HydrophobicContact CG-CD 4.07Å; E483-K486 IonicContact OE1-NZ 3.66Å; E483-K486 PolarHBondContact OE1-NZ 3.16Å |
| 484 | V | 55.5 | Low | 49.5 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 77% | 0.77 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -73.7 | -17 | 179.4 | -167.1 | 0 | 0 | 0 | 0 | 112.9 | P482 | P482-V484 HydrophobicContact CB-CG2 4.49Å; P482-V484 PolarHBondContact O-N 3.46Å |
| 485 | Y | 43.7 | Very low | 48.9 | Very low | 208 Ų | 208 | 134.1 Ų | 134.1 | 82% | 0.816 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -116.3 | 15.4 | 179.6 | -104.5 | -88 | 0 | 0 | 0 | 115.1 | P482 E483 P487 | P482-Y485 PolarHBondContact O-N 3.33Å; E483-Y485 VanDerWaalsContact C-N 3.31Å; E483-Y485 PolarHBondContact O-N 3Å; Y485-P487 VanDerWaalsContact O-CD 3.26Å; Y485-P487 WeakPolarHBondContact O-CD 3.48Å |
| 486 | K | 43.5 | Very low | 48.5 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 60% | 0.604 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -66.8 | 116.7 | 161.5 | -80.6 | 177.2 | -176.3 | 165.8 | 0 | 106.8 | E483 Q488 | E483-K486 HydrophobicContact CG-CD 4.07Å; E483-K486 IonicContact OE1-NZ 3.66Å; E483-K486 PolarHBondContact OE1-NZ 3.16Å; K486-Q488 PolarHBondContact O-N 2.9Å |
| 487 | P | 40.5 | Very low | 47.5 | Very low | 114 Ų | 114 | 135 Ų | 135 | 74% | 0.74 | 71% | 0.711 | S | S | * | * | trans | -52.8 | 125.8 | 165.7 | 23 | -29.8 | 0 | 0 | 0 | 105.5 | Y485 T489 | Y485-P487 VanDerWaalsContact O-CD 3.26Å; Y485-P487 WeakPolarHBondContact O-CD 3.48Å; P487-T489 VanDerWaalsContact C-N 3.31Å; P487-T489 PolarHBondContact O-N 3.08Å | ||
| 488 | Q | 42.4 | Very low | 46.5 | Very low | 188 Ų | 188 | 134.4 Ų | 134.4 | 88% | 0.879 | 72% | 0.724 | S | S | * | * | trans | -49.5 | 104.7 | 176.4 | -80.3 | 179.4 | -20.9 | 0 | 0 | 106.9 | K486 P490 | K486-Q488 PolarHBondContact O-N 2.9Å; Q488-P490 WeakPolarHBondContact O-CD 3.23Å; Q488-P490 VanDerWaalsContact O-N 3.1Å | ||
| 489 | T | 40.5 | Very low | 45.4 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 69% | 0.687 | 72% | 0.721 | S | S | * | * | trans | -50.3 | 120.4 | 159.1 | 39.1 | 0 | 0 | 0 | 0 | 104.3 | P487 S491 | P487-T489 VanDerWaalsContact C-N 3.31Å; P487-T489 PolarHBondContact O-N 3.08Å; T489-S491 VanDerWaalsContact C-N 3.29Å; T489-S491 PolarHBondContact O-N 3.07Å | ||
| 490 | P | 36 | Very low | 44 | Very low | 125 Ų | 125 | 129 Ų | 129 | 81% | 0.812 | 72% | 0.723 | S | S | * | * | trans | -56.6 | 106.9 | 173.7 | 21.9 | -29.1 | 0 | 0 | 0 | 105.6 | Q488 T492 | Q488-P490 WeakPolarHBondContact O-CD 3.23Å; Q488-P490 VanDerWaalsContact O-N 3.1Å; P490-T492 PolarHBondContact O-N 3.18Å | ||
| 491 | S | 39.8 | Very low | 42.4 | Very low | 99 Ų | 99 | 132.8 Ų | 132.8 | 69% | 0.692 | 73% | 0.734 | S | S | * | * | trans | -63.3 | 135.4 | 175.6 | -64.3 | 0 | 0 | 0 | 0 | 105.7 | T489 | T489-S491 VanDerWaalsContact C-N 3.29Å; T489-S491 PolarHBondContact O-N 3.07Å | ||
| 492 | T | 41.9 | Very low | 41.6 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | trans | 67 | 112.9 | 176.1 | 46.1 | 0 | 0 | 0 | 0 | 117.3 | P490 S494 | P490-T492 PolarHBondContact O-N 3.18Å; T492-S494 VanDerWaalsContact C-N 3.25Å; T492-S494 WeakPolarHBondContact CB-OG 3.33Å; T492-S494 PolarHBondContact O-N 3.48Å | ||
| 493 | P | 32 | Very low | 40.7 | Very low | 143 Ų | 143 | 139.4 Ų | 139.4 | 93% | 0.929 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -77.4 | 83.1 | 160.6 | 33.2 | -27.2 | 0 | 0 | 0 | 107.4 | ||
| 494 | S | 42.1 | Very low | 39.9 | Very low | 92 Ų | 92 | 137 Ų | 137 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | trans | -135.9 | 9 | 176 | 51.9 | 0 | 0 | 0 | 0 | 114.6 | T492 | T492-S494 VanDerWaalsContact C-N 3.25Å; T492-S494 WeakPolarHBondContact CB-OG 3.33Å; T492-S494 PolarHBondContact O-N 3.48Å | ||
| 495 | E | 40.8 | Very low | 38.8 | Very low | 174 Ų | 174 | 141.1 Ų | 141.1 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -130.3 | 130 | 164.6 | -84.1 | -175.3 | 145.5 | 0 | 0 | 109.8 | V497 | E495-V497 PolarHBondContact O-N 3.42Š|
| 496 | P | 45.5 | Very low | 38.6 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | trans | -66.7 | 111.1 | 172.9 | 28.1 | -30.3 | 0 | 0 | 0 | 107.8 | P498 | P496-P498 WeakPolarHBondContact O-CD 3.46Å; P496-P498 VanDerWaalsContact O-N 3.16Å | ||
| 497 | V | 38.3 | Very low | 38.3 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | -48.2 | 124 | 157.9 | 178.8 | 0 | 0 | 0 | 0 | 105.8 | E495 A499 | E495-V497 PolarHBondContact O-N 3.42Å; V497-A499 VanDerWaalsContact C-N 3.34Å; V497-A499 PolarHBondContact O-N 3.13Å | ||
| 498 | P | 41.6 | Very low | 38.1 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | trans | -56.4 | 106.2 | 176.1 | -19.4 | 29.6 | 0 | 0 | 0 | 106.5 | P496 L500 | P496-P498 WeakPolarHBondContact O-CD 3.46Å; P496-P498 VanDerWaalsContact O-N 3.16Å; P498-L500 PolarHBondContact O-N 3.39Å | ||
| 499 | A | 35.1 | Very low | 37.8 | Very low | 77 Ų | 77 | 141.7 Ų | 141.7 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | trans | -49.3 | 122.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 104.8 | V497 R501 | V497-A499 VanDerWaalsContact C-N 3.34Å; V497-A499 PolarHBondContact O-N 3.13Å; A499-R501 PolarHBondContact O-N 3.32Å | ||
| 500 | L | 37.2 | Very low | 37.7 | Very low | 160 Ų | 160 | 146.3 Ų | 146.3 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -48.6 | 96.1 | 156.4 | -87.2 | 156.3 | 0 | 0 | 0 | 104.6 | P498 F502 | P498-L500 PolarHBondContact O-N 3.39Å; L500-F502 PolarHBondContact O-N 3.15Å | ||
| 501 | R | 35.9 | Very low | 38 | Very low | 223 Ų | 223 | 148.8 Ų | 148.8 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | trans | -66.8 | 91.5 | 178.2 | -85.4 | -177.5 | 159.3 | 156 | -4.8 | 103.8 | A499 N503 | A499-R501 PolarHBondContact O-N 3.32Å; R501-N503 PolarHBondContact O-N 3.34Å; R501-N503 VanDerWaalsContact O-N 3.07Å | ||
| 502 | F | 33.7 | Very low | 38 | Very low | 181 Ų | 181 | 152.1 Ų | 152.1 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -48.7 | 118 | 151.3 | -81.3 | -86.4 | 0 | 0 | 0 | 105.2 | L500 S504 | L500-F502 PolarHBondContact O-N 3.15Å; F502-S504 PolarHBondContact O-N 3.45Å | ||
| 503 | N | 33.8 | Very low | 38.2 | Very low | 143 Ų | 143 | 152.7 Ų | 152.7 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | trans | -57.9 | 86.2 | 178 | -74.1 | -41 | 0 | 0 | 0 | 108.4 | R501 Y505 | R501-N503 PolarHBondContact O-N 3.34Å; R501-N503 VanDerWaalsContact O-N 3.07Å; N503-Y505 PolarHBondContact O-N 3.41Å | ||
| 504 | S | 37.3 | Very low | 38.6 | Very low | 98 Ų | 98 | 152.9 Ų | 152.9 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | trans | -64.2 | 92 | 153.3 | 56 | 0 | 0 | 0 | 0 | 104.9 | F502 H506 | F502-S504 PolarHBondContact O-N 3.45Å; S504-H506 PolarHBondContact O-N 3.03Å | ||
| 505 | Y | 33.5 | Very low | 38.4 | Very low | 212 Ų | 212 | 155.3 Ų | 155.3 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | trans | -61.6 | 86.2 | 168.3 | -121.2 | -94.7 | 0 | 0 | 0 | 107.2 | N503 P507 | N503-Y505 PolarHBondContact O-N 3.41Å; Y505-P507 WeakPolarHBondContact O-CD 3.43Å | ||
| 506 | H | 39.4 | Very low | 38.3 | Very low | 162 Ų | 162 | 153.7 Ų | 153.7 | 75% | 0.75 | 79% | 0.786 | S | S | * | * | trans | -87.7 | 113.2 | 159.6 | -97.8 | -41.5 | 0 | 0 | 0 | 107.1 | S504 R508 | S504-H506 PolarHBondContact O-N 3.03Å; H506-R508 PolarHBondContact O-N 2.83Å | ||
| 507 | P | 37.8 | Very low | 38 | Very low | 115 Ų | 115 | 157 Ų | 157 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | trans | -82.7 | 76.4 | 171.7 | 33 | -29.9 | 0 | 0 | 0 | 108.3 | Y505 | Y505-P507 WeakPolarHBondContact O-CD 3.43Š| ||
| 508 | R | 36.3 | Very low | 37.9 | Very low | 220 Ų | 220 | 159.4 Ų | 159.4 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | trans | -152.8 | 97.7 | 163.6 | -82.4 | -163.1 | 177.7 | -170.7 | -1.7 | 107.5 | H506 | H506-R508 PolarHBondContact O-N 2.83Š| ||
| 509 | D | 35.6 | Very low | 37.6 | Very low | 165 Ų | 165 | 158.1 Ų | 158.1 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | -175.6 | 79.3 | 151.9 | -82 | -24.5 | 0 | 0 | 0 | 105.8 | ||||
| 510 | F | 38.8 | Very low | 37.5 | Very low | 208 Ų | 208 | 163.1 Ų | 163.1 | 91% | 0.912 | 80% | 0.795 | S | S | * | * | trans | -109.7 | 101.7 | 156.5 | -104.6 | -83.6 | 0 | 0 | 0 | 105.9 | ||||
| 511 | E | 42 | Very low | 37.3 | Very low | 177 Ų | 177 | 161.6 Ų | 161.6 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | 12.2 | 111.9 | 159.5 | -66.1 | 176.7 | 152.3 | 0 | 0 | 117.2 | P513 | E511-P513 WeakPolarHBondContact O-CD 3.4Š| ||
| 512 | E | 39.5 | Very low | 37.4 | Very low | 170 Ų | 170 | 157.6 Ų | 157.6 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | -84.1 | 119 | 157.5 | -176 | 175.7 | -155.4 | 0 | 0 | 108.6 | ||||
| 513 | P | 46.5 | Very low | 37.5 | Very low | 119 Ų | 119 | 156 Ų | 156 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -85.4 | 107.9 | 160 | -1.2 | 20.4 | 0 | 0 | 0 | 108.3 | E511 D515 | E511-P513 WeakPolarHBondContact O-CD 3.4Å; P513-D515 PolarHBondContact O-N 3.2Å | ||
| 514 | L | 39 | Very low | 37.4 | Very low | 147 Ų | 147 | 155.8 Ų | 155.8 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -59 | 121.3 | 158.3 | -70.9 | 162.3 | 0 | 0 | 0 | 108.4 | ||||
| 515 | D | 39 | Very low | 37.3 | Very low | 143 Ų | 143 | 156 Ų | 156 | 77% | 0.765 | 80% | 0.797 | S | S | * | * | -179.5 | 150.2 | 116 | -113.8 | -27.1 | 0 | 0 | 0 | 114.2 | P513 | P513-D515 PolarHBondContact O-N 3.2Š| |||
| 516 | L | 38.3 | Very low | 37.3 | Very low | 139 Ų | 139 | 155.1 Ų | 155.1 | 73% | 0.728 | 80% | 0.798 | S | S | * | * | trans | 75.2 | 101.3 | 160.3 | -88.7 | 76.3 | 0 | 0 | 0 | 119.9 | ||||
| 517 | K | 38.4 | Very low | 37 | Very low | 192 Ų | 192 | 154 Ų | 154 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | 18.2 | 128.5 | 120.6 | -62.6 | -178.4 | 177.1 | -179.9 | 0 | 114 | |||||
| 518 | E | 37.2 | Very low | 36.8 | Very low | 179 Ų | 179 | 156.1 Ų | 156.1 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | -179.4 | 147.6 | 76.3 | -149.7 | 157.8 | -160.2 | 0 | 0 | 108.6 | |||||
| 519 | S | 35.5 | Very low | 36.6 | Very low | 91 Ų | 91 | 150.1 Ų | 150.1 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | trans | -48.4 | 141.4 | 173.5 | 49.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 520 | Q | 33.3 | Very low | 36.6 | Very low | 182 Ų | 182 | 153 Ų | 153 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | 173.7 | 132.8 | 107.2 | -97.6 | 175.9 | 3.1 | 0 | 0 | 112.3 | |||||
| 521 | T | 33.3 | Very low | 36.6 | Very low | 127 Ų | 127 | 148 Ų | 148 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -46.7 | 141.4 | 161.9 | 48.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 522 | V | 38.2 | Very low | 36.2 | Very low | 139 Ų | 139 | 148.5 Ų | 148.5 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | -166.7 | 127.6 | 129.1 | 165.1 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 523 | D | 33.9 | Very low | 36.1 | Very low | 148 Ų | 148 | 148.9 Ų | 148.9 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -47 | 139.3 | 166.1 | -84.3 | -51.8 | 0 | 0 | 0 | 113.3 | ||||
| 524 | T | 33.4 | Very low | 35.8 | Very low | 139 Ų | 139 | 147.1 Ų | 147.1 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | -172.4 | 139.5 | 120 | 18.4 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 525 | S | 34.6 | Very low | 35.6 | Very low | 101 Ų | 101 | 147.2 Ų | 147.2 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | -60.4 | 157.5 | 175.1 | 56.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 526 | F | 32.9 | Very low | 35.5 | Very low | 194 Ų | 194 | 146 Ų | 146 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | 124.4 | 123.4 | 145.7 | -102.7 | -94.2 | 0 | 0 | 0 | 116 | ||||
| 527 | D | 33.9 | Very low | 35.5 | Very low | 140 Ų | 140 | 147 Ų | 147 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | -43 | 130.8 | 167.3 | -69.7 | -54.6 | 0 | 0 | 0 | 112.5 | ||||
| 528 | D | 34 | Very low | 35.5 | Very low | 158 Ų | 158 | 143.6 Ų | 143.6 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | 177.3 | 145.6 | 108.1 | -101.4 | -32.6 | 0 | 0 | 0 | 111.5 | |||||
| 529 | A | 31.6 | Very low | 35.6 | Very low | 95 Ų | 95 | 144.9 Ų | 144.9 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -65.4 | 129.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 530 | W | 36.4 | Very low | 35.9 | Very low | 226 Ų | 226 | 149.6 Ų | 149.6 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | -117.9 | 121.2 | 161.2 | -103.9 | 63.9 | 0 | 0 | 0 | 107.5 | ||||
| 531 | V | 38.9 | Very low | 36.3 | Very low | 103 Ų | 103 | 151.8 Ų | 151.8 | 62% | 0.624 | 79% | 0.785 | S | S | * | * | 57.1 | 92.4 | 75 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 532 | Q | 32.9 | Very low | 36.4 | Very low | 187 Ų | 187 | 155.2 Ų | 155.2 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | 68.1 | 86.6 | 83.1 | -162.9 | 158.7 | -1.3 | 0 | 0 | 113.9 | |||||
| 533 | E | 38.1 | Very low | 36.2 | Very low | 178 Ų | 178 | 154.2 Ų | 154.2 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -141.2 | 144.8 | 155.1 | -86.4 | -177.1 | 162.3 | 0 | 0 | 104.5 | ||||
| 534 | S | 38.9 | Very low | 36.4 | Very low | 82 Ų | 82 | 156.2 Ų | 156.2 | 57% | 0.573 | 79% | 0.793 | S | S | * | * | cis | 169.4 | 144.1 | -3.1 | 55 | 0 | 0 | 0 | 0 | 104 | ||||
| 535 | I | 35.7 | Very low | 36.5 | Very low | 148 Ų | 148 | 158.1 Ų | 158.1 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | 70.4 | 130.3 | 138.6 | -61.8 | 165.1 | 0 | 0 | 0 | 116 | ||||
| 536 | D | 36.8 | Very low | 36.7 | Very low | 119 Ų | 119 | 159.9 Ų | 159.9 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | cis | -164.4 | 160 | 8.7 | -119.7 | -18.1 | 0 | 0 | 0 | 109.7 | ||||
| 537 | E | 38.7 | Very low | 37.1 | Very low | 160 Ų | 160 | 159.4 Ų | 159.4 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | 53.7 | 133.8 | 142.4 | -62.5 | -179.4 | 156.6 | 0 | 0 | 120.6 | ||||
| 538 | T | 37.3 | Very low | 37.1 | Very low | 119 Ų | 119 | 158.9 Ų | 158.9 | 73% | 0.73 | 80% | 0.8 | S | S | * | * | cis | -178.5 | 108.1 | 9.5 | 26.3 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 539 | E | 40.1 | Very low | 37.5 | Very low | 206 Ų | 206 | 161 Ų | 161 | 96% | 0.963 | 80% | 0.802 | S | S | * | * | trans | -161.5 | 87.5 | 149.1 | -118 | 179.1 | -179.7 | 0 | 0 | 109.8 | ||||
| 540 | K | 41.6 | Very low | 37.9 | Very low | 191 Ų | 191 | 168 Ų | 168 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | trans | -74.9 | 127.4 | 175.5 | -65 | 172.1 | 176.3 | 168.4 | 0 | 108.3 | ||||
| 541 | R | 40.5 | Very low | 37.7 | Very low | 227 Ų | 227 | 165 Ų | 165 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | 172.7 | 118.8 | 105.8 | -89.6 | 158.5 | -173.9 | -161.4 | 2.6 | 113.3 | |||||
| 542 | K | 35.4 | Very low | 37.5 | Very low | 200 Ų | 200 | 170.2 Ų | 170.2 | 87% | 0.87 | 82% | 0.816 | S | S | * | * | trans | 77.8 | 74 | 148.6 | -61.7 | -180 | 177.5 | -179.4 | 0 | 118.5 | ||||
| 543 | S | 35.6 | Very low | 37.4 | Very low | 117 Ų | 117 | 171.3 Ų | 171.3 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -119.4 | 105.9 | 145.4 | 58 | 0 | 0 | 0 | 0 | 108.9 | Q545 | S543-Q545 PolarHBondContact O-N 3.21Š| ||
| 544 | H | 37.9 | Very low | 37.3 | Very low | 191 Ų | 191 | 172.8 Ų | 172.8 | 88% | 0.884 | 81% | 0.81 | S | S | * | * | trans | -71.7 | 128.1 | 172.3 | -100.2 | -76.4 | 0 | 0 | 0 | 109.9 | ||||
| 545 | Q | 34.2 | Very low | 36.8 | Very low | 179 Ų | 179 | 179.4 Ų | 179.4 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | trans | -51.5 | 126.3 | 179.2 | -67.3 | 171.3 | -9.4 | 0 | 0 | 113.8 | S543 | S543-Q545 PolarHBondContact O-N 3.21Š| ||
| 546 | T | 39 | Very low | 37 | Very low | 138 Ų | 138 | 176.9 Ų | 176.9 | 85% | 0.847 | 82% | 0.819 | S | S | * | * | trans | -109.3 | 116.9 | 150.5 | 20.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 547 | K | 42.1 | Very low | 36.9 | Very low | 183 Ų | 183 | 180.2 Ų | 180.2 | 80% | 0.796 | 82% | 0.823 | S | S | * | * | trans | -58.7 | 143.9 | 177.2 | -64.7 | -179.1 | 178.5 | -178.4 | 0 | 110.9 | K549 | K547-K549 PolarHBondContact O-N 3.12Å; K547-K549 VanDerWaalsContact O-N 3.13Å | ||
| 548 | P | 33.8 | Very low | 36.5 | Very low | 130 Ų | 130 | 183.6 Ų | 183.6 | 84% | 0.844 | 83% | 0.829 | S | S | * | * | trans | -72.7 | 109.4 | 176.3 | 29.8 | -30.7 | 0 | 0 | 0 | 109.1 | R550 | P548-R550 PolarHBondContact O-N 2.99Š| ||
| 549 | K | 42.2 | Very low | 36.4 | Very low | 203 Ų | 203 | 182.7 Ų | 182.7 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | trans | -77 | 112.4 | 170.5 | -85.7 | -178.1 | 177.7 | 174.8 | 0 | 108.9 | K547 I551 | K547-K549 PolarHBondContact O-N 3.12Å; K547-K549 VanDerWaalsContact O-N 3.13Å; K549-I551 PolarHBondContact O-N 3.42Å | ||
| 550 | R | 39.1 | Very low | 36.5 | Very low | 242 Ų | 242 | 180.3 Ų | 180.3 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | trans | -34.9 | 118 | 169 | -76.5 | 176 | 164.3 | 174 | -5.9 | 112.1 | P548 R552 | P548-R550 PolarHBondContact O-N 2.99Å; R550-R552 PolarHBondContact O-N 3.05Å | ||
| 551 | I | 32.6 | Very low | 36.3 | Very low | 163 Ų | 163 | 184.2 Ų | 184.2 | 84% | 0.836 | 83% | 0.831 | S | S | * | * | trans | -68.6 | 95.1 | 168.2 | -61.8 | 171.2 | 0 | 0 | 0 | 107.6 | K549 R553 | K549-I551 PolarHBondContact O-N 3.42Å; I551-R553 PolarHBondContact O-N 3.29Å | ||
| 552 | R | 34.1 | Very low | 36.4 | Very low | 212 Ų | 212 | 177 Ų | 177 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | trans | -89.4 | 98.8 | 169.6 | -152.2 | 174 | -177 | 173.4 | 1.6 | 107.1 | R550 R554 | R550-R552 PolarHBondContact O-N 3.05Å; R552-R554 PolarHBondContact O-N 2.99Å; R552-R554 VanDerWaalsContact O-N 3.07Å | ||
| 553 | R | 32.3 | Very low | 36.9 | Very low | 210 Ų | 210 | 175.9 Ų | 175.9 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | trans | -50.5 | 112.2 | 171.4 | -72.3 | 178.7 | 173.1 | 174.9 | -2.6 | 109.3 | I551 | I551-R553 PolarHBondContact O-N 3.29Š| ||
| 554 | R | 35.9 | Very low | 37.7 | Very low | 208 Ų | 208 | 174.8 Ų | 174.8 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -118.8 | 104.8 | 158.5 | -75.8 | -167.3 | -176.2 | -145.1 | 2.1 | 107.3 | R552 S556 | R552-R554 PolarHBondContact O-N 2.99Å; R552-R554 VanDerWaalsContact O-N 3.07Å; R554-S556 PolarHBondContact O-N 3.17Å | ||
| 555 | Y | 28.5 | Very low | 38.3 | Very low | 221 Ų | 221 | 174 Ų | 174 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -65 | 105.2 | 156.7 | -74.4 | -91.4 | 0 | 0 | 0 | 106.9 | ||||
| 556 | S | 39.4 | Very low | 39.1 | Very low | 95 Ų | 95 | 172.8 Ų | 172.8 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | trans | -148.1 | 104.9 | 162.8 | 63.4 | 0 | 0 | 0 | 0 | 110.3 | R554 | R554-S556 PolarHBondContact O-N 3.17Š| ||
| 557 | R | 33.5 | Very low | 40.1 | Very low | 189 Ų | 189 | 169.9 Ų | 169.9 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | trans | 64.8 | 95.4 | 136.9 | -148.1 | 169 | -176.9 | 171.4 | -1.3 | 116.3 | S559 | R557-S559 PolarHBondContact O-N 2.96Š| ||
| 558 | W | 31.9 | Very low | 41.1 | Very low | 232 Ų | 232 | 166 Ų | 166 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | trans | -61.2 | 109.6 | 162.8 | -66 | -1.6 | 0 | 0 | 0 | 110 | ||||
| 559 | S | 35.7 | Very low | 42.3 | Very low | 99 Ų | 99 | 166.9 Ų | 166.9 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | trans | 179.4 | 87.7 | 159.8 | -70.9 | 0 | 0 | 0 | 0 | 105.5 | R557 | R557-S559 PolarHBondContact O-N 2.96Š| ||
| 560 | D | 42.3 | Very low | 43.2 | Very low | 156 Ų | 156 | 160.6 Ų | 160.6 | 83% | 0.834 | 73% | 0.734 | S | S | * | * | trans | 175.4 | 79.2 | 158.8 | -86.9 | -16.6 | 0 | 0 | 0 | 107.1 | ||||
| 561 | W | 35.4 | Very low | 44.1 | Very low | 274 Ų | 274 | 154.9 Ų | 154.9 | 100% | 1.038 | 72% | 0.717 | S | S | * | * | trans | -95.9 | 87.1 | 153.8 | -75.6 | 75 | 0 | 0 | 0 | 105.1 | ||||
| 562 | S | 44 | Very low | 45.8 | Very low | 74 Ų | 74 | 154.7 Ų | 154.7 | 52% | 0.517 | 71% | 0.71 | S | S | . | * | trans | -102.6 | 142.2 | 159.6 | 61.1 | 0 | 0 | 0 | 0 | 108.3 | D564 | S562-D564 PolarHBondContact O-N 3.03Å; S562-D564 PolarHBondContact OG-OD2 3.45Å | ||
| 563 | E | 45.3 | Very low | 47.1 | Very low | 178 Ų | 178 | 147.2 Ų | 147.2 | 83% | 0.832 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -64.9 | 41.4 | -176.3 | -65 | 164.8 | 144.1 | 0 | 0 | 114.1 | ||
| 564 | D | 52.6 | Low | 48.3 | Very low | 94 Ų | 94 | 143.1 Ų | 143.1 | 50% | 0.503 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -91.4 | 5.5 | -172.2 | -73.3 | -45.6 | 0 | 0 | 0 | 114.7 | S562 N568 | S562-D564 PolarHBondContact O-N 3.03Å; S562-D564 PolarHBondContact OG-OD2 3.45Å; D564-N568 PolarHBondContact O-ND2 3.45Å |
| 565 | E | 50.7 | Low | 49.4 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -86 | -32.3 | 171.6 | -79.9 | -159.2 | 140.4 | 0 | 0 | 113.5 | T567 N568 E569 | E565-T567 PolarHBondContact O-N 3.43Å; E565-N568 PolarHBondContact O-N 3.03Å; E565-E569 PolarHBondContact O-N 3.35Å |
| 566 | E | 50.2 | Low | 50.9 | Low | 152 Ų | 152 | 134 Ų | 134 | 71% | 0.71 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -71 | -29.6 | 179.6 | -104.3 | -177.6 | 161 | 0 | 0 | 113.1 | S570 | E566-S570 WeakPolarHBondContact O-CB 3.43Å; E566-S570 PolarHBondContact O-N 3.47Å; E566-S570 PolarHBondContact O-OG 3.37Å |
| 567 | T | 60.4 | Low | 51.6 | Low | 77 Ų | 77 | 137.2 Ų | 137.2 | 47% | 0.472 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -78.6 | -29.6 | 179.4 | 47.3 | 0 | 0 | 0 | 0 | 113 | E565 Q571 | E565-T567 PolarHBondContact O-N 3.43Å; T567-Q571 WeakPolarHBondContact O-CB 3.47Å; T567-Q571 PolarHBondContact O-N 2.86Å; T567-Q571 VanDerWaalsContact O-N 3.07Å |
| 568 | N | 62.5 | Low | 52.5 | Low | 101 Ų | 101 | 136.1 Ų | 136.1 | 54% | 0.54 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -77 | -34.3 | 177.6 | -89.5 | -52.4 | 0 | 0 | 0 | 113.3 | D564 E565 K572 | D564-N568 PolarHBondContact O-ND2 3.45Å; E565-N568 PolarHBondContact O-N 3.03Å; N568-K572 PolarHBondContact O-N 3.13Å |
| 569 | E | 60.1 | Low | 53.2 | Low | 150 Ų | 150 | 127.9 Ų | 127.9 | 70% | 0.701 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -72.3 | -37.3 | 172.9 | -75 | -167.9 | 143.6 | 0 | 0 | 111.9 | E565 K572 A573 | E565-E569 PolarHBondContact O-N 3.35Å; E569-K572 PolarHBondContact O-N 2.88Å; E569-A573 PolarHBondContact O-N 2.93Å |
| 570 | S | 60.6 | Low | 53.6 | Low | 71 Ų | 71 | 130.7 Ų | 130.7 | 50% | 0.497 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -66.9 | -37.8 | 175.9 | -57.8 | 0 | 0 | 0 | 0 | 113.1 | E566 A573 Q574 | E566-S570 WeakPolarHBondContact O-CB 3.43Å; E566-S570 PolarHBondContact O-N 3.47Å; E566-S570 PolarHBondContact O-OG 3.37Å; S570-A573 PolarHBondContact O-N 3.44Å; S570-Q574 PolarHBondContact O-N 2.97Å |
| 571 | Q | 57.3 | Low | 53.5 | Low | 122 Ų | 122 | 127.8 Ų | 127.8 | 57% | 0.57 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -70.9 | -34.4 | 174.8 | -84.6 | -173.8 | -4.7 | 0 | 0 | 113.3 | T567 Q575 | T567-Q571 WeakPolarHBondContact O-CB 3.47Å; T567-Q571 PolarHBondContact O-N 2.86Å; T567-Q571 VanDerWaalsContact O-N 3.07Å; Q571-Q575 PolarHBondContact O-N 3Å; Q571-Q575 VanDerWaalsContact O-N 3.08Å |
| 572 | K | 69.5 | Low | 53.8 | Low | 159 Ų | 159 | 124.1 Ų | 124.1 | 69% | 0.691 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -68.5 | -36.3 | 173.3 | -92.8 | 178.1 | 175 | 173.1 | 0 | 112.3 | N568 E569 S576 | N568-K572 PolarHBondContact O-N 3.13Å; E569-K572 PolarHBondContact O-N 2.88Å; K572-S576 PolarHBondContact O-N 2.92Å |
| 573 | A | 60.9 | Low | 53.7 | Low | 54 Ų | 54 | 127.3 Ų | 127.3 | 45% | 0.446 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -64.6 | -42 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E569 S570 S576 Q577 | E569-A573 PolarHBondContact O-N 2.93Å; S570-A573 PolarHBondContact O-N 3.44Å; A573-S576 PolarHBondContact O-N 2.88Å; A573-S576 PolarHBondContact O-OG 3.39Å; A573-Q577 PolarHBondContact O-N 3.37Å |
| 574 | Q | 58 | Low | 53.4 | Low | 125 Ų | 125 | 128.2 Ų | 128.2 | 58% | 0.584 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -69.5 | -39.1 | 177 | -77.3 | -178.2 | -15.8 | 0 | 0 | 113.6 | S570 S576 Q577 E578 | S570-Q574 PolarHBondContact O-N 2.97Å; Q574-S576 PolarHBondContact O-N 2.95Å; Q574-Q577 PolarHBondContact O-N 3.47Å; Q574-E578 PolarHBondContact O-N 2.91Å |
| 575 | Q | 59.1 | Low | 52.6 | Low | 151 Ų | 151 | 135 Ų | 135 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -64.5 | -25.4 | 174.6 | -85.8 | -174.8 | 1.5 | 0 | 0 | 113.5 | Q571 | Q571-Q575 PolarHBondContact O-N 3Å; Q571-Q575 VanDerWaalsContact O-N 3.08Å |
| 576 | S | 58.8 | Low | 52.1 | Low | 86 Ų | 86 | 131 Ų | 131 | 60% | 0.601 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -80 | -22.4 | 176.9 | 71.8 | 0 | 0 | 0 | 0 | 113.8 | K572 A573 Q574 | K572-S576 PolarHBondContact O-N 2.92Å; A573-S576 PolarHBondContact O-N 2.88Å; A573-S576 PolarHBondContact O-OG 3.39Å; Q574-S576 PolarHBondContact O-N 2.95Å |
| 577 | Q | 55.6 | Low | 51.8 | Low | 162 Ų | 162 | 133.5 Ų | 133.5 | 76% | 0.757 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -85.5 | -29.8 | 175.3 | -84.4 | -171.7 | -16 | 0 | 0 | 113.4 | A573 Q574 G579 | A573-Q577 PolarHBondContact O-N 3.37Å; Q574-Q577 PolarHBondContact O-N 3.47Å; Q577-G579 VanDerWaalsContact C-N 3.28Å; Q577-G579 PolarHBondContact O-N 2.79Å |
| 578 | E | 51.7 | Low | 50.5 | Low | 166 Ų | 166 | 138.8 Ų | 138.8 | 78% | 0.776 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -81 | -3.1 | 178.8 | -73.2 | -175 | 150 | 0 | 0 | 114.2 | Q574 N580 | Q574-E578 PolarHBondContact O-N 2.91Å; E578-N580 PolarHBondContact O-N 3.31Å |
| 579 | G | 46.7 | Very low | 49.2 | Very low | 60 Ų | 60 | 145.5 Ų | 145.5 | 62% | 0.619 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -77.4 | -8.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q577 | Q577-G579 VanDerWaalsContact C-N 3.28Å; Q577-G579 PolarHBondContact O-N 2.79Å |
| 580 | N | 44.7 | Very low | 48.2 | Very low | 157 Ų | 157 | 143.9 Ų | 143.9 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -116.7 | 15 | -167.9 | -84.2 | -17 | 0 | 0 | 0 | 116.5 | E578 | E578-N580 PolarHBondContact O-N 3.31Š|
| 581 | A | 39.2 | Very low | 47 | Very low | 95 Ų | 95 | 146.7 Ų | 146.7 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | -124 | 86 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 582 | K | 41.3 | Very low | 46.3 | Very low | 197 Ų | 197 | 146.5 Ų | 146.5 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | trans | -137.2 | 97.8 | 171.9 | -90.8 | -175.7 | 178.3 | 172.1 | 0 | 111.7 | ||||
| 583 | T | 42.1 | Very low | 44.6 | Very low | 142 Ų | 142 | 146.2 Ų | 146.2 | 87% | 0.871 | 77% | 0.77 | S | S | * | * | trans | 170.3 | 119.6 | 148.6 | 21 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 584 | E | 39.7 | Very low | 43.3 | Very low | 197 Ų | 197 | 153.7 Ų | 153.7 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | cis | -154.7 | 155.7 | 47.9 | -69 | 177 | 125.4 | 0 | 0 | 111.6 | ||||
| 585 | R | 34.9 | Very low | 42.1 | Very low | 235 Ų | 235 | 151.7 Ų | 151.7 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | -106.9 | -174.9 | 169.2 | -131.3 | -169.2 | 169.3 | -179.8 | -1.1 | 107.2 | ||||
| 586 | P | 41.3 | Very low | 40.9 | Very low | 92 Ų | 92 | 152.1 Ų | 152.1 | 60% | 0.597 | 80% | 0.801 | S | S | * | * | cis | -138.8 | 172 | -21.3 | 29.6 | -7.8 | 0 | 0 | 0 | 114.3 | ||||
| 587 | K | 42.8 | Very low | 39.9 | Very low | 205 Ų | 205 | 153.3 Ų | 153.3 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | 169 | 141.1 | 117 | -91.7 | 171.4 | -177.2 | 176.2 | 0 | 114.2 | |||||
| 588 | Q | 33.4 | Very low | 39 | Very low | 187 Ų | 187 | 152.2 Ų | 152.2 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -77.4 | 158.6 | -172.1 | -62.2 | 162.9 | -47.6 | 0 | 0 | 114.7 | ||||
| 589 | R | 35.5 | Very low | 38.3 | Very low | 242 Ų | 242 | 152.7 Ų | 152.7 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | trans | -156.7 | 151.7 | 131.2 | -107.4 | 176.6 | -173.8 | -179.4 | 2.1 | 112.1 | ||||
| 590 | P | 39.3 | Very low | 38 | Very low | 117 Ų | 117 | 159.9 Ų | 159.9 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | trans | -98.8 | 174.6 | -154.8 | 41.3 | -36.9 | 0 | 0 | 0 | 114.8 | ||||
| 591 | P | 36 | Very low | 37.7 | Very low | 130 Ų | 130 | 156.5 Ų | 156.5 | 84% | 0.844 | 81% | 0.812 | S | S | * | * | trans | -93.8 | 160.7 | -165 | 37.1 | -30.8 | 0 | 0 | 0 | 113.6 | ||||
| 592 | S | 41 | Very low | 37.6 | Very low | 118 Ų | 118 | 159.3 Ų | 159.3 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -139.3 | 131.9 | 167.6 | 73.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 593 | D | 34 | Very low | 37.7 | Very low | 152 Ų | 152 | 159.8 Ų | 159.8 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | trans | -57.7 | 151.1 | 174.5 | -58.1 | -65.9 | 0 | 0 | 0 | 114.2 | ||||
| 594 | F | 33.8 | Very low | 37.5 | Very low | 212 Ų | 212 | 161 Ų | 161 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | -165.4 | 115.8 | 128.3 | -124.4 | -92 | 0 | 0 | 0 | 111.6 | |||||
| 595 | A | 32.4 | Very low | 37.6 | Very low | 82 Ų | 82 | 161.9 Ų | 161.9 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | trans | -88.3 | 166.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 596 | M | 35.5 | Very low | 37.9 | Very low | 160 Ų | 160 | 159.3 Ų | 159.3 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | trans | 87.3 | 118 | 162.3 | -60.4 | -151.9 | 59.8 | 0 | 0 | 119.4 | ||||
| 597 | S | 37.9 | Very low | 37.7 | Very low | 111 Ų | 111 | 164.7 Ų | 164.7 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | 169.6 | 97.4 | 118 | -169.5 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 598 | Q | 36.1 | Very low | 37.8 | Very low | 139 Ų | 139 | 161 Ų | 161 | 65% | 0.65 | 81% | 0.811 | S | S | * | * | 59.8 | 117 | 102.9 | -71.5 | -153.2 | 26.6 | 0 | 0 | 118.4 | |||||
| 599 | K | 36.2 | Very low | 38 | Very low | 176 Ų | 176 | 162 Ų | 162 | 77% | 0.765 | 81% | 0.813 | S | S | * | * | trans | 55.9 | 124.1 | 130.7 | -73.6 | 178.4 | 174.4 | 172.5 | 0 | 120.5 | ||||
| 600 | K | 41 | Very low | 38.2 | Very low | 211 Ų | 211 | 155.3 Ų | 155.3 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | 162.4 | 154.1 | 128.1 | -89.7 | 163.4 | -177.8 | -179.1 | 0 | 107.9 | |||||
| 601 | A | 38.1 | Very low | 38.1 | Very low | 86 Ų | 86 | 159.4 Ų | 159.4 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | cis | -172.9 | 131.9 | -24.8 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 602 | I | 37.8 | Very low | 38.1 | Very low | 154 Ų | 154 | 158.2 Ų | 158.2 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | 7.8 | 128.5 | 149.4 | -57.3 | 159.7 | 0 | 0 | 0 | 117.7 | ||||
| 603 | K | 42.1 | Very low | 38.1 | Very low | 208 Ų | 208 | 160.4 Ų | 160.4 | 90% | 0.904 | 81% | 0.806 | S | S | * | * | -160.5 | 125.5 | 129.4 | -108.3 | 167.9 | -171.6 | 179.3 | 0 | 113.6 | |||||
| 604 | E | 39 | Very low | 38.1 | Very low | 168 Ų | 168 | 160.9 Ų | 160.9 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -59.4 | 158.3 | 176 | -52.5 | 166.4 | 137.6 | 0 | 0 | 113.6 | ||||
| 605 | R | 42.2 | Very low | 38.3 | Very low | 214 Ų | 214 | 158.9 Ų | 158.9 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | -179.1 | 115.3 | 118.3 | -96.7 | 168.3 | 175.4 | -162.2 | -0.1 | 114.2 | |||||
| 606 | K | 41.3 | Very low | 38.4 | Very low | 182 Ų | 182 | 162.8 Ų | 162.8 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | 76.4 | 111.9 | 132 | -62.8 | -179.9 | 178.8 | -170.8 | 0 | 121.6 | ||||
| 607 | F | 35.4 | Very low | 38.5 | Very low | 205 Ų | 205 | 159.4 Ų | 159.4 | 90% | 0.899 | 80% | 0.795 | S | S | * | * | trans | -79.1 | 161.9 | 151.7 | -83.1 | -91 | 0 | 0 | 0 | 112.3 | ||||
| 608 | P | 44.8 | Very low | 38.5 | Very low | 126 Ų | 126 | 161.7 Ų | 161.7 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -123.8 | 146.5 | 137.3 | 32.9 | -20 | 0 | 0 | 0 | 113.8 | ||||
| 609 | K | 38.4 | Very low | 38.6 | Very low | 208 Ų | 208 | 161.8 Ų | 161.8 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | trans | -85.8 | 149 | 178.3 | -71.7 | 167.5 | 170.3 | 170.7 | 0 | 112.3 | ||||
| 610 | A | 39.6 | Very low | 38.5 | Very low | 102 Ų | 102 | 158.8 Ų | 158.8 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -161.6 | 102.7 | 143.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 611 | R | 36.4 | Very low | 38.4 | Very low | 204 Ų | 204 | 158.3 Ų | 158.3 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | 64.5 | 76.1 | 63.1 | -152.2 | -178.1 | -163.3 | 177.9 | 6.5 | 114.3 | |||||
| 612 | A | 36.5 | Very low | 38.4 | Very low | 105 Ų | 105 | 158 Ų | 158 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | trans | -80.6 | 131.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 613 | K | 42.4 | Very low | 38.4 | Very low | 163 Ų | 163 | 158.1 Ų | 158.1 | 71% | 0.709 | 79% | 0.788 | S | S | * | * | trans | -119.7 | 129.1 | 172.3 | -90 | -169.3 | 175.3 | -175.6 | 0 | 110.2 | ||||
| 614 | L | 32.6 | Very low | 38.4 | Very low | 163 Ų | 163 | 155 Ų | 155 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | -42.3 | 144 | 159.5 | -154.3 | 89.5 | 0 | 0 | 0 | 115.7 | ||||
| 615 | K | 37.8 | Very low | 38.3 | Very low | 169 Ų | 169 | 156.4 Ų | 156.4 | 74% | 0.735 | 78% | 0.775 | S | S | * | * | trans | 166.1 | 122 | 131 | -95.5 | -178.3 | 174.3 | -167.6 | 0 | 111.3 | ||||
| 616 | Q | 35.9 | Very low | 38.2 | Very low | 165 Ų | 165 | 157.1 Ų | 157.1 | 77% | 0.771 | 78% | 0.777 | S | S | * | * | 63.1 | 134 | 103.1 | -83 | 178.7 | -33.7 | 0 | 0 | 113.1 | |||||
| 617 | S | 37.1 | Very low | 37.9 | Very low | 89 Ų | 89 | 154 Ų | 154 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | cis | 175.6 | 160.2 | 16.8 | 32.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 618 | Q | 37.2 | Very low | 37.9 | Very low | 158 Ų | 158 | 149.9 Ų | 149.9 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | 65.8 | 148.3 | 153.6 | -73.2 | 171.3 | -52.1 | 0 | 0 | 117.3 | ||||
| 619 | E | 38.4 | Very low | 37.4 | Very low | 141 Ų | 141 | 152.9 Ų | 152.9 | 66% | 0.659 | 77% | 0.771 | S | S | * | * | cis | -169.8 | 136.6 | 12.2 | -124.6 | 160.3 | -161.4 | 0 | 0 | 110 | ||||
| 620 | T | 35.4 | Very low | 37.2 | Very low | 114 Ų | 114 | 151.4 Ų | 151.4 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | 61 | 144 | 136.5 | 60.4 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 621 | K | 37.7 | Very low | 36.9 | Very low | 200 Ų | 200 | 155.5 Ų | 155.5 | 87% | 0.87 | 77% | 0.769 | S | S | * | * | trans | 88.9 | 136.3 | 155.4 | -53.5 | -165.8 | -178.6 | 177.9 | 0 | 116 | ||||
| 622 | A | 38.5 | Very low | 37.2 | Very low | 80 Ų | 80 | 152 Ų | 152 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | cis | -172.4 | 154.8 | -7.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 623 | D | 38.3 | Very low | 37.1 | Very low | 156 Ų | 156 | 156.7 Ų | 156.7 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | trans | 49.1 | 135.6 | 154.5 | -66.4 | -44.1 | 0 | 0 | 0 | 118.8 | ||||
| 624 | E | 41.1 | Very low | 37 | Very low | 144 Ų | 144 | 158.9 Ų | 158.9 | 67% | 0.673 | 77% | 0.772 | S | S | * | * | -173.6 | 133.2 | 52.9 | -153.3 | -176.4 | 149.4 | 0 | 0 | 110.1 | |||||
| 625 | R | 38.3 | Very low | 37.4 | Very low | 196 Ų | 196 | 160.5 Ų | 160.5 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | trans | 54.3 | 115.6 | 142.5 | -70.8 | 175.4 | -176.5 | 167 | -10.8 | 123.8 | ||||
| 626 | R | 39.3 | Very low | 37.2 | Very low | 229 Ų | 229 | 158.3 Ų | 158.3 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | 91.9 | 145.9 | 121.9 | -81.3 | -169.8 | -176.6 | 176.5 | 1.6 | 121.1 | |||||
| 627 | P | 34.9 | Very low | 37.1 | Very low | 117 Ų | 117 | 156.7 Ų | 156.7 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -107.5 | 152.8 | -163.8 | 39.8 | -26.6 | 0 | 0 | 0 | 113.6 | ||||
| 628 | T | 36 | Very low | 37.1 | Very low | 119 Ų | 119 | 158.5 Ų | 158.5 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | trans | -157.9 | 108.4 | 175.3 | -0.7 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 629 | E | 34.7 | Very low | 37.2 | Very low | 189 Ų | 189 | 158.8 Ų | 158.8 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | 33.5 | 69.5 | 57.7 | -90.3 | -169 | 165.4 | 0 | 0 | 111.9 | |||||
| 630 | Q | 32.9 | Very low | 37.5 | Very low | 177 Ų | 177 | 159.6 Ų | 159.6 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | 163.8 | 88.5 | 152.4 | -93.1 | 167.4 | 17.7 | 0 | 0 | 109.9 | ||||
| 631 | Q | 33.9 | Very low | 37.6 | Very low | 188 Ų | 188 | 160.2 Ų | 160.2 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | 178.8 | 114 | 160.4 | -105.8 | 173.7 | -0.5 | 0 | 0 | 104.2 | ||||
| 632 | L | 41.5 | Very low | 38.3 | Very low | 131 Ų | 131 | 159.3 Ų | 159.3 | 69% | 0.686 | 80% | 0.797 | S | S | * | * | cis | -164 | 91 | 25.5 | -166.6 | 76.8 | 0 | 0 | 0 | 107.7 | R634 | L632-R634 VanDerWaalsContact C-N 3.28Å; L632-R634 HydrophobicContact CD1-CB 4.4Å; L632-R634 HydrophobicContact CG-CB 3.96Å; L632-R634 PolarHBondContact O-N 2.75Å | ||
| 633 | E | 35.1 | Very low | 38.6 | Very low | 203 Ų | 203 | 163 Ų | 163 | 95% | 0.949 | 81% | 0.806 | S | S | * | * | trans | -63.6 | 92.1 | 153 | -72.1 | 176.3 | 148.2 | 0 | 0 | 106.9 | ||||
| 634 | R | 41.4 | Very low | 38.5 | Very low | 209 Ų | 209 | 165.7 Ų | 165.7 | 79% | 0.789 | 81% | 0.81 | S | S | * | * | trans | -168.8 | 47.9 | 174.4 | -120.1 | 175.4 | -167.2 | 175.8 | 3.7 | 114.4 | L632 | L632-R634 VanDerWaalsContact C-N 3.28Å; L632-R634 HydrophobicContact CD1-CB 4.4Å; L632-R634 HydrophobicContact CG-CB 3.96Å; L632-R634 PolarHBondContact O-N 2.75Å | ||
| 635 | E | 39.1 | Very low | 38.4 | Very low | 197 Ų | 197 | 164.3 Ų | 164.3 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -136.7 | 58.8 | 163.6 | -84.9 | -174.9 | 174.5 | 0 | 0 | 110.6 | ||||
| 636 | T | 34.4 | Very low | 38.8 | Very low | 123 Ų | 123 | 160.1 Ų | 160.1 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | trans | -140.7 | 140.1 | 158.3 | 48.5 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 637 | T | 34.3 | Very low | 38.7 | Very low | 131 Ų | 131 | 157.2 Ų | 157.2 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | 87.5 | 83.7 | 172.8 | 80.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 638 | T | 37.4 | Very low | 39.2 | Very low | 127 Ų | 127 | 157.2 Ų | 157.2 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | trans | -153.7 | 90.3 | 131.6 | 15.1 | 0 | 0 | 0 | 0 | 108 | E640 | T638-E640 PolarHBondContact O-N 3.45Š| ||
| 639 | I | 39.6 | Very low | 39.9 | Very low | 164 Ų | 164 | 157.9 Ų | 157.9 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | -80.5 | 94.2 | 159.1 | -66.4 | 168.7 | 0 | 0 | 0 | 104.1 | ||||
| 640 | E | 44.2 | Very low | 40.4 | Very low | 158 Ų | 158 | 157.5 Ų | 157.5 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | trans | -84.9 | 107.3 | 163.3 | -73.2 | -175.3 | 158.3 | 0 | 0 | 107 | T638 E642 | T638-E640 PolarHBondContact O-N 3.45Å; E640-E642 PolarHBondContact O-N 2.59Å | ||
| 641 | T | 37.9 | Very low | 41.7 | Very low | 127 Ų | 127 | 155 Ų | 155 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | trans | -63.6 | 102.5 | 160.5 | 41.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 642 | E | 51.5 | Low | 42.4 | Very low | 180 Ų | 180 | 152.9 Ų | 152.9 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | -109.5 | 142 | 160.6 | -74.2 | -160.6 | 154.5 | 0 | 0 | 110.1 | E640 | E640-E642 PolarHBondContact O-N 2.59Š| ||
| 643 | D | 45.5 | Very low | 42.6 | Very low | 159 Ų | 159 | 152 Ų | 152 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -73.2 | 155.2 | -155.8 | -73.4 | -58 | 0 | 0 | 0 | 114.5 | ||||
| 644 | F | 34.8 | Very low | 43.5 | Very low | 211 Ų | 211 | 150.9 Ų | 150.9 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -48.5 | 147.1 | 164.6 | -81 | -104.8 | 0 | 0 | 0 | 112.7 | ||||
| 645 | S | 39.7 | Very low | 43.9 | Very low | 116 Ų | 116 | 148.3 Ų | 148.3 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | 122.1 | 84 | 140.7 | -165.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 646 | S | 47.8 | Very low | 44.6 | Very low | 107 Ų | 107 | 147 Ų | 147 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -164.4 | 100.2 | 139.2 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 647 | Q | 36.3 | Very low | 45 | Very low | 169 Ų | 169 | 148.3 Ų | 148.3 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | 24.3 | 102.7 | 130.9 | -158.1 | 170 | 8.3 | 0 | 0 | 117.4 | D649 | Q647-D649 PolarHBondContact NE2-OD2 3.34Š| ||
| 648 | V | 45.2 | Very low | 45.7 | Very low | 117 Ų | 117 | 151.4 Ų | 151.4 | 71% | 0.709 | 81% | 0.805 | S | S | * | * | trans | -122.2 | 97 | 157 | -178.8 | 0 | 0 | 0 | 0 | 107.1 | F650 | V648-F650 HydrophobicContact CG1-CD2 4.49Å; V648-F650 HydrophobicContact CG1-CE2 4.19Å | ||
| 649 | D | 49.9 | Very low | 45.8 | Very low | 133 Ų | 133 | 154 Ų | 154 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 121.5 | 170.1 | -80.5 | -49.9 | 0 | 0 | 0 | 109.6 | Q647 | Q647-D649 PolarHBondContact NE2-OD2 3.34Š|
| 650 | F | 46.8 | Very low | 45.8 | Very low | 180 Ų | 180 | 150.9 Ų | 150.9 | 79% | 0.789 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 133.9 | 164.8 | -81.9 | -91.4 | 0 | 0 | 0 | 108.6 | V648 D652 | V648-F650 HydrophobicContact CG1-CD2 4.49Å; V648-F650 HydrophobicContact CG1-CE2 4.19Å; F650-D652 PolarHBondContact O-N 3.03Å |
| 651 | P | 58.5 | Low | 45.7 | Very low | 124 Ų | 124 | 151.4 Ų | 151.4 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 125.9 | -178.8 | 29.2 | -31.3 | 0 | 0 | 0 | 110.9 | ||
| 652 | D | 49.7 | Very low | 45.7 | Very low | 144 Ų | 144 | 151.2 Ų | 151.2 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -75 | 135.2 | 173.1 | -141.6 | -3.6 | 0 | 0 | 0 | 109.6 | F650 E654 | F650-D652 PolarHBondContact O-N 3.03Å; D652-E654 PolarHBondContact O-N 3.09Å |
| 653 | P | 45.5 | Very low | 45.2 | Very low | 113 Ų | 113 | 147.9 Ų | 147.9 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -83.3 | 92.5 | 175.8 | 31.8 | -27.6 | 0 | 0 | 0 | 109.3 | L655 | P653-L655 PolarHBondContact O-N 2.84Š| ||
| 654 | E | 53.8 | Low | 45.1 | Very low | 180 Ų | 180 | 148.2 Ų | 148.2 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | trans | -69.8 | 129.4 | 169.9 | -77.8 | -171.3 | 148.2 | 0 | 0 | 111.3 | D652 | D652-E654 PolarHBondContact O-N 3.09Š| ||
| 655 | L | 49.8 | Very low | 45.6 | Very low | 154 Ų | 154 | 146.8 Ų | 146.8 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | trans | -66.3 | 127.1 | 168.6 | -73 | 135.3 | 0 | 0 | 0 | 110.1 | P653 | P653-L655 PolarHBondContact O-N 2.84Š| ||
| 656 | D | 54.1 | Low | 45.6 | Very low | 171 Ų | 171 | 144.9 Ų | 144.9 | 91% | 0.914 | 79% | 0.787 | S | S | * | * | trans | -113.7 | 96.4 | 161.7 | -92.4 | -37 | 0 | 0 | 0 | 109.3 | ||||
| 657 | D | 43.6 | Very low | 45.3 | Very low | 149 Ų | 149 | 151.7 Ų | 151.7 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -118.8 | 91.8 | 162.2 | -99.2 | -43 | 0 | 0 | 0 | 107 | ||||
| 658 | E | 47.6 | Very low | 45.7 | Very low | 196 Ų | 196 | 150.2 Ų | 150.2 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | trans | -150.4 | 104.9 | 155.5 | -76.6 | -155.2 | 120.7 | 0 | 0 | 111.8 | ||||
| 659 | Q | 40.1 | Very low | 45.8 | Very low | 181 Ų | 181 | 150.3 Ų | 150.3 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -67.5 | 163.4 | 147.7 | -122.1 | -172 | -22.4 | 0 | 0 | 108.4 | ||||
| 660 | P | 40.5 | Very low | 46.1 | Very low | 99 Ų | 99 | 150.5 Ų | 150.5 | 64% | 0.643 | 81% | 0.808 | S | S | * | * | cis | -153.1 | -171.4 | 27.9 | 41.8 | -17.9 | 0 | 0 | 0 | 117.7 | ||||
| 661 | Q | 41.1 | Very low | 46.3 | Very low | 169 Ų | 169 | 154.5 Ų | 154.5 | 79% | 0.79 | 83% | 0.829 | S | S | * | * | trans | 86.9 | 98.3 | 153.6 | -69.8 | 180 | 10.8 | 0 | 0 | 121.3 | ||||
| 662 | T | 37.5 | Very low | 45.7 | Very low | 124 Ų | 124 | 156 Ų | 156 | 76% | 0.761 | 83% | 0.831 | S | S | * | * | 27.4 | 120.7 | 123.9 | 52.8 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 663 | S | 41 | Very low | 45.5 | Very low | 110 Ų | 110 | 156.6 Ų | 156.6 | 77% | 0.769 | 83% | 0.834 | S | S | * | * | 172.5 | 125 | 101.4 | 55.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 664 | E | 44.2 | Very low | 45.5 | Very low | 165 Ų | 165 | 159.1 Ų | 159.1 | 77% | 0.771 | 84% | 0.839 | S | S | * | * | trans | 59.3 | 113.5 | 137.5 | -64.4 | -169.4 | 147.4 | 0 | 0 | 123.2 | ||||
| 665 | H | 45 | Very low | 45 | Very low | 182 Ų | 182 | 157.8 Ų | 157.8 | 84% | 0.843 | 84% | 0.839 | S | S | * | * | 80.1 | 121.1 | 120.6 | -75 | 4.2 | 0 | 0 | 0 | 120.6 | |||||
| 666 | G | 38.8 | Very low | 44.7 | Very low | 75 Ų | 75 | 158.1 Ų | 158.1 | 77% | 0.773 | 84% | 0.841 | S | S | * | * | trans | 148.7 | 76.3 | 142.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 667 | R | 41.8 | Very low | 44.1 | Very low | 250 Ų | 250 | 157.2 Ų | 157.2 | 94% | 0.943 | 84% | 0.836 | S | S | * | * | trans | -153.9 | 121 | 154.2 | -99 | -169.5 | -171.8 | -177.8 | 2.6 | 112.4 | ||||
| 668 | T | 45.1 | Very low | 44.1 | Very low | 138 Ų | 138 | 157.8 Ų | 157.8 | 85% | 0.847 | 84% | 0.839 | S | S | * | * | trans | -162 | 159.6 | 141.9 | 35.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 669 | P | 46.7 | Very low | 43.9 | Very low | 119 Ų | 119 | 154.8 Ų | 154.8 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | cis | -133.7 | 172.1 | -17.9 | 28.1 | -6.6 | 0 | 0 | 0 | 112.3 | ||||
| 670 | T | 57.3 | Low | 44.2 | Very low | 137 Ų | 137 | 152.7 Ų | 152.7 | 84% | 0.84 | 83% | 0.832 | S | S | * | * | trans | -109.5 | 149.6 | 159.5 | -27.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 671 | E | 51.4 | Low | 44.5 | Very low | 264 Ų | 264 | 157.5 Ų | 157.5 | 100% | 1.234 | 85% | 0.849 | S | S | * | * | trans | -42.5 | 0 | 173.5 | -69.5 | 173.7 | 132.9 | 0 | 0 | 115.7 |
Retrieved 671 of 671 residues in 180.4 ms
(Link to these results)