| 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 | 55.3 | Low | 78 | Confident | 182 Ų | 182 | 86.3 Ų | 86.3 | 90% | 0.897 | 53% | 0.529 | S | S | * | . | 0 | 122.2 | 0 | -76.9 | 169.3 | 59.8 | 0 | 0 | 108.1 | L6 | M1-L6 HydrophobicContact CE-CD2 4.12Å; M1-L6 HydrophobicContact CE-CG 4.47Å | |||
| 2 | G | 75.9 | Confident | 78.6 | Confident | 47 Ų | 47 | 86.1 Ų | 86.1 | 49% | 0.485 | 53% | 0.532 | S | S | . | . | trans | -64.4 | 147.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P4 A5 L6 | G2-P4 WeakPolarHBondContact O-CD 3.4Å; G2-A5 WeakPolarHBondContact O-CB 3.47Å; G2-A5 PolarHBondContact O-N 2.83Å; G2-L6 PolarHBondContact O-N 3.49Å | ||
| 3 | L | 75.3 | Confident | 79.3 | Confident | 130 Ų | 130 | 85.3 Ų | 85.3 | 68% | 0.681 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -41.3 | -38 | 172.9 | -161.4 | 77 | 0 | 0 | 0 | 114.1 | A5 L6 L7 | L3-A5 PolarHBondContact O-N 2.86Å; L3-L6 PolarHBondContact O-N 3.12Å; L3-L7 HydrophobicContact CG-CD1 4.2Å; L3-L7 WeakPolarHBondContact O-CB 3.23Å; L3-L7 WeakPolarHBondContact O-CG 3.03Å; L3-L7 PolarHBondContact O-N 3.48Å |
| 4 | P | 80.8 | Confident | 80 | Confident | 98 Ų | 98 | 89.9 Ų | 89.9 | 64% | 0.636 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.1 | -35.3 | 177.4 | -20.1 | 33 | 0 | 0 | 0 | 114 | G2 L7 A8 | G2-P4 WeakPolarHBondContact O-CD 3.4Å; P4-L7 PolarHBondContact O-N 3.49Å; P4-A8 VanDerWaalsContact O-CB 3.29Å; P4-A8 WeakPolarHBondContact O-CB 3.31Å; P4-A8 PolarHBondContact O-N 2.69Å |
| 5 | A | 79.5 | Confident | 80.7 | Confident | 50 Ų | 50 | 88.2 Ų | 88.2 | 41% | 0.413 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -72.9 | -36.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G2 L3 S9 | G2-A5 WeakPolarHBondContact O-CB 3.47Å; G2-A5 PolarHBondContact O-N 2.83Å; L3-A5 PolarHBondContact O-N 2.86Å; A5-S9 VanDerWaalsContact O-CB 3.26Å; A5-S9 WeakPolarHBondContact O-CB 3.45Å; A5-S9 PolarHBondContact O-N 2.83Å |
| 6 | L | 78.9 | Confident | 81.4 | Confident | 94 Ų | 94 | 88.3 Ų | 88.3 | 49% | 0.492 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.3 | -40.7 | 172.9 | -74.7 | 164.6 | 0 | 0 | 0 | 111.6 | M1 G2 L3 S9 A10 | M1-L6 HydrophobicContact CE-CD2 4.12Å; M1-L6 HydrophobicContact CE-CG 4.47Å; G2-L6 PolarHBondContact O-N 3.49Å; L3-L6 PolarHBondContact O-N 3.12Å; L6-S9 PolarHBondContact O-N 3.1Å; L6-A10 WeakPolarHBondContact O-CB 3.36Å; L6-A10 PolarHBondContact O-N 2.94Å |
| 7 | L | 79.7 | Confident | 82.1 | Confident | 98 Ų | 98 | 86.9 Ų | 86.9 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.7 | -45.9 | 174.9 | -78.5 | 164.2 | 0 | 0 | 0 | 112.2 | L3 P4 S9 A10 L11 | L3-L7 HydrophobicContact CG-CD1 4.2Å; L3-L7 WeakPolarHBondContact O-CB 3.23Å; L3-L7 WeakPolarHBondContact O-CG 3.03Å; L3-L7 PolarHBondContact O-N 3.48Å; P4-L7 PolarHBondContact O-N 3.49Å; L7-S9 VanDerWaalsContact C-N 3.32Å; L7-S9 PolarHBondContact O-N 3.23Å; L7-A10 PolarHBondContact O-N 3.35Å; L7-L11 WeakPolarHBondContact O-CB 3.4Å; L7-L11 WeakPolarHBondContact O-CD1 3.43Å; L7-L11 PolarHBondContact O-N 2.95Å |
| 8 | A | 82.8 | Confident | 82.6 | Confident | 51 Ų | 51 | 87.7 Ų | 87.7 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | P4 L11 C12 | P4-A8 VanDerWaalsContact O-CB 3.29Å; P4-A8 WeakPolarHBondContact O-CB 3.31Å; P4-A8 PolarHBondContact O-N 2.69Å; A8-L11 PolarHBondContact O-N 3.35Å; A8-C12 WeakPolarHBondContact O-CB 3.43Å; A8-C12 PolarHBondContact O-N 3.5Å; A8-C12 PolarHBondContact O-SG 3.35Å |
| 9 | S | 82.9 | Confident | 83.1 | Confident | 62 Ų | 62 | 88.4 Ų | 88.4 | 43% | 0.434 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.5 | -48.3 | 173.5 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | A5 L6 L7 L11 C12 T13 | A5-S9 VanDerWaalsContact O-CB 3.26Å; A5-S9 WeakPolarHBondContact O-CB 3.45Å; A5-S9 PolarHBondContact O-N 2.83Å; L6-S9 PolarHBondContact O-N 3.1Å; L7-S9 VanDerWaalsContact C-N 3.32Å; L7-S9 PolarHBondContact O-N 3.23Å; S9-L11 VanDerWaalsContact C-N 3.34Å; S9-L11 PolarHBondContact O-N 3.26Å; S9-C12 PolarHBondContact O-N 3.32Å; S9-T13 VanDerWaalsContact O-CB 3.23Å; S9-T13 WeakPolarHBondContact O-CB 3.44Å; S9-T13 PolarHBondContact O-N 3.17Å; S9-T13 PolarHBondContact O-OG1 3.27Å |
| 10 | A | 82.3 | Confident | 83.5 | Confident | 43 Ų | 43 | 89.3 Ų | 89.3 | 36% | 0.355 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L6 L7 F14 | L6-A10 WeakPolarHBondContact O-CB 3.36Å; L6-A10 PolarHBondContact O-N 2.94Å; L7-A10 PolarHBondContact O-N 3.35Å; A10-F14 WeakPolarHBondContact O-CB 3.2Å; A10-F14 PolarHBondContact O-N 3.45Å |
| 11 | L | 84.5 | Confident | 83.7 | Confident | 94 Ų | 94 | 89.8 Ų | 89.8 | 49% | 0.492 | 52% | 0.516 | S | S | . | . | I | π-helix | trans | -61.7 | -48.8 | 175.1 | -87.6 | 154.7 | 0 | 0 | 0 | 111.7 | L7 A8 S9 V15 L16 | L7-L11 WeakPolarHBondContact O-CB 3.4Å; L7-L11 WeakPolarHBondContact O-CD1 3.43Å; L7-L11 PolarHBondContact O-N 2.95Å; A8-L11 PolarHBondContact O-N 3.35Å; S9-L11 VanDerWaalsContact C-N 3.34Å; S9-L11 PolarHBondContact O-N 3.26Å; L11-V15 HydrophobicContact CD2-CB 4.05Å; L11-V15 HydrophobicContact CD2-CG1 4.14Å; L11-V15 HydrophobicContact CD2-CG2 4.09Å; L11-V15 WeakPolarHBondContact O-CB 3.22Å; L11-V15 PolarHBondContact O-N 3.17Å; L11-V15 VanDerWaalsContact O-N 3.16Å; L11-L16 PolarHBondContact O-N 3.09Å |
| 12 | C | 85.4 | Confident | 85.4 | Confident | 84 Ų | 84 | 85.5 Ų | 85.5 | 57% | 0.568 | 50% | 0.496 | S | S | * | . | I | π-helix | trans | -73 | -32.8 | -179.2 | -70.8 | 0 | 0 | 0 | 0 | 113.1 | A8 S9 P17 | A8-C12 WeakPolarHBondContact O-CB 3.43Å; A8-C12 PolarHBondContact O-N 3.5Å; A8-C12 PolarHBondContact O-SG 3.35Å; S9-C12 PolarHBondContact O-N 3.32Å; C12-P17 WeakPolarHBondContact O-CD 3.44Å |
| 13 | T | 87.4 | Confident | 86.1 | Confident | 76 Ų | 76 | 85.5 Ų | 85.5 | 47% | 0.466 | 49% | 0.492 | S | S | . | . | I | π-helix | trans | -85.4 | -32.3 | -175.7 | -51.7 | 0 | 0 | 0 | 0 | 113 | S9 P17 | S9-T13 VanDerWaalsContact O-CB 3.23Å; S9-T13 WeakPolarHBondContact O-CB 3.44Å; S9-T13 PolarHBondContact O-N 3.17Å; S9-T13 PolarHBondContact O-OG1 3.27Å; T13-P17 WeakPolarHBondContact O-CG 3.42Å |
| 14 | F | 89.9 | Confident | 86.7 | Confident | 150 Ų | 150 | 81.4 Ų | 81.4 | 66% | 0.658 | 48% | 0.477 | S | S | * | . | I | π-helix | trans | -119.5 | -46.3 | -174.7 | -59.3 | -72.7 | 0 | 0 | 0 | 113.6 | A10 L18 | A10-F14 WeakPolarHBondContact O-CB 3.2Å; A10-F14 PolarHBondContact O-N 3.45Å; F14-L18 VanDerWaalsContact O-CB 3.29Å; F14-L18 WeakPolarHBondContact O-CB 3.33Å; F14-L18 PolarHBondContact O-N 3.17Å |
| 15 | V | 90.6 | Very high | 87 | Confident | 64 Ų | 64 | 78.5 Ų | 78.5 | 39% | 0.388 | 46% | 0.457 | S | S | . | . | I | π-helix | trans | -73.9 | -48.3 | -173.2 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | L11 L18 L19 | L11-V15 HydrophobicContact CD2-CB 4.05Å; L11-V15 HydrophobicContact CD2-CG1 4.14Å; L11-V15 HydrophobicContact CD2-CG2 4.09Å; L11-V15 WeakPolarHBondContact O-CB 3.22Å; L11-V15 PolarHBondContact O-N 3.17Å; L11-V15 VanDerWaalsContact O-N 3.16Å; V15-L18 PolarHBondContact O-N 2.92Å; V15-L19 HydrophobicContact CG1-CD1 3.97Å; V15-L19 HydrophobicContact CG1-CG 4.33Å; V15-L19 WeakPolarHBondContact O-CG 3.5Å; V15-L19 PolarHBondContact O-N 3.43Å |
| 16 | L | 91.9 | Very high | 87.4 | Confident | 90 Ų | 90 | 82.1 Ų | 82.1 | 47% | 0.471 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.8 | -46.9 | -178.9 | -179 | 67.8 | 0 | 0 | 0 | 112.3 | L11 L18 L19 L20 | L11-L16 PolarHBondContact O-N 3.09Å; L16-L18 VanDerWaalsContact C-N 3.32Å; L16-L18 PolarHBondContact O-N 3.28Å; L16-L19 PolarHBondContact O-N 2.84Å; L16-L20 HydrophobicContact CD1-CD1 4.4Å; L16-L20 HydrophobicContact CD1-CG 4.31Å; L16-L20 HydrophobicContact CG-CD1 4.13Å; L16-L20 HydrophobicContact CG-CG 4.46Å; L16-L20 WeakPolarHBondContact O-CB 3.45Å; L16-L20 WeakPolarHBondContact O-CG 3.28Å; L16-L20 PolarHBondContact O-N 3.38Å |
| 17 | P | 91.9 | Very high | 87.9 | Confident | 64 Ų | 64 | 83.2 Ų | 83.2 | 42% | 0.416 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62 | -37.8 | 175.5 | -26.6 | 38.2 | 0 | 0 | 0 | 113.1 | C12 T13 L20 F21 | C12-P17 WeakPolarHBondContact O-CD 3.44Å; T13-P17 WeakPolarHBondContact O-CG 3.42Å; P17-L20 PolarHBondContact O-N 3.25Å; P17-F21 VanDerWaalsContact O-CB 3.26Å; P17-F21 WeakPolarHBondContact O-CB 3.11Å; P17-F21 PolarHBondContact O-N 3.13Å |
| 18 | L | 91.4 | Very high | 88.2 | Confident | 102 Ų | 102 | 79.8 Ų | 79.8 | 53% | 0.534 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64 | -45.9 | 175.5 | -179.5 | 63.7 | 0 | 0 | 0 | 111.4 | F14 V15 L16 F21 L22 | F14-L18 VanDerWaalsContact O-CB 3.29Å; F14-L18 WeakPolarHBondContact O-CB 3.33Å; F14-L18 PolarHBondContact O-N 3.17Å; V15-L18 PolarHBondContact O-N 2.92Å; L16-L18 VanDerWaalsContact C-N 3.32Å; L16-L18 PolarHBondContact O-N 3.28Å; L18-F21 PolarHBondContact O-N 3.23Å; L18-L22 HydrophobicContact CD1-CD1 4.43Å; L18-L22 HydrophobicContact CD1-CG 4.41Å; L18-L22 HydrophobicContact CG-CD1 4.2Å; L18-L22 WeakPolarHBondContact O-CB 3.4Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.36Å; L18-L22 PolarHBondContact O-N 3.23Å |
| 19 | L | 92 | Very high | 88.3 | Confident | 101 Ų | 101 | 81.8 Ų | 81.8 | 53% | 0.529 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 176.9 | -72.6 | 175.6 | 0 | 0 | 0 | 112 | V15 L16 F21 L22 A23 | V15-L19 HydrophobicContact CG1-CD1 3.97Å; V15-L19 HydrophobicContact CG1-CG 4.33Å; V15-L19 WeakPolarHBondContact O-CG 3.5Å; V15-L19 PolarHBondContact O-N 3.43Å; L16-L19 PolarHBondContact O-N 2.84Å; L19-F21 VanDerWaalsContact C-N 3.32Å; L19-F21 PolarHBondContact O-N 2.88Å; L19-L22 PolarHBondContact O-N 3.44Å; L19-A23 WeakPolarHBondContact O-CB 3.22Å; L19-A23 PolarHBondContact O-N 3.25Å |
| 20 | L | 90.8 | Very high | 88.5 | Confident | 106 Ų | 106 | 83.2 Ų | 83.2 | 56% | 0.555 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.5 | -40.3 | 175.2 | -71.6 | 174.8 | 0 | 0 | 0 | 111.5 | L16 P17 A23 A24 | L16-L20 HydrophobicContact CD1-CD1 4.4Å; L16-L20 HydrophobicContact CD1-CG 4.31Å; L16-L20 HydrophobicContact CG-CD1 4.13Å; L16-L20 HydrophobicContact CG-CG 4.46Å; L16-L20 WeakPolarHBondContact O-CB 3.45Å; L16-L20 WeakPolarHBondContact O-CG 3.28Å; L16-L20 PolarHBondContact O-N 3.38Å; P17-L20 PolarHBondContact O-N 3.25Å; L20-A23 PolarHBondContact O-N 2.99Å; L20-A24 VanDerWaalsContact O-CB 3.25Å; L20-A24 WeakPolarHBondContact O-CB 3.45Å; L20-A24 PolarHBondContact O-N 2.86Å |
| 21 | F | 88.9 | Confident | 88.8 | Confident | 99 Ų | 99 | 88.9 Ų | 88.9 | 43% | 0.434 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | 175.2 | 178.8 | -100.6 | 0 | 0 | 0 | 112.2 | P17 L18 L19 A24 T25 F51 | P17-F21 VanDerWaalsContact O-CB 3.26Å; P17-F21 WeakPolarHBondContact O-CB 3.11Å; P17-F21 PolarHBondContact O-N 3.13Å; L18-F21 PolarHBondContact O-N 3.23Å; L19-F21 VanDerWaalsContact C-N 3.32Å; L19-F21 PolarHBondContact O-N 2.88Å; F21-A24 PolarHBondContact O-N 3.38Å; F21-T25 HydrophobicContact CD1-CG2 4.28Å; F21-T25 HydrophobicContact CD2-CG2 4.46Å; F21-T25 HydrophobicContact CE1-CG2 3.86Å; F21-T25 HydrophobicContact CE2-CG2 4.07Å; F21-T25 HydrophobicContact CZ-CG2 3.74Å; F21-T25 WeakPolarHBondContact O-CB 3.43Å; F21-T25 VanDerWaalsContact O-CG2 3.25Å; F21-T25 WeakPolarHBondContact O-CG2 3.31Å; F21-T25 PolarHBondContact O-N 3.05Å; F21-T25 PolarHBondContact O-OG1 3.45Å; F21-F51 HydrophobicContact CE2-CD1 4.39Å; F21-F51 AromaticContact CZ-CD1 3.89Å; F21-F51 HydrophobicContact CZ-CD1 3.89Å; F21-F51 AromaticContact CZ-CE1 3.86Å; F21-F51 HydrophobicContact CZ-CE1 3.86Å |
| 22 | L | 90.3 | Very high | 88.7 | Confident | 92 Ų | 92 | 84.5 Ų | 84.5 | 48% | 0.482 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 175.3 | -69.4 | 174.9 | 0 | 0 | 0 | 112 | L18 L19 T25 K26 | L18-L22 HydrophobicContact CD1-CD1 4.43Å; L18-L22 HydrophobicContact CD1-CG 4.41Å; L18-L22 HydrophobicContact CG-CD1 4.2Å; L18-L22 WeakPolarHBondContact O-CB 3.4Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.36Å; L18-L22 PolarHBondContact O-N 3.23Å; L19-L22 PolarHBondContact O-N 3.44Å; L22-T25 VanDerWaalsContact CA-OG1 3.31Å; L22-T25 WeakPolarHBondContact CA-OG1 3.25Å; L22-T25 PolarHBondContact O-OG1 3.05Å; L22-K26 WeakPolarHBondContact O-CB 3.46Å; L22-K26 PolarHBondContact O-N 3.15Å |
| 23 | A | 90.7 | Very high | 88.5 | Confident | 47 Ų | 47 | 82 Ų | 82 | 39% | 0.388 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.7 | -46.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L19 L20 T25 K26 L27 | L19-A23 WeakPolarHBondContact O-CB 3.22Å; L19-A23 PolarHBondContact O-N 3.25Å; L20-A23 PolarHBondContact O-N 2.99Å; A23-T25 PolarHBondContact O-N 2.73Å; A23-K26 PolarHBondContact O-N 2.99Å; A23-L27 WeakPolarHBondContact O-CB 3.26Å; A23-L27 WeakPolarHBondContact O-CG 3.41Å; A23-L27 PolarHBondContact O-N 3.01Å |
| 24 | A | 88.4 | Confident | 88.5 | Confident | 45 Ų | 45 | 81.7 Ų | 81.7 | 37% | 0.372 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | L20 F21 W28 | L20-A24 VanDerWaalsContact O-CB 3.25Å; L20-A24 WeakPolarHBondContact O-CB 3.45Å; L20-A24 PolarHBondContact O-N 2.86Å; F21-A24 PolarHBondContact O-N 3.38Å; A24-W28 WeakPolarHBondContact O-CB 3.22Å; A24-W28 PolarHBondContact O-N 3Å |
| 25 | T | 86.4 | Confident | 88.2 | Confident | 36 Ų | 36 | 76.9 Ų | 76.9 | 22% | 0.221 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 175.3 | 52.6 | 0 | 0 | 0 | 0 | 112 | F21 L22 A23 Y29 P52 | F21-T25 HydrophobicContact CD1-CG2 4.28Å; F21-T25 HydrophobicContact CD2-CG2 4.46Å; F21-T25 HydrophobicContact CE1-CG2 3.86Å; F21-T25 HydrophobicContact CE2-CG2 4.07Å; F21-T25 HydrophobicContact CZ-CG2 3.74Å; F21-T25 WeakPolarHBondContact O-CB 3.43Å; F21-T25 VanDerWaalsContact O-CG2 3.25Å; F21-T25 WeakPolarHBondContact O-CG2 3.31Å; F21-T25 PolarHBondContact O-N 3.05Å; F21-T25 PolarHBondContact O-OG1 3.45Å; L22-T25 VanDerWaalsContact CA-OG1 3.31Å; L22-T25 WeakPolarHBondContact CA-OG1 3.25Å; L22-T25 PolarHBondContact O-OG1 3.05Å; A23-T25 PolarHBondContact O-N 2.73Å; T25-Y29 WeakPolarHBondContact O-CB 3.45Å; T25-Y29 PolarHBondContact O-N 2.91Å; T25-P52 HydrophobicContact CG2-CG 3.98Å |
| 26 | K | 87.3 | Confident | 88.3 | Confident | 126 Ų | 126 | 78.1 Ų | 78.1 | 55% | 0.548 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.5 | -46.2 | 176.2 | -169.4 | 69.7 | 179.2 | -171.1 | 0 | 112.3 | L22 A23 W28 Y29 L30 | L22-K26 WeakPolarHBondContact O-CB 3.46Å; L22-K26 PolarHBondContact O-N 3.15Å; A23-K26 PolarHBondContact O-N 2.99Å; K26-W28 VanDerWaalsContact C-N 3.32Å; K26-W28 PolarHBondContact O-N 2.87Å; K26-Y29 WeakPolarHBondContact O-CB 3.39Å; K26-Y29 PolarHBondContact O-N 2.95Å; K26-L30 HydrophobicContact CG-CD1 4.42Å; K26-L30 VanDerWaalsContact O-CG 3.32Å; K26-L30 WeakPolarHBondContact O-CG 3.26Å; K26-L30 PolarHBondContact O-N 3.48Å |
| 27 | L | 89.6 | Confident | 88.3 | Confident | 117 Ų | 117 | 76 Ų | 76 | 61% | 0.613 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -61.9 | -41.7 | 176 | -73.2 | 173.6 | 0 | 0 | 0 | 111.2 | A23 L30 Y31 | A23-L27 WeakPolarHBondContact O-CB 3.26Å; A23-L27 WeakPolarHBondContact O-CG 3.41Å; A23-L27 PolarHBondContact O-N 3.01Å; L27-L30 PolarHBondContact O-N 3.45Å; L27-Y31 WeakPolarHBondContact O-CB 3.32Å; L27-Y31 PolarHBondContact O-N 3.44Å |
| 28 | W | 86.8 | Confident | 88.4 | Confident | 27 Ų | 27 | 83.7 Ų | 83.7 | 10% | 0.102 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -59.6 | -48.1 | 173.3 | 176.1 | -108 | 0 | 0 | 0 | 112.1 | A24 K26 L30 Y31 C32 M49 F51 P52 F53 H82 | A24-W28 WeakPolarHBondContact O-CB 3.22Å; A24-W28 PolarHBondContact O-N 3Å; K26-W28 VanDerWaalsContact C-N 3.32Å; K26-W28 PolarHBondContact O-N 2.87Å; W28-L30 VanDerWaalsContact C-N 3.31Å; W28-L30 PolarHBondContact O-N 2.88Å; W28-Y31 HydrophobicContact CE3-CD1 4.22Å; W28-Y31 HydrophobicContact CZ3-CD1 4.12Å; W28-Y31 HydrophobicContact CZ3-CE1 4.3Å; W28-Y31 PolarHBondContact O-N 2.91Å; W28-C32 VanDerWaalsContact CE2-SG 3.51Å; W28-C32 WeakPolarHBondContact O-CB 3.27Å; W28-C32 PolarHBondContact O-N 2.95Å; W28-C32 PolarHBondContact O-SG 2.95Å; W28-C32 VanDerWaalsContact O-SG 3.41Å; W28-M49 PolarHBondContact NE1-O 3.42Å; W28-F51 PolarHBondContact NE1-O 3.39Å; W28-P52 HydrophobicContact CB-CB 4.03Å; W28-P52 HydrophobicContact CB-CG 3.89Å; W28-P52 HydrophobicContact CD2-CB 4.15Å; W28-P52 HydrophobicContact CE3-CB 4.44Å; W28-P52 HydrophobicContact CG-CB 3.95Å; W28-P52 HydrophobicContact CG-CG 4.11Å; W28-F53 VanDerWaalsContact CH2-CA 3.44Å; W28-F53 HydrophobicContact CH2-CD1 4.44Å; W28-F53 VanDerWaalsContact CH2-N 3.31Å; W28-F53 AromaticContact CZ3-CD1 3.9Å; W28-F53 HydrophobicContact CZ3-CD1 3.9Å; W28-F53 HydrophobicContact CZ3-CE1 4.23Å; W28-F53 HydrophobicContact CZ3-CG 4.31Å; W28-H82 AromaticContact CH2-CE1 3.89Å; W28-H82 AromaticContact CH2-NE2 3.78Å; W28-H82 AromaticContact CZ2-CD2 3.82Å; W28-H82 AromaticContact CZ2-CE1 3.51Å; W28-H82 AromaticContact CZ2-ND1 3.93Å; W28-H82 AromaticContact CZ2-NE2 3.45Å; W28-H82 WeakPolarHBondContact CZ2-NE2 3.48Å |
| 29 | Y | 85.8 | Confident | 88.5 | Confident | 93 Ų | 93 | 84 Ų | 84 | 37% | 0.365 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58.2 | -45.1 | 175.5 | 175.6 | -95.3 | 0 | 0 | 0 | 111.4 | T25 K26 C32 V33 M49 | T25-Y29 WeakPolarHBondContact O-CB 3.45Å; T25-Y29 PolarHBondContact O-N 2.91Å; K26-Y29 WeakPolarHBondContact O-CB 3.39Å; K26-Y29 PolarHBondContact O-N 2.95Å; Y29-C32 PolarHBondContact O-N 2.99Å; Y29-V33 HydrophobicContact CD1-CG2 4.38Å; Y29-V33 HydrophobicContact CD2-CG2 4.23Å; Y29-V33 HydrophobicContact CE1-CG2 3.97Å; Y29-V33 HydrophobicContact CE2-CG2 3.8Å; Y29-V33 WeakPolarHBondContact O-CB 3.47Å; Y29-V33 VanDerWaalsContact O-CG2 3.31Å; Y29-V33 WeakPolarHBondContact O-CG2 3.23Å; Y29-V33 PolarHBondContact O-N 3.34Å; Y29-M49 HydrophobicContact CD2-CG 4.47Å |
| 30 | L | 87 | Confident | 88.5 | Confident | 92 Ų | 92 | 80.5 Ų | 80.5 | 48% | 0.482 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 177.5 | -70.9 | 173.1 | 0 | 0 | 0 | 112 | K26 L27 W28 V33 S34 | K26-L30 HydrophobicContact CG-CD1 4.42Å; K26-L30 VanDerWaalsContact O-CG 3.32Å; K26-L30 WeakPolarHBondContact O-CG 3.26Å; K26-L30 PolarHBondContact O-N 3.48Å; L27-L30 PolarHBondContact O-N 3.45Å; W28-L30 VanDerWaalsContact C-N 3.31Å; W28-L30 PolarHBondContact O-N 2.88Å; L30-V33 PolarHBondContact O-N 3.19Å; L30-S34 VanDerWaalsContact O-CB 3.26Å; L30-S34 WeakPolarHBondContact O-CB 3.46Å; L30-S34 PolarHBondContact O-N 3.19Å; L30-S34 PolarHBondContact O-OG 3.43Å |
| 31 | Y | 87 | Confident | 88.7 | Confident | 161 Ų | 161 | 80.1 Ų | 80.1 | 63% | 0.631 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.4 | -45.9 | 174.7 | 171.1 | -99.5 | 0 | 0 | 0 | 111.9 | L27 W28 V33 S34 | L27-Y31 WeakPolarHBondContact O-CB 3.32Å; L27-Y31 PolarHBondContact O-N 3.44Å; W28-Y31 HydrophobicContact CE3-CD1 4.22Å; W28-Y31 HydrophobicContact CZ3-CD1 4.12Å; W28-Y31 HydrophobicContact CZ3-CE1 4.3Å; W28-Y31 PolarHBondContact O-N 2.91Å; Y31-V33 VanDerWaalsContact C-N 3.35Å; Y31-V33 PolarHBondContact O-N 3.04Å; Y31-S34 PolarHBondContact O-N 3.47Å; Y31-S34 PolarHBondContact O-OG 3.04Å |
| 32 | C | 83.2 | Confident | 89.1 | Confident | 2 Ų | 2 | 77.7 Ų | 77.7 | 1% | 0.014 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.4 | -41 | 177.1 | -73.8 | 0 | 0 | 0 | 0 | 111.8 | W28 Y29 S35 M49 | W28-C32 VanDerWaalsContact CE2-SG 3.51Å; W28-C32 WeakPolarHBondContact O-CB 3.27Å; W28-C32 PolarHBondContact O-N 2.95Å; W28-C32 PolarHBondContact O-SG 2.95Å; W28-C32 VanDerWaalsContact O-SG 3.41Å; Y29-C32 PolarHBondContact O-N 2.99Å; C32-S35 PolarHBondContact O-OG 3.21Å; C32-M49 HydrophobicContact CB-CB 4.14Å; C32-M49 HydrophobicContact CB-CE 3.61Å; C32-M49 HydrophobicContact CB-CG 3.76Å |
| 33 | V | 82.2 | Confident | 89.3 | Confident | 33 Ų | 33 | 76.4 Ų | 76.4 | 20% | 0.2 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -80.3 | -22.1 | -178.8 | 174.8 | 0 | 0 | 0 | 0 | 112.6 | Y29 L30 Y31 S35 R36 L44 | Y29-V33 HydrophobicContact CD1-CG2 4.38Å; Y29-V33 HydrophobicContact CD2-CG2 4.23Å; Y29-V33 HydrophobicContact CE1-CG2 3.97Å; Y29-V33 HydrophobicContact CE2-CG2 3.8Å; Y29-V33 WeakPolarHBondContact O-CB 3.47Å; Y29-V33 VanDerWaalsContact O-CG2 3.31Å; Y29-V33 WeakPolarHBondContact O-CG2 3.23Å; Y29-V33 PolarHBondContact O-N 3.34Å; L30-V33 PolarHBondContact O-N 3.19Å; Y31-V33 VanDerWaalsContact C-N 3.35Å; Y31-V33 PolarHBondContact O-N 3.04Å; V33-S35 PolarHBondContact O-N 3.47Å; V33-R36 WeakPolarHBondContact O-CB 3.17Å; V33-R36 PolarHBondContact O-N 3.34Å; V33-L44 HydrophobicContact CB-CD1 4.46Å; V33-L44 HydrophobicContact CG1-CD1 3.98Å; V33-L44 HydrophobicContact CG2-CD1 4.25Å |
| 34 | S | 86.2 | Confident | 89.6 | Confident | 68 Ų | 68 | 75 Ų | 75 | 48% | 0.476 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.8 | -18.7 | 175.2 | 67.8 | 0 | 0 | 0 | 0 | 112.5 | L30 Y31 R36 | L30-S34 VanDerWaalsContact O-CB 3.26Å; L30-S34 WeakPolarHBondContact O-CB 3.46Å; L30-S34 PolarHBondContact O-N 3.19Å; L30-S34 PolarHBondContact O-OG 3.43Å; Y31-S34 PolarHBondContact O-N 3.47Å; Y31-S34 PolarHBondContact O-OG 3.04Å; S34-R36 PolarHBondContact O-N 2.65Å |
| 35 | S | 84.8 | Confident | 90 | Very high | 49 Ų | 49 | 72.9 Ų | 72.9 | 34% | 0.343 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | 0.2 | 170 | 73.5 | 0 | 0 | 0 | 0 | 114.3 | C32 V33 P391 W394 | C32-S35 PolarHBondContact O-OG 3.21Å; V33-S35 PolarHBondContact O-N 3.47Å; S35-P391 WeakPolarHBondContact O-CB 3.36Å; S35-W394 WeakPolarHBondContact OG-CZ2 3.2Å; S35-W394 PolarHBondContact OG-NE1 2.89Å |
| 36 | R | 91.2 | Very high | 90.5 | Very high | 90 Ų | 90 | 73 Ų | 73 | 34% | 0.34 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -60.5 | 143.1 | 167.4 | -176.8 | -173.6 | 172.4 | -168.6 | -5.9 | 110 | V33 S34 R38 C40 A41 L42 L44 Q389 | V33-R36 WeakPolarHBondContact O-CB 3.17Å; V33-R36 PolarHBondContact O-N 3.34Å; S34-R36 PolarHBondContact O-N 2.65Å; R36-R38 PolarHBondContact O-N 2.7Å; R36-C40 PolarHBondContact NH2-O 3.16Å; R36-A41 PolarHBondContact NH2-O 2.63Å; R36-L42 PolarHBondContact NH2-O 2.9Å; R36-L44 HydrophobicContact CB-CD1 4.15Å; R36-L44 HydrophobicContact CB-CD2 4.26Å; R36-L44 HydrophobicContact CB-CG 4.24Å; R36-L44 HydrophobicContact CG-CD1 4.41Å; R36-L44 HydrophobicContact CG-CD2 4.12Å; R36-L44 HydrophobicContact CG-CG 4.01Å; R36-Q389 VanDerWaalsContact CG-CD 3.44Å |
| 37 | D | 93.3 | Very high | 90.8 | Very high | 46 Ų | 46 | 68 Ų | 68 | 25% | 0.246 | 36% | 0.364 | C | S | . | . | trans | -75.9 | 111.9 | 169.3 | -166.2 | -24.7 | 0 | 0 | 0 | 110.5 | S39 C40 T382 Q389 | D37-S39 VanDerWaalsContact C-N 3.28Å; D37-S39 PolarHBondContact O-N 3.03Å; D37-S39 WeakPolarHBondContact OD1-CB 3.38Å; D37-S39 PolarHBondContact OD1-N 3.28Å; D37-S39 PolarHBondContact OD1-OG 3.47Å; D37-C40 HydrophobicContact CB-CB 4.21Å; D37-C40 PolarHBondContact O-N 3.48Å; D37-T382 HydrophobicContact CB-CG2 3.67Å; D37-T382 WeakPolarHBondContact CB-OG1 3.34Å; D37-T382 WeakPolarHBondContact OD2-CB 3.33Å; D37-T382 WeakPolarHBondContact OD2-CG2 3.4Å; D37-T382 PolarHBondContact OD2-OG1 2.87Å; D37-Q389 PolarHBondContact O-NE2 3.19Å; D37-Q389 PolarHBondContact O-OE1 2.7Å | ||
| 38 | R | 92.2 | Very high | 91 | Very high | 226 Ų | 226 | 64.8 Ų | 64.8 | 85% | 0.853 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -20 | 179.6 | -64.8 | -175.7 | -179.6 | -174.6 | -0.1 | 113.1 | R36 C40 | R36-R38 PolarHBondContact O-N 2.7Å; R38-C40 VanDerWaalsContact C-N 3.26Å |
| 39 | S | 93.5 | Very high | 91.2 | Very high | 107 Ų | 107 | 63.7 Ų | 63.7 | 75% | 0.748 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -17.5 | 175.4 | 72.8 | 0 | 0 | 0 | 0 | 112.4 | D37 | D37-S39 VanDerWaalsContact C-N 3.28Å; D37-S39 PolarHBondContact O-N 3.03Å; D37-S39 WeakPolarHBondContact OD1-CB 3.38Å; D37-S39 PolarHBondContact OD1-N 3.28Å; D37-S39 PolarHBondContact OD1-OG 3.47Å |
| 40 | C | 93.3 | Very high | 91.4 | Very high | 28 Ų | 28 | 60.8 Ų | 60.8 | 19% | 0.189 | 34% | 0.344 | C | S | . | . | trans | -95.4 | 117.8 | 178.6 | -173.5 | 0 | 0 | 0 | 0 | 111.3 | R36 D37 R38 L42 T382 Q389 | R36-C40 PolarHBondContact NH2-O 3.16Å; D37-C40 HydrophobicContact CB-CB 4.21Å; D37-C40 PolarHBondContact O-N 3.48Å; R38-C40 VanDerWaalsContact C-N 3.26Å; C40-L42 PolarHBondContact O-N 3.2Å; C40-T382 HydrophobicContact CB-CG2 4.22Å; C40-Q389 HydrophobicContact CB-CB 4.33Å; C40-Q389 PolarHBondContact O-NE2 2.95Å | ||
| 41 | A | 94.4 | Very high | 91.5 | Very high | 99 Ų | 99 | 62.7 Ų | 62.7 | 82% | 0.818 | 35% | 0.348 | S | S | * | . | trans | -63.1 | -27.8 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | R36 | R36-A41 PolarHBondContact NH2-O 2.63Š| ||
| 42 | L | 96.8 | Very high | 91.4 | Very high | 47 Ų | 47 | 56 Ų | 56 | 25% | 0.246 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -64.3 | 145.9 | -177.5 | -62 | 175.6 | 0 | 0 | 0 | 112.1 | R36 C40 E384 Q389 | R36-L42 PolarHBondContact NH2-O 2.9Å; C40-L42 PolarHBondContact O-N 3.2Å; L42-E384 HydrophobicContact CD1-CB 3.66Å; L42-E384 HydrophobicContact CD1-CG 3.45Å; L42-E384 VanDerWaalsContact CD1-CG 3.45Å; L42-Q389 HydrophobicContact CB-CB 4.21Å; L42-Q389 WeakPolarHBondContact O-CG 3.31Å; L42-Q389 PolarHBondContact O-NE2 2.93Å |
| 43 | P | 95.7 | Very high | 91.1 | Very high | 66 Ų | 66 | 63 Ų | 63 | 43% | 0.429 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -73 | 163.1 | 175.8 | 30 | -32.8 | 0 | 0 | 0 | 111.8 | Y388 Q389 | P43-Y388 HydrophobicContact CG-CD1 3.92Å; P43-Y388 HydrophobicContact CG-CE1 4.14Å; P43-Y388 WeakPolarHBondContact O-CA 3.32Å; P43-Q389 PolarHBondContact O-N 3.28Å |
| 44 | L | 96.4 | Very high | 91.1 | Very high | 17 Ų | 17 | 68.5 Ų | 68.5 | 9% | 0.089 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 154.3 | 164.7 | -69.5 | 172.5 | 0 | 0 | 0 | 110.1 | V33 R36 K80 Y388 Q389 P391 W394 | V33-L44 HydrophobicContact CB-CD1 4.46Å; V33-L44 HydrophobicContact CG1-CD1 3.98Å; V33-L44 HydrophobicContact CG2-CD1 4.25Å; R36-L44 HydrophobicContact CB-CD1 4.15Å; R36-L44 HydrophobicContact CB-CD2 4.26Å; R36-L44 HydrophobicContact CB-CG 4.24Å; R36-L44 HydrophobicContact CG-CD1 4.41Å; R36-L44 HydrophobicContact CG-CD2 4.12Å; R36-L44 HydrophobicContact CG-CG 4.01Å; L44-K80 HydrophobicContact CB-CD 4.25Å; L44-K80 HydrophobicContact CD1-CD 4.5Å; L44-Y388 WeakPolarHBondContact O-CD1 3.38Å; L44-Q389 HydrophobicContact CD2-CG 4.1Å; L44-P391 HydrophobicContact CD2-CG 3.43Å; L44-P391 VanDerWaalsContact CD2-CG 3.43Å; L44-W394 HydrophobicContact CD1-CH2 4.06Å; L44-W394 HydrophobicContact CD1-CZ2 4.32Å; L44-W394 HydrophobicContact CD2-CH2 3.97Å; L44-W394 HydrophobicContact CD2-CZ2 4.08Å |
| 45 | P | 97 | Very high | 91.4 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -52.8 | 152.2 | 171.7 | -26.2 | 34.5 | 0 | 0 | 0 | 112.6 | I78 K80 V89 Y388 Q389 I390 | P45-I78 HydrophobicContact CB-CG1 4.22Å; P45-I78 HydrophobicContact CG-CD1 4.24Å; P45-I78 HydrophobicContact CG-CG1 4.21Å; P45-K80 HydrophobicContact CB-CB 4.46Å; P45-K80 WeakPolarHBondContact O-CD 3.33Å; P45-K80 VanDerWaalsContact O-CE 3.27Å; P45-K80 WeakPolarHBondContact O-CE 3.32Å; P45-K80 VanDerWaalsContact O-CG 3.31Å; P45-K80 WeakPolarHBondContact O-CG 3.25Å; P45-V89 HydrophobicContact CG-CG1 4.02Å; P45-V89 HydrophobicContact CG-CG2 4.34Å; P45-Y388 HydrophobicContact CB-CG 4.28Å; P45-Y388 HydrophobicContact CG-CG 4.15Å; P45-Q389 WeakPolarHBondContact CD-O 3.43Å; P45-I390 HydrophobicContact CG-CD1 4Å |
| 46 | P | 96.6 | Very high | 91.8 | Very high | 40 Ų | 40 | 63.7 Ų | 63.7 | 26% | 0.26 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -61.8 | 157 | 173.2 | 29.2 | -36.2 | 0 | 0 | 0 | 110.3 | Y75 I78 Y79 K80 | P46-Y75 HydrophobicContact CB-CD1 4.12Å; P46-I78 WeakPolarHBondContact CG-O 3.44Å; P46-Y79 CarbonylContact O-C 3.47Å; P46-Y79 WeakPolarHBondContact O-CA 3.4Å; P46-Y79 VanDerWaalsContact O-CB 3.23Å; P46-Y79 WeakPolarHBondContact O-CB 3.39Å; P46-K80 PolarHBondContact O-N 2.84Å |
| 47 | G | 94.9 | Very high | 91.8 | Very high | 19 Ų | 19 | 60.6 Ų | 60.6 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | 134.7 | -174.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | K80 | G47-K80 WeakPolarHBondContact CA-O 3.47Å; G47-K80 WeakPolarHBondContact O-CE 3.41Å |
| 48 | T | 91.8 | Very high | 91.6 | Very high | 50 Ų | 50 | 64.1 Ų | 64.1 | 31% | 0.307 | 35% | 0.351 | S | S | . | . | trans | -130 | 138.9 | -170.1 | 46.5 | 0 | 0 | 0 | 0 | 111.2 | G50 E56 K71 Y75 K80 T81 | T48-G50 VanDerWaalsContact C-N 3.25Å; T48-G50 PolarHBondContact O-N 3.25Å; T48-E56 PolarHBondContact OG1-OE1 3.12Å; T48-K71 PolarHBondContact OG1-NZ 3.11Å; T48-Y75 WeakPolarHBondContact CG2-OH 3.29Å; T48-K80 PolarHBondContact N-O 2.95Å; T48-T81 VanDerWaalsContact O-CA 3.3Å; T48-T81 WeakPolarHBondContact O-CA 3.28Å | ||
| 49 | M | 91.6 | Very high | 91.5 | Very high | 5 Ų | 5 | 56.5 Ų | 56.5 | 3% | 0.025 | 33% | 0.325 | C | S | . | . | trans | -86.5 | 6.7 | 178.2 | -55.7 | -53.3 | -107.1 | 0 | 0 | 113.5 | W28 Y29 C32 G55 K80 H82 P87 W394 | W28-M49 PolarHBondContact NE1-O 3.42Å; Y29-M49 HydrophobicContact CD2-CG 4.47Å; C32-M49 HydrophobicContact CB-CB 4.14Å; C32-M49 HydrophobicContact CB-CE 3.61Å; C32-M49 HydrophobicContact CB-CG 3.76Å; M49-G55 WeakPolarHBondContact O-CA 3.22Å; M49-K80 HydrophobicContact SD-CB 4.39Å; M49-K80 HydrophobicContact SD-CD 4.15Å; M49-K80 HydrophobicContact SD-CG 4.2Å; M49-H82 HydrophobicContact CB-CB 4.37Å; M49-H82 VanDerWaalsContact O-CB 3.25Å; M49-H82 WeakPolarHBondContact O-CB 3.29Å; M49-P87 HydrophobicContact CE-CB 3.79Å; M49-P87 HydrophobicContact CE-CG 4.25Å; M49-W394 HydrophobicContact CE-CH2 3.45Å; M49-W394 VanDerWaalsContact CE-CH2 3.45Å; M49-W394 HydrophobicContact CE-CZ2 4.02Å; M49-W394 HydrophobicContact CE-CZ3 3.94Å; M49-W394 HydrophobicContact SD-CH2 4.5Å | ||
| 50 | G | 90.8 | Very high | 91.4 | Very high | 32 Ų | 32 | 53.2 Ų | 53.2 | 33% | 0.33 | 30% | 0.299 | S | S | . | . | trans | 62.7 | -156.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | T48 | T48-G50 VanDerWaalsContact C-N 3.25Å; T48-G50 PolarHBondContact O-N 3.25Å | ||
| 51 | F | 88.8 | Confident | 91 | Very high | 132 Ų | 132 | 54.7 Ų | 54.7 | 58% | 0.579 | 31% | 0.307 | S | S | * | . | B | Isolated β-bridge | trans | -72.4 | 154.6 | 178.2 | -67.1 | -72.7 | 0 | 0 | 0 | 111.8 | F21 W28 F53 G55 | F21-F51 HydrophobicContact CE2-CD1 4.39Å; F21-F51 AromaticContact CZ-CD1 3.89Å; F21-F51 HydrophobicContact CZ-CD1 3.89Å; F21-F51 AromaticContact CZ-CE1 3.86Å; F21-F51 HydrophobicContact CZ-CE1 3.86Å; W28-F51 PolarHBondContact NE1-O 3.39Å; F51-F53 PolarHBondContact O-N 3.22Å; F51-G55 PolarHBondContact N-O 2.78Å; F51-G55 VanDerWaalsContact O-CA 3.24Å; F51-G55 WeakPolarHBondContact O-CA 3.1Å; F51-G55 PolarHBondContact O-N 2.91Å |
| 52 | P | 84.7 | Confident | 90.7 | Very high | 20 Ų | 20 | 56.1 Ų | 56.1 | 13% | 0.13 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 136.6 | 173.3 | -27.6 | 35.5 | 0 | 0 | 0 | 112.9 | T25 W28 F54 | T25-P52 HydrophobicContact CG2-CG 3.98Å; W28-P52 HydrophobicContact CB-CB 4.03Å; W28-P52 HydrophobicContact CB-CG 3.89Å; W28-P52 HydrophobicContact CD2-CB 4.15Å; W28-P52 HydrophobicContact CE3-CB 4.44Å; W28-P52 HydrophobicContact CG-CB 3.95Å; W28-P52 HydrophobicContact CG-CG 4.11Å; P52-F54 WeakPolarHBondContact O-CD2 3.39Å; P52-F54 PolarHBondContact O-N 3.26Å |
| 53 | F | 77.4 | Confident | 90.3 | Very high | 148 Ų | 148 | 58 Ų | 58 | 65% | 0.649 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | -48.5 | -179.7 | -49.9 | -78.7 | 0 | 0 | 0 | 115.8 | W28 F51 | W28-F53 VanDerWaalsContact CH2-CA 3.44Å; W28-F53 HydrophobicContact CH2-CD1 4.44Å; W28-F53 VanDerWaalsContact CH2-N 3.31Å; W28-F53 AromaticContact CZ3-CD1 3.9Å; W28-F53 HydrophobicContact CZ3-CD1 3.9Å; W28-F53 HydrophobicContact CZ3-CE1 4.23Å; W28-F53 HydrophobicContact CZ3-CG 4.31Å; F51-F53 PolarHBondContact O-N 3.22Å |
| 54 | F | 82.7 | Confident | 89.8 | Confident | 149 Ų | 149 | 59.8 Ų | 59.8 | 65% | 0.654 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -22.5 | -175.1 | -59.5 | -76.1 | 0 | 0 | 0 | 113.4 | P52 E56 T57 | P52-F54 WeakPolarHBondContact O-CD2 3.39Å; P52-F54 PolarHBondContact O-N 3.26Å; F54-E56 PolarHBondContact O-N 2.95Å; F54-T57 WeakPolarHBondContact O-CB 3.36Å; F54-T57 PolarHBondContact O-N 3.27Å; F54-T57 PolarHBondContact O-OG1 3.39Å |
| 55 | G | 91.4 | Very high | 89.2 | Confident | 3 Ų | 3 | 67.2 Ų | 67.2 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | 57.8 | -123.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | M49 F51 H82 | M49-G55 WeakPolarHBondContact O-CA 3.22Å; F51-G55 PolarHBondContact N-O 2.78Å; F51-G55 VanDerWaalsContact O-CA 3.24Å; F51-G55 WeakPolarHBondContact O-CA 3.1Å; F51-G55 PolarHBondContact O-N 2.91Å; G55-H82 WeakPolarHBondContact CA-O 3.4Å |
| 56 | E | 93.6 | Very high | 88.8 | Confident | 13 Ų | 13 | 74.8 Ų | 74.8 | 6% | 0.061 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 13.6 | 178.5 | -52.6 | -170.4 | 129.8 | 0 | 0 | 111.9 | T48 F54 L58 Q59 M60 F67 K71 T81 H82 L83 | T48-E56 PolarHBondContact OG1-OE1 3.12Å; F54-E56 PolarHBondContact O-N 2.95Å; E56-L58 PolarHBondContact O-N 2.8Å; E56-Q59 PolarHBondContact O-N 3.46Å; E56-M60 WeakPolarHBondContact O-CB 3.36Å; E56-M60 PolarHBondContact O-N 2.94Å; E56-F67 HydrophobicContact CB-CE2 3.95Å; E56-F67 HydrophobicContact CB-CZ 3.83Å; E56-K71 IonicContact OE1-NZ 3.6Å; E56-K71 PolarHBondContact OE1-NZ 3.23Å; E56-K71 VanDerWaalsContact OE2-CE 3.26Å; E56-K71 WeakPolarHBondContact OE2-CE 3.39Å; E56-K71 IonicContact OE2-NZ 3.29Å; E56-K71 PolarHBondContact OE2-NZ 2.92Å; E56-T81 PolarHBondContact OE2-OG1 3.4Å; E56-H82 PolarHBondContact N-O 2.95Å; E56-L83 HydrophobicContact CB-CD2 4.41Å |
| 57 | T | 90.8 | Very high | 88.5 | Confident | 26 Ų | 26 | 72.9 Ų | 72.9 | 16% | 0.16 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.5 | -48.9 | -173.6 | -49.4 | 0 | 0 | 0 | 0 | 111.8 | F54 Q59 M60 V61 L83 F84 | F54-T57 WeakPolarHBondContact O-CB 3.36Å; F54-T57 PolarHBondContact O-N 3.27Å; F54-T57 PolarHBondContact O-OG1 3.39Å; T57-Q59 VanDerWaalsContact C-N 3.34Å; T57-Q59 PolarHBondContact O-N 3.49Å; T57-M60 WeakPolarHBondContact O-CB 3.48Å; T57-M60 PolarHBondContact O-N 2.91Å; T57-V61 WeakPolarHBondContact O-CG2 3.46Å; T57-V61 PolarHBondContact O-N 2.86Å; T57-L83 WeakPolarHBondContact OG1-CA 3.38Å; T57-F84 HydrophobicContact CG2-CD1 3.65Å; T57-F84 HydrophobicContact CG2-CE1 3.82Å; T57-F84 HydrophobicContact CG2-CG 4.38Å; T57-F84 PolarHBondContact OG1-N 2.93Å |
| 58 | L | 89.3 | Confident | 88.3 | Confident | 120 Ų | 120 | 73.5 Ų | 73.5 | 63% | 0.628 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.3 | -42.3 | -179.5 | -175.6 | 63.1 | 0 | 0 | 0 | 111.4 | E56 M60 V61 L62 | E56-L58 PolarHBondContact O-N 2.8Å; L58-M60 VanDerWaalsContact C-N 3.32Å; L58-M60 PolarHBondContact O-N 3.38Å; L58-V61 PolarHBondContact O-N 3.33Å; L58-L62 HydrophobicContact CD1-CD1 3.96Å; L58-L62 HydrophobicContact CD1-CG 4.12Å; L58-L62 HydrophobicContact CD2-CD1 4.48Å; L58-L62 HydrophobicContact CG-CD1 3.84Å; L58-L62 HydrophobicContact CG-CG 4.36Å; L58-L62 WeakPolarHBondContact O-CB 3.36Å; L58-L62 VanDerWaalsContact O-CG 3.31Å; L58-L62 WeakPolarHBondContact O-CG 3.49Å; L58-L62 PolarHBondContact O-N 3.4Å |
| 59 | Q | 90.8 | Very high | 88.3 | Confident | 65 Ų | 65 | 73.4 Ų | 73.4 | 30% | 0.304 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 175.8 | -169.9 | -179 | 2.4 | 0 | 0 | 111.2 | E56 T57 Q63 F67 | E56-Q59 PolarHBondContact O-N 3.46Å; T57-Q59 VanDerWaalsContact C-N 3.34Å; T57-Q59 PolarHBondContact O-N 3.49Å; Q59-Q63 HydrophobicContact CG-CG 4.3Å; Q59-Q63 VanDerWaalsContact O-CB 3.27Å; Q59-Q63 WeakPolarHBondContact O-CB 3.39Å; Q59-Q63 PolarHBondContact O-N 3.34Å; Q59-F67 HydrophobicContact CB-CD2 4.29Å; Q59-F67 HydrophobicContact CB-CE2 4.39Å; Q59-F67 HydrophobicContact CG-CD2 3.75Å; Q59-F67 HydrophobicContact CG-CE2 4.22Å |
| 60 | M | 89.9 | Confident | 88.4 | Confident | 38 Ų | 38 | 77.2 Ų | 77.2 | 19% | 0.187 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 175.4 | -172.4 | -125.2 | 70.6 | 0 | 0 | 112 | E56 T57 L58 R64 F67 L83 F84 | E56-M60 WeakPolarHBondContact O-CB 3.36Å; E56-M60 PolarHBondContact O-N 2.94Å; T57-M60 WeakPolarHBondContact O-CB 3.48Å; T57-M60 PolarHBondContact O-N 2.91Å; L58-M60 VanDerWaalsContact C-N 3.32Å; L58-M60 PolarHBondContact O-N 3.38Å; M60-R64 WeakPolarHBondContact O-CA 3.14Å; M60-R64 PolarHBondContact O-N 3.19Å; M60-F67 HydrophobicContact CB-CD1 3.75Å; M60-F67 HydrophobicContact CB-CE1 3.76Å; M60-F67 HydrophobicContact CB-CG 4.33Å; M60-F67 HydrophobicContact CB-CZ 4.32Å; M60-F67 HydrophobicContact CG-CD1 3.7Å; M60-F67 HydrophobicContact CG-CE1 3.83Å; M60-L83 HydrophobicContact CB-CD2 3.91Å; M60-L83 HydrophobicContact CG-CD2 4.28Å; M60-L83 HydrophobicContact SD-CD1 4.49Å; M60-L83 HydrophobicContact SD-CD2 4.39Å; M60-F84 HydrophobicContact CE-CZ 4.04Å; M60-F84 HydrophobicContact SD-CE2 4.35Å; M60-F84 HydrophobicContact SD-CZ 3.92Å |
| 61 | V | 86.3 | Confident | 88.6 | Confident | 60 Ų | 60 | 76.2 Ų | 76.2 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.6 | -41.7 | -179.5 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | T57 L58 R64 | T57-V61 WeakPolarHBondContact O-CG2 3.46Å; T57-V61 PolarHBondContact O-N 2.86Å; L58-V61 PolarHBondContact O-N 3.33Å; V61-R64 VanDerWaalsContact O-CG 3.23Å; V61-R64 WeakPolarHBondContact O-CG 3.29Å; V61-R64 PolarHBondContact O-NE 2.95Å |
| 62 | L | 87.4 | Confident | 88.8 | Confident | 128 Ų | 128 | 71.9 Ų | 71.9 | 67% | 0.67 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -76.5 | -44.1 | -178.2 | -66.4 | 175.5 | 0 | 0 | 0 | 112.4 | L58 | L58-L62 HydrophobicContact CD1-CD1 3.96Å; L58-L62 HydrophobicContact CD1-CG 4.12Å; L58-L62 HydrophobicContact CD2-CD1 4.48Å; L58-L62 HydrophobicContact CG-CD1 3.84Å; L58-L62 HydrophobicContact CG-CG 4.36Å; L58-L62 WeakPolarHBondContact O-CB 3.36Å; L58-L62 VanDerWaalsContact O-CG 3.31Å; L58-L62 WeakPolarHBondContact O-CG 3.49Å; L58-L62 PolarHBondContact O-N 3.4Å |
| 63 | Q | 87.8 | Confident | 89.2 | Confident | 88 Ų | 88 | 80.8 Ų | 80.8 | 41% | 0.411 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -96.1 | -18.9 | -173.4 | -61.6 | 179.9 | -5.7 | 0 | 0 | 113.8 | Q59 R65 K66 F67 | Q59-Q63 HydrophobicContact CG-CG 4.3Å; Q59-Q63 VanDerWaalsContact O-CB 3.27Å; Q59-Q63 WeakPolarHBondContact O-CB 3.39Å; Q59-Q63 PolarHBondContact O-N 3.34Å; Q63-R65 PolarHBondContact O-N 3.46Å; Q63-K66 HydrophobicContact CB-CB 4.42Å; Q63-K66 WeakPolarHBondContact O-CB 3.49Å; Q63-K66 PolarHBondContact O-N 2.86Å; Q63-F67 HydrophobicContact CB-CB 3.89Å |
| 64 | R | 85.6 | Confident | 90.1 | Very high | 103 Ų | 103 | 80.8 Ų | 80.8 | 39% | 0.389 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | -115.6 | 173.3 | -55.7 | -177.6 | -179.6 | -120.2 | 2.5 | 113.2 | M60 V61 K66 F67 L68 T478 | M60-R64 WeakPolarHBondContact O-CA 3.14Å; M60-R64 PolarHBondContact O-N 3.19Å; V61-R64 VanDerWaalsContact O-CG 3.23Å; V61-R64 WeakPolarHBondContact O-CG 3.29Å; V61-R64 PolarHBondContact O-NE 2.95Å; R64-K66 VanDerWaalsContact C-N 3.26Å; R64-K66 PolarHBondContact O-N 3.35Å; R64-F67 WeakPolarHBondContact O-CB 3.26Å; R64-F67 PolarHBondContact O-N 3.02Å; R64-F67 VanDerWaalsContact O-N 3.13Å; R64-L68 PolarHBondContact O-N 3.01Å; R64-T478 PolarHBondContact NH1-O 3.46Å |
| 65 | R | 84.1 | Confident | 90.7 | Very high | 173 Ų | 173 | 75.7 Ų | 75.7 | 65% | 0.653 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -57 | -37.7 | -178.8 | -170.4 | 176.7 | -179 | -178.5 | 0.7 | 112.2 | Q63 F67 L68 Q69 | Q63-R65 PolarHBondContact O-N 3.46Å; R65-F67 PolarHBondContact O-N 2.8Å; R65-L68 PolarHBondContact O-N 3.19Å; R65-Q69 HydrophobicContact CG-CG 4.35Å; R65-Q69 WeakPolarHBondContact O-CB 3.5Å; R65-Q69 WeakPolarHBondContact O-CG 3.39Å; R65-Q69 PolarHBondContact O-N 3.23Å |
| 66 | K | 88.4 | Confident | 90.9 | Very high | 159 Ų | 159 | 76.9 Ų | 76.9 | 69% | 0.691 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.8 | -42.7 | 178.1 | -66.3 | -176.6 | 177.9 | -179.3 | 0 | 111.5 | Q63 R64 M70 | Q63-K66 HydrophobicContact CB-CB 4.42Å; Q63-K66 WeakPolarHBondContact O-CB 3.49Å; Q63-K66 PolarHBondContact O-N 2.86Å; R64-K66 VanDerWaalsContact C-N 3.26Å; R64-K66 PolarHBondContact O-N 3.35Å; K66-M70 VanDerWaalsContact O-CB 3.28Å; K66-M70 WeakPolarHBondContact O-CB 3.34Å; K66-M70 PolarHBondContact O-N 3.36Å |
| 67 | F | 91.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 175.8 | 169.4 | -97.7 | 0 | 0 | 0 | 111.3 | E56 Q59 M60 Q63 R64 R65 M70 K71 | E56-F67 HydrophobicContact CB-CE2 3.95Å; E56-F67 HydrophobicContact CB-CZ 3.83Å; Q59-F67 HydrophobicContact CB-CD2 4.29Å; Q59-F67 HydrophobicContact CB-CE2 4.39Å; Q59-F67 HydrophobicContact CG-CD2 3.75Å; Q59-F67 HydrophobicContact CG-CE2 4.22Å; M60-F67 HydrophobicContact CB-CD1 3.75Å; M60-F67 HydrophobicContact CB-CE1 3.76Å; M60-F67 HydrophobicContact CB-CG 4.33Å; M60-F67 HydrophobicContact CB-CZ 4.32Å; M60-F67 HydrophobicContact CG-CD1 3.7Å; M60-F67 HydrophobicContact CG-CE1 3.83Å; Q63-F67 HydrophobicContact CB-CB 3.89Å; R64-F67 WeakPolarHBondContact O-CB 3.26Å; R64-F67 PolarHBondContact O-N 3.02Å; R64-F67 VanDerWaalsContact O-N 3.13Å; R65-F67 PolarHBondContact O-N 2.8Å; F67-M70 HydrophobicContact CD2-CE 4.16Å; F67-M70 PolarHBondContact O-N 3.22Å; F67-K71 HydrophobicContact CD2-CG 4.28Å; F67-K71 HydrophobicContact CE1-CG 4.2Å; F67-K71 HydrophobicContact CE2-CD 4.3Å; F67-K71 HydrophobicContact CE2-CG 4Å; F67-K71 HydrophobicContact CZ-CD 4.36Å; F67-K71 HydrophobicContact CZ-CG 3.94Å; F67-K71 WeakPolarHBondContact O-CB 3.5Å; F67-K71 VanDerWaalsContact O-CG 3.24Å; F67-K71 WeakPolarHBondContact O-CG 3.43Å; F67-K71 PolarHBondContact O-N 2.85Å |
| 68 | L | 90.8 | Very high | 91.1 | Very high | 31 Ų | 31 | 79.9 Ų | 79.9 | 16% | 0.162 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.8 | -46.5 | 179.7 | -60.3 | -177.1 | 0 | 0 | 0 | 112.4 | R64 R65 M70 K71 R72 | R64-L68 PolarHBondContact O-N 3.01Å; R65-L68 PolarHBondContact O-N 3.19Å; L68-M70 PolarHBondContact O-N 3.24Å; L68-K71 PolarHBondContact O-N 3.11Å; L68-R72 WeakPolarHBondContact O-CB 3.24Å; L68-R72 PolarHBondContact O-N 3.1Å |
| 69 | Q | 90.5 | Very high | 91.5 | Very high | 49 Ų | 49 | 74.2 Ų | 74.2 | 23% | 0.229 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 176.5 | -74.1 | 175.4 | -23.3 | 0 | 0 | 112.1 | R65 R72 R73 | R65-Q69 HydrophobicContact CG-CG 4.35Å; R65-Q69 WeakPolarHBondContact O-CB 3.5Å; R65-Q69 WeakPolarHBondContact O-CG 3.39Å; R65-Q69 PolarHBondContact O-N 3.23Å; Q69-R72 PolarHBondContact O-N 3.26Å; Q69-R73 WeakPolarHBondContact O-CB 3.31Å; Q69-R73 VanDerWaalsContact O-CG 3.3Å; Q69-R73 WeakPolarHBondContact O-CG 3.48Å; Q69-R73 PolarHBondContact O-N 3.3Å |
| 70 | M | 94 | Very high | 91.8 | Very high | 85 Ų | 85 | 71.9 Ų | 71.9 | 42% | 0.419 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 177 | 179.5 | -167.3 | 65 | 0 | 0 | 111.3 | K66 F67 L68 R73 K74 | K66-M70 VanDerWaalsContact O-CB 3.28Å; K66-M70 WeakPolarHBondContact O-CB 3.34Å; K66-M70 PolarHBondContact O-N 3.36Å; F67-M70 HydrophobicContact CD2-CE 4.16Å; F67-M70 PolarHBondContact O-N 3.22Å; L68-M70 PolarHBondContact O-N 3.24Å; M70-R73 PolarHBondContact O-N 3.03Å; M70-K74 WeakPolarHBondContact O-CB 3.39Å; M70-K74 PolarHBondContact O-N 3.14Å; M70-K74 VanDerWaalsContact O-N 3.08Å |
| 71 | K | 94.8 | Very high | 92 | Very high | 10 Ų | 10 | 70 Ų | 70 | 4% | 0.043 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 179.6 | -69.9 | -71.3 | 179 | 171.6 | 0 | 111.9 | T48 E56 F67 L68 K74 Y75 Y79 | T48-K71 PolarHBondContact OG1-NZ 3.11Å; E56-K71 IonicContact OE1-NZ 3.6Å; E56-K71 PolarHBondContact OE1-NZ 3.23Å; E56-K71 VanDerWaalsContact OE2-CE 3.26Å; E56-K71 WeakPolarHBondContact OE2-CE 3.39Å; E56-K71 IonicContact OE2-NZ 3.29Å; E56-K71 PolarHBondContact OE2-NZ 2.92Å; F67-K71 HydrophobicContact CD2-CG 4.28Å; F67-K71 HydrophobicContact CE1-CG 4.2Å; F67-K71 HydrophobicContact CE2-CD 4.3Å; F67-K71 HydrophobicContact CE2-CG 4Å; F67-K71 HydrophobicContact CZ-CD 4.36Å; F67-K71 HydrophobicContact CZ-CG 3.94Å; F67-K71 WeakPolarHBondContact O-CB 3.5Å; F67-K71 VanDerWaalsContact O-CG 3.24Å; F67-K71 WeakPolarHBondContact O-CG 3.43Å; F67-K71 PolarHBondContact O-N 2.85Å; L68-K71 PolarHBondContact O-N 3.11Å; K71-K74 PolarHBondContact O-N 3.43Å; K71-Y75 HydrophobicContact CB-CD2 4.5Å; K71-Y75 HydrophobicContact CD-CD2 3.98Å; K71-Y75 HydrophobicContact CD-CE2 3.66Å; K71-Y75 WeakPolarHBondContact O-CD2 3.3Å; K71-Y75 PolarHBondContact O-N 3.33Å; K71-Y79 HydrophobicContact CB-CD2 4.43Å; K71-Y79 HydrophobicContact CB-CE1 3.95Å; K71-Y79 HydrophobicContact CB-CE2 3.76Å; K71-Y79 VanDerWaalsContact CB-CZ 3.47Å; K71-Y79 WeakPolarHBondContact CB-OH 3.37Å; K71-Y79 HydrophobicContact CD-CE2 4.3Å; K71-Y79 HydrophobicContact CG-CE2 4.09Å |
| 72 | R | 92.8 | Very high | 92.4 | Very high | 41 Ų | 41 | 67.4 Ų | 67.4 | 16% | 0.155 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.8 | -48.2 | 175.5 | -176.1 | 178.7 | 75.3 | -173.7 | 17.1 | 111.9 | L68 Q69 K74 G76 M92 D402 D405 | L68-R72 WeakPolarHBondContact O-CB 3.24Å; L68-R72 PolarHBondContact O-N 3.1Å; Q69-R72 PolarHBondContact O-N 3.26Å; R72-K74 PolarHBondContact O-N 3.3Å; R72-G76 WeakPolarHBondContact O-CA 3.42Å; R72-G76 PolarHBondContact O-N 3.26Å; R72-M92 HydrophobicContact CB-CE 4.31Å; R72-M92 HydrophobicContact CB-SD 4.34Å; R72-M92 WeakPolarHBondContact CD-SD 3.48Å; R72-M92 HydrophobicContact CG-CE 4.11Å; R72-M92 HydrophobicContact CG-SD 3.52Å; R72-M92 VanDerWaalsContact CG-SD 3.52Å; R72-D402 IonicContact CZ-OD1 2.77Å; R72-D402 IonicContact NH1-OD1 2.8Å; R72-D402 PolarHBondContact NH1-OD1 2.99Å; R72-D405 IonicContact CZ-OD2 3.81Å; R72-D405 IonicContact NH1-OD2 3.6Å; R72-D405 PolarHBondContact NH1-OD2 2.96Å; R72-D405 IonicContact NH2-OD2 3.02Å; R72-D405 PolarHBondContact NH2-OD2 3.26Å |
| 73 | R | 94.1 | Very high | 92.5 | Very high | 207 Ų | 207 | 61.3 Ų | 61.3 | 78% | 0.781 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -59.1 | -35.8 | 176.8 | -75.2 | 176.6 | -177.7 | 176.8 | 0.3 | 112.3 | Q69 M70 | Q69-R73 WeakPolarHBondContact O-CB 3.31Å; Q69-R73 VanDerWaalsContact O-CG 3.3Å; Q69-R73 WeakPolarHBondContact O-CG 3.48Å; Q69-R73 PolarHBondContact O-N 3.3Å; M70-R73 PolarHBondContact O-N 3.03Å |
| 74 | K | 96.3 | Very high | 92.4 | Very high | 148 Ų | 148 | 62.3 Ų | 62.3 | 64% | 0.643 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -82.1 | -38.3 | -177.5 | -171.6 | 172.7 | 178.6 | 177.4 | 0 | 114.1 | M70 K71 R72 | M70-K74 WeakPolarHBondContact O-CB 3.39Å; M70-K74 PolarHBondContact O-N 3.14Å; M70-K74 VanDerWaalsContact O-N 3.08Å; K71-K74 PolarHBondContact O-N 3.43Å; R72-K74 PolarHBondContact O-N 3.3Å |
| 75 | Y | 95.8 | Very high | 92.4 | Very high | 42 Ų | 42 | 59.8 Ų | 59.8 | 17% | 0.165 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -119 | -6.8 | -168.1 | -56.8 | -54.8 | 0 | 0 | 0 | 114.4 | P46 T48 K71 Y79 | P46-Y75 HydrophobicContact CB-CD1 4.12Å; T48-Y75 WeakPolarHBondContact CG2-OH 3.29Å; K71-Y75 HydrophobicContact CB-CD2 4.5Å; K71-Y75 HydrophobicContact CD-CD2 3.98Å; K71-Y75 HydrophobicContact CD-CE2 3.66Å; K71-Y75 WeakPolarHBondContact O-CD2 3.3Å; K71-Y75 PolarHBondContact O-N 3.33Å; Y75-Y79 HydrophobicContact CD2-CD2 4.34Å; Y75-Y79 HydrophobicContact CD2-CG 4.23Å |
| 76 | G | 93.9 | Very high | 92.7 | Very high | 29 Ų | 29 | 56.7 Ų | 56.7 | 30% | 0.299 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | -149.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R72 I78 | R72-G76 WeakPolarHBondContact O-CA 3.42Å; R72-G76 PolarHBondContact O-N 3.26Å; G76-I78 VanDerWaalsContact C-N 3.33Å; G76-I78 PolarHBondContact O-N 3.08Å |
| 77 | F | 93.9 | Very high | 92.9 | Very high | 99 Ų | 99 | 50.5 Ų | 50.5 | 43% | 0.434 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -13.9 | -169.8 | -58.7 | -45.2 | 0 | 0 | 0 | 115.3 | M92 V406 | F77-M92 HydrophobicContact CB-CG 4.06Å; F77-M92 HydrophobicContact CD1-CG 3.92Å; F77-M92 HydrophobicContact CD1-SD 4.37Å; F77-M92 HydrophobicContact CG-CG 4.46Å; F77-M92 WeakPolarHBondContact O-CG 3.4Å; F77-M92 PolarHBondContact O-N 2.94Å; F77-V406 HydrophobicContact CD1-CB 4.37Å; F77-V406 HydrophobicContact CD1-CG1 4.33Å; F77-V406 HydrophobicContact CD1-CG2 4.08Å; F77-V406 HydrophobicContact CE1-CB 3.62Å; F77-V406 HydrophobicContact CE1-CG1 3.79Å; F77-V406 HydrophobicContact CE1-CG2 3.7Å; F77-V406 HydrophobicContact CZ-CB 4.4Å |
| 78 | I | 96.5 | Very high | 93.1 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 126.8 | -179.6 | -168.4 | 172.3 | 0 | 0 | 0 | 110 | P45 P46 G76 V89 R90 V91 L385 N386 Y388 I390 | P45-I78 HydrophobicContact CB-CG1 4.22Å; P45-I78 HydrophobicContact CG-CD1 4.24Å; P45-I78 HydrophobicContact CG-CG1 4.21Å; P46-I78 WeakPolarHBondContact CG-O 3.44Å; G76-I78 VanDerWaalsContact C-N 3.33Å; G76-I78 PolarHBondContact O-N 3.08Å; I78-V89 HydrophobicContact CD1-CG1 4.2Å; I78-V89 HydrophobicContact CG1-CG1 3.74Å; I78-R90 WeakPolarHBondContact CA-O 3.18Å; I78-V91 HydrophobicContact CG1-CG2 4.46Å; I78-L385 HydrophobicContact CD1-CB 4.2Å; I78-L385 HydrophobicContact CD1-CD2 3.84Å; I78-L385 HydrophobicContact CD1-CG 4.01Å; I78-N386 HydrophobicContact CD1-CB 4.34Å; I78-N386 HydrophobicContact CG2-CB 4.15Å; I78-N386 WeakPolarHBondContact CG2-ND2 3.44Å; I78-Y388 HydrophobicContact CD1-CD2 4.4Å; I78-Y388 HydrophobicContact CG2-CD2 3.62Å; I78-Y388 HydrophobicContact CG2-CE2 3.62Å; I78-I390 HydrophobicContact CD1-CD1 3.95Å |
| 79 | Y | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 149.6 | 178.2 | 67.9 | -92.6 | 0 | 0 | 0 | 113 | P46 K71 Y75 T81 V89 R90 M92 | P46-Y79 CarbonylContact O-C 3.47Å; P46-Y79 WeakPolarHBondContact O-CA 3.4Å; P46-Y79 VanDerWaalsContact O-CB 3.23Å; P46-Y79 WeakPolarHBondContact O-CB 3.39Å; K71-Y79 HydrophobicContact CB-CD2 4.43Å; K71-Y79 HydrophobicContact CB-CE1 3.95Å; K71-Y79 HydrophobicContact CB-CE2 3.76Å; K71-Y79 VanDerWaalsContact CB-CZ 3.47Å; K71-Y79 WeakPolarHBondContact CB-OH 3.37Å; K71-Y79 HydrophobicContact CD-CE2 4.3Å; K71-Y79 HydrophobicContact CG-CE2 4.09Å; Y75-Y79 HydrophobicContact CD2-CD2 4.34Å; Y75-Y79 HydrophobicContact CD2-CG 4.23Å; Y79-T81 HydrophobicContact CE2-CG2 4.21Å; Y79-V89 CarbonylContact O-C 3.57Å; Y79-V89 WeakPolarHBondContact O-CA 3.41Å; Y79-R90 HydrophobicContact CD1-CB 4.16Å; Y79-R90 HydrophobicContact CD2-CB 4.39Å; Y79-R90 HydrophobicContact CE1-CB 3.68Å; Y79-R90 HydrophobicContact CE1-CG 4.4Å; Y79-R90 HydrophobicContact CE2-CB 3.95Å; Y79-R90 HydrophobicContact CE2-CG 3.95Å; Y79-R90 HydrophobicContact CG-CB 4.49Å; Y79-R90 PolarHBondContact N-O 3.18Å; Y79-R90 VanDerWaalsContact N-O 3.15Å; Y79-R90 PolarHBondContact O-N 3.48Å; Y79-R90 WeakPolarHBondContact OH-CD 3.49Å; Y79-M92 HydrophobicContact CE1-CE 4.05Å |
| 80 | K | 96.3 | Very high | 93.7 | Very high | 16 Ų | 16 | 47.7 Ų | 47.7 | 7% | 0.07 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 145.6 | 172.4 | 68.9 | -176.6 | 174.1 | -173.9 | 0 | 111.6 | L44 P45 P46 G47 T48 M49 T88 W394 | L44-K80 HydrophobicContact CB-CD 4.25Å; L44-K80 HydrophobicContact CD1-CD 4.5Å; P45-K80 HydrophobicContact CB-CB 4.46Å; P45-K80 WeakPolarHBondContact O-CD 3.33Å; P45-K80 VanDerWaalsContact O-CE 3.27Å; P45-K80 WeakPolarHBondContact O-CE 3.32Å; P45-K80 VanDerWaalsContact O-CG 3.31Å; P45-K80 WeakPolarHBondContact O-CG 3.25Å; P46-K80 PolarHBondContact O-N 2.84Å; G47-K80 WeakPolarHBondContact CA-O 3.47Å; G47-K80 WeakPolarHBondContact O-CE 3.41Å; T48-K80 PolarHBondContact N-O 2.95Å; M49-K80 HydrophobicContact SD-CB 4.39Å; M49-K80 HydrophobicContact SD-CD 4.15Å; M49-K80 HydrophobicContact SD-CG 4.2Å; K80-T88 CarbonylContact C-O 3.53Å; K80-T88 WeakPolarHBondContact CA-O 3.41Å; K80-W394 HydrophobicContact CB-CZ3 3.87Å; K80-W394 HydrophobicContact CD-CH2 4.4Å |
| 81 | T | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 178.5 | 172.2 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | T48 E56 Y79 L83 T88 R90 | T48-T81 VanDerWaalsContact O-CA 3.3Å; T48-T81 WeakPolarHBondContact O-CA 3.28Å; E56-T81 PolarHBondContact OE2-OG1 3.4Å; Y79-T81 HydrophobicContact CE2-CG2 4.21Å; T81-L83 HydrophobicContact CG2-CD1 3.74Å; T81-L83 HydrophobicContact CG2-CG 3.75Å; T81-T88 HydrophobicContact CG2-CG2 4.32Å; T81-T88 PolarHBondContact N-O 3Å; T81-T88 PolarHBondContact O-N 3.22Å; T81-R90 HydrophobicContact CG2-CG 4.25Å |
| 82 | H | 93.4 | Very high | 93.9 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.019 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 109.4 | 172.3 | -169.2 | -81.4 | 0 | 0 | 0 | 108.6 | W28 M49 G55 E56 G85 R86 | W28-H82 AromaticContact CH2-CE1 3.89Å; W28-H82 AromaticContact CH2-NE2 3.78Å; W28-H82 AromaticContact CZ2-CD2 3.82Å; W28-H82 AromaticContact CZ2-CE1 3.51Å; W28-H82 AromaticContact CZ2-ND1 3.93Å; W28-H82 AromaticContact CZ2-NE2 3.45Å; W28-H82 WeakPolarHBondContact CZ2-NE2 3.48Å; M49-H82 HydrophobicContact CB-CB 4.37Å; M49-H82 VanDerWaalsContact O-CB 3.25Å; M49-H82 WeakPolarHBondContact O-CB 3.29Å; G55-H82 WeakPolarHBondContact CA-O 3.4Å; E56-H82 PolarHBondContact N-O 2.95Å; H82-G85 VanDerWaalsContact CE1-CA 3.49Å; H82-G85 WeakPolarHBondContact CE1-CA 3.28Å; H82-R86 WeakPolarHBondContact CA-O 3.33Å; H82-R86 PolarHBondContact CE1-N 3.41Å; H82-R86 VanDerWaalsContact CE1-N 3.33Å; H82-R86 PolarHBondContact NE2-N 3.14Å |
| 83 | L | 90.5 | Very high | 94 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 139.4 | -175.4 | -65.6 | 176 | 0 | 0 | 0 | 109.5 | E56 T57 M60 T81 G85 R86 T88 I397 | E56-L83 HydrophobicContact CB-CD2 4.41Å; T57-L83 WeakPolarHBondContact OG1-CA 3.38Å; M60-L83 HydrophobicContact CB-CD2 3.91Å; M60-L83 HydrophobicContact CG-CD2 4.28Å; M60-L83 HydrophobicContact SD-CD1 4.49Å; M60-L83 HydrophobicContact SD-CD2 4.39Å; T81-L83 HydrophobicContact CG2-CD1 3.74Å; T81-L83 HydrophobicContact CG2-CG 3.75Å; L83-G85 PolarHBondContact O-N 3.09Å; L83-R86 PolarHBondContact N-O 3.04Å; L83-R86 VanDerWaalsContact N-O 3.07Å; L83-R86 PolarHBondContact O-N 3.07Å; L83-T88 HydrophobicContact CD1-CG2 4.43Å; L83-I397 HydrophobicContact CD1-CD1 4.17Å |
| 84 | F | 85.8 | Confident | 93.9 | Very high | 109 Ų | 109 | 33 Ų | 33 | 48% | 0.478 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 41.8 | 176.4 | -47.3 | -68.3 | 0 | 0 | 0 | 112.9 | T57 M60 R86 F376 | T57-F84 HydrophobicContact CG2-CD1 3.65Å; T57-F84 HydrophobicContact CG2-CE1 3.82Å; T57-F84 HydrophobicContact CG2-CG 4.38Å; T57-F84 PolarHBondContact OG1-N 2.93Å; M60-F84 HydrophobicContact CE-CZ 4.04Å; M60-F84 HydrophobicContact SD-CE2 4.35Å; M60-F84 HydrophobicContact SD-CZ 3.92Å; F84-R86 VanDerWaalsContact C-N 3.3Å; F84-R86 PolarHBondContact O-N 3.07Å; F84-F376 HydrophobicContact CE2-CE1 4.21Å |
| 85 | G | 85.9 | Confident | 93.8 | Very high | 50 Ų | 50 | 32 Ų | 32 | 52% | 0.515 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 10.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | H82 L83 | H82-G85 VanDerWaalsContact CE1-CA 3.49Å; H82-G85 WeakPolarHBondContact CE1-CA 3.28Å; L83-G85 PolarHBondContact O-N 3.09Å |
| 86 | R | 89.3 | Confident | 93.8 | Very high | 108 Ų | 108 | 30.8 Ų | 30.8 | 41% | 0.408 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 144.6 | -177.5 | -65.9 | -171.5 | 175.4 | -173.3 | 0.5 | 114.3 | H82 L83 F84 T88 N395 | H82-R86 WeakPolarHBondContact CA-O 3.33Å; H82-R86 PolarHBondContact CE1-N 3.41Å; H82-R86 VanDerWaalsContact CE1-N 3.33Å; H82-R86 PolarHBondContact NE2-N 3.14Å; L83-R86 PolarHBondContact N-O 3.04Å; L83-R86 VanDerWaalsContact N-O 3.07Å; L83-R86 PolarHBondContact O-N 3.07Å; F84-R86 VanDerWaalsContact C-N 3.3Å; F84-R86 PolarHBondContact O-N 3.07Å; R86-T88 PolarHBondContact O-N 3.22Å; R86-T88 PolarHBondContact O-OG1 3Å; R86-N395 WeakPolarHBondContact CB-ND2 3.41Å; R86-N395 WeakPolarHBondContact CD-OD1 3.26Å |
| 87 | P | 93.9 | Very high | 93.9 | Very high | 29 Ų | 29 | 29.4 Ų | 29.4 | 19% | 0.188 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.7 | 126.7 | 162.3 | -25.5 | 35.4 | 0 | 0 | 0 | 110.6 | M49 W394 N395 | M49-P87 HydrophobicContact CE-CB 3.79Å; M49-P87 HydrophobicContact CE-CG 4.25Å; P87-W394 HydrophobicContact CB-CD2 3.51Å; P87-W394 HydrophobicContact CB-CE3 3.78Å; P87-W394 HydrophobicContact CB-CG 3.98Å; P87-W394 HydrophobicContact CB-CH2 4.18Å; P87-W394 HydrophobicContact CB-CZ2 3.9Å; P87-W394 HydrophobicContact CB-CZ3 4.12Å; P87-N395 PolarHBondContact O-N 3.35Å |
| 88 | T | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 133.7 | -171 | -61.4 | 0 | 0 | 0 | 0 | 110.5 | K80 T81 L83 R86 N395 I397 | K80-T88 CarbonylContact C-O 3.53Å; K80-T88 WeakPolarHBondContact CA-O 3.41Å; T81-T88 HydrophobicContact CG2-CG2 4.32Å; T81-T88 PolarHBondContact N-O 3Å; T81-T88 PolarHBondContact O-N 3.22Å; L83-T88 HydrophobicContact CD1-CG2 4.43Å; R86-T88 PolarHBondContact O-N 3.22Å; R86-T88 PolarHBondContact O-OG1 3Å; T88-N395 CarbonylContact C-O 3.59Å; T88-N395 VanDerWaalsContact CA-O 3.31Å; T88-N395 WeakPolarHBondContact CA-O 3.19Å; T88-N395 HydrophobicContact CG2-CB 4.09Å; T88-N395 WeakPolarHBondContact OG1-CB 3.23Å; T88-I397 HydrophobicContact CG2-CB 4.49Å; T88-I397 HydrophobicContact CG2-CD1 3.59Å; T88-I397 HydrophobicContact CG2-CG1 3.69Å |
| 89 | V | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 123.4 | 167.8 | -173.3 | 0 | 0 | 0 | 0 | 108.7 | P45 I78 Y79 V91 I390 W394 N395 V396 I397 | P45-V89 HydrophobicContact CG-CG1 4.02Å; P45-V89 HydrophobicContact CG-CG2 4.34Å; I78-V89 HydrophobicContact CD1-CG1 4.2Å; I78-V89 HydrophobicContact CG1-CG1 3.74Å; Y79-V89 CarbonylContact O-C 3.57Å; Y79-V89 WeakPolarHBondContact O-CA 3.41Å; V89-V91 HydrophobicContact CG1-CG2 3.96Å; V89-I390 HydrophobicContact CG1-CD1 3.99Å; V89-I390 HydrophobicContact CG2-CD1 4.2Å; V89-I390 HydrophobicContact CG2-CG2 4.3Å; V89-W394 HydrophobicContact CG2-CE3 3.66Å; V89-W394 HydrophobicContact CG2-CZ3 4.16Å; V89-N395 PolarHBondContact N-O 3.02Å; V89-V396 CarbonylContact O-C 3.49Å; V89-V396 WeakPolarHBondContact O-CA 3.12Å; V89-I397 PolarHBondContact O-N 3.08Å |
| 90 | R | 96.8 | Very high | 93.9 | Very high | 21 Ų | 21 | 35 Ų | 35 | 8% | 0.079 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 136.7 | 167.7 | -67.2 | -133.9 | 75 | 177.8 | -3.8 | 109.6 | I78 Y79 T81 I397 | I78-R90 WeakPolarHBondContact CA-O 3.18Å; Y79-R90 HydrophobicContact CD1-CB 4.16Å; Y79-R90 HydrophobicContact CD2-CB 4.39Å; Y79-R90 HydrophobicContact CE1-CB 3.68Å; Y79-R90 HydrophobicContact CE1-CG 4.4Å; Y79-R90 HydrophobicContact CE2-CB 3.95Å; Y79-R90 HydrophobicContact CE2-CG 3.95Å; Y79-R90 HydrophobicContact CG-CB 4.49Å; Y79-R90 PolarHBondContact N-O 3.18Å; Y79-R90 VanDerWaalsContact N-O 3.15Å; Y79-R90 PolarHBondContact O-N 3.48Å; Y79-R90 WeakPolarHBondContact OH-CD 3.49Å; T81-R90 HydrophobicContact CG2-CG 4.25Å; R90-I397 WeakPolarHBondContact CA-O 2.98Å |
| 91 | V | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 133.5 | -173.5 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | I78 V89 N96 V97 I100 L385 V396 I397 Y398 S399 | I78-V91 HydrophobicContact CG1-CG2 4.46Å; V89-V91 HydrophobicContact CG1-CG2 3.96Å; V91-N96 HydrophobicContact CG1-CB 3.47Å; V91-N96 VanDerWaalsContact CG1-CB 3.47Å; V91-V97 HydrophobicContact CG1-CG2 4.39Å; V91-I100 HydrophobicContact CG1-CG1 4.15Å; V91-L385 HydrophobicContact CG1-CD2 3.96Å; V91-L385 HydrophobicContact CG2-CD2 3.91Å; V91-V396 HydrophobicContact CG2-CG1 3.74Å; V91-I397 PolarHBondContact N-O 2.79Å; V91-Y398 CarbonylContact O-C 3.28Å; V91-Y398 VanDerWaalsContact O-CA 3.24Å; V91-Y398 WeakPolarHBondContact O-CA 3.32Å; V91-S399 PolarHBondContact O-N 3.18Å |
| 92 | M | 95.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | trans | -147 | 173.2 | 172.6 | 68.6 | -163.1 | 72.8 | 0 | 0 | 110.4 | R72 F77 Y79 N96 D402 | R72-M92 HydrophobicContact CB-CE 4.31Å; R72-M92 HydrophobicContact CB-SD 4.34Å; R72-M92 WeakPolarHBondContact CD-SD 3.48Å; R72-M92 HydrophobicContact CG-CE 4.11Å; R72-M92 HydrophobicContact CG-SD 3.52Å; R72-M92 VanDerWaalsContact CG-SD 3.52Å; F77-M92 HydrophobicContact CB-CG 4.06Å; F77-M92 HydrophobicContact CD1-CG 3.92Å; F77-M92 HydrophobicContact CD1-SD 4.37Å; F77-M92 HydrophobicContact CG-CG 4.46Å; F77-M92 WeakPolarHBondContact O-CG 3.4Å; F77-M92 PolarHBondContact O-N 2.94Å; Y79-M92 HydrophobicContact CE1-CE 4.05Å; M92-N96 WeakPolarHBondContact O-CB 3.33Å; M92-N96 PolarHBondContact O-ND2 2.96Å; M92-D402 HydrophobicContact CB-CB 3.86Å; M92-D402 HydrophobicContact CE-CB 4.21Å; M92-D402 HydrophobicContact CG-CB 4.32Å; M92-D402 HydrophobicContact SD-CB 3.67Å | ||
| 93 | G | 93.6 | Very high | 94 | Very high | 9 Ų | 9 | 37.3 Ų | 37.3 | 9% | 0.093 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 89.4 | 144.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D95 N96 V97 T403 | G93-D95 PolarHBondContact O-N 2.8Å; G93-N96 PolarHBondContact O-N 3.4Å; G93-V97 WeakPolarHBondContact O-CB 3.16Å; G93-V97 WeakPolarHBondContact O-CG2 2.93Å; G93-V97 PolarHBondContact O-N 3.08Å; G93-T403 PolarHBondContact N-OG1 3.34Å |
| 94 | A | 92.8 | Very high | 94.2 | Very high | 23 Ų | 23 | 37.6 Ų | 37.6 | 19% | 0.19 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -46.3 | -59.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N96 V97 R98 R431 T433 | A94-N96 PolarHBondContact O-N 2.84Å; A94-V97 PolarHBondContact O-N 2.93Å; A94-R98 WeakPolarHBondContact O-CB 3.27Å; A94-R98 PolarHBondContact O-N 3.45Å; A94-R431 WeakPolarHBondContact CB-O 3.29Å; A94-T433 HydrophobicContact CB-CG2 4Å |
| 95 | D | 93.6 | Very high | 94.5 | Very high | 128 Ų | 128 | 34.2 Ų | 34.2 | 68% | 0.684 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -65.8 | -40.8 | -174.3 | -67.8 | -35.4 | 0 | 0 | 0 | 112.9 | G93 R98 R99 | G93-D95 PolarHBondContact O-N 2.8Å; D95-R98 WeakPolarHBondContact O-CB 3.48Å; D95-R98 PolarHBondContact O-N 3Å; D95-R99 WeakPolarHBondContact O-CB 3.23Å; D95-R99 PolarHBondContact O-N 2.71Å |
| 96 | N | 95.6 | Very high | 95 | Very high | 16 Ų | 16 | 38.8 Ų | 38.8 | 9% | 0.086 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.5 | -48.2 | 180 | -63.6 | -39.6 | 0 | 0 | 0 | 110.9 | V91 M92 G93 A94 R98 R99 I100 L385 | V91-N96 HydrophobicContact CG1-CB 3.47Å; V91-N96 VanDerWaalsContact CG1-CB 3.47Å; M92-N96 WeakPolarHBondContact O-CB 3.33Å; M92-N96 PolarHBondContact O-ND2 2.96Å; G93-N96 PolarHBondContact O-N 3.4Å; A94-N96 PolarHBondContact O-N 2.84Å; N96-R98 VanDerWaalsContact C-N 3.34Å; N96-R99 PolarHBondContact O-N 2.89Å; N96-I100 WeakPolarHBondContact O-CG1 3.5Å; N96-I100 PolarHBondContact O-N 2.84Å; N96-I100 VanDerWaalsContact O-N 3.08Å; N96-L385 HydrophobicContact CB-CD1 4.44Å |
| 97 | V | 96.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.5 | -37.5 | 179.4 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | V91 G93 A94 R99 I100 L101 Y398 T403 I435 | V91-V97 HydrophobicContact CG1-CG2 4.39Å; G93-V97 WeakPolarHBondContact O-CB 3.16Å; G93-V97 WeakPolarHBondContact O-CG2 2.93Å; G93-V97 PolarHBondContact O-N 3.08Å; A94-V97 PolarHBondContact O-N 2.93Å; V97-R99 VanDerWaalsContact C-N 3.34Å; V97-R99 PolarHBondContact O-N 2.94Å; V97-I100 PolarHBondContact O-N 3.26Å; V97-L101 HydrophobicContact CG1-CD1 3.59Å; V97-L101 HydrophobicContact CG1-CG 3.95Å; V97-L101 WeakPolarHBondContact O-CB 3.44Å; V97-L101 WeakPolarHBondContact O-CG 3.27Å; V97-L101 PolarHBondContact O-N 3.14Å; V97-Y398 HydrophobicContact CG1-CD2 3.8Å; V97-Y398 HydrophobicContact CG1-CG 4.32Å; V97-T403 VanDerWaalsContact CG2-OG1 3.29Å; V97-T403 WeakPolarHBondContact CG2-OG1 3.45Å; V97-I435 HydrophobicContact CB-CD1 4.38Å; V97-I435 HydrophobicContact CG1-CD1 3.44Å; V97-I435 VanDerWaalsContact CG1-CD1 3.44Å |
| 98 | R | 95.4 | Very high | 95.5 | Very high | 110 Ų | 110 | 32.4 Ų | 32.4 | 42% | 0.415 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -54.4 | -49.3 | 170.3 | -179.8 | 173.7 | -172.4 | -75.1 | -2 | 111.6 | A94 D95 N96 I100 L101 L102 F432 | A94-R98 WeakPolarHBondContact O-CB 3.27Å; A94-R98 PolarHBondContact O-N 3.45Å; D95-R98 WeakPolarHBondContact O-CB 3.48Å; D95-R98 PolarHBondContact O-N 3Å; N96-R98 VanDerWaalsContact C-N 3.34Å; R98-I100 VanDerWaalsContact C-N 3.33Å; R98-I100 PolarHBondContact O-N 2.67Å; R98-L101 PolarHBondContact O-N 3.11Å; R98-L102 HydrophobicContact CG-CD1 3.71Å; R98-L102 HydrophobicContact CG-CG 4.27Å; R98-L102 VanDerWaalsContact O-CB 3.31Å; R98-L102 WeakPolarHBondContact O-CB 3.43Å; R98-L102 WeakPolarHBondContact O-CG 3.36Å; R98-L102 PolarHBondContact O-N 3.4Å; R98-F432 HydrophobicContact CB-CB 3.92Å; R98-F432 HydrophobicContact CB-CD1 3.81Å; R98-F432 HydrophobicContact CB-CD2 3.76Å; R98-F432 HydrophobicContact CB-CE1 4.24Å; R98-F432 HydrophobicContact CB-CE2 4.19Å; R98-F432 HydrophobicContact CB-CG 3.55Å; R98-F432 HydrophobicContact CB-CZ 4.41Å; R98-F432 HydrophobicContact CG-CD1 4.27Å; R98-F432 HydrophobicContact CG-CD2 3.51Å; R98-F432 HydrophobicContact CG-CE1 4.34Å; R98-F432 HydrophobicContact CG-CE2 3.59Å; R98-F432 HydrophobicContact CG-CG 3.88Å; R98-F432 HydrophobicContact CG-CZ 4.01Å |
| 99 | R | 96.4 | Very high | 95.5 | Very high | 109 Ų | 109 | 32.8 Ų | 32.8 | 41% | 0.411 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -61.5 | -40.9 | 179.6 | -176.9 | 58.3 | 171 | 165.3 | -3.2 | 112.3 | D95 N96 V97 G103 L107 L385 | D95-R99 WeakPolarHBondContact O-CB 3.23Å; D95-R99 PolarHBondContact O-N 2.71Å; N96-R99 PolarHBondContact O-N 2.89Å; V97-R99 VanDerWaalsContact C-N 3.34Å; V97-R99 PolarHBondContact O-N 2.94Å; R99-G103 WeakPolarHBondContact O-CA 3.39Å; R99-G103 PolarHBondContact O-N 3.31Å; R99-L107 HydrophobicContact CG-CD1 4.32Å; R99-L385 HydrophobicContact CB-CD1 3.82Å; R99-L385 HydrophobicContact CG-CD1 3.73Å |
| 100 | I | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66 | -51.6 | 176.6 | -66.8 | -55.2 | 0 | 0 | 0 | 111.2 | V91 N96 V97 R98 G103 E104 V108 R377 F383 L385 V396 Y398 | V91-I100 HydrophobicContact CG1-CG1 4.15Å; N96-I100 WeakPolarHBondContact O-CG1 3.5Å; N96-I100 PolarHBondContact O-N 2.84Å; N96-I100 VanDerWaalsContact O-N 3.08Å; V97-I100 PolarHBondContact O-N 3.26Å; R98-I100 VanDerWaalsContact C-N 3.33Å; R98-I100 PolarHBondContact O-N 2.67Å; I100-G103 WeakPolarHBondContact O-CA 3.14Å; I100-G103 PolarHBondContact O-N 2.68Å; I100-G103 VanDerWaalsContact O-N 3.09Å; I100-E104 PolarHBondContact O-N 2.81Å; I100-V108 HydrophobicContact CD1-CG1 4.22Å; I100-V108 HydrophobicContact CG2-CG2 4.27Å; I100-V108 VanDerWaalsContact O-CG2 3.32Å; I100-V108 WeakPolarHBondContact O-CG2 3.37Å; I100-R377 HydrophobicContact CG2-CG 4.22Å; I100-F383 HydrophobicContact CD1-CE2 3.93Å; I100-F383 HydrophobicContact CD1-CZ 3.73Å; I100-L385 HydrophobicContact CD1-CD2 3.88Å; I100-L385 HydrophobicContact CG1-CD2 4.11Å; I100-V396 HydrophobicContact CD1-CG1 3.89Å; I100-V396 HydrophobicContact CG1-CG1 4.2Å; I100-V396 HydrophobicContact CG2-CG1 4.37Å; I100-Y398 HydrophobicContact CG2-CD1 4.12Å; I100-Y398 HydrophobicContact CG2-CG 4.48Å |
| 101 | L | 95.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.5 | -41.1 | -175.7 | -69.5 | 179.3 | 0 | 0 | 0 | 113.1 | V97 R98 G103 Y398 F432 I435 P441 | V97-L101 HydrophobicContact CG1-CD1 3.59Å; V97-L101 HydrophobicContact CG1-CG 3.95Å; V97-L101 WeakPolarHBondContact O-CB 3.44Å; V97-L101 WeakPolarHBondContact O-CG 3.27Å; V97-L101 PolarHBondContact O-N 3.14Å; R98-L101 PolarHBondContact O-N 3.11Å; L101-G103 PolarHBondContact O-N 2.86Å; L101-Y398 HydrophobicContact CD1-CE2 4.38Å; L101-Y398 HydrophobicContact CD2-CD1 4.22Å; L101-Y398 HydrophobicContact CD2-CD2 4.33Å; L101-Y398 HydrophobicContact CD2-CE1 3.73Å; L101-Y398 HydrophobicContact CD2-CE2 3.85Å; L101-Y398 HydrophobicContact CD2-CG 4.5Å; L101-Y398 HydrophobicContact CG-CE2 4.46Å; L101-F432 HydrophobicContact CB-CE1 4.05Å; L101-F432 HydrophobicContact CD1-CD1 4.16Å; L101-F432 HydrophobicContact CD1-CE1 3.84Å; L101-I435 HydrophobicContact CD1-CD1 4.14Å; L101-P441 WeakPolarHBondContact O-CD 3.31Å |
| 102 | L | 95.2 | Very high | 94.3 | Very high | 67 Ų | 67 | 38.3 Ų | 38.3 | 35% | 0.351 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -12.6 | 173 | -61.5 | -177.2 | 0 | 0 | 0 | 112.9 | R98 E104 F432 | R98-L102 HydrophobicContact CG-CD1 3.71Å; R98-L102 HydrophobicContact CG-CG 4.27Å; R98-L102 VanDerWaalsContact O-CB 3.31Å; R98-L102 WeakPolarHBondContact O-CB 3.43Å; R98-L102 WeakPolarHBondContact O-CG 3.36Å; R98-L102 PolarHBondContact O-N 3.4Å; L102-E104 VanDerWaalsContact C-N 3.34Å; L102-F432 HydrophobicContact CD1-CE2 4.44Å; L102-F432 HydrophobicContact CD1-CZ 4.39Å; L102-F432 HydrophobicContact CD2-CZ 4.03Å; L102-F432 HydrophobicContact CG-CZ 4.03Å |
| 103 | G | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -1.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R99 I100 L101 H105 R106 L107 V108 | R99-G103 WeakPolarHBondContact O-CA 3.39Å; R99-G103 PolarHBondContact O-N 3.31Å; I100-G103 WeakPolarHBondContact O-CA 3.14Å; I100-G103 PolarHBondContact O-N 2.68Å; I100-G103 VanDerWaalsContact O-N 3.09Å; L101-G103 PolarHBondContact O-N 2.86Å; G103-H105 PolarHBondContact O-N 3.14Å; G103-R106 PolarHBondContact O-N 3.17Å; G103-R106 VanDerWaalsContact O-N 3.1Å; G103-L107 PolarHBondContact O-N 3.42Å; G103-V108 PolarHBondContact O-N 3.5Å |
| 104 | E | 94.9 | Very high | 93.6 | Very high | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -53.3 | 138.9 | 177.3 | -171.8 | 77.5 | -168.7 | 0 | 0 | 111.1 | I100 L102 R106 V108 V110 R377 P441 R442 | I100-E104 PolarHBondContact O-N 2.81Å; L102-E104 VanDerWaalsContact C-N 3.34Å; E104-R106 PolarHBondContact O-N 3.4Å; E104-V108 CarbonylContact C-O 3.56Å; E104-V108 WeakPolarHBondContact CA-O 3.28Å; E104-V110 PolarHBondContact OE1-N 3.21Å; E104-R377 WeakPolarHBondContact OE2-CD 3.32Å; E104-R377 IonicContact OE2-CZ 3.32Å; E104-R377 IonicContact OE2-NE 2.87Å; E104-R377 PolarHBondContact OE2-NE 3.46Å; E104-R377 IonicContact OE2-NH2 2.91Å; E104-P441 HydrophobicContact CB-CB 4.34Å; E104-P441 HydrophobicContact CB-CG 4.12Å; E104-P441 HydrophobicContact CG-CB 4.46Å; E104-R442 HydrophobicContact CG-CG 3.71Å; E104-R442 IonicContact OE1-CZ 3.53Å; E104-R442 IonicContact OE1-NE 2.93Å; E104-R442 PolarHBondContact OE1-NE 3.38Å; E104-R442 IonicContact OE1-NH2 3.71Å; E104-R442 PolarHBondContact OE1-NH2 2.94Å |
| 105 | H | 92.3 | Very high | 93.5 | Very high | 37 Ų | 37 | 41.1 Ų | 41.1 | 17% | 0.171 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72 | -4.9 | -177.5 | -50.2 | -66.1 | 0 | 0 | 0 | 115.1 | G103 V108 D130 H133 | G103-H105 PolarHBondContact O-N 3.14Å; H105-V108 PolarHBondContact N-O 3.39Å; H105-D130 WeakPolarHBondContact CB-OD1 3.37Å; H105-D130 PolarHBondContact CE1-N 3.38Å; H105-D130 IonicContact CE1-OD1 2.65Å; H105-D130 IonicContact CG-OD1 3.78Å; H105-D130 PolarHBondContact ND1-N 2.86Å; H105-D130 VanDerWaalsContact ND1-N 3.12Å; H105-D130 IonicContact ND1-OD1 3.55Å; H105-D130 PolarHBondContact ND1-OD1 3.46Å; H105-H133 AromaticContact NE2-ND1 3.65Å |
| 106 | R | 94.9 | Very high | 93.4 | Very high | 146 Ų | 146 | 35 Ų | 35 | 55% | 0.551 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -127.6 | -49 | -177.4 | 179.3 | 176.5 | 60.7 | 177.4 | -7.7 | 114 | G103 E104 K381 | G103-R106 PolarHBondContact O-N 3.17Å; G103-R106 VanDerWaalsContact O-N 3.1Å; E104-R106 PolarHBondContact O-N 3.4Å; R106-K381 WeakPolarHBondContact O-CE 3.32Å |
| 107 | L | 96.9 | Very high | 93.1 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -41.4 | 177.5 | -58.5 | -178.1 | 0 | 0 | 0 | 110.3 | R99 G103 L380 F383 | R99-L107 HydrophobicContact CG-CD1 4.32Å; G103-L107 PolarHBondContact O-N 3.42Å; L107-L380 PolarHBondContact O-N 3.02Å; L107-F383 HydrophobicContact CB-CD1 4.1Å; L107-F383 HydrophobicContact CB-CE1 4.11Å; L107-F383 HydrophobicContact CB-CG 4.43Å; L107-F383 HydrophobicContact CB-CZ 4.43Å; L107-F383 HydrophobicContact CD1-CD2 4.29Å; L107-F383 HydrophobicContact CD2-CB 4.05Å; L107-F383 HydrophobicContact CD2-CD1 4.42Å; L107-F383 HydrophobicContact CD2-CG 4.17Å |
| 108 | V | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 159.1 | -175.8 | -63.5 | 0 | 0 | 0 | 0 | 111.1 | I100 G103 E104 H105 R377 V378 F383 V396 | I100-V108 HydrophobicContact CD1-CG1 4.22Å; I100-V108 HydrophobicContact CG2-CG2 4.27Å; I100-V108 VanDerWaalsContact O-CG2 3.32Å; I100-V108 WeakPolarHBondContact O-CG2 3.37Å; G103-V108 PolarHBondContact O-N 3.5Å; E104-V108 CarbonylContact C-O 3.56Å; E104-V108 WeakPolarHBondContact CA-O 3.28Å; H105-V108 PolarHBondContact N-O 3.39Å; V108-R377 HydrophobicContact CB-CB 4.04Å; V108-R377 HydrophobicContact CB-CG 4.35Å; V108-R377 HydrophobicContact CG1-CB 4.42Å; V108-R377 HydrophobicContact CG2-CB 4.41Å; V108-R377 HydrophobicContact CG2-CG 4.17Å; V108-V378 CarbonylContact C-O 3.59Å; V108-V378 WeakPolarHBondContact CA-O 3.47Å; V108-F383 HydrophobicContact CG1-CE1 3.98Å; V108-F383 HydrophobicContact CG1-CZ 3.98Å; V108-V396 HydrophobicContact CG1-CG2 4.48Å |
| 109 | A | 95.7 | Very high | 92.9 | Very high | 8 Ų | 8 | 37.8 Ų | 37.8 | 7% | 0.066 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 148.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | R377 V378 L380 | A109-R377 VanDerWaalsContact C-CD 3.45Å; A109-R377 CarbonylContact O-C 3.47Å; A109-R377 WeakPolarHBondContact O-CA 3.31Å; A109-R377 WeakPolarHBondContact O-CD 3.4Å; A109-V378 HydrophobicContact CB-CG1 4.41Å; A109-V378 PolarHBondContact N-O 2.94Å; A109-V378 PolarHBondContact O-N 2.84Å; A109-L380 HydrophobicContact CB-CD1 4.15Å; A109-L380 HydrophobicContact CB-CD2 3.86Å; A109-L380 HydrophobicContact CB-CG 4.2Å |
| 110 | V | 92.4 | Very high | 92.6 | Very high | 11 Ų | 11 | 32.6 Ų | 32.6 | 7% | 0.067 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.9 | 140.3 | 165.5 | 71.3 | 0 | 0 | 0 | 0 | 110.7 | E104 H129 R442 | E104-V110 PolarHBondContact OE1-N 3.21Å; V110-H129 PolarHBondContact O-CE1 2.88Å; V110-R442 VanDerWaalsContact CG1-NH2 3.3Å |
| 111 | Q | 87.3 | Confident | 92.2 | Very high | 58 Ų | 58 | 32.8 Ų | 32.8 | 27% | 0.271 | 16% | 0.159 | S | C | . | . | trans | -141.7 | 104.7 | 171.8 | -173.4 | 166.1 | 38.5 | 0 | 0 | 109.2 | V378 | Q111-V378 HydrophobicContact CB-CB 4.33Å; Q111-V378 HydrophobicContact CB-CG1 4.13Å | ||
| 112 | W | 86.1 | Confident | 91.7 | Very high | 68 Ų | 68 | 36.4 Ų | 36.4 | 26% | 0.258 | 19% | 0.19 | S | C | . | . | trans | -82.2 | 150.8 | 172.6 | -69.4 | 102.6 | 0 | 0 | 0 | 111.1 | V116 R117 S126 F224 | W112-V116 HydrophobicContact CB-CB 4.11Å; W112-V116 HydrophobicContact CB-CG1 4.04Å; W112-V116 HydrophobicContact CD2-CG1 4.02Å; W112-V116 HydrophobicContact CE3-CB 4.37Å; W112-V116 HydrophobicContact CE3-CG1 3.8Å; W112-V116 HydrophobicContact CE3-CG2 4.22Å; W112-V116 HydrophobicContact CG-CG1 4.15Å; W112-R117 HydrophobicContact CB-CG 4Å; W112-S126 PolarHBondContact NE1-O 3.49Å; W112-F224 HydrophobicContact CZ3-CE1 4.34Å; W112-F224 AromaticContact CZ3-CZ 3.98Å; W112-F224 HydrophobicContact CZ3-CZ 3.98Å | ||
| 113 | P | 86.3 | Confident | 91.3 | Very high | 50 Ų | 50 | 33.9 Ų | 33.9 | 33% | 0.325 | 18% | 0.18 | S | C | . | . | trans | -53.6 | 152.9 | 169.4 | -24.7 | 34.5 | 0 | 0 | 0 | 112.1 | S115 V116 R117 F224 | P113-S115 VanDerWaalsContact C-N 3.28Å; P113-S115 PolarHBondContact O-N 3.47Å; P113-V116 HydrophobicContact CB-CG2 4.21Å; P113-V116 HydrophobicContact CG-CG2 4.13Å; P113-V116 PolarHBondContact O-N 3.26Å; P113-R117 PolarHBondContact O-N 3.07Å; P113-R117 VanDerWaalsContact O-N 3.13Å; P113-F224 HydrophobicContact CG-CD1 4.02Å; P113-F224 HydrophobicContact CG-CE1 4.2Å | ||
| 114 | A | 88.7 | Confident | 91 | Very high | 38 Ų | 38 | 33.9 Ų | 33.9 | 31% | 0.314 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -57.7 | -40.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R117 T118 P227 | A114-R117 PolarHBondContact O-N 2.89Å; A114-T118 PolarHBondContact O-N 2.88Å; A114-T118 PolarHBondContact O-OG1 3.33Å; A114-T118 VanDerWaalsContact O-OG1 3.11Å; A114-P227 HydrophobicContact CB-CB 3.97Å |
| 115 | S | 90.8 | Very high | 90.8 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.3 | -47.8 | 175.3 | 37.6 | 0 | 0 | 0 | 0 | 112.8 | P113 R117 T118 I119 L223 S225 | P113-S115 VanDerWaalsContact C-N 3.28Å; P113-S115 PolarHBondContact O-N 3.47Å; S115-R117 VanDerWaalsContact C-N 3.33Å; S115-R117 PolarHBondContact O-N 2.87Å; S115-T118 PolarHBondContact O-N 2.95Å; S115-I119 WeakPolarHBondContact O-CB 3.38Å; S115-I119 WeakPolarHBondContact O-CG1 3.32Å; S115-I119 PolarHBondContact O-N 3.17Å; S115-L223 CarbonylContact C-O 3.54Å; S115-L223 WeakPolarHBondContact CB-O 3.45Å; S115-L223 PolarHBondContact OG-O 3.14Å; S115-S225 WeakPolarHBondContact CB-O 3.45Å; S115-S225 PolarHBondContact OG-O 3.45Å |
| 116 | V | 89.8 | Confident | 90.7 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.6 | -45.2 | 176.3 | 178.7 | 0 | 0 | 0 | 0 | 111 | W112 P113 T118 I119 L120 L223 F224 | W112-V116 HydrophobicContact CB-CB 4.11Å; W112-V116 HydrophobicContact CB-CG1 4.04Å; W112-V116 HydrophobicContact CD2-CG1 4.02Å; W112-V116 HydrophobicContact CE3-CB 4.37Å; W112-V116 HydrophobicContact CE3-CG1 3.8Å; W112-V116 HydrophobicContact CE3-CG2 4.22Å; W112-V116 HydrophobicContact CG-CG1 4.15Å; P113-V116 HydrophobicContact CB-CG2 4.21Å; P113-V116 HydrophobicContact CG-CG2 4.13Å; P113-V116 PolarHBondContact O-N 3.26Å; V116-T118 VanDerWaalsContact C-N 3.35Å; V116-T118 PolarHBondContact O-N 3.3Å; V116-I119 PolarHBondContact O-N 2.85Å; V116-L120 HydrophobicContact CG1-CD1 3.74Å; V116-L120 HydrophobicContact CG1-CG 4.29Å; V116-L120 WeakPolarHBondContact O-CB 3.3Å; V116-L120 PolarHBondContact O-N 3.45Å; V116-L223 WeakPolarHBondContact CA-O 3.3Å; V116-L223 HydrophobicContact CG1-CD2 4.48Å; V116-L223 HydrophobicContact CG2-CB 4.28Å; V116-L223 WeakPolarHBondContact CG2-O 3.3Å; V116-L223 PolarHBondContact N-O 2.89Å; V116-F224 HydrophobicContact CG2-CD1 4.03Å; V116-F224 HydrophobicContact CG2-CE1 3.96Å; V116-F224 HydrophobicContact CG2-CG 4.38Å; V116-F224 HydrophobicContact CG2-CZ 4.25Å |
| 117 | R | 90.8 | Very high | 90.4 | Very high | 119 Ų | 119 | 27.2 Ų | 27.2 | 45% | 0.449 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -63.4 | -40.7 | 179.4 | -62.7 | -174 | -55.3 | -179 | 5.2 | 112.3 | W112 P113 A114 S115 G121 N127 | W112-R117 HydrophobicContact CB-CG 4Å; P113-R117 PolarHBondContact O-N 3.07Å; P113-R117 VanDerWaalsContact O-N 3.13Å; A114-R117 PolarHBondContact O-N 2.89Å; S115-R117 VanDerWaalsContact C-N 3.33Å; S115-R117 PolarHBondContact O-N 2.87Å; R117-G121 CarbonylContact O-C 3.58Å; R117-G121 VanDerWaalsContact O-C 3.28Å; R117-G121 WeakPolarHBondContact O-CA 3.34Å; R117-G121 PolarHBondContact O-N 3.04Å; R117-N127 WeakPolarHBondContact CG-OD1 3.42Å |
| 118 | T | 92.4 | Very high | 90.1 | Very high | 64 Ų | 64 | 28.3 Ų | 28.3 | 39% | 0.393 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -70.3 | -43.7 | 178.6 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | A114 S115 V116 L235 V239 R242 | A114-T118 PolarHBondContact O-N 2.88Å; A114-T118 PolarHBondContact O-OG1 3.33Å; A114-T118 VanDerWaalsContact O-OG1 3.11Å; S115-T118 PolarHBondContact O-N 2.95Å; V116-T118 VanDerWaalsContact C-N 3.35Å; V116-T118 PolarHBondContact O-N 3.3Å; T118-L235 HydrophobicContact CG2-CD1 4.02Å; T118-V239 HydrophobicContact CG2-CG2 3.96Å; T118-R242 PolarHBondContact O-NH1 3.18Å |
| 119 | I | 93.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -75.5 | -42.4 | -176.6 | -66.2 | 166.4 | 0 | 0 | 0 | 111.8 | S115 V116 M219 N222 L223 L235 V239 R242 | S115-I119 WeakPolarHBondContact O-CB 3.38Å; S115-I119 WeakPolarHBondContact O-CG1 3.32Å; S115-I119 PolarHBondContact O-N 3.17Å; V116-I119 PolarHBondContact O-N 2.85Å; I119-M219 HydrophobicContact CG2-CG 3.46Å; I119-M219 VanDerWaalsContact CG2-CG 3.46Å; I119-M219 HydrophobicContact CG2-SD 4.33Å; I119-N222 HydrophobicContact CD1-CB 4.3Å; I119-N222 WeakPolarHBondContact CD1-O 3.24Å; I119-L223 HydrophobicContact CB-CD2 3.95Å; I119-L223 HydrophobicContact CG2-CD2 3.66Å; I119-L235 HydrophobicContact CD1-CD1 3.92Å; I119-L235 HydrophobicContact CG1-CD1 3.76Å; I119-V239 HydrophobicContact CG1-CG2 4.18Å; I119-R242 WeakPolarHBondContact O-CD 3.25Å; I119-R242 WeakPolarHBondContact O-CG 3.37Å |
| 120 | L | 90.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -74.7 | -37.5 | 176.2 | -68 | 179.7 | 0 | 0 | 0 | 111.8 | V116 C124 L223 F301 | V116-L120 HydrophobicContact CG1-CD1 3.74Å; V116-L120 HydrophobicContact CG1-CG 4.29Å; V116-L120 WeakPolarHBondContact O-CB 3.3Å; V116-L120 PolarHBondContact O-N 3.45Å; L120-C124 VanDerWaalsContact C-SG 3.55Å; L120-C124 PolarHBondContact O-SG 2.97Å; L120-L223 HydrophobicContact CD1-CD2 4.33Å; L120-L223 HydrophobicContact CD2-CD2 3.81Å; L120-L223 HydrophobicContact CG-CD2 3.67Å; L120-F301 HydrophobicContact CD1-CD1 4.19Å; L120-F301 HydrophobicContact CD1-CE1 4.33Å; L120-F301 HydrophobicContact CD2-CB 4.38Å; L120-F301 HydrophobicContact CD2-CD1 4.38Å; L120-F301 HydrophobicContact CD2-CG 4.26Å |
| 121 | G | 88.8 | Confident | 89.5 | Confident | 3 Ų | 3 | 39 Ų | 39 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | trans | 113 | 146.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R117 G123 C124 N127 | R117-G121 CarbonylContact O-C 3.58Å; R117-G121 VanDerWaalsContact O-C 3.28Å; R117-G121 WeakPolarHBondContact O-CA 3.34Å; R117-G121 PolarHBondContact O-N 3.04Å; G121-G123 VanDerWaalsContact C-N 3.3Å; G121-G123 PolarHBondContact O-N 2.86Å; G121-C124 PolarHBondContact O-N 3.38Å; G121-N127 PolarHBondContact O-ND2 3Å | ||
| 122 | A | 86.3 | Confident | 89.6 | Confident | 78 Ų | 78 | 38.3 Ų | 38.3 | 65% | 0.645 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -23.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 123 | G | 86.9 | Confident | 89.9 | Confident | 15 Ų | 15 | 35.3 Ų | 35.3 | 16% | 0.155 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 2.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | G121 L128 E294 | G121-G123 VanDerWaalsContact C-N 3.3Å; G121-G123 PolarHBondContact O-N 2.86Å; G123-L128 WeakPolarHBondContact O-CD1 3.46Å; G123-E294 VanDerWaalsContact C-OE2 3.28Å; G123-E294 WeakPolarHBondContact CA-OE2 3.49Å; G123-E294 PolarHBondContact N-OE2 3.44Å |
| 124 | C | 89.8 | Confident | 90.2 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -60.3 | 143.5 | 168.1 | -68.3 | 0 | 0 | 0 | 0 | 111.1 | L120 G121 S126 N127 L128 E294 E298 | L120-C124 VanDerWaalsContact C-SG 3.55Å; L120-C124 PolarHBondContact O-SG 2.97Å; G121-C124 PolarHBondContact O-N 3.38Å; C124-S126 PolarHBondContact O-N 3.45Å; C124-S126 VanDerWaalsContact O-N 3.15Å; C124-N127 CarbonylContact O-C 3.58Å; C124-N127 WeakPolarHBondContact O-CA 3.19Å; C124-N127 PolarHBondContact O-N 2.93Å; C124-L128 WeakPolarHBondContact O-CG 3.16Å; C124-L128 PolarHBondContact O-N 3.46Å; C124-E294 PolarHBondContact SG-O 3.48Å; C124-E298 HydrophobicContact CB-CB 4.37Å |
| 125 | L | 90.7 | Very high | 90.2 | Very high | 13 Ų | 13 | 41.8 Ų | 41.8 | 7% | 0.068 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -40.9 | 179.3 | -175.2 | 68.5 | 0 | 0 | 0 | 112.7 | N127 L128 H133 R136 K137 I140 E298 R442 V445 | L125-N127 PolarHBondContact O-N 3.24Å; L125-L128 PolarHBondContact O-N 3.08Å; L125-H133 WeakPolarHBondContact CD1-CD2 3.23Å; L125-H133 WeakPolarHBondContact CD1-O 3.44Å; L125-H133 PolarHBondContact O-CD2 3.39Å; L125-H133 VanDerWaalsContact O-CD2 3.27Å; L125-R136 HydrophobicContact CB-CG 4.27Å; L125-R136 HydrophobicContact CD1-CB 3.73Å; L125-R136 HydrophobicContact CD1-CG 3.76Å; L125-K137 HydrophobicContact CD1-CB 3.81Å; L125-K137 HydrophobicContact CD2-CB 4.38Å; L125-I140 HydrophobicContact CB-CD1 4.1Å; L125-I140 HydrophobicContact CD2-CD1 4.05Å; L125-I140 HydrophobicContact CG-CD1 4.47Å; L125-E298 WeakPolarHBondContact CA-OE2 3.42Å; L125-E298 WeakPolarHBondContact CB-OE2 3.27Å; L125-E298 PolarHBondContact N-OE1 3.36Å; L125-E298 PolarHBondContact N-OE2 3.42Å; L125-R442 PolarHBondContact O-NH1 2.91Å; L125-V445 HydrophobicContact CD2-CG1 3.8Å |
| 126 | S | 88.6 | Confident | 90.2 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 15% | 0.154 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -26.3 | 176.9 | 48.8 | 0 | 0 | 0 | 0 | 113.7 | W112 C124 E298 | W112-S126 PolarHBondContact NE1-O 3.49Å; C124-S126 PolarHBondContact O-N 3.45Å; C124-S126 VanDerWaalsContact O-N 3.15Å; S126-E298 WeakPolarHBondContact CA-OE1 3.38Å; S126-E298 WeakPolarHBondContact CB-OE1 3.28Å; S126-E298 PolarHBondContact N-OE1 3.19Å; S126-E298 PolarHBondContact OG-OE1 3.49Å |
| 127 | N | 89.6 | Confident | 90.3 | Very high | 15 Ų | 15 | 44.6 Ų | 44.6 | 8% | 0.08 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -18.6 | -179.9 | -65.9 | -33.1 | 0 | 0 | 0 | 113.5 | R117 G121 C124 L125 H129 | R117-N127 WeakPolarHBondContact CG-OD1 3.42Å; G121-N127 PolarHBondContact O-ND2 3Å; C124-N127 CarbonylContact O-C 3.58Å; C124-N127 WeakPolarHBondContact O-CA 3.19Å; C124-N127 PolarHBondContact O-N 2.93Å; L125-N127 PolarHBondContact O-N 3.24Å; N127-H129 PolarHBondContact O-CD2 3.29Å; N127-H129 PolarHBondContact O-NE2 3.04Å |
| 128 | L | 91.1 | Very high | 90.2 | Very high | 28 Ų | 28 | 44.1 Ų | 44.1 | 15% | 0.147 | 25% | 0.245 | C | C | . | . | trans | -69.4 | 156.7 | 174 | -69.5 | 179.4 | 0 | 0 | 0 | 111.9 | G123 C124 L125 H133 R136 R442 | G123-L128 WeakPolarHBondContact O-CD1 3.46Å; C124-L128 WeakPolarHBondContact O-CG 3.16Å; C124-L128 PolarHBondContact O-N 3.46Å; L125-L128 PolarHBondContact O-N 3.08Å; L128-H133 HydrophobicContact CB-CB 3.98Å; L128-R136 HydrophobicContact CD1-CB 3.62Å; L128-R136 HydrophobicContact CD1-CG 3.87Å; L128-R442 VanDerWaalsContact O-CZ 3.23Å; L128-R442 PolarHBondContact O-NH1 3.46Å; L128-R442 PolarHBondContact O-NH2 3.2Å | ||
| 129 | H | 91.3 | Very high | 90 | Very high | 69 Ų | 69 | 41.2 Ų | 41.2 | 32% | 0.319 | 23% | 0.227 | S | C | . | . | trans | -132.2 | 160.8 | 179.4 | -66.8 | -83.4 | 0 | 0 | 0 | 112.5 | V110 N127 S131 S132 H133 R442 | V110-H129 PolarHBondContact O-CE1 2.88Å; N127-H129 PolarHBondContact O-CD2 3.29Å; N127-H129 PolarHBondContact O-NE2 3.04Å; H129-S131 PolarHBondContact O-N 2.88Å; H129-S132 PolarHBondContact N-OG 3.42Å; H129-S132 PolarHBondContact O-N 3.31Å; H129-S132 PolarHBondContact O-OG 2.84Å; H129-H133 PolarHBondContact O-N 3.45Å; H129-H133 VanDerWaalsContact O-N 3.12Å; H129-R442 PolarHBondContact ND1-NH2 3.47Å | ||
| 130 | D | 89.6 | Confident | 89.9 | Confident | 81 Ų | 81 | 41.3 Ų | 41.3 | 43% | 0.433 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | 49.5 | -123.5 | 170.9 | -49.6 | -34.8 | 0 | 0 | 0 | 113.9 | H105 H133 K134 | H105-D130 WeakPolarHBondContact CB-OD1 3.37Å; H105-D130 PolarHBondContact CE1-N 3.38Å; H105-D130 IonicContact CE1-OD1 2.65Å; H105-D130 IonicContact CG-OD1 3.78Å; H105-D130 PolarHBondContact ND1-N 2.86Å; H105-D130 VanDerWaalsContact ND1-N 3.12Å; H105-D130 IonicContact ND1-OD1 3.55Å; H105-D130 PolarHBondContact ND1-OD1 3.46Å; D130-H133 PolarHBondContact O-N 3.44Å; D130-K134 WeakPolarHBondContact O-CG 3.13Å; D130-K134 PolarHBondContact O-N 3.19Å; D130-K134 VanDerWaalsContact O-N 3.12Å |
| 131 | S | 90.3 | Very high | 90 | Very high | 92 Ų | 92 | 44.7 Ų | 44.7 | 64% | 0.643 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -63.2 | -43.3 | -179.2 | 51.2 | 0 | 0 | 0 | 0 | 112.4 | H129 H133 K134 Q135 | H129-S131 PolarHBondContact O-N 2.88Å; S131-H133 VanDerWaalsContact C-N 3.31Å; S131-H133 PolarHBondContact O-N 2.96Å; S131-K134 PolarHBondContact O-N 2.86Å; S131-K134 VanDerWaalsContact O-N 3.14Å; S131-Q135 WeakPolarHBondContact O-CB 3.25Å; S131-Q135 PolarHBondContact O-N 3.42Å |
| 132 | S | 90.4 | Very high | 89.9 | Confident | 45 Ų | 45 | 47.8 Ų | 47.8 | 32% | 0.315 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.5 | -41.5 | -179.9 | 67.2 | 0 | 0 | 0 | 0 | 111.8 | H129 R136 | H129-S132 PolarHBondContact N-OG 3.42Å; H129-S132 PolarHBondContact O-N 3.31Å; H129-S132 PolarHBondContact O-OG 2.84Å; S132-R136 WeakPolarHBondContact O-CB 3.4Å; S132-R136 PolarHBondContact O-N 2.68Å |
| 133 | H | 93.3 | Very high | 90.1 | Very high | 5 Ų | 5 | 44 Ų | 44 | 2% | 0.023 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.2 | -47.9 | 173.5 | 170.8 | -104 | 0 | 0 | 0 | 111.8 | H105 L125 L128 H129 D130 S131 Q135 R136 K137 P441 R442 | H105-H133 AromaticContact NE2-ND1 3.65Å; L125-H133 WeakPolarHBondContact CD1-CD2 3.23Å; L125-H133 WeakPolarHBondContact CD1-O 3.44Å; L125-H133 PolarHBondContact O-CD2 3.39Å; L125-H133 VanDerWaalsContact O-CD2 3.27Å; L128-H133 HydrophobicContact CB-CB 3.98Å; H129-H133 PolarHBondContact O-N 3.45Å; H129-H133 VanDerWaalsContact O-N 3.12Å; D130-H133 PolarHBondContact O-N 3.44Å; S131-H133 VanDerWaalsContact C-N 3.31Å; S131-H133 PolarHBondContact O-N 2.96Å; H133-Q135 VanDerWaalsContact C-N 3.33Å; H133-Q135 PolarHBondContact O-N 2.69Å; H133-R136 PolarHBondContact O-N 2.72Å; H133-K137 VanDerWaalsContact O-CB 3.23Å; H133-K137 WeakPolarHBondContact O-CB 3.46Å; H133-K137 PolarHBondContact O-N 3.4Å; H133-P441 PolarHBondContact CE1-O 3.36Å; H133-R442 PolarHBondContact CD2-NH1 3.19Å; H133-R442 WeakPolarHBondContact NE2-CD 3.28Å; H133-R442 PolarHBondContact NE2-NH1 3.02Å |
| 134 | K | 91.3 | Very high | 90.4 | Very high | 133 Ų | 133 | 44 Ų | 44 | 58% | 0.578 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -60 | -43.5 | 180 | -72.7 | 175.4 | -176.8 | 180 | 0 | 111.9 | D130 S131 K138 | D130-K134 WeakPolarHBondContact O-CG 3.13Å; D130-K134 PolarHBondContact O-N 3.19Å; D130-K134 VanDerWaalsContact O-N 3.12Å; S131-K134 PolarHBondContact O-N 2.86Å; S131-K134 VanDerWaalsContact O-N 3.14Å; K134-K138 PolarHBondContact O-N 3.02Å |
| 135 | Q | 88.9 | Confident | 90.5 | Very high | 91 Ų | 91 | 46.2 Ų | 46.2 | 43% | 0.425 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.8 | -52.8 | 179.1 | -170.5 | 178.4 | 16.8 | 0 | 0 | 111 | S131 H133 K137 K138 V139 E285 | S131-Q135 WeakPolarHBondContact O-CB 3.25Å; S131-Q135 PolarHBondContact O-N 3.42Å; H133-Q135 VanDerWaalsContact C-N 3.33Å; H133-Q135 PolarHBondContact O-N 2.69Å; Q135-K137 VanDerWaalsContact C-N 3.31Å; Q135-K137 PolarHBondContact O-N 2.82Å; Q135-K138 WeakPolarHBondContact O-CB 3.25Å; Q135-K138 PolarHBondContact O-N 3.46Å; Q135-K138 VanDerWaalsContact O-N 3.13Å; Q135-V139 PolarHBondContact O-N 3.2Å; Q135-E285 WeakPolarHBondContact CG-OE1 3.43Å; Q135-E285 VanDerWaalsContact NE2-CG 3.32Å; Q135-E285 PolarHBondContact NE2-OE1 2.92Å |
| 136 | R | 90.3 | Very high | 90.5 | Very high | 32 Ų | 32 | 50.8 Ų | 50.8 | 12% | 0.121 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.4 | -43.3 | 177.7 | -175.1 | 62.9 | 61.2 | 134.7 | 8.6 | 112 | L125 L128 S132 H133 K138 V139 I140 A291 S295 | L125-R136 HydrophobicContact CB-CG 4.27Å; L125-R136 HydrophobicContact CD1-CB 3.73Å; L125-R136 HydrophobicContact CD1-CG 3.76Å; L128-R136 HydrophobicContact CD1-CB 3.62Å; L128-R136 HydrophobicContact CD1-CG 3.87Å; S132-R136 WeakPolarHBondContact O-CB 3.4Å; S132-R136 PolarHBondContact O-N 2.68Å; H133-R136 PolarHBondContact O-N 2.72Å; R136-K138 VanDerWaalsContact C-N 3.31Å; R136-K138 PolarHBondContact O-N 2.72Å; R136-V139 PolarHBondContact O-N 3.43Å; R136-I140 HydrophobicContact CG-CD1 3.77Å; R136-I140 WeakPolarHBondContact O-CG1 3.21Å; R136-I140 PolarHBondContact O-N 2.84Å; R136-A291 PolarHBondContact NH1-O 3.45Å; R136-A291 VanDerWaalsContact NH2-CB 3.31Å; R136-S295 PolarHBondContact NH1-OG 3Å |
| 137 | K | 92.3 | Very high | 90.6 | Very high | 30 Ų | 30 | 55.7 Ų | 55.7 | 13% | 0.13 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.8 | -43.7 | 177.5 | -175.5 | 162.7 | 172.3 | 163.1 | 0 | 111.3 | L125 H133 Q135 V139 I140 M141 P441 S443 V445 | L125-K137 HydrophobicContact CD1-CB 3.81Å; L125-K137 HydrophobicContact CD2-CB 4.38Å; H133-K137 VanDerWaalsContact O-CB 3.23Å; H133-K137 WeakPolarHBondContact O-CB 3.46Å; H133-K137 PolarHBondContact O-N 3.4Å; Q135-K137 VanDerWaalsContact C-N 3.31Å; Q135-K137 PolarHBondContact O-N 2.82Å; K137-V139 VanDerWaalsContact C-N 3.31Å; K137-V139 PolarHBondContact O-N 2.86Å; K137-I140 PolarHBondContact O-N 3.19Å; K137-M141 HydrophobicContact CG-CG 4.13Å; K137-M141 WeakPolarHBondContact O-CB 3.27Å; K137-M141 WeakPolarHBondContact O-CG 3.23Å; K137-M141 PolarHBondContact O-N 3.48Å; K137-P441 PolarHBondContact NZ-O 3.27Å; K137-S443 PolarHBondContact NZ-O 3.09Å; K137-S443 PolarHBondContact NZ-OG 2.91Å; K137-V445 HydrophobicContact CD-CG1 4.13Å; K137-V445 HydrophobicContact CG-CG1 3.79Å |
| 138 | K | 89.5 | Confident | 90.8 | Very high | 110 Ų | 110 | 55.3 Ų | 55.3 | 48% | 0.478 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.1 | -40.4 | -178.9 | -175.2 | 177.1 | 176.8 | -175.4 | 0 | 112 | K134 Q135 R136 | K134-K138 PolarHBondContact O-N 3.02Å; Q135-K138 WeakPolarHBondContact O-CB 3.25Å; Q135-K138 PolarHBondContact O-N 3.46Å; Q135-K138 VanDerWaalsContact O-N 3.13Å; R136-K138 VanDerWaalsContact C-N 3.31Å; R136-K138 PolarHBondContact O-N 2.72Å |
| 139 | V | 88.6 | Confident | 90.9 | Very high | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.4 | -50.4 | 176.1 | -178.6 | 0 | 0 | 0 | 0 | 110.4 | Q135 R136 K137 M141 Q142 L276 L287 | Q135-V139 PolarHBondContact O-N 3.2Å; R136-V139 PolarHBondContact O-N 3.43Å; K137-V139 VanDerWaalsContact C-N 3.31Å; K137-V139 PolarHBondContact O-N 2.86Å; V139-M141 VanDerWaalsContact C-N 3.29Å; V139-M141 PolarHBondContact O-N 3.33Å; V139-Q142 WeakPolarHBondContact O-CB 3.5Å; V139-Q142 PolarHBondContact O-N 3.29Å; V139-Q142 VanDerWaalsContact O-N 3.11Å; V139-L276 HydrophobicContact CG1-CD2 3.87Å; V139-L287 HydrophobicContact CG1-CD1 4.46Å |
| 140 | I | 90.4 | Very high | 91 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.1 | -37 | 179.9 | -68.3 | 168.6 | 0 | 0 | 0 | 112.8 | L125 R136 K137 Q142 A143 F144 L276 L299 V445 | L125-I140 HydrophobicContact CB-CD1 4.1Å; L125-I140 HydrophobicContact CD2-CD1 4.05Å; L125-I140 HydrophobicContact CG-CD1 4.47Å; R136-I140 HydrophobicContact CG-CD1 3.77Å; R136-I140 WeakPolarHBondContact O-CG1 3.21Å; R136-I140 PolarHBondContact O-N 2.84Å; K137-I140 PolarHBondContact O-N 3.19Å; I140-Q142 PolarHBondContact O-N 3.2Å; I140-A143 WeakPolarHBondContact O-CB 3.28Å; I140-A143 PolarHBondContact O-N 3.46Å; I140-A143 VanDerWaalsContact O-N 3.16Å; I140-F144 HydrophobicContact CG2-CD2 4.41Å; I140-F144 HydrophobicContact CG2-CE2 3.9Å; I140-F144 WeakPolarHBondContact O-CD2 3.49Å; I140-L276 HydrophobicContact CB-CD2 4.26Å; I140-L276 HydrophobicContact CG1-CD2 3.76Å; I140-L299 HydrophobicContact CG2-CD2 3.89Å; I140-V445 HydrophobicContact CG2-CB 4.22Å; I140-V445 HydrophobicContact CG2-CG2 3.91Å |
| 141 | M | 91.2 | Very high | 91.1 | Very high | 73 Ų | 73 | 53.8 Ų | 53.8 | 36% | 0.36 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -62.2 | -21.7 | 179 | -77.2 | -65.8 | -51.5 | 0 | 0 | 113.8 | K137 V139 A143 F144 V445 | K137-M141 HydrophobicContact CG-CG 4.13Å; K137-M141 WeakPolarHBondContact O-CB 3.27Å; K137-M141 WeakPolarHBondContact O-CG 3.23Å; K137-M141 PolarHBondContact O-N 3.48Å; V139-M141 VanDerWaalsContact C-N 3.29Å; V139-M141 PolarHBondContact O-N 3.33Å; M141-A143 VanDerWaalsContact C-N 3.29Å; M141-A143 PolarHBondContact O-N 2.9Å; M141-F144 PolarHBondContact O-N 3.45Å; M141-V445 HydrophobicContact CG-CG1 4.25Å; M141-V445 VanDerWaalsContact SD-CA 3.55Å; M141-V445 HydrophobicContact SD-CB 3.68Å; M141-V445 HydrophobicContact SD-CG1 3.81Å |
| 142 | Q | 88.8 | Confident | 91.3 | Very high | 67 Ų | 67 | 49.7 Ų | 49.7 | 31% | 0.313 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -67.9 | -32 | 177 | -60.6 | -50.9 | -52.2 | 0 | 0 | 112.2 | V139 I140 F144 N145 H279 | V139-Q142 WeakPolarHBondContact O-CB 3.5Å; V139-Q142 PolarHBondContact O-N 3.29Å; V139-Q142 VanDerWaalsContact O-N 3.11Å; I140-Q142 PolarHBondContact O-N 3.2Å; Q142-F144 PolarHBondContact O-N 3.4Å; Q142-N145 PolarHBondContact O-N 3.15Å; Q142-N145 PolarHBondContact O-ND2 3.04Å; Q142-H279 WeakPolarHBondContact CB-CD2 3.26Å |
| 143 | A | 90.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -67.6 | -4.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I140 M141 Y152 A272 L275 | I140-A143 WeakPolarHBondContact O-CB 3.28Å; I140-A143 PolarHBondContact O-N 3.46Å; I140-A143 VanDerWaalsContact O-N 3.16Å; M141-A143 VanDerWaalsContact C-N 3.29Å; M141-A143 PolarHBondContact O-N 2.9Å; A143-Y152 WeakPolarHBondContact O-CE2 3.36Å; A143-Y152 PolarHBondContact O-OH 3.09Å; A143-A272 HydrophobicContact CB-CB 3.62Å; A143-L275 HydrophobicContact CB-CB 4.4Å; A143-L275 HydrophobicContact CB-CD1 4.46Å |
| 144 | F | 92 | Very high | 91.5 | Very high | 14 Ų | 14 | 51.1 Ų | 51.1 | 6% | 0.061 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -130.4 | 23.3 | -179.1 | -54.2 | -64 | 0 | 0 | 0 | 112.2 | I140 M141 Q142 L193 L299 V445 F449 | I140-F144 HydrophobicContact CG2-CD2 4.41Å; I140-F144 HydrophobicContact CG2-CE2 3.9Å; I140-F144 WeakPolarHBondContact O-CD2 3.49Å; M141-F144 PolarHBondContact O-N 3.45Å; Q142-F144 PolarHBondContact O-N 3.4Å; F144-L193 HydrophobicContact CE1-CD2 3.84Å; F144-L193 HydrophobicContact CZ-CD2 3.97Å; F144-L299 HydrophobicContact CE2-CD2 3.79Å; F144-L299 HydrophobicContact CZ-CD2 3.75Å; F144-V445 HydrophobicContact CE2-CG2 4.4Å; F144-F449 HydrophobicContact CD1-CB 3.7Å; F144-F449 HydrophobicContact CD1-CG 4.18Å; F144-F449 HydrophobicContact CE1-CB 4.1Å; F144-F449 HydrophobicContact CE1-CG 4.16Å |
| 145 | N | 91.4 | Very high | 91.5 | Very high | 47 Ų | 47 | 46.1 Ų | 46.1 | 25% | 0.251 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -71.5 | 172.7 | 170.2 | 68.9 | 20.6 | 0 | 0 | 0 | 111.1 | Q142 E147 A148 L149 | Q142-N145 PolarHBondContact O-N 3.15Å; Q142-N145 PolarHBondContact O-ND2 3.04Å; N145-E147 VanDerWaalsContact C-N 3.29Å; N145-E147 PolarHBondContact O-N 3.45Å; N145-E147 PolarHBondContact OD1-N 3.23Å; N145-E147 PolarHBondContact OD1-OE2 3.03Å; N145-A148 PolarHBondContact O-N 3.31Å; N145-A148 WeakPolarHBondContact OD1-CB 3.35Å; N145-A148 PolarHBondContact OD1-N 3.34Å; N145-L149 VanDerWaalsContact O-CG 3.24Å; N145-L149 WeakPolarHBondContact O-CG 3.41Å; N145-L149 PolarHBondContact O-N 3.42Å |
| 146 | R | 92.1 | Very high | 91.8 | Very high | 109 Ų | 109 | 41.8 Ų | 41.8 | 41% | 0.411 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.5 | -41.5 | -173.6 | -178.4 | -176.8 | -176.9 | 79.7 | -2 | 111.5 | L149 Q150 E353 | R146-L149 PolarHBondContact O-N 2.69Å; R146-Q150 PolarHBondContact O-N 3.4Å; R146-E353 IonicContact CZ-OE1 3.38Å; R146-E353 IonicContact CZ-OE2 2.74Å; R146-E353 IonicContact NH1-OE1 2.66Å; R146-E353 PolarHBondContact NH1-OE1 2.97Å; R146-E353 IonicContact NH1-OE2 3.94Å; R146-E353 IonicContact NH2-OE1 3.61Å; R146-E353 IonicContact NH2-OE2 3.33Å; R146-E353 PolarHBondContact NH2-OE2 3.26Å |
| 147 | E | 91.1 | Very high | 92 | Very high | 124 Ų | 124 | 41.3 Ų | 41.3 | 58% | 0.579 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -64.3 | -47.2 | -176.9 | -62 | 69.7 | -151.6 | 0 | 0 | 110.6 | N145 Q150 C151 | N145-E147 VanDerWaalsContact C-N 3.29Å; N145-E147 PolarHBondContact O-N 3.45Å; N145-E147 PolarHBondContact OD1-N 3.23Å; N145-E147 PolarHBondContact OD1-OE2 3.03Å; E147-Q150 PolarHBondContact O-N 2.76Å; E147-C151 PolarHBondContact O-N 2.94Å |
| 148 | A | 92.2 | Very high | 92 | Very high | 7 Ų | 7 | 44.8 Ų | 44.8 | 6% | 0.058 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N145 Q150 C151 Y152 L275 | N145-A148 PolarHBondContact O-N 3.31Å; N145-A148 WeakPolarHBondContact OD1-CB 3.35Å; N145-A148 PolarHBondContact OD1-N 3.34Å; A148-Q150 VanDerWaalsContact C-N 3.29Å; A148-Q150 PolarHBondContact O-N 3.4Å; A148-C151 VanDerWaalsContact O-CB 3.3Å; A148-C151 WeakPolarHBondContact O-CB 3.06Å; A148-C151 PolarHBondContact O-N 2.91Å; A148-C151 VanDerWaalsContact O-N 3.1Å; A148-Y152 HydrophobicContact CB-CE2 4.13Å; A148-Y152 VanDerWaalsContact O-CD1 3.23Å; A148-Y152 WeakPolarHBondContact O-CD1 3.46Å; A148-Y152 WeakPolarHBondContact O-CD2 3.43Å; A148-Y152 PolarHBondContact O-N 3.47Å; A148-Y152 VanDerWaalsContact O-N 3.12Å; A148-L275 HydrophobicContact CB-CD1 3.69Å |
| 149 | L | 94.5 | Very high | 92.3 | Very high | 7 Ų | 7 | 40.2 Ų | 40.2 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.8 | -37.8 | 178 | -69 | 177.5 | 0 | 0 | 0 | 112.4 | N145 R146 C151 Y152 V153 M349 E448 F449 V452 | N145-L149 VanDerWaalsContact O-CG 3.24Å; N145-L149 WeakPolarHBondContact O-CG 3.41Å; N145-L149 PolarHBondContact O-N 3.42Å; R146-L149 PolarHBondContact O-N 2.69Å; L149-C151 VanDerWaalsContact C-N 3.28Å; L149-C151 PolarHBondContact O-N 3.03Å; L149-Y152 HydrophobicContact CD2-CD2 4.1Å; L149-Y152 WeakPolarHBondContact O-CB 3.03Å; L149-Y152 PolarHBondContact O-N 2.65Å; L149-V153 WeakPolarHBondContact O-CG2 3.48Å; L149-V153 PolarHBondContact O-N 2.97Å; L149-M349 HydrophobicContact CB-CE 4.28Å; L149-M349 HydrophobicContact CB-SD 4.2Å; L149-E448 HydrophobicContact CD1-CB 3.84Å; L149-F449 HydrophobicContact CD2-CB 3.79Å; L149-F449 HydrophobicContact CD2-CD2 4.02Å; L149-F449 HydrophobicContact CD2-CG 4.43Å; L149-V452 HydrophobicContact CD1-CG2 4.38Å |
| 150 | Q | 92.9 | Very high | 92.6 | Very high | 110 Ų | 110 | 40 Ų | 40 | 51% | 0.514 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.8 | -38.4 | 176 | -176.7 | 168.1 | -6.1 | 0 | 0 | 112 | R146 E147 A148 Y152 M349 | R146-Q150 PolarHBondContact O-N 3.4Å; E147-Q150 PolarHBondContact O-N 2.76Å; A148-Q150 VanDerWaalsContact C-N 3.29Å; A148-Q150 PolarHBondContact O-N 3.4Å; Q150-Y152 VanDerWaalsContact C-N 3.27Å; Q150-Y152 PolarHBondContact O-N 2.86Å; Q150-M349 HydrophobicContact CB-CG 3.91Å; Q150-M349 HydrophobicContact CG-CG 4.35Å |
| 151 | C | 91.8 | Very high | 92.8 | Very high | 30 Ų | 30 | 40.9 Ų | 40.9 | 20% | 0.203 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.9 | -28.2 | 172.7 | -88.5 | 0 | 0 | 0 | 0 | 113.7 | E147 A148 L149 P154 C269 | E147-C151 PolarHBondContact O-N 2.94Å; A148-C151 VanDerWaalsContact O-CB 3.3Å; A148-C151 WeakPolarHBondContact O-CB 3.06Å; A148-C151 PolarHBondContact O-N 2.91Å; A148-C151 VanDerWaalsContact O-N 3.1Å; L149-C151 VanDerWaalsContact C-N 3.28Å; L149-C151 PolarHBondContact O-N 3.03Å; C151-P154 WeakPolarHBondContact O-CD 3.46Å; C151-P154 WeakPolarHBondContact O-CG 3.43Å; C151-C269 WeakPolarHBondContact CA-SG 3.5Å; C151-C269 HydrophobicContact CB-CB 3.49Å; C151-C269 VanDerWaalsContact CB-CB 3.49Å; C151-C269 WeakPolarHBondContact CB-SG 3.34Å; C151-C269 WeakPolarHBondContact SG-CA 3.36Å; C151-C269 WeakPolarHBondContact SG-CB 3.39Å; C151-C269 CovalentContact SG-SG 2.05Å; C151-C269 PolarHBondContact SG-SG 3.27Å |
| 152 | Y | 94.6 | Very high | 92.9 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 2% | 0.024 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -81.2 | -26.4 | -177.5 | -60.8 | -14.4 | 0 | 0 | 0 | 113.4 | A143 A148 L149 Q150 V155 I156 I192 K270 A272 F449 | A143-Y152 WeakPolarHBondContact O-CE2 3.36Å; A143-Y152 PolarHBondContact O-OH 3.09Å; A148-Y152 HydrophobicContact CB-CE2 4.13Å; A148-Y152 VanDerWaalsContact O-CD1 3.23Å; A148-Y152 WeakPolarHBondContact O-CD1 3.46Å; A148-Y152 WeakPolarHBondContact O-CD2 3.43Å; A148-Y152 PolarHBondContact O-N 3.47Å; A148-Y152 VanDerWaalsContact O-N 3.12Å; L149-Y152 HydrophobicContact CD2-CD2 4.1Å; L149-Y152 WeakPolarHBondContact O-CB 3.03Å; L149-Y152 PolarHBondContact O-N 2.65Å; Q150-Y152 VanDerWaalsContact C-N 3.27Å; Q150-Y152 PolarHBondContact O-N 2.86Å; Y152-V155 PolarHBondContact O-N 2.97Å; Y152-I156 VanDerWaalsContact O-CG1 3.29Å; Y152-I156 WeakPolarHBondContact O-CG1 3.35Å; Y152-I156 PolarHBondContact O-N 3.37Å; Y152-I192 HydrophobicContact CD1-CG2 3.62Å; Y152-I192 HydrophobicContact CD2-CG2 3.44Å; Y152-I192 VanDerWaalsContact CD2-CG2 3.44Å; Y152-I192 HydrophobicContact CE1-CG2 3.79Å; Y152-I192 HydrophobicContact CE2-CG2 3.61Å; Y152-I192 HydrophobicContact CG-CG2 3.46Å; Y152-I192 VanDerWaalsContact CG-CG2 3.46Å; Y152-K270 WeakPolarHBondContact CE1-O 3.49Å; Y152-A272 PolarHBondContact OH-N 2.97Å; Y152-F449 AromaticContact CD2-CD2 3.99Å; Y152-F449 HydrophobicContact CD2-CD2 3.99Å; Y152-F449 HydrophobicContact CD2-CE2 4.17Å |
| 153 | V | 94.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -49.6 | -53.4 | -179.2 | 178.5 | 0 | 0 | 0 | 0 | 113.8 | L149 V155 I156 A157 L347 M349 L352 V452 I456 | L149-V153 WeakPolarHBondContact O-CG2 3.48Å; L149-V153 PolarHBondContact O-N 2.97Å; V153-V155 VanDerWaalsContact C-N 3.35Å; V153-V155 PolarHBondContact O-N 2.93Å; V153-I156 PolarHBondContact O-N 3.3Å; V153-A157 WeakPolarHBondContact O-CB 3.39Å; V153-A157 PolarHBondContact O-N 3.19Å; V153-L347 HydrophobicContact CG1-CB 3.88Å; V153-L347 WeakPolarHBondContact CG1-O 2.87Å; V153-M349 HydrophobicContact CG2-CG 4.04Å; V153-M349 HydrophobicContact CG2-SD 3.89Å; V153-L352 HydrophobicContact CG1-CD1 4.24Å; V153-L352 HydrophobicContact CG2-CD1 3.96Å; V153-V452 HydrophobicContact CG2-CG1 4.15Å; V153-I456 HydrophobicContact CB-CD1 4.18Å; V153-I456 HydrophobicContact CG1-CD1 3.85Å; V153-I456 HydrophobicContact CG1-CG1 4.49Å; V153-I456 HydrophobicContact CG2-CD1 4.21Å |
| 154 | P | 92 | Very high | 93.4 | Very high | 77 Ų | 77 | 36.8 Ų | 36.8 | 50% | 0.5 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.1 | -39.4 | -178.2 | 23.5 | -34.4 | 0 | 0 | 0 | 112.8 | C151 A157 E158 | C151-P154 WeakPolarHBondContact O-CD 3.46Å; C151-P154 WeakPolarHBondContact O-CG 3.43Å; P154-A157 PolarHBondContact O-N 3.45Å; P154-E158 WeakPolarHBondContact O-CB 3.47Å; P154-E158 PolarHBondContact O-N 3.02Å |
| 155 | V | 92.5 | Very high | 93.5 | Very high | 29 Ų | 29 | 42.9 Ų | 42.9 | 18% | 0.176 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.7 | -43.3 | 178.9 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | Y152 V153 E158 E159 R191 I192 | Y152-V155 PolarHBondContact O-N 2.97Å; V153-V155 VanDerWaalsContact C-N 3.35Å; V153-V155 PolarHBondContact O-N 2.93Å; V155-E158 PolarHBondContact O-N 3.28Å; V155-E159 WeakPolarHBondContact O-CG 3.33Å; V155-E159 PolarHBondContact O-N 2.85Å; V155-E159 VanDerWaalsContact O-N 3.08Å; V155-R191 HydrophobicContact CG1-CB 3.88Å; V155-I192 HydrophobicContact CB-CD1 4.49Å; V155-I192 HydrophobicContact CB-CG1 4.24Å; V155-I192 HydrophobicContact CG1-CD1 4.34Å; V155-I192 HydrophobicContact CG1-CG1 3.85Å |
| 156 | I | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63 | -46.8 | 176.1 | -61 | 166.4 | 0 | 0 | 0 | 110 | Y152 V153 E158 E159 V160 I188 I192 F449 V452 L453 I456 | Y152-I156 VanDerWaalsContact O-CG1 3.29Å; Y152-I156 WeakPolarHBondContact O-CG1 3.35Å; Y152-I156 PolarHBondContact O-N 3.37Å; V153-I156 PolarHBondContact O-N 3.3Å; I156-E158 VanDerWaalsContact C-N 3.33Å; I156-E158 PolarHBondContact O-N 3.18Å; I156-E159 PolarHBondContact O-N 2.58Å; I156-V160 HydrophobicContact CG2-CG2 4.11Å; I156-V160 WeakPolarHBondContact O-CB 3.3Å; I156-V160 WeakPolarHBondContact O-CG2 3.3Å; I156-V160 PolarHBondContact O-N 3.35Å; I156-I188 HydrophobicContact CG1-CG2 4.21Å; I156-I188 HydrophobicContact CG2-CD1 4.38Å; I156-I192 HydrophobicContact CD1-CD1 3.93Å; I156-I192 HydrophobicContact CG1-CD1 3.29Å; I156-F449 HydrophobicContact CD1-CE2 4Å; I156-V452 HydrophobicContact CD1-CG1 4.37Å; I156-L453 HydrophobicContact CD1-CB 4.15Å; I156-L453 HydrophobicContact CG2-CG 4.21Å; I156-I456 HydrophobicContact CB-CD1 3.84Å; I156-I456 HydrophobicContact CB-CG2 4.3Å; I156-I456 HydrophobicContact CD1-CD1 3.89Å; I156-I456 HydrophobicContact CG1-CD1 4.45Å; I156-I456 HydrophobicContact CG2-CB 3.89Å; I156-I456 HydrophobicContact CG2-CD1 3.88Å; I156-I456 HydrophobicContact CG2-CG2 3.68Å |
| 157 | A | 94.3 | Very high | 93.8 | Very high | 21 Ų | 21 | 40.4 Ų | 40.4 | 17% | 0.174 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62 | -41.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V153 P154 G161 I456 | V153-A157 WeakPolarHBondContact O-CB 3.39Å; V153-A157 PolarHBondContact O-N 3.19Å; P154-A157 PolarHBondContact O-N 3.45Å; A157-G161 PolarHBondContact O-N 3.25Å; A157-I456 HydrophobicContact CB-CG2 4.03Å |
| 158 | E | 92.9 | Very high | 94 | Very high | 104 Ų | 104 | 35.5 Ų | 35.5 | 49% | 0.486 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.6 | -50 | 176.3 | -178.5 | -175.1 | -155.2 | 0 | 0 | 112.3 | P154 V155 I156 V160 G161 S162 R191 | P154-E158 WeakPolarHBondContact O-CB 3.47Å; P154-E158 PolarHBondContact O-N 3.02Å; V155-E158 PolarHBondContact O-N 3.28Å; I156-E158 VanDerWaalsContact C-N 3.33Å; I156-E158 PolarHBondContact O-N 3.18Å; E158-V160 PolarHBondContact O-N 2.82Å; E158-G161 PolarHBondContact O-N 2.93Å; E158-S162 WeakPolarHBondContact O-CB 3.32Å; E158-S162 PolarHBondContact O-N 3.43Å; E158-S162 PolarHBondContact O-OG 2.89Å; E158-R191 IonicContact OE2-CZ 3.39Å; E158-R191 VanDerWaalsContact OE2-CZ 3.29Å; E158-R191 IonicContact OE2-NH1 2.93Å; E158-R191 PolarHBondContact OE2-NH1 3.44Å; E158-R191 IonicContact OE2-NH2 3.11Å; E158-R191 PolarHBondContact OE2-NH2 3.34Å |
| 159 | E | 93.9 | Very high | 94 | Very high | 13 Ų | 13 | 39.4 Ų | 39.4 | 6% | 0.061 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.3 | -42.2 | 179.6 | -77.9 | -59.8 | 142.7 | 0 | 0 | 112.2 | V155 I156 C163 L184 R187 I188 R191 | V155-E159 WeakPolarHBondContact O-CG 3.33Å; V155-E159 PolarHBondContact O-N 2.85Å; V155-E159 VanDerWaalsContact O-N 3.08Å; I156-E159 PolarHBondContact O-N 2.58Å; E159-C163 VanDerWaalsContact O-CB 3.28Å; E159-C163 WeakPolarHBondContact O-CB 3.36Å; E159-C163 PolarHBondContact O-N 3.27Å; E159-C163 VanDerWaalsContact O-N 3.08Å; E159-L184 HydrophobicContact CB-CD1 3.97Å; E159-L184 WeakPolarHBondContact O-CD1 3.38Å; E159-R187 WeakPolarHBondContact OE2-CB 3.3Å; E159-R187 IonicContact OE2-NE 2.65Å; E159-R187 PolarHBondContact OE2-NE 3.35Å; E159-I188 HydrophobicContact CB-CD1 4.22Å; E159-I188 HydrophobicContact CB-CG1 3.58Å; E159-I188 HydrophobicContact CG-CG1 3.93Å; E159-R191 WeakPolarHBondContact OE1-CD 3.29Å; E159-R191 IonicContact OE1-CZ 2.79Å; E159-R191 IonicContact OE1-NE 3.45Å; E159-R191 IonicContact OE1-NH1 3.61Å; E159-R191 PolarHBondContact OE1-NH1 3.44Å |
| 160 | V | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.4 | -48.9 | 177 | 175.5 | 0 | 0 | 0 | 0 | 110 | I156 E158 S162 C163 L164 L184 I188 F457 E460 | I156-V160 HydrophobicContact CG2-CG2 4.11Å; I156-V160 WeakPolarHBondContact O-CB 3.3Å; I156-V160 WeakPolarHBondContact O-CG2 3.3Å; I156-V160 PolarHBondContact O-N 3.35Å; E158-V160 PolarHBondContact O-N 2.82Å; V160-S162 PolarHBondContact O-N 3.1Å; V160-C163 WeakPolarHBondContact O-CB 3.42Å; V160-C163 PolarHBondContact O-N 3.39Å; V160-L164 HydrophobicContact CG1-CD1 3.96Å; V160-L164 HydrophobicContact CG1-CG 4.19Å; V160-L164 WeakPolarHBondContact O-CG 3.25Å; V160-L164 PolarHBondContact O-N 3.35Å; V160-L184 HydrophobicContact CG2-CD2 4.28Å; V160-I188 HydrophobicContact CG2-CD1 4.13Å; V160-F457 HydrophobicContact CG1-CD2 3.89Å; V160-F457 HydrophobicContact CG2-CD2 4Å; V160-E460 HydrophobicContact CB-CB 4.47Å; V160-E460 HydrophobicContact CB-CG 4.45Å; V160-E460 HydrophobicContact CG1-CB 3.55Å; V160-E460 HydrophobicContact CG1-CG 4.04Å |
| 161 | G | 94.3 | Very high | 93.5 | Very high | 18 Ų | 18 | 36.9 Ų | 36.9 | 19% | 0.186 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.9 | -51.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | A157 E158 C163 L164 E165 | A157-G161 PolarHBondContact O-N 3.25Å; E158-G161 PolarHBondContact O-N 2.93Å; G161-C163 VanDerWaalsContact C-N 3.28Å; G161-C163 PolarHBondContact O-N 2.99Å; G161-L164 PolarHBondContact O-N 2.83Å; G161-L164 VanDerWaalsContact O-N 3.1Å; G161-E165 PolarHBondContact O-N 3.36Å |
| 162 | S | 92.7 | Very high | 93 | Very high | 52 Ų | 52 | 43.2 Ų | 43.2 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.5 | -41 | 177.6 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | E158 V160 Q166 | E158-S162 WeakPolarHBondContact O-CB 3.32Å; E158-S162 PolarHBondContact O-N 3.43Å; E158-S162 PolarHBondContact O-OG 2.89Å; V160-S162 PolarHBondContact O-N 3.1Å; S162-Q166 WeakPolarHBondContact O-CG 3.31Å; S162-Q166 PolarHBondContact O-N 2.99Å |
| 163 | C | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 177.3 | -169.2 | 0 | 0 | 0 | 0 | 112.5 | E159 V160 G161 Q166 W167 L184 | E159-C163 VanDerWaalsContact O-CB 3.28Å; E159-C163 WeakPolarHBondContact O-CB 3.36Å; E159-C163 PolarHBondContact O-N 3.27Å; E159-C163 VanDerWaalsContact O-N 3.08Å; V160-C163 WeakPolarHBondContact O-CB 3.42Å; V160-C163 PolarHBondContact O-N 3.39Å; G161-C163 VanDerWaalsContact C-N 3.28Å; G161-C163 PolarHBondContact O-N 2.99Å; C163-Q166 WeakPolarHBondContact O-CB 3.24Å; C163-Q166 PolarHBondContact O-N 3.23Å; C163-W167 VanDerWaalsContact O-CG 3.32Å; C163-W167 PolarHBondContact O-N 3.2Å; C163-W167 VanDerWaalsContact SG-CZ2 3.59Å; C163-W167 PolarHBondContact SG-NE1 3.32Å; C163-L184 HydrophobicContact CB-CD1 3.86Å; C163-L184 HydrophobicContact CB-CD2 4.09Å; C163-L184 HydrophobicContact CB-CG 4.39Å |
| 164 | L | 95.3 | Very high | 92.6 | Very high | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.8 | -37.5 | 178.8 | -67 | -178.9 | 0 | 0 | 0 | 111.7 | V160 G161 Q166 W167 L168 E460 L461 | V160-L164 HydrophobicContact CG1-CD1 3.96Å; V160-L164 HydrophobicContact CG1-CG 4.19Å; V160-L164 WeakPolarHBondContact O-CG 3.25Å; V160-L164 PolarHBondContact O-N 3.35Å; G161-L164 PolarHBondContact O-N 2.83Å; G161-L164 VanDerWaalsContact O-N 3.1Å; L164-Q166 VanDerWaalsContact C-N 3.31Å; L164-Q166 PolarHBondContact O-N 3.16Å; L164-W167 HydrophobicContact CD2-CD2 4.35Å; L164-W167 HydrophobicContact CD2-CE3 3.61Å; L164-W167 HydrophobicContact CD2-CZ3 3.76Å; L164-W167 PolarHBondContact O-N 3.01Å; L164-L168 WeakPolarHBondContact O-CB 3.49Å; L164-L168 WeakPolarHBondContact O-CD1 3.33Å; L164-L168 WeakPolarHBondContact O-CG 3.33Å; L164-L168 PolarHBondContact O-N 3.32Å; L164-E460 HydrophobicContact CD1-CB 3.92Å; L164-L461 HydrophobicContact CD1-CD2 4.4Å; L164-L461 HydrophobicContact CD2-CD2 3.56Å; L164-L461 HydrophobicContact CD2-CG 4.32Å |
| 165 | E | 93.8 | Very high | 92.8 | Very high | 141 Ų | 141 | 50.9 Ų | 50.9 | 66% | 0.659 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -58.8 | -43.5 | 172.7 | -71.5 | -178.3 | 177.1 | 0 | 0 | 111.7 | G161 W167 L168 S169 | G161-E165 PolarHBondContact O-N 3.36Å; E165-W167 PolarHBondContact O-N 2.94Å; E165-L168 PolarHBondContact O-N 3.48Å; E165-S169 PolarHBondContact O-N 3.37Å |
| 166 | Q | 93.6 | Very high | 93 | Very high | 100 Ų | 100 | 53.3 Ų | 53.3 | 47% | 0.467 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 174.4 | -68.7 | 172.6 | -3 | 0 | 0 | 111.5 | S162 C163 L164 L168 S169 C170 | S162-Q166 WeakPolarHBondContact O-CG 3.31Å; S162-Q166 PolarHBondContact O-N 2.99Å; C163-Q166 WeakPolarHBondContact O-CB 3.24Å; C163-Q166 PolarHBondContact O-N 3.23Å; L164-Q166 VanDerWaalsContact C-N 3.31Å; L164-Q166 PolarHBondContact O-N 3.16Å; Q166-L168 PolarHBondContact O-N 3.19Å; Q166-S169 WeakPolarHBondContact O-CB 3.48Å; Q166-S169 PolarHBondContact O-N 3.33Å; Q166-S169 PolarHBondContact O-OG 3.05Å; Q166-C170 PolarHBondContact O-N 3.02Å |
| 167 | W | 95.6 | Very high | 93.1 | Very high | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.6 | -39.2 | 178.5 | -66.2 | 3.9 | 0 | 0 | 0 | 112.7 | C163 L164 E165 S169 C170 L175 E180 V181 I315 F457 L461 F492 | C163-W167 VanDerWaalsContact O-CG 3.32Å; C163-W167 PolarHBondContact O-N 3.2Å; C163-W167 VanDerWaalsContact SG-CZ2 3.59Å; C163-W167 PolarHBondContact SG-NE1 3.32Å; L164-W167 HydrophobicContact CD2-CD2 4.35Å; L164-W167 HydrophobicContact CD2-CE3 3.61Å; L164-W167 HydrophobicContact CD2-CZ3 3.76Å; L164-W167 PolarHBondContact O-N 3.01Å; E165-W167 PolarHBondContact O-N 2.94Å; W167-S169 VanDerWaalsContact C-N 3.27Å; W167-S169 PolarHBondContact O-N 3.46Å; W167-C170 VanDerWaalsContact O-CB 3.31Å; W167-C170 WeakPolarHBondContact O-CB 3.44Å; W167-C170 PolarHBondContact O-N 3.25Å; W167-L175 HydrophobicContact CB-CD2 3.68Å; W167-L175 HydrophobicContact CD2-CD1 4.1Å; W167-L175 HydrophobicContact CD2-CD2 4.35Å; W167-L175 HydrophobicContact CG-CD1 4.14Å; W167-L175 HydrophobicContact CG-CD2 3.78Å; W167-E180 HydrophobicContact CZ2-CB 3.75Å; W167-V181 HydrophobicContact CH2-CG2 3.56Å; W167-V181 HydrophobicContact CZ2-CG2 4Å; W167-I315 HydrophobicContact CH2-CD1 4.05Å; W167-I315 HydrophobicContact CZ3-CD1 3.85Å; W167-F457 HydrophobicContact CH2-CZ 4.43Å; W167-L461 HydrophobicContact CZ3-CD2 4.46Å; W167-F492 HydrophobicContact CB-CD2 4.45Å; W167-F492 HydrophobicContact CB-CG 4.42Å; W167-F492 HydrophobicContact CE3-CD1 4.14Å; W167-F492 HydrophobicContact CE3-CD2 4.32Å; W167-F492 AromaticContact CE3-CE1 3.71Å; W167-F492 HydrophobicContact CE3-CE1 3.71Å; W167-F492 AromaticContact CE3-CE2 3.89Å; W167-F492 HydrophobicContact CE3-CE2 3.89Å; W167-F492 HydrophobicContact CE3-CG 4.44Å; W167-F492 AromaticContact CE3-CZ 3.57Å; W167-F492 HydrophobicContact CE3-CZ 3.57Å; W167-F492 AromaticContact CZ3-CE1 3.96Å; W167-F492 HydrophobicContact CZ3-CE1 3.96Å; W167-F492 HydrophobicContact CZ3-CE2 4.39Å; W167-F492 AromaticContact CZ3-CZ 3.73Å; W167-F492 HydrophobicContact CZ3-CZ 3.73Å |
| 168 | L | 94.7 | Very high | 93.3 | Very high | 21 Ų | 21 | 53.2 Ų | 53.2 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.7 | -33.2 | 176.1 | -71.9 | 162.5 | 0 | 0 | 0 | 111.6 | L164 E165 Q166 C170 G171 F492 | L164-L168 WeakPolarHBondContact O-CB 3.49Å; L164-L168 WeakPolarHBondContact O-CD1 3.33Å; L164-L168 WeakPolarHBondContact O-CG 3.33Å; L164-L168 PolarHBondContact O-N 3.32Å; E165-L168 PolarHBondContact O-N 3.48Å; Q166-L168 PolarHBondContact O-N 3.19Å; L168-C170 VanDerWaalsContact C-N 3.25Å; L168-C170 PolarHBondContact O-N 2.92Å; L168-G171 PolarHBondContact O-N 3.49Å; L168-F492 HydrophobicContact CD2-CB 4.26Å |
| 169 | S | 93.8 | Very high | 93.3 | Very high | 89 Ų | 89 | 50.2 Ų | 50.2 | 62% | 0.622 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -69.1 | -18.7 | 175.4 | 84.1 | 0 | 0 | 0 | 0 | 114 | E165 Q166 W167 G171 | E165-S169 PolarHBondContact O-N 3.37Å; Q166-S169 WeakPolarHBondContact O-CB 3.48Å; Q166-S169 PolarHBondContact O-N 3.33Å; Q166-S169 PolarHBondContact O-OG 3.05Å; W167-S169 VanDerWaalsContact C-N 3.27Å; W167-S169 PolarHBondContact O-N 3.46Å; S169-G171 PolarHBondContact O-N 3.26Å |
| 170 | C | 91.4 | Very high | 93.4 | Very high | 34 Ų | 34 | 51.8 Ų | 51.8 | 23% | 0.23 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -26.8 | 174.4 | -62.8 | 0 | 0 | 0 | 0 | 112 | Q166 W167 L168 E172 R173 L175 | Q166-C170 PolarHBondContact O-N 3.02Å; W167-C170 VanDerWaalsContact O-CB 3.31Å; W167-C170 WeakPolarHBondContact O-CB 3.44Å; W167-C170 PolarHBondContact O-N 3.25Å; L168-C170 VanDerWaalsContact C-N 3.25Å; L168-C170 PolarHBondContact O-N 2.92Å; C170-E172 PolarHBondContact O-N 2.77Å; C170-R173 WeakPolarHBondContact O-CB 3.42Å; C170-R173 PolarHBondContact O-N 2.8Å; C170-R173 PolarHBondContact O-NE 2.98Å; C170-L175 HydrophobicContact CB-CD2 4.41Å |
| 171 | G | 84.1 | Confident | 93.4 | Very high | 30 Ų | 30 | 51.8 Ų | 51.8 | 31% | 0.309 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | 53.3 | -132.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L168 S169 R173 G174 | L168-G171 PolarHBondContact O-N 3.49Å; S169-G171 PolarHBondContact O-N 3.26Å; G171-R173 PolarHBondContact O-N 2.97Å; G171-G174 PolarHBondContact O-N 3.05Å |
| 172 | E | 82.4 | Confident | 93.3 | Very high | 164 Ų | 164 | 52.1 Ų | 52.1 | 77% | 0.766 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -63.6 | -22.9 | -176 | -65.8 | -167.7 | 164.5 | 0 | 0 | 114.6 | C170 G174 R491 | C170-E172 PolarHBondContact O-N 2.77Å; E172-G174 PolarHBondContact O-N 2.87Å; E172-R491 PolarHBondContact O-NE 3.23Å; E172-R491 VanDerWaalsContact O-NE 3.1Å; E172-R491 PolarHBondContact O-NH2 3.42Å |
| 173 | R | 87.1 | Confident | 93.3 | Very high | 209 Ų | 209 | 54.5 Ų | 54.5 | 79% | 0.789 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -62.3 | -27.5 | -179 | -65.1 | -176.9 | -72.5 | -173 | -2.1 | 112.4 | C170 G171 | C170-R173 WeakPolarHBondContact O-CB 3.42Å; C170-R173 PolarHBondContact O-N 2.8Å; C170-R173 PolarHBondContact O-NE 2.98Å; G171-R173 PolarHBondContact O-N 2.97Å |
| 174 | G | 92.4 | Very high | 93.2 | Very high | 13 Ų | 13 | 54.5 Ų | 54.5 | 13% | 0.134 | 27% | 0.272 | C | S | . | . | trans | 63 | -177.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G171 E172 A490 | G171-G174 PolarHBondContact O-N 3.05Å; E172-G174 PolarHBondContact O-N 2.87Å; G174-A490 CarbonylContact C-O 3.37Å; G174-A490 VanDerWaalsContact CA-O 3.22Å; G174-A490 WeakPolarHBondContact CA-O 3.39Å | ||
| 175 | L | 97 | Very high | 93.2 | Very high | 24 Ų | 24 | 54.4 Ų | 54.4 | 13% | 0.126 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 166.1 | 177.6 | 65.1 | 119.9 | 0 | 0 | 0 | 111.6 | W167 C170 V177 E180 P489 A490 F492 | W167-L175 HydrophobicContact CB-CD2 3.68Å; W167-L175 HydrophobicContact CD2-CD1 4.1Å; W167-L175 HydrophobicContact CD2-CD2 4.35Å; W167-L175 HydrophobicContact CG-CD1 4.14Å; W167-L175 HydrophobicContact CG-CD2 3.78Å; C170-L175 HydrophobicContact CB-CD2 4.41Å; L175-V177 HydrophobicContact CD1-CG2 4.24Å; L175-E180 HydrophobicContact CD1-CB 3.96Å; L175-E180 HydrophobicContact CD1-CG 3.69Å; L175-P489 WeakPolarHBondContact O-CA 3.33Å; L175-A490 PolarHBondContact N-O 3.19Å; L175-A490 PolarHBondContact O-N 2.98Å; L175-F492 HydrophobicContact CD1-CE2 4.49Å; L175-F492 HydrophobicContact CD2-CD2 3.68Å; L175-F492 HydrophobicContact CD2-CE2 4.01Å; L175-F492 HydrophobicContact CG-CD2 4.43Å; L175-F492 HydrophobicContact CG-CE2 4.34Å |
| 176 | L | 97.9 | Very high | 93.1 | Very high | 79 Ų | 79 | 47.9 Ų | 47.9 | 41% | 0.414 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 107 | 169.3 | -59.4 | -178.1 | 0 | 0 | 0 | 108.7 | Y178 P179 N487 P489 | L176-Y178 PolarHBondContact O-N 2.91Å; L176-P179 HydrophobicContact CB-CG 4.05Å; L176-P179 WeakPolarHBondContact O-CD 3.44Å; L176-N487 HydrophobicContact CB-CB 4.07Å; L176-N487 HydrophobicContact CD1-CB 4.33Å; L176-N487 HydrophobicContact CD2-CB 4.33Å; L176-N487 HydrophobicContact CG-CB 4.48Å; L176-P489 HydrophobicContact CD2-CB 4.13Å; L176-P489 HydrophobicContact CD2-CG 3.79Å |
| 177 | V | 97.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.1 | -41.4 | -171.4 | 171.9 | 0 | 0 | 0 | 0 | 112.5 | L175 E180 V181 T312 I315 N487 L488 A490 F492 | L175-V177 HydrophobicContact CD1-CG2 4.24Å; V177-E180 PolarHBondContact O-N 3.35Å; V177-V181 HydrophobicContact CG1-CG2 3.71Å; V177-V181 WeakPolarHBondContact O-CB 3.39Å; V177-V181 VanDerWaalsContact O-CG2 3.29Å; V177-V181 WeakPolarHBondContact O-CG2 3.36Å; V177-V181 PolarHBondContact O-N 2.83Å; V177-T312 HydrophobicContact CG1-CG2 4.37Å; V177-I315 HydrophobicContact CG1-CB 4.45Å; V177-I315 HydrophobicContact CG1-CD1 3.47Å; V177-I315 VanDerWaalsContact CG1-CD1 3.47Å; V177-I315 HydrophobicContact CG1-CG2 4.22Å; V177-N487 PolarHBondContact N-O 3.38Å; V177-N487 VanDerWaalsContact N-O 3.14Å; V177-L488 HydrophobicContact CB-CB 4.18Å; V177-L488 HydrophobicContact CB-CD2 4.06Å; V177-L488 HydrophobicContact CB-CG 4.29Å; V177-L488 WeakPolarHBondContact CB-O 3.47Å; V177-L488 HydrophobicContact CG1-CD2 4.03Å; V177-L488 HydrophobicContact CG2-CD2 4.44Å; V177-L488 VanDerWaalsContact CG2-O 3.25Å; V177-L488 WeakPolarHBondContact CG2-O 3.11Å; V177-L488 PolarHBondContact N-O 2.87Å; V177-L488 VanDerWaalsContact N-O 3.11Å; V177-A490 HydrophobicContact CG2-CB 3.64Å; V177-F492 HydrophobicContact CG2-CE2 3.75Å; V177-F492 HydrophobicContact CG2-CZ 4Å |
| 178 | Y | 96.8 | Very high | 92.8 | Very high | 20 Ų | 20 | 45.2 Ų | 45.2 | 8% | 0.078 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.4 | -48.6 | -172.1 | -178.1 | -125.9 | 0 | 0 | 0 | 113.2 | L176 E180 V181 K182 T312 Y483 P484 N487 | L176-Y178 PolarHBondContact O-N 2.91Å; Y178-E180 VanDerWaalsContact C-N 3.34Å; Y178-E180 PolarHBondContact O-N 3.46Å; Y178-V181 PolarHBondContact O-N 3.06Å; Y178-K182 HydrophobicContact CD2-CG 4.41Å; Y178-K182 HydrophobicContact CE1-CD 4.14Å; Y178-K182 HydrophobicContact CE2-CD 4.28Å; Y178-K182 HydrophobicContact CE2-CG 4.09Å; Y178-K182 WeakPolarHBondContact O-CG 3.18Å; Y178-K182 PolarHBondContact O-N 3.13Å; Y178-T312 HydrophobicContact CD2-CG2 4.1Å; Y178-T312 WeakPolarHBondContact CD2-OG1 3.24Å; Y178-T312 HydrophobicContact CG-CG2 4.49Å; Y178-Y483 HydrophobicContact CE1-CD2 4.36Å; Y178-Y483 HydrophobicContact CE1-CG 4.22Å; Y178-P484 HydrophobicContact CG-CG 4.3Å; Y178-N487 PolarHBondContact N-O 2.64Å |
| 179 | P | 94.1 | Very high | 92.7 | Very high | 40 Ų | 40 | 44.3 Ų | 44.3 | 26% | 0.26 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -55.6 | -44 | 172 | -27.7 | 33.7 | 0 | 0 | 0 | 113.9 | L176 K182 R183 N487 | L176-P179 HydrophobicContact CB-CG 4.05Å; L176-P179 WeakPolarHBondContact O-CD 3.44Å; P179-K182 WeakPolarHBondContact O-CB 3.17Å; P179-K182 PolarHBondContact O-N 3.39Å; P179-R183 WeakPolarHBondContact O-CG 3.43Å; P179-R183 PolarHBondContact O-N 2.89Å; P179-N487 HydrophobicContact CG-CB 4.3Å |
| 180 | E | 95.1 | Very high | 92.5 | Very high | 47 Ų | 47 | 41 Ų | 41 | 22% | 0.22 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.1 | -39.3 | -177.3 | -65.8 | -53.1 | 120.2 | 0 | 0 | 112.4 | W167 L175 V177 Y178 K182 R183 L184 | W167-E180 HydrophobicContact CZ2-CB 3.75Å; L175-E180 HydrophobicContact CD1-CB 3.96Å; L175-E180 HydrophobicContact CD1-CG 3.69Å; V177-E180 PolarHBondContact O-N 3.35Å; Y178-E180 VanDerWaalsContact C-N 3.34Å; Y178-E180 PolarHBondContact O-N 3.46Å; E180-K182 VanDerWaalsContact C-N 3.32Å; E180-K182 PolarHBondContact O-N 3.45Å; E180-R183 PolarHBondContact O-N 2.98Å; E180-R183 IonicContact OE1-NE 3.74Å; E180-R183 PolarHBondContact OE1-NE 2.95Å; E180-L184 PolarHBondContact O-N 3.07Å |
| 181 | V | 96.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.8 | -40.3 | 171.5 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | W167 V177 Y178 L184 M185 A308 A311 I315 F457 | W167-V181 HydrophobicContact CH2-CG2 3.56Å; W167-V181 HydrophobicContact CZ2-CG2 4Å; V177-V181 HydrophobicContact CG1-CG2 3.71Å; V177-V181 WeakPolarHBondContact O-CB 3.39Å; V177-V181 VanDerWaalsContact O-CG2 3.29Å; V177-V181 WeakPolarHBondContact O-CG2 3.36Å; V177-V181 PolarHBondContact O-N 2.83Å; Y178-V181 PolarHBondContact O-N 3.06Å; V181-L184 PolarHBondContact O-N 3.29Å; V181-M185 HydrophobicContact CG1-CE 4.12Å; V181-M185 HydrophobicContact CG1-CG 4.26Å; V181-M185 VanDerWaalsContact O-CG 3.26Å; V181-M185 WeakPolarHBondContact O-CG 3.4Å; V181-M185 PolarHBondContact O-N 3.03Å; V181-A308 HydrophobicContact CG1-CB 3.95Å; V181-A311 HydrophobicContact CG1-CB 3.74Å; V181-I315 HydrophobicContact CG2-CD1 4.04Å; V181-F457 HydrophobicContact CG2-CZ 4.34Å |
| 182 | K | 93 | Very high | 92.8 | Very high | 25 Ų | 25 | 39.2 Ų | 39.2 | 11% | 0.109 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.1 | -49.6 | 174.8 | -75.1 | -173.8 | 74.3 | -166.1 | 0 | 111.4 | Y178 P179 E180 L184 M185 F186 E217 H304 E305 A308 | Y178-K182 HydrophobicContact CD2-CG 4.41Å; Y178-K182 HydrophobicContact CE1-CD 4.14Å; Y178-K182 HydrophobicContact CE2-CD 4.28Å; Y178-K182 HydrophobicContact CE2-CG 4.09Å; Y178-K182 WeakPolarHBondContact O-CG 3.18Å; Y178-K182 PolarHBondContact O-N 3.13Å; P179-K182 WeakPolarHBondContact O-CB 3.17Å; P179-K182 PolarHBondContact O-N 3.39Å; E180-K182 VanDerWaalsContact C-N 3.32Å; E180-K182 PolarHBondContact O-N 3.45Å; K182-L184 VanDerWaalsContact C-N 3.32Å; K182-L184 PolarHBondContact O-N 3.38Å; K182-M185 PolarHBondContact O-N 3.48Å; K182-F186 PolarHBondContact O-N 3.04Å; K182-E217 IonicContact NZ-OE1 3.59Å; K182-E217 PolarHBondContact NZ-OE1 3.15Å; K182-H304 WeakPolarHBondContact CE-CE1 3.42Å; K182-H304 PolarHBondContact O-CD2 3.25Å; K182-H304 VanDerWaalsContact O-CD2 3.25Å; K182-H304 PolarHBondContact O-NE2 2.87Å; K182-E305 WeakPolarHBondContact CE-OE1 3.49Å; K182-E305 IonicContact NZ-OE1 3.33Å; K182-E305 PolarHBondContact NZ-OE1 2.84Å; K182-E305 VanDerWaalsContact NZ-OE1 3.11Å; K182-A308 HydrophobicContact CG-CB 3.92Å |
| 183 | R | 91.1 | Very high | 93.2 | Very high | 102 Ų | 102 | 31.5 Ų | 31.5 | 39% | 0.385 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -55.5 | -46.9 | 176.1 | -65.8 | -178.8 | -159.9 | -101.5 | 2.4 | 111.5 | P179 E180 M185 F186 R187 | P179-R183 WeakPolarHBondContact O-CG 3.43Å; P179-R183 PolarHBondContact O-N 2.89Å; E180-R183 PolarHBondContact O-N 2.98Å; E180-R183 IonicContact OE1-NE 3.74Å; E180-R183 PolarHBondContact OE1-NE 2.95Å; R183-M185 PolarHBondContact O-N 2.97Å; R183-F186 WeakPolarHBondContact O-CB 3.42Å; R183-F186 PolarHBondContact O-N 3.33Å; R183-R187 PolarHBondContact O-N 3.45Å |
| 184 | L | 94.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.8 | -49 | 176.6 | 172.2 | 59.5 | 0 | 0 | 0 | 112.1 | E159 V160 C163 E180 V181 K182 F186 R187 I188 F457 | E159-L184 HydrophobicContact CB-CD1 3.97Å; E159-L184 WeakPolarHBondContact O-CD1 3.38Å; V160-L184 HydrophobicContact CG2-CD2 4.28Å; C163-L184 HydrophobicContact CB-CD1 3.86Å; C163-L184 HydrophobicContact CB-CD2 4.09Å; C163-L184 HydrophobicContact CB-CG 4.39Å; E180-L184 PolarHBondContact O-N 3.07Å; V181-L184 PolarHBondContact O-N 3.29Å; K182-L184 VanDerWaalsContact C-N 3.32Å; K182-L184 PolarHBondContact O-N 3.38Å; L184-F186 PolarHBondContact O-N 3.44Å; L184-R187 PolarHBondContact O-N 3.34Å; L184-I188 HydrophobicContact CD1-CD1 3.72Å; L184-I188 HydrophobicContact CD1-CG1 4.06Å; L184-I188 HydrophobicContact CG-CD1 3.89Å; L184-I188 WeakPolarHBondContact O-CG1 3.29Å; L184-I188 PolarHBondContact O-N 2.8Å; L184-F457 HydrophobicContact CD2-CD2 4.12Å; L184-F457 HydrophobicContact CD2-CE2 3.75Å |
| 185 | M | 95.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.6 | -31.1 | 179.7 | -63.9 | -57.3 | 144.2 | 0 | 0 | 112.1 | V181 K182 R183 I188 A189 T307 A308 A311 L453 F457 | V181-M185 HydrophobicContact CG1-CE 4.12Å; V181-M185 HydrophobicContact CG1-CG 4.26Å; V181-M185 VanDerWaalsContact O-CG 3.26Å; V181-M185 WeakPolarHBondContact O-CG 3.4Å; V181-M185 PolarHBondContact O-N 3.03Å; K182-M185 PolarHBondContact O-N 3.48Å; R183-M185 PolarHBondContact O-N 2.97Å; M185-I188 HydrophobicContact SD-CD1 4.37Å; M185-A189 WeakPolarHBondContact O-CB 3.31Å; M185-A189 PolarHBondContact O-N 3.16Å; M185-T307 WeakPolarHBondContact CG-OG1 3.47Å; M185-A308 HydrophobicContact CB-CB 4.29Å; M185-A308 HydrophobicContact CG-CB 3.84Å; M185-A311 HydrophobicContact CE-CB 3.77Å; M185-L453 HydrophobicContact CE-CD2 4.02Å; M185-L453 HydrophobicContact SD-CD1 4.16Å; M185-L453 HydrophobicContact SD-CD2 3.72Å; M185-F457 HydrophobicContact CE-CD2 4.33Å; M185-F457 HydrophobicContact CE-CE2 4.43Å |
| 186 | F | 90.6 | Very high | 92.2 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.018 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.6 | -47.6 | 175.7 | -175.3 | -93.8 | 0 | 0 | 0 | 110.7 | K182 R183 L184 I188 A189 M190 L212 V213 F216 H304 | K182-F186 PolarHBondContact O-N 3.04Å; R183-F186 WeakPolarHBondContact O-CB 3.42Å; R183-F186 PolarHBondContact O-N 3.33Å; L184-F186 PolarHBondContact O-N 3.44Å; F186-I188 PolarHBondContact O-N 2.91Å; F186-A189 PolarHBondContact O-N 3.15Å; F186-M190 HydrophobicContact CD1-CG 3.81Å; F186-M190 HydrophobicContact CE1-CG 3.44Å; F186-M190 VanDerWaalsContact CE1-CG 3.44Å; F186-M190 HydrophobicContact CE1-SD 4.05Å; F186-M190 HydrophobicContact CE2-CG 4.42Å; F186-M190 HydrophobicContact CE2-SD 4.47Å; F186-M190 HydrophobicContact CG-CG 4.47Å; F186-M190 HydrophobicContact CZ-CG 3.79Å; F186-M190 HydrophobicContact CZ-SD 3.82Å; F186-M190 WeakPolarHBondContact O-CG 3.38Å; F186-M190 PolarHBondContact O-N 3.24Å; F186-L212 HydrophobicContact CZ-CB 4.26Å; F186-V213 HydrophobicContact CD1-CB 4.49Å; F186-V213 HydrophobicContact CD1-CG2 3.38Å; F186-V213 HydrophobicContact CE1-CB 4.32Å; F186-V213 HydrophobicContact CE1-CG2 3.37Å; F186-V213 HydrophobicContact CG-CG2 4.1Å; F186-V213 HydrophobicContact CZ-CG2 4.12Å; F186-F216 HydrophobicContact CD2-CB 4.44Å; F186-F216 AromaticContact CD2-CD1 3.89Å; F186-F216 HydrophobicContact CD2-CD1 3.89Å; F186-F216 HydrophobicContact CD2-CE1 4.31Å; F186-F216 HydrophobicContact CD2-CG 4.15Å; F186-F216 HydrophobicContact CE2-CB 3.66Å; F186-F216 AromaticContact CE2-CD1 3.86Å; F186-F216 HydrophobicContact CE2-CD1 3.86Å; F186-F216 HydrophobicContact CE2-CD2 4.16Å; F186-F216 AromaticContact CE2-CG 3.63Å; F186-F216 HydrophobicContact CE2-CG 3.63Å; F186-F216 HydrophobicContact CZ-CB 4.35Å; F186-H304 PolarHBondContact N-CD2 3.43Å |
| 187 | R | 90.4 | Very high | 90.9 | Very high | 46 Ų | 46 | 21.2 Ų | 21.2 | 17% | 0.174 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.8 | -47 | 176.7 | -69.3 | -164.7 | -56.3 | -93.6 | -0.1 | 112.5 | E159 R183 L184 A189 M190 R191 E209 | E159-R187 WeakPolarHBondContact OE2-CB 3.3Å; E159-R187 IonicContact OE2-NE 2.65Å; E159-R187 PolarHBondContact OE2-NE 3.35Å; R183-R187 PolarHBondContact O-N 3.45Å; L184-R187 PolarHBondContact O-N 3.34Å; R187-A189 VanDerWaalsContact C-N 3.3Å; R187-A189 PolarHBondContact O-N 3.3Å; R187-M190 PolarHBondContact O-N 3.08Å; R187-R191 PolarHBondContact O-N 3.11Å; R187-E209 WeakPolarHBondContact CD-OE1 3.31Å; R187-E209 WeakPolarHBondContact CG-OE1 3.21Å |
| 188 | I | 93.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -56.9 | -46.3 | 174.5 | -69.1 | 171.1 | 0 | 0 | 0 | 110.4 | I156 E159 V160 L184 M185 F186 R191 I192 F449 L453 | I156-I188 HydrophobicContact CG1-CG2 4.21Å; I156-I188 HydrophobicContact CG2-CD1 4.38Å; E159-I188 HydrophobicContact CB-CD1 4.22Å; E159-I188 HydrophobicContact CB-CG1 3.58Å; E159-I188 HydrophobicContact CG-CG1 3.93Å; V160-I188 HydrophobicContact CG2-CD1 4.13Å; L184-I188 HydrophobicContact CD1-CD1 3.72Å; L184-I188 HydrophobicContact CD1-CG1 4.06Å; L184-I188 HydrophobicContact CG-CD1 3.89Å; L184-I188 WeakPolarHBondContact O-CG1 3.29Å; L184-I188 PolarHBondContact O-N 2.8Å; M185-I188 HydrophobicContact SD-CD1 4.37Å; F186-I188 PolarHBondContact O-N 2.91Å; I188-R191 PolarHBondContact O-N 2.89Å; I188-I192 HydrophobicContact CG2-CD1 3.51Å; I188-I192 HydrophobicContact CG2-CG1 4.38Å; I188-I192 VanDerWaalsContact O-CB 3.3Å; I188-I192 WeakPolarHBondContact O-CB 3.21Å; I188-I192 WeakPolarHBondContact O-CG1 3.33Å; I188-I192 PolarHBondContact O-N 3.5Å; I188-F449 HydrophobicContact CG2-CZ 4.29Å; I188-L453 HydrophobicContact CD1-CD1 4.49Å; I188-L453 HydrophobicContact CG2-CD1 3.79Å |
| 189 | A | 91.9 | Very high | 87.4 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 2% | 0.017 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.8 | -40.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | M185 F186 R187 L193 L300 | M185-A189 WeakPolarHBondContact O-CB 3.31Å; M185-A189 PolarHBondContact O-N 3.16Å; F186-A189 PolarHBondContact O-N 3.15Å; R187-A189 VanDerWaalsContact C-N 3.3Å; R187-A189 PolarHBondContact O-N 3.3Å; A189-L193 HydrophobicContact CB-CD1 3.84Å; A189-L193 HydrophobicContact CB-CG 4.42Å; A189-L193 WeakPolarHBondContact O-CA 3.34Å; A189-L193 WeakPolarHBondContact O-CB 3.21Å; A189-L193 WeakPolarHBondContact O-CG 3.5Å; A189-L193 PolarHBondContact O-N 3.44Å; A189-L300 HydrophobicContact CB-CD2 3.78Å |
| 190 | M | 89.3 | Confident | 85.7 | Confident | 20 Ų | 20 | 27.4 Ų | 27.4 | 10% | 0.099 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.3 | -46.1 | 176.8 | -75.1 | -65 | -65.1 | 0 | 0 | 112.1 | F186 R187 L194 G195 C196 L212 L300 | F186-M190 HydrophobicContact CD1-CG 3.81Å; F186-M190 HydrophobicContact CE1-CG 3.44Å; F186-M190 VanDerWaalsContact CE1-CG 3.44Å; F186-M190 HydrophobicContact CE1-SD 4.05Å; F186-M190 HydrophobicContact CE2-CG 4.42Å; F186-M190 HydrophobicContact CE2-SD 4.47Å; F186-M190 HydrophobicContact CG-CG 4.47Å; F186-M190 HydrophobicContact CZ-CG 3.79Å; F186-M190 HydrophobicContact CZ-SD 3.82Å; F186-M190 WeakPolarHBondContact O-CG 3.38Å; F186-M190 PolarHBondContact O-N 3.24Å; R187-M190 PolarHBondContact O-N 3.08Å; M190-L194 HydrophobicContact CE-CD1 4.27Å; M190-L194 CarbonylContact O-C 3.49Å; M190-L194 WeakPolarHBondContact O-CB 3.34Å; M190-L194 PolarHBondContact O-N 3.45Å; M190-L194 HydrophobicContact SD-CD1 3.8Å; M190-G195 PolarHBondContact O-N 3.43Å; M190-C196 HydrophobicContact CB-CB 4.44Å; M190-C196 HydrophobicContact CE-CB 3.82Å; M190-C196 PolarHBondContact O-N 2.65Å; M190-C196 VanDerWaalsContact O-N 3.16Å; M190-L212 HydrophobicContact CE-CD1 4.11Å; M190-L300 HydrophobicContact SD-CD1 4.21Å; M190-L300 HydrophobicContact SD-CD2 4.03Å |
| 191 | R | 90.4 | Very high | 83.6 | Confident | 23 Ų | 23 | 30 Ų | 30 | 9% | 0.087 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.2 | -51.5 | 179 | -68 | -176.5 | 74.4 | -164.1 | -2.1 | 111.7 | V155 E158 E159 R187 I188 G195 C196 E197 | V155-R191 HydrophobicContact CG1-CB 3.88Å; E158-R191 IonicContact OE2-CZ 3.39Å; E158-R191 VanDerWaalsContact OE2-CZ 3.29Å; E158-R191 IonicContact OE2-NH1 2.93Å; E158-R191 PolarHBondContact OE2-NH1 3.44Å; E158-R191 IonicContact OE2-NH2 3.11Å; E158-R191 PolarHBondContact OE2-NH2 3.34Å; E159-R191 WeakPolarHBondContact OE1-CD 3.29Å; E159-R191 IonicContact OE1-CZ 2.79Å; E159-R191 IonicContact OE1-NE 3.45Å; E159-R191 IonicContact OE1-NH1 3.61Å; E159-R191 PolarHBondContact OE1-NH1 3.44Å; R187-R191 PolarHBondContact O-N 3.11Å; I188-R191 PolarHBondContact O-N 2.89Å; R191-G195 WeakPolarHBondContact O-CA 3.48Å; R191-G195 PolarHBondContact O-N 2.93Å; R191-C196 WeakPolarHBondContact CG-O 3.39Å; R191-E197 IonicContact CZ-OE2 2.69Å; R191-E197 IonicContact NE-OE1 3.56Å; R191-E197 IonicContact NE-OE2 2.8Å; R191-E197 PolarHBondContact NE-OE2 2.91Å; R191-E197 IonicContact NH2-OE2 2.68Å; R191-E197 PolarHBondContact NH2-OE2 2.85Å |
| 192 | I | 92.3 | Very high | 81.4 | Confident | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -78.6 | -39.3 | -172.1 | -64.3 | 175 | 0 | 0 | 0 | 112.6 | Y152 V155 I156 I188 D271 A272 F449 | Y152-I192 HydrophobicContact CD1-CG2 3.62Å; Y152-I192 HydrophobicContact CD2-CG2 3.44Å; Y152-I192 VanDerWaalsContact CD2-CG2 3.44Å; Y152-I192 HydrophobicContact CE1-CG2 3.79Å; Y152-I192 HydrophobicContact CE2-CG2 3.61Å; Y152-I192 HydrophobicContact CG-CG2 3.46Å; Y152-I192 VanDerWaalsContact CG-CG2 3.46Å; V155-I192 HydrophobicContact CB-CD1 4.49Å; V155-I192 HydrophobicContact CB-CG1 4.24Å; V155-I192 HydrophobicContact CG1-CD1 4.34Å; V155-I192 HydrophobicContact CG1-CG1 3.85Å; I156-I192 HydrophobicContact CD1-CD1 3.93Å; I156-I192 HydrophobicContact CG1-CD1 3.29Å; I188-I192 HydrophobicContact CG2-CD1 3.51Å; I188-I192 HydrophobicContact CG2-CG1 4.38Å; I188-I192 VanDerWaalsContact O-CB 3.3Å; I188-I192 WeakPolarHBondContact O-CB 3.21Å; I188-I192 WeakPolarHBondContact O-CG1 3.33Å; I188-I192 PolarHBondContact O-N 3.5Å; I192-D271 WeakPolarHBondContact O-CA 3.44Å; I192-D271 WeakPolarHBondContact O-CB 3.37Å; I192-A272 PolarHBondContact O-N 2.99Å; I192-F449 HydrophobicContact CD1-CE2 3.86Å; I192-F449 HydrophobicContact CD1-CZ 4.13Å; I192-F449 HydrophobicContact CG2-CE2 3.83Å; I192-F449 HydrophobicContact CG2-CZ 4.3Å |
| 193 | L | 89.6 | Confident | 79.4 | Confident | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -89.5 | -30.1 | -172.9 | -50.1 | 175.6 | 0 | 0 | 0 | 112.1 | F144 A189 A272 L273 L299 | F144-L193 HydrophobicContact CE1-CD2 3.84Å; F144-L193 HydrophobicContact CZ-CD2 3.97Å; A189-L193 HydrophobicContact CB-CD1 3.84Å; A189-L193 HydrophobicContact CB-CG 4.42Å; A189-L193 WeakPolarHBondContact O-CA 3.34Å; A189-L193 WeakPolarHBondContact O-CB 3.21Å; A189-L193 WeakPolarHBondContact O-CG 3.5Å; A189-L193 PolarHBondContact O-N 3.44Å; L193-A272 HydrophobicContact CB-CB 4.39Å; L193-A272 HydrophobicContact CD2-CB 4.02Å; L193-L273 VanDerWaalsContact O-CB 3.28Å; L193-L273 WeakPolarHBondContact O-CB 3.36Å; L193-L273 PolarHBondContact O-N 2.92Å; L193-L299 HydrophobicContact CB-CB 4.42Å; L193-L299 HydrophobicContact CD1-CB 4.06Å; L193-L299 VanDerWaalsContact CD1-O 3.31Å; L193-L299 WeakPolarHBondContact CD1-O 3.31Å |
| 194 | L | 88.4 | Confident | 77.8 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -115.3 | -13 | -178.4 | -53.5 | -173 | 0 | 0 | 0 | 114 | M190 C196 I249 N252 K256 L273 L300 | M190-L194 HydrophobicContact CE-CD1 4.27Å; M190-L194 CarbonylContact O-C 3.49Å; M190-L194 WeakPolarHBondContact O-CB 3.34Å; M190-L194 PolarHBondContact O-N 3.45Å; M190-L194 HydrophobicContact SD-CD1 3.8Å; L194-C196 VanDerWaalsContact C-N 3.29Å; L194-C196 PolarHBondContact O-N 3.36Å; L194-I249 HydrophobicContact CD1-CD1 4.4Å; L194-I249 HydrophobicContact CD1-CG1 4.01Å; L194-N252 PolarHBondContact O-ND2 3.47Å; L194-K256 WeakPolarHBondContact O-CE 3.5Å; L194-K256 PolarHBondContact O-NZ 2.91Å; L194-L273 HydrophobicContact CD2-CD2 4.2Å; L194-L300 HydrophobicContact CD1-CD1 3.65Å; L194-L300 HydrophobicContact CD1-CD2 4.07Å; L194-L300 HydrophobicContact CD1-CG 4.01Å; L194-L300 HydrophobicContact CG-CD1 4.46Å; L194-L300 HydrophobicContact CG-CD2 4.17Å; L194-L300 HydrophobicContact CG-CG 4.29Å |
| 195 | G | 86.1 | Confident | 76.3 | Confident | 17 Ų | 17 | 28.4 Ų | 28.4 | 18% | 0.175 | 21% | 0.206 | C | C | . | . | trans | 66.6 | 31.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | M190 R191 E197 | M190-G195 PolarHBondContact O-N 3.43Å; R191-G195 WeakPolarHBondContact O-CA 3.48Å; R191-G195 PolarHBondContact O-N 2.93Å; G195-E197 PolarHBondContact O-N 3.35Å | ||
| 196 | C | 81.2 | Confident | 75 | Confident | 7 Ų | 7 | 36.7 Ų | 36.7 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | trans | -86.7 | 97.9 | 173.9 | -70.8 | 0 | 0 | 0 | 0 | 109.2 | M190 R191 L194 N252 | M190-C196 HydrophobicContact CB-CB 4.44Å; M190-C196 HydrophobicContact CE-CB 3.82Å; M190-C196 PolarHBondContact O-N 2.65Å; M190-C196 VanDerWaalsContact O-N 3.16Å; R191-C196 WeakPolarHBondContact CG-O 3.39Å; L194-C196 VanDerWaalsContact C-N 3.29Å; L194-C196 PolarHBondContact O-N 3.36Å; C196-N252 PolarHBondContact SG-ND2 3.4Å; C196-N252 VanDerWaalsContact SG-ND2 3.38Å | ||
| 197 | E | 71.5 | Confident | 74 | Confident | 82 Ų | 82 | 44.8 Ų | 44.8 | 38% | 0.383 | 28% | 0.282 | S | S | . | . | trans | -77.3 | 143.2 | 175.9 | -68.1 | -58.1 | 147 | 0 | 0 | 111.8 | R191 G195 G199 S200 S203 | R191-E197 IonicContact CZ-OE2 2.69Å; R191-E197 IonicContact NE-OE1 3.56Å; R191-E197 IonicContact NE-OE2 2.8Å; R191-E197 PolarHBondContact NE-OE2 2.91Å; R191-E197 IonicContact NH2-OE2 2.68Å; R191-E197 PolarHBondContact NH2-OE2 2.85Å; G195-E197 PolarHBondContact O-N 3.35Å; E197-G199 PolarHBondContact O-N 3.48Å; E197-S200 VanDerWaalsContact O-CB 3.31Å; E197-S200 WeakPolarHBondContact O-CB 3.26Å; E197-S200 PolarHBondContact O-N 2.98Å; E197-S200 PolarHBondContact O-OG 3.34Å; E197-S203 WeakPolarHBondContact O-CB 3.35Å; E197-S203 PolarHBondContact O-OG 3.13Å; E197-S203 VanDerWaalsContact O-OG 3.05Å | ||
| 198 | P | 63.8 | Low | 73.1 | Confident | 79 Ų | 79 | 46 Ų | 46 | 51% | 0.513 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 133.4 | 173.6 | -22.7 | 32.5 | 0 | 0 | 0 | 111.9 | S200 | P198-S200 PolarHBondContact O-N 3.42Š|
| 199 | G | 56.6 | Low | 72.2 | Confident | 76 Ų | 76 | 48.8 Ų | 48.8 | 78% | 0.784 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 6.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | E197 S203 | E197-G199 PolarHBondContact O-N 3.48Å; G199-S203 PolarHBondContact N-OG 3.2Å; G199-S203 VanDerWaalsContact N-OG 3.15Å |
| 200 | S | 58.3 | Low | 71.6 | Confident | 36 Ų | 36 | 52.2 Ų | 52.2 | 25% | 0.252 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -76.8 | 155.7 | 173.1 | 70.8 | 0 | 0 | 0 | 0 | 111.7 | E197 P198 A202 S203 G204 | E197-S200 VanDerWaalsContact O-CB 3.31Å; E197-S200 WeakPolarHBondContact O-CB 3.26Å; E197-S200 PolarHBondContact O-N 2.98Å; E197-S200 PolarHBondContact O-OG 3.34Å; P198-S200 PolarHBondContact O-N 3.42Å; S200-A202 PolarHBondContact O-N 3.41Å; S200-A202 PolarHBondContact OG-N 3.21Å; S200-S203 PolarHBondContact N-OG 3.2Å; S200-S203 PolarHBondContact O-N 3.01Å; S200-S203 PolarHBondContact O-OG 3.12Å; S200-S203 PolarHBondContact OG-N 3.18Å; S200-S203 PolarHBondContact OG-OG 3.34Å; S200-G204 PolarHBondContact O-N 3.24Å |
| 201 | A | 51.2 | Low | 71.4 | Confident | 101 Ų | 101 | 56 Ų | 56 | 84% | 0.835 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -21.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R248 | A201-R248 PolarHBondContact O-NH1 3.01Å; A201-R248 PolarHBondContact O-NH2 3.43Å |
| 202 | A | 50.8 | Low | 71.2 | Confident | 22 Ų | 22 | 55.6 Ų | 55.6 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -13.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S200 R248 | S200-A202 PolarHBondContact O-N 3.41Å; S200-A202 PolarHBondContact OG-N 3.21Å; A202-R248 PolarHBondContact O-NE 3.3Å; A202-R248 PolarHBondContact O-NH2 3.28Å |
| 203 | S | 50.4 | Low | 70.8 | Confident | 10 Ų | 10 | 56.2 Ų | 56.2 | 7% | 0.07 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -30.8 | 166 | 60.8 | 0 | 0 | 0 | 0 | 111.5 | E197 G199 S200 R248 | E197-S203 WeakPolarHBondContact O-CB 3.35Å; E197-S203 PolarHBondContact O-OG 3.13Å; E197-S203 VanDerWaalsContact O-OG 3.05Å; G199-S203 PolarHBondContact N-OG 3.2Å; G199-S203 VanDerWaalsContact N-OG 3.15Å; S200-S203 PolarHBondContact N-OG 3.2Å; S200-S203 PolarHBondContact O-N 3.01Å; S200-S203 PolarHBondContact O-OG 3.12Å; S200-S203 PolarHBondContact OG-N 3.18Å; S200-S203 PolarHBondContact OG-OG 3.34Å; S203-R248 PolarHBondContact O-NH2 3.49Å |
| 204 | G | 57.5 | Low | 70.8 | Confident | 17 Ų | 17 | 61.2 Ų | 61.2 | 18% | 0.175 | 37% | 0.365 | C | S | . | . | trans | 76.7 | -176.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 110 | S200 D208 | S200-G204 PolarHBondContact O-N 3.24Å; G204-D208 WeakPolarHBondContact CA-OD2 3.3Å | ||
| 205 | G | 64.2 | Low | 71 | Confident | 45 Ų | 45 | 61.5 Ų | 61.5 | 46% | 0.464 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -68.9 | 177.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E207 D208 E209 | G205-E207 PolarHBondContact O-N 2.85Å; G205-E207 VanDerWaalsContact O-N 3.16Å; G205-D208 PolarHBondContact N-OD2 2.87Å; G205-D208 WeakPolarHBondContact O-CB 3.43Å; G205-D208 PolarHBondContact O-N 3.23Å; G205-E209 PolarHBondContact O-N 3.07Å |
| 206 | E | 66.9 | Low | 71.2 | Confident | 175 Ų | 175 | 60.8 Ų | 60.8 | 82% | 0.818 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -54.2 | -34 | 174.3 | -69.3 | -177.8 | 170.8 | 0 | 0 | 112.5 | D208 E209 Q210 | E206-D208 VanDerWaalsContact C-N 3.34Å; E206-D208 PolarHBondContact O-N 3.44Å; E206-E209 PolarHBondContact O-N 3.44Å; E206-Q210 WeakPolarHBondContact O-CB 3.07Å; E206-Q210 PolarHBondContact O-N 3.2Å |
| 207 | E | 68.8 | Low | 71.6 | Confident | 173 Ų | 173 | 63.6 Ų | 63.6 | 81% | 0.808 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64.1 | -36.1 | 175.8 | -66.2 | -176.3 | 172.1 | 0 | 0 | 112.8 | G205 Q211 | G205-E207 PolarHBondContact O-N 2.85Å; G205-E207 VanDerWaalsContact O-N 3.16Å; E207-Q211 WeakPolarHBondContact O-CB 3.44Å; E207-Q211 PolarHBondContact O-N 2.85Å |
| 208 | D | 72.9 | Confident | 72.6 | Confident | 72 Ų | 72 | 61.7 Ų | 61.7 | 39% | 0.385 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -72.7 | -39.1 | 179.1 | -68.1 | -39.4 | 0 | 0 | 0 | 111.1 | G204 G205 E206 Q211 L212 | G204-D208 WeakPolarHBondContact CA-OD2 3.3Å; G205-D208 PolarHBondContact N-OD2 2.87Å; G205-D208 WeakPolarHBondContact O-CB 3.43Å; G205-D208 PolarHBondContact O-N 3.23Å; E206-D208 VanDerWaalsContact C-N 3.34Å; E206-D208 PolarHBondContact O-N 3.44Å; D208-Q211 PolarHBondContact O-N 2.92Å; D208-L212 WeakPolarHBondContact O-CG 3.25Å; D208-L212 PolarHBondContact O-N 2.86Å |
| 209 | E | 74.4 | Confident | 74 | Confident | 59 Ų | 59 | 58 Ų | 58 | 28% | 0.276 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63 | -46.7 | 174.9 | -173.9 | -179.3 | 159.4 | 0 | 0 | 111 | R187 G205 E206 Q211 L212 V213 | R187-E209 WeakPolarHBondContact CD-OE1 3.31Å; R187-E209 WeakPolarHBondContact CG-OE1 3.21Å; G205-E209 PolarHBondContact O-N 3.07Å; E206-E209 PolarHBondContact O-N 3.44Å; E209-Q211 VanDerWaalsContact C-N 3.3Å; E209-Q211 PolarHBondContact O-N 3.12Å; E209-L212 WeakPolarHBondContact O-CB 3.35Å; E209-L212 PolarHBondContact O-N 2.95Å; E209-L212 VanDerWaalsContact O-N 3.13Å; E209-V213 WeakPolarHBondContact O-CG2 3.44Å; E209-V213 PolarHBondContact O-N 3.44Å |
| 210 | Q | 78.5 | Confident | 75.6 | Confident | 75 Ų | 75 | 55.2 Ų | 55.2 | 35% | 0.35 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61 | -40.3 | 177.7 | -177.3 | 57.7 | 33.4 | 0 | 0 | 111.3 | E206 L212 V213 E214 | E206-Q210 WeakPolarHBondContact O-CB 3.07Å; E206-Q210 PolarHBondContact O-N 3.2Å; Q210-L212 VanDerWaalsContact C-N 3.35Å; Q210-L212 PolarHBondContact O-N 2.9Å; Q210-V213 PolarHBondContact O-N 3.45Å; Q210-E214 PolarHBondContact NE2-OE1 3.24Å; Q210-E214 WeakPolarHBondContact O-CG 3.32Å; Q210-E214 PolarHBondContact O-N 3.29Å |
| 211 | Q | 85.3 | Confident | 77.2 | Confident | 99 Ų | 99 | 61.8 Ų | 61.8 | 46% | 0.463 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 174.9 | -172.3 | -176.9 | 77.8 | 0 | 0 | 112.3 | E207 D208 E209 E214 A215 L244 | E207-Q211 WeakPolarHBondContact O-CB 3.44Å; E207-Q211 PolarHBondContact O-N 2.85Å; D208-Q211 PolarHBondContact O-N 2.92Å; E209-Q211 VanDerWaalsContact C-N 3.3Å; E209-Q211 PolarHBondContact O-N 3.12Å; Q211-E214 PolarHBondContact O-N 2.75Å; Q211-A215 VanDerWaalsContact O-CB 3.3Å; Q211-A215 WeakPolarHBondContact O-CB 3.49Å; Q211-A215 PolarHBondContact O-N 3.32Å; Q211-L244 HydrophobicContact CG-CD2 4.09Å |
| 212 | L | 85.7 | Confident | 79.2 | Confident | 14 Ų | 14 | 57.9 Ų | 57.9 | 7% | 0.073 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 176.4 | -72.3 | 167 | 0 | 0 | 0 | 112.2 | F186 M190 D208 E209 Q210 A215 F216 R248 | F186-L212 HydrophobicContact CZ-CB 4.26Å; M190-L212 HydrophobicContact CE-CD1 4.11Å; D208-L212 WeakPolarHBondContact O-CG 3.25Å; D208-L212 PolarHBondContact O-N 2.86Å; E209-L212 WeakPolarHBondContact O-CB 3.35Å; E209-L212 PolarHBondContact O-N 2.95Å; E209-L212 VanDerWaalsContact O-N 3.13Å; Q210-L212 VanDerWaalsContact C-N 3.35Å; Q210-L212 PolarHBondContact O-N 2.9Å; L212-A215 PolarHBondContact O-N 3.02Å; L212-F216 VanDerWaalsContact O-CB 3.26Å; L212-F216 WeakPolarHBondContact O-CB 3.31Å; L212-F216 PolarHBondContact O-N 3.11Å; L212-R248 HydrophobicContact CD1-CG 3.93Å; L212-R248 HydrophobicContact CD2-CB 3.81Å; L212-R248 HydrophobicContact CD2-CG 3.97Å |
| 213 | V | 84.4 | Confident | 81 | Confident | 17 Ų | 17 | 56.9 Ų | 56.9 | 10% | 0.103 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.8 | -51.4 | 173.4 | 173.4 | 0 | 0 | 0 | 0 | 109.7 | F186 E209 Q210 A215 F216 E217 | F186-V213 HydrophobicContact CD1-CB 4.49Å; F186-V213 HydrophobicContact CD1-CG2 3.38Å; F186-V213 HydrophobicContact CE1-CB 4.32Å; F186-V213 HydrophobicContact CE1-CG2 3.37Å; F186-V213 HydrophobicContact CG-CG2 4.1Å; F186-V213 HydrophobicContact CZ-CG2 4.12Å; E209-V213 WeakPolarHBondContact O-CG2 3.44Å; E209-V213 PolarHBondContact O-N 3.44Å; Q210-V213 PolarHBondContact O-N 3.45Å; V213-A215 PolarHBondContact O-N 2.61Å; V213-F216 WeakPolarHBondContact O-CB 3.46Å; V213-F216 PolarHBondContact O-N 3.09Å; V213-F216 VanDerWaalsContact O-N 3.14Å; V213-E217 HydrophobicContact CG1-CG 4.45Å; V213-E217 WeakPolarHBondContact O-CG 3.22Å; V213-E217 PolarHBondContact O-N 3.38Å |
| 214 | E | 89.3 | Confident | 82.8 | Confident | 107 Ų | 107 | 61 Ų | 61 | 50% | 0.5 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | -179.3 | -74 | 174.6 | -166 | 0 | 0 | 112.5 | Q210 Q211 F216 E217 E218 | Q210-E214 PolarHBondContact NE2-OE1 3.24Å; Q210-E214 WeakPolarHBondContact O-CG 3.32Å; Q210-E214 PolarHBondContact O-N 3.29Å; Q211-E214 PolarHBondContact O-N 2.75Å; E214-F216 VanDerWaalsContact C-N 3.31Å; E214-F216 PolarHBondContact O-N 2.96Å; E214-E217 PolarHBondContact O-N 3.17Å; E214-E218 WeakPolarHBondContact O-CB 3.24Å; E214-E218 PolarHBondContact O-N 3.48Å |
| 215 | A | 92.4 | Very high | 84.4 | Confident | 9 Ų | 9 | 61.3 Ų | 61.3 | 7% | 0.074 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60 | -44.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q211 L212 V213 E218 M219 A241 L244 I245 | Q211-A215 VanDerWaalsContact O-CB 3.3Å; Q211-A215 WeakPolarHBondContact O-CB 3.49Å; Q211-A215 PolarHBondContact O-N 3.32Å; L212-A215 PolarHBondContact O-N 3.02Å; V213-A215 PolarHBondContact O-N 2.61Å; A215-E218 PolarHBondContact O-N 2.98Å; A215-M219 WeakPolarHBondContact O-CB 3.32Å; A215-M219 PolarHBondContact O-N 2.98Å; A215-A241 WeakPolarHBondContact O-CB 3.07Å; A215-L244 HydrophobicContact CB-CD2 3.8Å; A215-L244 HydrophobicContact CB-CG 4.38Å; A215-I245 HydrophobicContact CB-CD1 4.33Å; A215-I245 HydrophobicContact CB-CG1 3.99Å |
| 216 | F | 90.6 | Very high | 85.6 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.009 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.3 | -40 | 179.1 | -173.8 | -94.7 | 0 | 0 | 0 | 112.6 | F186 L212 V213 E214 M219 T220 I245 L300 H304 | F186-F216 HydrophobicContact CD2-CB 4.44Å; F186-F216 AromaticContact CD2-CD1 3.89Å; F186-F216 HydrophobicContact CD2-CD1 3.89Å; F186-F216 HydrophobicContact CD2-CE1 4.31Å; F186-F216 HydrophobicContact CD2-CG 4.15Å; F186-F216 HydrophobicContact CE2-CB 3.66Å; F186-F216 AromaticContact CE2-CD1 3.86Å; F186-F216 HydrophobicContact CE2-CD1 3.86Å; F186-F216 HydrophobicContact CE2-CD2 4.16Å; F186-F216 AromaticContact CE2-CG 3.63Å; F186-F216 HydrophobicContact CE2-CG 3.63Å; F186-F216 HydrophobicContact CZ-CB 4.35Å; L212-F216 VanDerWaalsContact O-CB 3.26Å; L212-F216 WeakPolarHBondContact O-CB 3.31Å; L212-F216 PolarHBondContact O-N 3.11Å; V213-F216 WeakPolarHBondContact O-CB 3.46Å; V213-F216 PolarHBondContact O-N 3.09Å; V213-F216 VanDerWaalsContact O-N 3.14Å; E214-F216 VanDerWaalsContact C-N 3.31Å; E214-F216 PolarHBondContact O-N 2.96Å; F216-M219 HydrophobicContact CD2-CE 3.56Å; F216-M219 HydrophobicContact CE2-CE 3.62Å; F216-M219 HydrophobicContact CG-CE 4.47Å; F216-M219 PolarHBondContact O-N 3.21Å; F216-T220 HydrophobicContact CD1-CG2 4.15Å; F216-T220 HydrophobicContact CE1-CG2 3.78Å; F216-T220 HydrophobicContact CZ-CG2 4.02Å; F216-T220 WeakPolarHBondContact O-CB 3.29Å; F216-T220 WeakPolarHBondContact O-CG2 3.29Å; F216-T220 PolarHBondContact O-N 2.83Å; F216-T220 PolarHBondContact O-OG1 2.93Å; F216-I245 HydrophobicContact CB-CD1 4.16Å; F216-I245 HydrophobicContact CD2-CD1 4.2Å; F216-L300 HydrophobicContact CE2-CB 3.73Å; F216-L300 HydrophobicContact CZ-CB 4.22Å; F216-H304 HydrophobicContact CE1-CB 3.92Å; F216-H304 AromaticContact CE1-CE1 3.95Å; F216-H304 AromaticContact CE1-CG 3.71Å; F216-H304 AromaticContact CE1-ND1 3.39Å; F216-H304 WeakPolarHBondContact CE1-ND1 3.34Å; F216-H304 HydrophobicContact CZ-CB 4.09Å |
| 217 | E | 89.5 | Confident | 86.6 | Confident | 65 Ų | 65 | 60.9 Ų | 60.9 | 30% | 0.304 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 173.2 | -68.5 | -150.6 | 131.2 | 0 | 0 | 112.5 | K182 V213 E214 T220 R221 | K182-E217 IonicContact NZ-OE1 3.59Å; K182-E217 PolarHBondContact NZ-OE1 3.15Å; V213-E217 HydrophobicContact CG1-CG 4.45Å; V213-E217 WeakPolarHBondContact O-CG 3.22Å; V213-E217 PolarHBondContact O-N 3.38Å; E214-E217 PolarHBondContact O-N 3.17Å; E217-T220 WeakPolarHBondContact CA-OG1 3.26Å; E217-T220 PolarHBondContact O-N 2.91Å; E217-T220 PolarHBondContact O-OG1 3.44Å; E217-R221 WeakPolarHBondContact O-CB 3.28Å; E217-R221 PolarHBondContact O-N 3.36Å |
| 218 | E | 93.3 | Very high | 87.7 | Confident | 43 Ų | 43 | 57 Ų | 57 | 20% | 0.201 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67 | -38.7 | 176.3 | -172 | 63.5 | -163.6 | 0 | 0 | 111.2 | E214 A215 R221 N222 R237 A241 | E214-E218 WeakPolarHBondContact O-CB 3.24Å; E214-E218 PolarHBondContact O-N 3.48Å; A215-E218 PolarHBondContact O-N 2.98Å; E218-R221 IonicContact OE2-CZ 2.72Å; E218-R221 IonicContact OE2-NH1 3.59Å; E218-R221 PolarHBondContact OE2-NH1 2.86Å; E218-N222 PolarHBondContact O-N 2.93Å; E218-N222 PolarHBondContact O-ND2 3.35Å; E218-N222 PolarHBondContact OE1-ND2 2.93Å; E218-R237 HydrophobicContact CG-CB 4.43Å; E218-R237 WeakPolarHBondContact OE1-CB 3.41Å; E218-R237 WeakPolarHBondContact OE1-CD 3.46Å; E218-A241 HydrophobicContact CB-CB 4.19Å; E218-A241 HydrophobicContact CG-CB 4.36Å |
| 219 | M | 93.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.9 | -52.1 | 173.3 | -176.7 | -173.7 | 68 | 0 | 0 | 111 | I119 A215 F216 N222 L223 A241 R242 I245 T297 | I119-M219 HydrophobicContact CG2-CG 3.46Å; I119-M219 VanDerWaalsContact CG2-CG 3.46Å; I119-M219 HydrophobicContact CG2-SD 4.33Å; A215-M219 WeakPolarHBondContact O-CB 3.32Å; A215-M219 PolarHBondContact O-N 2.98Å; F216-M219 HydrophobicContact CD2-CE 3.56Å; F216-M219 HydrophobicContact CE2-CE 3.62Å; F216-M219 HydrophobicContact CG-CE 4.47Å; F216-M219 PolarHBondContact O-N 3.21Å; M219-N222 PolarHBondContact O-N 3.39Å; M219-L223 PolarHBondContact O-N 2.9Å; M219-A241 HydrophobicContact CB-CB 4.02Å; M219-R242 HydrophobicContact CG-CB 4.44Å; M219-R242 HydrophobicContact SD-CB 4.1Å; M219-R242 HydrophobicContact SD-CG 4.42Å; M219-I245 HydrophobicContact CB-CD1 4.14Å; M219-I245 HydrophobicContact CE-CD1 4.01Å; M219-I245 HydrophobicContact SD-CD1 3.76Å; M219-T297 HydrophobicContact CE-CG2 3.87Å; M219-T297 HydrophobicContact SD-CG2 3.86Å |
| 220 | T | 90.3 | Very high | 89.5 | Confident | 18 Ų | 18 | 58 Ų | 58 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.6 | -40.9 | -176.5 | 50.4 | 0 | 0 | 0 | 0 | 112.8 | F216 E217 N222 L223 F301 | F216-T220 HydrophobicContact CD1-CG2 4.15Å; F216-T220 HydrophobicContact CE1-CG2 3.78Å; F216-T220 HydrophobicContact CZ-CG2 4.02Å; F216-T220 WeakPolarHBondContact O-CB 3.29Å; F216-T220 WeakPolarHBondContact O-CG2 3.29Å; F216-T220 PolarHBondContact O-N 2.83Å; F216-T220 PolarHBondContact O-OG1 2.93Å; E217-T220 WeakPolarHBondContact CA-OG1 3.26Å; E217-T220 PolarHBondContact O-N 2.91Å; E217-T220 PolarHBondContact O-OG1 3.44Å; T220-N222 PolarHBondContact O-N 3.46Å; T220-L223 HydrophobicContact CG2-CD1 4.49Å; T220-L223 PolarHBondContact O-N 3.45Å; T220-F301 HydrophobicContact CG2-CD2 3.89Å; T220-F301 HydrophobicContact CG2-CE2 4.19Å |
| 221 | R | 90.2 | Very high | 90.1 | Very high | 175 Ų | 175 | 58.9 Ų | 58.9 | 66% | 0.66 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -56.8 | -33.5 | 175.2 | -175.7 | -174.2 | -62 | 169 | -4.7 | 112.6 | E217 E218 | E217-R221 WeakPolarHBondContact O-CB 3.28Å; E217-R221 PolarHBondContact O-N 3.36Å; E218-R221 IonicContact OE2-CZ 2.72Å; E218-R221 IonicContact OE2-NH1 3.59Å; E218-R221 PolarHBondContact OE2-NH1 2.86Å |
| 222 | N | 93.2 | Very high | 90.4 | Very high | 18 Ų | 18 | 61.7 Ų | 61.7 | 10% | 0.096 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -97.1 | -2.1 | -174.1 | -73.2 | -63.2 | 0 | 0 | 0 | 114.6 | I119 E218 M219 T220 F224 S225 G234 | I119-N222 HydrophobicContact CD1-CB 4.3Å; I119-N222 WeakPolarHBondContact CD1-O 3.24Å; E218-N222 PolarHBondContact O-N 2.93Å; E218-N222 PolarHBondContact O-ND2 3.35Å; E218-N222 PolarHBondContact OE1-ND2 2.93Å; M219-N222 PolarHBondContact O-N 3.39Å; T220-N222 PolarHBondContact O-N 3.46Å; N222-F224 PolarHBondContact O-N 3.45Å; N222-F224 VanDerWaalsContact O-N 3.1Å; N222-S225 VanDerWaalsContact O-CB 3.27Å; N222-S225 WeakPolarHBondContact O-CB 3.03Å; N222-S225 PolarHBondContact O-N 2.89Å; N222-S225 PolarHBondContact O-OG 2.91Å; N222-G234 WeakPolarHBondContact CB-O 2.95Å; N222-G234 WeakPolarHBondContact OD1-CA 3.36Å; N222-G234 PolarHBondContact OD1-O 2.97Å |
| 223 | L | 90.2 | Very high | 90.8 | Very high | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -37.4 | -178.7 | -79.4 | 173.4 | 0 | 0 | 0 | 113.9 | S115 V116 I119 L120 M219 T220 F301 | S115-L223 CarbonylContact C-O 3.54Å; S115-L223 WeakPolarHBondContact CB-O 3.45Å; S115-L223 PolarHBondContact OG-O 3.14Å; V116-L223 WeakPolarHBondContact CA-O 3.3Å; V116-L223 HydrophobicContact CG1-CD2 4.48Å; V116-L223 HydrophobicContact CG2-CB 4.28Å; V116-L223 WeakPolarHBondContact CG2-O 3.3Å; V116-L223 PolarHBondContact N-O 2.89Å; I119-L223 HydrophobicContact CB-CD2 3.95Å; I119-L223 HydrophobicContact CG2-CD2 3.66Å; L120-L223 HydrophobicContact CD1-CD2 4.33Å; L120-L223 HydrophobicContact CD2-CD2 3.81Å; L120-L223 HydrophobicContact CG-CD2 3.67Å; M219-L223 PolarHBondContact O-N 2.9Å; T220-L223 HydrophobicContact CG2-CD1 4.49Å; T220-L223 PolarHBondContact O-N 3.45Å; L223-F301 HydrophobicContact CD1-CD2 3.85Å; L223-F301 HydrophobicContact CD1-CE1 4.43Å; L223-F301 HydrophobicContact CD1-CE2 3.23Å; L223-F301 HydrophobicContact CD1-CZ 3.57Å |
| 224 | F | 87.8 | Confident | 91.3 | Very high | 95 Ų | 95 | 61.9 Ų | 61.9 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 22.5 | -178.4 | -64 | -89.4 | 0 | 0 | 0 | 113.3 | W112 P113 V116 N222 P480 | W112-F224 HydrophobicContact CZ3-CE1 4.34Å; W112-F224 AromaticContact CZ3-CZ 3.98Å; W112-F224 HydrophobicContact CZ3-CZ 3.98Å; P113-F224 HydrophobicContact CG-CD1 4.02Å; P113-F224 HydrophobicContact CG-CE1 4.2Å; V116-F224 HydrophobicContact CG2-CD1 4.03Å; V116-F224 HydrophobicContact CG2-CE1 3.96Å; V116-F224 HydrophobicContact CG2-CG 4.38Å; V116-F224 HydrophobicContact CG2-CZ 4.25Å; N222-F224 PolarHBondContact O-N 3.45Å; N222-F224 VanDerWaalsContact O-N 3.1Å; F224-P480 HydrophobicContact CE2-CB 3.92Å; F224-P480 HydrophobicContact CE2-CG 4.39Å |
| 225 | S | 90.7 | Very high | 91.6 | Very high | 24 Ų | 24 | 57.3 Ų | 57.3 | 17% | 0.168 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -65 | 166.7 | 176.2 | 73.7 | 0 | 0 | 0 | 0 | 112.1 | S115 N222 L235 | S115-S225 WeakPolarHBondContact CB-O 3.45Å; S115-S225 PolarHBondContact OG-O 3.45Å; N222-S225 VanDerWaalsContact O-CB 3.27Å; N222-S225 WeakPolarHBondContact O-CB 3.03Å; N222-S225 PolarHBondContact O-N 2.89Å; N222-S225 PolarHBondContact O-OG 2.91Å; S225-L235 WeakPolarHBondContact OG-CA 3.39Å; S225-L235 PolarHBondContact OG-N 2.99Å; S225-L235 VanDerWaalsContact OG-N 3.13Å |
| 226 | L | 89.3 | Confident | 91.8 | Very high | 128 Ų | 128 | 61.2 Ų | 61.2 | 67% | 0.67 | 31% | 0.311 | S | S | * | . | trans | -61.7 | 144.9 | 166.6 | -66.2 | 176.7 | 0 | 0 | 0 | 110.1 | I228 | L226-I228 HydrophobicContact CB-CD1 4.11Å; L226-I228 HydrophobicContact CB-CG1 4.23Å; L226-I228 HydrophobicContact CD1-CD1 4.23Å; L226-I228 PolarHBondContact O-N 3.45Å | ||
| 227 | P | 88.3 | Confident | 92.1 | Very high | 83 Ų | 83 | 67.3 Ų | 67.3 | 54% | 0.539 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -80.8 | 55.8 | -177.9 | 35.5 | -37.2 | 0 | 0 | 0 | 111.4 | A114 | A114-P227 HydrophobicContact CB-CB 3.97Š|
| 228 | I | 91.6 | Very high | 92.4 | Very high | 92 Ų | 92 | 64.2 Ų | 64.2 | 47% | 0.472 | 32% | 0.319 | S | S | . | . | trans | -120 | 116.1 | -179.1 | -57.4 | 171.6 | 0 | 0 | 0 | 106.6 | L226 V230 S233 L235 | L226-I228 HydrophobicContact CB-CD1 4.11Å; L226-I228 HydrophobicContact CB-CG1 4.23Å; L226-I228 HydrophobicContact CD1-CD1 4.23Å; L226-I228 PolarHBondContact O-N 3.45Å; I228-V230 HydrophobicContact CG2-CG1 4.23Å; I228-V230 HydrophobicContact CG2-CG2 4.09Å; I228-S233 WeakPolarHBondContact O-CB 3.48Å; I228-S233 PolarHBondContact O-OG 2.9Å; I228-L235 WeakPolarHBondContact O-CB 3.29Å | ||
| 229 | D | 91.9 | Very high | 92.5 | Very high | 101 Ų | 101 | 63.2 Ų | 63.2 | 54% | 0.54 | 32% | 0.316 | S | S | . | . | trans | -99.6 | 91 | -176.8 | -168 | 11 | 0 | 0 | 0 | 110.7 | L235 | D229-L235 HydrophobicContact CB-CD2 4Š| ||
| 230 | V | 93.9 | Very high | 92.6 | Very high | 50 Ų | 50 | 69.8 Ų | 69.8 | 30% | 0.303 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -140.2 | 153.4 | 177.2 | -64.9 | 0 | 0 | 0 | 0 | 109 | I228 F232 S233 Y236 | I228-V230 HydrophobicContact CG2-CG1 4.23Å; I228-V230 HydrophobicContact CG2-CG2 4.09Å; V230-F232 HydrophobicContact CB-CE1 4.35Å; V230-F232 HydrophobicContact CB-CZ 4.32Å; V230-F232 HydrophobicContact CG2-CD1 4.43Å; V230-F232 HydrophobicContact CG2-CD2 4.09Å; V230-F232 HydrophobicContact CG2-CE1 4.02Å; V230-F232 HydrophobicContact CG2-CE2 3.65Å; V230-F232 HydrophobicContact CG2-CG 4.46Å; V230-F232 HydrophobicContact CG2-CZ 3.61Å; V230-F232 PolarHBondContact O-N 3.02Å; V230-S233 PolarHBondContact N-OG 2.98Å; V230-S233 WeakPolarHBondContact O-CB 3.37Å; V230-S233 PolarHBondContact O-N 3.05Å; V230-S233 PolarHBondContact O-OG 3.47Å; V230-Y236 WeakPolarHBondContact O-CB 3.36Å |
| 231 | P | 90.6 | Very high | 92.9 | Very high | 94 Ų | 94 | 69.3 Ų | 69.3 | 61% | 0.61 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -19.9 | -166.1 | -31.3 | 36.8 | 0 | 0 | 0 | 118 | Y236 | P231-Y236 HydrophobicContact CB-CE1 4.43Å; P231-Y236 WeakPolarHBondContact O-CD1 3.23Å; P231-Y236 WeakPolarHBondContact O-CE1 3.46Å |
| 232 | F | 90.7 | Very high | 93.1 | Very high | 159 Ų | 159 | 63.1 Ų | 63.1 | 70% | 0.697 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -2.9 | 178.9 | 52.1 | -94.6 | 0 | 0 | 0 | 113.8 | V230 | V230-F232 HydrophobicContact CB-CE1 4.35Å; V230-F232 HydrophobicContact CB-CZ 4.32Å; V230-F232 HydrophobicContact CG2-CD1 4.43Å; V230-F232 HydrophobicContact CG2-CD2 4.09Å; V230-F232 HydrophobicContact CG2-CE1 4.02Å; V230-F232 HydrophobicContact CG2-CE2 3.65Å; V230-F232 HydrophobicContact CG2-CG 4.46Å; V230-F232 HydrophobicContact CG2-CZ 3.61Å; V230-F232 PolarHBondContact O-N 3.02Å |
| 233 | S | 95.2 | Very high | 93.2 | Very high | 16 Ų | 16 | 66 Ų | 66 | 11% | 0.112 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -76.5 | 156.3 | 180 | 76.7 | 0 | 0 | 0 | 0 | 111.9 | I228 V230 L235 Y236 R237 | I228-S233 WeakPolarHBondContact O-CB 3.48Å; I228-S233 PolarHBondContact O-OG 2.9Å; V230-S233 PolarHBondContact N-OG 2.98Å; V230-S233 WeakPolarHBondContact O-CB 3.37Å; V230-S233 PolarHBondContact O-N 3.05Å; V230-S233 PolarHBondContact O-OG 3.47Å; S233-L235 VanDerWaalsContact C-N 3.28Å; S233-L235 PolarHBondContact O-N 3.02Å; S233-Y236 PolarHBondContact O-N 3.45Å; S233-Y236 PolarHBondContact OG-N 3.05Å; S233-R237 WeakPolarHBondContact O-CG 3.31Å; S233-R237 PolarHBondContact O-N 2.85Å |
| 234 | G | 95.1 | Very high | 93.4 | Very high | 19 Ų | 19 | 69.3 Ų | 69.3 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.7 | -37.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N222 Y236 R237 G238 | N222-G234 WeakPolarHBondContact CB-O 2.95Å; N222-G234 WeakPolarHBondContact OD1-CA 3.36Å; N222-G234 PolarHBondContact OD1-O 2.97Å; G234-Y236 PolarHBondContact O-N 2.77Å; G234-R237 PolarHBondContact O-N 3.19Å; G234-G238 PolarHBondContact O-N 3.46Å |
| 235 | L | 95.6 | Very high | 93.6 | Very high | 10 Ų | 10 | 65 Ų | 65 | 5% | 0.052 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 179.5 | -179.3 | 61.4 | 0 | 0 | 0 | 111.2 | T118 I119 S225 I228 D229 S233 R237 G238 V239 | T118-L235 HydrophobicContact CG2-CD1 4.02Å; I119-L235 HydrophobicContact CD1-CD1 3.92Å; I119-L235 HydrophobicContact CG1-CD1 3.76Å; S225-L235 WeakPolarHBondContact OG-CA 3.39Å; S225-L235 PolarHBondContact OG-N 2.99Å; S225-L235 VanDerWaalsContact OG-N 3.13Å; I228-L235 WeakPolarHBondContact O-CB 3.29Å; D229-L235 HydrophobicContact CB-CD2 4Å; S233-L235 VanDerWaalsContact C-N 3.28Å; S233-L235 PolarHBondContact O-N 3.02Å; L235-R237 PolarHBondContact O-N 3.04Å; L235-G238 PolarHBondContact O-N 2.87Å; L235-V239 HydrophobicContact CD1-CG2 4.15Å; L235-V239 HydrophobicContact CG-CG2 4.47Å; L235-V239 WeakPolarHBondContact O-CB 3.48Å; L235-V239 VanDerWaalsContact O-CG2 3.32Å; L235-V239 WeakPolarHBondContact O-CG2 3.35Å; L235-V239 PolarHBondContact O-N 3.34Å |
| 236 | Y | 96 | Very high | 93.7 | Very high | 91 Ų | 91 | 64.3 Ų | 64.3 | 36% | 0.357 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.2 | -47.5 | 177.7 | 176.1 | -93.2 | 0 | 0 | 0 | 111.5 | V230 P231 S233 G234 G238 V239 K240 | V230-Y236 WeakPolarHBondContact O-CB 3.36Å; P231-Y236 HydrophobicContact CB-CE1 4.43Å; P231-Y236 WeakPolarHBondContact O-CD1 3.23Å; P231-Y236 WeakPolarHBondContact O-CE1 3.46Å; S233-Y236 PolarHBondContact O-N 3.45Å; S233-Y236 PolarHBondContact OG-N 3.05Å; G234-Y236 PolarHBondContact O-N 2.77Å; Y236-G238 PolarHBondContact O-N 2.91Å; Y236-V239 PolarHBondContact O-N 3.29Å; Y236-K240 HydrophobicContact CE1-CD 4.41Å; Y236-K240 WeakPolarHBondContact O-CB 3.28Å; Y236-K240 PolarHBondContact O-N 2.99Å |
| 237 | R | 96.7 | Very high | 93.9 | Very high | 131 Ų | 131 | 60.5 Ų | 60.5 | 49% | 0.494 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 177.9 | -67.2 | 179.6 | -175.6 | -172.1 | -0.1 | 111.9 | E218 S233 G234 L235 K240 A241 | E218-R237 HydrophobicContact CG-CB 4.43Å; E218-R237 WeakPolarHBondContact OE1-CB 3.41Å; E218-R237 WeakPolarHBondContact OE1-CD 3.46Å; S233-R237 WeakPolarHBondContact O-CG 3.31Å; S233-R237 PolarHBondContact O-N 2.85Å; G234-R237 PolarHBondContact O-N 3.19Å; L235-R237 PolarHBondContact O-N 3.04Å; R237-K240 PolarHBondContact O-N 3.43Å; R237-A241 WeakPolarHBondContact O-CB 3.34Å; R237-A241 PolarHBondContact O-N 2.84Å |
| 238 | G | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | G234 L235 Y236 R242 | G234-G238 PolarHBondContact O-N 3.46Å; L235-G238 PolarHBondContact O-N 2.87Å; Y236-G238 PolarHBondContact O-N 2.91Å; G238-R242 WeakPolarHBondContact O-CB 3.36Å; G238-R242 PolarHBondContact O-N 3.43Å |
| 239 | V | 95.7 | Very high | 93.9 | Very high | 22 Ų | 22 | 54.4 Ų | 54.4 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.6 | -41 | 175.8 | 168.6 | 0 | 0 | 0 | 0 | 111.6 | T118 I119 L235 Y236 R242 N243 | T118-V239 HydrophobicContact CG2-CG2 3.96Å; I119-V239 HydrophobicContact CG1-CG2 4.18Å; L235-V239 HydrophobicContact CD1-CG2 4.15Å; L235-V239 HydrophobicContact CG-CG2 4.47Å; L235-V239 WeakPolarHBondContact O-CB 3.48Å; L235-V239 VanDerWaalsContact O-CG2 3.32Å; L235-V239 WeakPolarHBondContact O-CG2 3.35Å; L235-V239 PolarHBondContact O-N 3.34Å; Y236-V239 PolarHBondContact O-N 3.29Å; V239-R242 WeakPolarHBondContact O-CB 3.1Å; V239-R242 PolarHBondContact O-N 2.62Å; V239-N243 PolarHBondContact O-N 3.05Å; V239-N243 PolarHBondContact O-ND2 3.38Å; V239-N243 PolarHBondContact O-OD1 3.11Å |
| 240 | K | 96.1 | Very high | 94 | Very high | 138 Ų | 138 | 51.6 Ų | 51.6 | 60% | 0.6 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -60.3 | -47.5 | 175.4 | -175.4 | -178.1 | 177.9 | -175.5 | 0 | 111 | Y236 R237 N243 L244 | Y236-K240 HydrophobicContact CE1-CD 4.41Å; Y236-K240 WeakPolarHBondContact O-CB 3.28Å; Y236-K240 PolarHBondContact O-N 2.99Å; R237-K240 PolarHBondContact O-N 3.43Å; K240-N243 PolarHBondContact O-N 3.45Å; K240-L244 PolarHBondContact O-N 2.6Å |
| 241 | A | 95.8 | Very high | 93.8 | Very high | 8 Ų | 8 | 54 Ų | 54 | 7% | 0.066 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A215 E218 M219 R237 N243 L244 I245 | A215-A241 WeakPolarHBondContact O-CB 3.07Å; E218-A241 HydrophobicContact CB-CB 4.19Å; E218-A241 HydrophobicContact CG-CB 4.36Å; M219-A241 HydrophobicContact CB-CB 4.02Å; R237-A241 WeakPolarHBondContact O-CB 3.34Å; R237-A241 PolarHBondContact O-N 2.84Å; A241-N243 VanDerWaalsContact C-N 3.29Å; A241-N243 PolarHBondContact O-N 3.44Å; A241-L244 WeakPolarHBondContact O-CB 3.35Å; A241-L244 PolarHBondContact O-N 2.81Å; A241-I245 WeakPolarHBondContact O-CG1 3.48Å; A241-I245 PolarHBondContact O-N 2.88Å; A241-I245 VanDerWaalsContact O-N 3.14Å |
| 242 | R | 94.9 | Very high | 93.7 | Very high | 45 Ų | 45 | 50 Ų | 50 | 17% | 0.17 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -54.6 | -44.6 | 173.3 | 179.2 | -155.1 | 73.8 | -172.5 | -1.9 | 112.1 | T118 I119 M219 G238 V239 L244 I245 H246 | T118-R242 PolarHBondContact O-NH1 3.18Å; I119-R242 WeakPolarHBondContact O-CD 3.25Å; I119-R242 WeakPolarHBondContact O-CG 3.37Å; M219-R242 HydrophobicContact CG-CB 4.44Å; M219-R242 HydrophobicContact SD-CB 4.1Å; M219-R242 HydrophobicContact SD-CG 4.42Å; G238-R242 WeakPolarHBondContact O-CB 3.36Å; G238-R242 PolarHBondContact O-N 3.43Å; V239-R242 WeakPolarHBondContact O-CB 3.1Å; V239-R242 PolarHBondContact O-N 2.62Å; R242-L244 VanDerWaalsContact C-N 3.29Å; R242-L244 PolarHBondContact O-N 2.88Å; R242-I245 PolarHBondContact O-N 3.34Å; R242-H246 WeakPolarHBondContact O-CB 3.42Å; R242-H246 PolarHBondContact O-CD2 2.91Å; R242-H246 PolarHBondContact O-N 2.77Å |
| 243 | N | 95.1 | Very high | 93.7 | Very high | 79 Ų | 79 | 42.4 Ų | 42.4 | 42% | 0.422 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.8 | -36.3 | -177.8 | -68.3 | -15.2 | 0 | 0 | 0 | 112.2 | V239 K240 A241 H246 A247 | V239-N243 PolarHBondContact O-N 3.05Å; V239-N243 PolarHBondContact O-ND2 3.38Å; V239-N243 PolarHBondContact O-OD1 3.11Å; K240-N243 PolarHBondContact O-N 3.45Å; A241-N243 VanDerWaalsContact C-N 3.29Å; A241-N243 PolarHBondContact O-N 3.44Å; N243-H246 PolarHBondContact O-N 2.68Å; N243-A247 PolarHBondContact O-N 3.29Å |
| 244 | L | 93.6 | Very high | 93.6 | Very high | 70 Ų | 70 | 48 Ų | 48 | 37% | 0.366 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.8 | -47.9 | 173.7 | 178.8 | 60.3 | 0 | 0 | 0 | 111.4 | Q211 A215 K240 A241 R242 H246 A247 R248 | Q211-L244 HydrophobicContact CG-CD2 4.09Å; A215-L244 HydrophobicContact CB-CD2 3.8Å; A215-L244 HydrophobicContact CB-CG 4.38Å; K240-L244 PolarHBondContact O-N 2.6Å; A241-L244 WeakPolarHBondContact O-CB 3.35Å; A241-L244 PolarHBondContact O-N 2.81Å; R242-L244 VanDerWaalsContact C-N 3.29Å; R242-L244 PolarHBondContact O-N 2.88Å; L244-H246 VanDerWaalsContact C-N 3.34Å; L244-H246 PolarHBondContact O-N 2.65Å; L244-A247 WeakPolarHBondContact O-CB 3.29Å; L244-A247 PolarHBondContact O-N 3.36Å; L244-R248 PolarHBondContact O-N 2.97Å |
| 245 | I | 92.3 | Very high | 93.2 | Very high | 6 Ų | 6 | 47.9 Ų | 47.9 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60 | -45.3 | 176.4 | -62.4 | 161.7 | 0 | 0 | 0 | 110.6 | A215 F216 M219 A241 R242 A247 R248 I249 | A215-I245 HydrophobicContact CB-CD1 4.33Å; A215-I245 HydrophobicContact CB-CG1 3.99Å; F216-I245 HydrophobicContact CB-CD1 4.16Å; F216-I245 HydrophobicContact CD2-CD1 4.2Å; M219-I245 HydrophobicContact CB-CD1 4.14Å; M219-I245 HydrophobicContact CE-CD1 4.01Å; M219-I245 HydrophobicContact SD-CD1 3.76Å; A241-I245 WeakPolarHBondContact O-CG1 3.48Å; A241-I245 PolarHBondContact O-N 2.88Å; A241-I245 VanDerWaalsContact O-N 3.14Å; R242-I245 PolarHBondContact O-N 3.34Å; I245-A247 VanDerWaalsContact C-N 3.32Å; I245-A247 PolarHBondContact O-N 2.6Å; I245-R248 PolarHBondContact O-N 2.9Å; I245-I249 HydrophobicContact CG2-CD1 3.61Å; I245-I249 HydrophobicContact CG2-CG1 4.29Å; I245-I249 WeakPolarHBondContact O-CG1 3.38Å; I245-I249 PolarHBondContact O-N 2.81Å |
| 246 | H | 94 | Very high | 92.9 | Very high | 9 Ų | 9 | 48.2 Ų | 48.2 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.2 | -38.4 | 178.4 | -83 | -159.1 | 0 | 0 | 0 | 112.6 | R242 N243 L244 R248 I249 E250 K293 T297 | R242-H246 WeakPolarHBondContact O-CB 3.42Å; R242-H246 PolarHBondContact O-CD2 2.91Å; R242-H246 PolarHBondContact O-N 2.77Å; N243-H246 PolarHBondContact O-N 2.68Å; L244-H246 VanDerWaalsContact C-N 3.34Å; L244-H246 PolarHBondContact O-N 2.65Å; H246-R248 VanDerWaalsContact C-N 3.33Å; H246-I249 PolarHBondContact O-N 2.05Å; H246-E250 VanDerWaalsContact O-CB 3.28Å; H246-E250 WeakPolarHBondContact O-CB 3.46Å; H246-E250 PolarHBondContact O-N 3.3Å; H246-K293 HydrophobicContact CB-CD 4.08Å; H246-K293 WeakPolarHBondContact O-CD 3.34Å; H246-T297 PolarHBondContact CD2-OG1 3.28Å; H246-T297 VanDerWaalsContact CD2-OG1 3.28Å; H246-T297 PolarHBondContact NE2-OG1 2.96Å |
| 247 | A | 92.4 | Very high | 92.5 | Very high | 47 Ų | 47 | 46.5 Ų | 46.5 | 39% | 0.388 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.1 | -44.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | N243 L244 I245 E250 E251 | N243-A247 PolarHBondContact O-N 3.29Å; L244-A247 WeakPolarHBondContact O-CB 3.29Å; L244-A247 PolarHBondContact O-N 3.36Å; I245-A247 VanDerWaalsContact C-N 3.32Å; I245-A247 PolarHBondContact O-N 2.6Å; A247-E250 WeakPolarHBondContact O-CB 3.23Å; A247-E250 PolarHBondContact O-N 2.84Å; A247-E251 PolarHBondContact O-N 3.36Å; A247-E251 VanDerWaalsContact O-N 3.14Å |
| 248 | R | 88.7 | Confident | 92 | Very high | 43 Ų | 43 | 48.6 Ų | 48.6 | 16% | 0.162 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68 | -43.1 | 178.8 | -168.5 | 60.1 | 167.8 | 156.8 | -11 | 113.2 | A201 A202 S203 L212 L244 I245 H246 E250 E251 N252 | A201-R248 PolarHBondContact O-NH1 3.01Å; A201-R248 PolarHBondContact O-NH2 3.43Å; A202-R248 PolarHBondContact O-NE 3.3Å; A202-R248 PolarHBondContact O-NH2 3.28Å; S203-R248 PolarHBondContact O-NH2 3.49Å; L212-R248 HydrophobicContact CD1-CG 3.93Å; L212-R248 HydrophobicContact CD2-CB 3.81Å; L212-R248 HydrophobicContact CD2-CG 3.97Å; L244-R248 PolarHBondContact O-N 2.97Å; I245-R248 PolarHBondContact O-N 2.9Å; H246-R248 VanDerWaalsContact C-N 3.33Å; R248-E250 PolarHBondContact O-N 3.04Å; R248-E251 IonicContact CZ-OE2 3.82Å; R248-E251 IonicContact NH1-OE2 2.75Å; R248-E251 PolarHBondContact NH1-OE2 3.31Å; R248-E251 PolarHBondContact O-N 3.23Å; R248-N252 PolarHBondContact O-N 3.42Å; R248-N252 VanDerWaalsContact O-N 3.14Å |
| 249 | I | 91.3 | Very high | 91.4 | Very high | 5 Ų | 5 | 56.6 Ų | 56.6 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.5 | -39.5 | 175 | -68.1 | 171.3 | 0 | 0 | 0 | 110.1 | L194 I245 H246 E251 N252 I253 K293 T297 L300 | L194-I249 HydrophobicContact CD1-CD1 4.4Å; L194-I249 HydrophobicContact CD1-CG1 4.01Å; I245-I249 HydrophobicContact CG2-CD1 3.61Å; I245-I249 HydrophobicContact CG2-CG1 4.29Å; I245-I249 WeakPolarHBondContact O-CG1 3.38Å; I245-I249 PolarHBondContact O-N 2.81Å; H246-I249 PolarHBondContact O-N 2.05Å; I249-E251 PolarHBondContact O-N 3.1Å; I249-N252 PolarHBondContact O-N 3.27Å; I249-I253 HydrophobicContact CG2-CD1 3.6Å; I249-I253 HydrophobicContact CG2-CG1 4.11Å; I249-I253 VanDerWaalsContact O-CG1 3.23Å; I249-I253 WeakPolarHBondContact O-CG1 3.38Å; I249-I253 PolarHBondContact O-N 3.33Å; I249-K293 HydrophobicContact CG2-CB 4.47Å; I249-K293 HydrophobicContact CG2-CG 4.06Å; I249-T297 WeakPolarHBondContact CD1-OG1 3.21Å; I249-L300 HydrophobicContact CD1-CD1 4.46Å |
| 250 | E | 93.3 | Very high | 90.5 | Very high | 42 Ų | 42 | 58 Ų | 58 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 177.9 | -172.2 | 156.3 | 159.2 | 0 | 0 | 112.6 | H246 A247 R248 N252 I253 R254 M289 K293 | H246-E250 VanDerWaalsContact O-CB 3.28Å; H246-E250 WeakPolarHBondContact O-CB 3.46Å; H246-E250 PolarHBondContact O-N 3.3Å; A247-E250 WeakPolarHBondContact O-CB 3.23Å; A247-E250 PolarHBondContact O-N 2.84Å; R248-E250 PolarHBondContact O-N 3.04Å; E250-N252 VanDerWaalsContact C-N 3.31Å; E250-N252 PolarHBondContact O-N 3.04Å; E250-I253 PolarHBondContact O-N 3.5Å; E250-R254 WeakPolarHBondContact O-CB 3.01Å; E250-R254 VanDerWaalsContact O-CG 3.28Å; E250-R254 WeakPolarHBondContact O-CG 3.47Å; E250-R254 PolarHBondContact O-N 3.33Å; E250-R254 IonicContact OE1-CZ 3.32Å; E250-R254 IonicContact OE1-NE 3.92Å; E250-R254 PolarHBondContact OE1-NE 3.17Å; E250-R254 IonicContact OE1-NH2 3.53Å; E250-R254 PolarHBondContact OE1-NH2 3.45Å; E250-M289 HydrophobicContact CB-SD 4.42Å; E250-M289 HydrophobicContact CG-CE 4.08Å; E250-M289 HydrophobicContact CG-CG 4.14Å; E250-M289 HydrophobicContact CG-SD 3.77Å; E250-K293 HydrophobicContact CB-CD 3.92Å; E250-K293 HydrophobicContact CG-CD 4.47Å; E250-K293 IonicContact OE2-NZ 2.85Å; E250-K293 PolarHBondContact OE2-NZ 3.44Å |
| 251 | E | 90.1 | Very high | 88.9 | Confident | 101 Ų | 101 | 55.4 Ų | 55.4 | 47% | 0.472 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59 | -44.9 | 176.1 | -70.9 | 171.8 | 178.3 | 0 | 0 | 111.6 | A247 R248 I249 R254 A255 | A247-E251 PolarHBondContact O-N 3.36Å; A247-E251 VanDerWaalsContact O-N 3.14Å; R248-E251 IonicContact CZ-OE2 3.82Å; R248-E251 IonicContact NH1-OE2 2.75Å; R248-E251 PolarHBondContact NH1-OE2 3.31Å; R248-E251 PolarHBondContact O-N 3.23Å; I249-E251 PolarHBondContact O-N 3.1Å; E251-R254 PolarHBondContact O-N 2.87Å; E251-A255 WeakPolarHBondContact O-CB 3.44Å; E251-A255 PolarHBondContact O-N 3.24Å |
| 252 | N | 89.6 | Confident | 87.6 | Confident | 9 Ų | 9 | 60.1 Ų | 60.1 | 5% | 0.048 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.1 | -45.2 | 177.7 | -173.4 | 14.4 | 0 | 0 | 0 | 111.9 | L194 C196 R248 I249 E250 R254 A255 K256 | L194-N252 PolarHBondContact O-ND2 3.47Å; C196-N252 PolarHBondContact SG-ND2 3.4Å; C196-N252 VanDerWaalsContact SG-ND2 3.38Å; R248-N252 PolarHBondContact O-N 3.42Å; R248-N252 VanDerWaalsContact O-N 3.14Å; I249-N252 PolarHBondContact O-N 3.27Å; E250-N252 VanDerWaalsContact C-N 3.31Å; E250-N252 PolarHBondContact O-N 3.04Å; N252-R254 VanDerWaalsContact C-N 3.33Å; N252-R254 PolarHBondContact O-N 3.16Å; N252-A255 WeakPolarHBondContact O-CB 3.18Å; N252-A255 PolarHBondContact O-N 3.25Å; N252-A255 VanDerWaalsContact O-N 3.14Å; N252-K256 WeakPolarHBondContact O-CG 3.21Å; N252-K256 PolarHBondContact O-N 2.85Å; N252-K256 WeakPolarHBondContact OD1-CE 2.99Å |
| 253 | I | 91.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.4 | -49.2 | 173.8 | -68.5 | 163.4 | 0 | 0 | 0 | 110 | I249 E250 A255 K256 I257 L273 I277 M289 L292 K293 | I249-I253 HydrophobicContact CG2-CD1 3.6Å; I249-I253 HydrophobicContact CG2-CG1 4.11Å; I249-I253 VanDerWaalsContact O-CG1 3.23Å; I249-I253 WeakPolarHBondContact O-CG1 3.38Å; I249-I253 PolarHBondContact O-N 3.33Å; E250-I253 PolarHBondContact O-N 3.5Å; I253-A255 VanDerWaalsContact C-N 3.28Å; I253-A255 PolarHBondContact O-N 2.97Å; I253-K256 PolarHBondContact O-N 2.92Å; I253-I257 HydrophobicContact CG2-CD1 3.63Å; I253-I257 HydrophobicContact CG2-CG1 4.15Å; I253-I257 WeakPolarHBondContact O-CB 3.27Å; I253-I257 VanDerWaalsContact O-CG1 3.26Å; I253-I257 WeakPolarHBondContact O-CG1 3.46Å; I253-I257 PolarHBondContact O-N 2.58Å; I253-L273 HydrophobicContact CG1-CD1 4.15Å; I253-L273 HydrophobicContact CG1-CD2 3.9Å; I253-L273 HydrophobicContact CG1-CG 4.46Å; I253-I277 HydrophobicContact CG2-CD1 4.29Å; I253-M289 HydrophobicContact CB-CE 4.23Å; I253-M289 HydrophobicContact CB-SD 4Å; I253-M289 HydrophobicContact CD1-SD 3.74Å; I253-M289 HydrophobicContact CG1-SD 4.49Å; I253-M289 HydrophobicContact CG2-CE 3.68Å; I253-M289 HydrophobicContact CG2-SD 3.74Å; I253-L292 HydrophobicContact CD1-CB 3.58Å; I253-L292 HydrophobicContact CG1-CB 4.43Å; I253-L292 HydrophobicContact CG2-CD1 3.86Å; I253-K293 HydrophobicContact CD1-CG 3.9Å |
| 254 | R | 91.4 | Very high | 84 | Confident | 132 Ų | 132 | 67.1 Ų | 67.1 | 50% | 0.498 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.7 | -38.9 | 179 | -70.8 | 175.4 | -176.9 | -167.1 | 1.4 | 111.6 | E250 E251 N252 R258 M289 | E250-R254 WeakPolarHBondContact O-CB 3.01Å; E250-R254 VanDerWaalsContact O-CG 3.28Å; E250-R254 WeakPolarHBondContact O-CG 3.47Å; E250-R254 PolarHBondContact O-N 3.33Å; E250-R254 IonicContact OE1-CZ 3.32Å; E250-R254 IonicContact OE1-NE 3.92Å; E250-R254 PolarHBondContact OE1-NE 3.17Å; E250-R254 IonicContact OE1-NH2 3.53Å; E250-R254 PolarHBondContact OE1-NH2 3.45Å; E251-R254 PolarHBondContact O-N 2.87Å; N252-R254 VanDerWaalsContact C-N 3.33Å; N252-R254 PolarHBondContact O-N 3.16Å; R254-R258 WeakPolarHBondContact O-CG 3.42Å; R254-R258 PolarHBondContact O-N 2.88Å; R254-R258 VanDerWaalsContact O-N 3.09Å; R254-R258 PolarHBondContact O-NH1 2.92Å; R254-M289 HydrophobicContact CG-CE 3.84Å |
| 255 | A | 87.9 | Confident | 82.2 | Confident | 17 Ų | 17 | 68.4 Ų | 68.4 | 14% | 0.14 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64 | -45.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | E251 N252 I253 R258 R259 | E251-A255 WeakPolarHBondContact O-CB 3.44Å; E251-A255 PolarHBondContact O-N 3.24Å; N252-A255 WeakPolarHBondContact O-CB 3.18Å; N252-A255 PolarHBondContact O-N 3.25Å; N252-A255 VanDerWaalsContact O-N 3.14Å; I253-A255 VanDerWaalsContact C-N 3.28Å; I253-A255 PolarHBondContact O-N 2.97Å; A255-R258 PolarHBondContact O-N 3.03Å; A255-R259 WeakPolarHBondContact O-CG 3.26Å; A255-R259 PolarHBondContact O-N 2.84Å |
| 256 | K | 88.4 | Confident | 79.9 | Confident | 17 Ų | 17 | 78.1 Ų | 78.1 | 7% | 0.074 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 174.9 | -69.4 | -178.8 | -174.9 | -65.5 | 0 | 111.5 | L194 N252 I253 R258 R259 L260 D271 L273 Q274 I277 | L194-K256 WeakPolarHBondContact O-CE 3.5Å; L194-K256 PolarHBondContact O-NZ 2.91Å; N252-K256 WeakPolarHBondContact O-CG 3.21Å; N252-K256 PolarHBondContact O-N 2.85Å; N252-K256 WeakPolarHBondContact OD1-CE 2.99Å; I253-K256 PolarHBondContact O-N 2.92Å; K256-R258 VanDerWaalsContact C-N 3.28Å; K256-R258 PolarHBondContact O-N 3.2Å; K256-R259 WeakPolarHBondContact O-CB 3.33Å; K256-R259 PolarHBondContact O-N 3.23Å; K256-L260 WeakPolarHBondContact O-CG 3.37Å; K256-L260 PolarHBondContact O-N 2.92Å; K256-L260 VanDerWaalsContact O-N 3.13Å; K256-D271 VanDerWaalsContact NZ-CG 3.32Å; K256-D271 IonicContact NZ-OD1 2.78Å; K256-D271 PolarHBondContact NZ-OD1 2.87Å; K256-D271 IonicContact NZ-OD2 3.03Å; K256-D271 PolarHBondContact NZ-OD2 3.34Å; K256-L273 HydrophobicContact CD-CD2 4.12Å; K256-L273 HydrophobicContact CD-CG 4.09Å; K256-Q274 HydrophobicContact CD-CB 4.43Å; K256-I277 HydrophobicContact CB-CD1 4.09Å; K256-I277 HydrophobicContact CD-CD1 4.27Å |
| 257 | I | 87.8 | Confident | 78.1 | Confident | 55 Ų | 55 | 81.4 Ų | 81.4 | 28% | 0.282 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.7 | -39.4 | 178 | -68.3 | 178 | 0 | 0 | 0 | 112.3 | I253 R259 L260 I277 W281 | I253-I257 HydrophobicContact CG2-CD1 3.63Å; I253-I257 HydrophobicContact CG2-CG1 4.15Å; I253-I257 WeakPolarHBondContact O-CB 3.27Å; I253-I257 VanDerWaalsContact O-CG1 3.26Å; I253-I257 WeakPolarHBondContact O-CG1 3.46Å; I253-I257 PolarHBondContact O-N 2.58Å; I257-R259 VanDerWaalsContact C-N 3.25Å; I257-R259 PolarHBondContact O-N 3.48Å; I257-L260 PolarHBondContact O-N 2.99Å; I257-I277 HydrophobicContact CG1-CG2 4.41Å; I257-W281 HydrophobicContact CB-CH2 4.26Å; I257-W281 HydrophobicContact CD1-CH2 4.15Å; I257-W281 HydrophobicContact CD1-CZ2 4.01Å; I257-W281 HydrophobicContact CG1-CH2 3.69Å; I257-W281 HydrophobicContact CG1-CZ2 4.02Å; I257-W281 HydrophobicContact CG2-CH2 3.96Å |
| 258 | R | 86.8 | Confident | 77 | Confident | 176 Ų | 176 | 84.4 Ų | 84.4 | 66% | 0.664 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -67.5 | -24.2 | 176.8 | -74.6 | -171.9 | -60.6 | -92.3 | 2.9 | 113.7 | R254 A255 K256 | R254-R258 WeakPolarHBondContact O-CG 3.42Å; R254-R258 PolarHBondContact O-N 2.88Å; R254-R258 VanDerWaalsContact O-N 3.09Å; R254-R258 PolarHBondContact O-NH1 2.92Å; A255-R258 PolarHBondContact O-N 3.03Å; K256-R258 VanDerWaalsContact C-N 3.28Å; K256-R258 PolarHBondContact O-N 3.2Å |
| 259 | R | 82.7 | Confident | 76.6 | Confident | 167 Ų | 167 | 85.5 Ų | 85.5 | 63% | 0.63 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -86.1 | -22.6 | 178.3 | -66.8 | 175.7 | -176.9 | 177.8 | 0.6 | 112.4 | A255 K256 I257 G261 V262 | A255-R259 WeakPolarHBondContact O-CG 3.26Å; A255-R259 PolarHBondContact O-N 2.84Å; K256-R259 WeakPolarHBondContact O-CB 3.33Å; K256-R259 PolarHBondContact O-N 3.23Å; I257-R259 VanDerWaalsContact C-N 3.25Å; I257-R259 PolarHBondContact O-N 3.48Å; R259-G261 PolarHBondContact O-N 3.43Å; R259-V262 PolarHBondContact O-N 3.47Å; R259-V262 VanDerWaalsContact O-N 3.09Å |
| 260 | L | 77.1 | Confident | 76.4 | Confident | 51 Ų | 51 | 88.1 Ų | 88.1 | 27% | 0.267 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 110.4 | 176.4 | -68.8 | 169.3 | 0 | 0 | 0 | 109.9 | K256 I257 I277 E278 W281 | K256-L260 WeakPolarHBondContact O-CG 3.37Å; K256-L260 PolarHBondContact O-N 2.92Å; K256-L260 VanDerWaalsContact O-N 3.13Å; I257-L260 PolarHBondContact O-N 2.99Å; L260-I277 HydrophobicContact CD1-CG2 3.45Å; L260-I277 VanDerWaalsContact CD1-CG2 3.45Å; L260-E278 HydrophobicContact CD2-CG 3.75Å; L260-W281 HydrophobicContact CB-CZ3 4.25Å; L260-W281 HydrophobicContact CD1-CE3 3.97Å; L260-W281 HydrophobicContact CD1-CH2 3.56Å; L260-W281 HydrophobicContact CD1-CZ3 3.14Å; L260-W281 HydrophobicContact CG-CZ3 4.26Å |
| 261 | G | 63 | Low | 76.3 | Confident | 85 Ų | 85 | 86.9 Ų | 86.9 | 88% | 0.876 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 115.9 | -7.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R259 | R259-G261 PolarHBondContact O-N 3.43Š|
| 262 | V | 68 | Low | 76.3 | Confident | 107 Ų | 107 | 82 Ų | 82 | 65% | 0.648 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -82.9 | 134.4 | 161.9 | -175.8 | 0 | 0 | 0 | 0 | 107.3 | R259 E264 | R259-V262 PolarHBondContact O-N 3.47Å; R259-V262 VanDerWaalsContact O-N 3.09Å; V262-E264 PolarHBondContact O-N 3.47Å |
| 263 | E | 55 | Low | 76.4 | Confident | 196 Ų | 196 | 81.6 Ų | 81.6 | 92% | 0.916 | 44% | 0.435 | S | S | * | . | trans | -57.5 | 105.7 | 173.7 | -77.3 | -174.3 | 163.4 | 0 | 0 | 108.9 | ||||
| 264 | E | 59.5 | Low | 76.4 | Confident | 75 Ų | 75 | 82.8 Ų | 82.8 | 35% | 0.35 | 44% | 0.44 | S | S | . | . | trans | -70.1 | 142.6 | 171.9 | -75.7 | -175.9 | 163.4 | 0 | 0 | 108.8 | V262 Q266 K270 Q274 | V262-E264 PolarHBondContact O-N 3.47Å; E264-Q266 PolarHBondContact O-N 3.47Å; E264-K270 IonicContact OE2-NZ 3.9Å; E264-Q274 PolarHBondContact OE1-NE2 2.82Å; E264-Q274 PolarHBondContact OE2-NE2 2.85Å | ||
| 265 | P | 55.5 | Low | 76.3 | Confident | 96 Ų | 96 | 77.4 Ų | 77.4 | 62% | 0.623 | 42% | 0.421 | S | S | * | . | trans | -51.9 | 129.6 | 170.5 | -19.3 | 28.8 | 0 | 0 | 0 | 109.7 | G267 D268 | P265-G267 PolarHBondContact O-N 2.93Å; P265-D268 PolarHBondContact O-N 2.86Å | ||
| 266 | Q | 44.5 | Very low | 76.4 | Confident | 210 Ų | 210 | 76.6 Ų | 76.6 | 98% | 0.981 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 114.4 | 177.2 | -130.9 | 174.5 | 5.9 | 0 | 0 | 109.2 | E264 | E264-Q266 PolarHBondContact O-N 3.47Š|
| 267 | G | 56.2 | Low | 76.5 | Confident | 78 Ų | 78 | 75.8 Ų | 75.8 | 80% | 0.804 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.3 | 7.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | P265 | P265-G267 PolarHBondContact O-N 2.93Š|
| 268 | D | 68.9 | Low | 76.5 | Confident | 111 Ų | 111 | 74.5 Ų | 74.5 | 59% | 0.594 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -73.6 | 138 | 174.4 | -146.8 | 2.8 | 0 | 0 | 0 | 112.1 | P265 | P265-D268 PolarHBondContact O-N 2.86Š|
| 269 | C | 80.3 | Confident | 76.4 | Confident | 65 Ų | 65 | 67.9 Ų | 67.9 | 44% | 0.439 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 118.8 | -173.2 | -88.5 | 0 | 0 | 0 | 0 | 111.4 | C151 | C151-C269 WeakPolarHBondContact CA-SG 3.5Å; C151-C269 HydrophobicContact CB-CB 3.49Å; C151-C269 VanDerWaalsContact CB-CB 3.49Å; C151-C269 WeakPolarHBondContact CB-SG 3.34Å; C151-C269 WeakPolarHBondContact SG-CA 3.36Å; C151-C269 WeakPolarHBondContact SG-CB 3.39Å; C151-C269 CovalentContact SG-SG 2.05Å; C151-C269 PolarHBondContact SG-SG 3.27Å |
| 270 | K | 87.8 | Confident | 76.4 | Confident | 60 Ų | 60 | 60 Ų | 60 | 26% | 0.261 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -84.8 | 132.3 | -175.5 | -57.2 | -173.8 | -178.9 | -161.6 | 0 | 112.4 | Y152 E264 Q274 L275 E278 | Y152-K270 WeakPolarHBondContact CE1-O 3.49Å; E264-K270 IonicContact OE2-NZ 3.9Å; K270-Q274 HydrophobicContact CB-CB 4.43Å; K270-Q274 HydrophobicContact CB-CG 4.34Å; K270-Q274 HydrophobicContact CD-CG 4.25Å; K270-Q274 HydrophobicContact CG-CG 4.42Å; K270-L275 HydrophobicContact CB-CD2 3.9Å; K270-L275 HydrophobicContact CB-CG 3.91Å; K270-L275 HydrophobicContact CD-CD2 3.95Å; K270-E278 WeakPolarHBondContact CD-OE2 3.39Å; K270-E278 IonicContact NZ-OE1 3.75Å; K270-E278 PolarHBondContact NZ-OE1 3.28Å; K270-E278 IonicContact NZ-OE2 3.86Å; K270-E278 PolarHBondContact NZ-OE2 3.42Å |
| 271 | D | 90.4 | Very high | 76.6 | Confident | 16 Ų | 16 | 61.1 Ų | 61.1 | 9% | 0.086 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 165.4 | 169.8 | 64.4 | 85.9 | 0 | 0 | 0 | 112.4 | I192 K256 L273 Q274 L275 | I192-D271 WeakPolarHBondContact O-CA 3.44Å; I192-D271 WeakPolarHBondContact O-CB 3.37Å; K256-D271 VanDerWaalsContact NZ-CG 3.32Å; K256-D271 IonicContact NZ-OD1 2.78Å; K256-D271 PolarHBondContact NZ-OD1 2.87Å; K256-D271 IonicContact NZ-OD2 3.03Å; K256-D271 PolarHBondContact NZ-OD2 3.34Å; D271-L273 VanDerWaalsContact C-N 3.29Å; D271-L273 PolarHBondContact O-N 3.4Å; D271-L273 WeakPolarHBondContact OD1-CA 3.16Å; D271-L273 VanDerWaalsContact OD1-CB 3.32Å; D271-L273 WeakPolarHBondContact OD1-CB 3.44Å; D271-L273 PolarHBondContact OD1-N 3.47Å; D271-Q274 PolarHBondContact O-N 2.96Å; D271-Q274 PolarHBondContact OD1-N 3.34Å; D271-L275 WeakPolarHBondContact O-CG 3.48Å; D271-L275 PolarHBondContact O-N 3.1Å; D271-L275 VanDerWaalsContact O-N 3.07Å |
| 272 | A | 91.4 | Very high | 77.3 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.7 | -38.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A143 Y152 I192 L193 L275 L276 L299 | A143-A272 HydrophobicContact CB-CB 3.62Å; Y152-A272 PolarHBondContact OH-N 2.97Å; I192-A272 PolarHBondContact O-N 2.99Å; L193-A272 HydrophobicContact CB-CB 4.39Å; L193-A272 HydrophobicContact CD2-CB 4.02Å; A272-L275 PolarHBondContact O-N 3.3Å; A272-L276 WeakPolarHBondContact O-CB 3.49Å; A272-L276 WeakPolarHBondContact O-CG 3.48Å; A272-L276 PolarHBondContact O-N 3.2Å; A272-L299 HydrophobicContact CB-CD1 4.25Å |
| 273 | L | 91.5 | Very high | 77.3 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.5 | -40.2 | -179.4 | 176.1 | 58.2 | 0 | 0 | 0 | 111.2 | L193 L194 I253 K256 D271 L276 I277 L292 S296 | L193-L273 VanDerWaalsContact O-CB 3.28Å; L193-L273 WeakPolarHBondContact O-CB 3.36Å; L193-L273 PolarHBondContact O-N 2.92Å; L194-L273 HydrophobicContact CD2-CD2 4.2Å; I253-L273 HydrophobicContact CG1-CD1 4.15Å; I253-L273 HydrophobicContact CG1-CD2 3.9Å; I253-L273 HydrophobicContact CG1-CG 4.46Å; K256-L273 HydrophobicContact CD-CD2 4.12Å; K256-L273 HydrophobicContact CD-CG 4.09Å; D271-L273 VanDerWaalsContact C-N 3.29Å; D271-L273 PolarHBondContact O-N 3.4Å; D271-L273 WeakPolarHBondContact OD1-CA 3.16Å; D271-L273 VanDerWaalsContact OD1-CB 3.32Å; D271-L273 WeakPolarHBondContact OD1-CB 3.44Å; D271-L273 PolarHBondContact OD1-N 3.47Å; L273-L276 WeakPolarHBondContact O-CB 3.49Å; L273-L276 PolarHBondContact O-N 3.37Å; L273-I277 HydrophobicContact CD1-CD1 4.14Å; L273-I277 HydrophobicContact CD1-CG1 4.28Å; L273-I277 HydrophobicContact CG-CD1 4.09Å; L273-I277 VanDerWaalsContact O-CG1 3.26Å; L273-I277 WeakPolarHBondContact O-CG1 3.14Å; L273-I277 PolarHBondContact O-N 3.38Å; L273-L292 HydrophobicContact CD1-CD2 4.48Å; L273-S296 WeakPolarHBondContact CD1-OG 3.48Å |
| 274 | Q | 90.5 | Very high | 78 | Confident | 24 Ų | 24 | 57.5 Ų | 57.5 | 11% | 0.112 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 172.9 | -177.6 | 166.3 | -2 | 0 | 0 | 111.5 | K256 E264 K270 D271 L276 I277 E278 | K256-Q274 HydrophobicContact CD-CB 4.43Å; E264-Q274 PolarHBondContact OE1-NE2 2.82Å; E264-Q274 PolarHBondContact OE2-NE2 2.85Å; K270-Q274 HydrophobicContact CB-CB 4.43Å; K270-Q274 HydrophobicContact CB-CG 4.34Å; K270-Q274 HydrophobicContact CD-CG 4.25Å; K270-Q274 HydrophobicContact CG-CG 4.42Å; D271-Q274 PolarHBondContact O-N 2.96Å; D271-Q274 PolarHBondContact OD1-N 3.34Å; Q274-L276 VanDerWaalsContact C-N 3.29Å; Q274-L276 PolarHBondContact O-N 3.22Å; Q274-I277 PolarHBondContact O-N 2.73Å; Q274-I277 VanDerWaalsContact O-N 3.15Å; Q274-E278 HydrophobicContact CG-CG 4.47Å; Q274-E278 WeakPolarHBondContact CG-OE1 3.05Å; Q274-E278 PolarHBondContact NE2-OE1 3Å; Q274-E278 WeakPolarHBondContact O-CG 3.43Å; Q274-E278 PolarHBondContact O-N 3.48Å |
| 275 | L | 89.9 | Confident | 78.5 | Confident | 19 Ų | 19 | 56 Ų | 56 | 10% | 0.099 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.9 | -38.9 | 176.6 | -67.9 | 172.8 | 0 | 0 | 0 | 112.3 | A143 A148 K270 D271 A272 H279 | A143-L275 HydrophobicContact CB-CB 4.4Å; A143-L275 HydrophobicContact CB-CD1 4.46Å; A148-L275 HydrophobicContact CB-CD1 3.69Å; K270-L275 HydrophobicContact CB-CD2 3.9Å; K270-L275 HydrophobicContact CB-CG 3.91Å; K270-L275 HydrophobicContact CD-CD2 3.95Å; D271-L275 WeakPolarHBondContact O-CG 3.48Å; D271-L275 PolarHBondContact O-N 3.1Å; D271-L275 VanDerWaalsContact O-N 3.07Å; A272-L275 PolarHBondContact O-N 3.3Å; L275-H279 WeakPolarHBondContact O-CB 3.41Å; L275-H279 PolarHBondContact O-CD2 2.9Å; L275-H279 PolarHBondContact O-N 3.29Å |
| 276 | L | 89.3 | Confident | 79.7 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.1 | -44 | 175 | -78.9 | 175.6 | 0 | 0 | 0 | 112.5 | V139 I140 A272 L273 Q274 S280 L299 | V139-L276 HydrophobicContact CG1-CD2 3.87Å; I140-L276 HydrophobicContact CB-CD2 4.26Å; I140-L276 HydrophobicContact CG1-CD2 3.76Å; A272-L276 WeakPolarHBondContact O-CB 3.49Å; A272-L276 WeakPolarHBondContact O-CG 3.48Å; A272-L276 PolarHBondContact O-N 3.2Å; L273-L276 WeakPolarHBondContact O-CB 3.49Å; L273-L276 PolarHBondContact O-N 3.37Å; Q274-L276 VanDerWaalsContact C-N 3.29Å; Q274-L276 PolarHBondContact O-N 3.22Å; L276-S280 VanDerWaalsContact O-CB 3.25Å; L276-S280 WeakPolarHBondContact O-CB 3.43Å; L276-S280 PolarHBondContact O-N 3.45Å; L276-S280 VanDerWaalsContact O-N 3.16Å; L276-S280 PolarHBondContact O-OG 3.24Å; L276-L299 HydrophobicContact CD1-CD1 3.72Å |
| 277 | I | 89.9 | Confident | 81.7 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.3 | -53.6 | 179.9 | -67.1 | 163.4 | 0 | 0 | 0 | 109.4 | I253 K256 I257 L260 L273 Q274 S280 W281 L292 | I253-I277 HydrophobicContact CG2-CD1 4.29Å; K256-I277 HydrophobicContact CB-CD1 4.09Å; K256-I277 HydrophobicContact CD-CD1 4.27Å; I257-I277 HydrophobicContact CG1-CG2 4.41Å; L260-I277 HydrophobicContact CD1-CG2 3.45Å; L260-I277 VanDerWaalsContact CD1-CG2 3.45Å; L273-I277 HydrophobicContact CD1-CD1 4.14Å; L273-I277 HydrophobicContact CD1-CG1 4.28Å; L273-I277 HydrophobicContact CG-CD1 4.09Å; L273-I277 VanDerWaalsContact O-CG1 3.26Å; L273-I277 WeakPolarHBondContact O-CG1 3.14Å; L273-I277 PolarHBondContact O-N 3.38Å; Q274-I277 PolarHBondContact O-N 2.73Å; Q274-I277 VanDerWaalsContact O-N 3.15Å; I277-S280 PolarHBondContact O-N 3.31Å; I277-S280 PolarHBondContact O-OG 2.76Å; I277-W281 HydrophobicContact CG2-CD2 4.08Å; I277-W281 HydrophobicContact CG2-CE3 4.07Å; I277-W281 HydrophobicContact CG2-CH2 3.63Å; I277-W281 HydrophobicContact CG2-CZ2 3.57Å; I277-W281 HydrophobicContact CG2-CZ3 3.89Å; I277-W281 PolarHBondContact O-N 3.48Å; I277-L292 HydrophobicContact CG1-CD1 4.07Å; I277-L292 HydrophobicContact CG1-CD2 3.85Å |
| 278 | E | 88.3 | Confident | 83.4 | Confident | 28 Ų | 28 | 52 Ų | 52 | 13% | 0.131 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.1 | -53.5 | -177 | -69.7 | 176.4 | -176.1 | 0 | 0 | 111.9 | L260 K270 Q274 S280 W281 E282 | L260-E278 HydrophobicContact CD2-CG 3.75Å; K270-E278 WeakPolarHBondContact CD-OE2 3.39Å; K270-E278 IonicContact NZ-OE1 3.75Å; K270-E278 PolarHBondContact NZ-OE1 3.28Å; K270-E278 IonicContact NZ-OE2 3.86Å; K270-E278 PolarHBondContact NZ-OE2 3.42Å; Q274-E278 HydrophobicContact CG-CG 4.47Å; Q274-E278 WeakPolarHBondContact CG-OE1 3.05Å; Q274-E278 PolarHBondContact NE2-OE1 3Å; Q274-E278 WeakPolarHBondContact O-CG 3.43Å; Q274-E278 PolarHBondContact O-N 3.48Å; E278-S280 VanDerWaalsContact C-N 3.28Å; E278-S280 PolarHBondContact O-N 2.86Å; E278-W281 PolarHBondContact O-N 3.16Å; E278-E282 WeakPolarHBondContact O-CG 3.4Å; E278-E282 PolarHBondContact O-N 3.35Å |
| 279 | H | 84.4 | Confident | 84.5 | Confident | 37 Ų | 37 | 49.2 Ų | 49.2 | 17% | 0.171 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.2 | -27.5 | -178.1 | -72 | -46 | 0 | 0 | 0 | 114 | Q142 L275 W281 E282 R283 | Q142-H279 WeakPolarHBondContact CB-CD2 3.26Å; L275-H279 WeakPolarHBondContact O-CB 3.41Å; L275-H279 PolarHBondContact O-CD2 2.9Å; L275-H279 PolarHBondContact O-N 3.29Å; H279-W281 VanDerWaalsContact C-N 3.27Å; H279-E282 IonicContact CE1-OE2 2.83Å; H279-E282 IonicContact ND1-OE2 3.06Å; H279-E282 PolarHBondContact ND1-OE2 3.33Å; H279-R283 WeakPolarHBondContact O-CG 3.38Å |
| 280 | S | 82.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.6 | -35.2 | 173.6 | 77.7 | 0 | 0 | 0 | 0 | 111.7 | L276 I277 E278 E285 R286 | L276-S280 VanDerWaalsContact O-CB 3.25Å; L276-S280 WeakPolarHBondContact O-CB 3.43Å; L276-S280 PolarHBondContact O-N 3.45Å; L276-S280 VanDerWaalsContact O-N 3.16Å; L276-S280 PolarHBondContact O-OG 3.24Å; I277-S280 PolarHBondContact O-N 3.31Å; I277-S280 PolarHBondContact O-OG 2.76Å; E278-S280 VanDerWaalsContact C-N 3.28Å; E278-S280 PolarHBondContact O-N 2.86Å; S280-E285 CarbonylContact O-C 3.04Å; S280-E285 WeakPolarHBondContact O-CA 3.38Å; S280-E285 PolarHBondContact O-N 3.14Å; S280-R286 PolarHBondContact O-N 3.02Å |
| 281 | W | 80.8 | Confident | 85.3 | Confident | 76 Ų | 76 | 47.2 Ų | 47.2 | 29% | 0.288 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -82.2 | -41.4 | -176.6 | -65.4 | -9.1 | 0 | 0 | 0 | 112.6 | I257 L260 I277 E278 H279 R283 G284 R286 | I257-W281 HydrophobicContact CB-CH2 4.26Å; I257-W281 HydrophobicContact CD1-CH2 4.15Å; I257-W281 HydrophobicContact CD1-CZ2 4.01Å; I257-W281 HydrophobicContact CG1-CH2 3.69Å; I257-W281 HydrophobicContact CG1-CZ2 4.02Å; I257-W281 HydrophobicContact CG2-CH2 3.96Å; L260-W281 HydrophobicContact CB-CZ3 4.25Å; L260-W281 HydrophobicContact CD1-CE3 3.97Å; L260-W281 HydrophobicContact CD1-CH2 3.56Å; L260-W281 HydrophobicContact CD1-CZ3 3.14Å; L260-W281 HydrophobicContact CG-CZ3 4.26Å; I277-W281 HydrophobicContact CG2-CD2 4.08Å; I277-W281 HydrophobicContact CG2-CE3 4.07Å; I277-W281 HydrophobicContact CG2-CH2 3.63Å; I277-W281 HydrophobicContact CG2-CZ2 3.57Å; I277-W281 HydrophobicContact CG2-CZ3 3.89Å; I277-W281 PolarHBondContact O-N 3.48Å; E278-W281 PolarHBondContact O-N 3.16Å; H279-W281 VanDerWaalsContact C-N 3.27Å; W281-R283 PolarHBondContact O-N 2.86Å; W281-G284 PolarHBondContact O-N 3.21Å; W281-G284 VanDerWaalsContact O-N 3.15Å; W281-R286 VanDerWaalsContact CD1-CG 3.49Å |
| 282 | E | 77.9 | Confident | 85.4 | Confident | 140 Ų | 140 | 46.6 Ų | 46.6 | 65% | 0.654 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -56.6 | -34.2 | 176.9 | -71.2 | 174 | 162.5 | 0 | 0 | 112.8 | E278 H279 | E278-E282 WeakPolarHBondContact O-CG 3.4Å; E278-E282 PolarHBondContact O-N 3.35Å; H279-E282 IonicContact CE1-OE2 2.83Å; H279-E282 IonicContact ND1-OE2 3.06Å; H279-E282 PolarHBondContact ND1-OE2 3.33Å |
| 283 | R | 69.5 | Low | 85.5 | Confident | 101 Ų | 101 | 47.8 Ų | 47.8 | 38% | 0.381 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 4 | -174.6 | -60.1 | -175.1 | 69.7 | -118.4 | -19.6 | 113.4 | H279 W281 E285 | H279-R283 WeakPolarHBondContact O-CG 3.38Å; W281-R283 PolarHBondContact O-N 2.86Å; R283-E285 HydrophobicContact CB-CG 4.19Å; R283-E285 IonicContact CZ-OE2 3.8Å; R283-E285 IonicContact NH1-OE1 3.11Å; R283-E285 IonicContact NH1-OE2 3.55Å; R283-E285 PolarHBondContact NH1-OE2 3.34Å; R283-E285 IonicContact NH2-OE1 2.81Å; R283-E285 IonicContact NH2-OE2 3.53Å; R283-E285 PolarHBondContact O-N 3.26Å |
| 284 | G | 67.8 | Low | 85.5 | Confident | 70 Ų | 70 | 48.7 Ų | 48.7 | 72% | 0.722 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | 11.1 | -173 | 0 | 0 | 0 | 0 | 0 | 113.7 | W281 R286 | W281-G284 PolarHBondContact O-N 3.21Å; W281-G284 VanDerWaalsContact O-N 3.15Å; G284-R286 VanDerWaalsContact C-N 3.32Å; G284-R286 PolarHBondContact O-N 2.82Å |
| 285 | E | 70.6 | Confident | 85.6 | Confident | 43 Ų | 43 | 47.5 Ų | 47.5 | 20% | 0.201 | 23% | 0.231 | C | C | . | . | trans | -98.8 | 44.9 | -179 | -59 | -177.2 | 152 | 0 | 0 | 110.2 | Q135 S280 R283 L287 | Q135-E285 WeakPolarHBondContact CG-OE1 3.43Å; Q135-E285 VanDerWaalsContact NE2-CG 3.32Å; Q135-E285 PolarHBondContact NE2-OE1 2.92Å; S280-E285 CarbonylContact O-C 3.04Å; S280-E285 WeakPolarHBondContact O-CA 3.38Å; S280-E285 PolarHBondContact O-N 3.14Å; R283-E285 HydrophobicContact CB-CG 4.19Å; R283-E285 IonicContact CZ-OE2 3.8Å; R283-E285 IonicContact NH1-OE1 3.11Å; R283-E285 IonicContact NH1-OE2 3.55Å; R283-E285 PolarHBondContact NH1-OE2 3.34Å; R283-E285 IonicContact NH2-OE1 2.81Å; R283-E285 IonicContact NH2-OE2 3.53Å; R283-E285 PolarHBondContact O-N 3.26Å; E285-L287 PolarHBondContact O-N 3.38Å | ||
| 286 | R | 80.9 | Confident | 85.7 | Confident | 182 Ų | 182 | 46.7 Ų | 46.7 | 69% | 0.687 | 23% | 0.227 | S | C | * | . | trans | -55.4 | 110 | -169.5 | 174.8 | 158.5 | -168.4 | -169.3 | 6.8 | 111 | S280 W281 G284 D288 | S280-R286 PolarHBondContact O-N 3.02Å; W281-R286 VanDerWaalsContact CD1-CG 3.49Å; G284-R286 VanDerWaalsContact C-N 3.32Å; G284-R286 PolarHBondContact O-N 2.82Å; R286-D288 PolarHBondContact O-N 3.17Å | ||
| 287 | L | 86.7 | Confident | 85.8 | Confident | 20 Ų | 20 | 46.7 Ų | 46.7 | 11% | 0.105 | 23% | 0.227 | C | C | . | . | trans | -69.7 | 128.5 | 173.5 | -63.3 | -176.3 | 0 | 0 | 0 | 108.6 | V139 E285 A291 L292 | V139-L287 HydrophobicContact CG1-CD1 4.46Å; E285-L287 PolarHBondContact O-N 3.38Å; L287-A291 HydrophobicContact CB-CB 4.16Å; L287-A291 HydrophobicContact CD2-CB 4.32Å; L287-L292 HydrophobicContact CB-CD2 3.91Å; L287-L292 HydrophobicContact CB-CG 3.89Å; L287-L292 HydrophobicContact CD1-CD2 3.98Å | ||
| 288 | D | 90.9 | Very high | 85.8 | Confident | 100 Ų | 100 | 47.8 Ų | 47.8 | 54% | 0.535 | 23% | 0.232 | S | C | . | . | trans | -71.6 | 171.5 | 171.4 | 68.6 | 40.4 | 0 | 0 | 0 | 111.4 | R286 Q290 A291 L292 | R286-D288 PolarHBondContact O-N 3.17Å; D288-Q290 VanDerWaalsContact C-N 3.27Å; D288-Q290 PolarHBondContact O-N 3.36Å; D288-Q290 WeakPolarHBondContact OD1-CA 3.23Å; D288-Q290 WeakPolarHBondContact OD1-CB 3.1Å; D288-Q290 PolarHBondContact OD1-N 2.95Å; D288-A291 WeakPolarHBondContact O-CB 3.34Å; D288-A291 PolarHBondContact O-N 2.72Å; D288-A291 VanDerWaalsContact OD1-CB 3.27Å; D288-A291 WeakPolarHBondContact OD1-CB 3.22Å; D288-A291 PolarHBondContact OD1-N 2.96Å; D288-L292 WeakPolarHBondContact O-CG 3.24Å; D288-L292 PolarHBondContact O-N 3.49Å | ||
| 289 | M | 92.3 | Very high | 85.9 | Confident | 51 Ų | 51 | 47.1 Ų | 47.1 | 25% | 0.251 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57.8 | -39.9 | -178.6 | -177.8 | 58.2 | 75.4 | 0 | 0 | 112.4 | E250 I253 R254 L292 K293 | E250-M289 HydrophobicContact CB-SD 4.42Å; E250-M289 HydrophobicContact CG-CE 4.08Å; E250-M289 HydrophobicContact CG-CG 4.14Å; E250-M289 HydrophobicContact CG-SD 3.77Å; I253-M289 HydrophobicContact CB-CE 4.23Å; I253-M289 HydrophobicContact CB-SD 4Å; I253-M289 HydrophobicContact CD1-SD 3.74Å; I253-M289 HydrophobicContact CG1-SD 4.49Å; I253-M289 HydrophobicContact CG2-CE 3.68Å; I253-M289 HydrophobicContact CG2-SD 3.74Å; R254-M289 HydrophobicContact CG-CE 3.84Å; M289-L292 PolarHBondContact O-N 3.44Å; M289-K293 HydrophobicContact CG-CD 4.35Å; M289-K293 VanDerWaalsContact O-CG 3.32Å; M289-K293 WeakPolarHBondContact O-CG 3.39Å; M289-K293 PolarHBondContact O-N 3.06Å; M289-K293 HydrophobicContact SD-CG 4.41Å |
| 290 | Q | 93.1 | Very high | 86.2 | Confident | 76 Ų | 76 | 45.5 Ų | 45.5 | 36% | 0.355 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -69.6 | -44.2 | -178.1 | -176.3 | 60.4 | 21.7 | 0 | 0 | 110.9 | D288 L292 K293 E294 | D288-Q290 VanDerWaalsContact C-N 3.27Å; D288-Q290 PolarHBondContact O-N 3.36Å; D288-Q290 WeakPolarHBondContact OD1-CA 3.23Å; D288-Q290 WeakPolarHBondContact OD1-CB 3.1Å; D288-Q290 PolarHBondContact OD1-N 2.95Å; Q290-L292 VanDerWaalsContact C-N 3.29Å; Q290-L292 PolarHBondContact O-N 3.24Å; Q290-K293 PolarHBondContact O-N 3.27Å; Q290-E294 PolarHBondContact NE2-OE1 2.83Å; Q290-E294 WeakPolarHBondContact O-CB 3.5Å; Q290-E294 WeakPolarHBondContact O-CG 3.28Å; Q290-E294 PolarHBondContact O-N 3.3Å |
| 291 | A | 91.6 | Very high | 86.5 | Confident | 8 Ų | 8 | 47.5 Ų | 47.5 | 7% | 0.066 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.4 | -38.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R136 L287 D288 S295 | R136-A291 PolarHBondContact NH1-O 3.45Å; R136-A291 VanDerWaalsContact NH2-CB 3.31Å; L287-A291 HydrophobicContact CB-CB 4.16Å; L287-A291 HydrophobicContact CD2-CB 4.32Å; D288-A291 WeakPolarHBondContact O-CB 3.34Å; D288-A291 PolarHBondContact O-N 2.72Å; D288-A291 VanDerWaalsContact OD1-CB 3.27Å; D288-A291 WeakPolarHBondContact OD1-CB 3.22Å; D288-A291 PolarHBondContact OD1-N 2.96Å; A291-S295 WeakPolarHBondContact O-CB 3.45Å; A291-S295 PolarHBondContact O-N 2.93Å; A291-S295 VanDerWaalsContact O-N 3.07Å; A291-S295 PolarHBondContact O-OG 3.3Å |
| 292 | L | 92.5 | Very high | 86.9 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.1 | -49.2 | 174.4 | -71.7 | 168.9 | 0 | 0 | 0 | 111 | I253 L273 I277 L287 D288 M289 Q290 E294 S295 S296 | I253-L292 HydrophobicContact CD1-CB 3.58Å; I253-L292 HydrophobicContact CG1-CB 4.43Å; I253-L292 HydrophobicContact CG2-CD1 3.86Å; L273-L292 HydrophobicContact CD1-CD2 4.48Å; I277-L292 HydrophobicContact CG1-CD1 4.07Å; I277-L292 HydrophobicContact CG1-CD2 3.85Å; L287-L292 HydrophobicContact CB-CD2 3.91Å; L287-L292 HydrophobicContact CB-CG 3.89Å; L287-L292 HydrophobicContact CD1-CD2 3.98Å; D288-L292 WeakPolarHBondContact O-CG 3.24Å; D288-L292 PolarHBondContact O-N 3.49Å; M289-L292 PolarHBondContact O-N 3.44Å; Q290-L292 VanDerWaalsContact C-N 3.29Å; Q290-L292 PolarHBondContact O-N 3.24Å; L292-E294 VanDerWaalsContact C-N 3.31Å; L292-E294 PolarHBondContact O-N 3.37Å; L292-S295 PolarHBondContact O-N 3.15Å; L292-S295 VanDerWaalsContact O-N 3.15Å; L292-S296 WeakPolarHBondContact O-CB 3.3Å; L292-S296 PolarHBondContact O-N 2.78Å; L292-S296 PolarHBondContact O-OG 2.83Å |
| 293 | K | 93.6 | Very high | 87.4 | Confident | 24 Ų | 24 | 39.4 Ų | 39.4 | 10% | 0.104 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.5 | -43.6 | 177.3 | -70.9 | -177.3 | -53.6 | -172.6 | 0 | 112.9 | H246 I249 E250 I253 M289 Q290 S296 T297 | H246-K293 HydrophobicContact CB-CD 4.08Å; H246-K293 WeakPolarHBondContact O-CD 3.34Å; I249-K293 HydrophobicContact CG2-CB 4.47Å; I249-K293 HydrophobicContact CG2-CG 4.06Å; E250-K293 HydrophobicContact CB-CD 3.92Å; E250-K293 HydrophobicContact CG-CD 4.47Å; E250-K293 IonicContact OE2-NZ 2.85Å; E250-K293 PolarHBondContact OE2-NZ 3.44Å; I253-K293 HydrophobicContact CD1-CG 3.9Å; M289-K293 HydrophobicContact CG-CD 4.35Å; M289-K293 VanDerWaalsContact O-CG 3.32Å; M289-K293 WeakPolarHBondContact O-CG 3.39Å; M289-K293 PolarHBondContact O-N 3.06Å; M289-K293 HydrophobicContact SD-CG 4.41Å; Q290-K293 PolarHBondContact O-N 3.27Å; K293-S296 PolarHBondContact O-N 2.84Å; K293-T297 WeakPolarHBondContact O-CB 3.47Å; K293-T297 PolarHBondContact O-N 3.15Å; K293-T297 PolarHBondContact O-OG1 3.09Å |
| 294 | E | 93 | Very high | 88.5 | Confident | 19 Ų | 19 | 34.8 Ų | 34.8 | 9% | 0.089 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.3 | -38.2 | 178.1 | -73.4 | 179.5 | 176.4 | 0 | 0 | 112.3 | G123 C124 Q290 L292 E298 | G123-E294 VanDerWaalsContact C-OE2 3.28Å; G123-E294 WeakPolarHBondContact CA-OE2 3.49Å; G123-E294 PolarHBondContact N-OE2 3.44Å; C124-E294 PolarHBondContact SG-O 3.48Å; Q290-E294 PolarHBondContact NE2-OE1 2.83Å; Q290-E294 WeakPolarHBondContact O-CB 3.5Å; Q290-E294 WeakPolarHBondContact O-CG 3.28Å; Q290-E294 PolarHBondContact O-N 3.3Å; L292-E294 VanDerWaalsContact C-N 3.31Å; L292-E294 PolarHBondContact O-N 3.37Å; E294-E298 VanDerWaalsContact O-CB 3.31Å; E294-E298 WeakPolarHBondContact O-CB 3.32Å; E294-E298 PolarHBondContact O-N 3.44Å |
| 295 | S | 92.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67 | -44 | 175.1 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | R136 A291 L292 E298 L299 | R136-S295 PolarHBondContact NH1-OG 3Å; A291-S295 WeakPolarHBondContact O-CB 3.45Å; A291-S295 PolarHBondContact O-N 2.93Å; A291-S295 VanDerWaalsContact O-N 3.07Å; A291-S295 PolarHBondContact O-OG 3.3Å; L292-S295 PolarHBondContact O-N 3.15Å; L292-S295 VanDerWaalsContact O-N 3.15Å; S295-E298 PolarHBondContact O-N 3.42Å; S295-L299 WeakPolarHBondContact O-CB 3.48Å; S295-L299 WeakPolarHBondContact O-CG 3.25Å; S295-L299 PolarHBondContact O-N 3.32Å |
| 296 | S | 91.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.007 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.9 | -47.7 | 176.3 | -65.3 | 0 | 0 | 0 | 0 | 112.2 | L273 L292 K293 E298 L299 L300 | L273-S296 WeakPolarHBondContact CD1-OG 3.48Å; L292-S296 WeakPolarHBondContact O-CB 3.3Å; L292-S296 PolarHBondContact O-N 2.78Å; L292-S296 PolarHBondContact O-OG 2.83Å; K293-S296 PolarHBondContact O-N 2.84Å; S296-E298 VanDerWaalsContact C-N 3.31Å; S296-E298 PolarHBondContact O-N 2.78Å; S296-L299 PolarHBondContact O-N 3.05Å; S296-L300 PolarHBondContact O-N 3.19Å |
| 297 | T | 91.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.8 | -39.4 | 178.3 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | M219 H246 I249 K293 F301 | M219-T297 HydrophobicContact CE-CG2 3.87Å; M219-T297 HydrophobicContact SD-CG2 3.86Å; H246-T297 PolarHBondContact CD2-OG1 3.28Å; H246-T297 VanDerWaalsContact CD2-OG1 3.28Å; H246-T297 PolarHBondContact NE2-OG1 2.96Å; I249-T297 WeakPolarHBondContact CD1-OG1 3.21Å; K293-T297 WeakPolarHBondContact O-CB 3.47Å; K293-T297 PolarHBondContact O-N 3.15Å; K293-T297 PolarHBondContact O-OG1 3.09Å; T297-F301 WeakPolarHBondContact O-CB 3.46Å; T297-F301 PolarHBondContact O-N 3.16Å |
| 298 | E | 89.8 | Confident | 92 | Very high | 24 Ų | 24 | 22.8 Ų | 22.8 | 11% | 0.112 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.9 | -39.7 | 175.7 | 178.2 | 171.7 | -133.5 | 0 | 0 | 113.1 | C124 L125 S126 E294 S295 S296 F301 G302 | C124-E298 HydrophobicContact CB-CB 4.37Å; L125-E298 WeakPolarHBondContact CA-OE2 3.42Å; L125-E298 WeakPolarHBondContact CB-OE2 3.27Å; L125-E298 PolarHBondContact N-OE1 3.36Å; L125-E298 PolarHBondContact N-OE2 3.42Å; S126-E298 WeakPolarHBondContact CA-OE1 3.38Å; S126-E298 WeakPolarHBondContact CB-OE1 3.28Å; S126-E298 PolarHBondContact N-OE1 3.19Å; S126-E298 PolarHBondContact OG-OE1 3.49Å; E294-E298 VanDerWaalsContact O-CB 3.31Å; E294-E298 WeakPolarHBondContact O-CB 3.32Å; E294-E298 PolarHBondContact O-N 3.44Å; S295-E298 PolarHBondContact O-N 3.42Å; S296-E298 VanDerWaalsContact C-N 3.31Å; S296-E298 PolarHBondContact O-N 2.78Å; E298-F301 PolarHBondContact O-N 3.17Å; E298-G302 PolarHBondContact O-N 3.31Å |
| 299 | L | 91 | Very high | 92.3 | Very high | 14 Ų | 14 | 18 Ų | 18 | 7% | 0.073 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.2 | -46.4 | 175 | -76.1 | -173.3 | 0 | 0 | 0 | 111.1 | I140 F144 L193 A272 L276 S295 S296 F301 G302 G303 | I140-L299 HydrophobicContact CG2-CD2 3.89Å; F144-L299 HydrophobicContact CE2-CD2 3.79Å; F144-L299 HydrophobicContact CZ-CD2 3.75Å; L193-L299 HydrophobicContact CB-CB 4.42Å; L193-L299 HydrophobicContact CD1-CB 4.06Å; L193-L299 VanDerWaalsContact CD1-O 3.31Å; L193-L299 WeakPolarHBondContact CD1-O 3.31Å; A272-L299 HydrophobicContact CB-CD1 4.25Å; L276-L299 HydrophobicContact CD1-CD1 3.72Å; S295-L299 WeakPolarHBondContact O-CB 3.48Å; S295-L299 WeakPolarHBondContact O-CG 3.25Å; S295-L299 PolarHBondContact O-N 3.32Å; S296-L299 PolarHBondContact O-N 3.05Å; L299-F301 PolarHBondContact O-N 2.87Å; L299-G302 PolarHBondContact O-N 3.29Å; L299-G303 PolarHBondContact O-N 2.84Å |
| 300 | L | 89.9 | Confident | 92.6 | Very high | 3 Ų | 3 | 15.7 Ų | 15.7 | 2% | 0.016 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -57.1 | -49 | 172.4 | -75.5 | -178.6 | 0 | 0 | 0 | 111.5 | A189 M190 L194 F216 I249 S296 G302 G303 H304 | A189-L300 HydrophobicContact CB-CD2 3.78Å; M190-L300 HydrophobicContact SD-CD1 4.21Å; M190-L300 HydrophobicContact SD-CD2 4.03Å; L194-L300 HydrophobicContact CD1-CD1 3.65Å; L194-L300 HydrophobicContact CD1-CD2 4.07Å; L194-L300 HydrophobicContact CD1-CG 4.01Å; L194-L300 HydrophobicContact CG-CD1 4.46Å; L194-L300 HydrophobicContact CG-CD2 4.17Å; L194-L300 HydrophobicContact CG-CG 4.29Å; F216-L300 HydrophobicContact CE2-CB 3.73Å; F216-L300 HydrophobicContact CZ-CB 4.22Å; I249-L300 HydrophobicContact CD1-CD1 4.46Å; S296-L300 PolarHBondContact O-N 3.19Å; L300-G302 PolarHBondContact O-N 2.97Å; L300-G303 PolarHBondContact O-N 2.87Å; L300-H304 VanDerWaalsContact O-CB 3.29Å; L300-H304 WeakPolarHBondContact O-CB 3.24Å; L300-H304 PolarHBondContact O-N 3.38Å; L300-H304 VanDerWaalsContact O-N 3.09Å |
| 301 | F | 88.8 | Confident | 92.9 | Very high | 42 Ų | 42 | 12.1 Ų | 12.1 | 18% | 0.184 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -57.3 | -49.2 | 178 | 176.2 | -113.7 | 0 | 0 | 0 | 112.7 | L120 T220 L223 T297 E298 L299 | L120-F301 HydrophobicContact CD1-CD1 4.19Å; L120-F301 HydrophobicContact CD1-CE1 4.33Å; L120-F301 HydrophobicContact CD2-CB 4.38Å; L120-F301 HydrophobicContact CD2-CD1 4.38Å; L120-F301 HydrophobicContact CD2-CG 4.26Å; T220-F301 HydrophobicContact CG2-CD2 3.89Å; T220-F301 HydrophobicContact CG2-CE2 4.19Å; L223-F301 HydrophobicContact CD1-CD2 3.85Å; L223-F301 HydrophobicContact CD1-CE1 4.43Å; L223-F301 HydrophobicContact CD1-CE2 3.23Å; L223-F301 HydrophobicContact CD1-CZ 3.57Å; T297-F301 WeakPolarHBondContact O-CB 3.46Å; T297-F301 PolarHBondContact O-N 3.16Å; E298-F301 PolarHBondContact O-N 3.17Å; L299-F301 PolarHBondContact O-N 2.87Å |
| 302 | G | 89.4 | Confident | 93.2 | Very high | 35 Ų | 35 | 11.8 Ų | 11.8 | 36% | 0.361 | 7% | 0.071 | S | C | . | . | H | α-helix | trans | -66.6 | -39.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | E298 L299 L300 T306 | E298-G302 PolarHBondContact O-N 3.31Å; L299-G302 PolarHBondContact O-N 3.29Å; L300-G302 PolarHBondContact O-N 2.97Å; G302-T306 PolarHBondContact O-OG1 3.43Å |
| 303 | G | 89.4 | Confident | 93.5 | Very high | 12 Ų | 12 | 11.6 Ų | 11.6 | 12% | 0.124 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -81.1 | -12.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | L299 L300 T307 | L299-G303 PolarHBondContact O-N 2.84Å; L300-G303 PolarHBondContact O-N 2.87Å; G303-T307 WeakPolarHBondContact O-CG2 3.47Å; G303-T307 PolarHBondContact O-OG1 3.46Å |
| 304 | H | 91.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 10.5 Ų | 10.5 | 2% | 0.019 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -99 | -68.2 | -177.2 | 172.8 | -105.9 | 0 | 0 | 0 | 113.7 | K182 F186 F216 L300 T306 T307 A308 | K182-H304 WeakPolarHBondContact CE-CE1 3.42Å; K182-H304 PolarHBondContact O-CD2 3.25Å; K182-H304 VanDerWaalsContact O-CD2 3.25Å; K182-H304 PolarHBondContact O-NE2 2.87Å; F186-H304 PolarHBondContact N-CD2 3.43Å; F216-H304 HydrophobicContact CE1-CB 3.92Å; F216-H304 AromaticContact CE1-CE1 3.95Å; F216-H304 AromaticContact CE1-CG 3.71Å; F216-H304 AromaticContact CE1-ND1 3.39Å; F216-H304 WeakPolarHBondContact CE1-ND1 3.34Å; F216-H304 HydrophobicContact CZ-CB 4.09Å; L300-H304 VanDerWaalsContact O-CB 3.29Å; L300-H304 WeakPolarHBondContact O-CB 3.24Å; L300-H304 PolarHBondContact O-N 3.38Å; L300-H304 VanDerWaalsContact O-N 3.09Å; H304-T306 VanDerWaalsContact C-N 3.33Å; H304-T306 PolarHBondContact O-N 3.31Å; H304-T307 PolarHBondContact O-OG1 3.27Å; H304-A308 VanDerWaalsContact O-CB 3.23Å; H304-A308 WeakPolarHBondContact O-CB 3.25Å; H304-A308 PolarHBondContact O-N 3.07Å |
| 305 | E | 89.8 | Confident | 94 | Very high | 14 Ų | 14 | 9.6 Ų | 9.6 | 7% | 0.065 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -67.3 | -34.7 | -168.6 | -77.4 | -67.5 | 159.5 | 0 | 0 | 112.3 | K182 S309 T481 | K182-E305 WeakPolarHBondContact CE-OE1 3.49Å; K182-E305 IonicContact NZ-OE1 3.33Å; K182-E305 PolarHBondContact NZ-OE1 2.84Å; K182-E305 VanDerWaalsContact NZ-OE1 3.11Å; E305-S309 VanDerWaalsContact O-CB 3.27Å; E305-S309 WeakPolarHBondContact O-CB 3.48Å; E305-S309 PolarHBondContact O-N 2.83Å; E305-S309 VanDerWaalsContact O-N 3.16Å; E305-T481 HydrophobicContact CB-CG2 4.04Å |
| 306 | T | 95.6 | Very high | 94.3 | Very high | 45 Ų | 45 | 9.8 Ų | 9.8 | 28% | 0.276 | 6% | 0.063 | S | C | . | . | H | α-helix | trans | -78.5 | -40.2 | -175.7 | 68.5 | 0 | 0 | 0 | 0 | 112.8 | G302 H304 A310 P371 V372 T481 | G302-T306 PolarHBondContact O-OG1 3.43Å; H304-T306 VanDerWaalsContact C-N 3.33Å; H304-T306 PolarHBondContact O-N 3.31Å; T306-A310 PolarHBondContact O-N 3.23Å; T306-A310 VanDerWaalsContact O-N 3.1Å; T306-P371 HydrophobicContact CG2-CB 4.45Å; T306-P371 WeakPolarHBondContact O-CB 3.5Å; T306-P371 VanDerWaalsContact O-CG 3.24Å; T306-P371 WeakPolarHBondContact O-CG 3.27Å; T306-V372 HydrophobicContact CG2-CG2 3.9Å; T306-T481 HydrophobicContact CG2-CG2 4.22Å |
| 307 | T | 96.9 | Very high | 94.6 | Very high | 3 Ų | 3 | 11.5 Ų | 11.5 | 2% | 0.018 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -70.4 | -38.6 | 176 | 53.5 | 0 | 0 | 0 | 0 | 110.5 | M185 G303 H304 A310 A311 A450 L453 | M185-T307 WeakPolarHBondContact CG-OG1 3.47Å; G303-T307 WeakPolarHBondContact O-CG2 3.47Å; G303-T307 PolarHBondContact O-OG1 3.46Å; H304-T307 PolarHBondContact O-OG1 3.27Å; T307-A310 PolarHBondContact O-N 3.22Å; T307-A311 VanDerWaalsContact O-CB 3.25Å; T307-A311 WeakPolarHBondContact O-CB 3.45Å; T307-A311 PolarHBondContact O-N 3.28Å; T307-A450 HydrophobicContact CG2-CB 4.43Å; T307-L453 HydrophobicContact CG2-CD1 4.49Å |
| 308 | A | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62 | -47.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V181 K182 M185 H304 A310 A311 T312 | V181-A308 HydrophobicContact CG1-CB 3.95Å; K182-A308 HydrophobicContact CG-CB 3.92Å; M185-A308 HydrophobicContact CB-CB 4.29Å; M185-A308 HydrophobicContact CG-CB 3.84Å; H304-A308 VanDerWaalsContact O-CB 3.23Å; H304-A308 WeakPolarHBondContact O-CB 3.25Å; H304-A308 PolarHBondContact O-N 3.07Å; A308-A310 VanDerWaalsContact C-N 3.34Å; A308-A310 PolarHBondContact O-N 2.9Å; A308-A311 PolarHBondContact O-N 3.4Å; A308-T312 WeakPolarHBondContact O-CB 3.48Å; A308-T312 PolarHBondContact O-N 2.87Å; A308-T312 PolarHBondContact O-OG1 2.91Å |
| 309 | S | 97.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 11.4 Ų | 11.4 | 1% | 0.007 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -55.1 | -45.7 | 173.6 | 174.9 | 0 | 0 | 0 | 0 | 113 | E305 S313 V482 | E305-S309 VanDerWaalsContact O-CB 3.27Å; E305-S309 WeakPolarHBondContact O-CB 3.48Å; E305-S309 PolarHBondContact O-N 2.83Å; E305-S309 VanDerWaalsContact O-N 3.16Å; S309-S313 WeakPolarHBondContact O-CB 3.47Å; S309-S313 PolarHBondContact O-N 3.31Å; S309-S313 PolarHBondContact O-OG 2.79Å; S309-V482 WeakPolarHBondContact CB-O 3.47Å; S309-V482 PolarHBondContact OG-N 2.9Å; S309-V482 PolarHBondContact OG-O 3.07Å |
| 310 | A | 98.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 13.6 Ų | 13.6 | 2% | 0.017 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -68.2 | -45.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T306 T307 A308 S313 L314 L366 P371 L454 | T306-A310 PolarHBondContact O-N 3.23Å; T306-A310 VanDerWaalsContact O-N 3.1Å; T307-A310 PolarHBondContact O-N 3.22Å; A308-A310 VanDerWaalsContact C-N 3.34Å; A308-A310 PolarHBondContact O-N 2.9Å; A310-S313 WeakPolarHBondContact O-CB 3.47Å; A310-S313 PolarHBondContact O-N 2.88Å; A310-L314 WeakPolarHBondContact O-CG 3.41Å; A310-L314 PolarHBondContact O-N 3.27Å; A310-L366 HydrophobicContact CB-CD2 3.93Å; A310-P371 HydrophobicContact CB-CG 3.87Å; A310-L454 HydrophobicContact CB-CD1 3.83Å; A310-L454 HydrophobicContact CB-CD2 3.81Å; A310-L454 HydrophobicContact CB-CG 4.49Å |
| 311 | A | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.9 | -43.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V181 M185 T307 A308 S313 L314 I315 L454 F457 | V181-A311 HydrophobicContact CG1-CB 3.74Å; M185-A311 HydrophobicContact CE-CB 3.77Å; T307-A311 VanDerWaalsContact O-CB 3.25Å; T307-A311 WeakPolarHBondContact O-CB 3.45Å; T307-A311 PolarHBondContact O-N 3.28Å; A308-A311 PolarHBondContact O-N 3.4Å; A311-S313 VanDerWaalsContact C-N 3.33Å; A311-S313 PolarHBondContact O-N 3.47Å; A311-L314 WeakPolarHBondContact O-CB 3.49Å; A311-L314 PolarHBondContact O-N 2.9Å; A311-I315 PolarHBondContact O-N 3.03Å; A311-L454 HydrophobicContact CB-CD2 4.09Å; A311-F457 HydrophobicContact CB-CD1 3.89Å; A311-F457 HydrophobicContact CB-CE1 3.56Å; A311-F457 HydrophobicContact CB-CZ 3.96Å |
| 312 | T | 98.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.4 | -38.7 | 173.7 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | V177 Y178 A308 L314 I315 A316 P484 L488 | V177-T312 HydrophobicContact CG1-CG2 4.37Å; Y178-T312 HydrophobicContact CD2-CG2 4.1Å; Y178-T312 WeakPolarHBondContact CD2-OG1 3.24Å; Y178-T312 HydrophobicContact CG-CG2 4.49Å; A308-T312 WeakPolarHBondContact O-CB 3.48Å; A308-T312 PolarHBondContact O-N 2.87Å; A308-T312 PolarHBondContact O-OG1 2.91Å; T312-L314 VanDerWaalsContact C-N 3.33Å; T312-L314 PolarHBondContact O-N 3.43Å; T312-I315 PolarHBondContact O-N 3.5Å; T312-A316 PolarHBondContact O-N 2.87Å; T312-P484 HydrophobicContact CG2-CG 3.75Å; T312-L488 HydrophobicContact CG2-CB 4.37Å; T312-L488 HydrophobicContact CG2-CD2 3.74Å |
| 313 | S | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.3 | -37.7 | 174 | -62.1 | 0 | 0 | 0 | 0 | 111.9 | S309 A310 A311 A316 Y317 N369 | S309-S313 WeakPolarHBondContact O-CB 3.47Å; S309-S313 PolarHBondContact O-N 3.31Å; S309-S313 PolarHBondContact O-OG 2.79Å; A310-S313 WeakPolarHBondContact O-CB 3.47Å; A310-S313 PolarHBondContact O-N 2.88Å; A311-S313 VanDerWaalsContact C-N 3.33Å; A311-S313 PolarHBondContact O-N 3.47Å; S313-A316 PolarHBondContact O-N 3.42Å; S313-Y317 WeakPolarHBondContact O-CD2 3.32Å; S313-Y317 PolarHBondContact O-N 2.89Å; S313-N369 PolarHBondContact OG-ND2 3.47Å |
| 314 | L | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.5 | -49 | 173.9 | -80.6 | 164.6 | 0 | 0 | 0 | 111.4 | A310 A311 T312 A316 Y317 L318 V361 I362 T365 L454 | A310-L314 WeakPolarHBondContact O-CG 3.41Å; A310-L314 PolarHBondContact O-N 3.27Å; A311-L314 WeakPolarHBondContact O-CB 3.49Å; A311-L314 PolarHBondContact O-N 2.9Å; T312-L314 VanDerWaalsContact C-N 3.33Å; T312-L314 PolarHBondContact O-N 3.43Å; L314-A316 VanDerWaalsContact C-N 3.3Å; L314-A316 PolarHBondContact O-N 3.33Å; L314-Y317 PolarHBondContact O-N 3.25Å; L314-L318 VanDerWaalsContact O-CB 3.32Å; L314-L318 WeakPolarHBondContact O-CB 3.38Å; L314-L318 WeakPolarHBondContact O-CG 3.04Å; L314-L318 PolarHBondContact O-N 3.42Å; L314-V361 HydrophobicContact CD2-CG1 3.95Å; L314-I362 HydrophobicContact CD1-CG1 4.23Å; L314-I362 HydrophobicContact CD2-CG1 4.1Å; L314-T365 HydrophobicContact CD2-CG2 4.21Å; L314-T365 VanDerWaalsContact CD2-OG1 3.29Å; L314-T365 WeakPolarHBondContact CD2-OG1 3.47Å; L314-T365 HydrophobicContact CG-CG2 3.99Å; L314-L454 HydrophobicContact CD1-CB 4.13Å; L314-L454 HydrophobicContact CD1-CD2 3.78Å; L314-L454 HydrophobicContact CD1-CG 4.42Å |
| 315 | I | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57 | -45.4 | 176.6 | -70 | 172 | 0 | 0 | 0 | 110.7 | W167 V177 V181 A311 T312 G319 F457 L461 W467 L488 F492 | W167-I315 HydrophobicContact CH2-CD1 4.05Å; W167-I315 HydrophobicContact CZ3-CD1 3.85Å; V177-I315 HydrophobicContact CG1-CB 4.45Å; V177-I315 HydrophobicContact CG1-CD1 3.47Å; V177-I315 VanDerWaalsContact CG1-CD1 3.47Å; V177-I315 HydrophobicContact CG1-CG2 4.22Å; V181-I315 HydrophobicContact CG2-CD1 4.04Å; A311-I315 PolarHBondContact O-N 3.03Å; T312-I315 PolarHBondContact O-N 3.5Å; I315-G319 PolarHBondContact O-N 3.36Å; I315-F457 HydrophobicContact CD1-CE1 4.03Å; I315-F457 HydrophobicContact CD1-CZ 3.68Å; I315-F457 HydrophobicContact CG1-CE1 4.03Å; I315-F457 HydrophobicContact CG1-CZ 4.18Å; I315-L461 HydrophobicContact CD1-CD1 4.21Å; I315-L461 HydrophobicContact CG1-CD1 3.65Å; I315-W467 PolarHBondContact O-NE1 3.05Å; I315-L488 HydrophobicContact CB-CD2 4.37Å; I315-L488 HydrophobicContact CG2-CD2 4.03Å; I315-F492 HydrophobicContact CD1-CZ 4.45Å; I315-F492 HydrophobicContact CG2-CZ 4.3Å |
| 316 | A | 98.4 | Very high | 97.7 | Very high | 4 Ų | 4 | 24.5 Ų | 24.5 | 3% | 0.033 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62 | -51.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T312 S313 L314 G319 L320 P474 L488 | T312-A316 PolarHBondContact O-N 2.87Å; S313-A316 PolarHBondContact O-N 3.42Å; L314-A316 VanDerWaalsContact C-N 3.3Å; L314-A316 PolarHBondContact O-N 3.33Å; A316-G319 PolarHBondContact O-N 3.07Å; A316-L320 WeakPolarHBondContact O-CB 3.33Å; A316-L320 WeakPolarHBondContact O-CG 3.48Å; A316-L320 PolarHBondContact O-N 3.06Å; A316-P474 HydrophobicContact CB-CG 4.03Å; A316-L488 HydrophobicContact CB-CD1 4.06Å; A316-L488 HydrophobicContact CB-CD2 3.98Å |
| 317 | Y | 98.4 | Very high | 97.7 | Very high | 36 Ų | 36 | 26.2 Ų | 26.2 | 14% | 0.141 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.6 | -44.6 | -177.9 | -75.7 | -58.3 | 0 | 0 | 0 | 112.6 | S313 L314 G319 L320 H321 T365 L368 N369 F416 | S313-Y317 WeakPolarHBondContact O-CD2 3.32Å; S313-Y317 PolarHBondContact O-N 2.89Å; L314-Y317 PolarHBondContact O-N 3.25Å; Y317-G319 PolarHBondContact O-N 2.87Å; Y317-L320 PolarHBondContact O-N 2.9Å; Y317-H321 WeakPolarHBondContact O-CB 3.31Å; Y317-H321 PolarHBondContact O-N 2.97Å; Y317-H321 PolarHBondContact O-ND1 3.15Å; Y317-T365 HydrophobicContact CD2-CG2 3.94Å; Y317-T365 HydrophobicContact CE2-CG2 4.25Å; Y317-L368 HydrophobicContact CE1-CD1 4.1Å; Y317-L368 HydrophobicContact CE2-CB 4.29Å; Y317-L368 WeakPolarHBondContact OH-CB 3.26Å; Y317-N369 HydrophobicContact CE2-CB 4.37Å; Y317-N369 WeakPolarHBondContact CE2-ND2 3.47Å; Y317-N369 VanDerWaalsContact OH-CG 3.28Å; Y317-N369 PolarHBondContact OH-ND2 3.03Å; Y317-N369 VanDerWaalsContact OH-ND2 3.14Å; Y317-N369 PolarHBondContact OH-OD1 3.3Å; Y317-N369 VanDerWaalsContact OH-OD1 3.11Å; Y317-F416 HydrophobicContact CD1-CB 3.96Å; Y317-F416 HydrophobicContact CD1-CD1 4.47Å; Y317-F416 AromaticContact CD1-CD2 3.52Å; Y317-F416 HydrophobicContact CD1-CD2 3.52Å; Y317-F416 HydrophobicContact CD1-CE2 4.14Å; Y317-F416 AromaticContact CD1-CG 3.74Å; Y317-F416 HydrophobicContact CD1-CG 3.74Å; Y317-F416 AromaticContact CD2-CD2 3.94Å; Y317-F416 HydrophobicContact CD2-CD2 3.94Å; Y317-F416 AromaticContact CD2-CE2 3.85Å; Y317-F416 HydrophobicContact CD2-CE2 3.85Å; Y317-F416 HydrophobicContact CE1-CB 4.31Å; Y317-F416 HydrophobicContact CE1-CD2 4.05Å; Y317-F416 HydrophobicContact CE1-CG 4.42Å; Y317-F416 HydrophobicContact CE2-CD2 4.42Å; Y317-F416 AromaticContact CG-CD2 3.49Å; Y317-F416 HydrophobicContact CG-CD2 3.49Å; Y317-F416 VanDerWaalsContact CG-CD2 3.49Å; Y317-F416 AromaticContact CG-CE2 3.6Å; Y317-F416 HydrophobicContact CG-CE2 3.6Å; Y317-F416 HydrophobicContact CG-CG 4.02Å; Y317-F416 HydrophobicContact CG-CZ 4.18Å |
| 318 | L | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.9 | -37.6 | 178.3 | -74.2 | 173.2 | 0 | 0 | 0 | 112.1 | L314 L320 H321 V324 L325 V361 T458 W467 | L314-L318 VanDerWaalsContact O-CB 3.32Å; L314-L318 WeakPolarHBondContact O-CB 3.38Å; L314-L318 WeakPolarHBondContact O-CG 3.04Å; L314-L318 PolarHBondContact O-N 3.42Å; L318-L320 VanDerWaalsContact C-N 3.3Å; L318-L320 PolarHBondContact O-N 3.42Å; L318-H321 CarbonylContact O-C 3.42Å; L318-H321 PolarHBondContact O-N 2.73Å; L318-V324 HydrophobicContact CD2-CB 4.35Å; L318-V324 HydrophobicContact CD2-CG1 3.8Å; L318-L325 HydrophobicContact CD2-CB 4.23Å; L318-V361 HydrophobicContact CD1-CG1 4.47Å; L318-V361 HydrophobicContact CD2-CG1 3.89Å; L318-V361 HydrophobicContact CG-CG1 4.25Å; L318-T458 HydrophobicContact CD1-CG2 3.98Å; L318-W467 HydrophobicContact CB-CH2 4.02Å; L318-W467 HydrophobicContact CB-CZ2 3.57Å; L318-W467 HydrophobicContact CD1-CH2 4.42Å |
| 319 | G | 97.2 | Very high | 97.7 | Very high | 22 Ų | 22 | 27.1 Ų | 27.1 | 23% | 0.227 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.2 | -28.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I315 A316 Y317 | I315-G319 PolarHBondContact O-N 3.36Å; A316-G319 PolarHBondContact O-N 3.07Å; Y317-G319 PolarHBondContact O-N 2.87Å |
| 320 | L | 97.4 | Very high | 97.6 | Very high | 60 Ų | 60 | 30.7 Ų | 30.7 | 31% | 0.314 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -84 | -17.9 | 174.5 | -69.5 | 171.1 | 0 | 0 | 0 | 113.5 | A316 Y317 L318 L469 P473 | A316-L320 WeakPolarHBondContact O-CB 3.33Å; A316-L320 WeakPolarHBondContact O-CG 3.48Å; A316-L320 PolarHBondContact O-N 3.06Å; Y317-L320 PolarHBondContact O-N 2.9Å; L318-L320 VanDerWaalsContact C-N 3.3Å; L318-L320 PolarHBondContact O-N 3.42Å; L320-L469 HydrophobicContact CD1-CD1 4.38Å; L320-L469 HydrophobicContact CD2-CD1 3.9Å; L320-L469 HydrophobicContact CG-CD1 3.75Å; L320-P473 HydrophobicContact CD1-CB 4.02Å; L320-P473 HydrophobicContact CD1-CG 4.38Å; L320-P473 HydrophobicContact CD2-CB 4.22Å; L320-P473 HydrophobicContact CD2-CG 3.79Å |
| 321 | H | 97.7 | Very high | 97.5 | Very high | 42 Ų | 42 | 32 Ų | 32 | 19% | 0.194 | 16% | 0.162 | C | C | . | . | trans | -129.1 | 71.7 | -175.2 | -55.7 | 77.1 | 0 | 0 | 0 | 110.9 | Y317 L318 H323 V324 L325 F416 | Y317-H321 WeakPolarHBondContact O-CB 3.31Å; Y317-H321 PolarHBondContact O-N 2.97Å; Y317-H321 PolarHBondContact O-ND1 3.15Å; L318-H321 CarbonylContact O-C 3.42Å; L318-H321 PolarHBondContact O-N 2.73Å; H321-H323 AromaticContact CD2-CE1 3.92Å; H321-H323 PolarHBondContact O-N 3.24Å; H321-H323 VanDerWaalsContact O-N 3.09Å; H321-V324 HydrophobicContact CB-CB 4.17Å; H321-V324 HydrophobicContact CB-CG2 3.9Å; H321-V324 WeakPolarHBondContact O-CB 3.32Å; H321-V324 PolarHBondContact O-N 3.4Å; H321-L325 PolarHBondContact O-N 3.03Å; H321-F416 HydrophobicContact CB-CD1 4.26Å; H321-F416 AromaticContact CG-CD1 3.81Å; H321-F416 AromaticContact ND1-CD1 3.78Å | ||
| 322 | P | 95.7 | Very high | 97.2 | Very high | 90 Ų | 90 | 32 Ų | 32 | 58% | 0.584 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -55.8 | -31.2 | -177.5 | -27 | 35.1 | 0 | 0 | 0 | 114.1 | V324 L325 H326 | P322-V324 VanDerWaalsContact C-N 3.31Å; P322-V324 PolarHBondContact O-N 2.89Å; P322-L325 PolarHBondContact O-N 2.85Å; P322-H326 WeakPolarHBondContact O-CB 3.2Å; P322-H326 PolarHBondContact O-N 2.83Å |
| 323 | H | 97.1 | Very high | 96.8 | Very high | 112 Ų | 112 | 36.5 Ų | 36.5 | 52% | 0.519 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.7 | -32.6 | 176.1 | 67.8 | -86 | 0 | 0 | 0 | 113.1 | H321 K327 | H321-H323 AromaticContact CD2-CE1 3.92Å; H321-H323 PolarHBondContact O-N 3.24Å; H321-H323 VanDerWaalsContact O-N 3.09Å; H323-K327 PolarHBondContact O-N 3.5Å |
| 324 | V | 98.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.3 | -44.6 | 172.9 | 176.3 | 0 | 0 | 0 | 0 | 109.8 | L318 H321 P322 H326 K327 V328 Y357 V361 F416 P418 | L318-V324 HydrophobicContact CD2-CB 4.35Å; L318-V324 HydrophobicContact CD2-CG1 3.8Å; H321-V324 HydrophobicContact CB-CB 4.17Å; H321-V324 HydrophobicContact CB-CG2 3.9Å; H321-V324 WeakPolarHBondContact O-CB 3.32Å; H321-V324 PolarHBondContact O-N 3.4Å; P322-V324 VanDerWaalsContact C-N 3.31Å; P322-V324 PolarHBondContact O-N 2.89Å; V324-H326 VanDerWaalsContact C-N 3.26Å; V324-H326 PolarHBondContact O-N 3.22Å; V324-K327 PolarHBondContact O-N 2.9Å; V324-V328 WeakPolarHBondContact O-CG2 3.18Å; V324-V328 PolarHBondContact O-N 3.34Å; V324-Y357 HydrophobicContact CG1-CE1 4.11Å; V324-V361 HydrophobicContact CG1-CG1 4.45Å; V324-V361 HydrophobicContact CG1-CG2 3.6Å; V324-F416 HydrophobicContact CB-CE1 4.42Å; V324-F416 HydrophobicContact CG1-CE1 4.08Å; V324-F416 HydrophobicContact CG2-CD1 4.34Å; V324-F416 HydrophobicContact CG2-CE1 4.16Å; V324-P418 HydrophobicContact CG1-CG 3.8Å; V324-P418 HydrophobicContact CG2-CG 4.19Å |
| 325 | L | 97.4 | Very high | 96.1 | Very high | 12 Ų | 12 | 44.2 Ų | 44.2 | 6% | 0.063 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.8 | -40.6 | 176 | 179.5 | 59.6 | 0 | 0 | 0 | 111.3 | L318 H321 P322 V328 R329 A462 W467 | L318-L325 HydrophobicContact CD2-CB 4.23Å; H321-L325 PolarHBondContact O-N 3.03Å; P322-L325 PolarHBondContact O-N 2.85Å; L325-V328 WeakPolarHBondContact O-CB 3.44Å; L325-V328 PolarHBondContact O-N 3.46Å; L325-R329 WeakPolarHBondContact O-CG 3.4Å; L325-R329 PolarHBondContact O-N 3.47Å; L325-A462 HydrophobicContact CD1-CB 3.99Å; L325-W467 HydrophobicContact CD1-CH2 3.99Å; L325-W467 HydrophobicContact CD1-CZ3 4.39Å; L325-W467 HydrophobicContact CD2-CH2 3.86Å; L325-W467 HydrophobicContact CD2-CZ3 3.93Å |
| 326 | H | 96.4 | Very high | 95.5 | Very high | 81 Ų | 81 | 45.3 Ų | 45.3 | 38% | 0.375 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.2 | -46.7 | 174.3 | 177.1 | 92.8 | 0 | 0 | 0 | 111.9 | P322 V324 V328 R329 E330 I499 | P322-H326 WeakPolarHBondContact O-CB 3.2Å; P322-H326 PolarHBondContact O-N 2.83Å; V324-H326 VanDerWaalsContact C-N 3.26Å; V324-H326 PolarHBondContact O-N 3.22Å; H326-V328 VanDerWaalsContact C-N 3.31Å; H326-V328 PolarHBondContact O-N 3.28Å; H326-R329 PolarHBondContact O-N 2.94Å; H326-R329 VanDerWaalsContact O-N 3.13Å; H326-E330 PolarHBondContact O-N 3.45Å; H326-I499 WeakPolarHBondContact CE1-CG2 3.42Å; H326-I499 PolarHBondContact CE1-OXT 2.88Å; H326-I499 VanDerWaalsContact ND1-CG2 3.31Å; H326-I499 WeakPolarHBondContact ND1-CG2 3.4Å; H326-I499 PolarHBondContact ND1-OXT 3.04Å |
| 327 | K | 97.4 | Very high | 94.9 | Very high | 82 Ų | 82 | 45.4 Ų | 45.4 | 36% | 0.357 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.6 | -37.5 | 173.9 | -74.9 | 176.8 | 173.4 | 178.7 | 0 | 113 | H323 V324 E330 E331 Y357 D419 | H323-K327 PolarHBondContact O-N 3.5Å; V324-K327 PolarHBondContact O-N 2.9Å; K327-E330 PolarHBondContact O-N 3.13Å; K327-E331 PolarHBondContact O-N 3.37Å; K327-Y357 HydrophobicContact CB-CD1 3.83Å; K327-Y357 HydrophobicContact CB-CE1 3.3Å; K327-Y357 HydrophobicContact CD-CE1 3.98Å; K327-Y357 HydrophobicContact CD-CE2 4.29Å; K327-Y357 VanDerWaalsContact CD-OH 3.26Å; K327-Y357 WeakPolarHBondContact CD-OH 3.35Å; K327-Y357 HydrophobicContact CG-CE1 4.31Å; K327-D419 IonicContact NZ-OD1 3.23Å; K327-D419 PolarHBondContact NZ-OD1 3.4Å; K327-D419 VanDerWaalsContact NZ-OD1 3.16Å; K327-D419 IonicContact NZ-OD2 2.58Å; K327-D419 PolarHBondContact NZ-OD2 2.87Å |
| 328 | V | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.7 | -45.5 | 172.9 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | V324 L325 H326 E331 I332 Y357 V361 T458 A462 | V324-V328 WeakPolarHBondContact O-CG2 3.18Å; V324-V328 PolarHBondContact O-N 3.34Å; L325-V328 WeakPolarHBondContact O-CB 3.44Å; L325-V328 PolarHBondContact O-N 3.46Å; H326-V328 VanDerWaalsContact C-N 3.31Å; H326-V328 PolarHBondContact O-N 3.28Å; V328-E331 PolarHBondContact O-N 3.48Å; V328-I332 HydrophobicContact CG1-CD1 3.61Å; V328-I332 HydrophobicContact CG1-CG1 4.38Å; V328-I332 VanDerWaalsContact O-CG1 3.23Å; V328-I332 WeakPolarHBondContact O-CG1 3.32Å; V328-I332 PolarHBondContact O-N 2.93Å; V328-Y357 HydrophobicContact CG2-CD1 3.9Å; V328-Y357 HydrophobicContact CG2-CE1 4.05Å; V328-V361 HydrophobicContact CG2-CG2 3.75Å; V328-T458 HydrophobicContact CG1-CG2 4.19Å; V328-A462 HydrophobicContact CG1-CB 3.97Å |
| 329 | R | 96.5 | Very high | 92.2 | Very high | 21 Ų | 21 | 48.2 Ų | 48.2 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 176.9 | -71.7 | 178.7 | 171.2 | 154.7 | 3.8 | 112.1 | L325 H326 E331 I332 K333 L338 A462 C465 D466 F495 I499 | L325-R329 WeakPolarHBondContact O-CG 3.4Å; L325-R329 PolarHBondContact O-N 3.47Å; H326-R329 PolarHBondContact O-N 2.94Å; H326-R329 VanDerWaalsContact O-N 3.13Å; R329-E331 PolarHBondContact O-N 3.43Å; R329-I332 PolarHBondContact O-N 3.38Å; R329-K333 WeakPolarHBondContact O-CB 3.34Å; R329-K333 PolarHBondContact O-N 2.84Å; R329-L338 HydrophobicContact CB-CD1 4.01Å; R329-L338 HydrophobicContact CG-CD1 4.44Å; R329-L338 WeakPolarHBondContact O-CD1 3.4Å; R329-A462 HydrophobicContact CG-CB 4.08Å; R329-A462 PolarHBondContact NE-O 3.04Å; R329-C465 PolarHBondContact NH2-O 3.4Å; R329-D466 IonicContact CZ-OD1 2.88Å; R329-D466 VanDerWaalsContact CZ-OD1 3.23Å; R329-D466 IonicContact NH1-OD1 2.81Å; R329-D466 PolarHBondContact NH1-OD1 3.32Å; R329-D466 IonicContact NH2-OD1 2.6Å; R329-D466 PolarHBondContact NH2-OD1 2.75Å; R329-F495 VanDerWaalsContact NH1-CE2 3.33Å; R329-I499 HydrophobicContact CB-CD1 3.84Å; R329-I499 HydrophobicContact CB-CG1 4.21Å; R329-I499 HydrophobicContact CB-CG2 4.49Å |
| 330 | E | 95.5 | Very high | 90.3 | Very high | 77 Ų | 77 | 56.1 Ų | 56.1 | 36% | 0.36 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 174 | -78.2 | -64.4 | 109.2 | 0 | 0 | 112.1 | H326 K327 K333 S334 I499 | H326-E330 PolarHBondContact O-N 3.45Å; K327-E330 PolarHBondContact O-N 3.13Å; E330-K333 PolarHBondContact O-N 2.82Å; E330-K333 IonicContact OE1-NZ 3.59Å; E330-S334 PolarHBondContact O-N 3.5Å; E330-I499 HydrophobicContact CG-CG2 3.86Å; E330-I499 WeakPolarHBondContact OE1-CG2 3.45Å |
| 331 | E | 95.2 | Very high | 88 | Confident | 28 Ų | 28 | 58.3 Ų | 58.3 | 13% | 0.131 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.1 | -49.2 | 173.4 | 179.2 | 176.2 | -115.4 | 0 | 0 | 111.3 | K327 V328 R329 K333 S334 Q335 L355 K356 Y357 T358 | K327-E331 PolarHBondContact O-N 3.37Å; V328-E331 PolarHBondContact O-N 3.48Å; R329-E331 PolarHBondContact O-N 3.43Å; E331-K333 VanDerWaalsContact C-N 3.33Å; E331-K333 PolarHBondContact O-N 3.4Å; E331-S334 WeakPolarHBondContact O-CB 3.42Å; E331-S334 PolarHBondContact O-N 3.5Å; E331-S334 PolarHBondContact O-OG 3.14Å; E331-Q335 PolarHBondContact O-N 3.22Å; E331-L355 HydrophobicContact CG-CD2 3.85Å; E331-L355 WeakPolarHBondContact OE2-CA 3.34Å; E331-K356 PolarHBondContact OE1-N 2.94Å; E331-Y357 WeakPolarHBondContact OE1-CB 3.35Å; E331-Y357 PolarHBondContact OE1-N 3.42Å; E331-Y357 PolarHBondContact OE2-N 2.86Å; E331-T358 WeakPolarHBondContact OE2-CB 3.47Å; E331-T358 PolarHBondContact OE2-N 3.44Å; E331-T358 PolarHBondContact OE2-OG1 3.25Å |
| 332 | I | 92.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.4 | -38.2 | -180 | -67.9 | 169.4 | 0 | 0 | 0 | 111.3 | V328 R329 Q335 G336 L337 L338 L355 V459 A462 R463 | V328-I332 HydrophobicContact CG1-CD1 3.61Å; V328-I332 HydrophobicContact CG1-CG1 4.38Å; V328-I332 VanDerWaalsContact O-CG1 3.23Å; V328-I332 WeakPolarHBondContact O-CG1 3.32Å; V328-I332 PolarHBondContact O-N 2.93Å; R329-I332 PolarHBondContact O-N 3.38Å; I332-Q335 PolarHBondContact O-N 3.31Å; I332-G336 PolarHBondContact O-N 2.88Å; I332-L337 HydrophobicContact CG2-CB 3.46Å; I332-L337 VanDerWaalsContact CG2-CB 3.46Å; I332-L337 HydrophobicContact CG2-CD1 4.09Å; I332-L337 HydrophobicContact CG2-CG 4.4Å; I332-L337 PolarHBondContact O-N 3.28Å; I332-L337 VanDerWaalsContact O-N 3.12Å; I332-L338 HydrophobicContact CB-CD1 4.17Å; I332-L338 HydrophobicContact CB-CG 4.49Å; I332-L338 HydrophobicContact CG2-CD1 3.97Å; I332-L338 HydrophobicContact CG2-CG 3.76Å; I332-L355 HydrophobicContact CG1-CD2 4.28Å; I332-V459 HydrophobicContact CD1-CB 4.26Å; I332-V459 HydrophobicContact CD1-CG1 4.25Å; I332-V459 HydrophobicContact CD1-CG2 4.02Å; I332-V459 HydrophobicContact CG1-CG2 4.29Å; I332-V459 HydrophobicContact CG2-CG1 4.49Å; I332-A462 HydrophobicContact CD1-CB 3.67Å; I332-R463 HydrophobicContact CG2-CG 3.96Å |
| 333 | K | 91.3 | Very high | 83.3 | Confident | 97 Ų | 97 | 65.3 Ų | 65.3 | 42% | 0.422 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 174 | 179.6 | 172.3 | 166.1 | -167.8 | 0 | 111.6 | R329 E330 E331 Q335 G336 L338 I499 | R329-K333 WeakPolarHBondContact O-CB 3.34Å; R329-K333 PolarHBondContact O-N 2.84Å; E330-K333 PolarHBondContact O-N 2.82Å; E330-K333 IonicContact OE1-NZ 3.59Å; E331-K333 VanDerWaalsContact C-N 3.33Å; E331-K333 PolarHBondContact O-N 3.4Å; K333-Q335 PolarHBondContact O-N 3.36Å; K333-G336 PolarHBondContact O-N 3.3Å; K333-L338 HydrophobicContact CB-CB 4.27Å; K333-L338 HydrophobicContact CB-CD1 4.05Å; K333-I499 HydrophobicContact CB-CD1 3.99Å; K333-I499 HydrophobicContact CD-CD1 3.53Å; K333-I499 HydrophobicContact CG-CD1 4.4Å |
| 334 | S | 91 | Very high | 81 | Confident | 85 Ų | 85 | 62.8 Ų | 62.8 | 59% | 0.594 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.9 | -27.1 | 176.8 | 80.6 | 0 | 0 | 0 | 0 | 113.2 | E330 E331 G336 | E330-S334 PolarHBondContact O-N 3.5Å; E331-S334 WeakPolarHBondContact O-CB 3.42Å; E331-S334 PolarHBondContact O-N 3.5Å; E331-S334 PolarHBondContact O-OG 3.14Å; S334-G336 VanDerWaalsContact C-N 3.33Å |
| 335 | Q | 89.4 | Confident | 79 | Confident | 77 Ų | 77 | 64.1 Ų | 64.1 | 36% | 0.36 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 5.7 | 174.8 | -58.2 | -54.4 | -56.7 | 0 | 0 | 113.3 | E331 I332 K333 L337 T351 L355 | E331-Q335 PolarHBondContact O-N 3.22Å; I332-Q335 PolarHBondContact O-N 3.31Å; K333-Q335 PolarHBondContact O-N 3.36Å; Q335-L337 VanDerWaalsContact C-N 3.31Å; Q335-L337 HydrophobicContact CB-CD1 4.33Å; Q335-L337 HydrophobicContact CB-CG 4.26Å; Q335-L337 PolarHBondContact O-N 3.39Å; Q335-T351 HydrophobicContact CB-CG2 4.45Å; Q335-L355 HydrophobicContact CG-CD2 3.85Å |
| 336 | G | 86.4 | Confident | 77.8 | Confident | 23 Ų | 23 | 72.3 Ų | 72.3 | 24% | 0.237 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 12.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | I332 K333 S334 | I332-G336 PolarHBondContact O-N 2.88Å; K333-G336 PolarHBondContact O-N 3.3Å; S334-G336 VanDerWaalsContact C-N 3.33Å |
| 337 | L | 85.4 | Confident | 77.4 | Confident | 6 Ų | 6 | 69.2 Ų | 69.2 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -9.9 | -174.9 | -63 | 175 | 0 | 0 | 0 | 113.8 | I332 Q335 L347 T351 V459 R463 | I332-L337 HydrophobicContact CG2-CB 3.46Å; I332-L337 VanDerWaalsContact CG2-CB 3.46Å; I332-L337 HydrophobicContact CG2-CD1 4.09Å; I332-L337 HydrophobicContact CG2-CG 4.4Å; I332-L337 PolarHBondContact O-N 3.28Å; I332-L337 VanDerWaalsContact O-N 3.12Å; Q335-L337 VanDerWaalsContact C-N 3.31Å; Q335-L337 HydrophobicContact CB-CD1 4.33Å; Q335-L337 HydrophobicContact CB-CG 4.26Å; Q335-L337 PolarHBondContact O-N 3.39Å; L337-L347 HydrophobicContact CD1-CD2 4.13Å; L337-T351 HydrophobicContact CD1-CG2 3.78Å; L337-T351 HydrophobicContact CD2-CG2 4.18Å; L337-T351 HydrophobicContact CG-CG2 4.24Å; L337-V459 HydrophobicContact CD1-CG1 4.26Å; L337-R463 PolarHBondContact O-NE 2.84Å; L337-R463 PolarHBondContact O-NH2 2.75Å |
| 338 | L | 78.8 | Confident | 77 | Confident | 37 Ų | 37 | 68.5 Ų | 68.5 | 19% | 0.194 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | 3.3 | 178 | -81.9 | 169 | 0 | 0 | 0 | 114.1 | R329 I332 K333 R463 F495 I499 | R329-L338 HydrophobicContact CB-CD1 4.01Å; R329-L338 HydrophobicContact CG-CD1 4.44Å; R329-L338 WeakPolarHBondContact O-CD1 3.4Å; I332-L338 HydrophobicContact CB-CD1 4.17Å; I332-L338 HydrophobicContact CB-CG 4.49Å; I332-L338 HydrophobicContact CG2-CD1 3.97Å; I332-L338 HydrophobicContact CG2-CG 3.76Å; K333-L338 HydrophobicContact CB-CB 4.27Å; K333-L338 HydrophobicContact CB-CD1 4.05Å; L338-R463 HydrophobicContact CD2-CB 4.2Å; L338-R463 HydrophobicContact CD2-CG 3.95Å; L338-R463 HydrophobicContact CG-CG 4.39Å; L338-F495 HydrophobicContact CD2-CD1 4.28Å; L338-F495 HydrophobicContact CD2-CE1 4.02Å; L338-I499 HydrophobicContact CD1-CD1 3.67Å |
| 339 | C | 62.2 | Low | 76.8 | Confident | 59 Ų | 59 | 69.2 Ų | 69.2 | 40% | 0.399 | 37% | 0.374 | S | S | . | . | trans | -82.6 | 128.5 | -175.1 | -66.5 | 0 | 0 | 0 | 0 | 112.7 | S341 N342 | C339-S341 PolarHBondContact O-N 2.91Å; C339-S341 VanDerWaalsContact O-N 3.15Å; C339-N342 PolarHBondContact O-N 3.14Å | ||
| 340 | K | 56.2 | Low | 76.6 | Confident | 188 Ų | 188 | 70.6 Ų | 70.6 | 82% | 0.817 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -25.6 | 177.6 | -72.5 | -177.9 | 179.2 | 174.3 | 0 | 114.4 | N342 | K340-N342 VanDerWaalsContact C-N 3.26Å; K340-N342 PolarHBondContact O-N 3.46Å |
| 341 | S | 50.7 | Low | 76.4 | Confident | 106 Ų | 106 | 68.4 Ų | 68.4 | 74% | 0.741 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -11.5 | 178.3 | 58.1 | 0 | 0 | 0 | 0 | 114 | C339 | C339-S341 PolarHBondContact O-N 2.91Å; C339-S341 VanDerWaalsContact O-N 3.15Å |
| 342 | N | 46.3 | Very low | 76.3 | Confident | 79 Ų | 79 | 67.3 Ų | 67.3 | 42% | 0.422 | 38% | 0.377 | S | S | . | . | trans | -116.2 | 56.8 | -177 | -87.2 | -4.5 | 0 | 0 | 0 | 111.6 | C339 K340 G344 S345 | C339-N342 PolarHBondContact O-N 3.14Å; K340-N342 VanDerWaalsContact C-N 3.26Å; K340-N342 PolarHBondContact O-N 3.46Å; N342-G344 PolarHBondContact O-N 3.36Å; N342-S345 PolarHBondContact O-N 2.92Å | ||
| 343 | Q | 48.4 | Very low | 76.3 | Confident | 200 Ų | 200 | 71.6 Ų | 71.6 | 94% | 0.935 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 0.1 | 161.2 | -74.8 | -175.8 | 3.8 | 0 | 0 | 113.3 | ||
| 344 | G | 48.2 | Very low | 76.4 | Confident | 60 Ų | 60 | 71.7 Ų | 71.7 | 62% | 0.619 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.6 | 11.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | N342 K346 | N342-G344 PolarHBondContact O-N 3.36Å; G344-K346 VanDerWaalsContact C-N 3.32Å; G344-K346 PolarHBondContact O-N 3.14Å |
| 345 | S | 56.8 | Low | 76.6 | Confident | 28 Ų | 28 | 67.7 Ų | 67.7 | 20% | 0.196 | 37% | 0.371 | C | S | . | . | trans | -70.1 | 92.6 | 173 | 64.8 | 0 | 0 | 0 | 0 | 109.5 | N342 L347 | N342-S345 PolarHBondContact O-N 2.92Å; S345-L347 PolarHBondContact O-N 3.35Å | ||
| 346 | K | 71.6 | Confident | 76.9 | Confident | 185 Ų | 185 | 70.7 Ų | 70.7 | 80% | 0.804 | 38% | 0.383 | S | S | * | . | trans | -65 | 128.1 | 176.5 | -69.6 | -173.9 | 178.1 | -176.6 | 0 | 108.8 | G344 D348 | G344-K346 VanDerWaalsContact C-N 3.32Å; G344-K346 PolarHBondContact O-N 3.14Å; K346-D348 PolarHBondContact O-N 3.23Å | ||
| 347 | L | 86.9 | Confident | 77.5 | Confident | 16 Ų | 16 | 70.7 Ų | 70.7 | 8% | 0.084 | 38% | 0.376 | C | S | . | . | trans | -58.4 | 131.2 | 165.8 | -85.4 | 162.9 | 0 | 0 | 0 | 108.6 | V153 L337 S345 L352 I456 V459 E460 | V153-L347 HydrophobicContact CG1-CB 3.88Å; V153-L347 WeakPolarHBondContact CG1-O 2.87Å; L337-L347 HydrophobicContact CD1-CD2 4.13Å; S345-L347 PolarHBondContact O-N 3.35Å; L347-L352 HydrophobicContact CD2-CD2 3.87Å; L347-L352 HydrophobicContact CD2-CG 4.3Å; L347-I456 HydrophobicContact CD1-CG2 4.16Å; L347-V459 HydrophobicContact CD1-CG1 4.1Å; L347-V459 HydrophobicContact CD2-CG1 4.16Å; L347-E460 HydrophobicContact CD1-CG 4.49Å; L347-E460 VanDerWaalsContact CD1-OE1 3.24Å; L347-E460 WeakPolarHBondContact CD1-OE1 3.48Å | ||
| 348 | D | 90.3 | Very high | 78.1 | Confident | 66 Ų | 66 | 70.4 Ų | 70.4 | 35% | 0.353 | 37% | 0.374 | S | S | . | . | trans | -133.5 | 169.9 | 173.3 | 70.3 | 4.2 | 0 | 0 | 0 | 110.6 | K346 A350 T351 L352 | K346-D348 PolarHBondContact O-N 3.23Å; D348-A350 VanDerWaalsContact C-N 3.27Å; D348-A350 PolarHBondContact O-N 3.35Å; D348-A350 PolarHBondContact OD1-N 3.36Å; D348-T351 PolarHBondContact O-N 3.28Å; D348-T351 WeakPolarHBondContact OD1-CB 3.33Å; D348-T351 PolarHBondContact OD1-N 2.56Å; D348-T351 PolarHBondContact OD1-OG1 3.19Å; D348-L352 WeakPolarHBondContact O-CB 3.5Å; D348-L352 VanDerWaalsContact O-CG 3.25Å; D348-L352 WeakPolarHBondContact O-CG 3.38Å; D348-L352 PolarHBondContact O-N 3.01Å | ||
| 349 | M | 92.6 | Very high | 78.9 | Confident | 15 Ų | 15 | 69.2 Ų | 69.2 | 7% | 0.074 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61 | -36.4 | -179.3 | -76.9 | -64 | -66 | 0 | 0 | 112.4 | L149 Q150 V153 L352 E353 V452 | L149-M349 HydrophobicContact CB-CE 4.28Å; L149-M349 HydrophobicContact CB-SD 4.2Å; Q150-M349 HydrophobicContact CB-CG 3.91Å; Q150-M349 HydrophobicContact CG-CG 4.35Å; V153-M349 HydrophobicContact CG2-CG 4.04Å; V153-M349 HydrophobicContact CG2-SD 3.89Å; M349-L352 PolarHBondContact O-N 2.82Å; M349-L352 HydrophobicContact SD-CD1 4.34Å; M349-E353 VanDerWaalsContact O-CG 3.25Å; M349-E353 WeakPolarHBondContact O-CG 3.32Å; M349-E353 PolarHBondContact O-N 2.87Å; M349-V452 HydrophobicContact CE-CG2 3.87Å; M349-V452 HydrophobicContact SD-CG1 4.17Å; M349-V452 HydrophobicContact SD-CG2 3.75Å |
| 350 | A | 91.8 | Very high | 80.6 | Confident | 51 Ų | 51 | 66.8 Ų | 66.8 | 42% | 0.421 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D348 E353 Q354 | D348-A350 VanDerWaalsContact C-N 3.27Å; D348-A350 PolarHBondContact O-N 3.35Å; D348-A350 PolarHBondContact OD1-N 3.36Å; A350-E353 PolarHBondContact O-N 3.43Å; A350-Q354 PolarHBondContact O-N 3.38Å |
| 351 | T | 91.5 | Very high | 82.6 | Confident | 31 Ų | 31 | 57.8 Ų | 57.8 | 19% | 0.19 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 176.2 | -55.5 | 0 | 0 | 0 | 0 | 110.7 | Q335 L337 D348 E353 Q354 L355 | Q335-T351 HydrophobicContact CB-CG2 4.45Å; L337-T351 HydrophobicContact CD1-CG2 3.78Å; L337-T351 HydrophobicContact CD2-CG2 4.18Å; L337-T351 HydrophobicContact CG-CG2 4.24Å; D348-T351 PolarHBondContact O-N 3.28Å; D348-T351 WeakPolarHBondContact OD1-CB 3.33Å; D348-T351 PolarHBondContact OD1-N 2.56Å; D348-T351 PolarHBondContact OD1-OG1 3.19Å; T351-E353 PolarHBondContact O-N 3.25Å; T351-Q354 PolarHBondContact O-N 3.01Å; T351-L355 PolarHBondContact O-N 3.29Å |
| 352 | L | 94.1 | Very high | 84.9 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.8 | -34.3 | 178.1 | -71.5 | 172.4 | 0 | 0 | 0 | 112.4 | V153 L347 D348 M349 Q354 L355 V452 K455 I456 | V153-L352 HydrophobicContact CG1-CD1 4.24Å; V153-L352 HydrophobicContact CG2-CD1 3.96Å; L347-L352 HydrophobicContact CD2-CD2 3.87Å; L347-L352 HydrophobicContact CD2-CG 4.3Å; D348-L352 WeakPolarHBondContact O-CB 3.5Å; D348-L352 VanDerWaalsContact O-CG 3.25Å; D348-L352 WeakPolarHBondContact O-CG 3.38Å; D348-L352 PolarHBondContact O-N 3.01Å; M349-L352 PolarHBondContact O-N 2.82Å; M349-L352 HydrophobicContact SD-CD1 4.34Å; L352-Q354 VanDerWaalsContact C-N 3.32Å; L352-L355 HydrophobicContact CD2-CD1 4.25Å; L352-L355 PolarHBondContact O-N 3.38Å; L352-V452 HydrophobicContact CD1-CG1 4.02Å; L352-K455 HydrophobicContact CD2-CB 3.93Å; L352-K455 PolarHBondContact O-NZ 3.4Å; L352-I456 HydrophobicContact CD1-CD1 4.03Å; L352-I456 HydrophobicContact CD1-CG1 3.78Å; L352-I456 HydrophobicContact CD2-CG1 3.88Å; L352-I456 HydrophobicContact CG-CG1 4.47Å |
| 353 | E | 92.8 | Very high | 87.3 | Confident | 91 Ų | 91 | 53.5 Ų | 53.5 | 43% | 0.425 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.9 | -30.9 | 176.3 | -75.8 | 173.7 | 154.2 | 0 | 0 | 113.1 | R146 M349 A350 T351 L355 | R146-E353 IonicContact CZ-OE1 3.38Å; R146-E353 IonicContact CZ-OE2 2.74Å; R146-E353 IonicContact NH1-OE1 2.66Å; R146-E353 PolarHBondContact NH1-OE1 2.97Å; R146-E353 IonicContact NH1-OE2 3.94Å; R146-E353 IonicContact NH2-OE1 3.61Å; R146-E353 IonicContact NH2-OE2 3.33Å; R146-E353 PolarHBondContact NH2-OE2 3.26Å; M349-E353 VanDerWaalsContact O-CG 3.25Å; M349-E353 WeakPolarHBondContact O-CG 3.32Å; M349-E353 PolarHBondContact O-N 2.87Å; A350-E353 PolarHBondContact O-N 3.43Å; T351-E353 PolarHBondContact O-N 3.25Å; E353-L355 VanDerWaalsContact C-N 3.34Å |
| 354 | Q | 93.7 | Very high | 89.6 | Confident | 99 Ų | 99 | 44 Ų | 44 | 46% | 0.463 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -76.3 | -18.1 | 177.6 | -60.5 | -54.5 | -29.6 | 0 | 0 | 113.9 | A350 T351 L352 K356 | A350-Q354 PolarHBondContact O-N 3.38Å; T351-Q354 PolarHBondContact O-N 3.01Å; L352-Q354 VanDerWaalsContact C-N 3.32Å; Q354-K356 VanDerWaalsContact C-N 3.25Å; Q354-K356 PolarHBondContact O-N 3.02Å |
| 355 | L | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -75.9 | 73.6 | 177.4 | -57.3 | 177.6 | 0 | 0 | 0 | 111.5 | E331 I332 Q335 T351 L352 E353 G359 K455 V459 | E331-L355 HydrophobicContact CG-CD2 3.85Å; E331-L355 WeakPolarHBondContact OE2-CA 3.34Å; I332-L355 HydrophobicContact CG1-CD2 4.28Å; Q335-L355 HydrophobicContact CG-CD2 3.85Å; T351-L355 PolarHBondContact O-N 3.29Å; L352-L355 HydrophobicContact CD2-CD1 4.25Å; L352-L355 PolarHBondContact O-N 3.38Å; E353-L355 VanDerWaalsContact C-N 3.34Å; L355-G359 PolarHBondContact O-N 2.92Å; L355-G359 VanDerWaalsContact O-N 3.15Å; L355-K455 PolarHBondContact O-NZ 3.13Å; L355-V459 HydrophobicContact CD1-CG2 3.31Å | ||
| 356 | K | 95.6 | Very high | 93.9 | Very high | 140 Ų | 140 | 40.2 Ų | 40.2 | 61% | 0.609 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -72.6 | -45.7 | -174.9 | -66.6 | 178.4 | -172.7 | 174 | 0 | 111.6 | E331 Q354 G359 C360 | E331-K356 PolarHBondContact OE1-N 2.94Å; Q354-K356 VanDerWaalsContact C-N 3.25Å; Q354-K356 PolarHBondContact O-N 3.02Å; K356-G359 WeakPolarHBondContact O-CA 3.43Å; K356-G359 PolarHBondContact O-N 2.96Å; K356-C360 PolarHBondContact O-N 3.49Å; K356-C360 PolarHBondContact O-SG 2.96Å |
| 357 | Y | 97.4 | Very high | 95 | Very high | 23 Ų | 23 | 31.8 Ų | 31.8 | 9% | 0.09 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.1 | -45.1 | 179.1 | -169.7 | -108.2 | 0 | 0 | 0 | 111.3 | V324 K327 V328 E331 G359 C360 V361 P418 D419 I422 | V324-Y357 HydrophobicContact CG1-CE1 4.11Å; K327-Y357 HydrophobicContact CB-CD1 3.83Å; K327-Y357 HydrophobicContact CB-CE1 3.3Å; K327-Y357 HydrophobicContact CD-CE1 3.98Å; K327-Y357 HydrophobicContact CD-CE2 4.29Å; K327-Y357 VanDerWaalsContact CD-OH 3.26Å; K327-Y357 WeakPolarHBondContact CD-OH 3.35Å; K327-Y357 HydrophobicContact CG-CE1 4.31Å; V328-Y357 HydrophobicContact CG2-CD1 3.9Å; V328-Y357 HydrophobicContact CG2-CE1 4.05Å; E331-Y357 WeakPolarHBondContact OE1-CB 3.35Å; E331-Y357 PolarHBondContact OE1-N 3.42Å; E331-Y357 PolarHBondContact OE2-N 2.86Å; Y357-G359 PolarHBondContact O-N 3.43Å; Y357-C360 CarbonylContact O-C 3.53Å; Y357-C360 WeakPolarHBondContact O-CA 3.32Å; Y357-C360 VanDerWaalsContact O-CB 3.23Å; Y357-C360 WeakPolarHBondContact O-CB 3.45Å; Y357-C360 PolarHBondContact O-N 3.26Å; Y357-V361 HydrophobicContact CD1-CG2 4.17Å; Y357-V361 HydrophobicContact CE1-CG2 3.88Å; Y357-V361 WeakPolarHBondContact O-CG2 3.4Å; Y357-V361 PolarHBondContact O-N 3.04Å; Y357-P418 HydrophobicContact CE2-CB 4.15Å; Y357-D419 WeakPolarHBondContact CE2-OD1 3.47Å; Y357-D419 PolarHBondContact OH-OD1 3.08Å; Y357-I422 HydrophobicContact CD2-CD1 4Å; Y357-I422 HydrophobicContact CD2-CG1 4.26Å; Y357-I422 HydrophobicContact CE2-CD1 4Å |
| 358 | T | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -54.9 | -41.2 | 171.1 | -56 | 0 | 0 | 0 | 0 | 111 | E331 C360 V361 I362 K455 T458 | E331-T358 WeakPolarHBondContact OE2-CB 3.47Å; E331-T358 PolarHBondContact OE2-N 3.44Å; E331-T358 PolarHBondContact OE2-OG1 3.25Å; T358-C360 VanDerWaalsContact C-N 3.31Å; T358-C360 PolarHBondContact O-N 3.5Å; T358-V361 PolarHBondContact O-N 3.07Å; T358-I362 HydrophobicContact CG2-CD1 4.37Å; T358-I362 WeakPolarHBondContact O-CG1 3.5Å; T358-I362 PolarHBondContact O-N 2.91Å; T358-I362 VanDerWaalsContact O-N 3.09Å; T358-K455 HydrophobicContact CG2-CG 4.38Å; T358-T458 HydrophobicContact CG2-CG2 3.82Å |
| 359 | G | 97.3 | Very high | 95.6 | Very high | 13 Ų | 13 | 30.5 Ų | 30.5 | 13% | 0.134 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.4 | -35.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114 | L355 K356 Y357 K363 | L355-G359 PolarHBondContact O-N 2.92Å; L355-G359 VanDerWaalsContact O-N 3.15Å; K356-G359 WeakPolarHBondContact O-CA 3.43Å; K356-G359 PolarHBondContact O-N 2.96Å; Y357-G359 PolarHBondContact O-N 3.43Å; G359-K363 VanDerWaalsContact O-CG 3.31Å; G359-K363 WeakPolarHBondContact O-CG 3.45Å; G359-K363 PolarHBondContact O-N 3.27Å |
| 360 | C | 96.9 | Very high | 95.8 | Very high | 7 Ų | 7 | 30 Ų | 30 | 5% | 0.047 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.5 | -40.7 | 175.7 | -62 | 0 | 0 | 0 | 0 | 112.1 | K356 Y357 T358 I362 K363 E364 P418 F421 | K356-C360 PolarHBondContact O-N 3.49Å; K356-C360 PolarHBondContact O-SG 2.96Å; Y357-C360 CarbonylContact O-C 3.53Å; Y357-C360 WeakPolarHBondContact O-CA 3.32Å; Y357-C360 VanDerWaalsContact O-CB 3.23Å; Y357-C360 WeakPolarHBondContact O-CB 3.45Å; Y357-C360 PolarHBondContact O-N 3.26Å; T358-C360 VanDerWaalsContact C-N 3.31Å; T358-C360 PolarHBondContact O-N 3.5Å; C360-I362 VanDerWaalsContact C-N 3.33Å; C360-I362 PolarHBondContact O-N 3.3Å; C360-K363 WeakPolarHBondContact O-CB 3.49Å; C360-K363 PolarHBondContact O-N 3.5Å; C360-E364 PolarHBondContact O-N 3.3Å; C360-P418 HydrophobicContact CB-CB 4.26Å; C360-P418 WeakPolarHBondContact CB-O 3.41Å; C360-F421 HydrophobicContact CB-CB 3.84Å; C360-F421 PolarHBondContact SG-O 3.09Å; C360-F421 VanDerWaalsContact SG-O 3.4Å |
| 361 | V | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.8 | -45.3 | 174.4 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | L314 L318 V324 V328 Y357 T358 E364 T365 F416 P418 | L314-V361 HydrophobicContact CD2-CG1 3.95Å; L318-V361 HydrophobicContact CD1-CG1 4.47Å; L318-V361 HydrophobicContact CD2-CG1 3.89Å; L318-V361 HydrophobicContact CG-CG1 4.25Å; V324-V361 HydrophobicContact CG1-CG1 4.45Å; V324-V361 HydrophobicContact CG1-CG2 3.6Å; V328-V361 HydrophobicContact CG2-CG2 3.75Å; Y357-V361 HydrophobicContact CD1-CG2 4.17Å; Y357-V361 HydrophobicContact CE1-CG2 3.88Å; Y357-V361 WeakPolarHBondContact O-CG2 3.4Å; Y357-V361 PolarHBondContact O-N 3.04Å; T358-V361 PolarHBondContact O-N 3.07Å; V361-E364 PolarHBondContact O-N 3.38Å; V361-T365 WeakPolarHBondContact O-CB 3.44Å; V361-T365 PolarHBondContact O-N 2.78Å; V361-T365 PolarHBondContact O-OG1 2.83Å; V361-F416 HydrophobicContact CG1-CZ 4.05Å; V361-P418 HydrophobicContact CB-CG 4.42Å; V361-P418 HydrophobicContact CG2-CB 3.88Å; V361-P418 HydrophobicContact CG2-CG 3.84Å |
| 362 | I | 98.4 | Very high | 96 | Very high | 7 Ų | 7 | 29.4 Ų | 29.4 | 4% | 0.036 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.4 | -44.5 | 175.9 | -65.3 | 164.6 | 0 | 0 | 0 | 110.8 | L314 T358 C360 E364 T365 L366 L454 K455 | L314-I362 HydrophobicContact CD1-CG1 4.23Å; L314-I362 HydrophobicContact CD2-CG1 4.1Å; T358-I362 HydrophobicContact CG2-CD1 4.37Å; T358-I362 WeakPolarHBondContact O-CG1 3.5Å; T358-I362 PolarHBondContact O-N 2.91Å; T358-I362 VanDerWaalsContact O-N 3.09Å; C360-I362 VanDerWaalsContact C-N 3.33Å; C360-I362 PolarHBondContact O-N 3.3Å; I362-E364 PolarHBondContact O-N 2.78Å; I362-T365 PolarHBondContact O-N 2.71Å; I362-L366 HydrophobicContact CG2-CD1 3.99Å; I362-L366 HydrophobicContact CG2-CG 4.38Å; I362-L366 VanDerWaalsContact O-CG 3.3Å; I362-L366 WeakPolarHBondContact O-CG 3.36Å; I362-L366 PolarHBondContact O-N 3.33Å; I362-L454 HydrophobicContact CD1-CB 3.93Å; I362-L454 HydrophobicContact CG1-CB 4.29Å; I362-L454 HydrophobicContact CG2-CB 4.29Å; I362-L454 HydrophobicContact CG2-CD1 4Å; I362-K455 HydrophobicContact CD1-CB 4.21Å; I362-K455 HydrophobicContact CD1-CG 3.47Å; I362-K455 VanDerWaalsContact CD1-CG 3.47Å |
| 363 | K | 96.6 | Very high | 95.9 | Very high | 87 Ų | 87 | 31 Ų | 31 | 38% | 0.378 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -59.4 | -45.3 | 176.9 | -75.6 | 174.2 | -179.2 | 177.6 | 0 | 112 | G359 C360 T365 L366 R367 F421 F434 | G359-K363 VanDerWaalsContact O-CG 3.31Å; G359-K363 WeakPolarHBondContact O-CG 3.45Å; G359-K363 PolarHBondContact O-N 3.27Å; C360-K363 WeakPolarHBondContact O-CB 3.49Å; C360-K363 PolarHBondContact O-N 3.5Å; K363-T365 VanDerWaalsContact C-N 3.34Å; K363-L366 CarbonylContact O-C 3.55Å; K363-L366 PolarHBondContact O-N 2.83Å; K363-R367 PolarHBondContact O-N 2.91Å; K363-F421 HydrophobicContact CB-CD1 4.15Å; K363-F421 HydrophobicContact CB-CD2 3.68Å; K363-F421 HydrophobicContact CB-CE1 4.21Å; K363-F421 HydrophobicContact CB-CE2 3.75Å; K363-F421 HydrophobicContact CB-CG 3.88Å; K363-F421 HydrophobicContact CB-CZ 4.02Å; K363-F421 HydrophobicContact CD-CB 4.02Å; K363-F421 HydrophobicContact CD-CD1 3.76Å; K363-F421 HydrophobicContact CD-CE1 4.32Å; K363-F421 HydrophobicContact CD-CG 3.85Å; K363-F434 HydrophobicContact CB-CE1 4.23Å; K363-F434 HydrophobicContact CB-CZ 3.86Å; K363-F434 HydrophobicContact CG-CE1 3.97Å; K363-F434 HydrophobicContact CG-CZ 4.06Å; K363-F434 WeakPolarHBondContact O-CE2 3.41Å; K363-F434 WeakPolarHBondContact O-CZ 3.28Å |
| 364 | E | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.8 | -37.7 | 179.7 | -174.6 | 67.1 | 165.9 | 0 | 0 | 112.2 | C360 V361 I362 L366 R367 L368 E415 F416 N417 P418 R420 F421 | C360-E364 PolarHBondContact O-N 3.3Å; V361-E364 PolarHBondContact O-N 3.38Å; I362-E364 PolarHBondContact O-N 2.78Å; E364-L366 PolarHBondContact O-N 2.95Å; E364-R367 WeakPolarHBondContact O-CB 3.47Å; E364-R367 PolarHBondContact O-N 3.29Å; E364-R367 IonicContact OE1-CZ 3.5Å; E364-R367 IonicContact OE1-NE 3.42Å; E364-R367 PolarHBondContact OE1-NE 2.96Å; E364-R367 IonicContact OE1-NH2 2.71Å; E364-R367 PolarHBondContact OE1-NH2 2.79Å; E364-R367 WeakPolarHBondContact OE2-CD 3.46Å; E364-R367 IonicContact OE2-CZ 2.85Å; E364-R367 IonicContact OE2-NE 3.7Å; E364-R367 PolarHBondContact OE2-NE 3.11Å; E364-R367 IonicContact OE2-NH2 3.18Å; E364-L368 HydrophobicContact CG-CD1 4.26Å; E364-L368 PolarHBondContact O-N 3.17Å; E364-L368 VanDerWaalsContact O-N 3.09Å; E364-E415 VanDerWaalsContact OE1-O 3.09Å; E364-F416 HydrophobicContact CB-CD2 4.39Å; E364-F416 HydrophobicContact CB-CE2 3.99Å; E364-F416 HydrophobicContact CG-CD2 3.62Å; E364-F416 HydrophobicContact CG-CE2 3.74Å; E364-F416 HydrophobicContact CG-CG 4.3Å; E364-N417 PolarHBondContact OE1-N 3.09Å; E364-N417 VanDerWaalsContact OE1-N 3.08Å; E364-P418 HydrophobicContact CB-CG 4.41Å; E364-R420 IonicContact OE1-CZ 3.93Å; E364-R420 IonicContact OE1-NE 2.72Å; E364-R420 PolarHBondContact OE1-NE 2.77Å; E364-R420 IonicContact OE1-NH2 3.22Å; E364-R420 VanDerWaalsContact OE2-CD 3.29Å; E364-R420 WeakPolarHBondContact OE2-CD 3.26Å; E364-R420 IonicContact OE2-NE 3.24Å; E364-R420 PolarHBondContact OE2-NE 3.44Å; E364-F421 HydrophobicContact CB-CD2 4.2Å; E364-F421 HydrophobicContact CB-CE2 4.02Å; E364-F421 VanDerWaalsContact OE2-CE2 3.27Å; E364-F421 WeakPolarHBondContact OE2-CE2 3.39Å |
| 365 | T | 97.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60 | -47.7 | 172.8 | -60.3 | 0 | 0 | 0 | 0 | 111.3 | L314 Y317 V361 I362 K363 R367 L368 N369 | L314-T365 HydrophobicContact CD2-CG2 4.21Å; L314-T365 VanDerWaalsContact CD2-OG1 3.29Å; L314-T365 WeakPolarHBondContact CD2-OG1 3.47Å; L314-T365 HydrophobicContact CG-CG2 3.99Å; Y317-T365 HydrophobicContact CD2-CG2 3.94Å; Y317-T365 HydrophobicContact CE2-CG2 4.25Å; V361-T365 WeakPolarHBondContact O-CB 3.44Å; V361-T365 PolarHBondContact O-N 2.78Å; V361-T365 PolarHBondContact O-OG1 2.83Å; I362-T365 PolarHBondContact O-N 2.71Å; K363-T365 VanDerWaalsContact C-N 3.34Å; T365-R367 VanDerWaalsContact C-N 3.29Å; T365-R367 PolarHBondContact O-N 3.43Å; T365-L368 PolarHBondContact O-N 2.83Å; T365-N369 CarbonylContact O-C 3.48Å; T365-N369 PolarHBondContact O-N 3.42Å |
| 366 | L | 97 | Very high | 95.6 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 4% | 0.042 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -71.2 | -21.7 | 178 | -65.2 | 177.2 | 0 | 0 | 0 | 113.2 | A310 I362 K363 E364 P370 P371 F434 P436 F437 | A310-L366 HydrophobicContact CB-CD2 3.93Å; I362-L366 HydrophobicContact CG2-CD1 3.99Å; I362-L366 HydrophobicContact CG2-CG 4.38Å; I362-L366 VanDerWaalsContact O-CG 3.3Å; I362-L366 WeakPolarHBondContact O-CG 3.36Å; I362-L366 PolarHBondContact O-N 3.33Å; K363-L366 CarbonylContact O-C 3.55Å; K363-L366 PolarHBondContact O-N 2.83Å; E364-L366 PolarHBondContact O-N 2.95Å; L366-P370 WeakPolarHBondContact O-CA 3.04Å; L366-P370 WeakPolarHBondContact O-CB 3.3Å; L366-P370 WeakPolarHBondContact O-CD 3.06Å; L366-P371 HydrophobicContact CD2-CG 4.08Å; L366-F434 HydrophobicContact CB-CZ 4.45Å; L366-P436 HydrophobicContact CB-CB 3.76Å; L366-P436 HydrophobicContact CB-CG 4.26Å; L366-P436 HydrophobicContact CD1-CB 4.29Å; L366-P436 HydrophobicContact CD1-CG 4.38Å; L366-F437 HydrophobicContact CD1-CE2 3.83Å; L366-F437 HydrophobicContact CD1-CZ 3.75Å |
| 367 | R | 95.4 | Very high | 95.6 | Very high | 8 Ų | 8 | 20.4 Ų | 20.4 | 3% | 0.03 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -68.8 | -51.9 | 173.3 | -171 | -169.4 | 62.6 | 80.6 | -3.3 | 110.1 | K363 E364 T365 H404 F410 K413 E415 F421 F434 | K363-R367 PolarHBondContact O-N 2.91Å; E364-R367 WeakPolarHBondContact O-CB 3.47Å; E364-R367 PolarHBondContact O-N 3.29Å; E364-R367 IonicContact OE1-CZ 3.5Å; E364-R367 IonicContact OE1-NE 3.42Å; E364-R367 PolarHBondContact OE1-NE 2.96Å; E364-R367 IonicContact OE1-NH2 2.71Å; E364-R367 PolarHBondContact OE1-NH2 2.79Å; E364-R367 WeakPolarHBondContact OE2-CD 3.46Å; E364-R367 IonicContact OE2-CZ 2.85Å; E364-R367 IonicContact OE2-NE 3.7Å; E364-R367 PolarHBondContact OE2-NE 3.11Å; E364-R367 IonicContact OE2-NH2 3.18Å; T365-R367 VanDerWaalsContact C-N 3.29Å; T365-R367 PolarHBondContact O-N 3.43Å; R367-H404 HydrophobicContact CG-CB 4.04Å; R367-H404 PolarHBondContact O-ND1 3.36Å; R367-F410 HydrophobicContact CG-CE2 4.17Å; R367-F410 HydrophobicContact CG-CZ 4.33Å; R367-K413 VanDerWaalsContact CZ-O 3.29Å; R367-K413 PolarHBondContact NH1-O 2.97Å; R367-K413 PolarHBondContact NH2-O 3.13Å; R367-E415 PolarHBondContact NH2-O 2.74Å; R367-F421 HydrophobicContact CB-CZ 4.42Å; R367-F434 HydrophobicContact CB-CD2 4.24Å; R367-F434 HydrophobicContact CB-CE2 3.8Å; R367-F434 HydrophobicContact CG-CD2 4.34Å; R367-F434 HydrophobicContact CG-CE2 4.39Å |
| 368 | L | 94.4 | Very high | 95.5 | Very high | 37 Ų | 37 | 20.4 Ų | 20.4 | 19% | 0.194 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -76 | -45.9 | -175.5 | -74.6 | 165.2 | 0 | 0 | 0 | 112.6 | Y317 E364 T365 P370 K413 F416 | Y317-L368 HydrophobicContact CE1-CD1 4.1Å; Y317-L368 HydrophobicContact CE2-CB 4.29Å; Y317-L368 WeakPolarHBondContact OH-CB 3.26Å; E364-L368 HydrophobicContact CG-CD1 4.26Å; E364-L368 PolarHBondContact O-N 3.17Å; E364-L368 VanDerWaalsContact O-N 3.09Å; T365-L368 PolarHBondContact O-N 2.83Å; L368-P370 VanDerWaalsContact C-CD 3.42Å; L368-P370 WeakPolarHBondContact O-CD 3.08Å; L368-K413 VanDerWaalsContact CD2-O 3.27Å; L368-K413 WeakPolarHBondContact CD2-O 3.25Å; L368-F416 HydrophobicContact CD1-CB 4.1Å; L368-F416 HydrophobicContact CD1-CD2 3.75Å; L368-F416 HydrophobicContact CD1-CG 4.44Å |
| 369 | N | 95.7 | Very high | 95.5 | Very high | 19 Ų | 19 | 20.6 Ų | 20.6 | 10% | 0.102 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -122.6 | 67.6 | -179.3 | -67.5 | -7.4 | 0 | 0 | 0 | 110.4 | S313 Y317 T365 P371 V482 | S313-N369 PolarHBondContact OG-ND2 3.47Å; Y317-N369 HydrophobicContact CE2-CB 4.37Å; Y317-N369 WeakPolarHBondContact CE2-ND2 3.47Å; Y317-N369 VanDerWaalsContact OH-CG 3.28Å; Y317-N369 PolarHBondContact OH-ND2 3.03Å; Y317-N369 VanDerWaalsContact OH-ND2 3.14Å; Y317-N369 PolarHBondContact OH-OD1 3.3Å; Y317-N369 VanDerWaalsContact OH-OD1 3.11Å; T365-N369 CarbonylContact O-C 3.48Å; T365-N369 PolarHBondContact O-N 3.42Å; N369-P371 WeakPolarHBondContact O-CD 3.44Å; N369-V482 HydrophobicContact CB-CG1 4.04Å |
| 370 | P | 95.5 | Very high | 95.5 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 2% | 0.019 | 13% | 0.127 | C | C | . | . | trans | -62.7 | 123.5 | 173.1 | 25.7 | -31.8 | 0 | 0 | 0 | 108.9 | L366 L368 V372 I400 C401 V482 | L366-P370 WeakPolarHBondContact O-CA 3.04Å; L366-P370 WeakPolarHBondContact O-CB 3.3Å; L366-P370 WeakPolarHBondContact O-CD 3.06Å; L368-P370 VanDerWaalsContact C-CD 3.42Å; L368-P370 WeakPolarHBondContact O-CD 3.08Å; P370-V372 PolarHBondContact O-N 3.23Å; P370-V372 VanDerWaalsContact O-N 3.12Å; P370-I400 HydrophobicContact CB-CG2 3.99Å; P370-I400 HydrophobicContact CG-CG2 4.23Å; P370-C401 HydrophobicContact CG-CB 3.83Å; P370-V482 WeakPolarHBondContact O-CG2 3.5Å | ||
| 371 | P | 95.9 | Very high | 95.5 | Very high | 10 Ų | 10 | 27.9 Ų | 27.9 | 7% | 0.065 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -53.9 | -38.4 | -176.8 | -31.5 | 37 | 0 | 0 | 0 | 113.1 | T306 A310 L366 N369 T481 V482 | T306-P371 HydrophobicContact CG2-CB 4.45Å; T306-P371 WeakPolarHBondContact O-CB 3.5Å; T306-P371 VanDerWaalsContact O-CG 3.24Å; T306-P371 WeakPolarHBondContact O-CG 3.27Å; A310-P371 HydrophobicContact CB-CG 3.87Å; L366-P371 HydrophobicContact CD2-CG 4.08Å; N369-P371 WeakPolarHBondContact O-CD 3.44Å; P371-T481 WeakPolarHBondContact O-CA 3.47Å; P371-V482 PolarHBondContact O-N 2.82Å |
| 372 | V | 93.5 | Very high | 95.5 | Very high | 61 Ų | 61 | 29.4 Ų | 29.4 | 37% | 0.37 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -106.2 | 114.9 | 173.5 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | T306 P370 G374 | T306-V372 HydrophobicContact CG2-CG2 3.9Å; P370-V372 PolarHBondContact O-N 3.23Å; P370-V372 VanDerWaalsContact O-N 3.12Å; V372-G374 VanDerWaalsContact C-N 3.26Å; V372-G374 VanDerWaalsContact CG1-O 3.28Å; V372-G374 WeakPolarHBondContact CG1-O 3.18Å; V372-G374 PolarHBondContact O-N 2.97Å |
| 373 | P | 90.4 | Very high | 95.5 | Very high | 38 Ų | 38 | 29.8 Ų | 29.8 | 25% | 0.247 | 16% | 0.157 | C | C | . | . | trans | -75.2 | -12.6 | -173.2 | 33.1 | -41 | 0 | 0 | 0 | 113.8 | S399 I400 C401 T478 | P373-S399 CarbonylContact O-C 3.44Å; P373-I400 PolarHBondContact O-N 3.13Å; P373-C401 PolarHBondContact O-N 2.69Å; P373-T478 HydrophobicContact CB-CG2 4.24Å; P373-T478 HydrophobicContact CG-CG2 3.67Å | ||
| 374 | G | 92.3 | Very high | 95.6 | Very high | 15 Ų | 15 | 31.3 Ų | 31.3 | 16% | 0.155 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.3 | -173.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V372 Y398 | V372-G374 VanDerWaalsContact C-N 3.26Å; V372-G374 VanDerWaalsContact CG1-O 3.28Å; V372-G374 WeakPolarHBondContact CG1-O 3.18Å; V372-G374 PolarHBondContact O-N 2.97Å; G374-Y398 VanDerWaalsContact CA-O 3.22Å; G374-Y398 WeakPolarHBondContact CA-O 3.38Å |
| 375 | G | 91.9 | Very high | 95.6 | Very high | 8 Ų | 8 | 31.6 Ų | 31.6 | 8% | 0.082 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 153.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I397 Y398 | G375-I397 WeakPolarHBondContact O-CA 3.14Å; G375-Y398 VanDerWaalsContact CA-CE1 3.42Å; G375-Y398 PolarHBondContact N-O 3.3Å; G375-Y398 VanDerWaalsContact N-O 3.15Å; G375-Y398 VanDerWaalsContact O-CD1 3.28Å; G375-Y398 WeakPolarHBondContact O-CD1 3.45Å; G375-Y398 WeakPolarHBondContact O-CE1 3.49Å; G375-Y398 PolarHBondContact O-N 2.83Å |
| 376 | F | 91.9 | Very high | 95.5 | Very high | 71 Ų | 71 | 35.7 Ų | 35.7 | 31% | 0.311 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 136.7 | 178.2 | -57.9 | -86.5 | 0 | 0 | 0 | 111 | F84 I397 | F84-F376 HydrophobicContact CE2-CE1 4.21Å; F376-I397 HydrophobicContact CD1-CD1 3.8Å; F376-I397 HydrophobicContact CD1-CG1 3.76Å; F376-I397 HydrophobicContact CE1-CD1 3.61Å; F376-I397 HydrophobicContact CE1-CG1 4.07Å |
| 377 | R | 95.5 | Very high | 95.4 | Very high | 13 Ų | 13 | 36.9 Ų | 36.9 | 5% | 0.049 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 161.5 | 176.9 | -66.7 | -62 | 178.6 | -83.1 | 3.5 | 109.9 | I100 E104 V108 A109 N395 V396 Y398 | I100-R377 HydrophobicContact CG2-CG 4.22Å; E104-R377 WeakPolarHBondContact OE2-CD 3.32Å; E104-R377 IonicContact OE2-CZ 3.32Å; E104-R377 IonicContact OE2-NE 2.87Å; E104-R377 PolarHBondContact OE2-NE 3.46Å; E104-R377 IonicContact OE2-NH2 2.91Å; V108-R377 HydrophobicContact CB-CB 4.04Å; V108-R377 HydrophobicContact CB-CG 4.35Å; V108-R377 HydrophobicContact CG1-CB 4.42Å; V108-R377 HydrophobicContact CG2-CB 4.41Å; V108-R377 HydrophobicContact CG2-CG 4.17Å; A109-R377 VanDerWaalsContact C-CD 3.45Å; A109-R377 CarbonylContact O-C 3.47Å; A109-R377 WeakPolarHBondContact O-CA 3.31Å; A109-R377 WeakPolarHBondContact O-CD 3.4Å; R377-N395 CarbonylContact O-C 3.59Å; R377-N395 WeakPolarHBondContact O-CA 3.45Å; R377-V396 WeakPolarHBondContact CA-O 3.45Å; R377-V396 HydrophobicContact CB-CB 4.04Å; R377-V396 WeakPolarHBondContact CB-O 3.35Å; R377-V396 PolarHBondContact N-O 2.65Å; R377-V396 PolarHBondContact O-N 3.02Å; R377-Y398 HydrophobicContact CG-CD1 4.32Å; R377-Y398 HydrophobicContact CG-CE1 4.43Å |
| 378 | V | 96.6 | Very high | 95.5 | Very high | 23 Ų | 23 | 39.6 Ų | 39.6 | 14% | 0.139 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 138.1 | 166.8 | 64.8 | 0 | 0 | 0 | 0 | 109.5 | V108 A109 Q111 L380 W394 | V108-V378 CarbonylContact C-O 3.59Å; V108-V378 WeakPolarHBondContact CA-O 3.47Å; A109-V378 HydrophobicContact CB-CG1 4.41Å; A109-V378 PolarHBondContact N-O 2.94Å; A109-V378 PolarHBondContact O-N 2.84Å; Q111-V378 HydrophobicContact CB-CB 4.33Å; Q111-V378 HydrophobicContact CB-CG1 4.13Å; V378-L380 PolarHBondContact O-N 3.26Å; V378-W394 WeakPolarHBondContact CA-O 3.35Å |
| 379 | A | 97.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 3% | 0.025 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 121.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | F383 I390 P391 G393 W394 | A379-F383 HydrophobicContact CB-CE1 4.01Å; A379-I390 HydrophobicContact CB-CG2 4.11Å; A379-P391 VanDerWaalsContact CB-O 3.31Å; A379-P391 WeakPolarHBondContact CB-O 3.39Å; A379-G393 PolarHBondContact O-N 3.02Å; A379-W394 PolarHBondContact N-O 3.34Å |
| 380 | L | 97.2 | Very high | 95.8 | Very high | 70 Ų | 70 | 37 Ų | 37 | 37% | 0.366 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -79.8 | -25.6 | -179.8 | -63 | 177.3 | 0 | 0 | 0 | 112.4 | L107 A109 V378 K392 | L107-L380 PolarHBondContact O-N 3.02Å; A109-L380 HydrophobicContact CB-CD1 4.15Å; A109-L380 HydrophobicContact CB-CD2 3.86Å; A109-L380 HydrophobicContact CB-CG 4.2Å; V378-L380 PolarHBondContact O-N 3.26Å; L380-K392 WeakPolarHBondContact O-CD 3.42Å; L380-K392 WeakPolarHBondContact O-CE 3.31Å; L380-K392 WeakPolarHBondContact O-CG 3.39Å |
| 381 | K | 97.2 | Very high | 95.9 | Very high | 103 Ų | 103 | 36.9 Ų | 36.9 | 45% | 0.448 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -148.6 | 166 | 175.4 | 60.2 | 177.6 | 178.6 | 176.9 | 0 | 109.6 | R106 F383 | R106-K381 WeakPolarHBondContact O-CE 3.32Å; K381-F383 WeakPolarHBondContact O-CD1 3.32Å |
| 382 | T | 98.1 | Very high | 95.9 | Very high | 33 Ų | 33 | 43.3 Ų | 43.3 | 20% | 0.202 | 23% | 0.226 | C | C | . | . | trans | -68.5 | 132.8 | 168.6 | -54 | 0 | 0 | 0 | 0 | 109.5 | D37 C40 Q389 I390 K392 | D37-T382 HydrophobicContact CB-CG2 3.67Å; D37-T382 WeakPolarHBondContact CB-OG1 3.34Å; D37-T382 WeakPolarHBondContact OD2-CB 3.33Å; D37-T382 WeakPolarHBondContact OD2-CG2 3.4Å; D37-T382 PolarHBondContact OD2-OG1 2.87Å; C40-T382 HydrophobicContact CB-CG2 4.22Å; T382-Q389 HydrophobicContact CG2-CB 4.14Å; T382-I390 VanDerWaalsContact CA-O 3.23Å; T382-I390 WeakPolarHBondContact CA-O 3.48Å; T382-K392 PolarHBondContact OG1-N 3.37Å | ||
| 383 | F | 98.1 | Very high | 96 | Very high | 14 Ų | 14 | 42.6 Ų | 42.6 | 6% | 0.061 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 158.8 | 175.2 | 64.4 | -88.1 | 0 | 0 | 0 | 111.9 | I100 L107 V108 A379 K381 L385 I390 | I100-F383 HydrophobicContact CD1-CE2 3.93Å; I100-F383 HydrophobicContact CD1-CZ 3.73Å; L107-F383 HydrophobicContact CB-CD1 4.1Å; L107-F383 HydrophobicContact CB-CE1 4.11Å; L107-F383 HydrophobicContact CB-CG 4.43Å; L107-F383 HydrophobicContact CB-CZ 4.43Å; L107-F383 HydrophobicContact CD1-CD2 4.29Å; L107-F383 HydrophobicContact CD2-CB 4.05Å; L107-F383 HydrophobicContact CD2-CD1 4.42Å; L107-F383 HydrophobicContact CD2-CG 4.17Å; V108-F383 HydrophobicContact CG1-CE1 3.98Å; V108-F383 HydrophobicContact CG1-CZ 3.98Å; A379-F383 HydrophobicContact CB-CE1 4.01Å; K381-F383 WeakPolarHBondContact O-CD1 3.32Å; F383-L385 HydrophobicContact CD2-CB 4.36Å; F383-L385 HydrophobicContact CE2-CB 4.04Å; F383-L385 HydrophobicContact CE2-CD2 4.43Å; F383-I390 HydrophobicContact CD1-CB 4.19Å; F383-I390 HydrophobicContact CD2-CB 4.35Å; F383-I390 HydrophobicContact CD2-CG1 4.17Å; F383-I390 HydrophobicContact CE1-CB 3.83Å; F383-I390 HydrophobicContact CE1-CG1 4.41Å; F383-I390 HydrophobicContact CE1-CG2 3.87Å; F383-I390 HydrophobicContact CE2-CB 4.01Å; F383-I390 HydrophobicContact CE2-CG1 3.68Å; F383-I390 HydrophobicContact CG-CB 4.43Å; F383-I390 HydrophobicContact CZ-CB 3.73Å; F383-I390 HydrophobicContact CZ-CG1 3.82Å; F383-I390 HydrophobicContact CZ-CG2 3.8Å; F383-I390 PolarHBondContact N-O 3.41Å; F383-I390 VanDerWaalsContact N-O 3.16Å; F383-I390 PolarHBondContact O-N 2.67Å |
| 384 | E | 97.4 | Very high | 96.3 | Very high | 119 Ų | 119 | 41 Ų | 41 | 56% | 0.556 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 134.3 | 173.3 | 177.5 | 176.7 | 168.5 | 0 | 0 | 111.6 | L42 Y388 | L42-E384 HydrophobicContact CD1-CB 3.66Å; L42-E384 HydrophobicContact CD1-CG 3.45Å; L42-E384 VanDerWaalsContact CD1-CG 3.45Å; E384-Y388 CarbonylContact C-O 3.54Å; E384-Y388 WeakPolarHBondContact CA-O 3.5Å |
| 385 | L | 97.4 | Very high | 96.5 | Very high | 7 Ų | 7 | 41.3 Ų | 41.3 | 4% | 0.037 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 122.1 | 168.9 | -171 | 67.9 | 0 | 0 | 0 | 109.7 | I78 V91 N96 R99 I100 F383 G387 Y388 I390 | I78-L385 HydrophobicContact CD1-CB 4.2Å; I78-L385 HydrophobicContact CD1-CD2 3.84Å; I78-L385 HydrophobicContact CD1-CG 4.01Å; V91-L385 HydrophobicContact CG1-CD2 3.96Å; V91-L385 HydrophobicContact CG2-CD2 3.91Å; N96-L385 HydrophobicContact CB-CD1 4.44Å; R99-L385 HydrophobicContact CB-CD1 3.82Å; R99-L385 HydrophobicContact CG-CD1 3.73Å; I100-L385 HydrophobicContact CD1-CD2 3.88Å; I100-L385 HydrophobicContact CG1-CD2 4.11Å; F383-L385 HydrophobicContact CD2-CB 4.36Å; F383-L385 HydrophobicContact CE2-CB 4.04Å; F383-L385 HydrophobicContact CE2-CD2 4.43Å; L385-G387 VanDerWaalsContact C-N 3.28Å; L385-G387 PolarHBondContact O-N 3.39Å; L385-Y388 PolarHBondContact N-O 2.87Å; L385-Y388 PolarHBondContact O-N 3.48Å; L385-I390 HydrophobicContact CB-CD1 4.05Å; L385-I390 HydrophobicContact CB-CG1 3.72Å; L385-I390 HydrophobicContact CD2-CD1 4.43Å; L385-I390 HydrophobicContact CD2-CG1 4.32Å |
| 386 | N | 95.3 | Very high | 96.7 | Very high | 86 Ų | 86 | 41 Ų | 41 | 46% | 0.46 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 41.4 | 178.2 | -159.5 | 34.8 | 0 | 0 | 0 | 113.7 | I78 Y388 | I78-N386 HydrophobicContact CD1-CB 4.34Å; I78-N386 HydrophobicContact CG2-CB 4.15Å; I78-N386 WeakPolarHBondContact CG2-ND2 3.44Å; N386-Y388 VanDerWaalsContact C-N 3.29Å; N386-Y388 WeakPolarHBondContact O-CD2 3.36Å; N386-Y388 VanDerWaalsContact O-CE2 3.3Å; N386-Y388 WeakPolarHBondContact O-CE2 3.41Å; N386-Y388 PolarHBondContact O-N 3.33Å |
| 387 | G | 96.4 | Very high | 96.9 | Very high | 34 Ų | 34 | 38 Ų | 38 | 35% | 0.351 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 7.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L385 | L385-G387 VanDerWaalsContact C-N 3.28Å; L385-G387 PolarHBondContact O-N 3.39Å |
| 388 | Y | 97.8 | Very high | 96.9 | Very high | 65 Ų | 65 | 38.2 Ų | 38.2 | 26% | 0.255 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 152.8 | 178.3 | -58.9 | -76.1 | 0 | 0 | 0 | 111.9 | P43 L44 P45 I78 E384 L385 N386 | P43-Y388 HydrophobicContact CG-CD1 3.92Å; P43-Y388 HydrophobicContact CG-CE1 4.14Å; P43-Y388 WeakPolarHBondContact O-CA 3.32Å; L44-Y388 WeakPolarHBondContact O-CD1 3.38Å; P45-Y388 HydrophobicContact CB-CG 4.28Å; P45-Y388 HydrophobicContact CG-CG 4.15Å; I78-Y388 HydrophobicContact CD1-CD2 4.4Å; I78-Y388 HydrophobicContact CG2-CD2 3.62Å; I78-Y388 HydrophobicContact CG2-CE2 3.62Å; E384-Y388 CarbonylContact C-O 3.54Å; E384-Y388 WeakPolarHBondContact CA-O 3.5Å; L385-Y388 PolarHBondContact N-O 2.87Å; L385-Y388 PolarHBondContact O-N 3.48Å; N386-Y388 VanDerWaalsContact C-N 3.29Å; N386-Y388 WeakPolarHBondContact O-CD2 3.36Å; N386-Y388 VanDerWaalsContact O-CE2 3.3Å; N386-Y388 WeakPolarHBondContact O-CE2 3.41Å; N386-Y388 PolarHBondContact O-N 3.33Å |
| 389 | Q | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 134.5 | 166.9 | 64.9 | 168.7 | -88.4 | 0 | 0 | 111 | R36 D37 C40 L42 P43 L44 P45 T382 P391 | R36-Q389 VanDerWaalsContact CG-CD 3.44Å; D37-Q389 PolarHBondContact O-NE2 3.19Å; D37-Q389 PolarHBondContact O-OE1 2.7Å; C40-Q389 HydrophobicContact CB-CB 4.33Å; C40-Q389 PolarHBondContact O-NE2 2.95Å; L42-Q389 HydrophobicContact CB-CB 4.21Å; L42-Q389 WeakPolarHBondContact O-CG 3.31Å; L42-Q389 PolarHBondContact O-NE2 2.93Å; P43-Q389 PolarHBondContact O-N 3.28Å; L44-Q389 HydrophobicContact CD2-CG 4.1Å; P45-Q389 WeakPolarHBondContact CD-O 3.43Å; T382-Q389 HydrophobicContact CG2-CB 4.14Å; Q389-P391 WeakPolarHBondContact O-CD 3.46Å |
| 390 | I | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 103 | 165.5 | -48.3 | -49.2 | 0 | 0 | 0 | 106.8 | P45 I78 V89 A379 T382 F383 L385 V396 | P45-I390 HydrophobicContact CG-CD1 4Å; I78-I390 HydrophobicContact CD1-CD1 3.95Å; V89-I390 HydrophobicContact CG1-CD1 3.99Å; V89-I390 HydrophobicContact CG2-CD1 4.2Å; V89-I390 HydrophobicContact CG2-CG2 4.3Å; A379-I390 HydrophobicContact CB-CG2 4.11Å; T382-I390 VanDerWaalsContact CA-O 3.23Å; T382-I390 WeakPolarHBondContact CA-O 3.48Å; F383-I390 HydrophobicContact CD1-CB 4.19Å; F383-I390 HydrophobicContact CD2-CB 4.35Å; F383-I390 HydrophobicContact CD2-CG1 4.17Å; F383-I390 HydrophobicContact CE1-CB 3.83Å; F383-I390 HydrophobicContact CE1-CG1 4.41Å; F383-I390 HydrophobicContact CE1-CG2 3.87Å; F383-I390 HydrophobicContact CE2-CB 4.01Å; F383-I390 HydrophobicContact CE2-CG1 3.68Å; F383-I390 HydrophobicContact CG-CB 4.43Å; F383-I390 HydrophobicContact CZ-CB 3.73Å; F383-I390 HydrophobicContact CZ-CG1 3.82Å; F383-I390 HydrophobicContact CZ-CG2 3.8Å; F383-I390 PolarHBondContact N-O 3.41Å; F383-I390 VanDerWaalsContact N-O 3.16Å; F383-I390 PolarHBondContact O-N 2.67Å; L385-I390 HydrophobicContact CB-CD1 4.05Å; L385-I390 HydrophobicContact CB-CG1 3.72Å; L385-I390 HydrophobicContact CD2-CD1 4.43Å; L385-I390 HydrophobicContact CD2-CG1 4.32Å; I390-V396 HydrophobicContact CG2-CG2 3.73Å |
| 391 | P | 97.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | trans | -68.2 | 148.7 | -173.5 | -17.6 | 30.5 | 0 | 0 | 0 | 112.5 | S35 L44 A379 Q389 G393 W394 | S35-P391 WeakPolarHBondContact O-CB 3.36Å; L44-P391 HydrophobicContact CD2-CG 3.43Å; L44-P391 VanDerWaalsContact CD2-CG 3.43Å; A379-P391 VanDerWaalsContact CB-O 3.31Å; A379-P391 WeakPolarHBondContact CB-O 3.39Å; Q389-P391 WeakPolarHBondContact O-CD 3.46Å; P391-G393 PolarHBondContact O-N 3.33Å; P391-W394 HydrophobicContact CB-CD2 4.5Å; P391-W394 HydrophobicContact CB-CG 4.16Å; P391-W394 HydrophobicContact CG-CD2 4.07Å; P391-W394 HydrophobicContact CG-CG 4.21Å; P391-W394 HydrophobicContact CG-CZ2 4.22Å; P391-W394 WeakPolarHBondContact O-CB 3.46Å; P391-W394 PolarHBondContact O-N 3.15Å | ||
| 392 | K | 96.8 | Very high | 96.3 | Very high | 146 Ų | 146 | 31.4 Ų | 31.4 | 64% | 0.635 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 137.8 | 171.6 | -178.6 | 174.5 | 178.2 | -177.9 | 0 | 111.2 | L380 T382 W394 | L380-K392 WeakPolarHBondContact O-CD 3.42Å; L380-K392 WeakPolarHBondContact O-CE 3.31Å; L380-K392 WeakPolarHBondContact O-CG 3.39Å; T382-K392 PolarHBondContact OG1-N 3.37Å; K392-W394 VanDerWaalsContact C-N 3.25Å; K392-W394 PolarHBondContact O-N 3.13Å |
| 393 | G | 95.4 | Very high | 96.1 | Very high | 45 Ų | 45 | 29.9 Ų | 29.9 | 46% | 0.464 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | -9.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | A379 P391 | A379-G393 PolarHBondContact O-N 3.02Å; P391-G393 PolarHBondContact O-N 3.33Å |
| 394 | W | 96.2 | Very high | 95.8 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 2% | 0.019 | 16% | 0.161 | C | C | . | . | trans | -70.6 | 144.1 | 173.9 | -77.7 | 43.4 | 0 | 0 | 0 | 111.1 | S35 L44 M49 K80 P87 V89 V378 A379 P391 K392 | S35-W394 WeakPolarHBondContact OG-CZ2 3.2Å; S35-W394 PolarHBondContact OG-NE1 2.89Å; L44-W394 HydrophobicContact CD1-CH2 4.06Å; L44-W394 HydrophobicContact CD1-CZ2 4.32Å; L44-W394 HydrophobicContact CD2-CH2 3.97Å; L44-W394 HydrophobicContact CD2-CZ2 4.08Å; M49-W394 HydrophobicContact CE-CH2 3.45Å; M49-W394 VanDerWaalsContact CE-CH2 3.45Å; M49-W394 HydrophobicContact CE-CZ2 4.02Å; M49-W394 HydrophobicContact CE-CZ3 3.94Å; M49-W394 HydrophobicContact SD-CH2 4.5Å; K80-W394 HydrophobicContact CB-CZ3 3.87Å; K80-W394 HydrophobicContact CD-CH2 4.4Å; P87-W394 HydrophobicContact CB-CD2 3.51Å; P87-W394 HydrophobicContact CB-CE3 3.78Å; P87-W394 HydrophobicContact CB-CG 3.98Å; P87-W394 HydrophobicContact CB-CH2 4.18Å; P87-W394 HydrophobicContact CB-CZ2 3.9Å; P87-W394 HydrophobicContact CB-CZ3 4.12Å; V89-W394 HydrophobicContact CG2-CE3 3.66Å; V89-W394 HydrophobicContact CG2-CZ3 4.16Å; V378-W394 WeakPolarHBondContact CA-O 3.35Å; A379-W394 PolarHBondContact N-O 3.34Å; P391-W394 HydrophobicContact CB-CD2 4.5Å; P391-W394 HydrophobicContact CB-CG 4.16Å; P391-W394 HydrophobicContact CG-CD2 4.07Å; P391-W394 HydrophobicContact CG-CG 4.21Å; P391-W394 HydrophobicContact CG-CZ2 4.22Å; P391-W394 WeakPolarHBondContact O-CB 3.46Å; P391-W394 PolarHBondContact O-N 3.15Å; K392-W394 VanDerWaalsContact C-N 3.25Å; K392-W394 PolarHBondContact O-N 3.13Å | ||
| 395 | N | 95.9 | Very high | 95.5 | Very high | 21 Ų | 21 | 25.2 Ų | 25.2 | 11% | 0.112 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 143.6 | 169 | -74.8 | -2.6 | 0 | 0 | 0 | 109.3 | R86 P87 T88 V89 R377 | R86-N395 WeakPolarHBondContact CB-ND2 3.41Å; R86-N395 WeakPolarHBondContact CD-OD1 3.26Å; P87-N395 PolarHBondContact O-N 3.35Å; T88-N395 CarbonylContact C-O 3.59Å; T88-N395 VanDerWaalsContact CA-O 3.31Å; T88-N395 WeakPolarHBondContact CA-O 3.19Å; T88-N395 HydrophobicContact CG2-CB 4.09Å; T88-N395 WeakPolarHBondContact OG1-CB 3.23Å; V89-N395 PolarHBondContact N-O 3.02Å; R377-N395 CarbonylContact O-C 3.59Å; R377-N395 WeakPolarHBondContact O-CA 3.45Å |
| 396 | V | 97.4 | Very high | 95 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 122.5 | 172.2 | -179.9 | 0 | 0 | 0 | 0 | 107.6 | V89 V91 I100 V108 R377 I390 | V89-V396 CarbonylContact O-C 3.49Å; V89-V396 WeakPolarHBondContact O-CA 3.12Å; V91-V396 HydrophobicContact CG2-CG1 3.74Å; I100-V396 HydrophobicContact CD1-CG1 3.89Å; I100-V396 HydrophobicContact CG1-CG1 4.2Å; I100-V396 HydrophobicContact CG2-CG1 4.37Å; V108-V396 HydrophobicContact CG1-CG2 4.48Å; R377-V396 WeakPolarHBondContact CA-O 3.45Å; R377-V396 HydrophobicContact CB-CB 4.04Å; R377-V396 WeakPolarHBondContact CB-O 3.35Å; R377-V396 PolarHBondContact N-O 2.65Å; R377-V396 PolarHBondContact O-N 3.02Å; I390-V396 HydrophobicContact CG2-CG2 3.73Å |
| 397 | I | 95.9 | Very high | 94.7 | Very high | 9 Ų | 9 | 22.4 Ų | 22.4 | 5% | 0.046 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 101.8 | 176.3 | -53.5 | 177.5 | 0 | 0 | 0 | 108.1 | L83 T88 V89 R90 V91 G375 F376 | L83-I397 HydrophobicContact CD1-CD1 4.17Å; T88-I397 HydrophobicContact CG2-CB 4.49Å; T88-I397 HydrophobicContact CG2-CD1 3.59Å; T88-I397 HydrophobicContact CG2-CG1 3.69Å; V89-I397 PolarHBondContact O-N 3.08Å; R90-I397 WeakPolarHBondContact CA-O 2.98Å; V91-I397 PolarHBondContact N-O 2.79Å; G375-I397 WeakPolarHBondContact O-CA 3.14Å; F376-I397 HydrophobicContact CD1-CD1 3.8Å; F376-I397 HydrophobicContact CD1-CG1 3.76Å; F376-I397 HydrophobicContact CE1-CD1 3.61Å; F376-I397 HydrophobicContact CE1-CG1 4.07Å |
| 398 | Y | 96.2 | Very high | 94.1 | Very high | 18 Ų | 18 | 28 Ų | 28 | 7% | 0.071 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 146.8 | 171.4 | 74.5 | -88.1 | 0 | 0 | 0 | 110.1 | V91 V97 I100 L101 G374 G375 R377 I400 | V91-Y398 CarbonylContact O-C 3.28Å; V91-Y398 VanDerWaalsContact O-CA 3.24Å; V91-Y398 WeakPolarHBondContact O-CA 3.32Å; V97-Y398 HydrophobicContact CG1-CD2 3.8Å; V97-Y398 HydrophobicContact CG1-CG 4.32Å; I100-Y398 HydrophobicContact CG2-CD1 4.12Å; I100-Y398 HydrophobicContact CG2-CG 4.48Å; L101-Y398 HydrophobicContact CD1-CE2 4.38Å; L101-Y398 HydrophobicContact CD2-CD1 4.22Å; L101-Y398 HydrophobicContact CD2-CD2 4.33Å; L101-Y398 HydrophobicContact CD2-CE1 3.73Å; L101-Y398 HydrophobicContact CD2-CE2 3.85Å; L101-Y398 HydrophobicContact CD2-CG 4.5Å; L101-Y398 HydrophobicContact CG-CE2 4.46Å; G374-Y398 VanDerWaalsContact CA-O 3.22Å; G374-Y398 WeakPolarHBondContact CA-O 3.38Å; G375-Y398 VanDerWaalsContact CA-CE1 3.42Å; G375-Y398 PolarHBondContact N-O 3.3Å; G375-Y398 VanDerWaalsContact N-O 3.15Å; G375-Y398 VanDerWaalsContact O-CD1 3.28Å; G375-Y398 WeakPolarHBondContact O-CD1 3.45Å; G375-Y398 WeakPolarHBondContact O-CE1 3.49Å; G375-Y398 PolarHBondContact O-N 2.83Å; R377-Y398 HydrophobicContact CG-CD1 4.32Å; R377-Y398 HydrophobicContact CG-CE1 4.43Å; Y398-I400 HydrophobicContact CD2-CG1 4.31Å; Y398-I400 HydrophobicContact CE2-CD1 4.11Å; Y398-I400 HydrophobicContact CE2-CG1 3.84Å |
| 399 | S | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 118.6 | -177.8 | -170.6 | 0 | 0 | 0 | 0 | 110.5 | V91 P373 C401 D402 T403 | V91-S399 PolarHBondContact O-N 3.18Å; P373-S399 CarbonylContact O-C 3.44Å; S399-C401 PolarHBondContact OG-SG 3.28Å; S399-C401 VanDerWaalsContact OG-SG 3.41Å; S399-D402 VanDerWaalsContact CB-OD2 3.29Å; S399-D402 WeakPolarHBondContact CB-OD2 3.46Å; S399-D402 VanDerWaalsContact OG-CB 3.31Å; S399-D402 WeakPolarHBondContact OG-CB 3.44Å; S399-D402 VanDerWaalsContact OG-CG 3.23Å; S399-D402 PolarHBondContact OG-N 3.46Å; S399-D402 PolarHBondContact OG-OD2 2.77Å; S399-T403 VanDerWaalsContact O-CB 3.22Å; S399-T403 WeakPolarHBondContact O-CB 3.07Å; S399-T403 PolarHBondContact O-N 3.07Å; S399-T403 PolarHBondContact O-OG1 2.94Å |
| 400 | I | 95 | Very high | 92.6 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -73.9 | -49.8 | 173 | -69.1 | 169.9 | 0 | 0 | 0 | 109 | P370 P373 Y398 D402 T403 H404 I435 | P370-I400 HydrophobicContact CB-CG2 3.99Å; P370-I400 HydrophobicContact CG-CG2 4.23Å; P373-I400 PolarHBondContact O-N 3.13Å; Y398-I400 HydrophobicContact CD2-CG1 4.31Å; Y398-I400 HydrophobicContact CE2-CD1 4.11Å; Y398-I400 HydrophobicContact CE2-CG1 3.84Å; I400-D402 PolarHBondContact O-N 2.79Å; I400-T403 PolarHBondContact O-N 3.15Å; I400-T403 VanDerWaalsContact O-N 3.11Å; I400-H404 WeakPolarHBondContact CG2-CE1 3.03Å; I400-H404 PolarHBondContact O-CD2 3.37Å; I400-H404 PolarHBondContact O-N 3.01Å; I400-I435 HydrophobicContact CG1-CD1 4.19Å; I400-I435 HydrophobicContact CG1-CG1 4.38Å; I400-I435 HydrophobicContact CG2-CG1 4.39Å |
| 401 | C | 92.1 | Very high | 91.9 | Very high | 41 Ų | 41 | 33.2 Ų | 33.2 | 28% | 0.277 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.2 | -44.5 | -177.5 | 58.5 | 0 | 0 | 0 | 0 | 112.1 | P370 P373 S399 T403 H404 D405 | P370-C401 HydrophobicContact CG-CB 3.83Å; P373-C401 PolarHBondContact O-N 2.69Å; S399-C401 PolarHBondContact OG-SG 3.28Å; S399-C401 VanDerWaalsContact OG-SG 3.41Å; C401-T403 VanDerWaalsContact C-N 3.3Å; C401-T403 PolarHBondContact O-N 3.1Å; C401-H404 PolarHBondContact O-N 3.15Å; C401-D405 VanDerWaalsContact O-CB 3.31Å; C401-D405 WeakPolarHBondContact O-CB 3.42Å; C401-D405 PolarHBondContact O-N 3.11Å |
| 402 | D | 92.8 | Very high | 91.3 | Very high | 11 Ų | 11 | 36.7 Ų | 36.7 | 6% | 0.059 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.6 | -31.9 | 176.2 | -63.9 | -58.3 | 0 | 0 | 0 | 111.7 | R72 M92 S399 I400 D405 V406 | R72-D402 IonicContact CZ-OD1 2.77Å; R72-D402 IonicContact NH1-OD1 2.8Å; R72-D402 PolarHBondContact NH1-OD1 2.99Å; M92-D402 HydrophobicContact CB-CB 3.86Å; M92-D402 HydrophobicContact CE-CB 4.21Å; M92-D402 HydrophobicContact CG-CB 4.32Å; M92-D402 HydrophobicContact SD-CB 3.67Å; S399-D402 VanDerWaalsContact CB-OD2 3.29Å; S399-D402 WeakPolarHBondContact CB-OD2 3.46Å; S399-D402 VanDerWaalsContact OG-CB 3.31Å; S399-D402 WeakPolarHBondContact OG-CB 3.44Å; S399-D402 VanDerWaalsContact OG-CG 3.23Å; S399-D402 PolarHBondContact OG-N 3.46Å; S399-D402 PolarHBondContact OG-OD2 2.77Å; I400-D402 PolarHBondContact O-N 2.79Å; D402-D405 PolarHBondContact O-N 2.71Å; D402-V406 WeakPolarHBondContact O-CG1 3.48Å; D402-V406 VanDerWaalsContact O-CG2 3.25Å; D402-V406 WeakPolarHBondContact O-CG2 3.32Å; D402-V406 PolarHBondContact O-N 3.02Å |
| 403 | T | 94 | Very high | 90.7 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.3 | -42.8 | 177.1 | -64.5 | 0 | 0 | 0 | 0 | 111.5 | G93 V97 S399 I400 C401 D405 V406 A407 I435 | G93-T403 PolarHBondContact N-OG1 3.34Å; V97-T403 VanDerWaalsContact CG2-OG1 3.29Å; V97-T403 WeakPolarHBondContact CG2-OG1 3.45Å; S399-T403 VanDerWaalsContact O-CB 3.22Å; S399-T403 WeakPolarHBondContact O-CB 3.07Å; S399-T403 PolarHBondContact O-N 3.07Å; S399-T403 PolarHBondContact O-OG1 2.94Å; I400-T403 PolarHBondContact O-N 3.15Å; I400-T403 VanDerWaalsContact O-N 3.11Å; C401-T403 VanDerWaalsContact C-N 3.3Å; C401-T403 PolarHBondContact O-N 3.1Å; T403-D405 VanDerWaalsContact C-N 3.32Å; T403-V406 PolarHBondContact O-N 3.41Å; T403-A407 WeakPolarHBondContact O-CB 3.25Å; T403-A407 PolarHBondContact O-N 2.92Å; T403-A407 VanDerWaalsContact O-N 3.15Å; T403-I435 HydrophobicContact CG2-CD1 4.45Å |
| 404 | H | 92.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.4 | -41.1 | 172.5 | -63.1 | 175 | 0 | 0 | 0 | 111.4 | R367 I400 C401 F410 T433 I435 | R367-H404 HydrophobicContact CG-CB 4.04Å; R367-H404 PolarHBondContact O-ND1 3.36Å; I400-H404 WeakPolarHBondContact CG2-CE1 3.03Å; I400-H404 PolarHBondContact O-CD2 3.37Å; I400-H404 PolarHBondContact O-N 3.01Å; C401-H404 PolarHBondContact O-N 3.15Å; H404-F410 WeakPolarHBondContact O-CD2 3.4Å; H404-T433 PolarHBondContact CD2-O 3.23Å; H404-I435 PolarHBondContact NE2-N 3Å |
| 405 | D | 89.5 | Confident | 90.2 | Very high | 34 Ų | 34 | 42 Ų | 42 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.7 | -33 | -178.6 | -169.8 | 38.8 | 0 | 0 | 0 | 112.8 | R72 C401 D402 T403 K413 | R72-D405 IonicContact CZ-OD2 3.81Å; R72-D405 IonicContact NH1-OD2 3.6Å; R72-D405 PolarHBondContact NH1-OD2 2.96Å; R72-D405 IonicContact NH2-OD2 3.02Å; R72-D405 PolarHBondContact NH2-OD2 3.26Å; C401-D405 VanDerWaalsContact O-CB 3.31Å; C401-D405 WeakPolarHBondContact O-CB 3.42Å; C401-D405 PolarHBondContact O-N 3.11Å; D402-D405 PolarHBondContact O-N 2.71Å; T403-D405 VanDerWaalsContact C-N 3.32Å; D405-K413 WeakPolarHBondContact O-CD 3.46Å; D405-K413 WeakPolarHBondContact O-CE 3.26Å; D405-K413 PolarHBondContact O-NZ 3.07Å |
| 406 | V | 88.8 | Confident | 90.3 | Very high | 24 Ų | 24 | 41.3 Ų | 41.3 | 15% | 0.145 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -91.8 | -6.1 | 178.7 | -56.1 | 0 | 0 | 0 | 0 | 113.8 | F77 D402 T403 D408 | F77-V406 HydrophobicContact CD1-CB 4.37Å; F77-V406 HydrophobicContact CD1-CG1 4.33Å; F77-V406 HydrophobicContact CD1-CG2 4.08Å; F77-V406 HydrophobicContact CE1-CB 3.62Å; F77-V406 HydrophobicContact CE1-CG1 3.79Å; F77-V406 HydrophobicContact CE1-CG2 3.7Å; F77-V406 HydrophobicContact CZ-CB 4.4Å; D402-V406 WeakPolarHBondContact O-CG1 3.48Å; D402-V406 VanDerWaalsContact O-CG2 3.25Å; D402-V406 WeakPolarHBondContact O-CG2 3.32Å; D402-V406 PolarHBondContact O-N 3.02Å; T403-V406 PolarHBondContact O-N 3.41Å; V406-D408 PolarHBondContact O-N 3.33Å |
| 407 | A | 88.9 | Confident | 90.1 | Very high | 9 Ų | 9 | 43.5 Ų | 43.5 | 7% | 0.074 | 23% | 0.234 | C | C | . | . | trans | -65.5 | 131.5 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | T403 N409 F410 K413 T433 | T403-A407 WeakPolarHBondContact O-CB 3.25Å; T403-A407 PolarHBondContact O-N 2.92Å; T403-A407 VanDerWaalsContact O-N 3.15Å; A407-N409 VanDerWaalsContact C-N 3.31Å; A407-N409 WeakPolarHBondContact CB-OD1 3.49Å; A407-N409 PolarHBondContact O-N 3.25Å; A407-F410 HydrophobicContact CB-CD2 3.81Å; A407-F410 HydrophobicContact CB-CE2 3.99Å; A407-K413 WeakPolarHBondContact O-CE 3.45Å; A407-K413 PolarHBondContact O-NZ 3.37Å; A407-T433 HydrophobicContact CB-CG2 4.11Å | ||
| 408 | D | 83.6 | Confident | 90.1 | Very high | 152 Ų | 152 | 43.1 Ų | 43.1 | 81% | 0.813 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -19.6 | -172.7 | -61.8 | -39.6 | 0 | 0 | 0 | 113.4 | V406 F410 | V406-D408 PolarHBondContact O-N 3.33Å; D408-F410 PolarHBondContact O-N 3.01Å |
| 409 | N | 79.6 | Confident | 89.9 | Confident | 63 Ų | 63 | 45.1 Ų | 45.1 | 34% | 0.337 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -6.3 | 178.8 | 65.1 | -30.9 | 0 | 0 | 0 | 113.7 | A407 D428 | A407-N409 VanDerWaalsContact C-N 3.31Å; A407-N409 WeakPolarHBondContact CB-OD1 3.49Å; A407-N409 PolarHBondContact O-N 3.25Å; N409-D428 PolarHBondContact ND2-OD2 3.39Å |
| 410 | F | 83.8 | Confident | 89.7 | Confident | 9 Ų | 9 | 47 Ų | 47 | 4% | 0.039 | 25% | 0.252 | C | S | . | . | trans | -104.7 | 111 | 175.8 | -57.8 | -51.4 | 0 | 0 | 0 | 110.9 | R367 H404 A407 D408 K413 F421 F434 | R367-F410 HydrophobicContact CG-CE2 4.17Å; R367-F410 HydrophobicContact CG-CZ 4.33Å; H404-F410 WeakPolarHBondContact O-CD2 3.4Å; A407-F410 HydrophobicContact CB-CD2 3.81Å; A407-F410 HydrophobicContact CB-CE2 3.99Å; D408-F410 PolarHBondContact O-N 3.01Å; F410-K413 HydrophobicContact CB-CG 4.17Å; F410-K413 WeakPolarHBondContact O-CE 3.41Å; F410-K413 WeakPolarHBondContact O-CG 3.46Å; F410-F421 HydrophobicContact CE1-CE1 4.02Å; F410-F421 AromaticContact CE1-CZ 3.85Å; F410-F421 HydrophobicContact CE1-CZ 3.85Å; F410-F421 HydrophobicContact CZ-CE1 4.3Å; F410-F421 HydrophobicContact CZ-CZ 4.12Å; F410-F434 HydrophobicContact CZ-CB 4.26Å; F410-F434 HydrophobicContact CZ-CD2 4.44Å | ||
| 411 | T | 82.3 | Confident | 89.4 | Confident | 103 Ų | 103 | 48.2 Ų | 48.2 | 63% | 0.632 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -87.1 | 152.4 | 168.7 | 54.5 | 0 | 0 | 0 | 0 | 110.7 | K413 R420 | T411-K413 PolarHBondContact O-N 3.42Å; T411-R420 PolarHBondContact O-NH1 2.97Å; T411-R420 PolarHBondContact O-NH2 2.87Å |
| 412 | S | 85.3 | Confident | 89.1 | Confident | 73 Ų | 73 | 49.7 Ų | 49.7 | 51% | 0.51 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 46.9 | 63 | -176.8 | -57.1 | 0 | 0 | 0 | 0 | 112 | E414 E415 R420 | S412-E414 VanDerWaalsContact C-N 3.26Å; S412-E414 PolarHBondContact O-N 3.09Å; S412-E415 WeakPolarHBondContact CB-OE2 3.34Å; S412-E415 WeakPolarHBondContact O-CB 3.36Å; S412-E415 PolarHBondContact O-N 2.75Å; S412-R420 PolarHBondContact O-NH2 3.27Å |
| 413 | K | 84.9 | Confident | 87.8 | Confident | 47 Ų | 47 | 54.9 Ų | 54.9 | 20% | 0.204 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -25.4 | -160.6 | -61.8 | -171.2 | -178.2 | -179.3 | 0 | 114 | R367 L368 D405 A407 F410 T411 | R367-K413 VanDerWaalsContact CZ-O 3.29Å; R367-K413 PolarHBondContact NH1-O 2.97Å; R367-K413 PolarHBondContact NH2-O 3.13Å; L368-K413 VanDerWaalsContact CD2-O 3.27Å; L368-K413 WeakPolarHBondContact CD2-O 3.25Å; D405-K413 WeakPolarHBondContact O-CD 3.46Å; D405-K413 WeakPolarHBondContact O-CE 3.26Å; D405-K413 PolarHBondContact O-NZ 3.07Å; A407-K413 WeakPolarHBondContact O-CE 3.45Å; A407-K413 PolarHBondContact O-NZ 3.37Å; F410-K413 HydrophobicContact CB-CG 4.17Å; F410-K413 WeakPolarHBondContact O-CE 3.41Å; F410-K413 WeakPolarHBondContact O-CG 3.46Å; T411-K413 PolarHBondContact O-N 3.42Å |
| 414 | E | 88.3 | Confident | 85.8 | Confident | 155 Ų | 155 | 59 Ų | 59 | 72% | 0.724 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -17.7 | 177.9 | -60.1 | 81.7 | 178.9 | 0 | 0 | 112.9 | S412 | S412-E414 VanDerWaalsContact C-N 3.26Å; S412-E414 PolarHBondContact O-N 3.09Å |
| 415 | E | 92.9 | Very high | 83.7 | Confident | 106 Ų | 106 | 66.3 Ų | 66.3 | 50% | 0.495 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -77.9 | 133.5 | 179.4 | -171.1 | -179.5 | -178.1 | 0 | 0 | 110.7 | E364 R367 S412 N417 | E364-E415 VanDerWaalsContact OE1-O 3.09Å; R367-E415 PolarHBondContact NH2-O 2.74Å; S412-E415 WeakPolarHBondContact CB-OE2 3.34Å; S412-E415 WeakPolarHBondContact O-CB 3.36Å; S412-E415 PolarHBondContact O-N 2.75Å; E415-N417 PolarHBondContact O-N 2.9Å; E415-N417 VanDerWaalsContact O-N 3.14Å |
| 416 | F | 96.4 | Very high | 81.5 | Confident | 6 Ų | 6 | 71 Ų | 71 | 3% | 0.026 | 39% | 0.39 | C | S | . | . | trans | -77.7 | 95.1 | 171.6 | -177.6 | -102.4 | 0 | 0 | 0 | 109.4 | Y317 H321 V324 V361 E364 L368 P418 | Y317-F416 HydrophobicContact CD1-CB 3.96Å; Y317-F416 HydrophobicContact CD1-CD1 4.47Å; Y317-F416 AromaticContact CD1-CD2 3.52Å; Y317-F416 HydrophobicContact CD1-CD2 3.52Å; Y317-F416 HydrophobicContact CD1-CE2 4.14Å; Y317-F416 AromaticContact CD1-CG 3.74Å; Y317-F416 HydrophobicContact CD1-CG 3.74Å; Y317-F416 AromaticContact CD2-CD2 3.94Å; Y317-F416 HydrophobicContact CD2-CD2 3.94Å; Y317-F416 AromaticContact CD2-CE2 3.85Å; Y317-F416 HydrophobicContact CD2-CE2 3.85Å; Y317-F416 HydrophobicContact CE1-CB 4.31Å; Y317-F416 HydrophobicContact CE1-CD2 4.05Å; Y317-F416 HydrophobicContact CE1-CG 4.42Å; Y317-F416 HydrophobicContact CE2-CD2 4.42Å; Y317-F416 AromaticContact CG-CD2 3.49Å; Y317-F416 HydrophobicContact CG-CD2 3.49Å; Y317-F416 VanDerWaalsContact CG-CD2 3.49Å; Y317-F416 AromaticContact CG-CE2 3.6Å; Y317-F416 HydrophobicContact CG-CE2 3.6Å; Y317-F416 HydrophobicContact CG-CG 4.02Å; Y317-F416 HydrophobicContact CG-CZ 4.18Å; H321-F416 HydrophobicContact CB-CD1 4.26Å; H321-F416 AromaticContact CG-CD1 3.81Å; H321-F416 AromaticContact ND1-CD1 3.78Å; V324-F416 HydrophobicContact CB-CE1 4.42Å; V324-F416 HydrophobicContact CG1-CE1 4.08Å; V324-F416 HydrophobicContact CG2-CD1 4.34Å; V324-F416 HydrophobicContact CG2-CE1 4.16Å; V361-F416 HydrophobicContact CG1-CZ 4.05Å; E364-F416 HydrophobicContact CB-CD2 4.39Å; E364-F416 HydrophobicContact CB-CE2 3.99Å; E364-F416 HydrophobicContact CG-CD2 3.62Å; E364-F416 HydrophobicContact CG-CE2 3.74Å; E364-F416 HydrophobicContact CG-CG 4.3Å; L368-F416 HydrophobicContact CD1-CB 4.1Å; L368-F416 HydrophobicContact CD1-CD2 3.75Å; L368-F416 HydrophobicContact CD1-CG 4.44Å; F416-P418 HydrophobicContact CD1-CG 4.31Å; F416-P418 HydrophobicContact CE1-CG 3.73Å; F416-P418 HydrophobicContact CZ-CG 3.91Å | ||
| 417 | N | 94.9 | Very high | 79.4 | Confident | 47 Ų | 47 | 76.5 Ų | 76.5 | 25% | 0.251 | 41% | 0.414 | S | S | . | . | trans | -128.3 | 94.5 | -179 | 179.1 | -1.2 | 0 | 0 | 0 | 110.5 | E364 E415 D419 R420 | E364-N417 PolarHBondContact OE1-N 3.09Å; E364-N417 VanDerWaalsContact OE1-N 3.08Å; E415-N417 PolarHBondContact O-N 2.9Å; E415-N417 VanDerWaalsContact O-N 3.14Å; N417-D419 PolarHBondContact O-N 3.48Å; N417-D419 VanDerWaalsContact OD1-CB 3.29Å; N417-D419 WeakPolarHBondContact OD1-CB 3.32Å; N417-D419 PolarHBondContact OD1-N 2.66Å; N417-R420 VanDerWaalsContact O-CG 3.22Å; N417-R420 WeakPolarHBondContact O-CG 3.42Å; N417-R420 PolarHBondContact O-NE 3.39Å; N417-R420 VanDerWaalsContact O-NE 3.08Å | ||
| 418 | P | 95.4 | Very high | 77.7 | Confident | 1 Ų | 1 | 78.8 Ų | 78.8 | 1% | 0.006 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -62.7 | -27.1 | 176.1 | -25.4 | 36.3 | 0 | 0 | 0 | 114.3 | V324 Y357 C360 V361 E364 F416 R420 F421 | V324-P418 HydrophobicContact CG1-CG 3.8Å; V324-P418 HydrophobicContact CG2-CG 4.19Å; Y357-P418 HydrophobicContact CE2-CB 4.15Å; C360-P418 HydrophobicContact CB-CB 4.26Å; C360-P418 WeakPolarHBondContact CB-O 3.41Å; V361-P418 HydrophobicContact CB-CG 4.42Å; V361-P418 HydrophobicContact CG2-CB 3.88Å; V361-P418 HydrophobicContact CG2-CG 3.84Å; E364-P418 HydrophobicContact CB-CG 4.41Å; F416-P418 HydrophobicContact CD1-CG 4.31Å; F416-P418 HydrophobicContact CE1-CG 3.73Å; F416-P418 HydrophobicContact CZ-CG 3.91Å; P418-R420 PolarHBondContact O-N 3.03Å; P418-F421 PolarHBondContact O-N 3.38Å |
| 419 | D | 92.6 | Very high | 76 | Confident | 61 Ų | 61 | 76.8 Ų | 76.8 | 33% | 0.326 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -61.1 | -22 | -174.8 | -60.7 | -1.8 | 0 | 0 | 0 | 111.6 | K327 Y357 N417 F421 I422 | K327-D419 IonicContact NZ-OD1 3.23Å; K327-D419 PolarHBondContact NZ-OD1 3.4Å; K327-D419 VanDerWaalsContact NZ-OD1 3.16Å; K327-D419 IonicContact NZ-OD2 2.58Å; K327-D419 PolarHBondContact NZ-OD2 2.87Å; Y357-D419 WeakPolarHBondContact CE2-OD1 3.47Å; Y357-D419 PolarHBondContact OH-OD1 3.08Å; N417-D419 PolarHBondContact O-N 3.48Å; N417-D419 VanDerWaalsContact OD1-CB 3.29Å; N417-D419 WeakPolarHBondContact OD1-CB 3.32Å; N417-D419 PolarHBondContact OD1-N 2.66Å; D419-F421 PolarHBondContact O-N 2.92Å; D419-F421 VanDerWaalsContact O-N 3.09Å; D419-I422 HydrophobicContact CB-CD1 3.87Å; D419-I422 VanDerWaalsContact O-CB 3.28Å; D419-I422 WeakPolarHBondContact O-CB 3.23Å; D419-I422 PolarHBondContact O-N 2.81Å |
| 420 | R | 89.5 | Confident | 74.6 | Confident | 40 Ų | 40 | 77 Ų | 77 | 15% | 0.151 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -61.4 | -16.6 | 174.2 | 79.6 | -179.4 | 65.4 | -104.1 | 15.1 | 114.7 | E364 T411 S412 N417 P418 | E364-R420 IonicContact OE1-CZ 3.93Å; E364-R420 IonicContact OE1-NE 2.72Å; E364-R420 PolarHBondContact OE1-NE 2.77Å; E364-R420 IonicContact OE1-NH2 3.22Å; E364-R420 VanDerWaalsContact OE2-CD 3.29Å; E364-R420 WeakPolarHBondContact OE2-CD 3.26Å; E364-R420 IonicContact OE2-NE 3.24Å; E364-R420 PolarHBondContact OE2-NE 3.44Å; T411-R420 PolarHBondContact O-NH1 2.97Å; T411-R420 PolarHBondContact O-NH2 2.87Å; S412-R420 PolarHBondContact O-NH2 3.27Å; N417-R420 VanDerWaalsContact O-CG 3.22Å; N417-R420 WeakPolarHBondContact O-CG 3.42Å; N417-R420 PolarHBondContact O-NE 3.39Å; N417-R420 VanDerWaalsContact O-NE 3.08Å; P418-R420 PolarHBondContact O-N 3.03Å |
| 421 | F | 89.1 | Confident | 73.7 | Confident | 28 Ų | 28 | 82.9 Ų | 82.9 | 12% | 0.123 | 45% | 0.452 | C | S | . | . | G | 310 helix | trans | -103.6 | -3.6 | 177.7 | -69.6 | -70.9 | 0 | 0 | 0 | 113.7 | C360 K363 E364 R367 F410 P418 D419 F434 | C360-F421 HydrophobicContact CB-CB 3.84Å; C360-F421 PolarHBondContact SG-O 3.09Å; C360-F421 VanDerWaalsContact SG-O 3.4Å; K363-F421 HydrophobicContact CB-CD1 4.15Å; K363-F421 HydrophobicContact CB-CD2 3.68Å; K363-F421 HydrophobicContact CB-CE1 4.21Å; K363-F421 HydrophobicContact CB-CE2 3.75Å; K363-F421 HydrophobicContact CB-CG 3.88Å; K363-F421 HydrophobicContact CB-CZ 4.02Å; K363-F421 HydrophobicContact CD-CB 4.02Å; K363-F421 HydrophobicContact CD-CD1 3.76Å; K363-F421 HydrophobicContact CD-CE1 4.32Å; K363-F421 HydrophobicContact CD-CG 3.85Å; E364-F421 HydrophobicContact CB-CD2 4.2Å; E364-F421 HydrophobicContact CB-CE2 4.02Å; E364-F421 VanDerWaalsContact OE2-CE2 3.27Å; E364-F421 WeakPolarHBondContact OE2-CE2 3.39Å; R367-F421 HydrophobicContact CB-CZ 4.42Å; F410-F421 HydrophobicContact CE1-CE1 4.02Å; F410-F421 AromaticContact CE1-CZ 3.85Å; F410-F421 HydrophobicContact CE1-CZ 3.85Å; F410-F421 HydrophobicContact CZ-CE1 4.3Å; F410-F421 HydrophobicContact CZ-CZ 4.12Å; P418-F421 PolarHBondContact O-N 3.38Å; D419-F421 PolarHBondContact O-N 2.92Å; D419-F421 VanDerWaalsContact O-N 3.09Å; F421-F434 HydrophobicContact CE1-CD1 4.45Å; F421-F434 HydrophobicContact CE1-CD2 4.37Å; F421-F434 HydrophobicContact CE1-CG 4.33Å; F421-F434 HydrophobicContact CZ-CD2 4.07Å; F421-F434 AromaticContact CZ-CE2 3.99Å; F421-F434 HydrophobicContact CZ-CE2 3.99Å; F421-F434 HydrophobicContact CZ-CG 4.48Å; F421-F434 HydrophobicContact CZ-CZ 4.32Å |
| 422 | I | 85.7 | Confident | 73.9 | Confident | 73 Ų | 73 | 79 Ų | 79 | 37% | 0.374 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -60.7 | 141.6 | 168.1 | -66.4 | 176.1 | 0 | 0 | 0 | 107.1 | Y357 D419 S424 | Y357-I422 HydrophobicContact CD2-CD1 4Å; Y357-I422 HydrophobicContact CD2-CG1 4.26Å; Y357-I422 HydrophobicContact CE2-CD1 4Å; D419-I422 HydrophobicContact CB-CD1 3.87Å; D419-I422 VanDerWaalsContact O-CB 3.28Å; D419-I422 WeakPolarHBondContact O-CB 3.23Å; D419-I422 PolarHBondContact O-N 2.81Å; I422-S424 PolarHBondContact O-N 3.46Å; I422-S424 PolarHBondContact O-OG 3.24Å |
| 423 | P | 65.4 | Low | 74 | Confident | 120 Ų | 120 | 76.2 Ų | 76.2 | 78% | 0.779 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -59.9 | 94.7 | -160.1 | 21.7 | -34.2 | 0 | 0 | 0 | 113.3 | ||
| 424 | S | 52 | Low | 74.4 | Confident | 87 Ų | 87 | 76 Ų | 76 | 61% | 0.608 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -118.6 | 30.6 | 165.1 | 55.9 | 0 | 0 | 0 | 0 | 111 | I422 | I422-S424 PolarHBondContact O-N 3.46Å; I422-S424 PolarHBondContact O-OG 3.24Å |
| 425 | H | 48.8 | Very low | 74.6 | Confident | 154 Ų | 154 | 69.1 Ų | 69.1 | 71% | 0.713 | 37% | 0.374 | S | S | * | . | trans | 155.9 | 130.5 | 147.6 | -76.6 | -52.7 | 0 | 0 | 0 | 111.3 | E427 | H425-E427 VanDerWaalsContact C-N 3.27Å; H425-E427 PolarHBondContact O-N 2.83Å; H425-E427 VanDerWaalsContact O-N 3.11Å | ||
| 426 | P | 43 | Very low | 74.7 | Confident | 133 Ų | 133 | 64.9 Ų | 64.9 | 86% | 0.864 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -70.9 | 5.6 | -176.1 | -18.1 | 31.5 | 0 | 0 | 0 | 117.8 | ||
| 427 | E | 45.8 | Very low | 74.7 | Confident | 139 Ų | 139 | 66.6 Ų | 66.6 | 65% | 0.65 | 36% | 0.363 | S | S | * | . | trans | -126.1 | 39.4 | -163.1 | -65.2 | -157.1 | 161.5 | 0 | 0 | 117.1 | H425 S430 | H425-E427 VanDerWaalsContact C-N 3.27Å; H425-E427 PolarHBondContact O-N 2.83Å; H425-E427 VanDerWaalsContact O-N 3.11Å; E427-S430 PolarHBondContact O-OG 3.19Å; E427-S430 VanDerWaalsContact O-OG 3.04Å | ||
| 428 | D | 51.3 | Low | 74.6 | Confident | 57 Ų | 57 | 65.3 Ų | 65.3 | 31% | 0.305 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -3.6 | -176.9 | -104.8 | -0.1 | 0 | 0 | 0 | 115.8 | N409 S430 R431 | N409-D428 PolarHBondContact ND2-OD2 3.39Å; D428-S430 VanDerWaalsContact C-N 3.26Å; D428-S430 PolarHBondContact O-N 2.77Å; D428-R431 PolarHBondContact O-N 3.1Å; D428-R431 IonicContact OD1-CZ 3.7Å; D428-R431 IonicContact OD1-NE 3.96Å |
| 429 | S | 49.5 | Very low | 74.5 | Confident | 110 Ų | 110 | 65.7 Ų | 65.7 | 77% | 0.769 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -23.9 | 174.1 | 66 | 0 | 0 | 0 | 0 | 112.8 | R431 | S429-R431 VanDerWaalsContact C-N 3.3Å; S429-R431 PolarHBondContact O-N 3.48Å |
| 430 | S | 50.4 | Low | 74.5 | Confident | 69 Ų | 69 | 63.9 Ų | 63.9 | 48% | 0.483 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -27.3 | 178.4 | 65.8 | 0 | 0 | 0 | 0 | 112.4 | E427 D428 | E427-S430 PolarHBondContact O-OG 3.19Å; E427-S430 VanDerWaalsContact O-OG 3.04Å; D428-S430 VanDerWaalsContact C-N 3.26Å; D428-S430 PolarHBondContact O-N 2.77Å |
| 431 | R | 64.7 | Low | 74.7 | Confident | 131 Ų | 131 | 64.1 Ų | 64.1 | 49% | 0.494 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -6.7 | -170.7 | -55.7 | -172.2 | -158 | -177.9 | 7.5 | 114.9 | A94 D428 S429 T433 | A94-R431 WeakPolarHBondContact CB-O 3.29Å; D428-R431 PolarHBondContact O-N 3.1Å; D428-R431 IonicContact OD1-CZ 3.7Å; D428-R431 IonicContact OD1-NE 3.96Å; S429-R431 VanDerWaalsContact C-N 3.3Å; S429-R431 PolarHBondContact O-N 3.48Å; R431-T433 HydrophobicContact CB-CG2 3.99Å; R431-T433 PolarHBondContact O-N 2.84Å |
| 432 | F | 85.8 | Confident | 74.9 | Confident | 21 Ų | 21 | 64.5 Ų | 64.5 | 9% | 0.092 | 37% | 0.368 | C | S | . | . | trans | 51.6 | 17.2 | -179.6 | -84.6 | -109 | 0 | 0 | 0 | 114.8 | R98 L101 L102 I435 | R98-F432 HydrophobicContact CB-CB 3.92Å; R98-F432 HydrophobicContact CB-CD1 3.81Å; R98-F432 HydrophobicContact CB-CD2 3.76Å; R98-F432 HydrophobicContact CB-CE1 4.24Å; R98-F432 HydrophobicContact CB-CE2 4.19Å; R98-F432 HydrophobicContact CB-CG 3.55Å; R98-F432 HydrophobicContact CB-CZ 4.41Å; R98-F432 HydrophobicContact CG-CD1 4.27Å; R98-F432 HydrophobicContact CG-CD2 3.51Å; R98-F432 HydrophobicContact CG-CE1 4.34Å; R98-F432 HydrophobicContact CG-CE2 3.59Å; R98-F432 HydrophobicContact CG-CG 3.88Å; R98-F432 HydrophobicContact CG-CZ 4.01Å; L101-F432 HydrophobicContact CB-CE1 4.05Å; L101-F432 HydrophobicContact CD1-CD1 4.16Å; L101-F432 HydrophobicContact CD1-CE1 3.84Å; L102-F432 HydrophobicContact CD1-CE2 4.44Å; L102-F432 HydrophobicContact CD1-CZ 4.39Å; L102-F432 HydrophobicContact CD2-CZ 4.03Å; L102-F432 HydrophobicContact CG-CZ 4.03Å; F432-I435 HydrophobicContact CB-CG2 4.19Å; F432-I435 HydrophobicContact CD1-CG2 3.79Å; F432-I435 HydrophobicContact CG-CG2 4.14Å | ||
| 433 | T | 88.4 | Confident | 75.2 | Confident | 15 Ų | 15 | 63.2 Ų | 63.2 | 9% | 0.092 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -76 | -26.8 | 178.3 | 47.5 | 0 | 0 | 0 | 0 | 111.7 | A94 H404 A407 R431 | A94-T433 HydrophobicContact CB-CG2 4Å; H404-T433 PolarHBondContact CD2-O 3.23Å; A407-T433 HydrophobicContact CB-CG2 4.11Å; R431-T433 HydrophobicContact CB-CG2 3.99Å; R431-T433 PolarHBondContact O-N 2.84Å |
| 434 | F | 91.7 | Very high | 76.7 | Confident | 43 Ų | 43 | 60.2 Ų | 60.2 | 19% | 0.189 | 35% | 0.347 | C | S | . | . | trans | -129.3 | 105.1 | 174.9 | -176.5 | -109.8 | 0 | 0 | 0 | 110.8 | K363 L366 R367 F410 F421 P436 | K363-F434 HydrophobicContact CB-CE1 4.23Å; K363-F434 HydrophobicContact CB-CZ 3.86Å; K363-F434 HydrophobicContact CG-CE1 3.97Å; K363-F434 HydrophobicContact CG-CZ 4.06Å; K363-F434 WeakPolarHBondContact O-CE2 3.41Å; K363-F434 WeakPolarHBondContact O-CZ 3.28Å; L366-F434 HydrophobicContact CB-CZ 4.45Å; R367-F434 HydrophobicContact CB-CD2 4.24Å; R367-F434 HydrophobicContact CB-CE2 3.8Å; R367-F434 HydrophobicContact CG-CD2 4.34Å; R367-F434 HydrophobicContact CG-CE2 4.39Å; F410-F434 HydrophobicContact CZ-CB 4.26Å; F410-F434 HydrophobicContact CZ-CD2 4.44Å; F421-F434 HydrophobicContact CE1-CD1 4.45Å; F421-F434 HydrophobicContact CE1-CD2 4.37Å; F421-F434 HydrophobicContact CE1-CG 4.33Å; F421-F434 HydrophobicContact CZ-CD2 4.07Å; F421-F434 AromaticContact CZ-CE2 3.99Å; F421-F434 HydrophobicContact CZ-CE2 3.99Å; F421-F434 HydrophobicContact CZ-CG 4.48Å; F421-F434 HydrophobicContact CZ-CZ 4.32Å; F434-P436 HydrophobicContact CD1-CG 4.24Å; F434-P436 HydrophobicContact CE1-CG 3.62Å; F434-P436 HydrophobicContact CE2-CG 3.94Å; F434-P436 HydrophobicContact CZ-CB 4.36Å; F434-P436 HydrophobicContact CZ-CG 3.47Å; F434-P436 VanDerWaalsContact CZ-CG 3.47Å | ||
| 435 | I | 94.2 | Very high | 78.7 | Confident | 11 Ų | 11 | 57.3 Ų | 57.3 | 6% | 0.056 | 33% | 0.325 | C | S | . | . | trans | -136.1 | 49.5 | -172.3 | 52.2 | 165.6 | 0 | 0 | 0 | 112.6 | V97 L101 I400 T403 H404 F432 F437 G438 | V97-I435 HydrophobicContact CB-CD1 4.38Å; V97-I435 HydrophobicContact CG1-CD1 3.44Å; V97-I435 VanDerWaalsContact CG1-CD1 3.44Å; L101-I435 HydrophobicContact CD1-CD1 4.14Å; I400-I435 HydrophobicContact CG1-CD1 4.19Å; I400-I435 HydrophobicContact CG1-CG1 4.38Å; I400-I435 HydrophobicContact CG2-CG1 4.39Å; T403-I435 HydrophobicContact CG2-CD1 4.45Å; H404-I435 PolarHBondContact NE2-N 3Å; F432-I435 HydrophobicContact CB-CG2 4.19Å; F432-I435 HydrophobicContact CD1-CG2 3.79Å; F432-I435 HydrophobicContact CG-CG2 4.14Å; I435-F437 PolarHBondContact O-N 3.42Å; I435-G438 PolarHBondContact O-N 2.75Å | ||
| 436 | P | 94.8 | Very high | 80.9 | Confident | 17 Ų | 17 | 50.5 Ų | 50.5 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -20.6 | -177.6 | 29 | -38.4 | 0 | 0 | 0 | 113.5 | L366 F434 | L366-P436 HydrophobicContact CB-CB 3.76Å; L366-P436 HydrophobicContact CB-CG 4.26Å; L366-P436 HydrophobicContact CD1-CB 4.29Å; L366-P436 HydrophobicContact CD1-CG 4.38Å; F434-P436 HydrophobicContact CD1-CG 4.24Å; F434-P436 HydrophobicContact CE1-CG 3.62Å; F434-P436 HydrophobicContact CE2-CG 3.94Å; F434-P436 HydrophobicContact CZ-CB 4.36Å; F434-P436 HydrophobicContact CZ-CG 3.47Å; F434-P436 VanDerWaalsContact CZ-CG 3.47Å |
| 437 | F | 95.2 | Very high | 83.4 | Confident | 41 Ų | 41 | 48.1 Ų | 48.1 | 18% | 0.18 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 16.4 | 177.2 | -61.9 | -76.6 | 0 | 0 | 0 | 112.9 | L366 I435 C444 K447 A450 K451 | L366-F437 HydrophobicContact CD1-CE2 3.83Å; L366-F437 HydrophobicContact CD1-CZ 3.75Å; I435-F437 PolarHBondContact O-N 3.42Å; F437-C444 HydrophobicContact CB-CB 3.96Å; F437-C444 HydrophobicContact CD1-CB 4.11Å; F437-C444 PolarHBondContact O-N 3.44Å; F437-C444 VanDerWaalsContact O-N 3.09Å; F437-K447 HydrophobicContact CB-CB 4.39Å; F437-K447 HydrophobicContact CB-CD 4.04Å; F437-K447 HydrophobicContact CB-CG 4.1Å; F437-K447 HydrophobicContact CD1-CB 4.08Å; F437-K447 HydrophobicContact CD1-CG 3.99Å; F437-K447 HydrophobicContact CD2-CD 4.03Å; F437-K447 HydrophobicContact CD2-CG 3.7Å; F437-K447 HydrophobicContact CE1-CG 4.34Å; F437-K447 HydrophobicContact CE2-CG 4.08Å; F437-K447 HydrophobicContact CG-CB 4.12Å; F437-K447 HydrophobicContact CG-CD 4.06Å; F437-K447 HydrophobicContact CG-CG 3.65Å; F437-K447 HydrophobicContact CZ-CG 4.38Å; F437-A450 HydrophobicContact CE1-CB 4.01Å; F437-A450 HydrophobicContact CZ-CB 4.43Å; F437-K451 HydrophobicContact CE2-CG 4.47Å; F437-K451 HydrophobicContact CZ-CG 4.37Å |
| 438 | G | 93.9 | Very high | 85.7 | Confident | 20 Ų | 20 | 45.4 Ų | 45.4 | 21% | 0.206 | 26% | 0.26 | C | S | . | . | trans | 65.8 | -150.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I435 | I435-G438 PolarHBondContact O-N 2.75Š| ||
| 439 | G | 92.4 | Very high | 87.9 | Confident | 9 Ų | 9 | 43.1 Ų | 43.1 | 9% | 0.093 | 25% | 0.247 | C | C | . | . | trans | -171.7 | 175.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 440 | G | 92.6 | Very high | 90.2 | Very high | 23 Ų | 23 | 38.3 Ų | 38.3 | 24% | 0.237 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | 65.4 | -157.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R442 S443 | G440-R442 PolarHBondContact O-N 3.4Å; G440-R442 VanDerWaalsContact O-N 3.07Å; G440-S443 WeakPolarHBondContact O-CB 3.48Å; G440-S443 PolarHBondContact O-N 2.65Å; G440-S443 PolarHBondContact O-OG 3.36Å |
| 441 | P | 93.1 | Very high | 92.4 | Very high | 45 Ų | 45 | 38.2 Ų | 38.2 | 29% | 0.292 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -56.6 | -27.6 | -177 | -28.1 | 37 | 0 | 0 | 0 | 114.1 | L101 E104 H133 K137 | L101-P441 WeakPolarHBondContact O-CD 3.31Å; E104-P441 HydrophobicContact CB-CB 4.34Å; E104-P441 HydrophobicContact CB-CG 4.12Å; E104-P441 HydrophobicContact CG-CB 4.46Å; H133-P441 PolarHBondContact CE1-O 3.36Å; K137-P441 PolarHBondContact NZ-O 3.27Å |
| 442 | R | 93.6 | Very high | 94 | Very high | 37 Ų | 37 | 32.5 Ų | 32.5 | 14% | 0.14 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -98.1 | 18.4 | -179.3 | -61.3 | -73.5 | -174.8 | 166.7 | 3.5 | 113.7 | E104 V110 L125 L128 H129 H133 G440 | E104-R442 HydrophobicContact CG-CG 3.71Å; E104-R442 IonicContact OE1-CZ 3.53Å; E104-R442 IonicContact OE1-NE 2.93Å; E104-R442 PolarHBondContact OE1-NE 3.38Å; E104-R442 IonicContact OE1-NH2 3.71Å; E104-R442 PolarHBondContact OE1-NH2 2.94Å; V110-R442 VanDerWaalsContact CG1-NH2 3.3Å; L125-R442 PolarHBondContact O-NH1 2.91Å; L128-R442 VanDerWaalsContact O-CZ 3.23Å; L128-R442 PolarHBondContact O-NH1 3.46Å; L128-R442 PolarHBondContact O-NH2 3.2Å; H129-R442 PolarHBondContact ND1-NH2 3.47Å; H133-R442 PolarHBondContact CD2-NH1 3.19Å; H133-R442 WeakPolarHBondContact NE2-CD 3.28Å; H133-R442 PolarHBondContact NE2-NH1 3.02Å; G440-R442 PolarHBondContact O-N 3.4Å; G440-R442 VanDerWaalsContact O-N 3.07Å |
| 443 | S | 93.8 | Very high | 94.5 | Very high | 46 Ų | 46 | 31.6 Ų | 31.6 | 32% | 0.322 | 18% | 0.181 | S | C | . | . | trans | -53.1 | 143.4 | 170.2 | 58.8 | 0 | 0 | 0 | 0 | 111.1 | K137 G440 V445 | K137-S443 PolarHBondContact NZ-O 3.09Å; K137-S443 PolarHBondContact NZ-OG 2.91Å; G440-S443 WeakPolarHBondContact O-CB 3.48Å; G440-S443 PolarHBondContact O-N 2.65Å; G440-S443 PolarHBondContact O-OG 3.36Å; S443-V445 PolarHBondContact O-N 2.84Å | ||
| 444 | C | 95.3 | Very high | 95 | Very high | 57 Ų | 57 | 31 Ų | 31 | 39% | 0.385 | 18% | 0.178 | S | C | . | . | trans | -55.3 | 129.2 | 179.8 | -177 | 0 | 0 | 0 | 0 | 111.3 | F437 K447 | F437-C444 HydrophobicContact CB-CB 3.96Å; F437-C444 HydrophobicContact CD1-CB 4.11Å; F437-C444 PolarHBondContact O-N 3.44Å; F437-C444 VanDerWaalsContact O-N 3.09Å; C444-K447 HydrophobicContact CB-CB 4.37Å | ||
| 445 | V | 94.4 | Very high | 95.3 | Very high | 25 Ų | 25 | 30.6 Ų | 30.6 | 15% | 0.152 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -38.3 | 177.9 | -65.5 | 0 | 0 | 0 | 0 | 112.1 | L125 K137 I140 M141 F144 S443 K447 | L125-V445 HydrophobicContact CD2-CG1 3.8Å; K137-V445 HydrophobicContact CD-CG1 4.13Å; K137-V445 HydrophobicContact CG-CG1 3.79Å; I140-V445 HydrophobicContact CG2-CB 4.22Å; I140-V445 HydrophobicContact CG2-CG2 3.91Å; M141-V445 HydrophobicContact CG-CG1 4.25Å; M141-V445 VanDerWaalsContact SD-CA 3.55Å; M141-V445 HydrophobicContact SD-CB 3.68Å; M141-V445 HydrophobicContact SD-CG1 3.81Å; F144-V445 HydrophobicContact CE2-CG2 4.4Å; S443-V445 PolarHBondContact O-N 2.84Å; V445-K447 PolarHBondContact O-N 2.85Å |
| 446 | G | 94.6 | Very high | 95.5 | Very high | 12 Ų | 12 | 30.1 Ų | 30.1 | 12% | 0.124 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 20.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E448 F449 A450 | G446-E448 PolarHBondContact O-N 2.98Å; G446-F449 PolarHBondContact O-N 3Å; G446-A450 WeakPolarHBondContact O-CB 3.39Å; G446-A450 PolarHBondContact O-N 3.45Å |
| 447 | K | 95.4 | Very high | 95.7 | Very high | 83 Ų | 83 | 29.3 Ų | 29.3 | 36% | 0.361 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -58 | -48.7 | -174.9 | 172.8 | -178.8 | 171.9 | -168.5 | 0 | 112.4 | F437 C444 V445 K451 | F437-K447 HydrophobicContact CB-CB 4.39Å; F437-K447 HydrophobicContact CB-CD 4.04Å; F437-K447 HydrophobicContact CB-CG 4.1Å; F437-K447 HydrophobicContact CD1-CB 4.08Å; F437-K447 HydrophobicContact CD1-CG 3.99Å; F437-K447 HydrophobicContact CD2-CD 4.03Å; F437-K447 HydrophobicContact CD2-CG 3.7Å; F437-K447 HydrophobicContact CE1-CG 4.34Å; F437-K447 HydrophobicContact CE2-CG 4.08Å; F437-K447 HydrophobicContact CG-CB 4.12Å; F437-K447 HydrophobicContact CG-CD 4.06Å; F437-K447 HydrophobicContact CG-CG 3.65Å; F437-K447 HydrophobicContact CZ-CG 4.38Å; C444-K447 HydrophobicContact CB-CB 4.37Å; V445-K447 PolarHBondContact O-N 2.85Å; K447-K451 WeakPolarHBondContact O-CG 3.43Å; K447-K451 PolarHBondContact O-N 2.7Å |
| 448 | E | 95.4 | Very high | 95.8 | Very high | 82 Ų | 82 | 27.3 Ų | 27.3 | 38% | 0.383 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -74.5 | -36.5 | -177.1 | -59.8 | -51.1 | 132.2 | 0 | 0 | 111.1 | L149 G446 A450 K451 V452 | L149-E448 HydrophobicContact CD1-CB 3.84Å; G446-E448 PolarHBondContact O-N 2.98Å; E448-A450 PolarHBondContact O-N 3.33Å; E448-K451 VanDerWaalsContact CD-NZ 3.28Å; E448-K451 PolarHBondContact O-N 3.03Å; E448-K451 IonicContact OE1-NZ 2.97Å; E448-K451 PolarHBondContact OE1-NZ 2.75Å; E448-K451 VanDerWaalsContact OE2-CD 3.24Å; E448-K451 WeakPolarHBondContact OE2-CD 3.49Å; E448-K451 IonicContact OE2-NZ 3.05Å; E448-K451 PolarHBondContact OE2-NZ 3.12Å; E448-V452 WeakPolarHBondContact O-CG2 3.37Å; E448-V452 PolarHBondContact O-N 2.96Å |
| 449 | F | 96.4 | Very high | 95.9 | Very high | 8 Ų | 8 | 26.4 Ų | 26.4 | 4% | 0.035 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -54.8 | -51.9 | 168.5 | 174.5 | -105.4 | 0 | 0 | 0 | 112.7 | F144 L149 Y152 I156 I188 I192 G446 K451 V452 L453 | F144-F449 HydrophobicContact CD1-CB 3.7Å; F144-F449 HydrophobicContact CD1-CG 4.18Å; F144-F449 HydrophobicContact CE1-CB 4.1Å; F144-F449 HydrophobicContact CE1-CG 4.16Å; L149-F449 HydrophobicContact CD2-CB 3.79Å; L149-F449 HydrophobicContact CD2-CD2 4.02Å; L149-F449 HydrophobicContact CD2-CG 4.43Å; Y152-F449 AromaticContact CD2-CD2 3.99Å; Y152-F449 HydrophobicContact CD2-CD2 3.99Å; Y152-F449 HydrophobicContact CD2-CE2 4.17Å; I156-F449 HydrophobicContact CD1-CE2 4Å; I188-F449 HydrophobicContact CG2-CZ 4.29Å; I192-F449 HydrophobicContact CD1-CE2 3.86Å; I192-F449 HydrophobicContact CD1-CZ 4.13Å; I192-F449 HydrophobicContact CG2-CE2 3.83Å; I192-F449 HydrophobicContact CG2-CZ 4.3Å; G446-F449 PolarHBondContact O-N 3Å; F449-K451 VanDerWaalsContact C-N 3.29Å; F449-K451 PolarHBondContact O-N 3.08Å; F449-V452 PolarHBondContact O-N 3.27Å; F449-L453 HydrophobicContact CE1-CD1 3.78Å; F449-L453 HydrophobicContact CE2-CD1 4.5Å; F449-L453 HydrophobicContact CZ-CD1 3.66Å; F449-L453 WeakPolarHBondContact O-CB 3.34Å; F449-L453 PolarHBondContact O-N 2.9Å |
| 450 | A | 97.4 | Very high | 96.1 | Very high | 10 Ų | 10 | 26.5 Ų | 26.5 | 8% | 0.083 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.7 | -37.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T307 F437 G446 E448 L454 | T307-A450 HydrophobicContact CG2-CB 4.43Å; F437-A450 HydrophobicContact CE1-CB 4.01Å; F437-A450 HydrophobicContact CZ-CB 4.43Å; G446-A450 WeakPolarHBondContact O-CB 3.39Å; G446-A450 PolarHBondContact O-N 3.45Å; E448-A450 PolarHBondContact O-N 3.33Å; A450-L454 VanDerWaalsContact O-CB 3.3Å; A450-L454 WeakPolarHBondContact O-CB 3.43Å; A450-L454 WeakPolarHBondContact O-CD1 3.41Å; A450-L454 WeakPolarHBondContact O-CG 3.46Å; A450-L454 PolarHBondContact O-N 3.07Å |
| 451 | K | 97.4 | Very high | 96.2 | Very high | 67 Ų | 67 | 25.5 Ų | 25.5 | 29% | 0.291 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -65.3 | -45.6 | 175.3 | -74.7 | 165.5 | 161.1 | -178.8 | 0 | 112.3 | F437 K447 E448 F449 K455 | F437-K451 HydrophobicContact CE2-CG 4.47Å; F437-K451 HydrophobicContact CZ-CG 4.37Å; K447-K451 WeakPolarHBondContact O-CG 3.43Å; K447-K451 PolarHBondContact O-N 2.7Å; E448-K451 VanDerWaalsContact CD-NZ 3.28Å; E448-K451 PolarHBondContact O-N 3.03Å; E448-K451 IonicContact OE1-NZ 2.97Å; E448-K451 PolarHBondContact OE1-NZ 2.75Å; E448-K451 VanDerWaalsContact OE2-CD 3.24Å; E448-K451 WeakPolarHBondContact OE2-CD 3.49Å; E448-K451 IonicContact OE2-NZ 3.05Å; E448-K451 PolarHBondContact OE2-NZ 3.12Å; F449-K451 VanDerWaalsContact C-N 3.29Å; F449-K451 PolarHBondContact O-N 3.08Å; K451-K455 WeakPolarHBondContact O-CB 3.31Å; K451-K455 WeakPolarHBondContact O-CG 3.17Å; K451-K455 PolarHBondContact O-N 3.12Å |
| 452 | V | 97.6 | Very high | 96.3 | Very high | 11 Ų | 11 | 23.3 Ų | 23.3 | 7% | 0.067 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.1 | -50.1 | 177.7 | 166.9 | 0 | 0 | 0 | 0 | 109.8 | L149 V153 I156 M349 L352 E448 F449 L454 K455 I456 | L149-V452 HydrophobicContact CD1-CG2 4.38Å; V153-V452 HydrophobicContact CG2-CG1 4.15Å; I156-V452 HydrophobicContact CD1-CG1 4.37Å; M349-V452 HydrophobicContact CE-CG2 3.87Å; M349-V452 HydrophobicContact SD-CG1 4.17Å; M349-V452 HydrophobicContact SD-CG2 3.75Å; L352-V452 HydrophobicContact CD1-CG1 4.02Å; E448-V452 WeakPolarHBondContact O-CG2 3.37Å; E448-V452 PolarHBondContact O-N 2.96Å; F449-V452 PolarHBondContact O-N 3.27Å; V452-L454 PolarHBondContact O-N 3.42Å; V452-K455 PolarHBondContact O-N 2.87Å; V452-I456 HydrophobicContact CG1-CD1 3.73Å; V452-I456 WeakPolarHBondContact O-CG1 3.48Å; V452-I456 PolarHBondContact O-N 2.78Å |
| 453 | L | 98.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56.5 | -51.4 | 177.7 | -177.2 | 158.6 | 0 | 0 | 0 | 111.8 | I156 M185 I188 T307 F449 K455 I456 F457 | I156-L453 HydrophobicContact CD1-CB 4.15Å; I156-L453 HydrophobicContact CG2-CG 4.21Å; M185-L453 HydrophobicContact CE-CD2 4.02Å; M185-L453 HydrophobicContact SD-CD1 4.16Å; M185-L453 HydrophobicContact SD-CD2 3.72Å; I188-L453 HydrophobicContact CD1-CD1 4.49Å; I188-L453 HydrophobicContact CG2-CD1 3.79Å; T307-L453 HydrophobicContact CG2-CD1 4.49Å; F449-L453 HydrophobicContact CE1-CD1 3.78Å; F449-L453 HydrophobicContact CE2-CD1 4.5Å; F449-L453 HydrophobicContact CZ-CD1 3.66Å; F449-L453 WeakPolarHBondContact O-CB 3.34Å; F449-L453 PolarHBondContact O-N 2.9Å; L453-K455 VanDerWaalsContact C-N 3.28Å; L453-K455 PolarHBondContact O-N 3.46Å; L453-I456 PolarHBondContact O-N 2.8Å; L453-F457 VanDerWaalsContact O-CB 3.3Å; L453-F457 WeakPolarHBondContact O-CB 3.26Å; L453-F457 PolarHBondContact O-N 3.21Å |
| 454 | L | 98.6 | Very high | 96.1 | Very high | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.7 | -31.9 | -179 | -68.1 | 170 | 0 | 0 | 0 | 112.2 | A310 A311 L314 I362 A450 V452 T458 | A310-L454 HydrophobicContact CB-CD1 3.83Å; A310-L454 HydrophobicContact CB-CD2 3.81Å; A310-L454 HydrophobicContact CB-CG 4.49Å; A311-L454 HydrophobicContact CB-CD2 4.09Å; L314-L454 HydrophobicContact CD1-CB 4.13Å; L314-L454 HydrophobicContact CD1-CD2 3.78Å; L314-L454 HydrophobicContact CD1-CG 4.42Å; I362-L454 HydrophobicContact CD1-CB 3.93Å; I362-L454 HydrophobicContact CG1-CB 4.29Å; I362-L454 HydrophobicContact CG2-CB 4.29Å; I362-L454 HydrophobicContact CG2-CD1 4Å; A450-L454 VanDerWaalsContact O-CB 3.3Å; A450-L454 WeakPolarHBondContact O-CB 3.43Å; A450-L454 WeakPolarHBondContact O-CD1 3.41Å; A450-L454 WeakPolarHBondContact O-CG 3.46Å; A450-L454 PolarHBondContact O-N 3.07Å; V452-L454 PolarHBondContact O-N 3.42Å; L454-T458 WeakPolarHBondContact O-CB 3.31Å; L454-T458 PolarHBondContact O-N 3.14Å; L454-T458 PolarHBondContact O-OG1 3.17Å |
| 455 | K | 97.9 | Very high | 96 | Very high | 34 Ų | 34 | 22.5 Ų | 22.5 | 15% | 0.148 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.3 | -51 | 172.6 | -80.1 | -174.6 | 169.3 | -168.6 | 0 | 111.4 | L352 L355 T358 I362 K451 V452 L453 F457 T458 V459 | L352-K455 HydrophobicContact CD2-CB 3.93Å; L352-K455 PolarHBondContact O-NZ 3.4Å; L355-K455 PolarHBondContact O-NZ 3.13Å; T358-K455 HydrophobicContact CG2-CG 4.38Å; I362-K455 HydrophobicContact CD1-CB 4.21Å; I362-K455 HydrophobicContact CD1-CG 3.47Å; I362-K455 VanDerWaalsContact CD1-CG 3.47Å; K451-K455 WeakPolarHBondContact O-CB 3.31Å; K451-K455 WeakPolarHBondContact O-CG 3.17Å; K451-K455 PolarHBondContact O-N 3.12Å; V452-K455 PolarHBondContact O-N 2.87Å; L453-K455 VanDerWaalsContact C-N 3.28Å; L453-K455 PolarHBondContact O-N 3.46Å; K455-F457 VanDerWaalsContact C-N 3.31Å; K455-F457 PolarHBondContact O-N 3.29Å; K455-T458 PolarHBondContact O-N 3.27Å; K455-V459 WeakPolarHBondContact O-CB 3.23Å; K455-V459 VanDerWaalsContact O-CG2 3.26Å; K455-V459 WeakPolarHBondContact O-CG2 3.34Å; K455-V459 PolarHBondContact O-N 3.12Å |
| 456 | I | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.3 | -48.8 | 177.8 | -65.6 | 164.5 | 0 | 0 | 0 | 109.6 | V153 I156 A157 L347 L352 V452 L453 T458 V459 E460 | V153-I456 HydrophobicContact CB-CD1 4.18Å; V153-I456 HydrophobicContact CG1-CD1 3.85Å; V153-I456 HydrophobicContact CG1-CG1 4.49Å; V153-I456 HydrophobicContact CG2-CD1 4.21Å; I156-I456 HydrophobicContact CB-CD1 3.84Å; I156-I456 HydrophobicContact CB-CG2 4.3Å; I156-I456 HydrophobicContact CD1-CD1 3.89Å; I156-I456 HydrophobicContact CG1-CD1 4.45Å; I156-I456 HydrophobicContact CG2-CB 3.89Å; I156-I456 HydrophobicContact CG2-CD1 3.88Å; I156-I456 HydrophobicContact CG2-CG2 3.68Å; A157-I456 HydrophobicContact CB-CG2 4.03Å; L347-I456 HydrophobicContact CD1-CG2 4.16Å; L352-I456 HydrophobicContact CD1-CD1 4.03Å; L352-I456 HydrophobicContact CD1-CG1 3.78Å; L352-I456 HydrophobicContact CD2-CG1 3.88Å; L352-I456 HydrophobicContact CG-CG1 4.47Å; V452-I456 HydrophobicContact CG1-CD1 3.73Å; V452-I456 WeakPolarHBondContact O-CG1 3.48Å; V452-I456 PolarHBondContact O-N 2.78Å; L453-I456 PolarHBondContact O-N 2.8Å; I456-T458 VanDerWaalsContact C-N 3.32Å; I456-T458 PolarHBondContact O-N 3.39Å; I456-V459 PolarHBondContact O-N 3.44Å; I456-V459 VanDerWaalsContact O-N 3.14Å; I456-E460 HydrophobicContact CG2-CG 4.21Å; I456-E460 WeakPolarHBondContact O-CG 3.33Å; I456-E460 PolarHBondContact O-N 3.35Å |
| 457 | F | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55.3 | -45.5 | 176.6 | -177.1 | -104.5 | 0 | 0 | 0 | 113 | V160 W167 V181 L184 M185 A311 I315 L453 K455 L461 | V160-F457 HydrophobicContact CG1-CD2 3.89Å; V160-F457 HydrophobicContact CG2-CD2 4Å; W167-F457 HydrophobicContact CH2-CZ 4.43Å; V181-F457 HydrophobicContact CG2-CZ 4.34Å; L184-F457 HydrophobicContact CD2-CD2 4.12Å; L184-F457 HydrophobicContact CD2-CE2 3.75Å; M185-F457 HydrophobicContact CE-CD2 4.33Å; M185-F457 HydrophobicContact CE-CE2 4.43Å; A311-F457 HydrophobicContact CB-CD1 3.89Å; A311-F457 HydrophobicContact CB-CE1 3.56Å; A311-F457 HydrophobicContact CB-CZ 3.96Å; I315-F457 HydrophobicContact CD1-CE1 4.03Å; I315-F457 HydrophobicContact CD1-CZ 3.68Å; I315-F457 HydrophobicContact CG1-CE1 4.03Å; I315-F457 HydrophobicContact CG1-CZ 4.18Å; L453-F457 VanDerWaalsContact O-CB 3.3Å; L453-F457 WeakPolarHBondContact O-CB 3.26Å; L453-F457 PolarHBondContact O-N 3.21Å; K455-F457 VanDerWaalsContact C-N 3.31Å; K455-F457 PolarHBondContact O-N 3.29Å; F457-L461 HydrophobicContact CD1-CD1 3.69Å; F457-L461 HydrophobicContact CE1-CD1 3.26Å; F457-L461 HydrophobicContact CE1-CG 4.29Å; F457-L461 HydrophobicContact CE2-CD1 4.33Å; F457-L461 HydrophobicContact CG-CD1 4.41Å; F457-L461 HydrophobicContact CZ-CD1 3.65Å; F457-L461 HydrophobicContact CZ-CG 4.32Å; F457-L461 WeakPolarHBondContact O-CB 3.29Å; F457-L461 WeakPolarHBondContact O-CG 3.38Å; F457-L461 PolarHBondContact O-N 3.33Å |
| 458 | T | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.5 | -40.3 | 178.2 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | L318 V328 T358 L454 K455 I456 A462 | L318-T458 HydrophobicContact CD1-CG2 3.98Å; V328-T458 HydrophobicContact CG1-CG2 4.19Å; T358-T458 HydrophobicContact CG2-CG2 3.82Å; L454-T458 WeakPolarHBondContact O-CB 3.31Å; L454-T458 PolarHBondContact O-N 3.14Å; L454-T458 PolarHBondContact O-OG1 3.17Å; K455-T458 PolarHBondContact O-N 3.27Å; I456-T458 VanDerWaalsContact C-N 3.32Å; I456-T458 PolarHBondContact O-N 3.39Å; T458-A462 VanDerWaalsContact O-CB 3.27Å; T458-A462 WeakPolarHBondContact O-CB 3.45Å; T458-A462 PolarHBondContact O-N 3.16Å |
| 459 | V | 96.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.7 | -50.7 | 178.1 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | I332 L337 L347 L355 K455 I456 L461 A462 R463 | I332-V459 HydrophobicContact CD1-CB 4.26Å; I332-V459 HydrophobicContact CD1-CG1 4.25Å; I332-V459 HydrophobicContact CD1-CG2 4.02Å; I332-V459 HydrophobicContact CG1-CG2 4.29Å; I332-V459 HydrophobicContact CG2-CG1 4.49Å; L337-V459 HydrophobicContact CD1-CG1 4.26Å; L347-V459 HydrophobicContact CD1-CG1 4.1Å; L347-V459 HydrophobicContact CD2-CG1 4.16Å; L355-V459 HydrophobicContact CD1-CG2 3.31Å; K455-V459 WeakPolarHBondContact O-CB 3.23Å; K455-V459 VanDerWaalsContact O-CG2 3.26Å; K455-V459 WeakPolarHBondContact O-CG2 3.34Å; K455-V459 PolarHBondContact O-N 3.12Å; I456-V459 PolarHBondContact O-N 3.44Å; I456-V459 VanDerWaalsContact O-N 3.14Å; V459-L461 PolarHBondContact O-N 2.95Å; V459-A462 PolarHBondContact O-N 3.28Å; V459-R463 VanDerWaalsContact CG1-CD 3.43Å; V459-R463 HydrophobicContact CG1-CG 4.1Å; V459-R463 WeakPolarHBondContact O-CB 3.38Å; V459-R463 WeakPolarHBondContact O-CG 3.36Å; V459-R463 PolarHBondContact O-N 2.96Å |
| 460 | E | 95.4 | Very high | 96.3 | Very high | 12 Ų | 12 | 26.2 Ų | 26.2 | 6% | 0.056 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.6 | -42.3 | -179.9 | -67.8 | -55.9 | 126.1 | 0 | 0 | 111.6 | V160 L164 L347 I456 A462 R463 H464 | V160-E460 HydrophobicContact CB-CB 4.47Å; V160-E460 HydrophobicContact CB-CG 4.45Å; V160-E460 HydrophobicContact CG1-CB 3.55Å; V160-E460 HydrophobicContact CG1-CG 4.04Å; L164-E460 HydrophobicContact CD1-CB 3.92Å; L347-E460 HydrophobicContact CD1-CG 4.49Å; L347-E460 VanDerWaalsContact CD1-OE1 3.24Å; L347-E460 WeakPolarHBondContact CD1-OE1 3.48Å; I456-E460 HydrophobicContact CG2-CG 4.21Å; I456-E460 WeakPolarHBondContact O-CG 3.33Å; I456-E460 PolarHBondContact O-N 3.35Å; E460-A462 PolarHBondContact O-N 3.05Å; E460-R463 PolarHBondContact O-N 3.32Å; E460-R463 IonicContact OE1-CZ 2.69Å; E460-R463 IonicContact OE1-NH1 3.16Å; E460-R463 PolarHBondContact OE1-NH1 2.84Å; E460-H464 WeakPolarHBondContact O-CB 3.35Å; E460-H464 PolarHBondContact O-CD2 3.02Å; E460-H464 VanDerWaalsContact O-CD2 3.26Å; E460-H464 PolarHBondContact O-N 3.31Å; E460-H464 IonicContact OE2-CD2 2.7Å; E460-H464 PolarHBondContact OE2-CD2 3.3Å; E460-H464 VanDerWaalsContact OE2-CD2 3.24Å; E460-H464 IonicContact OE2-NE2 2.83Å; E460-H464 PolarHBondContact OE2-NE2 3.28Å |
| 461 | L | 95.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.7 | -50.7 | 171.3 | -83.4 | 172.1 | 0 | 0 | 0 | 112.2 | L164 W167 I315 F457 V459 R463 H464 C465 W467 F492 | L164-L461 HydrophobicContact CD1-CD2 4.4Å; L164-L461 HydrophobicContact CD2-CD2 3.56Å; L164-L461 HydrophobicContact CD2-CG 4.32Å; W167-L461 HydrophobicContact CZ3-CD2 4.46Å; I315-L461 HydrophobicContact CD1-CD1 4.21Å; I315-L461 HydrophobicContact CG1-CD1 3.65Å; F457-L461 HydrophobicContact CD1-CD1 3.69Å; F457-L461 HydrophobicContact CE1-CD1 3.26Å; F457-L461 HydrophobicContact CE1-CG 4.29Å; F457-L461 HydrophobicContact CE2-CD1 4.33Å; F457-L461 HydrophobicContact CG-CD1 4.41Å; F457-L461 HydrophobicContact CZ-CD1 3.65Å; F457-L461 HydrophobicContact CZ-CG 4.32Å; F457-L461 WeakPolarHBondContact O-CB 3.29Å; F457-L461 WeakPolarHBondContact O-CG 3.38Å; F457-L461 PolarHBondContact O-N 3.33Å; V459-L461 PolarHBondContact O-N 2.95Å; L461-R463 VanDerWaalsContact C-N 3.29Å; L461-R463 PolarHBondContact O-N 2.77Å; L461-H464 PolarHBondContact O-N 2.95Å; L461-C465 WeakPolarHBondContact O-CB 3.46Å; L461-C465 PolarHBondContact O-N 3.27Å; L461-C465 VanDerWaalsContact O-O 3.13Å; L461-W467 HydrophobicContact CB-CH2 4.42Å; L461-W467 HydrophobicContact CB-CZ3 4.3Å; L461-W467 HydrophobicContact CD2-CZ3 4.47Å; L461-F492 HydrophobicContact CD2-CE1 4Å |
| 462 | A | 95.3 | Very high | 96 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.6 | -31 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L325 V328 R329 I332 T458 V459 E460 | L325-A462 HydrophobicContact CD1-CB 3.99Å; V328-A462 HydrophobicContact CG1-CB 3.97Å; R329-A462 HydrophobicContact CG-CB 4.08Å; R329-A462 PolarHBondContact NE-O 3.04Å; I332-A462 HydrophobicContact CD1-CB 3.67Å; T458-A462 VanDerWaalsContact O-CB 3.27Å; T458-A462 WeakPolarHBondContact O-CB 3.45Å; T458-A462 PolarHBondContact O-N 3.16Å; V459-A462 PolarHBondContact O-N 3.28Å; E460-A462 PolarHBondContact O-N 3.05Å |
| 463 | R | 90.6 | Very high | 95.9 | Very high | 47 Ų | 47 | 33.2 Ų | 33.2 | 18% | 0.177 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -74.6 | -40.1 | 178.3 | -73.8 | 172.7 | 79.7 | -164.6 | 7.4 | 113.2 | I332 L337 L338 V459 E460 L461 | I332-R463 HydrophobicContact CG2-CG 3.96Å; L337-R463 PolarHBondContact O-NE 2.84Å; L337-R463 PolarHBondContact O-NH2 2.75Å; L338-R463 HydrophobicContact CD2-CB 4.2Å; L338-R463 HydrophobicContact CD2-CG 3.95Å; L338-R463 HydrophobicContact CG-CG 4.39Å; V459-R463 VanDerWaalsContact CG1-CD 3.43Å; V459-R463 HydrophobicContact CG1-CG 4.1Å; V459-R463 WeakPolarHBondContact O-CB 3.38Å; V459-R463 WeakPolarHBondContact O-CG 3.36Å; V459-R463 PolarHBondContact O-N 2.96Å; E460-R463 PolarHBondContact O-N 3.32Å; E460-R463 IonicContact OE1-CZ 2.69Å; E460-R463 IonicContact OE1-NH1 3.16Å; E460-R463 PolarHBondContact OE1-NH1 2.84Å; L461-R463 VanDerWaalsContact C-N 3.29Å; L461-R463 PolarHBondContact O-N 2.77Å |
| 464 | H | 91.3 | Very high | 95.7 | Very high | 75 Ų | 75 | 34.3 Ų | 34.3 | 35% | 0.347 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -108.1 | -25.4 | -167.1 | -67.4 | -72.7 | 0 | 0 | 0 | 114.3 | E460 L461 H494 F495 | E460-H464 WeakPolarHBondContact O-CB 3.35Å; E460-H464 PolarHBondContact O-CD2 3.02Å; E460-H464 VanDerWaalsContact O-CD2 3.26Å; E460-H464 PolarHBondContact O-N 3.31Å; E460-H464 IonicContact OE2-CD2 2.7Å; E460-H464 PolarHBondContact OE2-CD2 3.3Å; E460-H464 VanDerWaalsContact OE2-CD2 3.24Å; E460-H464 IonicContact OE2-NE2 2.83Å; E460-H464 PolarHBondContact OE2-NE2 3.28Å; L461-H464 PolarHBondContact O-N 2.95Å; H464-H494 WeakPolarHBondContact O-CA 3.37Å; H464-F495 PolarHBondContact O-N 2.6Å |
| 465 | C | 94.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 137.9 | -165.8 | -57 | 0 | 0 | 0 | 0 | 113.3 | R329 L461 W467 F492 T493 | R329-C465 PolarHBondContact NH2-O 3.4Å; L461-C465 WeakPolarHBondContact O-CB 3.46Å; L461-C465 PolarHBondContact O-N 3.27Å; L461-C465 VanDerWaalsContact O-O 3.13Å; C465-W467 HydrophobicContact CB-CE3 4.18Å; C465-F492 HydrophobicContact CB-CD1 4.02Å; C465-T493 CarbonylContact C-O 3.57Å; C465-T493 WeakPolarHBondContact CA-O 3.43Å |
| 466 | D | 94.8 | Very high | 95.2 | Very high | 51 Ų | 51 | 39.4 Ų | 39.4 | 27% | 0.273 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 154.1 | 145.6 | -70.3 | -53.7 | 0 | 0 | 0 | 108.6 | R329 F492 T493 F495 | R329-D466 IonicContact CZ-OD1 2.88Å; R329-D466 VanDerWaalsContact CZ-OD1 3.23Å; R329-D466 IonicContact NH1-OD1 2.81Å; R329-D466 PolarHBondContact NH1-OD1 3.32Å; R329-D466 IonicContact NH2-OD1 2.6Å; R329-D466 PolarHBondContact NH2-OD1 2.75Å; D466-F492 WeakPolarHBondContact O-CA 3.37Å; D466-T493 PolarHBondContact N-O 3.34Å; D466-T493 PolarHBondContact O-N 2.87Å; D466-F495 WeakPolarHBondContact OD2-CD2 3.41Å |
| 467 | W | 96.2 | Very high | 94.9 | Very high | 26 Ų | 26 | 43.5 Ų | 43.5 | 10% | 0.098 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 155.7 | 173.8 | 65.2 | 97.5 | 0 | 0 | 0 | 113.2 | I315 L318 L325 L461 C465 R491 F492 | I315-W467 PolarHBondContact O-NE1 3.05Å; L318-W467 HydrophobicContact CB-CH2 4.02Å; L318-W467 HydrophobicContact CB-CZ2 3.57Å; L318-W467 HydrophobicContact CD1-CH2 4.42Å; L325-W467 HydrophobicContact CD1-CH2 3.99Å; L325-W467 HydrophobicContact CD1-CZ3 4.39Å; L325-W467 HydrophobicContact CD2-CH2 3.86Å; L325-W467 HydrophobicContact CD2-CZ3 3.93Å; L461-W467 HydrophobicContact CB-CH2 4.42Å; L461-W467 HydrophobicContact CB-CZ3 4.3Å; L461-W467 HydrophobicContact CD2-CZ3 4.47Å; C465-W467 HydrophobicContact CB-CE3 4.18Å; W467-R491 CarbonylContact C-O 3.54Å; W467-R491 WeakPolarHBondContact CA-O 3.44Å; W467-R491 VanDerWaalsContact CB-O 3.28Å; W467-R491 WeakPolarHBondContact CB-O 3.46Å; W467-F492 HydrophobicContact CB-CD1 3.72Å; W467-F492 HydrophobicContact CB-CD2 4.44Å; W467-F492 HydrophobicContact CB-CE1 3.83Å; W467-F492 HydrophobicContact CB-CG 4.04Å; W467-F492 HydrophobicContact CB-CZ 4.25Å; W467-F492 HydrophobicContact CD2-CE1 4.23Å; W467-F492 HydrophobicContact CE3-CE1 4.41Å; W467-F492 HydrophobicContact CG-CD1 4.34Å; W467-F492 AromaticContact CG-CE1 3.99Å; W467-F492 HydrophobicContact CG-CE1 3.99Å; W467-F492 HydrophobicContact CG-CZ 4.37Å |
| 468 | Q | 96.1 | Very high | 94.3 | Very high | 120 Ų | 120 | 46.4 Ų | 46.4 | 56% | 0.561 | 25% | 0.25 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 130.2 | 176.2 | -174.8 | -178.3 | 12 | 0 | 0 | 109.9 | A490 R491 | Q468-A490 VanDerWaalsContact O-CA 3.26Å; Q468-A490 WeakPolarHBondContact O-CA 3.46Å; Q468-R491 PolarHBondContact N-O 3.02Å; Q468-R491 PolarHBondContact O-N 3.43Å |
| 469 | L | 97.4 | Very high | 93.5 | Very high | 17 Ų | 17 | 49.5 Ų | 49.5 | 9% | 0.089 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 124.9 | 170.2 | -54.9 | -175.1 | 0 | 0 | 0 | 109.3 | L320 N471 L488 A490 | L320-L469 HydrophobicContact CD1-CD1 4.38Å; L320-L469 HydrophobicContact CD2-CD1 3.9Å; L320-L469 HydrophobicContact CG-CD1 3.75Å; L469-N471 PolarHBondContact O-N 3.16Å; L469-L488 HydrophobicContact CD1-CD1 4.11Å; L469-L488 HydrophobicContact CD2-CD1 3.77Å; L469-L488 HydrophobicContact CD2-CD2 4.39Å; L469-L488 HydrophobicContact CD2-CG 4.04Å; L469-L488 HydrophobicContact CG-CD1 4.49Å; L469-A490 HydrophobicContact CD2-CB 4.08Å |
| 470 | L | 96.4 | Very high | 92.6 | Very high | 75 Ų | 75 | 52.7 Ų | 52.7 | 39% | 0.393 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -25.1 | -172.7 | -60.3 | 178 | 0 | 0 | 0 | 113 | P489 R491 | L470-P489 HydrophobicContact CB-CB 4.28Å; L470-P489 HydrophobicContact CD1-CB 4.16Å; L470-P489 PolarHBondContact N-O 3.23Å; L470-R491 HydrophobicContact CD2-CB 4.2Å |
| 471 | N | 95.8 | Very high | 92.4 | Very high | 105 Ų | 105 | 52.5 Ų | 52.5 | 56% | 0.561 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | 7.9 | -177.7 | -64.4 | -20 | 0 | 0 | 0 | 113.6 | L469 D486 | L469-N471 PolarHBondContact O-N 3.16Å; N471-D486 PolarHBondContact ND2-OD2 3.3Å |
| 472 | G | 93.5 | Very high | 92.3 | Very high | 27 Ų | 27 | 52.8 Ų | 52.8 | 28% | 0.278 | 29% | 0.293 | S | S | . | . | S | Bend | trans | 71.1 | -150.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 473 | P | 94.8 | Very high | 92.2 | Very high | 103 Ų | 103 | 55.3 Ų | 55.3 | 67% | 0.669 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -62.2 | 123.2 | -177.4 | -21.1 | 30.9 | 0 | 0 | 0 | 112.9 | L320 | L320-P473 HydrophobicContact CD1-CB 4.02Å; L320-P473 HydrophobicContact CD1-CG 4.38Å; L320-P473 HydrophobicContact CD2-CB 4.22Å; L320-P473 HydrophobicContact CD2-CG 3.79Å |
| 474 | P | 94.9 | Very high | 92.5 | Very high | 23 Ų | 23 | 53.1 Ų | 53.1 | 15% | 0.149 | 30% | 0.295 | C | S | . | . | trans | -74.1 | 147.3 | -176.5 | 31.9 | -37.4 | 0 | 0 | 0 | 111.6 | A316 M476 P484 L488 | A316-P474 HydrophobicContact CB-CG 4.03Å; P474-M476 HydrophobicContact CB-SD 4.18Å; P474-M476 HydrophobicContact CG-SD 3.85Å; P474-M476 PolarHBondContact O-N 3.35Å; P474-P484 HydrophobicContact CB-CB 3.93Å; P474-L488 HydrophobicContact CB-CD1 3.93Å; P474-L488 HydrophobicContact CG-CD1 3.81Å | ||
| 475 | T | 94.1 | Very high | 92.7 | Very high | 97 Ų | 97 | 52.5 Ų | 52.5 | 60% | 0.595 | 30% | 0.297 | S | S | * | . | trans | -77.3 | 114.5 | 163.8 | -64.5 | 0 | 0 | 0 | 0 | 109 | V485 | T475-V485 HydrophobicContact CG2-CG2 4.09Å; T475-V485 VanDerWaalsContact O-CG2 3.31Å; T475-V485 WeakPolarHBondContact O-CG2 3.42Å; T475-V485 PolarHBondContact O-N 3.34Å | ||
| 476 | M | 92.2 | Very high | 92.8 | Very high | 49 Ų | 49 | 54.9 Ų | 54.9 | 24% | 0.241 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 134.5 | 176.1 | -54.9 | -60.1 | -74.4 | 0 | 0 | 111.3 | P474 V482 Y483 P484 | P474-M476 HydrophobicContact CB-SD 4.18Å; P474-M476 HydrophobicContact CG-SD 3.85Å; P474-M476 PolarHBondContact O-N 3.35Å; M476-V482 HydrophobicContact CB-CG1 4.13Å; M476-V482 HydrophobicContact CE-CG1 3.68Å; M476-Y483 WeakPolarHBondContact CA-O 2.92Å; M476-P484 HydrophobicContact SD-CB 3.92Å |
| 477 | K | 90.6 | Very high | 93 | Very high | 86 Ų | 86 | 55.2 Ų | 55.2 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 165.2 | 171.3 | -76.8 | -173.1 | -169.7 | 157.9 | 0 | 110.5 | V482 Y483 V485 | K477-V482 CarbonylContact O-C 3.58Å; K477-V482 VanDerWaalsContact O-CA 3.25Å; K477-V482 WeakPolarHBondContact O-CA 3.48Å; K477-Y483 HydrophobicContact CB-CD1 4.49Å; K477-Y483 HydrophobicContact CB-CE1 3.85Å; K477-Y483 PolarHBondContact N-O 3.31Å; K477-Y483 WeakPolarHBondContact O-CD1 3.08Å; K477-Y483 PolarHBondContact O-N 2.67Å; K477-V485 HydrophobicContact CB-CG2 4.1Å; K477-V485 HydrophobicContact CD-CG2 3.44Å; K477-V485 VanDerWaalsContact CD-CG2 3.44Å; K477-V485 VanDerWaalsContact CE-CG2 3.45Å; K477-V485 HydrophobicContact CG-CG2 3.49Å; K477-V485 VanDerWaalsContact CG-CG2 3.49Å |
| 478 | T | 87.3 | Confident | 93 | Very high | 61 Ų | 61 | 54 Ų | 54 | 37% | 0.374 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 117.9 | 176 | -46.1 | 0 | 0 | 0 | 0 | 110.1 | R64 P373 P480 T481 V482 | R64-T478 PolarHBondContact NH1-O 3.46Å; P373-T478 HydrophobicContact CB-CG2 4.24Å; P373-T478 HydrophobicContact CG-CG2 3.67Å; T478-P480 WeakPolarHBondContact CG2-O 3.48Å; T478-T481 CarbonylContact C-O 3.59Å; T478-T481 VanDerWaalsContact CA-O 3.28Å; T478-T481 WeakPolarHBondContact CA-O 3.27Å; T478-V482 HydrophobicContact CG2-CG2 4.25Å |
| 479 | S | 80.5 | Confident | 93.1 | Very high | 64 Ų | 64 | 49.3 Ų | 49.3 | 45% | 0.448 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -174.6 | 100.3 | 175.1 | -168.1 | 0 | 0 | 0 | 0 | 112.5 | T481 | S479-T481 VanDerWaalsContact C-N 3.31Å; S479-T481 PolarHBondContact N-O 3.28Å |
| 480 | P | 78.6 | Confident | 93.2 | Very high | 67 Ų | 67 | 48.5 Ų | 48.5 | 44% | 0.435 | 28% | 0.282 | S | S | . | . | S | Bend | cis | -73 | -23.6 | -23.1 | 32.8 | -33.5 | 0 | 0 | 0 | 112 | F224 T478 | F224-P480 HydrophobicContact CE2-CB 3.92Å; F224-P480 HydrophobicContact CE2-CG 4.39Å; T478-P480 WeakPolarHBondContact CG2-O 3.48Å |
| 481 | T | 90.9 | Very high | 93.2 | Very high | 8 Ų | 8 | 49.1 Ų | 49.1 | 5% | 0.049 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -96.1 | 171.7 | 175.3 | 52.9 | 0 | 0 | 0 | 0 | 111.6 | E305 T306 P371 T478 S479 Y483 | E305-T481 HydrophobicContact CB-CG2 4.04Å; T306-T481 HydrophobicContact CG2-CG2 4.22Å; P371-T481 WeakPolarHBondContact O-CA 3.47Å; T478-T481 CarbonylContact C-O 3.59Å; T478-T481 VanDerWaalsContact CA-O 3.28Å; T478-T481 WeakPolarHBondContact CA-O 3.27Å; S479-T481 VanDerWaalsContact C-N 3.31Å; S479-T481 PolarHBondContact N-O 3.28Å; T481-Y483 WeakPolarHBondContact O-CD1 3.43Å |
| 482 | V | 93.1 | Very high | 93.2 | Very high | 8 Ų | 8 | 44.2 Ų | 44.2 | 5% | 0.048 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 130.1 | 178.2 | -179 | 0 | 0 | 0 | 0 | 110.5 | S309 N369 P370 P371 M476 K477 T478 | S309-V482 WeakPolarHBondContact CB-O 3.47Å; S309-V482 PolarHBondContact OG-N 2.9Å; S309-V482 PolarHBondContact OG-O 3.07Å; N369-V482 HydrophobicContact CB-CG1 4.04Å; P370-V482 WeakPolarHBondContact O-CG2 3.5Å; P371-V482 PolarHBondContact O-N 2.82Å; M476-V482 HydrophobicContact CB-CG1 4.13Å; M476-V482 HydrophobicContact CE-CG1 3.68Å; K477-V482 CarbonylContact O-C 3.58Å; K477-V482 VanDerWaalsContact O-CA 3.25Å; K477-V482 WeakPolarHBondContact O-CA 3.48Å; T478-V482 HydrophobicContact CG2-CG2 4.25Å |
| 483 | Y | 94.1 | Very high | 93.3 | Very high | 52 Ų | 52 | 46.4 Ų | 46.4 | 20% | 0.204 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 151.6 | -178.7 | 69.4 | -78.8 | 0 | 0 | 0 | 112.1 | Y178 M476 K477 T481 | Y178-Y483 HydrophobicContact CE1-CD2 4.36Å; Y178-Y483 HydrophobicContact CE1-CG 4.22Å; M476-Y483 WeakPolarHBondContact CA-O 2.92Å; K477-Y483 HydrophobicContact CB-CD1 4.49Å; K477-Y483 HydrophobicContact CB-CE1 3.85Å; K477-Y483 PolarHBondContact N-O 3.31Å; K477-Y483 WeakPolarHBondContact O-CD1 3.08Å; K477-Y483 PolarHBondContact O-N 2.67Å; T481-Y483 WeakPolarHBondContact O-CD1 3.43Å |
| 484 | P | 96.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 132.2 | 172.1 | 30.8 | -33.9 | 0 | 0 | 0 | 110.6 | Y178 T312 P474 M476 D486 N487 L488 | Y178-P484 HydrophobicContact CG-CG 4.3Å; T312-P484 HydrophobicContact CG2-CG 3.75Å; P474-P484 HydrophobicContact CB-CB 3.93Å; M476-P484 HydrophobicContact SD-CB 3.92Å; P484-D486 VanDerWaalsContact C-N 3.27Å; P484-D486 PolarHBondContact O-N 2.85Å; P484-N487 PolarHBondContact O-N 2.82Å; P484-N487 VanDerWaalsContact O-N 3.17Å; P484-L488 HydrophobicContact CB-CB 3.97Å; P484-L488 HydrophobicContact CG-CB 3.69Å |
| 485 | V | 95.4 | Very high | 93 | Very high | 63 Ų | 63 | 47.8 Ų | 47.8 | 38% | 0.382 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -34.4 | -175.9 | 173.2 | 0 | 0 | 0 | 0 | 113.3 | T475 K477 N487 | T475-V485 HydrophobicContact CG2-CG2 4.09Å; T475-V485 VanDerWaalsContact O-CG2 3.31Å; T475-V485 WeakPolarHBondContact O-CG2 3.42Å; T475-V485 PolarHBondContact O-N 3.34Å; K477-V485 HydrophobicContact CB-CG2 4.1Å; K477-V485 HydrophobicContact CD-CG2 3.44Å; K477-V485 VanDerWaalsContact CD-CG2 3.44Å; K477-V485 VanDerWaalsContact CE-CG2 3.45Å; K477-V485 HydrophobicContact CG-CG2 3.49Å; K477-V485 VanDerWaalsContact CG-CG2 3.49Å; V485-N487 VanDerWaalsContact C-N 3.32Å |
| 486 | D | 96.5 | Very high | 92.5 | Very high | 49 Ų | 49 | 52.9 Ų | 52.9 | 26% | 0.262 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 10.7 | -178.2 | 66 | -18.6 | 0 | 0 | 0 | 112.9 | N471 P484 L488 P489 | N471-D486 PolarHBondContact ND2-OD2 3.3Å; P484-D486 VanDerWaalsContact C-N 3.27Å; P484-D486 PolarHBondContact O-N 2.85Å; D486-L488 PolarHBondContact O-N 3.19Å; D486-L488 PolarHBondContact OD1-N 3.49Å; D486-L488 VanDerWaalsContact OD1-N 3.11Å; D486-P489 WeakPolarHBondContact O-CD 3.46Å; D486-P489 VanDerWaalsContact OD2-CD 3.25Å; D486-P489 WeakPolarHBondContact OD2-CD 3.35Å |
| 487 | N | 97.3 | Very high | 91.6 | Very high | 58 Ų | 58 | 52.6 Ų | 52.6 | 31% | 0.31 | 27% | 0.273 | S | S | . | . | trans | 61.9 | 15.4 | -173.9 | -61.2 | -55.3 | 0 | 0 | 0 | 115 | L176 V177 Y178 P179 P484 V485 | L176-N487 HydrophobicContact CB-CB 4.07Å; L176-N487 HydrophobicContact CD1-CB 4.33Å; L176-N487 HydrophobicContact CD2-CB 4.33Å; L176-N487 HydrophobicContact CG-CB 4.48Å; V177-N487 PolarHBondContact N-O 3.38Å; V177-N487 VanDerWaalsContact N-O 3.14Å; Y178-N487 PolarHBondContact N-O 2.64Å; P179-N487 HydrophobicContact CG-CB 4.3Å; P484-N487 PolarHBondContact O-N 2.82Å; P484-N487 VanDerWaalsContact O-N 3.17Å; V485-N487 VanDerWaalsContact C-N 3.32Å | ||
| 488 | L | 98 | Very high | 90.6 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | trans | 53.3 | 73.1 | 178.5 | -169.3 | 72.9 | 0 | 0 | 0 | 113.4 | V177 T312 I315 A316 L469 P474 P484 D486 A490 | V177-L488 HydrophobicContact CB-CB 4.18Å; V177-L488 HydrophobicContact CB-CD2 4.06Å; V177-L488 HydrophobicContact CB-CG 4.29Å; V177-L488 WeakPolarHBondContact CB-O 3.47Å; V177-L488 HydrophobicContact CG1-CD2 4.03Å; V177-L488 HydrophobicContact CG2-CD2 4.44Å; V177-L488 VanDerWaalsContact CG2-O 3.25Å; V177-L488 WeakPolarHBondContact CG2-O 3.11Å; V177-L488 PolarHBondContact N-O 2.87Å; V177-L488 VanDerWaalsContact N-O 3.11Å; T312-L488 HydrophobicContact CG2-CB 4.37Å; T312-L488 HydrophobicContact CG2-CD2 3.74Å; I315-L488 HydrophobicContact CB-CD2 4.37Å; I315-L488 HydrophobicContact CG2-CD2 4.03Å; A316-L488 HydrophobicContact CB-CD1 4.06Å; A316-L488 HydrophobicContact CB-CD2 3.98Å; L469-L488 HydrophobicContact CD1-CD1 4.11Å; L469-L488 HydrophobicContact CD2-CD1 3.77Å; L469-L488 HydrophobicContact CD2-CD2 4.39Å; L469-L488 HydrophobicContact CD2-CG 4.04Å; L469-L488 HydrophobicContact CG-CD1 4.49Å; P474-L488 HydrophobicContact CB-CD1 3.93Å; P474-L488 HydrophobicContact CG-CD1 3.81Å; P484-L488 HydrophobicContact CB-CB 3.97Å; P484-L488 HydrophobicContact CG-CB 3.69Å; D486-L488 PolarHBondContact O-N 3.19Å; D486-L488 PolarHBondContact OD1-N 3.49Å; D486-L488 VanDerWaalsContact OD1-N 3.11Å; L488-A490 PolarHBondContact O-N 3.15Å | ||
| 489 | P | 98 | Very high | 89.7 | Confident | 21 Ų | 21 | 55.6 Ų | 55.6 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 125.6 | 174.9 | -19 | 34 | 0 | 0 | 0 | 110.6 | L175 L176 L470 D486 | L175-P489 WeakPolarHBondContact O-CA 3.33Å; L176-P489 HydrophobicContact CD2-CB 4.13Å; L176-P489 HydrophobicContact CD2-CG 3.79Å; L470-P489 HydrophobicContact CB-CB 4.28Å; L470-P489 HydrophobicContact CD1-CB 4.16Å; L470-P489 PolarHBondContact N-O 3.23Å; D486-P489 WeakPolarHBondContact O-CD 3.46Å; D486-P489 VanDerWaalsContact OD2-CD 3.25Å; D486-P489 WeakPolarHBondContact OD2-CD 3.35Å |
| 490 | A | 97.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 155.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | G174 L175 V177 Q468 L469 L488 F492 | G174-A490 CarbonylContact C-O 3.37Å; G174-A490 VanDerWaalsContact CA-O 3.22Å; G174-A490 WeakPolarHBondContact CA-O 3.39Å; L175-A490 PolarHBondContact N-O 3.19Å; L175-A490 PolarHBondContact O-N 2.98Å; V177-A490 HydrophobicContact CG2-CB 3.64Å; Q468-A490 VanDerWaalsContact O-CA 3.26Å; Q468-A490 WeakPolarHBondContact O-CA 3.46Å; L469-A490 HydrophobicContact CD2-CB 4.08Å; L488-A490 PolarHBondContact O-N 3.15Å; A490-F492 HydrophobicContact CB-CD2 4.49Å; A490-F492 HydrophobicContact CB-CE2 3.86Å |
| 491 | R | 97.3 | Very high | 90.7 | Very high | 87 Ų | 87 | 54.5 Ų | 54.5 | 33% | 0.328 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130 | 171.9 | -177.7 | -179.4 | -65.8 | 159 | -4.8 | 109.3 | E172 W467 Q468 L470 | E172-R491 PolarHBondContact O-NE 3.23Å; E172-R491 VanDerWaalsContact O-NE 3.1Å; E172-R491 PolarHBondContact O-NH2 3.42Å; W467-R491 CarbonylContact C-O 3.54Å; W467-R491 WeakPolarHBondContact CA-O 3.44Å; W467-R491 VanDerWaalsContact CB-O 3.28Å; W467-R491 WeakPolarHBondContact CB-O 3.46Å; Q468-R491 PolarHBondContact N-O 3.02Å; Q468-R491 PolarHBondContact O-N 3.43Å; L470-R491 HydrophobicContact CD2-CB 4.2Å |
| 492 | F | 96.7 | Very high | 90.7 | Very high | 3 Ų | 3 | 57.1 Ų | 57.1 | 1% | 0.013 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 141.5 | 178.7 | -69.3 | -102.2 | 0 | 0 | 0 | 110.4 | W167 L168 L175 V177 I315 L461 C465 D466 W467 A490 | W167-F492 HydrophobicContact CB-CD2 4.45Å; W167-F492 HydrophobicContact CB-CG 4.42Å; W167-F492 HydrophobicContact CE3-CD1 4.14Å; W167-F492 HydrophobicContact CE3-CD2 4.32Å; W167-F492 AromaticContact CE3-CE1 3.71Å; W167-F492 HydrophobicContact CE3-CE1 3.71Å; W167-F492 AromaticContact CE3-CE2 3.89Å; W167-F492 HydrophobicContact CE3-CE2 3.89Å; W167-F492 HydrophobicContact CE3-CG 4.44Å; W167-F492 AromaticContact CE3-CZ 3.57Å; W167-F492 HydrophobicContact CE3-CZ 3.57Å; W167-F492 AromaticContact CZ3-CE1 3.96Å; W167-F492 HydrophobicContact CZ3-CE1 3.96Å; W167-F492 HydrophobicContact CZ3-CE2 4.39Å; W167-F492 AromaticContact CZ3-CZ 3.73Å; W167-F492 HydrophobicContact CZ3-CZ 3.73Å; L168-F492 HydrophobicContact CD2-CB 4.26Å; L175-F492 HydrophobicContact CD1-CE2 4.49Å; L175-F492 HydrophobicContact CD2-CD2 3.68Å; L175-F492 HydrophobicContact CD2-CE2 4.01Å; L175-F492 HydrophobicContact CG-CD2 4.43Å; L175-F492 HydrophobicContact CG-CE2 4.34Å; V177-F492 HydrophobicContact CG2-CE2 3.75Å; V177-F492 HydrophobicContact CG2-CZ 4Å; I315-F492 HydrophobicContact CD1-CZ 4.45Å; I315-F492 HydrophobicContact CG2-CZ 4.3Å; L461-F492 HydrophobicContact CD2-CE1 4Å; C465-F492 HydrophobicContact CB-CD1 4.02Å; D466-F492 WeakPolarHBondContact O-CA 3.37Å; W467-F492 HydrophobicContact CB-CD1 3.72Å; W467-F492 HydrophobicContact CB-CD2 4.44Å; W467-F492 HydrophobicContact CB-CE1 3.83Å; W467-F492 HydrophobicContact CB-CG 4.04Å; W467-F492 HydrophobicContact CB-CZ 4.25Å; W467-F492 HydrophobicContact CD2-CE1 4.23Å; W467-F492 HydrophobicContact CE3-CE1 4.41Å; W467-F492 HydrophobicContact CG-CD1 4.34Å; W467-F492 AromaticContact CG-CE1 3.99Å; W467-F492 HydrophobicContact CG-CE1 3.99Å; W467-F492 HydrophobicContact CG-CZ 4.37Å; A490-F492 HydrophobicContact CB-CD2 4.49Å; A490-F492 HydrophobicContact CB-CE2 3.86Å |
| 493 | T | 95.1 | Very high | 90.6 | Very high | 73 Ų | 73 | 60 Ų | 60 | 45% | 0.448 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 155.6 | 175.7 | 53 | 0 | 0 | 0 | 0 | 109.8 | C465 D466 F495 | C465-T493 CarbonylContact C-O 3.57Å; C465-T493 WeakPolarHBondContact CA-O 3.43Å; D466-T493 PolarHBondContact N-O 3.34Å; D466-T493 PolarHBondContact O-N 2.87Å; T493-F495 PolarHBondContact O-N 2.92Å |
| 494 | H | 93.4 | Very high | 90.4 | Very high | 129 Ų | 129 | 60.5 Ų | 60.5 | 60% | 0.597 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 130.5 | 177.3 | -75.1 | -84.2 | 0 | 0 | 0 | 111.3 | H464 | H464-H494 WeakPolarHBondContact O-CA 3.37Å |
| 495 | F | 90.6 | Very high | 90 | Very high | 25 Ų | 25 | 64.5 Ų | 64.5 | 11% | 0.11 | 33% | 0.327 | C | S | . | . | trans | -69.1 | 129.3 | 167.3 | 176.8 | -124.8 | 0 | 0 | 0 | 109.6 | R329 L338 H464 D466 T493 G497 D498 I499 | R329-F495 VanDerWaalsContact NH1-CE2 3.33Å; L338-F495 HydrophobicContact CD2-CD1 4.28Å; L338-F495 HydrophobicContact CD2-CE1 4.02Å; H464-F495 PolarHBondContact O-N 2.6Å; D466-F495 WeakPolarHBondContact OD2-CD2 3.41Å; T493-F495 PolarHBondContact O-N 2.92Å; F495-G497 VanDerWaalsContact CE1-CA 3.44Å; F495-D498 WeakPolarHBondContact CE2-O 3.38Å; F495-I499 HydrophobicContact CE1-CG1 4.34Å; F495-I499 HydrophobicContact CZ-CG1 3.74Å | ||
| 496 | R | 82.4 | Confident | 89.6 | Confident | 205 Ų | 205 | 64.6 Ų | 64.6 | 77% | 0.774 | 32% | 0.323 | S | S | * | . | trans | -86 | -5.6 | -172.9 | -66.2 | -173.3 | 177.7 | -174.6 | -0.5 | 114.7 | D498 | R496-D498 VanDerWaalsContact C-N 3.35Š| ||
| 497 | G | 72.8 | Confident | 89 | Confident | 42 Ų | 42 | 65.8 Ų | 65.8 | 43% | 0.433 | 33% | 0.328 | S | S | . | . | S | Bend | trans | 88.9 | -3.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | F495 I499 | F495-G497 VanDerWaalsContact CE1-CA 3.44Å; G497-I499 PolarHBondContact O-N 3.48Å |
| 498 | D | 70.2 | Confident | 88.3 | Confident | 138 Ų | 138 | 66.4 Ų | 66.4 | 74% | 0.738 | 33% | 0.33 | S | S | * | . | trans | -84.5 | 112.7 | 175.4 | -58 | -38.7 | 0 | 0 | 0 | 108.6 | F495 R496 | F495-D498 WeakPolarHBondContact CE2-O 3.38Å; R496-D498 VanDerWaalsContact C-N 3.35Å | ||
| 499 | I | 67.6 | Low | 87.5 | Confident | 72 Ų | 72 | 72.3 Ų | 72.3 | 37% | 0.369 | 36% | 0.359 | S | S | . | . | trans | -107.1 | 0 | 175.4 | -52.1 | 170.5 | 0 | 0 | 0 | 108.9 | H326 R329 E330 K333 L338 F495 G497 | H326-I499 WeakPolarHBondContact CE1-CG2 3.42Å; H326-I499 PolarHBondContact CE1-OXT 2.88Å; H326-I499 VanDerWaalsContact ND1-CG2 3.31Å; H326-I499 WeakPolarHBondContact ND1-CG2 3.4Å; H326-I499 PolarHBondContact ND1-OXT 3.04Å; R329-I499 HydrophobicContact CB-CD1 3.84Å; R329-I499 HydrophobicContact CB-CG1 4.21Å; R329-I499 HydrophobicContact CB-CG2 4.49Å; E330-I499 HydrophobicContact CG-CG2 3.86Å; E330-I499 WeakPolarHBondContact OE1-CG2 3.45Å; K333-I499 HydrophobicContact CB-CD1 3.99Å; K333-I499 HydrophobicContact CD-CD1 3.53Å; K333-I499 HydrophobicContact CG-CD1 4.4Å; L338-I499 HydrophobicContact CD1-CD1 3.67Å; F495-I499 HydrophobicContact CE1-CG1 4.34Å; F495-I499 HydrophobicContact CZ-CG1 3.74Å; G497-I499 PolarHBondContact O-N 3.48Å |
Retrieved 499 of 499 residues in 95.9 ms
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