| 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 | 71.3 | Confident | 89.9 | Confident | 172 Ų | 172 | 111.9 Ų | 111.9 | 85% | 0.847 | 57% | 0.573 | S | S | * | * | 0 | -57.6 | 0 | -161 | 165.9 | 68.7 | 0 | 0 | 112.1 | V3 L4 I5 | M1-V3 PolarHBondContact O-N 2.82Å; M1-L4 PolarHBondContact O-N 3.13Å; M1-I5 HydrophobicContact CG-CD1 4.28Å; M1-I5 PolarHBondContact O-N 3.27Å | |||
| 2 | F | 85.4 | Confident | 90 | Very high | 137 Ų | 137 | 107.9 Ų | 107.9 | 60% | 0.601 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -58.9 | -38.8 | 180 | -65.8 | -76.3 | 0 | 0 | 0 | 115.1 | L4 I5 Y6 | F2-L4 VanDerWaalsContact C-N 3.33Å; F2-L4 PolarHBondContact O-N 3.07Å; F2-I5 PolarHBondContact O-N 3.22Å; F2-I5 VanDerWaalsContact O-N 3.17Å; F2-Y6 HydrophobicContact CB-CD2 4.38Å; F2-Y6 HydrophobicContact CB-CE2 4.09Å; F2-Y6 WeakPolarHBondContact O-CD2 3.43Å; F2-Y6 PolarHBondContact O-N 2.82Å |
| 3 | V | 88.9 | Confident | 90.2 | Very high | 106 Ų | 106 | 104.9 Ų | 104.9 | 64% | 0.642 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.8 | -40.5 | 176.9 | 178 | 0 | 0 | 0 | 0 | 112.3 | M1 I5 Y6 L7 | M1-V3 PolarHBondContact O-N 2.82Å; V3-I5 VanDerWaalsContact C-N 3.34Å; V3-Y6 PolarHBondContact O-N 2.9Å; V3-L7 HydrophobicContact CG1-CD1 4.11Å; V3-L7 WeakPolarHBondContact O-CB 3.3Å; V3-L7 WeakPolarHBondContact O-CG 3.2Å; V3-L7 PolarHBondContact O-N 2.85Å |
| 4 | L | 89.9 | Confident | 90.3 | Very high | 129 Ų | 129 | 104.6 Ų | 104.6 | 68% | 0.675 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.3 | -36.6 | 176.8 | -68.3 | 172 | 0 | 0 | 0 | 111.5 | M1 F2 L8 | M1-L4 PolarHBondContact O-N 3.13Å; F2-L4 VanDerWaalsContact C-N 3.33Å; F2-L4 PolarHBondContact O-N 3.07Å; L4-L8 WeakPolarHBondContact O-CB 3.39Å; L4-L8 PolarHBondContact O-N 2.83Å |
| 5 | I | 92.6 | Very high | 90.1 | Very high | 79 Ų | 79 | 104.9 Ų | 104.9 | 41% | 0.405 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.4 | -46 | 176 | -64.5 | 169.2 | 0 | 0 | 0 | 110.5 | M1 F2 V3 L7 L8 I9 | M1-I5 HydrophobicContact CG-CD1 4.28Å; M1-I5 PolarHBondContact O-N 3.27Å; F2-I5 PolarHBondContact O-N 3.22Å; F2-I5 VanDerWaalsContact O-N 3.17Å; V3-I5 VanDerWaalsContact C-N 3.34Å; I5-L7 PolarHBondContact O-N 2.91Å; I5-L8 PolarHBondContact O-N 2.77Å; I5-I9 HydrophobicContact CG2-CD1 3.85Å; I5-I9 WeakPolarHBondContact O-CG1 3.24Å; I5-I9 PolarHBondContact O-N 3.36Å |
| 6 | Y | 93.9 | Very high | 90 | Very high | 159 Ų | 159 | 102.1 Ų | 102.1 | 62% | 0.624 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64 | -40.2 | 176.8 | -71.2 | -58.7 | 0 | 0 | 0 | 112.6 | F2 V3 I9 A10 | F2-Y6 HydrophobicContact CB-CD2 4.38Å; F2-Y6 HydrophobicContact CB-CE2 4.09Å; F2-Y6 WeakPolarHBondContact O-CD2 3.43Å; F2-Y6 PolarHBondContact O-N 2.82Å; V3-Y6 PolarHBondContact O-N 2.9Å; Y6-I9 PolarHBondContact O-N 2.72Å; Y6-A10 VanDerWaalsContact O-CB 3.31Å; Y6-A10 WeakPolarHBondContact O-CB 3.17Å; Y6-A10 PolarHBondContact O-N 2.69Å |
| 7 | L | 92.9 | Very high | 90 | Very high | 94 Ų | 94 | 103.9 Ų | 103.9 | 49% | 0.492 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 173.4 | -78.5 | 168.8 | 0 | 0 | 0 | 111.5 | V3 I5 A10 I11 | V3-L7 HydrophobicContact CG1-CD1 4.11Å; V3-L7 WeakPolarHBondContact O-CB 3.3Å; V3-L7 WeakPolarHBondContact O-CG 3.2Å; V3-L7 PolarHBondContact O-N 2.85Å; I5-L7 PolarHBondContact O-N 2.91Å; L7-A10 PolarHBondContact O-N 3.27Å; L7-I11 WeakPolarHBondContact O-CB 3.17Å; L7-I11 WeakPolarHBondContact O-CG1 3.18Å; L7-I11 PolarHBondContact O-N 3.16Å |
| 8 | L | 93.4 | Very high | 89.7 | Confident | 115 Ų | 115 | 102.1 Ų | 102.1 | 60% | 0.602 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.6 | -47.6 | 177.1 | -168.5 | 78.9 | 0 | 0 | 0 | 111.1 | L4 I5 A10 I11 S12 | L4-L8 WeakPolarHBondContact O-CB 3.39Å; L4-L8 PolarHBondContact O-N 2.83Å; I5-L8 PolarHBondContact O-N 2.77Å; L8-A10 PolarHBondContact O-N 2.63Å; L8-I11 PolarHBondContact O-N 2.58Å; L8-S12 WeakPolarHBondContact O-CB 3.31Å; L8-S12 PolarHBondContact O-N 2.88Å; L8-S12 PolarHBondContact O-OG 2.9Å; L8-S12 VanDerWaalsContact O-OG 3.05Å |
| 9 | I | 94.3 | Very high | 89.5 | Confident | 91 Ų | 91 | 101.7 Ų | 101.7 | 47% | 0.467 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 178.6 | -67.6 | 167.3 | 0 | 0 | 0 | 111.4 | I5 Y6 S12 S13 | I5-I9 HydrophobicContact CG2-CD1 3.85Å; I5-I9 WeakPolarHBondContact O-CG1 3.24Å; I5-I9 PolarHBondContact O-N 3.36Å; Y6-I9 PolarHBondContact O-N 2.72Å; I9-S12 PolarHBondContact O-N 3.15Å; I9-S13 VanDerWaalsContact O-CB 3.25Å; I9-S13 WeakPolarHBondContact O-CB 3.46Å; I9-S13 PolarHBondContact O-N 3.39Å; I9-S13 PolarHBondContact O-OG 2.88Å |
| 10 | A | 93.3 | Very high | 89.3 | Confident | 57 Ų | 57 | 102.6 Ų | 102.6 | 47% | 0.471 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y6 L7 L8 S13 L14 | Y6-A10 VanDerWaalsContact O-CB 3.31Å; Y6-A10 WeakPolarHBondContact O-CB 3.17Å; Y6-A10 PolarHBondContact O-N 2.69Å; L7-A10 PolarHBondContact O-N 3.27Å; L8-A10 PolarHBondContact O-N 2.63Å; A10-S13 PolarHBondContact O-N 2.86Å; A10-L14 VanDerWaalsContact O-CB 3.31Å; A10-L14 WeakPolarHBondContact O-CB 3.41Å; A10-L14 PolarHBondContact O-N 3.25Å |
| 11 | I | 92.6 | Very high | 89.2 | Confident | 92 Ų | 92 | 103.4 Ų | 103.4 | 47% | 0.472 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.4 | -47.2 | 176.8 | -67.8 | 169.3 | 0 | 0 | 0 | 110.4 | L7 L8 S13 L14 L15 | L7-I11 WeakPolarHBondContact O-CB 3.17Å; L7-I11 WeakPolarHBondContact O-CG1 3.18Å; L7-I11 PolarHBondContact O-N 3.16Å; L8-I11 PolarHBondContact O-N 2.58Å; I11-S13 PolarHBondContact O-N 2.82Å; I11-L14 PolarHBondContact O-N 3.06Å; I11-L15 HydrophobicContact CG2-CD1 3.83Å; I11-L15 HydrophobicContact CG2-CG 4.28Å; I11-L15 WeakPolarHBondContact O-CB 3.29Å; I11-L15 VanDerWaalsContact O-CG 3.23Å; I11-L15 WeakPolarHBondContact O-CG 3.43Å; I11-L15 PolarHBondContact O-N 3.32Å |
| 12 | S | 91.6 | Very high | 90 | Very high | 64 Ų | 64 | 98 Ų | 98 | 45% | 0.448 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 178 | -66.2 | 0 | 0 | 0 | 0 | 112.2 | L8 I9 L15 A16 | L8-S12 WeakPolarHBondContact O-CB 3.31Å; L8-S12 PolarHBondContact O-N 2.88Å; L8-S12 PolarHBondContact O-OG 2.9Å; L8-S12 VanDerWaalsContact O-OG 3.05Å; I9-S12 PolarHBondContact O-N 3.15Å; S12-L15 PolarHBondContact O-N 2.92Å; S12-A16 WeakPolarHBondContact O-CB 3.35Å; S12-A16 PolarHBondContact O-N 2.85Å |
| 13 | S | 92.7 | Very high | 90.1 | Very high | 69 Ų | 69 | 92.3 Ų | 92.3 | 48% | 0.483 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 175.9 | -61.2 | 0 | 0 | 0 | 0 | 111.7 | I9 A10 I11 A16 Y17 | I9-S13 VanDerWaalsContact O-CB 3.25Å; I9-S13 WeakPolarHBondContact O-CB 3.46Å; I9-S13 PolarHBondContact O-N 3.39Å; I9-S13 PolarHBondContact O-OG 2.88Å; A10-S13 PolarHBondContact O-N 2.86Å; I11-S13 PolarHBondContact O-N 2.82Å; S13-A16 PolarHBondContact O-N 3.2Å; S13-Y17 WeakPolarHBondContact O-CB 3.12Å; S13-Y17 PolarHBondContact O-N 3.06Å |
| 14 | L | 91.3 | Very high | 90.2 | Very high | 101 Ų | 101 | 89.3 Ų | 89.3 | 53% | 0.529 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 175.6 | 178.4 | 62.8 | 0 | 0 | 0 | 111.1 | A10 I11 Y17 L18 | A10-L14 VanDerWaalsContact O-CB 3.31Å; A10-L14 WeakPolarHBondContact O-CB 3.41Å; A10-L14 PolarHBondContact O-N 3.25Å; I11-L14 PolarHBondContact O-N 3.06Å; L14-Y17 PolarHBondContact O-N 3.44Å; L14-L18 HydrophobicContact CD1-CD1 4.21Å; L14-L18 HydrophobicContact CD1-CG 4.19Å; L14-L18 HydrophobicContact CG-CD1 4.1Å; L14-L18 HydrophobicContact CG-CG 4.45Å; L14-L18 WeakPolarHBondContact O-CB 3.46Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.37Å; L14-L18 PolarHBondContact O-N 2.68Å |
| 15 | L | 87.2 | Confident | 90.4 | Very high | 108 Ų | 108 | 84 Ų | 84 | 57% | 0.565 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.6 | -43.2 | 176.8 | -71.8 | 173.3 | 0 | 0 | 0 | 111.5 | I11 S12 L18 Y19 | I11-L15 HydrophobicContact CG2-CD1 3.83Å; I11-L15 HydrophobicContact CG2-CG 4.28Å; I11-L15 WeakPolarHBondContact O-CB 3.29Å; I11-L15 VanDerWaalsContact O-CG 3.23Å; I11-L15 WeakPolarHBondContact O-CG 3.43Å; I11-L15 PolarHBondContact O-N 3.32Å; S12-L15 PolarHBondContact O-N 2.92Å; L15-L18 PolarHBondContact O-N 3.15Å; L15-Y19 WeakPolarHBondContact O-CB 3.37Å; L15-Y19 PolarHBondContact O-N 3.05Å |
| 16 | A | 87.9 | Confident | 90.6 | Very high | 60 Ų | 60 | 80.3 Ų | 80.3 | 50% | 0.496 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S12 S13 Y19 H20 | S12-A16 WeakPolarHBondContact O-CB 3.35Å; S12-A16 PolarHBondContact O-N 2.85Å; S13-A16 PolarHBondContact O-N 3.2Å; A16-Y19 PolarHBondContact O-N 3.48Å; A16-H20 VanDerWaalsContact O-CB 3.32Å; A16-H20 WeakPolarHBondContact O-CB 3.35Å; A16-H20 PolarHBondContact O-N 2.67Å |
| 17 | Y | 89.9 | Confident | 90.6 | Very high | 134 Ų | 134 | 77.6 Ų | 77.6 | 53% | 0.525 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.5 | -47.4 | 175 | 171.8 | -105.5 | 0 | 0 | 0 | 112 | S13 L14 Y19 H20 R21 | S13-Y17 WeakPolarHBondContact O-CB 3.12Å; S13-Y17 PolarHBondContact O-N 3.06Å; L14-Y17 PolarHBondContact O-N 3.44Å; Y17-Y19 VanDerWaalsContact C-N 3.32Å; Y17-Y19 PolarHBondContact O-N 3.47Å; Y17-H20 PolarHBondContact O-N 2.95Å; Y17-R21 WeakPolarHBondContact O-CB 3.49Å; Y17-R21 PolarHBondContact O-N 3.19Å |
| 18 | L | 85.8 | Confident | 90.6 | Very high | 71 Ų | 71 | 79.6 Ų | 79.6 | 37% | 0.372 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.1 | -40.9 | 177.5 | -70.9 | 176.8 | 0 | 0 | 0 | 111.5 | L14 L15 R21 N22 | L14-L18 HydrophobicContact CD1-CD1 4.21Å; L14-L18 HydrophobicContact CD1-CG 4.19Å; L14-L18 HydrophobicContact CG-CD1 4.1Å; L14-L18 HydrophobicContact CG-CG 4.45Å; L14-L18 WeakPolarHBondContact O-CB 3.46Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.37Å; L14-L18 PolarHBondContact O-N 2.68Å; L15-L18 PolarHBondContact O-N 3.15Å; L18-R21 PolarHBondContact O-N 2.82Å; L18-N22 WeakPolarHBondContact O-CB 3.28Å; L18-N22 VanDerWaalsContact O-CG 3.26Å; L18-N22 PolarHBondContact O-N 3.31Å |
| 19 | Y | 84.8 | Confident | 90.7 | Very high | 94 Ų | 94 | 77.7 Ų | 77.7 | 37% | 0.369 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.4 | -53.6 | 175 | 176 | -90.8 | 0 | 0 | 0 | 110.9 | L15 A16 Y17 R21 N22 F23 P38 | L15-Y19 WeakPolarHBondContact O-CB 3.37Å; L15-Y19 PolarHBondContact O-N 3.05Å; A16-Y19 PolarHBondContact O-N 3.48Å; Y17-Y19 VanDerWaalsContact C-N 3.32Å; Y17-Y19 PolarHBondContact O-N 3.47Å; Y19-R21 VanDerWaalsContact C-N 3.33Å; Y19-R21 PolarHBondContact O-N 2.83Å; Y19-N22 PolarHBondContact O-N 2.89Å; Y19-F23 AromaticContact CD2-CD2 3.95Å; Y19-F23 HydrophobicContact CD2-CD2 3.95Å; Y19-F23 AromaticContact CD2-CE2 3.77Å; Y19-F23 HydrophobicContact CD2-CE2 3.77Å; Y19-F23 HydrophobicContact CD2-CG 4.48Å; Y19-F23 HydrophobicContact CD2-CZ 4.15Å; Y19-F23 HydrophobicContact CE1-CD1 4.3Å; Y19-F23 HydrophobicContact CE1-CG 4.34Å; Y19-F23 AromaticContact CE2-CD1 3.89Å; Y19-F23 HydrophobicContact CE2-CD1 3.89Å; Y19-F23 AromaticContact CE2-CD2 3.86Å; Y19-F23 HydrophobicContact CE2-CD2 3.86Å; Y19-F23 AromaticContact CE2-CE1 3.64Å; Y19-F23 HydrophobicContact CE2-CE1 3.64Å; Y19-F23 AromaticContact CE2-CE2 3.54Å; Y19-F23 HydrophobicContact CE2-CE2 3.54Å; Y19-F23 HydrophobicContact CE2-CG 4.07Å; Y19-F23 AromaticContact CE2-CZ 3.46Å; Y19-F23 HydrophobicContact CE2-CZ 3.46Å; Y19-F23 VanDerWaalsContact CE2-CZ 3.46Å; Y19-F23 HydrophobicContact CG-CD2 4.42Å; Y19-F23 AromaticContact CZ-CD1 3.63Å; Y19-F23 AromaticContact CZ-CE1 3.72Å; Y19-F23 AromaticContact CZ-CG 3.97Å; Y19-F23 WeakPolarHBondContact O-CB 3.36Å; Y19-F23 WeakPolarHBondContact O-CD2 3.48Å; Y19-F23 PolarHBondContact O-N 3.36Å; Y19-F23 WeakPolarHBondContact OH-CD1 3.31Å; Y19-F23 WeakPolarHBondContact OH-CE1 3.36Å; Y19-P38 HydrophobicContact CE2-CB 4.27Å; Y19-P38 WeakPolarHBondContact OH-CA 3.18Å; Y19-P38 WeakPolarHBondContact OH-CB 2.8Å; Y19-P38 WeakPolarHBondContact OH-CG 3.3Å |
| 20 | H | 86.9 | Confident | 90.6 | Very high | 120 Ų | 120 | 76 Ų | 76 | 56% | 0.556 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60.7 | -42.2 | 178.2 | -174.3 | 83.3 | 0 | 0 | 0 | 111.8 | A16 Y17 N22 N24 | A16-H20 VanDerWaalsContact O-CB 3.32Å; A16-H20 WeakPolarHBondContact O-CB 3.35Å; A16-H20 PolarHBondContact O-N 2.67Å; Y17-H20 PolarHBondContact O-N 2.95Å; H20-N22 PolarHBondContact O-N 2.73Å; H20-N24 PolarHBondContact CE1-ND2 2.86Å; H20-N24 PolarHBondContact ND1-ND2 3.5Å; H20-N24 PolarHBondContact NE2-ND2 2.78Å; H20-N24 WeakPolarHBondContact O-CB 3.49Å; H20-N24 PolarHBondContact O-N 3.48Å; H20-N24 PolarHBondContact O-ND2 3.46Å |
| 21 | R | 87.3 | Confident | 90.8 | Very high | 120 Ų | 120 | 73.6 Ų | 73.6 | 45% | 0.453 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 176.6 | 177.2 | 175.9 | 176.8 | -177.6 | 0.5 | 111.8 | Y17 L18 Y19 R28 | Y17-R21 WeakPolarHBondContact O-CB 3.49Å; Y17-R21 PolarHBondContact O-N 3.19Å; L18-R21 PolarHBondContact O-N 2.82Å; Y19-R21 VanDerWaalsContact C-N 3.33Å; Y19-R21 PolarHBondContact O-N 2.83Å; R21-R28 PolarHBondContact O-NH2 3.5Å |
| 22 | N | 86.9 | Confident | 91 | Very high | 58 Ų | 58 | 70.7 Ų | 70.7 | 31% | 0.31 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -73.8 | -44.1 | -178.8 | -74.7 | -11.5 | 0 | 0 | 0 | 111.4 | L18 Y19 H20 N24 Y25 Y74 | L18-N22 WeakPolarHBondContact O-CB 3.28Å; L18-N22 VanDerWaalsContact O-CG 3.26Å; L18-N22 PolarHBondContact O-N 3.31Å; Y19-N22 PolarHBondContact O-N 2.89Å; H20-N22 PolarHBondContact O-N 2.73Å; N22-N24 PolarHBondContact O-N 2.99Å; N22-Y25 WeakPolarHBondContact O-CB 3.45Å; N22-Y25 PolarHBondContact O-N 2.92Å; N22-Y74 WeakPolarHBondContact O-CE1 3.43Å; N22-Y74 PolarHBondContact O-OH 3.45Å |
| 23 | F | 88.4 | Confident | 91.1 | Very high | 17 Ų | 17 | 69.6 Ų | 69.6 | 8% | 0.075 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -73.9 | -16.3 | -176.2 | -78.9 | -127.2 | 0 | 0 | 0 | 112.8 | Y19 P36 H37 Y74 H77 | Y19-F23 AromaticContact CD2-CD2 3.95Å; Y19-F23 HydrophobicContact CD2-CD2 3.95Å; Y19-F23 AromaticContact CD2-CE2 3.77Å; Y19-F23 HydrophobicContact CD2-CE2 3.77Å; Y19-F23 HydrophobicContact CD2-CG 4.48Å; Y19-F23 HydrophobicContact CD2-CZ 4.15Å; Y19-F23 HydrophobicContact CE1-CD1 4.3Å; Y19-F23 HydrophobicContact CE1-CG 4.34Å; Y19-F23 AromaticContact CE2-CD1 3.89Å; Y19-F23 HydrophobicContact CE2-CD1 3.89Å; Y19-F23 AromaticContact CE2-CD2 3.86Å; Y19-F23 HydrophobicContact CE2-CD2 3.86Å; Y19-F23 AromaticContact CE2-CE1 3.64Å; Y19-F23 HydrophobicContact CE2-CE1 3.64Å; Y19-F23 AromaticContact CE2-CE2 3.54Å; Y19-F23 HydrophobicContact CE2-CE2 3.54Å; Y19-F23 HydrophobicContact CE2-CG 4.07Å; Y19-F23 AromaticContact CE2-CZ 3.46Å; Y19-F23 HydrophobicContact CE2-CZ 3.46Å; Y19-F23 VanDerWaalsContact CE2-CZ 3.46Å; Y19-F23 HydrophobicContact CG-CD2 4.42Å; Y19-F23 AromaticContact CZ-CD1 3.63Å; Y19-F23 AromaticContact CZ-CE1 3.72Å; Y19-F23 AromaticContact CZ-CG 3.97Å; Y19-F23 WeakPolarHBondContact O-CB 3.36Å; Y19-F23 WeakPolarHBondContact O-CD2 3.48Å; Y19-F23 PolarHBondContact O-N 3.36Å; Y19-F23 WeakPolarHBondContact OH-CD1 3.31Å; Y19-F23 WeakPolarHBondContact OH-CE1 3.36Å; F23-P36 HydrophobicContact CB-CG 4.03Å; F23-P36 HydrophobicContact CD1-CB 3.67Å; F23-P36 HydrophobicContact CD1-CG 3.3Å; F23-P36 HydrophobicContact CE1-CB 3.66Å; F23-P36 HydrophobicContact CE1-CG 3.87Å; F23-P36 HydrophobicContact CG-CG 3.89Å; F23-H37 WeakPolarHBondContact CE1-O 3.49Å; F23-Y74 VanDerWaalsContact C-OH 3.26Å; F23-Y74 PolarHBondContact O-OH 3.48Å; F23-H77 HydrophobicContact CE2-CB 4.05Å; F23-H77 HydrophobicContact CZ-CB 4.42Å |
| 24 | N | 91 | Very high | 91.1 | Very high | 44 Ų | 44 | 68.6 Ų | 68.6 | 24% | 0.235 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 11.8 | 168.6 | -78.4 | -44.4 | 0 | 0 | 0 | 114.2 | H20 N22 W26 R28 | H20-N24 PolarHBondContact CE1-ND2 2.86Å; H20-N24 PolarHBondContact ND1-ND2 3.5Å; H20-N24 PolarHBondContact NE2-ND2 2.78Å; H20-N24 WeakPolarHBondContact O-CB 3.49Å; H20-N24 PolarHBondContact O-N 3.48Å; H20-N24 PolarHBondContact O-ND2 3.46Å; N22-N24 PolarHBondContact O-N 2.99Å; N24-W26 PolarHBondContact O-N 3.47Å; N24-R28 WeakPolarHBondContact O-CG 3.25Å; N24-R28 PolarHBondContact O-N 2.69Å; N24-R28 VanDerWaalsContact O-N 3.13Å; N24-R28 PolarHBondContact O-NE 3.11Å |
| 25 | Y | 94.7 | Very high | 91.1 | Very high | 18 Ų | 18 | 68.2 Ų | 68.2 | 7% | 0.071 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -52 | -178.7 | 176.4 | -87.6 | 0 | 0 | 0 | 112.6 | N22 R29 Y74 P79 E398 T401 | N22-Y25 WeakPolarHBondContact O-CB 3.45Å; N22-Y25 PolarHBondContact O-N 2.92Å; Y25-R29 VanDerWaalsContact CD2-NH1 3.25Å; Y25-R29 VanDerWaalsContact CZ-CZ 3.44Å; Y25-R29 VanDerWaalsContact CZ-NE 3.3Å; Y25-R29 PolarHBondContact O-NH1 3.42Å; Y25-R29 PolarHBondContact OH-NE 3.15Å; Y25-Y74 WeakPolarHBondContact CB-OH 3.46Å; Y25-Y74 PolarHBondContact N-OH 3.18Å; Y25-P79 HydrophobicContact CD1-CB 3.51Å; Y25-P79 HydrophobicContact CD1-CG 4Å; Y25-P79 HydrophobicContact CD2-CG 4.18Å; Y25-P79 HydrophobicContact CE1-CB 3.99Å; Y25-P79 HydrophobicContact CE1-CG 4.37Å; Y25-P79 HydrophobicContact CG-CB 3.88Å; Y25-P79 HydrophobicContact CG-CG 3.92Å; Y25-E398 WeakPolarHBondContact CE2-OE2 3.31Å; Y25-E398 VanDerWaalsContact CZ-OE2 3.27Å; Y25-E398 VanDerWaalsContact OH-CD 3.27Å; Y25-E398 PolarHBondContact OH-OE2 3.37Å; Y25-T401 PolarHBondContact OH-OG1 2.88Å |
| 26 | W | 95.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -36.5 | -177.7 | -66.5 | 123.3 | 0 | 0 | 0 | 112.9 | N24 R28 R29 G30 V31 H33 F70 G72 F73 Y74 P79 A80 A81 T401 | N24-W26 PolarHBondContact O-N 3.47Å; W26-R28 VanDerWaalsContact C-N 3.34Å; W26-R28 PolarHBondContact O-N 3.38Å; W26-R29 CarbonylContact O-C 3.42Å; W26-R29 PolarHBondContact O-N 2.96Å; W26-G30 PolarHBondContact O-N 2.89Å; W26-V31 HydrophobicContact CB-CB 4.42Å; W26-V31 HydrophobicContact CD2-CB 4.47Å; W26-V31 HydrophobicContact CD2-CG1 4.49Å; W26-V31 HydrophobicContact CE3-CB 3.7Å; W26-V31 HydrophobicContact CE3-CG1 3.86Å; W26-V31 HydrophobicContact CE3-CG2 3.8Å; W26-V31 HydrophobicContact CZ3-CB 4.4Å; W26-V31 HydrophobicContact CZ3-CG1 4.32Å; W26-V31 HydrophobicContact CZ3-CG2 4.13Å; W26-V31 PolarHBondContact O-N 2.89Å; W26-H33 HydrophobicContact CB-CB 4.21Å; W26-H33 WeakPolarHBondContact CB-ND1 3.47Å; W26-F70 HydrophobicContact CE3-CE2 4.44Å; W26-F70 AromaticContact CH2-CE2 3.99Å; W26-F70 HydrophobicContact CH2-CE2 3.99Å; W26-F70 AromaticContact CZ3-CE2 3.59Å; W26-F70 HydrophobicContact CZ3-CE2 3.59Å; W26-F70 HydrophobicContact CZ3-CZ 4.35Å; W26-G72 VanDerWaalsContact CD1-CA 3.44Å; W26-G72 VanDerWaalsContact CE2-CA 3.41Å; W26-G72 VanDerWaalsContact CG-CA 3.49Å; W26-F73 PolarHBondContact NE1-O 3.28Å; W26-Y74 AromaticContact CD1-CE2 3.41Å; W26-Y74 VanDerWaalsContact CD1-CE2 3.41Å; W26-Y74 AromaticContact CD1-CZ 3.56Å; W26-Y74 HydrophobicContact CG-CE2 4.42Å; W26-Y74 PolarHBondContact N-OH 2.85Å; W26-P79 HydrophobicContact CZ2-CB 4.09Å; W26-A80 WeakPolarHBondContact CZ2-O 3.38Å; W26-A81 HydrophobicContact CH2-CB 4.07Å; W26-T401 HydrophobicContact CH2-CG2 4.09Å; W26-T401 HydrophobicContact CZ2-CG2 4.22Å |
| 27 | N | 94 | Very high | 91.2 | Very high | 102 Ų | 102 | 63.7 Ų | 63.7 | 55% | 0.545 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -57.7 | -45.6 | 176.3 | -170.5 | 38.3 | 0 | 0 | 0 | 112 | R29 G30 H33 | N27-R29 PolarHBondContact O-N 3.11Å; N27-R29 VanDerWaalsContact O-N 3.14Å; N27-G30 PolarHBondContact O-N 3.07Å; N27-G30 VanDerWaalsContact O-N 3.12Å; N27-H33 PolarHBondContact N-CE1 2.75Å; N27-H33 VanDerWaalsContact N-CE1 3.28Å |
| 28 | R | 93.4 | Very high | 90.7 | Very high | 137 Ų | 137 | 60.9 Ų | 60.9 | 52% | 0.517 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -64.4 | -17.5 | 177.1 | -71.5 | -175.9 | -59.2 | -155.7 | -1.3 | 114.5 | R21 N24 W26 | R21-R28 PolarHBondContact O-NH2 3.5Å; N24-R28 WeakPolarHBondContact O-CG 3.25Å; N24-R28 PolarHBondContact O-N 2.69Å; N24-R28 VanDerWaalsContact O-N 3.13Å; N24-R28 PolarHBondContact O-NE 3.11Å; W26-R28 VanDerWaalsContact C-N 3.34Å; W26-R28 PolarHBondContact O-N 3.38Å |
| 29 | R | 94.2 | Very high | 90.3 | Very high | 74 Ų | 74 | 63.6 Ų | 63.6 | 28% | 0.279 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -100.8 | 0.2 | 180 | -71.4 | 167.4 | 179.6 | 69.4 | 3 | 112.5 | Y25 W26 N27 V31 E398 | Y25-R29 VanDerWaalsContact CD2-NH1 3.25Å; Y25-R29 VanDerWaalsContact CZ-CZ 3.44Å; Y25-R29 VanDerWaalsContact CZ-NE 3.3Å; Y25-R29 PolarHBondContact O-NH1 3.42Å; Y25-R29 PolarHBondContact OH-NE 3.15Å; W26-R29 CarbonylContact O-C 3.42Å; W26-R29 PolarHBondContact O-N 2.96Å; N27-R29 PolarHBondContact O-N 3.11Å; N27-R29 VanDerWaalsContact O-N 3.14Å; R29-V31 HydrophobicContact CB-CG2 3.95Å; R29-V31 PolarHBondContact O-N 2.93Å; R29-E398 IonicContact CZ-OE1 3.12Å; R29-E398 IonicContact CZ-OE2 3.29Å; R29-E398 VanDerWaalsContact CZ-OE2 3.29Å; R29-E398 IonicContact NE-OE1 3.55Å; R29-E398 PolarHBondContact NE-OE1 2.9Å; R29-E398 IonicContact NE-OE2 2.75Å; R29-E398 PolarHBondContact NE-OE2 2.59Å; R29-E398 IonicContact NH2-OE1 2.62Å; R29-E398 PolarHBondContact NH2-OE1 3.08Å; R29-E398 IonicContact NH2-OE2 2.7Å; R29-E398 PolarHBondContact NH2-OE2 3.2Å |
| 30 | G | 93.8 | Very high | 90.1 | Very high | 55 Ų | 55 | 62.1 Ų | 62.1 | 57% | 0.567 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 25.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | W26 N27 | W26-G30 PolarHBondContact O-N 2.89Å; N27-G30 PolarHBondContact O-N 3.07Å; N27-G30 VanDerWaalsContact O-N 3.12Å |
| 31 | V | 96.6 | Very high | 90.1 | Very high | 7 Ų | 7 | 56.4 Ų | 56.4 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | trans | -92.4 | 126 | 178.2 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | W26 R29 H33 F70 G72 L395 | W26-V31 HydrophobicContact CB-CB 4.42Å; W26-V31 HydrophobicContact CD2-CB 4.47Å; W26-V31 HydrophobicContact CD2-CG1 4.49Å; W26-V31 HydrophobicContact CE3-CB 3.7Å; W26-V31 HydrophobicContact CE3-CG1 3.86Å; W26-V31 HydrophobicContact CE3-CG2 3.8Å; W26-V31 HydrophobicContact CZ3-CB 4.4Å; W26-V31 HydrophobicContact CZ3-CG1 4.32Å; W26-V31 HydrophobicContact CZ3-CG2 4.13Å; W26-V31 PolarHBondContact O-N 2.89Å; R29-V31 HydrophobicContact CB-CG2 3.95Å; R29-V31 PolarHBondContact O-N 2.93Å; V31-H33 PolarHBondContact O-ND1 2.82Å; V31-F70 HydrophobicContact CG1-CD2 4.16Å; V31-F70 HydrophobicContact CG1-CE2 3.79Å; V31-F70 HydrophobicContact CG2-CE2 4.08Å; V31-F70 HydrophobicContact CG2-CZ 4.26Å; V31-G72 VanDerWaalsContact CG1-N 3.3Å; V31-L395 HydrophobicContact CG2-CD2 4.22Å | ||
| 32 | P | 96.3 | Very high | 90.1 | Very high | 32 Ų | 32 | 51.5 Ų | 51.5 | 21% | 0.208 | 28% | 0.283 | C | S | . | . | trans | -57.4 | 138.8 | 175.4 | -22.8 | 32.3 | 0 | 0 | 0 | 111.4 | Y63 F68 V71 G72 | P32-Y63 HydrophobicContact CB-CD1 4.24Å; P32-Y63 HydrophobicContact CB-CE1 3.91Å; P32-F68 VanDerWaalsContact CD-CE1 3.49Å; P32-F68 HydrophobicContact CG-CD1 4.07Å; P32-F68 HydrophobicContact CG-CD2 3.62Å; P32-F68 HydrophobicContact CG-CE1 4Å; P32-F68 HydrophobicContact CG-CE2 3.54Å; P32-F68 HydrophobicContact CG-CG 3.89Å; P32-F68 HydrophobicContact CG-CZ 3.74Å; P32-V71 HydrophobicContact CB-CG1 4.09Å; P32-V71 VanDerWaalsContact O-CB 3.3Å; P32-V71 WeakPolarHBondContact O-CB 3.5Å; P32-G72 PolarHBondContact O-N 2.92Å | ||
| 33 | H | 95 | Very high | 89.7 | Confident | 41 Ų | 41 | 48.9 Ų | 48.9 | 19% | 0.19 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -164.3 | 160.1 | 178.4 | 60.1 | -70.7 | 0 | 0 | 0 | 110.3 | W26 N27 V31 Y63 G72 Y74 | W26-H33 HydrophobicContact CB-CB 4.21Å; W26-H33 WeakPolarHBondContact CB-ND1 3.47Å; N27-H33 PolarHBondContact N-CE1 2.75Å; N27-H33 VanDerWaalsContact N-CE1 3.28Å; V31-H33 PolarHBondContact O-ND1 2.82Å; H33-Y63 PolarHBondContact O-OH 2.9Å; H33-G72 WeakPolarHBondContact CB-O 3.28Å; H33-Y74 AromaticContact CD2-CE2 3.99Å |
| 34 | D | 93.3 | Very high | 89 | Confident | 48 Ų | 48 | 50.2 Ų | 50.2 | 26% | 0.257 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -79 | 143.1 | 166.6 | -82 | -16.7 | 0 | 0 | 0 | 111.3 | P36 N42 Y59 K62 Y63 | D34-P36 VanDerWaalsContact O-CD 3.26Å; D34-P36 WeakPolarHBondContact O-CD 3.42Å; D34-P36 VanDerWaalsContact O-N 3.13Å; D34-N42 VanDerWaalsContact CB-ND2 3.28Å; D34-N42 WeakPolarHBondContact CB-ND2 3.21Å; D34-N42 PolarHBondContact O-ND2 2.69Å; D34-Y59 HydrophobicContact CB-CE2 3.91Å; D34-Y59 PolarHBondContact N-OH 3.24Å; D34-Y59 WeakPolarHBondContact OD2-CE2 3.34Å; D34-K62 IonicContact OD1-NZ 2.75Å; D34-K62 PolarHBondContact OD1-NZ 3.05Å; D34-K62 IonicContact OD2-NZ 3.24Å; D34-Y63 PolarHBondContact N-OH 2.97Å; D34-Y63 PolarHBondContact OD1-OH 3.5Å; D34-Y63 VanDerWaalsContact OD1-OH 3.07Å |
| 35 | A | 90.3 | Very high | 87.7 | Confident | 93 Ų | 93 | 48.4 Ų | 48.4 | 77% | 0.769 | 27% | 0.27 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 118.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 36 | P | 89.5 | Confident | 86.3 | Confident | 21 Ų | 21 | 51.2 Ų | 51.2 | 14% | 0.136 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 135.5 | -176.8 | 24.4 | -33.5 | 0 | 0 | 0 | 112.6 | F23 D34 Y74 | F23-P36 HydrophobicContact CB-CG 4.03Å; F23-P36 HydrophobicContact CD1-CB 3.67Å; F23-P36 HydrophobicContact CD1-CG 3.3Å; F23-P36 HydrophobicContact CE1-CB 3.66Å; F23-P36 HydrophobicContact CE1-CG 3.87Å; F23-P36 HydrophobicContact CG-CG 3.89Å; D34-P36 VanDerWaalsContact O-CD 3.26Å; D34-P36 WeakPolarHBondContact O-CD 3.42Å; D34-P36 VanDerWaalsContact O-N 3.13Å; P36-Y74 HydrophobicContact CB-CD1 4.4Å; P36-Y74 HydrophobicContact CB-CD2 3.52Å; P36-Y74 HydrophobicContact CB-CE2 4.1Å; P36-Y74 HydrophobicContact CB-CG 3.68Å; P36-Y74 HydrophobicContact CG-CD2 3.59Å; P36-Y74 HydrophobicContact CG-CE2 3.61Å; P36-Y74 HydrophobicContact CG-CG 4.06Å |
| 37 | H | 87.7 | Confident | 84.8 | Confident | 51 Ų | 51 | 59.1 Ų | 59.1 | 24% | 0.236 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -68.6 | 140.3 | 170 | 180 | -76.6 | 0 | 0 | 0 | 110.6 | F23 L39 Y40 G41 V44 | F23-H37 WeakPolarHBondContact CE1-O 3.49Å; H37-L39 VanDerWaalsContact C-N 3.31Å; H37-L39 PolarHBondContact ND1-N 3.35Å; H37-L39 VanDerWaalsContact ND1-N 3.19Å; H37-L39 PolarHBondContact O-N 3.21Å; H37-L39 VanDerWaalsContact O-N 3.07Å; H37-Y40 AromaticContact CE1-CD2 3.81Å; H37-Y40 AromaticContact ND1-CD2 3.73Å; H37-Y40 PolarHBondContact O-N 3.07Å; H37-G41 WeakPolarHBondContact CB-O 3.48Å; H37-G41 PolarHBondContact N-O 2.8Å; H37-G41 WeakPolarHBondContact O-CA 2.93Å; H37-G41 PolarHBondContact O-N 2.69Å; H37-V44 HydrophobicContact CB-CG2 3.36Å |
| 38 | P | 79.8 | Confident | 83.6 | Confident | 75 Ų | 75 | 61.6 Ų | 61.6 | 49% | 0.487 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -38.8 | -171.8 | -29.3 | 33.5 | 0 | 0 | 0 | 117.1 | Y19 | Y19-P38 HydrophobicContact CE2-CB 4.27Å; Y19-P38 WeakPolarHBondContact OH-CA 3.18Å; Y19-P38 WeakPolarHBondContact OH-CB 2.8Å; Y19-P38 WeakPolarHBondContact OH-CG 3.3Å |
| 39 | L | 76.9 | Confident | 82.6 | Confident | 128 Ų | 128 | 60.5 Ų | 60.5 | 67% | 0.67 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -32.5 | -179.7 | -63.6 | 175.9 | 0 | 0 | 0 | 114.7 | H37 | H37-L39 VanDerWaalsContact C-N 3.31Å; H37-L39 PolarHBondContact ND1-N 3.35Å; H37-L39 VanDerWaalsContact ND1-N 3.19Å; H37-L39 PolarHBondContact O-N 3.21Å; H37-L39 VanDerWaalsContact O-N 3.07Å |
| 40 | Y | 80.2 | Confident | 82.1 | Confident | 63 Ų | 63 | 60.7 Ų | 60.7 | 25% | 0.247 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | -5.1 | -168 | -65.4 | -75.6 | 0 | 0 | 0 | 112.8 | H37 N42 M43 R47 L76 | H37-Y40 AromaticContact CE1-CD2 3.81Å; H37-Y40 AromaticContact ND1-CD2 3.73Å; H37-Y40 PolarHBondContact O-N 3.07Å; Y40-N42 PolarHBondContact O-N 3.47Å; Y40-M43 WeakPolarHBondContact O-CA 3.17Å; Y40-M43 WeakPolarHBondContact O-CB 3.36Å; Y40-M43 WeakPolarHBondContact O-CG 3.38Å; Y40-M43 PolarHBondContact O-N 3.25Å; Y40-R47 HydrophobicContact CD2-CB 4.44Å; Y40-R47 HydrophobicContact CE2-CB 4.22Å; Y40-R47 HydrophobicContact CE2-CG 4.47Å; Y40-L76 HydrophobicContact CD1-CD2 4.43Å |
| 41 | G | 87 | Confident | 81.7 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | 59.5 | -130.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | H37 M43 V44 L76 | H37-G41 WeakPolarHBondContact CB-O 3.48Å; H37-G41 PolarHBondContact N-O 2.8Å; H37-G41 WeakPolarHBondContact O-CA 2.93Å; H37-G41 PolarHBondContact O-N 2.69Å; G41-M43 VanDerWaalsContact C-N 3.3Å; G41-V44 WeakPolarHBondContact O-CG2 3.48Å; G41-L76 WeakPolarHBondContact CA-O 3.27Å; G41-L76 PolarHBondContact N-O 2.86Å |
| 42 | N | 87.4 | Confident | 81.3 | Confident | 18 Ų | 18 | 59.7 Ų | 59.7 | 10% | 0.096 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -0.4 | 172.1 | -57.1 | 115 | 0 | 0 | 0 | 112.7 | D34 Y40 V44 F73 Y74 | D34-N42 VanDerWaalsContact CB-ND2 3.28Å; D34-N42 WeakPolarHBondContact CB-ND2 3.21Å; D34-N42 PolarHBondContact O-ND2 2.69Å; Y40-N42 PolarHBondContact O-N 3.47Å; N42-V44 PolarHBondContact O-N 2.97Å; N42-F73 HydrophobicContact CB-CD2 3.73Å; N42-F73 HydrophobicContact CB-CE2 3.5Å; N42-F73 HydrophobicContact CB-CG 4.33Å; N42-F73 HydrophobicContact CB-CZ 3.93Å; N42-Y74 PolarHBondContact N-O 3.35Å; N42-Y74 WeakPolarHBondContact OD1-CB 3.48Å; N42-Y74 WeakPolarHBondContact OD1-CD2 3.48Å; N42-Y74 PolarHBondContact OD1-N 3.33Å |
| 43 | M | 79.6 | Confident | 81 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.015 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -78.3 | 23.9 | 175.5 | -46.5 | -65.1 | -60.1 | 0 | 0 | 113 | Y40 G41 G45 F46 F55 F73 F75 | Y40-M43 WeakPolarHBondContact O-CA 3.17Å; Y40-M43 WeakPolarHBondContact O-CB 3.36Å; Y40-M43 WeakPolarHBondContact O-CG 3.38Å; Y40-M43 PolarHBondContact O-N 3.25Å; G41-M43 VanDerWaalsContact C-N 3.3Å; M43-G45 PolarHBondContact O-N 2.96Å; M43-F46 HydrophobicContact CB-CD2 3.95Å; M43-F46 HydrophobicContact CE-CD2 3.54Å; M43-F46 HydrophobicContact CE-CE2 3.09Å; M43-F46 HydrophobicContact CE-CZ 4.07Å; M43-F46 WeakPolarHBondContact O-CB 3.49Å; M43-F46 PolarHBondContact O-N 3.25Å; M43-F55 HydrophobicContact CE-CE1 4.16Å; M43-F55 HydrophobicContact CE-CE2 3.86Å; M43-F55 HydrophobicContact CE-CZ 3.33Å; M43-F55 HydrophobicContact SD-CE2 4.06Å; M43-F55 HydrophobicContact SD-CZ 4.15Å; M43-F73 HydrophobicContact CG-CE1 4.47Å; M43-F73 HydrophobicContact SD-CE1 3.39Å; M43-F73 WeakPolarHBondContact SD-CE1 3.41Å; M43-F73 HydrophobicContact SD-CZ 3.34Å; M43-F73 WeakPolarHBondContact SD-CZ 3.41Å; M43-F75 HydrophobicContact CE-CD2 3.91Å; M43-F75 HydrophobicContact CE-CE2 3.57Å; M43-F75 HydrophobicContact CE-CZ 4.33Å; M43-F75 HydrophobicContact CG-CD2 4.25Å; M43-F75 HydrophobicContact CG-CG 4.49Å; M43-F75 HydrophobicContact SD-CD2 3.51Å; M43-F75 VanDerWaalsContact SD-CD2 3.51Å; M43-F75 HydrophobicContact SD-CE2 3.84Å; M43-F75 HydrophobicContact SD-CG 4.24Å |
| 44 | V | 72 | Confident | 80.7 | Confident | 44 Ų | 44 | 59.9 Ų | 59.9 | 27% | 0.267 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -59.1 | -24.9 | -176.9 | -175.8 | 0 | 0 | 0 | 0 | 112 | H37 G41 N42 F46 R47 K48 | H37-V44 HydrophobicContact CB-CG2 3.36Å; G41-V44 WeakPolarHBondContact O-CG2 3.48Å; N42-V44 PolarHBondContact O-N 2.97Å; V44-F46 PolarHBondContact O-N 2.86Å; V44-R47 WeakPolarHBondContact O-CB 3.2Å; V44-R47 PolarHBondContact O-N 3.18Å; V44-K48 PolarHBondContact O-N 3.3Å |
| 45 | G | 65.4 | Low | 80.5 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 7% | 0.072 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -52 | -35.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | M43 R47 K48 N49 R50 | M43-G45 PolarHBondContact O-N 2.96Å; G45-R47 VanDerWaalsContact C-N 3.29Å; G45-R47 PolarHBondContact O-N 3Å; G45-K48 CarbonylContact O-C 3.57Å; G45-K48 WeakPolarHBondContact O-CA 3.39Å; G45-K48 PolarHBondContact O-N 3.31Å; G45-N49 PolarHBondContact O-N 3.47Å; G45-R50 WeakPolarHBondContact O-CB 3.41Å; G45-R50 PolarHBondContact O-N 2.69Å |
| 46 | F | 65.4 | Low | 80.6 | Confident | 77 Ų | 77 | 53.8 Ų | 53.8 | 34% | 0.338 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -62.3 | -34.4 | 176.6 | -85.2 | -95 | 0 | 0 | 0 | 113 | M43 V44 K48 N49 M52 F55 | M43-F46 HydrophobicContact CB-CD2 3.95Å; M43-F46 HydrophobicContact CE-CD2 3.54Å; M43-F46 HydrophobicContact CE-CE2 3.09Å; M43-F46 HydrophobicContact CE-CZ 4.07Å; M43-F46 WeakPolarHBondContact O-CB 3.49Å; M43-F46 PolarHBondContact O-N 3.25Å; V44-F46 PolarHBondContact O-N 2.86Å; F46-K48 VanDerWaalsContact C-N 3.27Å; F46-K48 PolarHBondContact O-N 3.04Å; F46-N49 PolarHBondContact O-N 3.44Å; F46-M52 HydrophobicContact CE2-CE 4.11Å; F46-M52 HydrophobicContact CZ-CE 3.61Å; F46-F55 AromaticContact CD2-CE1 3.85Å; F46-F55 HydrophobicContact CD2-CE1 3.85Å; F46-F55 HydrophobicContact CD2-CZ 4.27Å; F46-F55 AromaticContact CE2-CE1 3.4Å; F46-F55 HydrophobicContact CE2-CE1 3.4Å; F46-F55 AromaticContact CE2-CZ 3.67Å; F46-F55 HydrophobicContact CE2-CZ 3.67Å; F46-F55 HydrophobicContact CZ-CE1 4.36Å |
| 47 | R | 63.8 | Low | 80.8 | Confident | 166 Ų | 166 | 55.4 Ų | 55.4 | 63% | 0.626 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -68.1 | -31.1 | 174.2 | -179 | -179.1 | 171.3 | -179.1 | -1.3 | 111.6 | Y40 V44 G45 N49 | Y40-R47 HydrophobicContact CD2-CB 4.44Å; Y40-R47 HydrophobicContact CE2-CB 4.22Å; Y40-R47 HydrophobicContact CE2-CG 4.47Å; V44-R47 WeakPolarHBondContact O-CB 3.2Å; V44-R47 PolarHBondContact O-N 3.18Å; G45-R47 VanDerWaalsContact C-N 3.29Å; G45-R47 PolarHBondContact O-N 3Å; R47-N49 VanDerWaalsContact C-N 3.29Å |
| 48 | K | 67.7 | Low | 81.1 | Confident | 154 Ų | 154 | 56.7 Ų | 56.7 | 67% | 0.67 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -90 | 12.3 | -179.4 | -63.3 | -173 | 179.5 | -176.4 | 0 | 112.9 | V44 G45 F46 R50 | V44-K48 PolarHBondContact O-N 3.3Å; G45-K48 CarbonylContact O-C 3.57Å; G45-K48 WeakPolarHBondContact O-CA 3.39Å; G45-K48 PolarHBondContact O-N 3.31Å; F46-K48 VanDerWaalsContact C-N 3.27Å; F46-K48 PolarHBondContact O-N 3.04Å; K48-R50 HydrophobicContact CB-CG 4.08Å; K48-R50 PolarHBondContact O-N 3.46Å |
| 49 | N | 73.9 | Confident | 81.8 | Confident | 113 Ų | 113 | 53.7 Ų | 53.7 | 60% | 0.604 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 35.4 | -174.8 | -69.9 | -25.1 | 0 | 0 | 0 | 112.8 | G45 F46 R47 P488 | G45-N49 PolarHBondContact O-N 3.47Å; F46-N49 PolarHBondContact O-N 3.44Å; R47-N49 VanDerWaalsContact C-N 3.29Å; N49-P488 VanDerWaalsContact C-CB 3.43Å; N49-P488 HydrophobicContact CB-CB 4.33Å; N49-P488 HydrophobicContact CB-CG 3.94Å; N49-P488 VanDerWaalsContact O-CB 3.27Å; N49-P488 WeakPolarHBondContact O-CB 3.21Å |
| 50 | R | 81.8 | Confident | 82.7 | Confident | 78 Ų | 78 | 47.9 Ų | 47.9 | 29% | 0.294 | 22% | 0.22 | S | C | . | . | trans | -84.8 | 148.6 | 173.1 | -65 | -173.9 | 66 | -173.5 | 1.6 | 110.8 | G45 K48 D54 D58 | G45-R50 WeakPolarHBondContact O-CB 3.41Å; G45-R50 PolarHBondContact O-N 2.69Å; K48-R50 HydrophobicContact CB-CG 4.08Å; K48-R50 PolarHBondContact O-N 3.46Å; R50-D54 VanDerWaalsContact NH2-CB 3.28Å; R50-D58 IonicContact CZ-OD2 3.67Å; R50-D58 IonicContact NH1-OD2 3.07Å; R50-D58 PolarHBondContact NH1-OD2 3.28Å; R50-D58 IonicContact NH2-OD1 3.4Å; R50-D58 IonicContact NH2-OD2 3.93Å; R50-D58 PolarHBondContact NH2-OD2 3.37Å | ||
| 51 | V | 86.6 | Confident | 83.5 | Confident | 15 Ų | 15 | 47.3 Ų | 47.3 | 9% | 0.091 | 22% | 0.221 | C | C | . | . | trans | -79.4 | 151.7 | 179.8 | -178.2 | 0 | 0 | 0 | 0 | 109.3 | H53 D54 F55 Y486 L493 | V51-H53 HydrophobicContact CG1-CB 4.25Å; V51-H53 PolarHBondContact O-N 3.2Å; V51-D54 PolarHBondContact O-N 2.67Å; V51-F55 WeakPolarHBondContact O-CD1 3.31Å; V51-Y486 WeakPolarHBondContact CG2-O 3.43Å; V51-L493 HydrophobicContact CG1-CD1 4.03Å | ||
| 52 | M | 87.4 | Confident | 83.9 | Confident | 26 Ų | 26 | 53.1 Ų | 53.1 | 13% | 0.128 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.9 | -35.4 | -177 | -172.3 | 175 | -68.3 | 0 | 0 | 114.1 | F46 F55 F56 P377 H378 | F46-M52 HydrophobicContact CE2-CE 4.11Å; F46-M52 HydrophobicContact CZ-CE 3.61Å; M52-F55 HydrophobicContact CB-CE1 3.93Å; M52-F55 HydrophobicContact CB-CZ 4.27Å; M52-F55 HydrophobicContact CG-CE1 3.89Å; M52-F55 HydrophobicContact CG-CZ 3.71Å; M52-F56 HydrophobicContact CG-CD2 3.53Å; M52-F56 HydrophobicContact CG-CE2 3.22Å; M52-F56 HydrophobicContact CG-CZ 4.05Å; M52-F56 WeakPolarHBondContact O-CB 3.45Å; M52-F56 WeakPolarHBondContact O-CD2 3.41Å; M52-F56 PolarHBondContact O-N 3.1Å; M52-F56 HydrophobicContact SD-CD2 4.34Å; M52-F56 HydrophobicContact SD-CE2 3.52Å; M52-F56 VanDerWaalsContact SD-CE2 3.52Å; M52-F56 HydrophobicContact SD-CZ 4.21Å; M52-P377 HydrophobicContact CB-CG 3.99Å; M52-P377 HydrophobicContact CG-CB 4.35Å; M52-P377 HydrophobicContact CG-CG 3.67Å; M52-P377 HydrophobicContact SD-CG 3.51Å; M52-P377 VanDerWaalsContact SD-CG 3.51Å; M52-H378 PolarHBondContact SD-CE1 3.32Å; M52-H378 PolarHBondContact SD-ND1 3.01Å; M52-H378 VanDerWaalsContact SD-ND1 3.37Å |
| 53 | H | 90.8 | Very high | 84.4 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 5% | 0.046 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54.6 | -54.5 | 173.8 | -129.9 | -88.2 | 0 | 0 | 0 | 111.7 | V51 F55 F56 Y57 T374 C408 L493 | V51-H53 HydrophobicContact CG1-CB 4.25Å; V51-H53 PolarHBondContact O-N 3.2Å; H53-F55 PolarHBondContact O-N 3.44Å; H53-F56 PolarHBondContact O-N 2.8Å; H53-Y57 VanDerWaalsContact O-CB 3.25Å; H53-Y57 WeakPolarHBondContact O-CB 3.38Å; H53-Y57 PolarHBondContact O-N 3.03Å; H53-T374 WeakPolarHBondContact NE2-CB 3.49Å; H53-C408 WeakPolarHBondContact CE1-CB 3.43Å; H53-C408 WeakPolarHBondContact ND1-CB 3.49Å; H53-C408 WeakPolarHBondContact NE2-CB 3.05Å; H53-L493 HydrophobicContact CB-CD1 4.43Å |
| 54 | D | 89 | Confident | 85.1 | Confident | 67 Ų | 67 | 55 Ų | 55 | 36% | 0.358 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | -170.3 | -47.4 | -23 | 0 | 0 | 0 | 112.3 | R50 V51 Y57 D58 | R50-D54 VanDerWaalsContact NH2-CB 3.28Å; V51-D54 PolarHBondContact O-N 2.67Å; D54-Y57 PolarHBondContact O-N 2.74Å; D54-D58 VanDerWaalsContact O-CG 3.25Å; D54-D58 PolarHBondContact O-N 2.87Å |
| 55 | F | 87.8 | Confident | 86.2 | Confident | 13 Ų | 13 | 59.9 Ų | 59.9 | 6% | 0.057 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -76.9 | -30.6 | -176.3 | 78 | -105.5 | 0 | 0 | 0 | 112.2 | M43 F46 V51 M52 H53 Y59 F73 | M43-F55 HydrophobicContact CE-CE1 4.16Å; M43-F55 HydrophobicContact CE-CE2 3.86Å; M43-F55 HydrophobicContact CE-CZ 3.33Å; M43-F55 HydrophobicContact SD-CE2 4.06Å; M43-F55 HydrophobicContact SD-CZ 4.15Å; F46-F55 AromaticContact CD2-CE1 3.85Å; F46-F55 HydrophobicContact CD2-CE1 3.85Å; F46-F55 HydrophobicContact CD2-CZ 4.27Å; F46-F55 AromaticContact CE2-CE1 3.4Å; F46-F55 HydrophobicContact CE2-CE1 3.4Å; F46-F55 AromaticContact CE2-CZ 3.67Å; F46-F55 HydrophobicContact CE2-CZ 3.67Å; F46-F55 HydrophobicContact CZ-CE1 4.36Å; V51-F55 WeakPolarHBondContact O-CD1 3.31Å; M52-F55 HydrophobicContact CB-CE1 3.93Å; M52-F55 HydrophobicContact CB-CZ 4.27Å; M52-F55 HydrophobicContact CG-CE1 3.89Å; M52-F55 HydrophobicContact CG-CZ 3.71Å; H53-F55 PolarHBondContact O-N 3.44Å; F55-Y59 VanDerWaalsContact O-CB 3.27Å; F55-Y59 WeakPolarHBondContact O-CB 3.44Å; F55-Y59 PolarHBondContact O-N 2.92Å; F55-F73 HydrophobicContact CE2-CZ 4.17Å |
| 56 | F | 93 | Very high | 87.5 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.1 | -38 | 170.9 | -75.4 | -32.4 | 0 | 0 | 0 | 111.6 | M52 H53 Y59 Y60 F73 F82 H378 I404 P406 | M52-F56 HydrophobicContact CG-CD2 3.53Å; M52-F56 HydrophobicContact CG-CE2 3.22Å; M52-F56 HydrophobicContact CG-CZ 4.05Å; M52-F56 WeakPolarHBondContact O-CB 3.45Å; M52-F56 WeakPolarHBondContact O-CD2 3.41Å; M52-F56 PolarHBondContact O-N 3.1Å; M52-F56 HydrophobicContact SD-CD2 4.34Å; M52-F56 HydrophobicContact SD-CE2 3.52Å; M52-F56 VanDerWaalsContact SD-CE2 3.52Å; M52-F56 HydrophobicContact SD-CZ 4.21Å; H53-F56 PolarHBondContact O-N 2.8Å; F56-Y59 PolarHBondContact O-N 3.49Å; F56-Y60 WeakPolarHBondContact O-CB 3.28Å; F56-Y60 PolarHBondContact O-N 3.46Å; F56-F73 HydrophobicContact CE1-CE1 4.35Å; F56-F73 HydrophobicContact CE1-CE2 4.39Å; F56-F73 AromaticContact CE1-CZ 3.89Å; F56-F73 HydrophobicContact CE1-CZ 3.89Å; F56-F82 HydrophobicContact CB-CE2 4.41Å; F56-F82 HydrophobicContact CB-CZ 4.39Å; F56-F82 HydrophobicContact CD1-CD2 4.42Å; F56-F82 AromaticContact CD1-CE2 3.5Å; F56-F82 HydrophobicContact CD1-CE2 3.5Å; F56-F82 VanDerWaalsContact CD1-CE2 3.5Å; F56-F82 HydrophobicContact CD1-CZ 4.25Å; F56-F82 AromaticContact CE1-CE2 3.97Å; F56-F82 HydrophobicContact CE1-CE2 3.97Å; F56-F82 HydrophobicContact CG-CE2 4.15Å; F56-H378 HydrophobicContact CD2-CB 4.14Å; F56-H378 HydrophobicContact CE2-CB 3.71Å; F56-H378 AromaticContact CE2-CG 3.47Å; F56-H378 VanDerWaalsContact CE2-CG 3.47Å; F56-H378 AromaticContact CE2-ND1 3.4Å; F56-H378 WeakPolarHBondContact CE2-ND1 3.22Å; F56-H378 HydrophobicContact CZ-CB 4.37Å; F56-H378 AromaticContact CZ-CG 3.96Å; F56-I404 HydrophobicContact CE1-CG2 4.22Å; F56-I404 HydrophobicContact CZ-CG2 4.19Å; F56-P406 HydrophobicContact CB-CB 4.45Å |
| 57 | Y | 93.6 | Very high | 88.9 | Confident | 56 Ų | 56 | 61.2 Ų | 61.2 | 22% | 0.22 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.4 | -49.4 | 173.9 | -177.6 | -112.4 | 0 | 0 | 0 | 112.1 | H53 D54 Y59 Y60 N61 A409 R412 | H53-Y57 VanDerWaalsContact O-CB 3.25Å; H53-Y57 WeakPolarHBondContact O-CB 3.38Å; H53-Y57 PolarHBondContact O-N 3.03Å; D54-Y57 PolarHBondContact O-N 2.74Å; Y57-Y59 VanDerWaalsContact C-N 3.34Å; Y57-Y59 PolarHBondContact O-N 2.82Å; Y57-Y60 PolarHBondContact O-N 3.43Å; Y57-N61 WeakPolarHBondContact CE1-ND2 3.1Å; Y57-N61 VanDerWaalsContact CE2-ND2 3.27Å; Y57-N61 WeakPolarHBondContact CE2-ND2 3.18Å; Y57-N61 WeakPolarHBondContact O-CB 3.48Å; Y57-N61 PolarHBondContact O-N 3.39Å; Y57-N61 PolarHBondContact OH-ND2 3.46Å; Y57-A409 HydrophobicContact CD2-CB 4.28Å; Y57-R412 HydrophobicContact CD2-CB 3.91Å; Y57-R412 HydrophobicContact CE2-CB 3.44Å; Y57-R412 VanDerWaalsContact CE2-CB 3.44Å; Y57-R412 WeakPolarHBondContact CE2-O 3.29Å; Y57-R412 PolarHBondContact OH-O 2.64Å |
| 58 | D | 93.4 | Very high | 90.4 | Very high | 77 Ų | 77 | 56.7 Ų | 56.7 | 41% | 0.412 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 176 | -72.1 | -4.6 | 0 | 0 | 0 | 111.9 | R50 D54 N61 K62 | R50-D58 IonicContact CZ-OD2 3.67Å; R50-D58 IonicContact NH1-OD2 3.07Å; R50-D58 PolarHBondContact NH1-OD2 3.28Å; R50-D58 IonicContact NH2-OD1 3.4Å; R50-D58 IonicContact NH2-OD2 3.93Å; R50-D58 PolarHBondContact NH2-OD2 3.37Å; D54-D58 VanDerWaalsContact O-CG 3.25Å; D54-D58 PolarHBondContact O-N 2.87Å; D58-N61 PolarHBondContact O-N 2.98Å; D58-K62 WeakPolarHBondContact O-CB 3.46Å; D58-K62 PolarHBondContact O-N 3.28Å |
| 59 | Y | 94.8 | Very high | 91.8 | Very high | 13 Ų | 13 | 49.5 Ų | 49.5 | 5% | 0.051 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.6 | -43.9 | -179.9 | -157.9 | -98.1 | 0 | 0 | 0 | 111.1 | D34 F55 F56 Y57 Y63 V71 G72 F73 F82 | D34-Y59 HydrophobicContact CB-CE2 3.91Å; D34-Y59 PolarHBondContact N-OH 3.24Å; D34-Y59 WeakPolarHBondContact OD2-CE2 3.34Å; F55-Y59 VanDerWaalsContact O-CB 3.27Å; F55-Y59 WeakPolarHBondContact O-CB 3.44Å; F55-Y59 PolarHBondContact O-N 2.92Å; F56-Y59 PolarHBondContact O-N 3.49Å; Y57-Y59 VanDerWaalsContact C-N 3.34Å; Y57-Y59 PolarHBondContact O-N 2.82Å; Y59-Y63 HydrophobicContact CD1-CD2 4.13Å; Y59-Y63 HydrophobicContact CD1-CE2 4.43Å; Y59-Y63 HydrophobicContact CD2-CE2 4.33Å; Y59-Y63 AromaticContact CE1-CD2 3.91Å; Y59-Y63 HydrophobicContact CE1-CD2 3.91Å; Y59-Y63 AromaticContact CE1-CE2 3.94Å; Y59-Y63 HydrophobicContact CE1-CE2 3.94Å; Y59-Y63 HydrophobicContact CE2-CD2 4.45Å; Y59-Y63 AromaticContact CE2-CE2 3.83Å; Y59-Y63 HydrophobicContact CE2-CE2 3.83Å; Y59-Y63 AromaticContact CZ-CE2 3.6Å; Y59-Y63 VanDerWaalsContact O-CD2 3.31Å; Y59-Y63 WeakPolarHBondContact O-CD2 3.47Å; Y59-Y63 PolarHBondContact O-N 2.9Å; Y59-V71 HydrophobicContact CD1-CG2 4.33Å; Y59-V71 HydrophobicContact CE1-CG2 3.69Å; Y59-G72 PolarHBondContact OH-O 3.23Å; Y59-F73 AromaticContact CD1-CD2 3.93Å; Y59-F73 HydrophobicContact CD1-CD2 3.93Å; Y59-F73 HydrophobicContact CD1-CE2 4.42Å; Y59-F73 HydrophobicContact CD2-CD2 4.39Å; Y59-F73 HydrophobicContact CD2-CE2 4.43Å; Y59-F73 HydrophobicContact CE1-CB 4.4Å; Y59-F73 AromaticContact CE1-CD2 3.68Å; Y59-F73 HydrophobicContact CE1-CD2 3.68Å; Y59-F73 HydrophobicContact CE2-CD2 4.17Å; Y59-F73 HydrophobicContact CG-CD2 4.27Å; Y59-F73 HydrophobicContact CG-CE2 4.37Å; Y59-F73 AromaticContact CZ-CD2 3.82Å; Y59-F82 AromaticContact CD1-CD1 3.81Å; Y59-F82 HydrophobicContact CD1-CD1 3.81Å; Y59-F82 HydrophobicContact CD1-CD2 4.28Å; Y59-F82 AromaticContact CD1-CE1 3.93Å; Y59-F82 HydrophobicContact CD1-CE1 3.93Å; Y59-F82 HydrophobicContact CD1-CE2 4.4Å; Y59-F82 AromaticContact CD1-CG 3.98Å; Y59-F82 HydrophobicContact CD1-CG 3.98Å; Y59-F82 HydrophobicContact CD1-CZ 4.21Å; Y59-F82 HydrophobicContact CE1-CB 4.36Å; Y59-F82 HydrophobicContact CE1-CD1 4.28Å; Y59-F82 HydrophobicContact CE1-CG 4.23Å |
| 60 | Y | 96.8 | Very high | 93 | Very high | 6 Ų | 6 | 44.1 Ų | 44.1 | 2% | 0.024 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.1 | -53.5 | 175.1 | 176.6 | -103 | 0 | 0 | 0 | 111.5 | F56 Y57 K62 Y63 R64 F82 V84 P406 A409 Y410 D413 | F56-Y60 WeakPolarHBondContact O-CB 3.28Å; F56-Y60 PolarHBondContact O-N 3.46Å; Y57-Y60 PolarHBondContact O-N 3.43Å; Y60-K62 PolarHBondContact O-N 2.8Å; Y60-Y63 CarbonylContact O-C 3.44Å; Y60-Y63 PolarHBondContact O-N 3.49Å; Y60-R64 HydrophobicContact CD1-CB 4.22Å; Y60-R64 HydrophobicContact CD2-CB 4.28Å; Y60-R64 HydrophobicContact CE1-CB 3.82Å; Y60-R64 HydrophobicContact CE1-CG 4.16Å; Y60-R64 HydrophobicContact CE2-CB 3.85Å; Y60-R64 HydrophobicContact CG-CB 4.44Å; Y60-R64 WeakPolarHBondContact O-CB 3.44Å; Y60-R64 PolarHBondContact O-N 2.99Å; Y60-F82 HydrophobicContact CD2-CE1 4.36Å; Y60-V84 HydrophobicContact CD2-CB 4.27Å; Y60-V84 HydrophobicContact CD2-CG1 4.14Å; Y60-V84 HydrophobicContact CE2-CB 4.11Å; Y60-V84 HydrophobicContact CE2-CG1 4.48Å; Y60-V84 WeakPolarHBondContact CE2-O 3.37Å; Y60-P406 HydrophobicContact CD2-CG 4.03Å; Y60-A409 VanDerWaalsContact CB-CB 3.5Å; Y60-A409 HydrophobicContact CD1-CB 3.64Å; Y60-A409 HydrophobicContact CD2-CB 4.26Å; Y60-A409 HydrophobicContact CE1-CB 4.44Å; Y60-A409 HydrophobicContact CG-CB 3.53Å; Y60-Y410 HydrophobicContact CD2-CD1 4.35Å; Y60-Y410 HydrophobicContact CD2-CE1 4.11Å; Y60-Y410 AromaticContact CE2-CD1 3.76Å; Y60-Y410 HydrophobicContact CE2-CD1 3.76Å; Y60-Y410 AromaticContact CE2-CE1 3.53Å; Y60-Y410 HydrophobicContact CE2-CE1 3.53Å; Y60-Y410 AromaticContact CZ-CD1 3.93Å; Y60-D413 HydrophobicContact CE1-CB 4.05Å; Y60-D413 PolarHBondContact OH-OD2 3.36Å |
| 61 | N | 96.1 | Very high | 93.8 | Very high | 50 Ų | 50 | 40.4 Ų | 40.4 | 27% | 0.267 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.2 | -32.6 | -177.8 | -80.5 | -26 | 0 | 0 | 0 | 113.4 | Y57 D58 Y63 R64 | Y57-N61 WeakPolarHBondContact CE1-ND2 3.1Å; Y57-N61 VanDerWaalsContact CE2-ND2 3.27Å; Y57-N61 WeakPolarHBondContact CE2-ND2 3.18Å; Y57-N61 WeakPolarHBondContact O-CB 3.48Å; Y57-N61 PolarHBondContact O-N 3.39Å; Y57-N61 PolarHBondContact OH-ND2 3.46Å; D58-N61 PolarHBondContact O-N 2.98Å; N61-Y63 VanDerWaalsContact C-N 3.26Å; N61-Y63 PolarHBondContact O-N 3.38Å; N61-R64 PolarHBondContact OD1-NH1 3.49Å |
| 62 | K | 96.1 | Very high | 94.3 | Very high | 123 Ų | 123 | 39.7 Ų | 39.7 | 54% | 0.535 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.7 | -34.6 | 174 | -179.2 | 174.6 | 179.6 | 175 | 0 | 112.9 | D34 D58 Y60 | D34-K62 IonicContact OD1-NZ 2.75Å; D34-K62 PolarHBondContact OD1-NZ 3.05Å; D34-K62 IonicContact OD2-NZ 3.24Å; D58-K62 WeakPolarHBondContact O-CB 3.46Å; D58-K62 PolarHBondContact O-N 3.28Å; Y60-K62 PolarHBondContact O-N 2.8Å |
| 63 | Y | 96.9 | Very high | 94.7 | Very high | 22 Ų | 22 | 38.4 Ų | 38.4 | 9% | 0.086 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -115.4 | -13.3 | -169.9 | -69.9 | -67.8 | 0 | 0 | 0 | 115 | P32 H33 D34 Y59 Y60 N61 K65 S66 V71 | P32-Y63 HydrophobicContact CB-CD1 4.24Å; P32-Y63 HydrophobicContact CB-CE1 3.91Å; H33-Y63 PolarHBondContact O-OH 2.9Å; D34-Y63 PolarHBondContact N-OH 2.97Å; D34-Y63 PolarHBondContact OD1-OH 3.5Å; D34-Y63 VanDerWaalsContact OD1-OH 3.07Å; Y59-Y63 HydrophobicContact CD1-CD2 4.13Å; Y59-Y63 HydrophobicContact CD1-CE2 4.43Å; Y59-Y63 HydrophobicContact CD2-CE2 4.33Å; Y59-Y63 AromaticContact CE1-CD2 3.91Å; Y59-Y63 HydrophobicContact CE1-CD2 3.91Å; Y59-Y63 AromaticContact CE1-CE2 3.94Å; Y59-Y63 HydrophobicContact CE1-CE2 3.94Å; Y59-Y63 HydrophobicContact CE2-CD2 4.45Å; Y59-Y63 AromaticContact CE2-CE2 3.83Å; Y59-Y63 HydrophobicContact CE2-CE2 3.83Å; Y59-Y63 AromaticContact CZ-CE2 3.6Å; Y59-Y63 VanDerWaalsContact O-CD2 3.31Å; Y59-Y63 WeakPolarHBondContact O-CD2 3.47Å; Y59-Y63 PolarHBondContact O-N 2.9Å; Y60-Y63 CarbonylContact O-C 3.44Å; Y60-Y63 PolarHBondContact O-N 3.49Å; N61-Y63 VanDerWaalsContact C-N 3.26Å; N61-Y63 PolarHBondContact O-N 3.38Å; Y63-K65 PolarHBondContact O-N 2.96Å; Y63-S66 WeakPolarHBondContact O-CB 3.27Å; Y63-S66 PolarHBondContact O-N 3.29Å; Y63-S66 PolarHBondContact O-OG 2.87Å; Y63-V71 HydrophobicContact CD1-CB 4.49Å; Y63-V71 HydrophobicContact CD1-CG1 3.79Å; Y63-V71 HydrophobicContact CD2-CB 4.44Å; Y63-V71 HydrophobicContact CD2-CG1 4.45Å; Y63-V71 HydrophobicContact CD2-CG2 3.92Å; Y63-V71 HydrophobicContact CG-CB 4.22Å; Y63-V71 HydrophobicContact CG-CG1 3.75Å; Y63-V71 HydrophobicContact CG-CG2 3.97Å |
| 64 | R | 95.2 | Very high | 94.7 | Very high | 38 Ų | 38 | 38 Ų | 38 | 14% | 0.143 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -27.1 | -174.3 | 76.1 | 176.4 | -143.4 | -127.5 | -4.1 | 113.5 | Y60 N61 D413 E414 D415 | Y60-R64 HydrophobicContact CD1-CB 4.22Å; Y60-R64 HydrophobicContact CD2-CB 4.28Å; Y60-R64 HydrophobicContact CE1-CB 3.82Å; Y60-R64 HydrophobicContact CE1-CG 4.16Å; Y60-R64 HydrophobicContact CE2-CB 3.85Å; Y60-R64 HydrophobicContact CG-CB 4.44Å; Y60-R64 WeakPolarHBondContact O-CB 3.44Å; Y60-R64 PolarHBondContact O-N 2.99Å; N61-R64 PolarHBondContact OD1-NH1 3.49Å; R64-D413 IonicContact CZ-OD1 2.64Å; R64-D413 IonicContact NE-OD1 3.85Å; R64-D413 PolarHBondContact NE-OD1 3.31Å; R64-D413 IonicContact NE-OD2 2.64Å; R64-D413 IonicContact NH1-OD1 2.78Å; R64-D413 PolarHBondContact NH1-OD1 3.42Å; R64-D413 IonicContact NH2-OD1 2.71Å; R64-D413 PolarHBondContact NH2-OD1 3.21Å; R64-E414 IonicContact CZ-OE1 3.53Å; R64-E414 IonicContact NH1-OE1 3.56Å; R64-E414 IonicContact NH2-OE1 2.81Å; R64-E414 PolarHBondContact NH2-OE1 3.42Å; R64-D415 IonicContact CZ-OD2 3.72Å; R64-D415 IonicContact NE-OD2 3.17Å; R64-D415 PolarHBondContact NE-OD2 3.35Å; R64-D415 IonicContact NH2-OD1 2.65Å; R64-D415 IonicContact NH2-OD2 3.76Å; R64-D415 PolarHBondContact NH2-OD2 2.95Å |
| 65 | K | 94.3 | Very high | 94.6 | Very high | 147 Ų | 147 | 37.4 Ų | 37.4 | 64% | 0.639 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 15 | 176 | -57.8 | -172.5 | 178 | 174.1 | 0 | 113.6 | Y63 G67 E414 D415 | Y63-K65 PolarHBondContact O-N 2.96Å; K65-G67 VanDerWaalsContact C-N 3.3Å; K65-G67 PolarHBondContact O-N 3.25Å; K65-E414 IonicContact NZ-OE1 3.77Å; K65-D415 WeakPolarHBondContact CE-OD2 3.38Å; K65-D415 IonicContact NZ-OD2 2.64Å |
| 66 | S | 94.1 | Very high | 94.4 | Very high | 45 Ų | 45 | 37.4 Ų | 37.4 | 32% | 0.315 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -79.1 | -10 | -177.5 | 77.5 | 0 | 0 | 0 | 0 | 114.2 | Y63 F68 | Y63-S66 WeakPolarHBondContact O-CB 3.27Å; Y63-S66 PolarHBondContact O-N 3.29Å; Y63-S66 PolarHBondContact O-OG 2.87Å; S66-F68 WeakPolarHBondContact O-CD2 3.47Å; S66-F68 PolarHBondContact O-N 2.94Å; S66-F68 PolarHBondContact OG-N 3.42Å |
| 67 | G | 93.4 | Very high | 93.9 | Very high | 66 Ų | 66 | 39.3 Ų | 39.3 | 68% | 0.68 | 20% | 0.2 | S | C | * | . | S | Bend | trans | 75.4 | 7.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | K65 | K65-G67 VanDerWaalsContact C-N 3.3Å; K65-G67 PolarHBondContact O-N 3.25Å |
| 68 | F | 96.8 | Very high | 93.6 | Very high | 71 Ų | 71 | 39.3 Ų | 39.3 | 31% | 0.311 | 20% | 0.201 | S | C | . | . | trans | -100.6 | 140 | 172.8 | -73.4 | -104.5 | 0 | 0 | 0 | 109.2 | P32 S66 F70 V84 L395 | P32-F68 VanDerWaalsContact CD-CE1 3.49Å; P32-F68 HydrophobicContact CG-CD1 4.07Å; P32-F68 HydrophobicContact CG-CD2 3.62Å; P32-F68 HydrophobicContact CG-CE1 4Å; P32-F68 HydrophobicContact CG-CE2 3.54Å; P32-F68 HydrophobicContact CG-CG 3.89Å; P32-F68 HydrophobicContact CG-CZ 3.74Å; S66-F68 WeakPolarHBondContact O-CD2 3.47Å; S66-F68 PolarHBondContact O-N 2.94Å; S66-F68 PolarHBondContact OG-N 3.42Å; F68-F70 VanDerWaalsContact C-N 3.3Å; F68-F70 WeakPolarHBondContact CB-O 3.38Å; F68-F70 PolarHBondContact O-N 2.98Å; F68-V84 WeakPolarHBondContact O-CG2 3.49Å; F68-L395 HydrophobicContact CD1-CD1 3.87Å; F68-L395 HydrophobicContact CD1-CD2 4.18Å; F68-L395 HydrophobicContact CE1-CD1 4.5Å; F68-L395 HydrophobicContact CE1-CD2 4.19Å | ||
| 69 | P | 97.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.019 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -74.8 | -22.1 | 179.3 | 31.4 | -37 | 0 | 0 | 0 | 112.8 | V84 D85 L88 V389 L395 | P69-V84 WeakPolarHBondContact O-CG2 3.4Å; P69-V84 PolarHBondContact O-N 2.94Å; P69-D85 HydrophobicContact CB-CB 3.98Å; P69-D85 PolarHBondContact O-N 3.36Å; P69-L88 HydrophobicContact CB-CB 4.31Å; P69-L88 HydrophobicContact CB-CD2 3.82Å; P69-L88 HydrophobicContact CG-CD2 4.35Å; P69-V389 HydrophobicContact CB-CG1 4.2Å; P69-V389 HydrophobicContact CG-CG1 3.73Å; P69-L395 VanDerWaalsContact CD-CD1 3.47Å; P69-L395 HydrophobicContact CG-CD1 3.78Å |
| 70 | F | 98.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 158.4 | 169.5 | 74.4 | -92.3 | 0 | 0 | 0 | 110.4 | W26 V31 F68 A81 F82 I83 L88 V389 L395 I397 | W26-F70 HydrophobicContact CE3-CE2 4.44Å; W26-F70 AromaticContact CH2-CE2 3.99Å; W26-F70 HydrophobicContact CH2-CE2 3.99Å; W26-F70 AromaticContact CZ3-CE2 3.59Å; W26-F70 HydrophobicContact CZ3-CE2 3.59Å; W26-F70 HydrophobicContact CZ3-CZ 4.35Å; V31-F70 HydrophobicContact CG1-CD2 4.16Å; V31-F70 HydrophobicContact CG1-CE2 3.79Å; V31-F70 HydrophobicContact CG2-CE2 4.08Å; V31-F70 HydrophobicContact CG2-CZ 4.26Å; F68-F70 VanDerWaalsContact C-N 3.3Å; F68-F70 WeakPolarHBondContact CB-O 3.38Å; F68-F70 PolarHBondContact O-N 2.98Å; F70-A81 HydrophobicContact CD2-CB 3.82Å; F70-A81 HydrophobicContact CE2-CB 4.24Å; F70-A81 HydrophobicContact CG-CB 4.31Å; F70-F82 CarbonylContact C-O 3.04Å; F70-F82 VanDerWaalsContact CA-O 3.28Å; F70-F82 WeakPolarHBondContact CA-O 3.44Å; F70-F82 WeakPolarHBondContact CB-O 3.29Å; F70-I83 HydrophobicContact CB-CD1 3.69Å; F70-I83 HydrophobicContact CG-CD1 4.49Å; F70-L88 HydrophobicContact CB-CD2 4.13Å; F70-L88 HydrophobicContact CD1-CD2 3.95Å; F70-V389 HydrophobicContact CD1-CG2 3.97Å; F70-V389 HydrophobicContact CE1-CG2 3.67Å; F70-L395 HydrophobicContact CE1-CB 3.88Å; F70-L395 HydrophobicContact CE1-CD1 4.49Å; F70-L395 HydrophobicContact CZ-CB 4.31Å; F70-I397 HydrophobicContact CD1-CD1 4.36Å; F70-I397 HydrophobicContact CD1-CG1 4.24Å; F70-I397 HydrophobicContact CE1-CD1 4.44Å; F70-I397 HydrophobicContact CE1-CG1 3.85Å; F70-I397 HydrophobicContact CZ-CG1 4.08Å |
| 71 | V | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 159.1 | 173.1 | -68.6 | 0 | 0 | 0 | 0 | 110.7 | P32 Y59 Y63 F82 V84 | P32-V71 HydrophobicContact CB-CG1 4.09Å; P32-V71 VanDerWaalsContact O-CB 3.3Å; P32-V71 WeakPolarHBondContact O-CB 3.5Å; Y59-V71 HydrophobicContact CD1-CG2 4.33Å; Y59-V71 HydrophobicContact CE1-CG2 3.69Å; Y63-V71 HydrophobicContact CD1-CB 4.49Å; Y63-V71 HydrophobicContact CD1-CG1 3.79Å; Y63-V71 HydrophobicContact CD2-CB 4.44Å; Y63-V71 HydrophobicContact CD2-CG1 4.45Å; Y63-V71 HydrophobicContact CD2-CG2 3.92Å; Y63-V71 HydrophobicContact CG-CB 4.22Å; Y63-V71 HydrophobicContact CG-CG1 3.75Å; Y63-V71 HydrophobicContact CG-CG2 3.97Å; V71-F82 HydrophobicContact CG2-CB 4.15Å; V71-F82 HydrophobicContact CG2-CD1 4.07Å; V71-F82 PolarHBondContact N-O 3.46Å; V71-F82 PolarHBondContact O-N 3.44Å; V71-V84 HydrophobicContact CG2-CG1 3.98Å |
| 72 | G | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 139.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | W26 V31 P32 H33 Y59 | W26-G72 VanDerWaalsContact CD1-CA 3.44Å; W26-G72 VanDerWaalsContact CE2-CA 3.41Å; W26-G72 VanDerWaalsContact CG-CA 3.49Å; V31-G72 VanDerWaalsContact CG1-N 3.3Å; P32-G72 PolarHBondContact O-N 2.92Å; H33-G72 WeakPolarHBondContact CB-O 3.28Å; Y59-G72 PolarHBondContact OH-O 3.23Å |
| 73 | F | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 155.1 | 174.7 | -173.5 | -92.8 | 0 | 0 | 0 | 109.5 | W26 N42 M43 F55 F56 Y59 F75 P79 A80 F82 I404 | W26-F73 PolarHBondContact NE1-O 3.28Å; N42-F73 HydrophobicContact CB-CD2 3.73Å; N42-F73 HydrophobicContact CB-CE2 3.5Å; N42-F73 HydrophobicContact CB-CG 4.33Å; N42-F73 HydrophobicContact CB-CZ 3.93Å; M43-F73 HydrophobicContact CG-CE1 4.47Å; M43-F73 HydrophobicContact SD-CE1 3.39Å; M43-F73 WeakPolarHBondContact SD-CE1 3.41Å; M43-F73 HydrophobicContact SD-CZ 3.34Å; M43-F73 WeakPolarHBondContact SD-CZ 3.41Å; F55-F73 HydrophobicContact CE2-CZ 4.17Å; F56-F73 HydrophobicContact CE1-CE1 4.35Å; F56-F73 HydrophobicContact CE1-CE2 4.39Å; F56-F73 AromaticContact CE1-CZ 3.89Å; F56-F73 HydrophobicContact CE1-CZ 3.89Å; Y59-F73 AromaticContact CD1-CD2 3.93Å; Y59-F73 HydrophobicContact CD1-CD2 3.93Å; Y59-F73 HydrophobicContact CD1-CE2 4.42Å; Y59-F73 HydrophobicContact CD2-CD2 4.39Å; Y59-F73 HydrophobicContact CD2-CE2 4.43Å; Y59-F73 HydrophobicContact CE1-CB 4.4Å; Y59-F73 AromaticContact CE1-CD2 3.68Å; Y59-F73 HydrophobicContact CE1-CD2 3.68Å; Y59-F73 HydrophobicContact CE2-CD2 4.17Å; Y59-F73 HydrophobicContact CG-CD2 4.27Å; Y59-F73 HydrophobicContact CG-CE2 4.37Å; Y59-F73 AromaticContact CZ-CD2 3.82Å; F73-F75 HydrophobicContact CE1-CB 4.33Å; F73-F75 HydrophobicContact CE1-CD2 4.43Å; F73-P79 CarbonylContact O-C 3.58Å; F73-P79 WeakPolarHBondContact O-CA 3.28Å; F73-A80 WeakPolarHBondContact CA-O 3.28Å; F73-A80 WeakPolarHBondContact CB-O 3.4Å; F73-A80 HydrophobicContact CD1-CB 4.49Å; F73-A80 PolarHBondContact N-O 3.47Å; F73-A80 PolarHBondContact O-N 2.67Å; F73-A80 VanDerWaalsContact O-O 3.07Å; F73-F82 HydrophobicContact CB-CB 3.76Å; F73-F82 HydrophobicContact CD2-CD2 4.24Å; F73-F82 HydrophobicContact CG-CB 4.43Å; F73-F82 HydrophobicContact CG-CD2 4.39Å; F73-I404 HydrophobicContact CD1-CD1 3.56Å; F73-I404 HydrophobicContact CE1-CD1 3.85Å; F73-I404 HydrophobicContact CG-CD1 4.36Å |
| 74 | Y | 92.1 | Very high | 94 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 103.4 | 176.7 | -72.9 | -84.7 | 0 | 0 | 0 | 109.5 | N22 F23 Y25 W26 H33 P36 N42 L76 K78 P79 | N22-Y74 WeakPolarHBondContact O-CE1 3.43Å; N22-Y74 PolarHBondContact O-OH 3.45Å; F23-Y74 VanDerWaalsContact C-OH 3.26Å; F23-Y74 PolarHBondContact O-OH 3.48Å; Y25-Y74 WeakPolarHBondContact CB-OH 3.46Å; Y25-Y74 PolarHBondContact N-OH 3.18Å; W26-Y74 AromaticContact CD1-CE2 3.41Å; W26-Y74 VanDerWaalsContact CD1-CE2 3.41Å; W26-Y74 AromaticContact CD1-CZ 3.56Å; W26-Y74 HydrophobicContact CG-CE2 4.42Å; W26-Y74 PolarHBondContact N-OH 2.85Å; H33-Y74 AromaticContact CD2-CE2 3.99Å; P36-Y74 HydrophobicContact CB-CD1 4.4Å; P36-Y74 HydrophobicContact CB-CD2 3.52Å; P36-Y74 HydrophobicContact CB-CE2 4.1Å; P36-Y74 HydrophobicContact CB-CG 3.68Å; P36-Y74 HydrophobicContact CG-CD2 3.59Å; P36-Y74 HydrophobicContact CG-CE2 3.61Å; P36-Y74 HydrophobicContact CG-CG 4.06Å; N42-Y74 PolarHBondContact N-O 3.35Å; N42-Y74 WeakPolarHBondContact OD1-CB 3.48Å; N42-Y74 WeakPolarHBondContact OD1-CD2 3.48Å; N42-Y74 PolarHBondContact OD1-N 3.33Å; Y74-L76 PolarHBondContact O-N 3.41Å; Y74-K78 CarbonylContact C-O 3.39Å; Y74-K78 WeakPolarHBondContact CA-O 3.48Å; Y74-P79 HydrophobicContact CD1-CB 4.38Å; Y74-P79 HydrophobicContact CE1-CB 4Å |
| 75 | F | 85.6 | Confident | 94.1 | Very high | 55 Ų | 55 | 27.9 Ų | 27.9 | 24% | 0.241 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 100.2 | 167.9 | -165.6 | -83.7 | 0 | 0 | 0 | 107.9 | M43 F73 H77 K78 | M43-F75 HydrophobicContact CE-CD2 3.91Å; M43-F75 HydrophobicContact CE-CE2 3.57Å; M43-F75 HydrophobicContact CE-CZ 4.33Å; M43-F75 HydrophobicContact CG-CD2 4.25Å; M43-F75 HydrophobicContact CG-CG 4.49Å; M43-F75 HydrophobicContact SD-CD2 3.51Å; M43-F75 VanDerWaalsContact SD-CD2 3.51Å; M43-F75 HydrophobicContact SD-CE2 3.84Å; M43-F75 HydrophobicContact SD-CG 4.24Å; F73-F75 HydrophobicContact CE1-CB 4.33Å; F73-F75 HydrophobicContact CE1-CD2 4.43Å; F75-H77 PolarHBondContact O-N 3.28Å; F75-H77 VanDerWaalsContact O-N 3.15Å; F75-K78 PolarHBondContact N-O 3.41Å; F75-K78 PolarHBondContact O-N 3.48Å |
| 76 | L | 84.4 | Confident | 94.2 | Very high | 13 Ų | 13 | 22.2 Ų | 22.2 | 7% | 0.068 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | -116.2 | -167.8 | -55 | 167.1 | 0 | 0 | 0 | 109.8 | Y40 G41 Y74 I225 S229 | Y40-L76 HydrophobicContact CD1-CD2 4.43Å; G41-L76 WeakPolarHBondContact CA-O 3.27Å; G41-L76 PolarHBondContact N-O 2.86Å; Y74-L76 PolarHBondContact O-N 3.41Å; L76-I225 HydrophobicContact CD1-CG2 3.73Å; L76-I225 HydrophobicContact CD2-CG2 4.17Å; L76-S229 WeakPolarHBondContact CD1-OG 3.47Å |
| 77 | H | 82.9 | Confident | 94.3 | Very high | 40 Ų | 40 | 23.7 Ų | 23.7 | 19% | 0.185 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -4.6 | 179.4 | 71.8 | -75.8 | 0 | 0 | 0 | 113.6 | F23 F75 S229 F230 | F23-H77 HydrophobicContact CE2-CB 4.05Å; F23-H77 HydrophobicContact CZ-CB 4.42Å; F75-H77 PolarHBondContact O-N 3.28Å; F75-H77 VanDerWaalsContact O-N 3.15Å; H77-S229 WeakPolarHBondContact CE1-CB 3.12Å; H77-S229 PolarHBondContact CE1-O 2.76Å; H77-S229 VanDerWaalsContact CE1-O 3.32Å; H77-F230 AromaticContact CD2-CZ 3.99Å; H77-F230 AromaticContact CE1-CE1 3.67Å; H77-F230 AromaticContact CE1-CE2 3.81Å; H77-F230 AromaticContact CE1-CZ 3.42Å; H77-F230 VanDerWaalsContact CE1-CZ 3.42Å; H77-F230 WeakPolarHBondContact CE1-CZ 3.48Å; H77-F230 AromaticContact ND1-CZ 3.97Å; H77-F230 AromaticContact NE2-CE1 3.31Å; H77-F230 VanDerWaalsContact NE2-CE1 3.31Å; H77-F230 WeakPolarHBondContact NE2-CE1 3.39Å; H77-F230 AromaticContact NE2-CZ 3.42Å; H77-F230 WeakPolarHBondContact NE2-CZ 3.42Å |
| 78 | K | 87.6 | Confident | 94.6 | Very high | 57 Ų | 57 | 20.6 Ų | 20.6 | 25% | 0.248 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 129.6 | -174.8 | -72.1 | -178.8 | 176.2 | 155.9 | 0 | 111.6 | Y74 F75 F228 S229 P231 | Y74-K78 CarbonylContact C-O 3.39Å; Y74-K78 WeakPolarHBondContact CA-O 3.48Å; F75-K78 PolarHBondContact N-O 3.41Å; F75-K78 PolarHBondContact O-N 3.48Å; K78-F228 PolarHBondContact NZ-O 3.19Å; K78-S229 WeakPolarHBondContact CE-O 3.39Å; K78-S229 PolarHBondContact NZ-O 3.32Å; K78-P231 VanDerWaalsContact NZ-CD 3.34Å |
| 79 | P | 93.5 | Very high | 94.6 | Very high | 26 Ų | 26 | 17.2 Ų | 17.2 | 17% | 0.169 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 139.3 | 169.1 | 28.8 | -33 | 0 | 0 | 0 | 110.7 | Y25 W26 F73 Y74 | Y25-P79 HydrophobicContact CD1-CB 3.51Å; Y25-P79 HydrophobicContact CD1-CG 4Å; Y25-P79 HydrophobicContact CD2-CG 4.18Å; Y25-P79 HydrophobicContact CE1-CB 3.99Å; Y25-P79 HydrophobicContact CE1-CG 4.37Å; Y25-P79 HydrophobicContact CG-CB 3.88Å; Y25-P79 HydrophobicContact CG-CG 3.92Å; W26-P79 HydrophobicContact CZ2-CB 4.09Å; F73-P79 CarbonylContact O-C 3.58Å; F73-P79 WeakPolarHBondContact O-CA 3.28Å; Y74-P79 HydrophobicContact CD1-CB 4.38Å; Y74-P79 HydrophobicContact CE1-CB 4Å |
| 80 | A | 95.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.008 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 141.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | W26 F73 Q402 I404 | W26-A80 WeakPolarHBondContact CZ2-O 3.38Å; F73-A80 WeakPolarHBondContact CA-O 3.28Å; F73-A80 WeakPolarHBondContact CB-O 3.4Å; F73-A80 HydrophobicContact CD1-CB 4.49Å; F73-A80 PolarHBondContact N-O 3.47Å; F73-A80 PolarHBondContact O-N 2.67Å; F73-A80 VanDerWaalsContact O-O 3.07Å; A80-Q402 CarbonylContact C-O 3.58Å; A80-Q402 WeakPolarHBondContact CA-O 3.42Å; A80-Q402 HydrophobicContact CB-CB 3.94Å; A80-Q402 WeakPolarHBondContact CB-O 3.38Å; A80-I404 HydrophobicContact CB-CD1 3.82Å; A80-I404 HydrophobicContact CB-CG1 4.19Å |
| 81 | A | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 116.3 | 172 | 0 | 0 | 0 | 0 | 0 | 108.3 | W26 F70 I83 I397 T401 Q402 V403 I404 | W26-A81 HydrophobicContact CH2-CB 4.07Å; F70-A81 HydrophobicContact CD2-CB 3.82Å; F70-A81 HydrophobicContact CE2-CB 4.24Å; F70-A81 HydrophobicContact CG-CB 4.31Å; A81-I83 HydrophobicContact CB-CD1 4.34Å; A81-I397 HydrophobicContact CB-CD1 4.25Å; A81-I397 HydrophobicContact CB-CG1 4.24Å; A81-I397 HydrophobicContact CB-CG2 4.35Å; A81-T401 HydrophobicContact CB-CG2 4.38Å; A81-Q402 PolarHBondContact N-O 2.91Å; A81-V403 HydrophobicContact CB-CG2 4.4Å; A81-V403 CarbonylContact O-C 3.52Å; A81-V403 WeakPolarHBondContact O-CA 3.23Å; A81-I404 PolarHBondContact O-N 2.65Å |
| 82 | F | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 108.8 | 176.7 | -172.7 | -84.5 | 0 | 0 | 0 | 108.8 | F56 Y59 Y60 F70 V71 F73 V84 I404 P406 | F56-F82 HydrophobicContact CB-CE2 4.41Å; F56-F82 HydrophobicContact CB-CZ 4.39Å; F56-F82 HydrophobicContact CD1-CD2 4.42Å; F56-F82 AromaticContact CD1-CE2 3.5Å; F56-F82 HydrophobicContact CD1-CE2 3.5Å; F56-F82 VanDerWaalsContact CD1-CE2 3.5Å; F56-F82 HydrophobicContact CD1-CZ 4.25Å; F56-F82 AromaticContact CE1-CE2 3.97Å; F56-F82 HydrophobicContact CE1-CE2 3.97Å; F56-F82 HydrophobicContact CG-CE2 4.15Å; Y59-F82 AromaticContact CD1-CD1 3.81Å; Y59-F82 HydrophobicContact CD1-CD1 3.81Å; Y59-F82 HydrophobicContact CD1-CD2 4.28Å; Y59-F82 AromaticContact CD1-CE1 3.93Å; Y59-F82 HydrophobicContact CD1-CE1 3.93Å; Y59-F82 HydrophobicContact CD1-CE2 4.4Å; Y59-F82 AromaticContact CD1-CG 3.98Å; Y59-F82 HydrophobicContact CD1-CG 3.98Å; Y59-F82 HydrophobicContact CD1-CZ 4.21Å; Y59-F82 HydrophobicContact CE1-CB 4.36Å; Y59-F82 HydrophobicContact CE1-CD1 4.28Å; Y59-F82 HydrophobicContact CE1-CG 4.23Å; Y60-F82 HydrophobicContact CD2-CE1 4.36Å; F70-F82 CarbonylContact C-O 3.04Å; F70-F82 VanDerWaalsContact CA-O 3.28Å; F70-F82 WeakPolarHBondContact CA-O 3.44Å; F70-F82 WeakPolarHBondContact CB-O 3.29Å; V71-F82 HydrophobicContact CG2-CB 4.15Å; V71-F82 HydrophobicContact CG2-CD1 4.07Å; V71-F82 PolarHBondContact N-O 3.46Å; V71-F82 PolarHBondContact O-N 3.44Å; F73-F82 HydrophobicContact CB-CB 3.76Å; F73-F82 HydrophobicContact CD2-CD2 4.24Å; F73-F82 HydrophobicContact CG-CB 4.43Å; F73-F82 HydrophobicContact CG-CD2 4.39Å; F82-V84 HydrophobicContact CD1-CG1 3.99Å; F82-V84 HydrophobicContact CE1-CG1 4.27Å; F82-I404 HydrophobicContact CD2-CB 4.01Å; F82-I404 HydrophobicContact CD2-CG2 3.67Å; F82-I404 HydrophobicContact CE2-CG2 3.85Å; F82-P406 HydrophobicContact CD1-CG 4.49Å; F82-P406 HydrophobicContact CE1-CB 4.12Å; F82-P406 HydrophobicContact CE1-CG 3.66Å; F82-P406 HydrophobicContact CE2-CB 3.89Å; F82-P406 HydrophobicContact CE2-CG 4.21Å; F82-P406 HydrophobicContact CZ-CB 3.42Å; F82-P406 VanDerWaalsContact CZ-CB 3.42Å; F82-P406 HydrophobicContact CZ-CG 3.5Å |
| 83 | I | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 127.5 | -172.9 | -49.9 | -51.9 | 0 | 0 | 0 | 108.7 | F70 A81 D85 L88 A89 I92 I397 V403 I404 I405 P406 Y410 | F70-I83 HydrophobicContact CB-CD1 3.69Å; F70-I83 HydrophobicContact CG-CD1 4.49Å; A81-I83 HydrophobicContact CB-CD1 4.34Å; I83-D85 VanDerWaalsContact CG2-O 3.28Å; I83-D85 WeakPolarHBondContact CG2-O 3.39Å; I83-L88 HydrophobicContact CD1-CD2 3.88Å; I83-L88 HydrophobicContact CD1-CG 4.33Å; I83-L88 HydrophobicContact CG2-CB 4.11Å; I83-L88 HydrophobicContact CG2-CD2 4.21Å; I83-L88 HydrophobicContact CG2-CG 4.06Å; I83-A89 HydrophobicContact CG2-CB 4.16Å; I83-I92 HydrophobicContact CD1-CD1 3.7Å; I83-I92 HydrophobicContact CG1-CD1 3.97Å; I83-I397 HydrophobicContact CD1-CD1 4.31Å; I83-V403 HydrophobicContact CD1-CG1 3.8Å; I83-V403 HydrophobicContact CG1-CG1 3.56Å; I83-I404 PolarHBondContact N-O 3.21Å; I83-I405 HydrophobicContact CB-CG1 4.26Å; I83-I405 HydrophobicContact CG1-CG1 3.95Å; I83-P406 WeakPolarHBondContact O-CD 3.12Å; I83-P406 WeakPolarHBondContact O-CG 3.26Å; I83-Y410 WeakPolarHBondContact CG2-OH 3.35Å; I83-Y410 PolarHBondContact O-OH 3.41Å |
| 84 | V | 97.3 | Very high | 94.9 | Very high | 7 Ų | 7 | 22.8 Ų | 22.8 | 4% | 0.042 | 11% | 0.113 | C | C | . | . | trans | -112.2 | -22.4 | 177.5 | -61.9 | 0 | 0 | 0 | 0 | 112.1 | Y60 F68 P69 V71 F82 | Y60-V84 HydrophobicContact CD2-CB 4.27Å; Y60-V84 HydrophobicContact CD2-CG1 4.14Å; Y60-V84 HydrophobicContact CE2-CB 4.11Å; Y60-V84 HydrophobicContact CE2-CG1 4.48Å; Y60-V84 WeakPolarHBondContact CE2-O 3.37Å; F68-V84 WeakPolarHBondContact O-CG2 3.49Å; P69-V84 WeakPolarHBondContact O-CG2 3.4Å; P69-V84 PolarHBondContact O-N 2.94Å; V71-V84 HydrophobicContact CG2-CG1 3.98Å; F82-V84 HydrophobicContact CD1-CG1 3.99Å; F82-V84 HydrophobicContact CE1-CG1 4.27Å | ||
| 85 | D | 96.8 | Very high | 95.2 | Very high | 55 Ų | 55 | 28.8 Ų | 28.8 | 29% | 0.294 | 14% | 0.139 | S | C | . | . | trans | -93.1 | 127.8 | 176.3 | 169.7 | 36 | 0 | 0 | 0 | 111.6 | P69 I83 Q87 L88 A89 Y410 | P69-D85 HydrophobicContact CB-CB 3.98Å; P69-D85 PolarHBondContact O-N 3.36Å; I83-D85 VanDerWaalsContact CG2-O 3.28Å; I83-D85 WeakPolarHBondContact CG2-O 3.39Å; D85-Q87 VanDerWaalsContact C-N 3.29Å; D85-Q87 PolarHBondContact O-N 2.89Å; D85-Q87 PolarHBondContact OD1-N 3.47Å; D85-Q87 WeakPolarHBondContact OD2-CB 3.21Å; D85-L88 HydrophobicContact CB-CB 4.26Å; D85-L88 PolarHBondContact O-N 3.22Å; D85-L88 PolarHBondContact OD2-N 3.49Å; D85-A89 PolarHBondContact O-N 3.19Å; D85-Y410 PolarHBondContact O-OH 3.43Å | ||
| 86 | T | 96.9 | Very high | 95.8 | Very high | 28 Ų | 28 | 28.7 Ų | 28.7 | 17% | 0.172 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.2 | -30.5 | 177.6 | 56.2 | 0 | 0 | 0 | 0 | 111.5 | A89 K90 Y410 L416 E440 | T86-A89 WeakPolarHBondContact O-CB 3.3Å; T86-A89 PolarHBondContact O-N 3.37Å; T86-K90 PolarHBondContact O-N 3.43Å; T86-Y410 HydrophobicContact CG2-CD2 4.04Å; T86-Y410 HydrophobicContact CG2-CE2 3.96Å; T86-Y410 HydrophobicContact CG2-CG 4.37Å; T86-L416 HydrophobicContact CG2-CD1 4.08Å; T86-E440 HydrophobicContact CG2-CG 4.35Å |
| 87 | Q | 96.9 | Very high | 96.4 | Very high | 75 Ų | 75 | 29.2 Ų | 29.2 | 35% | 0.35 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -68.9 | -40.3 | 177.7 | -175.7 | 54 | 69.5 | 0 | 0 | 111.7 | D85 A89 K90 N91 | D85-Q87 VanDerWaalsContact C-N 3.29Å; D85-Q87 PolarHBondContact O-N 2.89Å; D85-Q87 PolarHBondContact OD1-N 3.47Å; D85-Q87 WeakPolarHBondContact OD2-CB 3.21Å; Q87-A89 VanDerWaalsContact C-N 3.35Å; Q87-K90 WeakPolarHBondContact O-CB 3.32Å; Q87-K90 PolarHBondContact O-N 3.21Å; Q87-N91 PolarHBondContact NE2-OD1 2.95Å; Q87-N91 VanDerWaalsContact NE2-OD1 3.11Å; Q87-N91 VanDerWaalsContact O-CG 3.3Å; Q87-N91 PolarHBondContact O-N 2.62Å; Q87-N91 PolarHBondContact O-OD1 3.12Å |
| 88 | L | 98.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.1 | -40.2 | 169.2 | 179.8 | 55.6 | 0 | 0 | 0 | 111.6 | P69 F70 I83 D85 K90 N91 I92 Y387 V389 | P69-L88 HydrophobicContact CB-CB 4.31Å; P69-L88 HydrophobicContact CB-CD2 3.82Å; P69-L88 HydrophobicContact CG-CD2 4.35Å; F70-L88 HydrophobicContact CB-CD2 4.13Å; F70-L88 HydrophobicContact CD1-CD2 3.95Å; I83-L88 HydrophobicContact CD1-CD2 3.88Å; I83-L88 HydrophobicContact CD1-CG 4.33Å; I83-L88 HydrophobicContact CG2-CB 4.11Å; I83-L88 HydrophobicContact CG2-CD2 4.21Å; I83-L88 HydrophobicContact CG2-CG 4.06Å; D85-L88 HydrophobicContact CB-CB 4.26Å; D85-L88 PolarHBondContact O-N 3.22Å; D85-L88 PolarHBondContact OD2-N 3.49Å; L88-K90 VanDerWaalsContact C-N 3.32Å; L88-K90 PolarHBondContact O-N 2.88Å; L88-N91 PolarHBondContact O-N 3.22Å; L88-I92 HydrophobicContact CD1-CD1 3.83Å; L88-I92 HydrophobicContact CD1-CG1 4.05Å; L88-I92 HydrophobicContact CD2-CD1 4.45Å; L88-I92 HydrophobicContact CG-CD1 3.79Å; L88-I92 HydrophobicContact CG-CG1 4.44Å; L88-I92 WeakPolarHBondContact O-CG1 3.38Å; L88-I92 PolarHBondContact O-N 3.45Å; L88-Y387 HydrophobicContact CD1-CE1 3.84Å; L88-V389 HydrophobicContact CD1-CG1 4.08Å; L88-V389 HydrophobicContact CD1-CG2 4.36Å; L88-V389 HydrophobicContact CD2-CG1 4.2Å; L88-V389 HydrophobicContact CD2-CG2 4.22Å |
| 89 | A | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.5 | -41.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | I83 D85 T86 Q87 N91 I92 L93 I405 Y410 | I83-A89 HydrophobicContact CG2-CB 4.16Å; D85-A89 PolarHBondContact O-N 3.19Å; T86-A89 WeakPolarHBondContact O-CB 3.3Å; T86-A89 PolarHBondContact O-N 3.37Å; Q87-A89 VanDerWaalsContact C-N 3.35Å; A89-N91 PolarHBondContact O-N 3.46Å; A89-I92 PolarHBondContact O-N 3.43Å; A89-L93 VanDerWaalsContact O-CB 3.29Å; A89-L93 WeakPolarHBondContact O-CB 3.35Å; A89-L93 VanDerWaalsContact O-CG 3.26Å; A89-L93 WeakPolarHBondContact O-CG 3.39Å; A89-L93 PolarHBondContact O-N 2.85Å; A89-I405 HydrophobicContact CB-CD1 4.37Å; A89-I405 HydrophobicContact CB-CG2 3.94Å; A89-Y410 HydrophobicContact CB-CE2 3.97Å |
| 90 | K | 98.3 | Very high | 97.9 | Very high | 43 Ų | 43 | 29 Ų | 29 | 19% | 0.187 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.2 | -41.9 | 173.3 | -172.3 | 171.6 | 179.2 | 175.6 | 0 | 112.5 | T86 Q87 L88 I94 K95 E437 V439 | T86-K90 PolarHBondContact O-N 3.43Å; Q87-K90 WeakPolarHBondContact O-CB 3.32Å; Q87-K90 PolarHBondContact O-N 3.21Å; L88-K90 VanDerWaalsContact C-N 3.32Å; L88-K90 PolarHBondContact O-N 2.88Å; K90-I94 HydrophobicContact CG-CD1 4.13Å; K90-I94 WeakPolarHBondContact O-CB 3.46Å; K90-I94 PolarHBondContact O-N 3.43Å; K90-K95 PolarHBondContact O-N 3.28Å; K90-E437 IonicContact NZ-OE1 2.88Å; K90-E437 PolarHBondContact NZ-OE1 3.39Å; K90-E437 VanDerWaalsContact NZ-OE1 3.12Å; K90-E437 IonicContact NZ-OE2 3.29Å; K90-E437 PolarHBondContact NZ-OE2 3.24Å; K90-V439 HydrophobicContact CB-CG1 3.95Å; K90-V439 HydrophobicContact CB-CG2 3.91Å; K90-V439 HydrophobicContact CG-CG1 4.33Å |
| 91 | N | 98.4 | Very high | 97.9 | Very high | 15 Ų | 15 | 29.7 Ų | 29.7 | 8% | 0.08 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -63.2 | -49.4 | 176.5 | -64.2 | -9.9 | 0 | 0 | 0 | 110.5 | Q87 L88 A89 L93 K95 D96 Y387 | Q87-N91 PolarHBondContact NE2-OD1 2.95Å; Q87-N91 VanDerWaalsContact NE2-OD1 3.11Å; Q87-N91 VanDerWaalsContact O-CG 3.3Å; Q87-N91 PolarHBondContact O-N 2.62Å; Q87-N91 PolarHBondContact O-OD1 3.12Å; L88-N91 PolarHBondContact O-N 3.22Å; A89-N91 PolarHBondContact O-N 3.46Å; N91-L93 PolarHBondContact O-N 3.46Å; N91-K95 PolarHBondContact O-N 2.94Å; N91-K95 VanDerWaalsContact O-N 3.16Å; N91-K95 WeakPolarHBondContact OD1-CD 3.44Å; N91-D96 WeakPolarHBondContact O-CA 3.47Å; N91-D96 PolarHBondContact O-N 3.13Å; N91-Y387 WeakPolarHBondContact CB-OH 3.37Å |
| 92 | I | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -64.4 | -43.1 | -178.1 | -70 | 170.9 | 0 | 0 | 0 | 112.6 | I83 L88 A89 F100 R381 I397 V403 I405 | I83-I92 HydrophobicContact CD1-CD1 3.7Å; I83-I92 HydrophobicContact CG1-CD1 3.97Å; L88-I92 HydrophobicContact CD1-CD1 3.83Å; L88-I92 HydrophobicContact CD1-CG1 4.05Å; L88-I92 HydrophobicContact CD2-CD1 4.45Å; L88-I92 HydrophobicContact CG-CD1 3.79Å; L88-I92 HydrophobicContact CG-CG1 4.44Å; L88-I92 WeakPolarHBondContact O-CG1 3.38Å; L88-I92 PolarHBondContact O-N 3.45Å; A89-I92 PolarHBondContact O-N 3.43Å; I92-F100 HydrophobicContact CB-CD2 4.19Å; I92-F100 HydrophobicContact CB-CE2 4.42Å; I92-F100 HydrophobicContact CB-CG 4.41Å; I92-F100 HydrophobicContact CD1-CZ 4.49Å; I92-F100 HydrophobicContact CG1-CD2 4.07Å; I92-F100 HydrophobicContact CG1-CE1 4.35Å; I92-F100 HydrophobicContact CG1-CE2 3.8Å; I92-F100 HydrophobicContact CG1-CG 4.47Å; I92-F100 HydrophobicContact CG1-CZ 3.95Å; I92-F100 HydrophobicContact CG2-CB 4Å; I92-F100 HydrophobicContact CG2-CD1 4.06Å; I92-F100 HydrophobicContact CG2-CD2 4.05Å; I92-F100 HydrophobicContact CG2-CG 3.77Å; I92-R381 HydrophobicContact CG2-CB 4.16Å; I92-R381 HydrophobicContact CG2-CG 3.94Å; I92-I397 HydrophobicContact CD1-CD1 4.19Å; I92-V403 HydrophobicContact CD1-CG1 3.95Å; I92-V403 HydrophobicContact CG2-CG1 4.29Å; I92-I405 HydrophobicContact CG2-CD1 4.13Å |
| 93 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -78.6 | -34 | -175.3 | -68.6 | 175.6 | 0 | 0 | 0 | 112.9 | A89 N91 L379 R381 I405 V439 L442 D446 G447 | A89-L93 VanDerWaalsContact O-CB 3.29Å; A89-L93 WeakPolarHBondContact O-CB 3.35Å; A89-L93 VanDerWaalsContact O-CG 3.26Å; A89-L93 WeakPolarHBondContact O-CG 3.39Å; A89-L93 PolarHBondContact O-N 2.85Å; N91-L93 PolarHBondContact O-N 3.46Å; L93-L379 HydrophobicContact CD1-CD1 3.98Å; L93-L379 HydrophobicContact CD2-CD1 4.11Å; L93-R381 HydrophobicContact CD2-CG 4.37Å; L93-R381 VanDerWaalsContact CD2-NH2 3.29Å; L93-I405 HydrophobicContact CD1-CD1 3.88Å; L93-I405 HydrophobicContact CD2-CD1 3.6Å; L93-I405 HydrophobicContact CG-CD1 3.57Å; L93-V439 HydrophobicContact CD1-CG1 4.24Å; L93-L442 HydrophobicContact CD1-CD1 4.26Å; L93-L442 HydrophobicContact CD1-CD2 3.91Å; L93-D446 HydrophobicContact CD1-CB 4.24Å; L93-G447 WeakPolarHBondContact O-CA 3.09Å |
| 94 | I | 98.2 | Very high | 97.3 | Very high | 62 Ų | 62 | 33 Ų | 33 | 32% | 0.318 | 18% | 0.178 | S | C | . | . | I | π-helix | trans | -121.7 | -66.3 | -168.2 | -58.5 | 160.1 | 0 | 0 | 0 | 111.7 | K90 F97 V439 D446 | K90-I94 HydrophobicContact CG-CD1 4.13Å; K90-I94 WeakPolarHBondContact O-CB 3.46Å; K90-I94 PolarHBondContact O-N 3.43Å; I94-F97 WeakPolarHBondContact O-CB 3.39Å; I94-V439 HydrophobicContact CD1-CG1 4.16Å; I94-D446 WeakPolarHBondContact CD1-OD2 3.2Å |
| 95 | K | 97.9 | Very high | 96.9 | Very high | 126 Ų | 126 | 34.5 Ų | 34.5 | 55% | 0.548 | 18% | 0.184 | S | C | . | . | I | π-helix | trans | -67.8 | -48.2 | -166.5 | -58.6 | -172.5 | -173.8 | 164.7 | 0 | 112.6 | K90 N91 | K90-K95 PolarHBondContact O-N 3.28Å; N91-K95 PolarHBondContact O-N 2.94Å; N91-K95 VanDerWaalsContact O-N 3.16Å; N91-K95 WeakPolarHBondContact OD1-CD 3.44Å |
| 96 | D | 97.9 | Very high | 96.5 | Very high | 52 Ų | 52 | 32.1 Ų | 32.1 | 28% | 0.278 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 24.2 | -176 | -56.5 | -43.2 | 0 | 0 | 0 | 111.4 | N91 S98 N99 F100 Y387 | N91-D96 WeakPolarHBondContact O-CA 3.47Å; N91-D96 PolarHBondContact O-N 3.13Å; D96-S98 PolarHBondContact O-N 2.68Å; D96-N99 PolarHBondContact O-N 2.89Å; D96-F100 HydrophobicContact CB-CD2 4.44Å; D96-F100 HydrophobicContact CB-CE2 4.41Å; D96-F100 WeakPolarHBondContact O-CD2 3.41Å; D96-Y387 HydrophobicContact CB-CE2 3.86Å; D96-Y387 VanDerWaalsContact OD2-CE2 3.31Å; D96-Y387 WeakPolarHBondContact OD2-CE2 3.39Å; D96-Y387 PolarHBondContact OD2-OH 2.94Å |
| 97 | F | 97.8 | Very high | 96.1 | Very high | 25 Ų | 25 | 33.6 Ų | 33.6 | 11% | 0.11 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -52 | -32.9 | -176.2 | 173.7 | -98.7 | 0 | 0 | 0 | 113 | I94 N99 F100 A101 W126 P448 R449 | I94-F97 WeakPolarHBondContact O-CB 3.39Å; F97-N99 PolarHBondContact O-N 3Å; F97-F100 CarbonylContact O-C 3.52Å; F97-F100 VanDerWaalsContact O-C 3.28Å; F97-F100 PolarHBondContact O-N 3.48Å; F97-A101 HydrophobicContact CE1-CB 3.93Å; F97-A101 HydrophobicContact CZ-CB 3.88Å; F97-A101 WeakPolarHBondContact O-CA 3.31Å; F97-A101 PolarHBondContact O-N 3.1Å; F97-W126 AromaticContact CE1-CH2 3.91Å; F97-W126 HydrophobicContact CE1-CH2 3.91Å; F97-W126 AromaticContact CE1-CZ3 3.96Å; F97-W126 HydrophobicContact CE1-CZ3 3.96Å; F97-W126 AromaticContact CZ-CH2 3.47Å; F97-W126 HydrophobicContact CZ-CH2 3.47Å; F97-W126 VanDerWaalsContact CZ-CH2 3.47Å; F97-W126 HydrophobicContact CZ-CZ2 4.33Å; F97-W126 AromaticContact CZ-CZ3 3.73Å; F97-W126 HydrophobicContact CZ-CZ3 3.73Å; F97-P448 HydrophobicContact CB-CG 4.42Å; F97-P448 HydrophobicContact CD1-CB 3.91Å; F97-P448 HydrophobicContact CD1-CG 3.63Å; F97-P448 HydrophobicContact CD2-CG 4.3Å; F97-P448 HydrophobicContact CE1-CB 3.69Å; F97-P448 HydrophobicContact CE1-CG 3.97Å; F97-P448 HydrophobicContact CE2-CB 4.32Å; F97-P448 HydrophobicContact CG-CB 4.33Å; F97-P448 HydrophobicContact CG-CG 3.83Å; F97-P448 HydrophobicContact CZ-CB 3.91Å; F97-P448 HydrophobicContact CZ-CG 4.45Å; F97-R449 HydrophobicContact CE2-CB 3.64Å; F97-R449 HydrophobicContact CZ-CB 3.9Å |
| 98 | S | 97.3 | Very high | 95.8 | Very high | 101 Ų | 101 | 30.4 Ų | 30.4 | 71% | 0.706 | 16% | 0.161 | S | C | * | . | G | 310 helix | trans | -57.1 | -31 | 177.7 | 59.2 | 0 | 0 | 0 | 0 | 113 | D96 | D96-S98 PolarHBondContact O-N 2.68Š|
| 99 | N | 98.3 | Very high | 95.3 | Very high | 17 Ų | 17 | 31.1 Ų | 31.1 | 9% | 0.091 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -86 | -11.8 | 175.9 | -164.5 | 46.7 | 0 | 0 | 0 | 113.5 | D96 F97 A383 L384 N385 | D96-N99 PolarHBondContact O-N 2.89Å; F97-N99 PolarHBondContact O-N 3Å; N99-A383 CarbonylContact O-C 3.28Å; N99-L384 WeakPolarHBondContact O-CB 3.19Å; N99-L384 WeakPolarHBondContact O-CG 3.49Å; N99-L384 PolarHBondContact O-N 2.96Å; N99-N385 PolarHBondContact ND2-O 3.26Å; N99-N385 WeakPolarHBondContact OD1-CA 3.33Å; N99-N385 VanDerWaalsContact OD1-CB 3.24Å; N99-N385 WeakPolarHBondContact OD1-CB 3.45Å; N99-N385 PolarHBondContact OD1-N 3.07Å; N99-N385 PolarHBondContact OD1-ND2 2.91Å; N99-N385 PolarHBondContact OD1-O 2.99Å |
| 100 | F | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -124.4 | 21 | -175.3 | -64.2 | -75.5 | 0 | 0 | 0 | 111.9 | I92 D96 F97 D102 R381 A383 Y387 I397 V403 | I92-F100 HydrophobicContact CB-CD2 4.19Å; I92-F100 HydrophobicContact CB-CE2 4.42Å; I92-F100 HydrophobicContact CB-CG 4.41Å; I92-F100 HydrophobicContact CD1-CZ 4.49Å; I92-F100 HydrophobicContact CG1-CD2 4.07Å; I92-F100 HydrophobicContact CG1-CE1 4.35Å; I92-F100 HydrophobicContact CG1-CE2 3.8Å; I92-F100 HydrophobicContact CG1-CG 4.47Å; I92-F100 HydrophobicContact CG1-CZ 3.95Å; I92-F100 HydrophobicContact CG2-CB 4Å; I92-F100 HydrophobicContact CG2-CD1 4.06Å; I92-F100 HydrophobicContact CG2-CD2 4.05Å; I92-F100 HydrophobicContact CG2-CG 3.77Å; D96-F100 HydrophobicContact CB-CD2 4.44Å; D96-F100 HydrophobicContact CB-CE2 4.41Å; D96-F100 WeakPolarHBondContact O-CD2 3.41Å; F97-F100 CarbonylContact O-C 3.52Å; F97-F100 VanDerWaalsContact O-C 3.28Å; F97-F100 PolarHBondContact O-N 3.48Å; F100-D102 PolarHBondContact O-N 3.43Å; F100-D102 VanDerWaalsContact O-N 3.08Å; F100-R381 HydrophobicContact CB-CB 4.15Å; F100-R381 HydrophobicContact CB-CG 4.46Å; F100-R381 HydrophobicContact CD1-CB 4.45Å; F100-R381 WeakPolarHBondContact O-CD 3.21Å; F100-A383 HydrophobicContact CD1-CB 4.33Å; F100-A383 HydrophobicContact CE1-CB 3.82Å; F100-Y387 HydrophobicContact CE2-CD1 4.15Å; F100-Y387 AromaticContact CE2-CD2 3.74Å; F100-Y387 HydrophobicContact CE2-CD2 3.74Å; F100-Y387 HydrophobicContact CE2-CE1 4.33Å; F100-Y387 AromaticContact CE2-CE2 3.93Å; F100-Y387 HydrophobicContact CE2-CE2 3.93Å; F100-Y387 AromaticContact CE2-CG 3.84Å; F100-Y387 HydrophobicContact CE2-CG 3.84Å; F100-Y387 AromaticContact CZ-CD1 3.76Å; F100-Y387 HydrophobicContact CZ-CD1 3.76Å; F100-Y387 AromaticContact CZ-CD2 3.95Å; F100-Y387 HydrophobicContact CZ-CD2 3.95Å; F100-Y387 HydrophobicContact CZ-CE1 4.29Å; F100-Y387 HydrophobicContact CZ-CE2 4.46Å; F100-Y387 AromaticContact CZ-CG 3.55Å; F100-Y387 HydrophobicContact CZ-CG 3.55Å; F100-I397 HydrophobicContact CE1-CG2 4.5Å; F100-V403 HydrophobicContact CD1-CG2 4.25Å; F100-V403 HydrophobicContact CE1-CG2 4Å |
| 101 | A | 97.1 | Very high | 94.4 | Very high | 16 Ų | 16 | 39.4 Ų | 39.4 | 13% | 0.132 | 20% | 0.202 | C | C | . | . | trans | -62 | -27 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F97 L384 R449 | F97-A101 HydrophobicContact CE1-CB 3.93Å; F97-A101 HydrophobicContact CZ-CB 3.88Å; F97-A101 WeakPolarHBondContact O-CA 3.31Å; F97-A101 PolarHBondContact O-N 3.1Å; A101-L384 HydrophobicContact CB-CD1 4.28Å; A101-R449 WeakPolarHBondContact O-CD 3.45Å; A101-R449 PolarHBondContact O-NH1 3.48Å | ||
| 102 | D | 97.1 | Very high | 94.1 | Very high | 21 Ų | 21 | 38.7 Ų | 38.7 | 11% | 0.112 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -91 | 152.7 | -173.7 | -73.6 | -2.2 | 0 | 0 | 0 | 113.7 | F100 D122 G123 R381 K382 L384 R449 | F100-D102 PolarHBondContact O-N 3.43Å; F100-D102 VanDerWaalsContact O-N 3.08Å; D102-D122 VanDerWaalsContact CA-OD1 3.29Å; D102-D122 WeakPolarHBondContact CA-OD1 3.5Å; D102-D122 HydrophobicContact CB-CB 4.18Å; D102-D122 WeakPolarHBondContact CB-OD1 3.41Å; D102-D122 WeakPolarHBondContact OD1-CB 3.47Å; D102-G123 PolarHBondContact OD1-N 2.9Å; D102-R381 CarbonylContact O-C 3.57Å; D102-R381 VanDerWaalsContact O-CA 3.29Å; D102-R381 WeakPolarHBondContact O-CA 3.04Å; D102-K382 HydrophobicContact CB-CB 4.27Å; D102-K382 PolarHBondContact O-N 2.86Å; D102-L384 HydrophobicContact CB-CD2 4.01Å; D102-L384 WeakPolarHBondContact OD2-CD2 3.13Å; D102-R449 IonicContact OD1-NH1 3.76Å |
| 103 | R | 94.4 | Very high | 93.8 | Very high | 32 Ų | 32 | 39.8 Ų | 39.8 | 12% | 0.121 | 21% | 0.206 | C | C | . | . | trans | -98.1 | -26.1 | 167.1 | -65.6 | -177.9 | -178.7 | 159.3 | -8.9 | 112.1 | Q105 F119 D122 Q402 R449 | R103-Q105 VanDerWaalsContact C-N 3.34Å; R103-Q105 HydrophobicContact CB-CG 4.04Å; R103-F119 PolarHBondContact NH1-O 3Å; R103-D122 PolarHBondContact N-OD1 2.71Å; R103-Q402 PolarHBondContact O-NE2 3.42Å; R103-Q402 PolarHBondContact O-OE1 2.76Å; R103-R449 PolarHBondContact NH2-O 3.43Å | ||
| 104 | G | 90.1 | Very high | 93.6 | Very high | 17 Ų | 17 | 39.8 Ų | 39.8 | 18% | 0.175 | 21% | 0.206 | C | C | . | . | trans | 70.3 | 29.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D122 | G104-D122 WeakPolarHBondContact CA-OD2 3.37Å; G104-D122 PolarHBondContact N-OD2 2.89Å | ||
| 105 | Q | 88.1 | Confident | 93.4 | Very high | 37 Ų | 37 | 36.9 Ų | 36.9 | 17% | 0.173 | 19% | 0.19 | C | C | . | . | trans | -77.3 | 161.5 | 179.6 | -77.2 | -62.2 | -35.2 | 0 | 0 | 112.4 | R103 N120 E380 | R103-Q105 VanDerWaalsContact C-N 3.34Å; R103-Q105 HydrophobicContact CB-CG 4.04Å; Q105-N120 HydrophobicContact CB-CB 4.42Å; Q105-E380 PolarHBondContact NE2-OE2 2.75Å | ||
| 106 | F | 89.3 | Confident | 93.2 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 2% | 0.022 | 17% | 0.17 | C | C | . | . | trans | -72.3 | 132.4 | 175.8 | 175.1 | -98.8 | 0 | 0 | 0 | 110.9 | N108 T115 N120 V227 P231 A234 M241 | F106-N108 HydrophobicContact CE1-CB 4.21Å; F106-N108 HydrophobicContact CE2-CB 4.35Å; F106-N108 HydrophobicContact CZ-CB 3.69Å; F106-T115 HydrophobicContact CE1-CG2 4.48Å; F106-N120 PolarHBondContact O-ND2 2.87Å; F106-V227 HydrophobicContact CB-CG1 4.12Å; F106-V227 HydrophobicContact CD1-CG1 3.72Å; F106-V227 HydrophobicContact CD2-CG1 3.67Å; F106-V227 HydrophobicContact CE1-CG1 4Å; F106-V227 HydrophobicContact CE2-CG1 3.94Å; F106-V227 HydrophobicContact CG-CG1 3.54Å; F106-V227 HydrophobicContact CZ-CG1 4.09Å; F106-P231 HydrophobicContact CB-CB 4.02Å; F106-P231 HydrophobicContact CD2-CB 3.86Å; F106-P231 HydrophobicContact CG-CB 4.44Å; F106-A234 HydrophobicContact CD2-CB 4.43Å; F106-A234 HydrophobicContact CE2-CB 3.92Å; F106-M241 HydrophobicContact CD1-CB 4.11Å; F106-M241 HydrophobicContact CD1-CE 4.31Å; F106-M241 HydrophobicContact CD1-SD 4.08Å; F106-M241 HydrophobicContact CE1-CB 3.94Å | ||
| 107 | H | 89.4 | Confident | 93 | Very high | 59 Ų | 59 | 30.4 Ų | 30.4 | 27% | 0.273 | 16% | 0.16 | S | C | . | . | trans | -148.1 | 142.5 | 163 | 64.9 | 79.2 | 0 | 0 | 0 | 110.2 | T115 N120 | H107-T115 WeakPolarHBondContact CA-OG1 3.46Å; H107-T115 WeakPolarHBondContact CB-O 3.5Å; H107-N120 HydrophobicContact CB-CB 4.25Å | ||
| 108 | N | 90.3 | Very high | 92.9 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.043 | 16% | 0.158 | C | C | . | . | B | Isolated β-bridge | trans | -135.7 | 84.2 | 176.4 | -178 | 8.1 | 0 | 0 | 0 | 109.9 | F106 R110 D111 D112 T115 M239 | F106-N108 HydrophobicContact CE1-CB 4.21Å; F106-N108 HydrophobicContact CE2-CB 4.35Å; F106-N108 HydrophobicContact CZ-CB 3.69Å; N108-R110 PolarHBondContact O-N 2.94Å; N108-R110 PolarHBondContact OD1-N 3.48Å; N108-D111 WeakPolarHBondContact ND2-CB 3.16Å; N108-D111 PolarHBondContact ND2-OD2 3.28Å; N108-D111 PolarHBondContact OD1-N 3.38Å; N108-D111 PolarHBondContact OD1-OD2 2.86Å; N108-D112 HydrophobicContact CB-CB 4.33Å; N108-D112 CarbonylContact O-C 3.31Å; N108-D112 WeakPolarHBondContact O-CA 3.34Å; N108-D112 WeakPolarHBondContact O-CB 3.3Å; N108-D112 PolarHBondContact O-N 3.43Å; N108-T115 PolarHBondContact N-OG1 2.99Å; N108-M239 PolarHBondContact ND2-O 2.88Å; N108-M239 VanDerWaalsContact ND2-O 3.12Å |
| 109 | G | 87.4 | Confident | 92.7 | Very high | 18 Ų | 18 | 29.4 Ų | 29.4 | 19% | 0.186 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -21 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q116 | G109-Q116 VanDerWaalsContact CA-CG 3.47Å; G109-Q116 VanDerWaalsContact CA-NE2 3.32Å |
| 110 | R | 87.3 | Confident | 92.5 | Very high | 178 Ų | 178 | 29 Ų | 29 | 67% | 0.672 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -51.4 | -179.5 | -179.4 | -169.2 | 172.3 | 169.3 | 4.6 | 111 | N108 | N108-R110 PolarHBondContact O-N 2.94Å; N108-R110 PolarHBondContact OD1-N 3.48Å |
| 111 | D | 90.3 | Very high | 92.4 | Very high | 38 Ų | 38 | 29.1 Ų | 29.1 | 20% | 0.203 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107 | -16.6 | -173.7 | -43.6 | -76.8 | 0 | 0 | 0 | 112.5 | N108 R238 R240 | N108-D111 WeakPolarHBondContact ND2-CB 3.16Å; N108-D111 PolarHBondContact ND2-OD2 3.28Å; N108-D111 PolarHBondContact OD1-N 3.38Å; N108-D111 PolarHBondContact OD1-OD2 2.86Å; D111-R238 HydrophobicContact CB-CB 4.44Å; D111-R238 WeakPolarHBondContact OD2-CA 3.14Å; D111-R238 WeakPolarHBondContact OD2-CB 3.37Å; D111-R238 WeakPolarHBondContact OD2-CG 3.49Å; D111-R240 HydrophobicContact CB-CG 4.39Å; D111-R240 VanDerWaalsContact O-CD 3.22Å; D111-R240 WeakPolarHBondContact O-CD 3.28Å; D111-R240 WeakPolarHBondContact O-CG 3.45Å; D111-R240 PolarHBondContact O-NE 3.46Å |
| 112 | D | 91.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | -136.3 | 67.4 | 177 | -161 | 7.4 | 0 | 0 | 0 | 112.8 | N108 L114 T115 R240 M241 M242 | N108-D112 HydrophobicContact CB-CB 4.33Å; N108-D112 CarbonylContact O-C 3.31Å; N108-D112 WeakPolarHBondContact O-CA 3.34Å; N108-D112 WeakPolarHBondContact O-CB 3.3Å; N108-D112 PolarHBondContact O-N 3.43Å; D112-L114 PolarHBondContact O-N 3.4Å; D112-L114 VanDerWaalsContact O-N 3.07Å; D112-T115 HydrophobicContact CB-CG2 4.09Å; D112-T115 WeakPolarHBondContact O-CB 3.3Å; D112-T115 PolarHBondContact O-N 3.49Å; D112-T115 PolarHBondContact O-OG1 3.46Å; D112-T115 WeakPolarHBondContact OD2-CG2 3.33Å; D112-R240 HydrophobicContact CB-CB 4.07Å; D112-R240 HydrophobicContact CB-CG 4.09Å; D112-M241 PolarHBondContact OD2-N 3.47Å; D112-M242 PolarHBondContact OD2-N 3.05Å |
| 113 | P | 93.3 | Very high | 92.1 | Very high | 24 Ų | 24 | 30.4 Ų | 30.4 | 16% | 0.156 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -48 | -40 | -172.8 | -30.2 | 33 | 0 | 0 | 0 | 115.3 | T115 Q116 A302 | P113-T115 PolarHBondContact O-N 3.11Å; P113-Q116 WeakPolarHBondContact O-CB 3.47Å; P113-Q116 PolarHBondContact O-N 2.94Å; P113-A302 WeakPolarHBondContact O-CB 3.26Å |
| 114 | L | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -60.3 | -21 | -177.5 | -63.6 | -170.9 | 0 | 0 | 0 | 113.4 | D112 Q116 H117 M242 H247 F250 M251 A301 F305 | D112-L114 PolarHBondContact O-N 3.4Å; D112-L114 VanDerWaalsContact O-N 3.07Å; L114-Q116 VanDerWaalsContact C-N 3.27Å; L114-Q116 PolarHBondContact O-N 3.16Å; L114-H117 PolarHBondContact O-CD2 2.88Å; L114-M242 HydrophobicContact CB-CG 4.07Å; L114-H247 HydrophobicContact CD1-CB 4.33Å; L114-F250 HydrophobicContact CD1-CB 3.99Å; L114-F250 HydrophobicContact CD1-CD2 4.46Å; L114-F250 HydrophobicContact CD2-CB 4.18Å; L114-M251 HydrophobicContact CD2-SD 4.18Å; L114-A301 HydrophobicContact CD2-CB 3.8Å; L114-F305 HydrophobicContact CB-CD1 4.21Å; L114-F305 HydrophobicContact CB-CG 4.38Å; L114-F305 HydrophobicContact CD1-CB 4.46Å; L114-F305 HydrophobicContact CD1-CD2 4.14Å; L114-F305 HydrophobicContact CD1-CG 4.19Å; L114-F305 HydrophobicContact CD2-CB 4.07Å |
| 115 | T | 93.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -74.6 | -13.6 | 176.3 | 63.9 | 0 | 0 | 0 | 0 | 113.6 | F106 H107 N108 D112 P113 H117 N120 M241 M242 | F106-T115 HydrophobicContact CE1-CG2 4.48Å; H107-T115 WeakPolarHBondContact CA-OG1 3.46Å; H107-T115 WeakPolarHBondContact CB-O 3.5Å; N108-T115 PolarHBondContact N-OG1 2.99Å; D112-T115 HydrophobicContact CB-CG2 4.09Å; D112-T115 WeakPolarHBondContact O-CB 3.3Å; D112-T115 PolarHBondContact O-N 3.49Å; D112-T115 PolarHBondContact O-OG1 3.46Å; D112-T115 WeakPolarHBondContact OD2-CG2 3.33Å; P113-T115 PolarHBondContact O-N 3.11Å; T115-H117 PolarHBondContact O-N 3.33Å; T115-H117 VanDerWaalsContact O-N 3.08Å; T115-N120 WeakPolarHBondContact O-CB 3.33Å; T115-N120 PolarHBondContact O-ND2 3.41Å; T115-M241 HydrophobicContact CG2-CB 4.26Å; T115-M241 HydrophobicContact CG2-CE 4.04Å; T115-M242 HydrophobicContact CG2-CG 4.25Å |
| 116 | Q | 92.8 | Very high | 92.4 | Very high | 27 Ų | 27 | 38.7 Ų | 38.7 | 13% | 0.126 | 19% | 0.186 | C | C | . | . | trans | -83.9 | 44.5 | 176.6 | -77.4 | -164.7 | -17.2 | 0 | 0 | 113.3 | G109 P113 L114 L121 Q303 | G109-Q116 VanDerWaalsContact CA-CG 3.47Å; G109-Q116 VanDerWaalsContact CA-NE2 3.32Å; P113-Q116 WeakPolarHBondContact O-CB 3.47Å; P113-Q116 PolarHBondContact O-N 2.94Å; L114-Q116 VanDerWaalsContact C-N 3.27Å; L114-Q116 PolarHBondContact O-N 3.16Å; Q116-L121 HydrophobicContact CB-CD2 4.14Å; Q116-L121 HydrophobicContact CG-CD2 4.27Å; Q116-Q303 PolarHBondContact O-NE2 3.37Å | ||
| 117 | H | 94.3 | Very high | 92.6 | Very high | 15 Ų | 15 | 43 Ų | 43 | 7% | 0.069 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -97.1 | 158.9 | 177.9 | 62.4 | 51.3 | 0 | 0 | 0 | 112.5 | L114 T115 F119 N120 L121 A302 F305 V306 | L114-H117 PolarHBondContact O-CD2 2.88Å; T115-H117 PolarHBondContact O-N 3.33Å; T115-H117 VanDerWaalsContact O-N 3.08Å; H117-F119 PolarHBondContact ND1-N 2.65Å; H117-F119 PolarHBondContact O-N 3.43Å; H117-N120 PolarHBondContact CE1-ND2 3.44Å; H117-N120 PolarHBondContact ND1-N 2.96Å; H117-N120 PolarHBondContact NE2-ND2 3.09Å; H117-N120 PolarHBondContact O-N 3.4Å; H117-L121 WeakPolarHBondContact O-CG 3.37Å; H117-L121 PolarHBondContact O-N 3.44Å; H117-L121 VanDerWaalsContact O-N 3.13Å; H117-A302 HydrophobicContact CB-CB 4.05Å; H117-A302 VanDerWaalsContact CB-O 3.25Å; H117-A302 WeakPolarHBondContact CB-O 3.4Å; H117-F305 AromaticContact CD2-CD1 3.93Å; H117-V306 HydrophobicContact CB-CB 3.63Å; H117-V306 HydrophobicContact CB-CG1 3.71Å; H117-V306 HydrophobicContact CB-CG2 4.21Å |
| 118 | L | 95.4 | Very high | 92.7 | Very high | 12 Ų | 12 | 41 Ų | 41 | 6% | 0.063 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -44.2 | -37.2 | -176.8 | -179.5 | 67.7 | 0 | 0 | 0 | 114.4 | M129 R130 L133 F307 I452 | L118-M129 HydrophobicContact CB-CG 4.25Å; L118-M129 HydrophobicContact CD1-CB 4.07Å; L118-M129 HydrophobicContact CD1-CG 3.9Å; L118-R130 HydrophobicContact CD1-CB 3.89Å; L118-L133 HydrophobicContact CB-CD1 4.13Å; L118-L133 HydrophobicContact CD1-CD1 4.39Å; L118-L133 HydrophobicContact CD2-CD1 3.92Å; L118-L133 HydrophobicContact CG-CD1 4.36Å; L118-F307 HydrophobicContact CD2-CZ 4.5Å; L118-I452 HydrophobicContact CD2-CB 4.31Å; L118-I452 HydrophobicContact CD2-CD1 3.89Å; L118-I452 HydrophobicContact CD2-CG2 4.01Å |
| 119 | F | 94.8 | Very high | 92.8 | Very high | 93 Ų | 93 | 40.8 Ų | 40.8 | 41% | 0.408 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -36.8 | -179.8 | -177 | -77.7 | 0 | 0 | 0 | 113.7 | R103 H117 V306 | R103-F119 PolarHBondContact NH1-O 3Å; H117-F119 PolarHBondContact ND1-N 2.65Å; H117-F119 PolarHBondContact O-N 3.43Å; F119-V306 HydrophobicContact CB-CG2 4.2Å |
| 120 | N | 94.1 | Very high | 93.1 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 4% | 0.043 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -25.3 | -174.2 | -76.1 | -12.2 | 0 | 0 | 0 | 114 | Q105 F106 H107 T115 H117 | Q105-N120 HydrophobicContact CB-CB 4.42Å; F106-N120 PolarHBondContact O-ND2 2.87Å; H107-N120 HydrophobicContact CB-CB 4.25Å; T115-N120 WeakPolarHBondContact O-CB 3.33Å; T115-N120 PolarHBondContact O-ND2 3.41Å; H117-N120 PolarHBondContact CE1-ND2 3.44Å; H117-N120 PolarHBondContact ND1-N 2.96Å; H117-N120 PolarHBondContact NE2-ND2 3.09Å; H117-N120 PolarHBondContact O-N 3.4Å |
| 121 | L | 94.7 | Very high | 93.2 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | trans | -58.5 | 150.6 | -179.8 | -70.7 | 174.6 | 0 | 0 | 0 | 111.1 | Q116 H117 K125 W126 M129 R449 | Q116-L121 HydrophobicContact CB-CD2 4.14Å; Q116-L121 HydrophobicContact CG-CD2 4.27Å; H117-L121 WeakPolarHBondContact O-CG 3.37Å; H117-L121 PolarHBondContact O-N 3.44Å; H117-L121 VanDerWaalsContact O-N 3.13Å; L121-K125 HydrophobicContact CD2-CB 4.31Å; L121-K125 HydrophobicContact CD2-CD 4.49Å; L121-W126 HydrophobicContact CB-CB 4.03Å; L121-W126 WeakPolarHBondContact O-CB 3.37Å; L121-M129 HydrophobicContact CD1-CB 3.98Å; L121-M129 HydrophobicContact CD1-CE 4.4Å; L121-M129 HydrophobicContact CD1-CG 4.06Å; L121-R449 PolarHBondContact O-NH1 3.5Å; L121-R449 PolarHBondContact O-NH2 3.04Å | ||
| 122 | D | 94.7 | Very high | 93 | Very high | 30 Ų | 30 | 35.4 Ų | 35.4 | 16% | 0.16 | 17% | 0.169 | C | C | . | . | trans | -130.1 | 169.1 | 177.7 | -83.4 | -24.1 | 0 | 0 | 0 | 111.4 | D102 R103 G104 K125 W126 R449 | D102-D122 VanDerWaalsContact CA-OD1 3.29Å; D102-D122 WeakPolarHBondContact CA-OD1 3.5Å; D102-D122 HydrophobicContact CB-CB 4.18Å; D102-D122 WeakPolarHBondContact CB-OD1 3.41Å; D102-D122 WeakPolarHBondContact OD1-CB 3.47Å; R103-D122 PolarHBondContact N-OD1 2.71Å; G104-D122 WeakPolarHBondContact CA-OD2 3.37Å; G104-D122 PolarHBondContact N-OD2 2.89Å; D122-K125 PolarHBondContact O-N 3.2Å; D122-W126 PolarHBondContact O-N 2.64Å; D122-R449 IonicContact OD1-CZ 3.98Å; D122-R449 IonicContact OD1-NH1 3.12Å; D122-R449 PolarHBondContact OD1-NH1 3.17Å; D122-R449 IonicContact OD1-NH2 2.64Å; D122-R449 PolarHBondContact OD1-NH2 2.91Å; D122-R449 VanDerWaalsContact OD1-NH2 3.17Å | ||
| 123 | G | 94 | Very high | 92.8 | Very high | 34 Ų | 34 | 35.4 Ų | 35.4 | 35% | 0.351 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | 55.8 | -140.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | D102 K125 W126 K127 | D102-G123 PolarHBondContact OD1-N 2.9Å; G123-K125 VanDerWaalsContact C-N 3.29Å; G123-K125 PolarHBondContact O-N 3.5Å; G123-W126 PolarHBondContact O-N 2.78Å; G123-K127 PolarHBondContact O-N 3.34Å; G123-K127 VanDerWaalsContact O-N 3.14Å |
| 124 | K | 92.5 | Very high | 92.7 | Very high | 132 Ų | 132 | 37.4 Ų | 37.4 | 57% | 0.574 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -58.2 | -39.5 | -178.7 | -170.2 | -178.2 | -172 | -55.4 | 0 | 112.5 | W126 K127 D128 | K124-W126 VanDerWaalsContact C-N 3.33Å; K124-W126 PolarHBondContact O-N 2.64Å; K124-K127 PolarHBondContact O-N 3.11Å; K124-D128 IonicContact NZ-OD1 2.96Å; K124-D128 PolarHBondContact NZ-OD1 3.05Å; K124-D128 IonicContact NZ-OD2 2.66Å; K124-D128 PolarHBondContact NZ-OD2 2.97Å; K124-D128 WeakPolarHBondContact O-CB 3.47Å; K124-D128 PolarHBondContact O-N 3.19Å |
| 125 | K | 91.8 | Very high | 92.3 | Very high | 112 Ų | 112 | 40.8 Ų | 40.8 | 49% | 0.487 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.8 | -42.4 | 179.9 | -69 | -167.4 | 172.5 | -158.1 | 0 | 112 | L121 D122 G123 M129 | L121-K125 HydrophobicContact CD2-CB 4.31Å; L121-K125 HydrophobicContact CD2-CD 4.49Å; D122-K125 PolarHBondContact O-N 3.2Å; G123-K125 VanDerWaalsContact C-N 3.29Å; G123-K125 PolarHBondContact O-N 3.5Å; K125-M129 VanDerWaalsContact O-CB 3.22Å; K125-M129 WeakPolarHBondContact O-CB 3.36Å; K125-M129 PolarHBondContact O-N 2.65Å |
| 126 | W | 95.1 | Very high | 91.8 | Very high | 16 Ų | 16 | 41.5 Ų | 41.5 | 6% | 0.061 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.4 | -47.4 | 174 | 170.3 | 78.2 | 0 | 0 | 0 | 112 | F97 L121 D122 G123 K124 D128 M129 R130 P448 R449 | F97-W126 AromaticContact CE1-CH2 3.91Å; F97-W126 HydrophobicContact CE1-CH2 3.91Å; F97-W126 AromaticContact CE1-CZ3 3.96Å; F97-W126 HydrophobicContact CE1-CZ3 3.96Å; F97-W126 AromaticContact CZ-CH2 3.47Å; F97-W126 HydrophobicContact CZ-CH2 3.47Å; F97-W126 VanDerWaalsContact CZ-CH2 3.47Å; F97-W126 HydrophobicContact CZ-CZ2 4.33Å; F97-W126 AromaticContact CZ-CZ3 3.73Å; F97-W126 HydrophobicContact CZ-CZ3 3.73Å; L121-W126 HydrophobicContact CB-CB 4.03Å; L121-W126 WeakPolarHBondContact O-CB 3.37Å; D122-W126 PolarHBondContact O-N 2.64Å; G123-W126 PolarHBondContact O-N 2.78Å; K124-W126 VanDerWaalsContact C-N 3.33Å; K124-W126 PolarHBondContact O-N 2.64Å; W126-D128 PolarHBondContact O-N 2.83Å; W126-M129 PolarHBondContact O-N 3.38Å; W126-R130 HydrophobicContact CZ2-CB 4.29Å; W126-R130 HydrophobicContact CZ2-CG 4.16Å; W126-R130 VanDerWaalsContact O-CB 3.3Å; W126-R130 WeakPolarHBondContact O-CB 3.19Å; W126-R130 PolarHBondContact O-N 3.07Å; W126-P448 HydrophobicContact CH2-CB 4.45Å; W126-R449 VanDerWaalsContact CD1-CZ 3.48Å; W126-R449 VanDerWaalsContact CE2-CD 3.45Å; W126-R449 HydrophobicContact CH2-CB 4.08Å; W126-R449 HydrophobicContact CH2-CG 4.32Å; W126-R449 HydrophobicContact CZ2-CB 3.57Å; W126-R449 HydrophobicContact CZ2-CG 3.45Å; W126-R449 VanDerWaalsContact CZ2-CG 3.45Å |
| 127 | K | 93.8 | Very high | 91.6 | Very high | 95 Ų | 95 | 41.2 Ų | 41.2 | 41% | 0.413 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.7 | -50.8 | -179.4 | -174.8 | -172.6 | 174.7 | -163.1 | 0 | 111 | G123 K124 M129 R130 Q131 | G123-K127 PolarHBondContact O-N 3.34Å; G123-K127 VanDerWaalsContact O-N 3.14Å; K124-K127 PolarHBondContact O-N 3.11Å; K127-M129 PolarHBondContact O-N 3.45Å; K127-R130 PolarHBondContact O-N 3.01Å; K127-Q131 WeakPolarHBondContact O-CG 3.49Å; K127-Q131 PolarHBondContact O-N 3.46Å |
| 128 | D | 90.8 | Very high | 91.4 | Very high | 18 Ų | 18 | 43.2 Ų | 43.2 | 10% | 0.096 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.2 | -48.3 | 178.4 | -65.6 | -4.5 | 0 | 0 | 0 | 110.5 | K124 W126 R130 Q131 R132 I292 | K124-D128 IonicContact NZ-OD1 2.96Å; K124-D128 PolarHBondContact NZ-OD1 3.05Å; K124-D128 IonicContact NZ-OD2 2.66Å; K124-D128 PolarHBondContact NZ-OD2 2.97Å; K124-D128 WeakPolarHBondContact O-CB 3.47Å; K124-D128 PolarHBondContact O-N 3.19Å; W126-D128 PolarHBondContact O-N 2.83Å; D128-R130 PolarHBondContact O-N 3.21Å; D128-Q131 PolarHBondContact O-N 3.02Å; D128-R132 VanDerWaalsContact O-CG 3.29Å; D128-R132 WeakPolarHBondContact O-CG 3.35Å; D128-R132 PolarHBondContact O-N 3.46Å; D128-I292 HydrophobicContact CB-CD1 4.16Å; D128-I292 HydrophobicContact CB-CG2 4.22Å |
| 129 | M | 91.3 | Very high | 91 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.02 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.6 | -41.2 | 179.5 | -171.7 | 59.3 | 72.5 | 0 | 0 | 111.9 | L118 L121 K125 W126 K127 Q131 R132 L133 M295 Q303 | L118-M129 HydrophobicContact CB-CG 4.25Å; L118-M129 HydrophobicContact CD1-CB 4.07Å; L118-M129 HydrophobicContact CD1-CG 3.9Å; L121-M129 HydrophobicContact CD1-CB 3.98Å; L121-M129 HydrophobicContact CD1-CE 4.4Å; L121-M129 HydrophobicContact CD1-CG 4.06Å; K125-M129 VanDerWaalsContact O-CB 3.22Å; K125-M129 WeakPolarHBondContact O-CB 3.36Å; K125-M129 PolarHBondContact O-N 2.65Å; W126-M129 PolarHBondContact O-N 3.38Å; K127-M129 PolarHBondContact O-N 3.45Å; M129-Q131 VanDerWaalsContact C-N 3.34Å; M129-Q131 PolarHBondContact O-N 3.34Å; M129-R132 PolarHBondContact O-N 3.27Å; M129-L133 HydrophobicContact CG-CD1 3.72Å; M129-L133 HydrophobicContact CG-CG 4.43Å; M129-L133 VanDerWaalsContact O-CG 3.26Å; M129-L133 WeakPolarHBondContact O-CG 3.34Å; M129-L133 PolarHBondContact O-N 2.99Å; M129-L133 VanDerWaalsContact O-N 3.1Å; M129-L133 HydrophobicContact SD-CD1 3.79Å; M129-L133 HydrophobicContact SD-CG 4.09Å; M129-M295 HydrophobicContact CE-CG 4.33Å; M129-M295 HydrophobicContact CE-SD 3.84Å; M129-M295 HydrophobicContact SD-SD 4.03Å; M129-Q303 HydrophobicContact CE-CG 4.29Å; M129-Q303 HydrophobicContact SD-CG 3.89Å |
| 130 | R | 94 | Very high | 90.7 | Very high | 39 Ų | 39 | 43.6 Ų | 43.6 | 15% | 0.147 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.6 | -43.9 | 176.9 | -177.5 | 59.8 | -178.4 | -135.5 | -2.9 | 111 | L118 W126 K127 D128 L133 T134 N450 | L118-R130 HydrophobicContact CD1-CB 3.89Å; W126-R130 HydrophobicContact CZ2-CB 4.29Å; W126-R130 HydrophobicContact CZ2-CG 4.16Å; W126-R130 VanDerWaalsContact O-CB 3.3Å; W126-R130 WeakPolarHBondContact O-CB 3.19Å; W126-R130 PolarHBondContact O-N 3.07Å; K127-R130 PolarHBondContact O-N 3.01Å; D128-R130 PolarHBondContact O-N 3.21Å; R130-L133 PolarHBondContact O-N 3.21Å; R130-T134 WeakPolarHBondContact O-CB 3.5Å; R130-T134 PolarHBondContact O-N 2.96Å; R130-T134 PolarHBondContact O-OG1 3.38Å; R130-N450 PolarHBondContact NH1-O 3.32Å; R130-N450 PolarHBondContact NH2-O 2.97Å; R130-N450 PolarHBondContact NH2-OD1 3.29Å |
| 131 | Q | 90.1 | Very high | 90.4 | Very high | 55 Ų | 55 | 48.2 Ų | 48.2 | 26% | 0.257 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 176.8 | -73.7 | 171.5 | -35.5 | 0 | 0 | 111.5 | K127 D128 M129 L133 P135 L286 | K127-Q131 WeakPolarHBondContact O-CG 3.49Å; K127-Q131 PolarHBondContact O-N 3.46Å; D128-Q131 PolarHBondContact O-N 3.02Å; M129-Q131 VanDerWaalsContact C-N 3.34Å; M129-Q131 PolarHBondContact O-N 3.34Å; Q131-L133 VanDerWaalsContact C-N 3.29Å; Q131-L133 PolarHBondContact O-N 2.82Å; Q131-P135 VanDerWaalsContact O-CD 3.27Å; Q131-P135 WeakPolarHBondContact O-CD 3.41Å; Q131-L286 HydrophobicContact CB-CD1 4.08Å; Q131-L286 HydrophobicContact CG-CD1 4.36Å; Q131-L286 VanDerWaalsContact OE1-CD1 3.25Å |
| 132 | R | 85.6 | Confident | 90.2 | Very high | 26 Ų | 26 | 48.2 Ų | 48.2 | 10% | 0.098 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.6 | -38.2 | 177.2 | -70 | 175.3 | -158.2 | -175.4 | 5.6 | 113.2 | D128 M129 L278 E293 | D128-R132 VanDerWaalsContact O-CG 3.29Å; D128-R132 WeakPolarHBondContact O-CG 3.35Å; D128-R132 PolarHBondContact O-N 3.46Å; M129-R132 PolarHBondContact O-N 3.27Å; R132-L278 HydrophobicContact CB-CD1 4.14Å; R132-E293 PolarHBondContact NH1-O 3.29Å; R132-E293 PolarHBondContact NH2-O 3.34Å |
| 133 | L | 88.9 | Confident | 90 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -92.9 | -18.9 | -172.3 | -62.4 | 171.1 | 0 | 0 | 0 | 114.1 | L118 M129 R130 Q131 P135 T136 F137 F271 L275 Q303 F307 I452 | L118-L133 HydrophobicContact CB-CD1 4.13Å; L118-L133 HydrophobicContact CD1-CD1 4.39Å; L118-L133 HydrophobicContact CD2-CD1 3.92Å; L118-L133 HydrophobicContact CG-CD1 4.36Å; M129-L133 HydrophobicContact CG-CD1 3.72Å; M129-L133 HydrophobicContact CG-CG 4.43Å; M129-L133 VanDerWaalsContact O-CG 3.26Å; M129-L133 WeakPolarHBondContact O-CG 3.34Å; M129-L133 PolarHBondContact O-N 2.99Å; M129-L133 VanDerWaalsContact O-N 3.1Å; M129-L133 HydrophobicContact SD-CD1 3.79Å; M129-L133 HydrophobicContact SD-CG 4.09Å; R130-L133 PolarHBondContact O-N 3.21Å; Q131-L133 VanDerWaalsContact C-N 3.29Å; Q131-L133 PolarHBondContact O-N 2.82Å; L133-P135 VanDerWaalsContact C-CD 3.48Å; L133-T136 WeakPolarHBondContact O-CB 3.38Å; L133-T136 PolarHBondContact O-N 2.78Å; L133-T136 PolarHBondContact O-OG1 3.47Å; L133-T136 VanDerWaalsContact O-OG1 3.05Å; L133-F137 WeakPolarHBondContact O-CD2 3.47Å; L133-F271 HydrophobicContact CD2-CE2 3.62Å; L133-F271 HydrophobicContact CD2-CZ 3.72Å; L133-L275 HydrophobicContact CD2-CD2 3.89Å; L133-Q303 HydrophobicContact CD1-CG 4.4Å; L133-F307 HydrophobicContact CD1-CE2 3.79Å; L133-F307 HydrophobicContact CD1-CZ 4.02Å; L133-F307 HydrophobicContact CD2-CE2 4.26Å; L133-I452 HydrophobicContact CB-CD1 3.72Å |
| 134 | T | 90.1 | Very high | 89.6 | Confident | 66 Ų | 66 | 56.1 Ų | 56.1 | 41% | 0.405 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -58.1 | -40.1 | -178.1 | -66.6 | 0 | 0 | 0 | 0 | 113.6 | R130 T136 F137 | R130-T134 WeakPolarHBondContact O-CB 3.5Å; R130-T134 PolarHBondContact O-N 2.96Å; R130-T134 PolarHBondContact O-OG1 3.38Å; T134-T136 PolarHBondContact O-N 3.18Å; T134-T136 VanDerWaalsContact O-N 3.11Å; T134-F137 PolarHBondContact O-N 2.96Å |
| 135 | P | 86.3 | Confident | 89.5 | Confident | 71 Ų | 71 | 51 Ų | 51 | 46% | 0.461 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -57.2 | -26.6 | 178 | -28.5 | 36.7 | 0 | 0 | 0 | 114.9 | Q131 L133 F137 T138 K141 | Q131-P135 VanDerWaalsContact O-CD 3.27Å; Q131-P135 WeakPolarHBondContact O-CD 3.41Å; L133-P135 VanDerWaalsContact C-CD 3.48Å; P135-F137 VanDerWaalsContact C-N 3.28Å; P135-F137 PolarHBondContact O-N 3.43Å; P135-T138 WeakPolarHBondContact O-CG2 3.47Å; P135-T138 PolarHBondContact O-OG1 2.98Å; P135-T138 VanDerWaalsContact O-OG1 3.11Å; P135-K141 WeakPolarHBondContact O-CG 3.39Å |
| 136 | T | 83.8 | Confident | 89.6 | Confident | 15 Ų | 15 | 46.3 Ų | 46.3 | 9% | 0.092 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -64.7 | -31.5 | 177 | -41 | 0 | 0 | 0 | 0 | 112.5 | L133 T134 K141 M142 F271 L274 | L133-T136 WeakPolarHBondContact O-CB 3.38Å; L133-T136 PolarHBondContact O-N 2.78Å; L133-T136 PolarHBondContact O-OG1 3.47Å; L133-T136 VanDerWaalsContact O-OG1 3.05Å; T134-T136 PolarHBondContact O-N 3.18Å; T134-T136 VanDerWaalsContact O-N 3.11Å; T136-K141 WeakPolarHBondContact O-CB 3.34Å; T136-M142 WeakPolarHBondContact O-CE 3.34Å; T136-F271 HydrophobicContact CG2-CB 4.45Å; T136-F271 HydrophobicContact CG2-CD2 3.52Å; T136-F271 HydrophobicContact CG2-CE2 4.17Å; T136-F271 HydrophobicContact CG2-CG 4.37Å; T136-L274 HydrophobicContact CG2-CD2 4.35Å; T136-L274 WeakPolarHBondContact OG1-CD2 3.07Å |
| 137 | F | 87.8 | Confident | 89.4 | Confident | 22 Ų | 22 | 49.5 Ų | 49.5 | 10% | 0.096 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -103.4 | 20.4 | -170.4 | -62.4 | -79.9 | 0 | 0 | 0 | 113.3 | L133 T134 P135 M142 F307 I452 R455 F456 | L133-F137 WeakPolarHBondContact O-CD2 3.47Å; T134-F137 PolarHBondContact O-N 2.96Å; P135-F137 VanDerWaalsContact C-N 3.28Å; P135-F137 PolarHBondContact O-N 3.43Å; F137-M142 HydrophobicContact CD1-CE 4.21Å; F137-F307 HydrophobicContact CE1-CE1 4.25Å; F137-F307 HydrophobicContact CE2-CD1 4.3Å; F137-F307 AromaticContact CE2-CE1 3.4Å; F137-F307 HydrophobicContact CE2-CE1 3.4Å; F137-F307 AromaticContact CE2-CZ 3.7Å; F137-F307 HydrophobicContact CE2-CZ 3.7Å; F137-F307 AromaticContact CZ-CD1 3.67Å; F137-F307 HydrophobicContact CZ-CD1 3.67Å; F137-F307 AromaticContact CZ-CE1 3.17Å; F137-F307 HydrophobicContact CZ-CE1 3.17Å; F137-F307 AromaticContact CZ-CZ 3.93Å; F137-F307 HydrophobicContact CZ-CZ 3.93Å; F137-I452 WeakPolarHBondContact CB-O 3.15Å; F137-I452 HydrophobicContact CD2-CB 4.49Å; F137-I452 HydrophobicContact CD2-CD1 3.82Å; F137-I452 HydrophobicContact CD2-CG1 3.66Å; F137-I452 HydrophobicContact CD2-CG2 4.31Å; F137-I452 HydrophobicContact CE2-CD1 4.13Å; F137-I452 HydrophobicContact CE2-CG1 4.23Å; F137-I452 HydrophobicContact CE2-CG2 4.12Å; F137-I452 HydrophobicContact CG-CG1 4.26Å; F137-I452 WeakPolarHBondContact CG-O 3.29Å; F137-R455 PolarHBondContact O-NH1 3.31Å; F137-F456 HydrophobicContact CD1-CB 4.28Å; F137-F456 HydrophobicContact CE1-CB 4.3Å |
| 138 | T | 89.3 | Confident | 89.4 | Confident | 56 Ų | 56 | 47 Ų | 47 | 34% | 0.344 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -72.2 | 155.9 | 175 | 58.1 | 0 | 0 | 0 | 0 | 111.6 | P135 G140 K141 M142 | P135-T138 WeakPolarHBondContact O-CG2 3.47Å; P135-T138 PolarHBondContact O-OG1 2.98Å; P135-T138 VanDerWaalsContact O-OG1 3.11Å; T138-G140 PolarHBondContact O-N 3.5Å; T138-K141 PolarHBondContact O-N 2.89Å; T138-K141 WeakPolarHBondContact OG1-CG 3.26Å; T138-M142 WeakPolarHBondContact O-CG 3.14Å; T138-M142 PolarHBondContact O-N 3.46Å |
| 139 | S | 88.4 | Confident | 89.5 | Confident | 62 Ų | 62 | 46.2 Ų | 46.2 | 43% | 0.434 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.8 | -36.6 | 178.7 | -51.4 | 0 | 0 | 0 | 0 | 112.6 | M142 K143 | S139-M142 PolarHBondContact O-N 3.2Å; S139-K143 PolarHBondContact O-N 2.83Å |
| 140 | G | 88.1 | Confident | 89.8 | Confident | 52 Ų | 52 | 47 Ų | 47 | 54% | 0.536 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T138 K143 F144 | T138-G140 PolarHBondContact O-N 3.5Å; G140-K143 PolarHBondContact O-N 2.84Å; G140-F144 WeakPolarHBondContact O-CB 3.32Å; G140-F144 PolarHBondContact O-N 3.4Å |
| 141 | K | 86.9 | Confident | 89.8 | Confident | 105 Ų | 105 | 51.8 Ų | 51.8 | 46% | 0.457 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -70 | -33.3 | 174.8 | -68.1 | -64.4 | -176.9 | 179.7 | 0 | 112.7 | P135 T136 T138 F144 M145 | P135-K141 WeakPolarHBondContact O-CG 3.39Å; T136-K141 WeakPolarHBondContact O-CB 3.34Å; T138-K141 PolarHBondContact O-N 2.89Å; T138-K141 WeakPolarHBondContact OG1-CG 3.26Å; K141-F144 PolarHBondContact O-N 3.43Å; K141-M145 WeakPolarHBondContact O-CG 3.13Å; K141-M145 PolarHBondContact O-N 3.07Å |
| 142 | M | 90.9 | Very high | 90.1 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.6 | -50.4 | 172.3 | -63 | -53.7 | 95 | 0 | 0 | 110.8 | T136 F137 T138 S139 F144 M145 F146 Y353 R455 F456 M459 | T136-M142 WeakPolarHBondContact O-CE 3.34Å; F137-M142 HydrophobicContact CD1-CE 4.21Å; T138-M142 WeakPolarHBondContact O-CG 3.14Å; T138-M142 PolarHBondContact O-N 3.46Å; S139-M142 PolarHBondContact O-N 3.2Å; M142-F144 PolarHBondContact O-N 3.41Å; M142-M145 HydrophobicContact CE-CE 3.14Å; M142-M145 PolarHBondContact O-N 3.27Å; M142-M145 VanDerWaalsContact O-N 3.1Å; M142-M145 HydrophobicContact SD-CE 4.1Å; M142-F146 PolarHBondContact O-N 2.94Å; M142-Y353 HydrophobicContact CB-CE2 4.14Å; M142-R455 HydrophobicContact CG-CB 4Å; M142-R455 HydrophobicContact SD-CB 4.1Å; M142-F456 HydrophobicContact SD-CB 3.84Å; M142-F456 HydrophobicContact SD-CD2 4.28Å; M142-M459 HydrophobicContact CB-SD 4.23Å; M142-M459 HydrophobicContact SD-CE 4.2Å |
| 143 | K | 90 | Very high | 90.6 | Very high | 118 Ų | 118 | 48.6 Ų | 48.6 | 51% | 0.513 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.4 | -36.1 | 176.8 | -171.7 | 170.4 | -176.6 | 165.3 | 0 | 112.1 | S139 G140 F146 Y353 | S139-K143 PolarHBondContact O-N 2.83Å; G140-K143 PolarHBondContact O-N 2.84Å; K143-F146 WeakPolarHBondContact O-CB 3.3Å; K143-Y353 HydrophobicContact CB-CD2 4.24Å; K143-Y353 HydrophobicContact CB-CE2 4.29Å; K143-Y353 HydrophobicContact CB-CG 4.47Å; K143-Y353 HydrophobicContact CG-CD2 4.42Å; K143-Y353 HydrophobicContact CG-CG 4.26Å |
| 144 | F | 87.1 | Confident | 90.9 | Very high | 113 Ų | 113 | 53.3 Ų | 53.3 | 50% | 0.496 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.8 | -40.5 | 175 | -179.3 | -94.9 | 0 | 0 | 0 | 113.4 | G140 K141 M142 F146 P147 N269 | G140-F144 WeakPolarHBondContact O-CB 3.32Å; G140-F144 PolarHBondContact O-N 3.4Å; K141-F144 PolarHBondContact O-N 3.43Å; M142-F144 PolarHBondContact O-N 3.41Å; F144-F146 VanDerWaalsContact C-N 3.33Å; F144-P147 WeakPolarHBondContact O-CD 3.26Å; F144-N269 HydrophobicContact CE1-CB 3.84Å; F144-N269 WeakPolarHBondContact CE1-O 3.19Å; F144-N269 HydrophobicContact CZ-CB 3.78Å |
| 145 | M | 90 | Very high | 91.1 | Very high | 24 Ų | 24 | 52.6 Ų | 52.6 | 12% | 0.118 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -76.6 | -21 | 177.8 | -71.8 | -172.7 | -71.4 | 0 | 0 | 113.1 | K141 M142 T148 V149 C190 F456 M459 | K141-M145 WeakPolarHBondContact O-CG 3.13Å; K141-M145 PolarHBondContact O-N 3.07Å; M142-M145 HydrophobicContact CE-CE 3.14Å; M142-M145 PolarHBondContact O-N 3.27Å; M142-M145 VanDerWaalsContact O-N 3.1Å; M142-M145 HydrophobicContact SD-CE 4.1Å; M145-T148 VanDerWaalsContact O-CB 3.29Å; M145-T148 WeakPolarHBondContact O-CB 3.49Å; M145-T148 PolarHBondContact O-N 3.46Å; M145-V149 PolarHBondContact O-N 3Å; M145-C190 HydrophobicContact SD-CB 3.98Å; M145-F456 HydrophobicContact CE-CD2 3.89Å; M145-F456 HydrophobicContact CE-CE2 4.23Å; M145-F456 HydrophobicContact SD-CD2 4.44Å; M145-F456 HydrophobicContact SD-CE2 4.18Å; M145-M459 HydrophobicContact CB-CE 4.44Å |
| 146 | F | 92.6 | Very high | 91.6 | Very high | 14 Ų | 14 | 49.2 Ų | 49.2 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -50 | -47.4 | -174.6 | -173.9 | -87.9 | 0 | 0 | 0 | 114.2 | M142 K143 F144 T148 V149 I150 L351 T352 Y353 I356 M459 I463 | M142-F146 PolarHBondContact O-N 2.94Å; K143-F146 WeakPolarHBondContact O-CB 3.3Å; F144-F146 VanDerWaalsContact C-N 3.33Å; F146-T148 PolarHBondContact O-N 3.03Å; F146-V149 PolarHBondContact O-N 3.42Å; F146-I150 HydrophobicContact CD1-CG1 3.79Å; F146-I150 HydrophobicContact CE1-CD1 3.73Å; F146-I150 HydrophobicContact CE1-CG1 3.4Å; F146-I150 VanDerWaalsContact CE1-CG1 3.4Å; F146-I150 HydrophobicContact CZ-CD1 3.74Å; F146-I150 HydrophobicContact CZ-CG1 3.94Å; F146-I150 WeakPolarHBondContact O-CG1 3.34Å; F146-I150 PolarHBondContact O-N 3.47Å; F146-L351 VanDerWaalsContact CE1-O 3.22Å; F146-L351 WeakPolarHBondContact CE1-O 3.48Å; F146-T352 VanDerWaalsContact CE1-C 3.48Å; F146-T352 WeakPolarHBondContact CZ-O 3.48Å; F146-Y353 HydrophobicContact CB-CD2 4.14Å; F146-Y353 AromaticContact CD2-CD2 3.61Å; F146-Y353 HydrophobicContact CD2-CD2 3.61Å; F146-Y353 HydrophobicContact CD2-CE2 4.47Å; F146-Y353 HydrophobicContact CD2-CG 4.41Å; F146-Y353 HydrophobicContact CE2-CD2 4.21Å; F146-Y353 AromaticContact CG-CD2 3.98Å; F146-Y353 HydrophobicContact CG-CD2 3.98Å; F146-I356 HydrophobicContact CE2-CB 4.45Å; F146-I356 HydrophobicContact CE2-CG1 4.1Å; F146-I356 HydrophobicContact CZ-CG1 4.16Å; F146-M459 HydrophobicContact CB-SD 4.19Å; F146-M459 HydrophobicContact CD2-CG 4.09Å; F146-M459 HydrophobicContact CD2-SD 3.84Å; F146-I463 HydrophobicContact CD2-CD1 3.87Å; F146-I463 HydrophobicContact CE2-CD1 3.59Å; F146-I463 HydrophobicContact CE2-CG1 4.06Å; F146-I463 HydrophobicContact CZ-CD1 4.24Å |
| 147 | P | 92.7 | Very high | 92.2 | Very high | 82 Ų | 82 | 49.2 Ų | 49.2 | 53% | 0.532 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.9 | -31.3 | 178 | -23.1 | 35.1 | 0 | 0 | 0 | 113.7 | F144 I150 K151 | F144-P147 WeakPolarHBondContact O-CD 3.26Å; P147-I150 PolarHBondContact O-N 2.96Å; P147-K151 PolarHBondContact O-N 3.4Å |
| 148 | T | 92.1 | Very high | 92.5 | Very high | 44 Ų | 44 | 53.1 Ų | 53.1 | 27% | 0.27 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68 | -42.3 | 175.8 | -57.5 | 0 | 0 | 0 | 0 | 110.6 | M145 F146 I150 K151 V152 T189 C190 | M145-T148 VanDerWaalsContact O-CB 3.29Å; M145-T148 WeakPolarHBondContact O-CB 3.49Å; M145-T148 PolarHBondContact O-N 3.46Å; F146-T148 PolarHBondContact O-N 3.03Å; T148-I150 VanDerWaalsContact C-N 3.33Å; T148-K151 PolarHBondContact O-N 3.44Å; T148-V152 WeakPolarHBondContact O-CG2 3.36Å; T148-V152 PolarHBondContact O-N 3.38Å; T148-V152 VanDerWaalsContact O-N 3.13Å; T148-T189 HydrophobicContact CG2-CG2 3.37Å; T148-C190 VanDerWaalsContact CG2-SG 3.56Å |
| 149 | V | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 176.4 | -171.3 | 0 | 0 | 0 | 0 | 110.8 | M145 F146 V152 S153 V186 M459 Q460 I463 | M145-V149 PolarHBondContact O-N 3Å; F146-V149 PolarHBondContact O-N 3.42Å; V149-V152 PolarHBondContact O-N 3.5Å; V149-S153 WeakPolarHBondContact O-CB 3.4Å; V149-S153 PolarHBondContact O-N 2.77Å; V149-V186 HydrophobicContact CG1-CG1 4.23Å; V149-V186 HydrophobicContact CG1-CG2 4.06Å; V149-V186 HydrophobicContact CG2-CG1 4.11Å; V149-M459 HydrophobicContact CG2-CE 3.98Å; V149-Q460 HydrophobicContact CG1-CB 4.31Å; V149-I463 HydrophobicContact CB-CD1 3.92Å; V149-I463 HydrophobicContact CG1-CB 4.42Å; V149-I463 HydrophobicContact CG1-CD1 3.54Å; V149-I463 HydrophobicContact CG1-CG2 4.31Å |
| 150 | I | 95.6 | Very high | 93.1 | Very high | 22 Ų | 22 | 47.9 Ų | 47.9 | 11% | 0.113 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.5 | -49.1 | 174.2 | -67 | -58.5 | 0 | 0 | 0 | 111.1 | F146 P147 T148 V152 S153 E154 L351 I463 | F146-I150 HydrophobicContact CD1-CG1 3.79Å; F146-I150 HydrophobicContact CE1-CD1 3.73Å; F146-I150 HydrophobicContact CE1-CG1 3.4Å; F146-I150 VanDerWaalsContact CE1-CG1 3.4Å; F146-I150 HydrophobicContact CZ-CD1 3.74Å; F146-I150 HydrophobicContact CZ-CG1 3.94Å; F146-I150 WeakPolarHBondContact O-CG1 3.34Å; F146-I150 PolarHBondContact O-N 3.47Å; P147-I150 PolarHBondContact O-N 2.96Å; T148-I150 VanDerWaalsContact C-N 3.33Å; I150-V152 VanDerWaalsContact C-N 3.32Å; I150-V152 PolarHBondContact O-N 2.86Å; I150-S153 WeakPolarHBondContact CA-OG 3.49Å; I150-S153 CarbonylContact O-C 3.51Å; I150-S153 WeakPolarHBondContact O-CA 3.34Å; I150-S153 WeakPolarHBondContact O-CB 3.39Å; I150-S153 PolarHBondContact O-N 3.29Å; I150-S153 PolarHBondContact O-OG 3.03Å; I150-E154 HydrophobicContact CG2-CG 4.35Å; I150-E154 WeakPolarHBondContact O-CG 3.49Å; I150-E154 PolarHBondContact O-N 2.59Å; I150-L351 HydrophobicContact CD1-CB 3.78Å; I150-I463 HydrophobicContact CD1-CD1 4.18Å; I150-I463 HydrophobicContact CD1-CG1 4.27Å; I150-I463 HydrophobicContact CD1-CG2 3.98Å |
| 151 | K | 94.5 | Very high | 93.4 | Very high | 138 Ų | 138 | 47.4 Ų | 47.4 | 60% | 0.6 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -55.8 | -44.7 | 177.3 | -176.7 | -178.3 | 176.7 | -170.5 | 0 | 112.4 | P147 T148 S153 E154 E155 | P147-K151 PolarHBondContact O-N 3.4Å; T148-K151 PolarHBondContact O-N 3.44Å; K151-S153 VanDerWaalsContact C-N 3.29Å; K151-S153 PolarHBondContact O-N 3.03Å; K151-E154 PolarHBondContact O-N 3.4Å; K151-E155 PolarHBondContact O-N 3.36Å |
| 152 | V | 96.1 | Very high | 93.6 | Very high | 15 Ų | 15 | 48.1 Ų | 48.1 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.1 | -37.1 | 175.7 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | T148 V149 I150 E155 F156 F182 D185 V186 L199 | T148-V152 WeakPolarHBondContact O-CG2 3.36Å; T148-V152 PolarHBondContact O-N 3.38Å; T148-V152 VanDerWaalsContact O-N 3.13Å; V149-V152 PolarHBondContact O-N 3.5Å; I150-V152 VanDerWaalsContact C-N 3.32Å; I150-V152 PolarHBondContact O-N 2.86Å; V152-E155 PolarHBondContact O-N 3.18Å; V152-F156 VanDerWaalsContact O-CB 3.32Å; V152-F156 WeakPolarHBondContact O-CB 3.21Å; V152-F156 PolarHBondContact O-N 3Å; V152-F182 HydrophobicContact CG1-CD2 3.92Å; V152-F182 HydrophobicContact CG1-CE2 3.98Å; V152-D185 HydrophobicContact CG1-CB 3.74Å; V152-V186 HydrophobicContact CB-CG2 4.05Å; V152-V186 HydrophobicContact CG1-CG2 3.74Å; V152-L199 HydrophobicContact CG1-CD1 4.09Å |
| 153 | S | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.4 | -30.2 | 179.1 | 83.7 | 0 | 0 | 0 | 0 | 114 | V149 I150 K151 F156 V157 Q467 | V149-S153 WeakPolarHBondContact O-CB 3.4Å; V149-S153 PolarHBondContact O-N 2.77Å; I150-S153 WeakPolarHBondContact CA-OG 3.49Å; I150-S153 CarbonylContact O-C 3.51Å; I150-S153 WeakPolarHBondContact O-CA 3.34Å; I150-S153 WeakPolarHBondContact O-CB 3.39Å; I150-S153 PolarHBondContact O-N 3.29Å; I150-S153 PolarHBondContact O-OG 3.03Å; K151-S153 VanDerWaalsContact C-N 3.29Å; K151-S153 PolarHBondContact O-N 3.03Å; S153-F156 WeakPolarHBondContact O-CB 3.42Å; S153-F156 PolarHBondContact O-N 3.02Å; S153-V157 WeakPolarHBondContact O-CG2 3.3Å; S153-V157 PolarHBondContact O-N 2.9Å; S153-Q467 PolarHBondContact OG-NE2 2.73Å |
| 154 | E | 95.1 | Very high | 93.6 | Very high | 98 Ų | 98 | 46.2 Ų | 46.2 | 46% | 0.458 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.8 | -43.6 | 172.6 | -70.4 | 169.5 | 173.5 | 0 | 0 | 110.6 | I150 K151 F156 V157 K158 | I150-E154 HydrophobicContact CG2-CG 4.35Å; I150-E154 WeakPolarHBondContact O-CG 3.49Å; I150-E154 PolarHBondContact O-N 2.59Å; K151-E154 PolarHBondContact O-N 3.4Å; E154-F156 VanDerWaalsContact C-N 3.27Å; E154-F156 PolarHBondContact O-N 2.83Å; E154-V157 PolarHBondContact O-N 3.5Å; E154-K158 WeakPolarHBondContact O-CG 3.46Å; E154-K158 PolarHBondContact O-N 3.38Å |
| 155 | E | 95.9 | Very high | 93.2 | Very high | 52 Ų | 52 | 44.1 Ų | 44.1 | 24% | 0.243 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.3 | -39 | 174.6 | -167.9 | 58.2 | -157.1 | 0 | 0 | 111.5 | K151 V152 K158 V159 R200 | K151-E155 PolarHBondContact O-N 3.36Å; V152-E155 PolarHBondContact O-N 3.18Å; E155-K158 WeakPolarHBondContact O-CB 3.5Å; E155-K158 PolarHBondContact O-N 3.13Å; E155-K158 IonicContact OE2-NZ 3.53Å; E155-K158 PolarHBondContact OE2-NZ 3.34Å; E155-V159 WeakPolarHBondContact O-CG2 3.25Å; E155-V159 PolarHBondContact O-N 2.94Å; E155-R200 IonicContact OE1-CZ 3.07Å; E155-R200 IonicContact OE1-NE 2.67Å; E155-R200 PolarHBondContact OE1-NE 2.92Å; E155-R200 IonicContact OE1-NH2 2.95Å; E155-R200 PolarHBondContact OE1-NH2 2.91Å |
| 156 | F | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.2 | -47.7 | 174.1 | 176.2 | -124.2 | 0 | 0 | 0 | 112.6 | V152 S153 E154 K158 V159 I160 L178 M179 F182 L199 I468 | V152-F156 VanDerWaalsContact O-CB 3.32Å; V152-F156 WeakPolarHBondContact O-CB 3.21Å; V152-F156 PolarHBondContact O-N 3Å; S153-F156 WeakPolarHBondContact O-CB 3.42Å; S153-F156 PolarHBondContact O-N 3.02Å; E154-F156 VanDerWaalsContact C-N 3.27Å; E154-F156 PolarHBondContact O-N 2.83Å; F156-K158 PolarHBondContact O-N 2.97Å; F156-V159 PolarHBondContact O-N 3.42Å; F156-I160 HydrophobicContact CD1-CD1 4.42Å; F156-I160 HydrophobicContact CD2-CD1 4.33Å; F156-I160 HydrophobicContact CD2-CG1 4.47Å; F156-I160 HydrophobicContact CE1-CD1 3.76Å; F156-I160 HydrophobicContact CE2-CD1 3.65Å; F156-I160 HydrophobicContact CE2-CG1 4Å; F156-I160 HydrophobicContact CZ-CD1 3.28Å; F156-I160 HydrophobicContact CZ-CG1 4.14Å; F156-I160 WeakPolarHBondContact O-CG1 3.49Å; F156-I160 PolarHBondContact O-N 3.23Å; F156-L178 HydrophobicContact CD2-CD1 4.37Å; F156-L178 HydrophobicContact CE2-CD1 3.61Å; F156-L178 HydrophobicContact CE2-CD2 4.21Å; F156-L178 HydrophobicContact CE2-CG 3.62Å; F156-L178 HydrophobicContact CZ-CD2 4.37Å; F156-L178 HydrophobicContact CZ-CG 4.12Å; F156-M179 HydrophobicContact CE1-CE 3.85Å; F156-M179 HydrophobicContact CE2-CE 3.89Å; F156-M179 HydrophobicContact CZ-CE 3.13Å; F156-F182 HydrophobicContact CB-CD2 3.77Å; F156-F182 HydrophobicContact CB-CE2 4.28Å; F156-F182 HydrophobicContact CD1-CD2 4.03Å; F156-F182 HydrophobicContact CD1-CE2 4.39Å; F156-F182 HydrophobicContact CD1-CG 4.23Å; F156-F182 HydrophobicContact CD2-CB 3.93Å; F156-F182 HydrophobicContact CD2-CD2 4.29Å; F156-F182 HydrophobicContact CD2-CG 4.31Å; F156-F182 HydrophobicContact CE2-CB 4.1Å; F156-F182 HydrophobicContact CG-CB 4.23Å; F156-F182 AromaticContact CG-CD2 3.76Å; F156-F182 HydrophobicContact CG-CD2 3.76Å; F156-F182 HydrophobicContact CG-CE2 4.43Å; F156-F182 HydrophobicContact CG-CG 4.1Å; F156-L199 HydrophobicContact CB-CD1 3.92Å; F156-L199 HydrophobicContact CD2-CD1 4.49Å; F156-L199 HydrophobicContact CD2-CD2 3.62Å; F156-L199 HydrophobicContact CE2-CD2 4.35Å; F156-I468 HydrophobicContact CE1-CD1 3.78Å; F156-I468 HydrophobicContact CE1-CG1 3.75Å; F156-I468 HydrophobicContact CZ-CD1 3.86Å; F156-I468 HydrophobicContact CZ-CG1 4.15Å |
| 157 | V | 95.4 | Very high | 91.2 | Very high | 15 Ų | 15 | 49.9 Ų | 49.9 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 175.3 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | S153 E154 V159 I160 T161 Q467 F472 | S153-V157 WeakPolarHBondContact O-CG2 3.3Å; S153-V157 PolarHBondContact O-N 2.9Å; E154-V157 PolarHBondContact O-N 3.5Å; V157-V159 VanDerWaalsContact C-N 3.35Å; V157-V159 PolarHBondContact O-N 3.06Å; V157-I160 PolarHBondContact O-N 3.04Å; V157-T161 VanDerWaalsContact O-CB 3.28Å; V157-T161 WeakPolarHBondContact O-CB 3.48Å; V157-T161 PolarHBondContact O-N 3.29Å; V157-T161 PolarHBondContact O-OG1 3.46Å; V157-Q467 HydrophobicContact CG2-CB 3.75Å; V157-Q467 HydrophobicContact CG2-CG 4.27Å; V157-F472 HydrophobicContact CG1-CE2 4.47Å |
| 158 | K | 95.4 | Very high | 89.8 | Confident | 104 Ų | 104 | 55.1 Ų | 55.1 | 45% | 0.452 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 176.5 | -69.4 | 172.9 | -164.2 | 165.5 | 0 | 111.6 | E154 E155 F156 I160 T161 E162 | E154-K158 WeakPolarHBondContact O-CG 3.46Å; E154-K158 PolarHBondContact O-N 3.38Å; E155-K158 WeakPolarHBondContact O-CB 3.5Å; E155-K158 PolarHBondContact O-N 3.13Å; E155-K158 IonicContact OE2-NZ 3.53Å; E155-K158 PolarHBondContact OE2-NZ 3.34Å; F156-K158 PolarHBondContact O-N 2.97Å; K158-I160 PolarHBondContact O-N 3.44Å; K158-T161 WeakPolarHBondContact O-CB 3.33Å; K158-T161 PolarHBondContact O-N 3.44Å; K158-E162 VanDerWaalsContact O-CG 3.31Å; K158-E162 WeakPolarHBondContact O-CG 3.46Å; K158-E162 PolarHBondContact O-N 2.97Å |
| 159 | V | 94.7 | Very high | 88.9 | Confident | 5 Ų | 5 | 58.5 Ų | 58.5 | 3% | 0.03 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 178.7 | 169 | 0 | 0 | 0 | 0 | 111.9 | E155 F156 V157 T161 E162 Q163 L199 R200 | E155-V159 WeakPolarHBondContact O-CG2 3.25Å; E155-V159 PolarHBondContact O-N 2.94Å; F156-V159 PolarHBondContact O-N 3.42Å; V157-V159 VanDerWaalsContact C-N 3.35Å; V157-V159 PolarHBondContact O-N 3.06Å; V159-T161 VanDerWaalsContact C-N 3.34Å; V159-E162 PolarHBondContact O-N 2.96Å; V159-Q163 VanDerWaalsContact CG1-NE2 3.26Å; V159-Q163 WeakPolarHBondContact O-CG 3.48Å; V159-Q163 PolarHBondContact O-N 3.27Å; V159-Q163 VanDerWaalsContact O-N 3.15Å; V159-L199 WeakPolarHBondContact CG1-O 3.25Å; V159-L199 HydrophobicContact CG2-CB 4.35Å; V159-R200 HydrophobicContact CG2-CG 4.16Å |
| 160 | I | 95 | Very high | 88.6 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 174.4 | -63.8 | 176.5 | 0 | 0 | 0 | 110.2 | F156 V157 K158 E162 Q163 V164 L173 L178 I468 F472 V503 | F156-I160 HydrophobicContact CD1-CD1 4.42Å; F156-I160 HydrophobicContact CD2-CD1 4.33Å; F156-I160 HydrophobicContact CD2-CG1 4.47Å; F156-I160 HydrophobicContact CE1-CD1 3.76Å; F156-I160 HydrophobicContact CE2-CD1 3.65Å; F156-I160 HydrophobicContact CE2-CG1 4Å; F156-I160 HydrophobicContact CZ-CD1 3.28Å; F156-I160 HydrophobicContact CZ-CG1 4.14Å; F156-I160 WeakPolarHBondContact O-CG1 3.49Å; F156-I160 PolarHBondContact O-N 3.23Å; V157-I160 PolarHBondContact O-N 3.04Å; K158-I160 PolarHBondContact O-N 3.44Å; I160-E162 PolarHBondContact O-N 3.16Å; I160-Q163 CarbonylContact O-C 3.52Å; I160-Q163 PolarHBondContact O-N 3.14Å; I160-V164 HydrophobicContact CG2-CG2 3.8Å; I160-V164 WeakPolarHBondContact O-CB 3.48Å; I160-V164 WeakPolarHBondContact O-CG2 3.31Å; I160-V164 PolarHBondContact O-N 3.35Å; I160-L173 HydrophobicContact CG2-CD1 4.21Å; I160-L178 HydrophobicContact CD1-CD2 4Å; I160-L178 HydrophobicContact CG1-CD1 4.27Å; I160-L178 HydrophobicContact CG1-CD2 3.92Å; I160-I468 HydrophobicContact CD1-CD1 4.5Å; I160-I468 HydrophobicContact CD1-CG1 4.05Å; I160-F472 HydrophobicContact CB-CE1 4.44Å; I160-F472 HydrophobicContact CB-CE2 4.22Å; I160-F472 HydrophobicContact CB-CZ 3.89Å; I160-F472 HydrophobicContact CG2-CD1 4.04Å; I160-F472 HydrophobicContact CG2-CD2 4.29Å; I160-F472 HydrophobicContact CG2-CE1 3.51Å; I160-F472 HydrophobicContact CG2-CE2 3.82Å; I160-F472 HydrophobicContact CG2-CG 4.4Å; I160-F472 HydrophobicContact CG2-CZ 3.4Å; I160-V503 HydrophobicContact CG2-CG1 4.3Å |
| 161 | T | 93.8 | Very high | 88.6 | Confident | 42 Ų | 42 | 59.3 Ų | 59.3 | 26% | 0.258 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -55.5 | -53 | 178.4 | -58.4 | 0 | 0 | 0 | 0 | 109.1 | V157 K158 V159 Q163 V164 R505 | V157-T161 VanDerWaalsContact O-CB 3.28Å; V157-T161 WeakPolarHBondContact O-CB 3.48Å; V157-T161 PolarHBondContact O-N 3.29Å; V157-T161 PolarHBondContact O-OG1 3.46Å; K158-T161 WeakPolarHBondContact O-CB 3.33Å; K158-T161 PolarHBondContact O-N 3.44Å; V159-T161 VanDerWaalsContact C-N 3.34Å; T161-Q163 PolarHBondContact O-N 2.94Å; T161-Q163 VanDerWaalsContact O-N 3.15Å; T161-V164 CarbonylContact O-C 3.54Å; T161-V164 PolarHBondContact O-N 2.67Å; T161-V164 VanDerWaalsContact O-N 3.16Å; T161-R505 VanDerWaalsContact C-NH2 3.32Å; T161-R505 VanDerWaalsContact CG2-NH2 3.33Å; T161-R505 PolarHBondContact O-NH2 2.86Å |
| 162 | E | 92.2 | Very high | 88.6 | Confident | 120 Ų | 120 | 55.8 Ų | 55.8 | 56% | 0.561 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -54 | -35.3 | 176.2 | -70.7 | 166.6 | -156 | 0 | 0 | 113.4 | K158 V159 I160 R200 | K158-E162 VanDerWaalsContact O-CG 3.31Å; K158-E162 WeakPolarHBondContact O-CG 3.46Å; K158-E162 PolarHBondContact O-N 2.97Å; V159-E162 PolarHBondContact O-N 2.96Å; I160-E162 PolarHBondContact O-N 3.16Å; E162-R200 IonicContact OE1-CZ 3.64Å; E162-R200 IonicContact OE1-NH1 3.36Å; E162-R200 PolarHBondContact OE1-NH1 3.32Å; E162-R200 IonicContact OE1-NH2 3.79Å; E162-R200 PolarHBondContact OE1-NH2 3.14Å; E162-R200 IonicContact OE2-CZ 3.78Å; E162-R200 IonicContact OE2-NH1 2.89Å; E162-R200 PolarHBondContact OE2-NH1 3.44Å; E162-R200 IonicContact OE2-NH2 3.44Å |
| 163 | Q | 90.2 | Very high | 88.6 | Confident | 81 Ų | 81 | 55.7 Ų | 55.7 | 38% | 0.379 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -84.4 | -24.3 | -179.8 | -70.1 | 177.1 | 35.2 | 0 | 0 | 114.8 | V159 I160 T161 P165 L173 | V159-Q163 VanDerWaalsContact CG1-NE2 3.26Å; V159-Q163 WeakPolarHBondContact O-CG 3.48Å; V159-Q163 PolarHBondContact O-N 3.27Å; V159-Q163 VanDerWaalsContact O-N 3.15Å; I160-Q163 CarbonylContact O-C 3.52Å; I160-Q163 PolarHBondContact O-N 3.14Å; T161-Q163 PolarHBondContact O-N 2.94Å; T161-Q163 VanDerWaalsContact O-N 3.15Å; Q163-P165 WeakPolarHBondContact O-CD 3.29Å; Q163-L173 HydrophobicContact CB-CD2 4.15Å |
| 164 | V | 90.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -105.7 | 102.3 | -178.1 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | I160 T161 A171 L173 F472 V503 R505 | I160-V164 HydrophobicContact CG2-CG2 3.8Å; I160-V164 WeakPolarHBondContact O-CB 3.48Å; I160-V164 WeakPolarHBondContact O-CG2 3.31Å; I160-V164 PolarHBondContact O-N 3.35Å; T161-V164 CarbonylContact O-C 3.54Å; T161-V164 PolarHBondContact O-N 2.67Å; T161-V164 VanDerWaalsContact O-N 3.16Å; V164-A171 HydrophobicContact CG2-CB 4.23Å; V164-L173 HydrophobicContact CG2-CD1 3.86Å; V164-L173 HydrophobicContact CG2-CG 4.45Å; V164-F472 HydrophobicContact CB-CE1 4.41Å; V164-V503 WeakPolarHBondContact CG1-O 3.27Å; V164-V503 HydrophobicContact CG2-CB 4.05Å; V164-V503 HydrophobicContact CG2-CG1 3.96Å; V164-R505 HydrophobicContact CB-CG 4.49Å; V164-R505 HydrophobicContact CG1-CG 3.99Å; V164-R505 PolarHBondContact O-NE 3Å; V164-R505 PolarHBondContact O-NH2 2.84Å |
| 165 | P | 79.1 | Confident | 88.7 | Confident | 69 Ų | 69 | 53.3 Ų | 53.3 | 45% | 0.448 | 30% | 0.302 | S | S | . | . | trans | -61.5 | 154.4 | 177.4 | -19.4 | 32.1 | 0 | 0 | 0 | 111.4 | Q163 A167 | Q163-P165 WeakPolarHBondContact O-CD 3.29Å; P165-A167 HydrophobicContact CB-CB 4.3Å; P165-A167 PolarHBondContact O-N 3.36Å; P165-A167 VanDerWaalsContact O-N 3.13Å | ||
| 166 | A | 73.7 | Confident | 88.7 | Confident | 89 Ų | 89 | 52.5 Ų | 52.5 | 74% | 0.736 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -71.8 | 3.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 167 | A | 66.6 | Low | 88.5 | Confident | 69 Ų | 69 | 54.8 Ų | 54.8 | 57% | 0.57 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -75.8 | 160.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P165 N169 G170 | P165-A167 HydrophobicContact CB-CB 4.3Å; P165-A167 PolarHBondContact O-N 3.36Å; P165-A167 VanDerWaalsContact O-N 3.13Å; A167-N169 PolarHBondContact O-N 3.32Å; A167-G170 PolarHBondContact O-N 2.93Å |
| 168 | Q | 62.1 | Low | 88.5 | Confident | 193 Ų | 193 | 54.4 Ų | 54.4 | 90% | 0.902 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -1 | -160.7 | -93 | 176 | -16.2 | 0 | 0 | 118.7 | ||
| 169 | N | 75.3 | Confident | 88.6 | Confident | 115 Ų | 115 | 49.4 Ų | 49.4 | 62% | 0.615 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.4 | 8.1 | -175.2 | -67.8 | -25.8 | 0 | 0 | 0 | 115 | A167 R502 | A167-N169 PolarHBondContact O-N 3.32Å; N169-R502 PolarHBondContact O-NH1 3.06Å |
| 170 | G | 88.1 | Confident | 88.5 | Confident | 20 Ų | 20 | 49.2 Ų | 49.2 | 21% | 0.206 | 28% | 0.283 | C | S | . | . | trans | 59 | -154.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A167 V503 | A167-G170 PolarHBondContact O-N 2.93Å; G170-V503 CarbonylContact C-O 3.55Å; G170-V503 WeakPolarHBondContact CA-O 3.24Å | ||
| 171 | A | 94.4 | Very high | 88.5 | Confident | 19 Ų | 19 | 50.1 Ų | 50.1 | 16% | 0.157 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 150.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V164 L173 V503 | V164-A171 HydrophobicContact CG2-CB 4.23Å; A171-L173 HydrophobicContact CB-CD2 4.22Å; A171-V503 PolarHBondContact N-O 3.45Å; A171-V503 PolarHBondContact O-N 2.96Å |
| 172 | V | 95.8 | Very high | 88.6 | Confident | 63 Ų | 63 | 48.1 Ų | 48.1 | 38% | 0.382 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 119 | 170.5 | 177.3 | 0 | 0 | 0 | 0 | 108.3 | C477 Y500 L501 | V172-C477 HydrophobicContact CG2-CB 4.15Å; V172-Y500 HydrophobicContact CG1-CD1 4.41Å; V172-L501 WeakPolarHBondContact CA-O 3.29Å |
| 173 | L | 96.2 | Very high | 88.8 | Confident | 13 Ų | 13 | 42.4 Ų | 42.4 | 7% | 0.068 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 144.9 | 179.6 | -56.9 | -173.6 | 0 | 0 | 0 | 110.5 | I160 Q163 V164 A171 I175 L178 Y500 L501 V503 | I160-L173 HydrophobicContact CG2-CD1 4.21Å; Q163-L173 HydrophobicContact CB-CD2 4.15Å; V164-L173 HydrophobicContact CG2-CD1 3.86Å; V164-L173 HydrophobicContact CG2-CG 4.45Å; A171-L173 HydrophobicContact CB-CD2 4.22Å; L173-I175 HydrophobicContact CB-CD1 4.06Å; L173-I175 PolarHBondContact O-N 3.1Å; L173-L178 HydrophobicContact CD1-CD2 4.03Å; L173-Y500 WeakPolarHBondContact O-CA 3.28Å; L173-L501 PolarHBondContact N-O 3Å; L173-L501 PolarHBondContact O-N 3.03Å; L173-V503 HydrophobicContact CB-CG2 4.27Å; L173-V503 HydrophobicContact CD1-CB 4.14Å; L173-V503 HydrophobicContact CD1-CG2 3.92Å; L173-V503 HydrophobicContact CG-CB 4.4Å; L173-V503 HydrophobicContact CG-CG2 4.1Å |
| 174 | E | 96.5 | Very high | 89 | Confident | 45 Ų | 45 | 38.6 Ų | 38.6 | 21% | 0.21 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 100.2 | 167.7 | -156 | -71.4 | 127.1 | 0 | 0 | 108.2 | K176 E177 L178 G498 I499 Y500 | E174-K176 WeakPolarHBondContact OE1-CB 3.27Å; E174-K176 PolarHBondContact OE1-N 3.05Å; E174-E177 VanDerWaalsContact OE2-CA 3.3Å; E174-E177 WeakPolarHBondContact OE2-CA 3.29Å; E174-E177 WeakPolarHBondContact OE2-CB 3.41Å; E174-E177 PolarHBondContact OE2-N 3.03Å; E174-L178 WeakPolarHBondContact O-CB 3.41Å; E174-L178 PolarHBondContact O-N 2.95Å; E174-G498 WeakPolarHBondContact OE1-CA 3.37Å; E174-I499 CarbonylContact C-O 3.57Å; E174-I499 PolarHBondContact OE1-N 3.03Å; E174-Y500 HydrophobicContact CB-CD1 3.87Å; E174-Y500 HydrophobicContact CB-CE1 3.57Å; E174-Y500 HydrophobicContact CG-CD1 3.9Å; E174-Y500 HydrophobicContact CG-CD2 4.42Å; E174-Y500 HydrophobicContact CG-CE1 3.42Å; E174-Y500 VanDerWaalsContact CG-CE1 3.42Å; E174-Y500 HydrophobicContact CG-CE2 3.98Å; E174-Y500 HydrophobicContact CG-CG 4.38Å; E174-Y500 VanDerWaalsContact CG-CZ 3.46Å |
| 175 | I | 96.7 | Very high | 89.2 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.5 | -34.2 | -168.4 | -60.9 | -62 | 0 | 0 | 0 | 111.4 | L173 L178 M179 L323 I499 L501 V503 | L173-I175 HydrophobicContact CB-CD1 4.06Å; L173-I175 PolarHBondContact O-N 3.1Å; I175-L178 HydrophobicContact CD1-CD2 4.44Å; I175-L178 PolarHBondContact O-N 3.44Å; I175-M179 HydrophobicContact CG2-CG 4Å; I175-M179 WeakPolarHBondContact O-CB 3.42Å; I175-M179 WeakPolarHBondContact O-CG 3.42Å; I175-M179 PolarHBondContact O-N 3.41Å; I175-L323 HydrophobicContact CG2-CB 4.22Å; I175-L323 HydrophobicContact CG2-CD1 3.52Å; I175-I499 HydrophobicContact CB-CG2 4.48Å; I175-I499 WeakPolarHBondContact CB-O 3.26Å; I175-I499 PolarHBondContact N-O 3.5Å; I175-L501 HydrophobicContact CD1-CB 4.33Å; I175-L501 HydrophobicContact CG1-CB 3.81Å; I175-L501 HydrophobicContact CG1-CD1 3.86Å; I175-L501 HydrophobicContact CG1-CG 3.88Å; I175-V503 HydrophobicContact CD1-CG2 3.96Å |
| 176 | K | 94.3 | Very high | 89.9 | Confident | 35 Ų | 35 | 35.7 Ų | 35.7 | 15% | 0.152 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.4 | -44.8 | -176.8 | -170.2 | -177.7 | 175.8 | -174.6 | 0 | 111.9 | E174 M179 A180 S320 T495 | E174-K176 WeakPolarHBondContact OE1-CB 3.27Å; E174-K176 PolarHBondContact OE1-N 3.05Å; K176-M179 PolarHBondContact O-N 3.24Å; K176-A180 VanDerWaalsContact O-CB 3.26Å; K176-A180 WeakPolarHBondContact O-CB 3.12Å; K176-A180 PolarHBondContact O-N 2.82Å; K176-S320 WeakPolarHBondContact CA-OG 3.36Å; K176-T495 PolarHBondContact NZ-OG1 2.6Å |
| 177 | E | 93.8 | Very high | 90.8 | Very high | 47 Ų | 47 | 31.9 Ų | 31.9 | 22% | 0.22 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.8 | -41.5 | 175.6 | -174.9 | 57.2 | -145.7 | 0 | 0 | 110.7 | E174 M179 A180 R181 R207 | E174-E177 VanDerWaalsContact OE2-CA 3.3Å; E174-E177 WeakPolarHBondContact OE2-CA 3.29Å; E174-E177 WeakPolarHBondContact OE2-CB 3.41Å; E174-E177 PolarHBondContact OE2-N 3.03Å; E177-M179 VanDerWaalsContact C-N 3.35Å; E177-M179 PolarHBondContact O-N 2.98Å; E177-A180 PolarHBondContact O-N 2.85Å; E177-R181 HydrophobicContact CG-CG 4.36Å; E177-R181 WeakPolarHBondContact O-CB 3.25Å; E177-R181 WeakPolarHBondContact O-CD 3.41Å; E177-R181 WeakPolarHBondContact O-CG 3.48Å; E177-R181 PolarHBondContact O-N 2.97Å; E177-R181 WeakPolarHBondContact OE1-CG 3.31Å; E177-R207 IonicContact OE1-CZ 2.7Å; E177-R207 IonicContact OE1-NE 3.49Å; E177-R207 PolarHBondContact OE1-NE 2.75Å; E177-R207 IonicContact OE1-NH2 3.93Å; E177-R207 IonicContact OE2-CZ 3.13Å; E177-R207 IonicContact OE2-NE 3.31Å; E177-R207 PolarHBondContact OE2-NE 3.13Å; E177-R207 IonicContact OE2-NH2 3.92Å; E177-R207 PolarHBondContact OE2-NH2 2.82Å |
| 178 | L | 95.3 | Very high | 91.9 | Very high | 7 Ų | 7 | 28.6 Ų | 28.6 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.7 | -46 | 176.4 | -177.4 | 63.2 | 0 | 0 | 0 | 111.7 | F156 I160 L173 E174 I175 R181 F182 | F156-L178 HydrophobicContact CD2-CD1 4.37Å; F156-L178 HydrophobicContact CE2-CD1 3.61Å; F156-L178 HydrophobicContact CE2-CD2 4.21Å; F156-L178 HydrophobicContact CE2-CG 3.62Å; F156-L178 HydrophobicContact CZ-CD2 4.37Å; F156-L178 HydrophobicContact CZ-CG 4.12Å; I160-L178 HydrophobicContact CD1-CD2 4Å; I160-L178 HydrophobicContact CG1-CD1 4.27Å; I160-L178 HydrophobicContact CG1-CD2 3.92Å; L173-L178 HydrophobicContact CD1-CD2 4.03Å; E174-L178 WeakPolarHBondContact O-CB 3.41Å; E174-L178 PolarHBondContact O-N 2.95Å; I175-L178 HydrophobicContact CD1-CD2 4.44Å; I175-L178 PolarHBondContact O-N 3.44Å; L178-R181 PolarHBondContact O-N 3.48Å; L178-F182 PolarHBondContact O-N 3.14Å; L178-F182 VanDerWaalsContact O-N 3.1Å |
| 179 | M | 96.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.4 | -38.2 | 174.1 | -68.4 | -61.8 | 95.1 | 0 | 0 | 112.5 | F156 I175 K176 E177 R181 F182 T183 M319 S320 L323 I468 | F156-M179 HydrophobicContact CE1-CE 3.85Å; F156-M179 HydrophobicContact CE2-CE 3.89Å; F156-M179 HydrophobicContact CZ-CE 3.13Å; I175-M179 HydrophobicContact CG2-CG 4Å; I175-M179 WeakPolarHBondContact O-CB 3.42Å; I175-M179 WeakPolarHBondContact O-CG 3.42Å; I175-M179 PolarHBondContact O-N 3.41Å; K176-M179 PolarHBondContact O-N 3.24Å; E177-M179 VanDerWaalsContact C-N 3.35Å; E177-M179 PolarHBondContact O-N 2.98Å; M179-R181 VanDerWaalsContact C-N 3.34Å; M179-F182 PolarHBondContact O-N 3.04Å; M179-T183 VanDerWaalsContact O-CG2 3.3Å; M179-T183 WeakPolarHBondContact O-CG2 3.44Å; M179-T183 PolarHBondContact O-N 3.15Å; M179-T183 PolarHBondContact O-OG1 2.75Å; M179-M319 HydrophobicContact CB-CE 4.4Å; M179-M319 HydrophobicContact CG-CB 3.97Å; M179-M319 HydrophobicContact SD-CB 3.39Å; M179-M319 WeakPolarHBondContact SD-CB 3.34Å; M179-M319 HydrophobicContact SD-CE 3.76Å; M179-M319 HydrophobicContact SD-CG 4.19Å; M179-M319 HydrophobicContact SD-SD 3.73Å; M179-S320 WeakPolarHBondContact CG-OG 3.48Å; M179-L323 HydrophobicContact CE-CD1 4.44Å; M179-L323 HydrophobicContact SD-CD1 4.16Å; M179-I468 HydrophobicContact CE-CD1 3.55Å; M179-I468 HydrophobicContact SD-CD1 4.31Å |
| 180 | A | 93.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.008 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.3 | -38.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K176 E177 T183 T184 R207 | K176-A180 VanDerWaalsContact O-CB 3.26Å; K176-A180 WeakPolarHBondContact O-CB 3.12Å; K176-A180 PolarHBondContact O-N 2.82Å; E177-A180 PolarHBondContact O-N 2.85Å; A180-T183 PolarHBondContact O-OG1 2.79Å; A180-T183 VanDerWaalsContact O-OG1 3.13Å; A180-T184 WeakPolarHBondContact O-CB 3.39Å; A180-T184 PolarHBondContact O-N 2.76Å; A180-T184 PolarHBondContact O-OG1 3.25Å; A180-R207 VanDerWaalsContact CB-CZ 3.48Å |
| 181 | R | 94.5 | Very high | 93.4 | Very high | 21 Ų | 21 | 14.4 Ų | 14.4 | 8% | 0.079 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -67.6 | -46.8 | 175.7 | -67.4 | 164.9 | 71.8 | -164.9 | 6.8 | 111.3 | E177 L178 M179 T183 T184 D185 T198 L199 | E177-R181 HydrophobicContact CG-CG 4.36Å; E177-R181 WeakPolarHBondContact O-CB 3.25Å; E177-R181 WeakPolarHBondContact O-CD 3.41Å; E177-R181 WeakPolarHBondContact O-CG 3.48Å; E177-R181 PolarHBondContact O-N 2.97Å; E177-R181 WeakPolarHBondContact OE1-CG 3.31Å; L178-R181 PolarHBondContact O-N 3.48Å; M179-R181 VanDerWaalsContact C-N 3.34Å; R181-T183 PolarHBondContact O-N 2.88Å; R181-T184 PolarHBondContact O-N 3.37Å; R181-D185 PolarHBondContact O-N 2.88Å; R181-T198 WeakPolarHBondContact CA-OG1 3.41Å; R181-T198 PolarHBondContact NE-O 2.88Å; R181-T198 PolarHBondContact NH2-O 3.19Å; R181-T198 PolarHBondContact O-OG1 3.06Å; R181-L199 HydrophobicContact CB-CD2 3.98Å; R181-L199 PolarHBondContact NH2-O 3.42Å |
| 182 | F | 96.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -55.6 | -51.9 | 175.2 | 170.6 | -116.3 | 0 | 0 | 0 | 112.1 | V152 F156 L178 M179 T184 D185 V186 L199 M319 | V152-F182 HydrophobicContact CG1-CD2 3.92Å; V152-F182 HydrophobicContact CG1-CE2 3.98Å; F156-F182 HydrophobicContact CB-CD2 3.77Å; F156-F182 HydrophobicContact CB-CE2 4.28Å; F156-F182 HydrophobicContact CD1-CD2 4.03Å; F156-F182 HydrophobicContact CD1-CE2 4.39Å; F156-F182 HydrophobicContact CD1-CG 4.23Å; F156-F182 HydrophobicContact CD2-CB 3.93Å; F156-F182 HydrophobicContact CD2-CD2 4.29Å; F156-F182 HydrophobicContact CD2-CG 4.31Å; F156-F182 HydrophobicContact CE2-CB 4.1Å; F156-F182 HydrophobicContact CG-CB 4.23Å; F156-F182 AromaticContact CG-CD2 3.76Å; F156-F182 HydrophobicContact CG-CD2 3.76Å; F156-F182 HydrophobicContact CG-CE2 4.43Å; F156-F182 HydrophobicContact CG-CG 4.1Å; L178-F182 PolarHBondContact O-N 3.14Å; L178-F182 VanDerWaalsContact O-N 3.1Å; M179-F182 PolarHBondContact O-N 3.04Å; F182-T184 VanDerWaalsContact C-N 3.34Å; F182-T184 PolarHBondContact O-N 3.3Å; F182-D185 PolarHBondContact O-N 3.43Å; F182-V186 HydrophobicContact CD2-CG2 4.1Å; F182-V186 HydrophobicContact CE1-CG2 4.31Å; F182-V186 HydrophobicContact CE2-CG2 3.64Å; F182-V186 HydrophobicContact CZ-CG2 3.76Å; F182-V186 WeakPolarHBondContact O-CG2 3.25Å; F182-V186 PolarHBondContact O-N 3.32Å; F182-L199 HydrophobicContact CB-CD2 4.19Å; F182-M319 HydrophobicContact CD1-CE 3.77Å; F182-M319 HydrophobicContact CD1-SD 4.28Å; F182-M319 HydrophobicContact CE1-CE 4.1Å; F182-M319 HydrophobicContact CE1-SD 4.21Å |
| 183 | T | 95.6 | Very high | 92 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -69.4 | -30.8 | -178.2 | 55.1 | 0 | 0 | 0 | 0 | 113.1 | M179 A180 R181 V186 I187 F312 M319 | M179-T183 VanDerWaalsContact O-CG2 3.3Å; M179-T183 WeakPolarHBondContact O-CG2 3.44Å; M179-T183 PolarHBondContact O-N 3.15Å; M179-T183 PolarHBondContact O-OG1 2.75Å; A180-T183 PolarHBondContact O-OG1 2.79Å; A180-T183 VanDerWaalsContact O-OG1 3.13Å; R181-T183 PolarHBondContact O-N 2.88Å; T183-V186 PolarHBondContact O-N 3.37Å; T183-I187 WeakPolarHBondContact O-CG2 3.23Å; T183-I187 PolarHBondContact O-N 3.5Å; T183-F312 PolarHBondContact OG1-O 3.14Å; T183-M319 HydrophobicContact CG2-CE 3.23Å |
| 184 | T | 94.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63 | -45.6 | 171.8 | -64.6 | 0 | 0 | 0 | 0 | 111.1 | A180 R181 F182 I187 G188 C196 T198 F206 Y308 | A180-T184 WeakPolarHBondContact O-CB 3.39Å; A180-T184 PolarHBondContact O-N 2.76Å; A180-T184 PolarHBondContact O-OG1 3.25Å; R181-T184 PolarHBondContact O-N 3.37Å; F182-T184 VanDerWaalsContact C-N 3.34Å; F182-T184 PolarHBondContact O-N 3.3Å; T184-I187 WeakPolarHBondContact O-CG2 3.49Å; T184-G188 PolarHBondContact O-N 2.94Å; T184-C196 HydrophobicContact CG2-CB 4.41Å; T184-T198 HydrophobicContact CG2-CG2 3.67Å; T184-F206 HydrophobicContact CG2-CB 4.49Å; T184-Y308 HydrophobicContact CG2-CE2 4.13Å |
| 185 | D | 94.3 | Very high | 90.7 | Very high | 9 Ų | 9 | 16 Ų | 16 | 5% | 0.048 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -68.5 | -36.6 | 178.2 | -74.3 | 1.3 | 0 | 0 | 0 | 111.7 | V152 R181 F182 T189 C196 N197 T198 L199 | V152-D185 HydrophobicContact CG1-CB 3.74Å; R181-D185 PolarHBondContact O-N 2.88Å; F182-D185 PolarHBondContact O-N 3.43Å; D185-T189 VanDerWaalsContact O-CB 3.3Å; D185-T189 WeakPolarHBondContact O-CB 3.46Å; D185-T189 PolarHBondContact O-N 3.44Å; D185-T189 PolarHBondContact O-OG1 2.85Å; D185-C196 WeakPolarHBondContact OD1-CB 3.27Å; D185-N197 PolarHBondContact OD1-N 2.84Å; D185-T198 VanDerWaalsContact CG-OG1 3.28Å; D185-T198 VanDerWaalsContact OD1-CB 3.31Å; D185-T198 WeakPolarHBondContact OD1-CB 3.28Å; D185-T198 WeakPolarHBondContact OD1-CG2 3.35Å; D185-T198 PolarHBondContact OD1-N 2.75Å; D185-T198 PolarHBondContact OD1-OG1 2.94Å; D185-T198 PolarHBondContact OD2-N 2.75Å; D185-T198 VanDerWaalsContact OD2-N 3.1Å; D185-L199 HydrophobicContact CB-CD1 4.5Å; D185-L199 WeakPolarHBondContact OD2-CB 3.31Å; D185-L199 VanDerWaalsContact OD2-CG 3.31Å; D185-L199 WeakPolarHBondContact OD2-CG 3.33Å; D185-L199 PolarHBondContact OD2-N 2.9Å |
| 186 | V | 94.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.5 | -54.2 | 174.1 | 167.6 | 0 | 0 | 0 | 0 | 111 | V149 V152 F182 T183 T189 C190 F456 Q460 | V149-V186 HydrophobicContact CG1-CG1 4.23Å; V149-V186 HydrophobicContact CG1-CG2 4.06Å; V149-V186 HydrophobicContact CG2-CG1 4.11Å; V152-V186 HydrophobicContact CB-CG2 4.05Å; V152-V186 HydrophobicContact CG1-CG2 3.74Å; F182-V186 HydrophobicContact CD2-CG2 4.1Å; F182-V186 HydrophobicContact CE1-CG2 4.31Å; F182-V186 HydrophobicContact CE2-CG2 3.64Å; F182-V186 HydrophobicContact CZ-CG2 3.76Å; F182-V186 WeakPolarHBondContact O-CG2 3.25Å; F182-V186 PolarHBondContact O-N 3.32Å; T183-V186 PolarHBondContact O-N 3.37Å; V186-T189 PolarHBondContact O-N 3.11Å; V186-C190 VanDerWaalsContact O-CB 3.24Å; V186-C190 WeakPolarHBondContact O-CB 3.48Å; V186-C190 PolarHBondContact O-N 2.78Å; V186-C190 PolarHBondContact O-SG 3.04Å; V186-F456 HydrophobicContact CG1-CE1 4.32Å; V186-F456 HydrophobicContact CG1-CZ 3.72Å; V186-Q460 HydrophobicContact CG1-CB 4.09Å |
| 187 | I | 91.4 | Very high | 89.7 | Confident | 8 Ų | 8 | 19 Ų | 19 | 4% | 0.041 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.2 | -38.5 | -179 | -165.5 | 66.4 | 0 | 0 | 0 | 111.5 | T183 T184 T189 A191 F192 Y308 F312 F456 | T183-I187 WeakPolarHBondContact O-CG2 3.23Å; T183-I187 PolarHBondContact O-N 3.5Å; T184-I187 WeakPolarHBondContact O-CG2 3.49Å; I187-T189 VanDerWaalsContact C-N 3.35Å; I187-T189 PolarHBondContact O-N 3.08Å; I187-A191 HydrophobicContact CD1-CB 3.69Å; I187-A191 HydrophobicContact CG1-CB 4.08Å; I187-A191 WeakPolarHBondContact O-CA 3.4Å; I187-A191 WeakPolarHBondContact O-CB 3.36Å; I187-A191 PolarHBondContact O-N 3.05Å; I187-F192 HydrophobicContact CG1-CE2 4.07Å; I187-Y308 HydrophobicContact CG2-CD2 3.8Å; I187-Y308 HydrophobicContact CG2-CE2 4.08Å; I187-F312 HydrophobicContact CG2-CB 4.35Å; I187-F456 HydrophobicContact CD1-CE1 3.75Å; I187-F456 HydrophobicContact CD1-CZ 4.06Å |
| 188 | G | 90.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | I | π-helix | trans | -52.7 | -52.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | T184 F192 G193 I194 | T184-G188 PolarHBondContact O-N 2.94Å; G188-F192 CarbonylContact O-C 3.58Å; G188-F192 WeakPolarHBondContact O-CA 3.32Å; G188-F192 WeakPolarHBondContact O-CB 3.4Å; G188-F192 PolarHBondContact O-N 3.42Å; G188-F192 VanDerWaalsContact O-N 3.15Å; G188-G193 PolarHBondContact O-N 2.69Å; G188-I194 CarbonylContact C-O 3.56Å; G188-I194 PolarHBondContact O-N 3.31Å |
| 189 | T | 89 | Confident | 89.3 | Confident | 18 Ų | 18 | 16.6 Ų | 16.6 | 11% | 0.11 | 9% | 0.09 | C | C | . | . | I | π-helix | trans | -76.9 | -44.1 | -174.8 | -49.3 | 0 | 0 | 0 | 0 | 112.3 | T148 D185 V186 I187 G193 I194 R268 | T148-T189 HydrophobicContact CG2-CG2 3.37Å; D185-T189 VanDerWaalsContact O-CB 3.3Å; D185-T189 WeakPolarHBondContact O-CB 3.46Å; D185-T189 PolarHBondContact O-N 3.44Å; D185-T189 PolarHBondContact O-OG1 2.85Å; V186-T189 PolarHBondContact O-N 3.11Å; I187-T189 VanDerWaalsContact C-N 3.35Å; I187-T189 PolarHBondContact O-N 3.08Å; T189-G193 WeakPolarHBondContact O-CA 3.25Å; T189-G193 PolarHBondContact O-N 3.04Å; T189-I194 PolarHBondContact N-O 3.46Å; T189-R268 PolarHBondContact O-NH2 3.15Å |
| 190 | C | 86.5 | Confident | 89 | Confident | 6 Ų | 6 | 22.5 Ų | 22.5 | 4% | 0.041 | 11% | 0.112 | C | C | . | . | I | π-helix | trans | -76.4 | -43.2 | -176.3 | -70.8 | 0 | 0 | 0 | 0 | 113 | M145 T148 V186 F456 | M145-C190 HydrophobicContact SD-CB 3.98Å; T148-C190 VanDerWaalsContact CG2-SG 3.56Å; V186-C190 VanDerWaalsContact O-CB 3.24Å; V186-C190 WeakPolarHBondContact O-CB 3.48Å; V186-C190 PolarHBondContact O-N 2.78Å; V186-C190 PolarHBondContact O-SG 3.04Å; C190-F456 HydrophobicContact CB-CE2 4.03Å; C190-F456 HydrophobicContact CB-CZ 4.13Å |
| 191 | A | 80.7 | Confident | 88.6 | Confident | 7 Ų | 7 | 26.3 Ų | 26.3 | 6% | 0.058 | 14% | 0.136 | C | C | . | . | I | π-helix | trans | -87.1 | -44.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I187 F271 M272 | I187-A191 HydrophobicContact CD1-CB 3.69Å; I187-A191 HydrophobicContact CG1-CB 4.08Å; I187-A191 WeakPolarHBondContact O-CA 3.4Å; I187-A191 WeakPolarHBondContact O-CB 3.36Å; I187-A191 PolarHBondContact O-N 3.05Å; A191-F271 HydrophobicContact CB-CB 4.01Å; A191-F271 HydrophobicContact CB-CD1 4.29Å; A191-F271 WeakPolarHBondContact O-CA 3.3Å; A191-F271 VanDerWaalsContact O-CB 3.26Å; A191-F271 WeakPolarHBondContact O-CB 3.44Å; A191-F271 PolarHBondContact O-N 3.41Å; A191-F271 VanDerWaalsContact O-N 3.09Å; A191-M272 PolarHBondContact O-N 2.89Å |
| 192 | F | 80.3 | Confident | 87.7 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -105.8 | -12.9 | -169.7 | -48.1 | -53.7 | 0 | 0 | 0 | 113.5 | I187 G188 I194 R261 F271 M272 V304 Y308 | I187-F192 HydrophobicContact CG1-CE2 4.07Å; G188-F192 CarbonylContact O-C 3.58Å; G188-F192 WeakPolarHBondContact O-CA 3.32Å; G188-F192 WeakPolarHBondContact O-CB 3.4Å; G188-F192 PolarHBondContact O-N 3.42Å; G188-F192 VanDerWaalsContact O-N 3.15Å; F192-I194 HydrophobicContact CB-CB 4.41Å; F192-I194 HydrophobicContact CB-CD1 3.86Å; F192-I194 HydrophobicContact CB-CG1 3.96Å; F192-R261 PolarHBondContact O-NH2 3.31Å; F192-F271 HydrophobicContact CE1-CD1 4.25Å; F192-M272 HydrophobicContact CD1-CE 4.29Å; F192-V304 HydrophobicContact CD1-CG1 3.94Å; F192-V304 HydrophobicContact CD1-CG2 4.35Å; F192-V304 HydrophobicContact CE1-CB 4.03Å; F192-V304 HydrophobicContact CE1-CG1 3.58Å; F192-V304 HydrophobicContact CE1-CG2 4.04Å; F192-V304 HydrophobicContact CZ-CG1 4.08Å; F192-V304 WeakPolarHBondContact CZ-O 3.34Å; F192-Y308 AromaticContact CE2-CD2 3.92Å; F192-Y308 HydrophobicContact CE2-CD2 3.92Å; F192-Y308 HydrophobicContact CE2-CG 4.3Å |
| 193 | G | 80.8 | Confident | 86.8 | Confident | 17 Ų | 17 | 34.1 Ų | 34.1 | 18% | 0.175 | 19% | 0.187 | C | C | . | . | trans | 67.8 | 28.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G188 T189 R268 D270 | G188-G193 PolarHBondContact O-N 2.69Å; T189-G193 WeakPolarHBondContact O-CA 3.25Å; T189-G193 PolarHBondContact O-N 3.04Å; G193-R268 VanDerWaalsContact C-NH1 3.31Å; G193-R268 PolarHBondContact O-NH1 3.46Å; G193-D270 WeakPolarHBondContact CA-OD2 3.44Å | ||
| 194 | I | 82.8 | Confident | 86.1 | Confident | 39 Ų | 39 | 35 Ų | 35 | 20% | 0.2 | 19% | 0.193 | C | C | . | . | trans | -113.9 | 126.7 | -176.4 | -60.8 | 175.7 | 0 | 0 | 0 | 108.6 | G188 T189 F192 C196 F206 L253 | G188-I194 CarbonylContact C-O 3.56Å; G188-I194 PolarHBondContact O-N 3.31Å; T189-I194 PolarHBondContact N-O 3.46Å; F192-I194 HydrophobicContact CB-CB 4.41Å; F192-I194 HydrophobicContact CB-CD1 3.86Å; F192-I194 HydrophobicContact CB-CG1 3.96Å; I194-C196 PolarHBondContact O-N 3.42Å; I194-F206 HydrophobicContact CD1-CZ 3.81Å; I194-F206 HydrophobicContact CG2-CE2 4Å; I194-F206 HydrophobicContact CG2-CZ 4.11Å; I194-L253 HydrophobicContact CD1-CD1 3.6Å; I194-L253 HydrophobicContact CD1-CG 4.49Å | ||
| 195 | E | 83.4 | Confident | 85.6 | Confident | 116 Ų | 116 | 40.4 Ų | 40.4 | 54% | 0.542 | 22% | 0.222 | S | C | . | . | trans | -81.7 | 93.6 | 171.8 | -64.1 | -173.1 | 172.3 | 0 | 0 | 108.7 | N197 | E195-N197 PolarHBondContact O-N 2.85Š| ||
| 196 | C | 83.2 | Confident | 85 | Confident | 16 Ų | 16 | 41.1 Ų | 41.1 | 11% | 0.108 | 23% | 0.225 | C | C | . | . | trans | -70.7 | -23.1 | 179.7 | -58.1 | 0 | 0 | 0 | 0 | 112.5 | T184 D185 I194 T198 | T184-C196 HydrophobicContact CG2-CB 4.41Å; D185-C196 WeakPolarHBondContact OD1-CB 3.27Å; I194-C196 PolarHBondContact O-N 3.42Å; C196-T198 HydrophobicContact CB-CG2 3.73Å; C196-T198 PolarHBondContact O-N 3.19Å | ||
| 197 | N | 86.7 | Confident | 84.7 | Confident | 87 Ų | 87 | 41.8 Ų | 41.8 | 47% | 0.465 | 23% | 0.227 | S | C | . | . | trans | 48.7 | 31.4 | 179.2 | -67.3 | -35.6 | 0 | 0 | 0 | 113.7 | D185 E195 L199 R200 T201 | D185-N197 PolarHBondContact OD1-N 2.84Å; E195-N197 PolarHBondContact O-N 2.85Å; N197-L199 PolarHBondContact O-N 2.74Å; N197-R200 PolarHBondContact O-N 3.02Å; N197-T201 PolarHBondContact O-N 3.04Å | ||
| 198 | T | 89.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -27.2 | -175.4 | 67.1 | 0 | 0 | 0 | 0 | 111.2 | R181 T184 D185 C196 R200 T201 S204 | R181-T198 WeakPolarHBondContact CA-OG1 3.41Å; R181-T198 PolarHBondContact NE-O 2.88Å; R181-T198 PolarHBondContact NH2-O 3.19Å; R181-T198 PolarHBondContact O-OG1 3.06Å; T184-T198 HydrophobicContact CG2-CG2 3.67Å; D185-T198 VanDerWaalsContact CG-OG1 3.28Å; D185-T198 VanDerWaalsContact OD1-CB 3.31Å; D185-T198 WeakPolarHBondContact OD1-CB 3.28Å; D185-T198 WeakPolarHBondContact OD1-CG2 3.35Å; D185-T198 PolarHBondContact OD1-N 2.75Å; D185-T198 PolarHBondContact OD1-OG1 2.94Å; D185-T198 PolarHBondContact OD2-N 2.75Å; D185-T198 VanDerWaalsContact OD2-N 3.1Å; C196-T198 HydrophobicContact CB-CG2 3.73Å; C196-T198 PolarHBondContact O-N 3.19Å; T198-R200 VanDerWaalsContact C-N 3.25Å; T198-R200 PolarHBondContact O-N 3.45Å; T198-T201 WeakPolarHBondContact CA-O 3.37Å; T198-T201 CarbonylContact O-C 3.49Å; T198-T201 VanDerWaalsContact O-C 3.32Å; T198-T201 PolarHBondContact O-N 3.29Å; T198-S204 WeakPolarHBondContact CG2-OG 3.41Å |
| 199 | L | 90.3 | Very high | 84.6 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -26.1 | 173.9 | -75.4 | 173.8 | 0 | 0 | 0 | 114.8 | V152 F156 V159 R181 F182 D185 N197 | V152-L199 HydrophobicContact CG1-CD1 4.09Å; F156-L199 HydrophobicContact CB-CD1 3.92Å; F156-L199 HydrophobicContact CD2-CD1 4.49Å; F156-L199 HydrophobicContact CD2-CD2 3.62Å; F156-L199 HydrophobicContact CE2-CD2 4.35Å; V159-L199 WeakPolarHBondContact CG1-O 3.25Å; V159-L199 HydrophobicContact CG2-CB 4.35Å; R181-L199 HydrophobicContact CB-CD2 3.98Å; R181-L199 PolarHBondContact NH2-O 3.42Å; F182-L199 HydrophobicContact CB-CD2 4.19Å; D185-L199 HydrophobicContact CB-CD1 4.5Å; D185-L199 WeakPolarHBondContact OD2-CB 3.31Å; D185-L199 VanDerWaalsContact OD2-CG 3.31Å; D185-L199 WeakPolarHBondContact OD2-CG 3.33Å; D185-L199 PolarHBondContact OD2-N 2.9Å; N197-L199 PolarHBondContact O-N 2.74Å |
| 200 | R | 89.9 | Confident | 84.4 | Confident | 123 Ų | 123 | 44 Ų | 44 | 46% | 0.464 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -30.1 | 173.1 | -70.1 | -162.8 | 174.8 | -83.7 | -6.1 | 113.2 | E155 V159 E162 N197 T198 P202 | E155-R200 IonicContact OE1-CZ 3.07Å; E155-R200 IonicContact OE1-NE 2.67Å; E155-R200 PolarHBondContact OE1-NE 2.92Å; E155-R200 IonicContact OE1-NH2 2.95Å; E155-R200 PolarHBondContact OE1-NH2 2.91Å; V159-R200 HydrophobicContact CG2-CG 4.16Å; E162-R200 IonicContact OE1-CZ 3.64Å; E162-R200 IonicContact OE1-NH1 3.36Å; E162-R200 PolarHBondContact OE1-NH1 3.32Å; E162-R200 IonicContact OE1-NH2 3.79Å; E162-R200 PolarHBondContact OE1-NH2 3.14Å; E162-R200 IonicContact OE2-CZ 3.78Å; E162-R200 IonicContact OE2-NH1 2.89Å; E162-R200 PolarHBondContact OE2-NH1 3.44Å; E162-R200 IonicContact OE2-NH2 3.44Å; N197-R200 PolarHBondContact O-N 3.02Å; T198-R200 VanDerWaalsContact C-N 3.25Å; T198-R200 PolarHBondContact O-N 3.45Å; R200-P202 WeakPolarHBondContact O-CD 3.42Å |
| 201 | T | 86.4 | Confident | 84.4 | Confident | 81 Ų | 81 | 47.1 Ų | 47.1 | 50% | 0.497 | 25% | 0.253 | S | S | . | . | trans | -117 | 88.6 | 180 | -50.3 | 0 | 0 | 0 | 0 | 109.4 | N197 T198 V203 | N197-T201 PolarHBondContact O-N 3.04Å; T198-T201 WeakPolarHBondContact CA-O 3.37Å; T198-T201 CarbonylContact O-C 3.49Å; T198-T201 VanDerWaalsContact O-C 3.32Å; T198-T201 PolarHBondContact O-N 3.29Å; T201-V203 PolarHBondContact O-N 3.33Å | ||
| 202 | P | 75.1 | Confident | 84.8 | Confident | 64 Ų | 64 | 49.3 Ų | 49.3 | 42% | 0.416 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -59.1 | -32.6 | -173 | -13 | 18.4 | 0 | 0 | 0 | 113.5 | R200 S204 | R200-P202 WeakPolarHBondContact O-CD 3.42Å; P202-S204 PolarHBondContact O-N 2.72Å |
| 203 | V | 78.1 | Confident | 85.1 | Confident | 122 Ų | 122 | 50.7 Ų | 50.7 | 74% | 0.739 | 27% | 0.27 | S | S | * | . | trans | -92.3 | 99.2 | 177.8 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | T201 | T201-V203 PolarHBondContact O-N 3.33Š| ||
| 204 | S | 81.8 | Confident | 85.1 | Confident | 19 Ų | 19 | 52.2 Ų | 52.2 | 13% | 0.133 | 27% | 0.272 | C | S | . | . | trans | -127.1 | 153.4 | 171.8 | 75.3 | 0 | 0 | 0 | 0 | 110.9 | T198 P202 F206 R207 T208 | T198-S204 WeakPolarHBondContact CG2-OG 3.41Å; P202-S204 PolarHBondContact O-N 2.72Å; S204-F206 PolarHBondContact O-N 3Å; S204-R207 PolarHBondContact O-N 2.76Å; S204-R207 WeakPolarHBondContact OG-CB 3.5Å; S204-R207 PolarHBondContact OG-N 3.48Å; S204-R207 VanDerWaalsContact OG-N 3.09Å; S204-T208 WeakPolarHBondContact O-CB 3.37Å; S204-T208 PolarHBondContact O-N 3.46Å; S204-T208 PolarHBondContact O-OG1 2.87Å | ||
| 205 | D | 83.4 | Confident | 85.1 | Confident | 113 Ų | 113 | 55 Ų | 55 | 60% | 0.604 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -59.1 | -39.9 | 175.3 | -71.9 | -15.1 | 0 | 0 | 0 | 110.9 | T208 M209 F249 | D205-T208 PolarHBondContact O-N 3.03Å; D205-M209 VanDerWaalsContact O-CB 3.3Å; D205-M209 WeakPolarHBondContact O-CB 3.21Å; D205-M209 WeakPolarHBondContact O-CG 3.23Å; D205-M209 PolarHBondContact O-N 3.49Å; D205-F249 HydrophobicContact CB-CD2 4.4Å; D205-F249 HydrophobicContact CB-CE2 3.73Å; D205-F249 HydrophobicContact CB-CZ 4.39Å |
| 206 | F | 82.1 | Confident | 85.2 | Confident | 23 Ų | 23 | 52.9 Ų | 52.9 | 10% | 0.101 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56 | -55.9 | 175.1 | -86.9 | -87.4 | 0 | 0 | 0 | 111.5 | T184 I194 S204 T208 M209 G210 F249 L253 Y308 | T184-F206 HydrophobicContact CG2-CB 4.49Å; I194-F206 HydrophobicContact CD1-CZ 3.81Å; I194-F206 HydrophobicContact CG2-CE2 4Å; I194-F206 HydrophobicContact CG2-CZ 4.11Å; S204-F206 PolarHBondContact O-N 3Å; F206-T208 VanDerWaalsContact C-N 3.34Å; F206-T208 PolarHBondContact O-N 3.43Å; F206-M209 PolarHBondContact O-N 2.89Å; F206-G210 PolarHBondContact O-N 3.14Å; F206-F249 HydrophobicContact CD1-CE1 4.2Å; F206-F249 HydrophobicContact CD1-CZ 4.04Å; F206-F249 AromaticContact CD2-CZ 3.93Å; F206-F249 HydrophobicContact CD2-CZ 3.93Å; F206-F249 HydrophobicContact CE1-CE1 4.3Å; F206-F249 HydrophobicContact CE1-CZ 4.14Å; F206-F249 HydrophobicContact CE2-CZ 4.02Å; F206-F249 HydrophobicContact CG-CE1 4.49Å; F206-F249 AromaticContact CG-CZ 3.94Å; F206-F249 HydrophobicContact CG-CZ 3.94Å; F206-F249 HydrophobicContact CZ-CZ 4.13Å; F206-L253 HydrophobicContact CE1-CD1 4.49Å; F206-L253 HydrophobicContact CE1-CD2 3.57Å; F206-L253 HydrophobicContact CE2-CD1 4.3Å; F206-L253 HydrophobicContact CZ-CD1 3.62Å; F206-L253 HydrophobicContact CZ-CD2 3.55Å; F206-L253 HydrophobicContact CZ-CG 4.24Å; F206-Y308 HydrophobicContact CD1-CD2 4.32Å; F206-Y308 AromaticContact CD1-CE2 3.82Å; F206-Y308 HydrophobicContact CD1-CE2 3.82Å; F206-Y308 PolarHBondContact O-OH 2.77Å |
| 207 | R | 86.8 | Confident | 85.3 | Confident | 14 Ų | 14 | 56 Ų | 56 | 5% | 0.053 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.2 | -45.7 | -177.8 | -179.4 | 65.8 | -175.9 | 121.1 | -0.1 | 111.3 | E177 A180 S204 G210 Q211 | E177-R207 IonicContact OE1-CZ 2.7Å; E177-R207 IonicContact OE1-NE 3.49Å; E177-R207 PolarHBondContact OE1-NE 2.75Å; E177-R207 IonicContact OE1-NH2 3.93Å; E177-R207 IonicContact OE2-CZ 3.13Å; E177-R207 IonicContact OE2-NE 3.31Å; E177-R207 PolarHBondContact OE2-NE 3.13Å; E177-R207 IonicContact OE2-NH2 3.92Å; E177-R207 PolarHBondContact OE2-NH2 2.82Å; A180-R207 VanDerWaalsContact CB-CZ 3.48Å; S204-R207 PolarHBondContact O-N 2.76Å; S204-R207 WeakPolarHBondContact OG-CB 3.5Å; S204-R207 PolarHBondContact OG-N 3.48Å; S204-R207 VanDerWaalsContact OG-N 3.09Å; R207-G210 PolarHBondContact O-N 3.45Å; R207-Q211 WeakPolarHBondContact O-CG 3.39Å; R207-Q211 PolarHBondContact O-N 3.05Å |
| 208 | T | 89.1 | Confident | 85.3 | Confident | 46 Ų | 46 | 55.7 Ų | 55.7 | 28% | 0.282 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.9 | -48.8 | -179 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | S204 D205 F206 G210 Q211 K212 | S204-T208 WeakPolarHBondContact O-CB 3.37Å; S204-T208 PolarHBondContact O-N 3.46Å; S204-T208 PolarHBondContact O-OG1 2.87Å; D205-T208 PolarHBondContact O-N 3.03Å; F206-T208 VanDerWaalsContact C-N 3.34Å; F206-T208 PolarHBondContact O-N 3.43Å; T208-G210 VanDerWaalsContact C-N 3.33Å; T208-G210 PolarHBondContact O-N 3.18Å; T208-Q211 PolarHBondContact O-N 3.09Å; T208-K212 WeakPolarHBondContact O-CG 3.42Å; T208-K212 PolarHBondContact O-N 3.03Å; T208-K212 VanDerWaalsContact O-N 3.16Å |
| 209 | M | 90.2 | Very high | 85.2 | Confident | 26 Ų | 26 | 58.8 Ų | 58.8 | 13% | 0.128 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.3 | -35 | 179.4 | -64.3 | -58.7 | 132.6 | 0 | 0 | 111.8 | D205 F206 K212 D245 V246 F249 F250 | D205-M209 VanDerWaalsContact O-CB 3.3Å; D205-M209 WeakPolarHBondContact O-CB 3.21Å; D205-M209 WeakPolarHBondContact O-CG 3.23Å; D205-M209 PolarHBondContact O-N 3.49Å; F206-M209 PolarHBondContact O-N 2.89Å; M209-K212 PolarHBondContact O-N 2.74Å; M209-K212 HydrophobicContact SD-CD 4.48Å; M209-D245 HydrophobicContact SD-CB 4.42Å; M209-V246 HydrophobicContact SD-CG2 4.3Å; M209-F249 HydrophobicContact CB-CD1 3.84Å; M209-F249 HydrophobicContact CB-CE1 4.19Å; M209-F249 HydrophobicContact CB-CG 4.17Å; M209-F249 HydrophobicContact CG-CB 3.93Å; M209-F249 HydrophobicContact CG-CD1 3.85Å; M209-F249 HydrophobicContact CG-CD2 3.98Å; M209-F249 HydrophobicContact CG-CE1 4.36Å; M209-F249 HydrophobicContact CG-CE2 4.48Å; M209-F249 HydrophobicContact CG-CG 3.64Å; M209-F249 HydrophobicContact SD-CB 4.32Å; M209-F250 HydrophobicContact CB-CE2 4.49Å |
| 210 | G | 85.9 | Confident | 85 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F206 R207 T208 V213 F312 | F206-G210 PolarHBondContact O-N 3.14Å; R207-G210 PolarHBondContact O-N 3.45Å; T208-G210 VanDerWaalsContact C-N 3.33Å; T208-G210 PolarHBondContact O-N 3.18Å; G210-V213 WeakPolarHBondContact O-CB 3.45Å; G210-V213 PolarHBondContact O-N 2.91Å; G210-F312 WeakPolarHBondContact O-CZ 3.5Å |
| 211 | Q | 86.1 | Confident | 84.5 | Confident | 72 Ų | 72 | 59.9 Ų | 59.9 | 34% | 0.336 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 177.5 | -73.5 | 175.2 | -18.2 | 0 | 0 | 112 | R207 T208 V213 F214 T215 | R207-Q211 WeakPolarHBondContact O-CG 3.39Å; R207-Q211 PolarHBondContact O-N 3.05Å; T208-Q211 PolarHBondContact O-N 3.09Å; Q211-V213 PolarHBondContact O-N 3.28Å; Q211-V213 VanDerWaalsContact O-N 3.11Å; Q211-F214 PolarHBondContact O-N 2.88Å; Q211-T215 PolarHBondContact O-N 3.42Å; Q211-T215 PolarHBondContact O-OG1 3.43Å |
| 212 | K | 89 | Confident | 84.4 | Confident | 54 Ų | 54 | 62.8 Ų | 62.8 | 24% | 0.235 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58 | -27.8 | -178 | -74.4 | -171.3 | 179.5 | -161.2 | 0 | 114 | T208 M209 F214 T215 D216 D245 V246 | T208-K212 WeakPolarHBondContact O-CG 3.42Å; T208-K212 PolarHBondContact O-N 3.03Å; T208-K212 VanDerWaalsContact O-N 3.16Å; M209-K212 PolarHBondContact O-N 2.74Å; M209-K212 HydrophobicContact SD-CD 4.48Å; K212-F214 PolarHBondContact O-N 3.05Å; K212-T215 WeakPolarHBondContact CA-OG1 3.43Å; K212-T215 PolarHBondContact O-N 3.25Å; K212-D216 HydrophobicContact CB-CB 4.46Å; K212-D216 WeakPolarHBondContact O-CB 3.3Å; K212-D216 PolarHBondContact O-N 3.07Å; K212-D245 WeakPolarHBondContact CD-OD2 3.22Å; K212-D245 IonicContact NZ-OD2 3.78Å; K212-D245 PolarHBondContact NZ-OD2 3.13Å; K212-V246 HydrophobicContact CB-CG2 3.82Å |
| 213 | V | 86.1 | Confident | 84.9 | Confident | 30 Ų | 30 | 63.7 Ų | 63.7 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.9 | -31.5 | 175.8 | 178.8 | 0 | 0 | 0 | 0 | 112.2 | G210 Q211 V246 F305 V309 | G210-V213 WeakPolarHBondContact O-CB 3.45Å; G210-V213 PolarHBondContact O-N 2.91Å; Q211-V213 PolarHBondContact O-N 3.28Å; Q211-V213 VanDerWaalsContact O-N 3.11Å; V213-V246 HydrophobicContact CG2-CG1 3.88Å; V213-F305 HydrophobicContact CG1-CE2 4.34Å; V213-F305 HydrophobicContact CG1-CZ 3.86Å; V213-F305 HydrophobicContact CG2-CE2 3.56Å; V213-F305 HydrophobicContact CG2-CZ 3.92Å; V213-V309 HydrophobicContact CB-CG2 4.38Å; V213-V309 HydrophobicContact CG1-CG1 4Å; V213-V309 HydrophobicContact CG1-CG2 4.15Å; V213-V309 HydrophobicContact CG2-CG2 3.98Å |
| 214 | F | 82.3 | Confident | 85.2 | Confident | 48 Ų | 48 | 59.1 Ų | 59.1 | 21% | 0.211 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -99.8 | -22.5 | -176.5 | -62.7 | -78.6 | 0 | 0 | 0 | 113.5 | Q211 K212 V309 F312 E313 V492 | Q211-F214 PolarHBondContact O-N 2.88Å; K212-F214 PolarHBondContact O-N 3.05Å; F214-V309 HydrophobicContact CE1-CG1 4.2Å; F214-V309 HydrophobicContact CE2-CG1 3.59Å; F214-V309 HydrophobicContact CZ-CG1 3.28Å; F214-F312 HydrophobicContact CD2-CZ 4.33Å; F214-F312 HydrophobicContact CE2-CE1 4.39Å; F214-F312 HydrophobicContact CE2-CE2 4.47Å; F214-F312 AromaticContact CE2-CZ 3.78Å; F214-F312 HydrophobicContact CE2-CZ 3.78Å; F214-E313 HydrophobicContact CD2-CB 4.45Å; F214-E313 HydrophobicContact CD2-CG 4.15Å; F214-E313 HydrophobicContact CE1-CG 4.21Å; F214-E313 HydrophobicContact CE2-CB 3.56Å; F214-E313 HydrophobicContact CE2-CG 3.66Å; F214-E313 HydrophobicContact CZ-CB 3.6Å; F214-E313 HydrophobicContact CZ-CG 3.68Å; F214-V492 HydrophobicContact CD1-CG2 4.33Å; F214-V492 HydrophobicContact CE1-CG1 4.47Å; F214-V492 HydrophobicContact CE1-CG2 4.26Å |
| 215 | T | 81.6 | Confident | 85.2 | Confident | 99 Ų | 99 | 61 Ų | 61 | 61% | 0.607 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -100.4 | -33.9 | -176.2 | 59.3 | 0 | 0 | 0 | 0 | 113.4 | Q211 K212 | Q211-T215 PolarHBondContact O-N 3.42Å; Q211-T215 PolarHBondContact O-OG1 3.43Å; K212-T215 WeakPolarHBondContact CA-OG1 3.43Å; K212-T215 PolarHBondContact O-N 3.25Å |
| 216 | D | 85.4 | Confident | 85.4 | Confident | 70 Ų | 70 | 58.3 Ų | 58.3 | 37% | 0.374 | 30% | 0.298 | S | S | . | . | trans | -102.9 | 132.8 | -166.5 | -65.3 | 13.1 | 0 | 0 | 0 | 110.9 | K212 P243 | K212-D216 HydrophobicContact CB-CB 4.46Å; K212-D216 WeakPolarHBondContact O-CB 3.3Å; K212-D216 PolarHBondContact O-N 3.07Å; D216-P243 HydrophobicContact CB-CG 4.17Å | ||
| 217 | M | 85.2 | Confident | 85.6 | Confident | 83 Ų | 83 | 57.4 Ų | 57.4 | 41% | 0.409 | 29% | 0.294 | S | S | . | . | trans | -110.1 | 113.4 | 174.2 | -65 | -176 | -176.3 | 0 | 0 | 109.5 | H219 G220 K221 T224 | M217-H219 PolarHBondContact O-N 2.74Å; M217-G220 PolarHBondContact O-N 3.35Å; M217-K221 HydrophobicContact SD-CG 3.94Å; M217-T224 HydrophobicContact SD-CG2 4.32Å | ||
| 218 | R | 87.8 | Confident | 85.4 | Confident | 79 Ų | 79 | 59.8 Ų | 59.8 | 30% | 0.298 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.7 | -42.6 | -176.5 | -170.9 | -164.9 | 179.5 | 84.9 | 4.5 | 113.6 | R240 M241 M242 E244 | R218-R240 VanDerWaalsContact CD-O 3.25Å; R218-R240 WeakPolarHBondContact CD-O 3.44Å; R218-M241 WeakPolarHBondContact CB-O 3.28Å; R218-M242 VanDerWaalsContact CD-O 3.25Å; R218-M242 WeakPolarHBondContact CD-O 3.32Å; R218-M242 PolarHBondContact NH1-O 3.46Å; R218-E244 IonicContact CZ-OE2 3.06Å; R218-E244 VanDerWaalsContact CZ-OE2 3.24Å; R218-E244 IonicContact NH1-OE2 3.45Å; R218-E244 PolarHBondContact NH1-OE2 3.29Å; R218-E244 IonicContact NH2-OE2 2.78Å; R218-E244 PolarHBondContact NH2-OE2 3.05Å |
| 219 | H | 86.4 | Confident | 85.1 | Confident | 66 Ų | 66 | 57.9 Ų | 57.9 | 31% | 0.306 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | 9.7 | -174.1 | -60.7 | -52.5 | 0 | 0 | 0 | 113.6 | M217 L223 R240 | M217-H219 PolarHBondContact O-N 2.74Å; H219-L223 HydrophobicContact CB-CB 3.42Å; H219-L223 VanDerWaalsContact CB-CB 3.42Å; H219-L223 HydrophobicContact CB-CD1 3.81Å; H219-L223 HydrophobicContact CB-CG 4.26Å; H219-R240 PolarHBondContact CD2-O 3.49Å; H219-R240 PolarHBondContact NE2-O 2.95Å |
| 220 | G | 85.7 | Confident | 84.9 | Confident | 33 Ų | 33 | 60.8 Ų | 60.8 | 34% | 0.34 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | 67.1 | 175.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | M217 L222 T224 | M217-G220 PolarHBondContact O-N 3.35Å; G220-L222 PolarHBondContact O-N 3.29Å; G220-T224 WeakPolarHBondContact O-CB 3.37Å; G220-T224 PolarHBondContact O-N 2.99Å; G220-T224 VanDerWaalsContact O-N 3.1Å; G220-T224 PolarHBondContact O-OG1 2.89Å |
| 221 | K | 81.2 | Confident | 85 | Confident | 116 Ų | 116 | 62.1 Ų | 62.1 | 50% | 0.504 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58 | -46.1 | -168 | -64.6 | -177.6 | 179.7 | -177.4 | 0 | 114.2 | M217 T224 I225 M489 | M217-K221 HydrophobicContact SD-CG 3.94Å; K221-T224 PolarHBondContact O-N 3.32Å; K221-I225 WeakPolarHBondContact O-CB 3.43Å; K221-I225 VanDerWaalsContact O-CG1 3.26Å; K221-I225 WeakPolarHBondContact O-CG1 3.18Å; K221-I225 PolarHBondContact O-N 2.97Å; K221-M489 WeakPolarHBondContact CE-SD 3.33Å; K221-M489 PolarHBondContact NZ-SD 3.36Å |
| 222 | L | 82.3 | Confident | 85 | Confident | 141 Ų | 141 | 66.1 Ų | 66.1 | 74% | 0.738 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.8 | -45.9 | -172.9 | -67.8 | 177 | 0 | 0 | 0 | 112.6 | G220 I225 F226 | G220-L222 PolarHBondContact O-N 3.29Å; L222-I225 WeakPolarHBondContact O-CB 3.43Å; L222-I225 PolarHBondContact O-N 2.95Å; L222-F226 PolarHBondContact O-N 2.9Å |
| 223 | L | 86.1 | Confident | 85 | Confident | 83 Ų | 83 | 67.2 Ų | 67.2 | 44% | 0.435 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -74.2 | -31.5 | 179.2 | -72.3 | 175 | 0 | 0 | 0 | 111.6 | H219 F226 V227 M239 | H219-L223 HydrophobicContact CB-CB 3.42Å; H219-L223 VanDerWaalsContact CB-CB 3.42Å; H219-L223 HydrophobicContact CB-CD1 3.81Å; H219-L223 HydrophobicContact CB-CG 4.26Å; L223-F226 WeakPolarHBondContact O-CB 3.48Å; L223-F226 PolarHBondContact O-N 3.26Å; L223-V227 WeakPolarHBondContact O-CG2 3.42Å; L223-V227 PolarHBondContact O-N 3.03Å; L223-M239 HydrophobicContact CB-CE 4.3Å; L223-M239 HydrophobicContact CD2-CE 4.31Å |
| 224 | T | 84.7 | Confident | 85.3 | Confident | 27 Ų | 27 | 65.8 Ų | 65.8 | 17% | 0.166 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 169.6 | -63.7 | 0 | 0 | 0 | 0 | 111.4 | M217 G220 K221 F226 V227 F228 | M217-T224 HydrophobicContact SD-CG2 4.32Å; G220-T224 WeakPolarHBondContact O-CB 3.37Å; G220-T224 PolarHBondContact O-N 2.99Å; G220-T224 VanDerWaalsContact O-N 3.1Å; G220-T224 PolarHBondContact O-OG1 2.89Å; K221-T224 PolarHBondContact O-N 3.32Å; T224-F226 VanDerWaalsContact C-N 3.25Å; T224-F226 PolarHBondContact O-N 3.32Å; T224-V227 PolarHBondContact O-N 2.68Å; T224-V227 VanDerWaalsContact O-N 3.13Å; T224-F228 HydrophobicContact CG2-CD2 3.77Å; T224-F228 HydrophobicContact CG2-CE2 3.49Å; T224-F228 VanDerWaalsContact CG2-CE2 3.49Å; T224-F228 VanDerWaalsContact O-CD2 3.22Å; T224-F228 WeakPolarHBondContact O-CD2 3.18Å; T224-F228 PolarHBondContact O-N 3.45Å; T224-F228 VanDerWaalsContact O-N 3.1Å |
| 225 | I | 82.8 | Confident | 85.6 | Confident | 59 Ų | 59 | 65.4 Ų | 65.4 | 30% | 0.303 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56.9 | -41 | 173.3 | -73.6 | 169.2 | 0 | 0 | 0 | 110.8 | L76 K221 L222 S229 | L76-I225 HydrophobicContact CD1-CG2 3.73Å; L76-I225 HydrophobicContact CD2-CG2 4.17Å; K221-I225 WeakPolarHBondContact O-CB 3.43Å; K221-I225 VanDerWaalsContact O-CG1 3.26Å; K221-I225 WeakPolarHBondContact O-CG1 3.18Å; K221-I225 PolarHBondContact O-N 2.97Å; L222-I225 WeakPolarHBondContact O-CB 3.43Å; L222-I225 PolarHBondContact O-N 2.95Å; I225-S229 WeakPolarHBondContact O-CB 3.11Å; I225-S229 PolarHBondContact O-N 2.98Å; I225-S229 PolarHBondContact O-OG 3.45Å |
| 226 | F | 86.3 | Confident | 86 | Confident | 56 Ų | 56 | 70.2 Ų | 70.2 | 25% | 0.246 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 175.6 | 174.9 | -95.4 | 0 | 0 | 0 | 112.6 | L222 L223 T224 S229 F230 L233 A234 L237 M239 | L222-F226 PolarHBondContact O-N 2.9Å; L223-F226 WeakPolarHBondContact O-CB 3.48Å; L223-F226 PolarHBondContact O-N 3.26Å; T224-F226 VanDerWaalsContact C-N 3.25Å; T224-F226 PolarHBondContact O-N 3.32Å; F226-S229 PolarHBondContact O-N 3.07Å; F226-F230 AromaticContact CD2-CD2 3.7Å; F226-F230 HydrophobicContact CD2-CD2 3.7Å; F226-F230 HydrophobicContact CD2-CE2 4.32Å; F226-F230 HydrophobicContact CE2-CB 4.39Å; F226-F230 AromaticContact CE2-CD2 3.78Å; F226-F230 HydrophobicContact CE2-CD2 3.78Å; F226-F230 HydrophobicContact CE2-CG 4.38Å; F226-F230 PolarHBondContact O-N 3.25Å; F226-L233 HydrophobicContact CE2-CD2 4.23Å; F226-L233 HydrophobicContact CZ-CD2 3.82Å; F226-L233 HydrophobicContact CZ-CG 4.12Å; F226-A234 HydrophobicContact CE1-CB 4.26Å; F226-L237 HydrophobicContact CE1-CD1 3.99Å; F226-L237 HydrophobicContact CZ-CD1 3.96Å; F226-M239 HydrophobicContact CD1-CE 4.3Å; F226-M239 HydrophobicContact CD1-SD 3.68Å; F226-M239 HydrophobicContact CE1-SD 3.63Å |
| 227 | V | 87.8 | Confident | 86.4 | Confident | 3 Ų | 3 | 71.9 Ų | 71.9 | 2% | 0.018 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 178 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | F106 L223 T224 S229 F230 P231 A234 M239 | F106-V227 HydrophobicContact CB-CG1 4.12Å; F106-V227 HydrophobicContact CD1-CG1 3.72Å; F106-V227 HydrophobicContact CD2-CG1 3.67Å; F106-V227 HydrophobicContact CE1-CG1 4Å; F106-V227 HydrophobicContact CE2-CG1 3.94Å; F106-V227 HydrophobicContact CG-CG1 3.54Å; F106-V227 HydrophobicContact CZ-CG1 4.09Å; L223-V227 WeakPolarHBondContact O-CG2 3.42Å; L223-V227 PolarHBondContact O-N 3.03Å; T224-V227 PolarHBondContact O-N 2.68Å; T224-V227 VanDerWaalsContact O-N 3.13Å; V227-S229 VanDerWaalsContact C-N 3.34Å; V227-S229 PolarHBondContact O-N 2.84Å; V227-F230 CarbonylContact O-C 3.5Å; V227-F230 PolarHBondContact O-N 2.9Å; V227-P231 VanDerWaalsContact O-CA 3.26Å; V227-P231 WeakPolarHBondContact O-CA 3.4Å; V227-A234 HydrophobicContact CB-CB 4.32Å; V227-A234 HydrophobicContact CG1-CB 4.3Å; V227-A234 HydrophobicContact CG2-CB 4.07Å; V227-M239 HydrophobicContact CG2-CB 4.38Å; V227-M239 HydrophobicContact CG2-CE 3.73Å; V227-M239 HydrophobicContact CG2-SD 4Å |
| 228 | F | 82 | Confident | 86.7 | Confident | 64 Ų | 64 | 74.7 Ų | 74.7 | 28% | 0.281 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.3 | -35.6 | 176.5 | -73.4 | -65.4 | 0 | 0 | 0 | 112.8 | K78 T224 M241 | K78-F228 PolarHBondContact NZ-O 3.19Å; T224-F228 HydrophobicContact CG2-CD2 3.77Å; T224-F228 HydrophobicContact CG2-CE2 3.49Å; T224-F228 VanDerWaalsContact CG2-CE2 3.49Å; T224-F228 VanDerWaalsContact O-CD2 3.22Å; T224-F228 WeakPolarHBondContact O-CD2 3.18Å; T224-F228 PolarHBondContact O-N 3.45Å; T224-F228 VanDerWaalsContact O-N 3.1Å; F228-M241 HydrophobicContact CE1-SD 4.39Å; F228-M241 HydrophobicContact CZ-SD 4.03Å |
| 229 | S | 82.8 | Confident | 87 | Confident | 7 Ų | 7 | 72.1 Ų | 72.1 | 5% | 0.049 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.5 | -40 | 177.3 | -75.8 | 0 | 0 | 0 | 0 | 112.3 | L76 H77 K78 I225 F226 V227 | L76-S229 WeakPolarHBondContact CD1-OG 3.47Å; H77-S229 WeakPolarHBondContact CE1-CB 3.12Å; H77-S229 PolarHBondContact CE1-O 2.76Å; H77-S229 VanDerWaalsContact CE1-O 3.32Å; K78-S229 WeakPolarHBondContact CE-O 3.39Å; K78-S229 PolarHBondContact NZ-O 3.32Å; I225-S229 WeakPolarHBondContact O-CB 3.11Å; I225-S229 PolarHBondContact O-N 2.98Å; I225-S229 PolarHBondContact O-OG 3.45Å; F226-S229 PolarHBondContact O-N 3.07Å; V227-S229 VanDerWaalsContact C-N 3.34Å; V227-S229 PolarHBondContact O-N 2.84Å |
| 230 | F | 85.7 | Confident | 87.2 | Confident | 87 Ų | 87 | 70.8 Ų | 70.8 | 38% | 0.382 | 34% | 0.338 | S | S | . | . | trans | -134.6 | 61.7 | -173.1 | -56.5 | -78.9 | 0 | 0 | 0 | 111.3 | H77 F226 V227 K232 L233 A234 | H77-F230 AromaticContact CD2-CZ 3.99Å; H77-F230 AromaticContact CE1-CE1 3.67Å; H77-F230 AromaticContact CE1-CE2 3.81Å; H77-F230 AromaticContact CE1-CZ 3.42Å; H77-F230 VanDerWaalsContact CE1-CZ 3.42Å; H77-F230 WeakPolarHBondContact CE1-CZ 3.48Å; H77-F230 AromaticContact ND1-CZ 3.97Å; H77-F230 AromaticContact NE2-CE1 3.31Å; H77-F230 VanDerWaalsContact NE2-CE1 3.31Å; H77-F230 WeakPolarHBondContact NE2-CE1 3.39Å; H77-F230 AromaticContact NE2-CZ 3.42Å; H77-F230 WeakPolarHBondContact NE2-CZ 3.42Å; F226-F230 AromaticContact CD2-CD2 3.7Å; F226-F230 HydrophobicContact CD2-CD2 3.7Å; F226-F230 HydrophobicContact CD2-CE2 4.32Å; F226-F230 HydrophobicContact CE2-CB 4.39Å; F226-F230 AromaticContact CE2-CD2 3.78Å; F226-F230 HydrophobicContact CE2-CD2 3.78Å; F226-F230 HydrophobicContact CE2-CG 4.38Å; F226-F230 PolarHBondContact O-N 3.25Å; V227-F230 CarbonylContact O-C 3.5Å; V227-F230 PolarHBondContact O-N 2.9Å; F230-K232 VanDerWaalsContact C-N 3.3Å; F230-K232 PolarHBondContact O-N 3.3Å; F230-L233 HydrophobicContact CB-CB 3.92Å; F230-L233 HydrophobicContact CB-CD2 4.45Å; F230-L233 PolarHBondContact O-N 2.79Å; F230-A234 WeakPolarHBondContact O-CB 3.07Å; F230-A234 PolarHBondContact O-N 3.37Å | ||
| 231 | P | 87.5 | Confident | 87.4 | Confident | 27 Ų | 27 | 71.3 Ų | 71.3 | 18% | 0.175 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.4 | -38.8 | -168.9 | 22.4 | -33.8 | 0 | 0 | 0 | 112.8 | K78 F106 V227 L233 S235 | K78-P231 VanDerWaalsContact NZ-CD 3.34Å; F106-P231 HydrophobicContact CB-CB 4.02Å; F106-P231 HydrophobicContact CD2-CB 3.86Å; F106-P231 HydrophobicContact CG-CB 4.44Å; V227-P231 VanDerWaalsContact O-CA 3.26Å; V227-P231 WeakPolarHBondContact O-CA 3.4Å; P231-L233 PolarHBondContact O-N 3.46Å; P231-S235 WeakPolarHBondContact O-CB 3.14Å; P231-S235 PolarHBondContact O-N 3.37Å |
| 232 | K | 87.3 | Confident | 87.9 | Confident | 156 Ų | 156 | 66.6 Ų | 66.6 | 68% | 0.678 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.8 | -38.8 | 175.5 | -66.5 | -173.9 | 178.3 | -176.3 | 0 | 112.6 | F230 R236 | F230-K232 VanDerWaalsContact C-N 3.3Å; F230-K232 PolarHBondContact O-N 3.3Å; K232-R236 VanDerWaalsContact O-CG 3.32Å; K232-R236 WeakPolarHBondContact O-CG 3.28Å; K232-R236 PolarHBondContact O-N 2.66Å |
| 233 | L | 89.1 | Confident | 88.4 | Confident | 77 Ų | 77 | 60.4 Ų | 60.4 | 40% | 0.403 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -73.9 | -44.6 | 178.5 | -178.6 | 59 | 0 | 0 | 0 | 110.5 | F226 F230 P231 S235 R236 L237 | F226-L233 HydrophobicContact CE2-CD2 4.23Å; F226-L233 HydrophobicContact CZ-CD2 3.82Å; F226-L233 HydrophobicContact CZ-CG 4.12Å; F230-L233 HydrophobicContact CB-CB 3.92Å; F230-L233 HydrophobicContact CB-CD2 4.45Å; F230-L233 PolarHBondContact O-N 2.79Å; P231-L233 PolarHBondContact O-N 3.46Å; L233-S235 VanDerWaalsContact C-N 3.3Å; L233-S235 PolarHBondContact O-N 2.93Å; L233-R236 WeakPolarHBondContact O-CB 3.39Å; L233-R236 PolarHBondContact O-N 3.39Å; L233-R236 VanDerWaalsContact O-N 3.08Å; L233-L237 HydrophobicContact CD1-CD1 4.4Å; L233-L237 HydrophobicContact CD1-CG 4.36Å; L233-L237 HydrophobicContact CG-CD1 4.1Å; L233-L237 HydrophobicContact CG-CG 4.47Å; L233-L237 WeakPolarHBondContact O-CG 3.35Å; L233-L237 PolarHBondContact O-N 2.89Å |
| 234 | A | 91.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.9 | -42.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | F106 F226 V227 F230 L237 R238 M239 | F106-A234 HydrophobicContact CD2-CB 4.43Å; F106-A234 HydrophobicContact CE2-CB 3.92Å; F226-A234 HydrophobicContact CE1-CB 4.26Å; V227-A234 HydrophobicContact CB-CB 4.32Å; V227-A234 HydrophobicContact CG1-CB 4.3Å; V227-A234 HydrophobicContact CG2-CB 4.07Å; F230-A234 WeakPolarHBondContact O-CB 3.07Å; F230-A234 PolarHBondContact O-N 3.37Å; A234-L237 CarbonylContact O-C 3.51Å; A234-L237 PolarHBondContact O-N 3.24Å; A234-R238 PolarHBondContact O-N 3.26Å; A234-M239 HydrophobicContact CB-CB 4.32Å; A234-M239 HydrophobicContact CB-CG 4.49Å; A234-M239 HydrophobicContact CB-SD 4.01Å; A234-M239 WeakPolarHBondContact O-CB 3.38Å; A234-M239 PolarHBondContact O-N 2.68Å |
| 235 | S | 88.6 | Confident | 89.2 | Confident | 40 Ų | 40 | 61.1 Ų | 61.1 | 28% | 0.28 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 174.4 | 172.6 | 0 | 0 | 0 | 0 | 112 | P231 L233 L237 R238 | P231-S235 WeakPolarHBondContact O-CB 3.14Å; P231-S235 PolarHBondContact O-N 3.37Å; L233-S235 VanDerWaalsContact C-N 3.3Å; L233-S235 PolarHBondContact O-N 2.93Å; S235-L237 VanDerWaalsContact C-N 3.28Å; S235-L237 PolarHBondContact O-N 3.06Å; S235-R238 PolarHBondContact O-N 3.21Å |
| 236 | R | 90.6 | Very high | 89.7 | Confident | 201 Ų | 201 | 58.3 Ų | 58.3 | 76% | 0.758 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -63.6 | -33.4 | 173.7 | -73.1 | 174.9 | -173.5 | 171 | -0.2 | 112.9 | K232 L233 R238 | K232-R236 VanDerWaalsContact O-CG 3.32Å; K232-R236 WeakPolarHBondContact O-CG 3.28Å; K232-R236 PolarHBondContact O-N 2.66Å; L233-R236 WeakPolarHBondContact O-CB 3.39Å; L233-R236 PolarHBondContact O-N 3.39Å; L233-R236 VanDerWaalsContact O-N 3.08Å; R236-R238 PolarHBondContact O-N 3.31Å |
| 237 | L | 92.7 | Very high | 90 | Very high | 104 Ų | 104 | 56.4 Ų | 56.4 | 55% | 0.545 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 5.8 | 174.3 | -66.2 | 175 | 0 | 0 | 0 | 113.2 | F226 L233 A234 S235 M239 | F226-L237 HydrophobicContact CE1-CD1 3.99Å; F226-L237 HydrophobicContact CZ-CD1 3.96Å; L233-L237 HydrophobicContact CD1-CD1 4.4Å; L233-L237 HydrophobicContact CD1-CG 4.36Å; L233-L237 HydrophobicContact CG-CD1 4.1Å; L233-L237 HydrophobicContact CG-CG 4.47Å; L233-L237 WeakPolarHBondContact O-CG 3.35Å; L233-L237 PolarHBondContact O-N 2.89Å; A234-L237 CarbonylContact O-C 3.51Å; A234-L237 PolarHBondContact O-N 3.24Å; S235-L237 VanDerWaalsContact C-N 3.28Å; S235-L237 PolarHBondContact O-N 3.06Å; L237-M239 HydrophobicContact CB-CG 4.11Å; L237-M239 PolarHBondContact O-N 3.24Å |
| 238 | R | 92.7 | Very high | 90.3 | Very high | 143 Ų | 143 | 60 Ų | 60 | 54% | 0.54 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 29.9 | -179.9 | -53.7 | -171.8 | -177 | 176.5 | 2.5 | 113.7 | D111 A234 S235 R236 | D111-R238 HydrophobicContact CB-CB 4.44Å; D111-R238 WeakPolarHBondContact OD2-CA 3.14Å; D111-R238 WeakPolarHBondContact OD2-CB 3.37Å; D111-R238 WeakPolarHBondContact OD2-CG 3.49Å; A234-R238 PolarHBondContact O-N 3.26Å; S235-R238 PolarHBondContact O-N 3.21Å; R236-R238 PolarHBondContact O-N 3.31Å |
| 239 | M | 92.8 | Very high | 90.9 | Very high | 24 Ų | 24 | 58 Ų | 58 | 12% | 0.118 | 27% | 0.267 | C | S | . | . | trans | -69 | 150.6 | 176.6 | -64.1 | -173.2 | 75.4 | 0 | 0 | 110.6 | N108 L223 F226 V227 A234 L237 | N108-M239 PolarHBondContact ND2-O 2.88Å; N108-M239 VanDerWaalsContact ND2-O 3.12Å; L223-M239 HydrophobicContact CB-CE 4.3Å; L223-M239 HydrophobicContact CD2-CE 4.31Å; F226-M239 HydrophobicContact CD1-CE 4.3Å; F226-M239 HydrophobicContact CD1-SD 3.68Å; F226-M239 HydrophobicContact CE1-SD 3.63Å; V227-M239 HydrophobicContact CG2-CB 4.38Å; V227-M239 HydrophobicContact CG2-CE 3.73Å; V227-M239 HydrophobicContact CG2-SD 4Å; A234-M239 HydrophobicContact CB-CB 4.32Å; A234-M239 HydrophobicContact CB-CG 4.49Å; A234-M239 HydrophobicContact CB-SD 4.01Å; A234-M239 WeakPolarHBondContact O-CB 3.38Å; A234-M239 PolarHBondContact O-N 2.68Å; L237-M239 HydrophobicContact CB-CG 4.11Å; L237-M239 PolarHBondContact O-N 3.24Å | ||
| 240 | R | 91.9 | Very high | 91.4 | Very high | 39 Ų | 39 | 57.7 Ų | 57.7 | 15% | 0.147 | 27% | 0.265 | C | S | . | . | trans | -118.2 | 139.1 | 177.8 | -55.9 | -178.9 | 67 | 179.2 | 7.3 | 108.5 | D111 D112 R218 H219 E244 H247 | D111-R240 HydrophobicContact CB-CG 4.39Å; D111-R240 VanDerWaalsContact O-CD 3.22Å; D111-R240 WeakPolarHBondContact O-CD 3.28Å; D111-R240 WeakPolarHBondContact O-CG 3.45Å; D111-R240 PolarHBondContact O-NE 3.46Å; D112-R240 HydrophobicContact CB-CB 4.07Å; D112-R240 HydrophobicContact CB-CG 4.09Å; R218-R240 VanDerWaalsContact CD-O 3.25Å; R218-R240 WeakPolarHBondContact CD-O 3.44Å; H219-R240 PolarHBondContact CD2-O 3.49Å; H219-R240 PolarHBondContact NE2-O 2.95Å; R240-E244 IonicContact CZ-OE2 3.58Å; R240-E244 VanDerWaalsContact NH1-CD 3.34Å; R240-E244 IonicContact NH1-OE1 3.84Å; R240-E244 PolarHBondContact NH1-OE1 3Å; R240-E244 VanDerWaalsContact NH1-OE1 3.13Å; R240-E244 IonicContact NH1-OE2 3.4Å; R240-E244 PolarHBondContact NH1-OE2 3.18Å; R240-H247 PolarHBondContact NH2-CD2 2.87Å; R240-H247 PolarHBondContact NH2-CE1 3.1Å; R240-H247 PolarHBondContact NH2-ND1 2.8Å; R240-H247 PolarHBondContact NH2-NE2 3.13Å | ||
| 241 | M | 90.1 | Very high | 91.8 | Very high | 43 Ų | 43 | 54.8 Ų | 54.8 | 21% | 0.212 | 25% | 0.252 | C | S | . | . | trans | -92.4 | -37.3 | 176.9 | -171 | 165.8 | 67.4 | 0 | 0 | 111 | F106 D112 T115 R218 F228 | F106-M241 HydrophobicContact CD1-CB 4.11Å; F106-M241 HydrophobicContact CD1-CE 4.31Å; F106-M241 HydrophobicContact CD1-SD 4.08Å; F106-M241 HydrophobicContact CE1-CB 3.94Å; D112-M241 PolarHBondContact OD2-N 3.47Å; T115-M241 HydrophobicContact CG2-CB 4.26Å; T115-M241 HydrophobicContact CG2-CE 4.04Å; R218-M241 WeakPolarHBondContact CB-O 3.28Å; F228-M241 HydrophobicContact CE1-SD 4.39Å; F228-M241 HydrophobicContact CZ-SD 4.03Å | ||
| 242 | M | 91.7 | Very high | 92 | Very high | 18 Ų | 18 | 60.3 Ų | 60.3 | 9% | 0.089 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -73.8 | 135.5 | -174.8 | -65 | -64 | 97.3 | 0 | 0 | 112.8 | D112 L114 T115 R218 H247 F305 | D112-M242 PolarHBondContact OD2-N 3.05Å; L114-M242 HydrophobicContact CB-CG 4.07Å; T115-M242 HydrophobicContact CG2-CG 4.25Å; R218-M242 VanDerWaalsContact CD-O 3.25Å; R218-M242 WeakPolarHBondContact CD-O 3.32Å; R218-M242 PolarHBondContact NH1-O 3.46Å; M242-H247 HydrophobicContact CB-CB 4.49Å; M242-F305 HydrophobicContact SD-CE1 3.81Å; M242-F305 HydrophobicContact SD-CE2 4.23Å; M242-F305 HydrophobicContact SD-CZ 3.43Å; M242-F305 WeakPolarHBondContact SD-CZ 3.42Å |
| 243 | P | 92.6 | Very high | 92.2 | Very high | 10 Ų | 10 | 53.9 Ų | 53.9 | 7% | 0.065 | 24% | 0.243 | C | C | . | . | trans | -51.8 | 143.4 | 166.7 | -25.1 | 34.8 | 0 | 0 | 0 | 111.4 | D216 D245 V246 H247 | D216-P243 HydrophobicContact CB-CG 4.17Å; P243-D245 WeakPolarHBondContact CB-OD1 3.03Å; P243-V246 HydrophobicContact CB-CB 4.17Å; P243-V246 HydrophobicContact CB-CG2 3.94Å; P243-V246 HydrophobicContact CG-CG2 4.21Å; P243-V246 PolarHBondContact O-N 3.24Å; P243-H247 WeakPolarHBondContact O-CB 3.33Å; P243-H247 PolarHBondContact O-N 2.97Å | ||
| 244 | E | 92.6 | Very high | 92.2 | Very high | 67 Ų | 67 | 50.2 Ų | 50.2 | 31% | 0.313 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.5 | -43.4 | -171.6 | -170.8 | 60.9 | -143.2 | 0 | 0 | 112.3 | R218 R240 H247 Q248 | R218-E244 IonicContact CZ-OE2 3.06Å; R218-E244 VanDerWaalsContact CZ-OE2 3.24Å; R218-E244 IonicContact NH1-OE2 3.45Å; R218-E244 PolarHBondContact NH1-OE2 3.29Å; R218-E244 IonicContact NH2-OE2 2.78Å; R218-E244 PolarHBondContact NH2-OE2 3.05Å; R240-E244 IonicContact CZ-OE2 3.58Å; R240-E244 VanDerWaalsContact NH1-CD 3.34Å; R240-E244 IonicContact NH1-OE1 3.84Å; R240-E244 PolarHBondContact NH1-OE1 3Å; R240-E244 VanDerWaalsContact NH1-OE1 3.13Å; R240-E244 IonicContact NH1-OE2 3.4Å; R240-E244 PolarHBondContact NH1-OE2 3.18Å; E244-H247 WeakPolarHBondContact O-CB 3.22Å; E244-H247 PolarHBondContact O-N 3.33Å; E244-H247 IonicContact OE1-CD2 3.82Å; E244-Q248 HydrophobicContact CG-CG 4.34Å; E244-Q248 VanDerWaalsContact O-CG 3.27Å; E244-Q248 WeakPolarHBondContact O-CG 3.47Å; E244-Q248 PolarHBondContact O-N 2.93Å; E244-Q248 PolarHBondContact OE1-NE2 3.05Å |
| 245 | D | 93.9 | Very high | 92.2 | Very high | 58 Ų | 58 | 53.7 Ų | 53.7 | 31% | 0.31 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 177.9 | 56.3 | -16.8 | 0 | 0 | 0 | 112.1 | M209 K212 P243 H247 Q248 F249 | M209-D245 HydrophobicContact SD-CB 4.42Å; K212-D245 WeakPolarHBondContact CD-OD2 3.22Å; K212-D245 IonicContact NZ-OD2 3.78Å; K212-D245 PolarHBondContact NZ-OD2 3.13Å; P243-D245 WeakPolarHBondContact CB-OD1 3.03Å; D245-H247 VanDerWaalsContact C-N 3.34Å; D245-H247 PolarHBondContact O-N 3.39Å; D245-Q248 PolarHBondContact O-N 3.41Å; D245-F249 VanDerWaalsContact O-CB 3.31Å; D245-F249 WeakPolarHBondContact O-CB 3.36Å; D245-F249 PolarHBondContact O-N 3Å |
| 246 | V | 93.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.5 | -47.7 | 172.8 | 175.1 | 0 | 0 | 0 | 0 | 110.2 | M209 K212 V213 P243 Q248 F249 F250 F305 | M209-V246 HydrophobicContact SD-CG2 4.3Å; K212-V246 HydrophobicContact CB-CG2 3.82Å; V213-V246 HydrophobicContact CG2-CG1 3.88Å; P243-V246 HydrophobicContact CB-CB 4.17Å; P243-V246 HydrophobicContact CB-CG2 3.94Å; P243-V246 HydrophobicContact CG-CG2 4.21Å; P243-V246 PolarHBondContact O-N 3.24Å; V246-Q248 PolarHBondContact O-N 2.89Å; V246-F249 PolarHBondContact O-N 3.12Å; V246-F250 HydrophobicContact CG1-CD2 3.92Å; V246-F250 HydrophobicContact CG1-CE2 3.96Å; V246-F250 WeakPolarHBondContact O-CD2 3.38Å; V246-F250 PolarHBondContact O-N 3.34Å; V246-F250 VanDerWaalsContact O-N 3.14Å; V246-F305 HydrophobicContact CG1-CE2 3.91Å |
| 247 | H | 93.8 | Very high | 92.1 | Very high | 17 Ų | 17 | 48 Ų | 48 | 8% | 0.079 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.1 | -51.9 | 177.8 | 172.1 | 84.1 | 0 | 0 | 0 | 112.3 | L114 R240 M242 P243 E244 D245 F249 F250 M251 | L114-H247 HydrophobicContact CD1-CB 4.33Å; R240-H247 PolarHBondContact NH2-CD2 2.87Å; R240-H247 PolarHBondContact NH2-CE1 3.1Å; R240-H247 PolarHBondContact NH2-ND1 2.8Å; R240-H247 PolarHBondContact NH2-NE2 3.13Å; M242-H247 HydrophobicContact CB-CB 4.49Å; P243-H247 WeakPolarHBondContact O-CB 3.33Å; P243-H247 PolarHBondContact O-N 2.97Å; E244-H247 WeakPolarHBondContact O-CB 3.22Å; E244-H247 PolarHBondContact O-N 3.33Å; E244-H247 IonicContact OE1-CD2 3.82Å; D245-H247 VanDerWaalsContact C-N 3.34Å; D245-H247 PolarHBondContact O-N 3.39Å; H247-F249 VanDerWaalsContact C-N 3.27Å; H247-F249 PolarHBondContact O-N 3.22Å; H247-F250 PolarHBondContact O-N 3.02Å; H247-M251 VanDerWaalsContact CE1-CG 3.45Å; H247-M251 WeakPolarHBondContact CE1-CG 3.15Å; H247-M251 WeakPolarHBondContact O-CB 3.4Å; H247-M251 VanDerWaalsContact O-CG 3.27Å; H247-M251 WeakPolarHBondContact O-CG 3.43Å; H247-M251 PolarHBondContact O-N 2.9Å |
| 248 | Q | 94.6 | Very high | 91.8 | Very high | 77 Ų | 77 | 43.6 Ų | 43.6 | 36% | 0.36 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.5 | -34.6 | -179.2 | -66.6 | -58.8 | -29.1 | 0 | 0 | 112 | E244 D245 V246 R252 | E244-Q248 HydrophobicContact CG-CG 4.34Å; E244-Q248 VanDerWaalsContact O-CG 3.27Å; E244-Q248 WeakPolarHBondContact O-CG 3.47Å; E244-Q248 PolarHBondContact O-N 2.93Å; E244-Q248 PolarHBondContact OE1-NE2 3.05Å; D245-Q248 PolarHBondContact O-N 3.41Å; V246-Q248 PolarHBondContact O-N 2.89Å; Q248-R252 VanDerWaalsContact O-CB 3.29Å; Q248-R252 WeakPolarHBondContact O-CB 3.46Å; Q248-R252 VanDerWaalsContact O-CG 3.24Å; Q248-R252 WeakPolarHBondContact O-CG 3.34Å; Q248-R252 PolarHBondContact O-N 3.49Å; Q248-R252 PolarHBondContact O-NE 3.43Å; Q248-R252 VanDerWaalsContact O-NE 3.11Å |
| 249 | F | 93.3 | Very high | 91.6 | Very high | 24 Ų | 24 | 39.3 Ų | 39.3 | 11% | 0.105 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.8 | -56.8 | 176 | 175.5 | -99.7 | 0 | 0 | 0 | 111.7 | D205 F206 M209 D245 V246 H247 M251 R252 L253 | D205-F249 HydrophobicContact CB-CD2 4.4Å; D205-F249 HydrophobicContact CB-CE2 3.73Å; D205-F249 HydrophobicContact CB-CZ 4.39Å; F206-F249 HydrophobicContact CD1-CE1 4.2Å; F206-F249 HydrophobicContact CD1-CZ 4.04Å; F206-F249 AromaticContact CD2-CZ 3.93Å; F206-F249 HydrophobicContact CD2-CZ 3.93Å; F206-F249 HydrophobicContact CE1-CE1 4.3Å; F206-F249 HydrophobicContact CE1-CZ 4.14Å; F206-F249 HydrophobicContact CE2-CZ 4.02Å; F206-F249 HydrophobicContact CG-CE1 4.49Å; F206-F249 AromaticContact CG-CZ 3.94Å; F206-F249 HydrophobicContact CG-CZ 3.94Å; F206-F249 HydrophobicContact CZ-CZ 4.13Å; M209-F249 HydrophobicContact CB-CD1 3.84Å; M209-F249 HydrophobicContact CB-CE1 4.19Å; M209-F249 HydrophobicContact CB-CG 4.17Å; M209-F249 HydrophobicContact CG-CB 3.93Å; M209-F249 HydrophobicContact CG-CD1 3.85Å; M209-F249 HydrophobicContact CG-CD2 3.98Å; M209-F249 HydrophobicContact CG-CE1 4.36Å; M209-F249 HydrophobicContact CG-CE2 4.48Å; M209-F249 HydrophobicContact CG-CG 3.64Å; M209-F249 HydrophobicContact SD-CB 4.32Å; D245-F249 VanDerWaalsContact O-CB 3.31Å; D245-F249 WeakPolarHBondContact O-CB 3.36Å; D245-F249 PolarHBondContact O-N 3Å; V246-F249 PolarHBondContact O-N 3.12Å; H247-F249 VanDerWaalsContact C-N 3.27Å; H247-F249 PolarHBondContact O-N 3.22Å; F249-M251 PolarHBondContact O-N 3.06Å; F249-R252 PolarHBondContact O-N 2.94Å; F249-L253 HydrophobicContact CE1-CD2 4.3Å; F249-L253 VanDerWaalsContact O-CB 3.29Å; F249-L253 WeakPolarHBondContact O-CB 3.39Å; F249-L253 PolarHBondContact O-N 3.04Å |
| 250 | F | 92.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.5 | -34.6 | -176.6 | -76.6 | -78.2 | 0 | 0 | 0 | 112.9 | L114 M209 V246 H247 L253 V254 V304 F305 Y308 | L114-F250 HydrophobicContact CD1-CB 3.99Å; L114-F250 HydrophobicContact CD1-CD2 4.46Å; L114-F250 HydrophobicContact CD2-CB 4.18Å; M209-F250 HydrophobicContact CB-CE2 4.49Å; V246-F250 HydrophobicContact CG1-CD2 3.92Å; V246-F250 HydrophobicContact CG1-CE2 3.96Å; V246-F250 WeakPolarHBondContact O-CD2 3.38Å; V246-F250 PolarHBondContact O-N 3.34Å; V246-F250 VanDerWaalsContact O-N 3.14Å; H247-F250 PolarHBondContact O-N 3.02Å; F250-L253 HydrophobicContact CD1-CD2 4.25Å; F250-V254 WeakPolarHBondContact O-CB 3.21Å; F250-V254 WeakPolarHBondContact O-CG2 3.49Å; F250-V254 PolarHBondContact O-N 3.41Å; F250-V304 HydrophobicContact CD1-CG1 4.39Å; F250-F305 HydrophobicContact CD1-CB 4.25Å; F250-F305 HydrophobicContact CD1-CD2 4.36Å; F250-F305 AromaticContact CD2-CD2 3.53Å; F250-F305 HydrophobicContact CD2-CD2 3.53Å; F250-F305 HydrophobicContact CD2-CE2 4.18Å; F250-F305 HydrophobicContact CE1-CD2 4.4Å; F250-F305 AromaticContact CE2-CD2 3.6Å; F250-F305 HydrophobicContact CE2-CD2 3.6Å; F250-F305 HydrophobicContact CE2-CE2 4.03Å; F250-F305 HydrophobicContact CG-CB 4.22Å; F250-F305 AromaticContact CG-CD2 3.96Å; F250-F305 HydrophobicContact CG-CD2 3.96Å; F250-F305 HydrophobicContact CZ-CD2 4.06Å; F250-Y308 AromaticContact CE1-CD1 3.8Å; F250-Y308 HydrophobicContact CE1-CD1 3.8Å; F250-Y308 HydrophobicContact CE1-CG 4.05Å; F250-Y308 AromaticContact CZ-CD1 3.41Å; F250-Y308 HydrophobicContact CZ-CD1 3.41Å; F250-Y308 VanDerWaalsContact CZ-CD1 3.41Å; F250-Y308 AromaticContact CZ-CE1 3.88Å; F250-Y308 HydrophobicContact CZ-CE1 3.88Å; F250-Y308 HydrophobicContact CZ-CG 4.14Å |
| 251 | M | 94.2 | Very high | 91 | Very high | 25 Ų | 25 | 40.6 Ų | 40.6 | 12% | 0.123 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64 | -45.4 | 173.9 | -70.3 | -57.9 | -60.1 | 0 | 0 | 111.6 | L114 H247 F249 N255 A301 | L114-M251 HydrophobicContact CD2-SD 4.18Å; H247-M251 VanDerWaalsContact CE1-CG 3.45Å; H247-M251 WeakPolarHBondContact CE1-CG 3.15Å; H247-M251 WeakPolarHBondContact O-CB 3.4Å; H247-M251 VanDerWaalsContact O-CG 3.27Å; H247-M251 WeakPolarHBondContact O-CG 3.43Å; H247-M251 PolarHBondContact O-N 2.9Å; F249-M251 PolarHBondContact O-N 3.06Å; M251-N255 PolarHBondContact O-N 3.47Å; M251-N255 VanDerWaalsContact O-N 3.15Å; M251-N255 PolarHBondContact O-ND2 2.96Å; M251-A301 HydrophobicContact CE-CB 4.46Å; M251-A301 HydrophobicContact SD-CB 3.52Å; M251-A301 VanDerWaalsContact SD-CB 3.52Å |
| 252 | R | 93.5 | Very high | 90.7 | Very high | 143 Ų | 143 | 43.8 Ų | 43.8 | 54% | 0.54 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.9 | -49 | 177.1 | -75.9 | -177.7 | -65 | -175.8 | 4.5 | 111.6 | Q248 F249 V254 N255 D256 | Q248-R252 VanDerWaalsContact O-CB 3.29Å; Q248-R252 WeakPolarHBondContact O-CB 3.46Å; Q248-R252 VanDerWaalsContact O-CG 3.24Å; Q248-R252 WeakPolarHBondContact O-CG 3.34Å; Q248-R252 PolarHBondContact O-N 3.49Å; Q248-R252 PolarHBondContact O-NE 3.43Å; Q248-R252 VanDerWaalsContact O-NE 3.11Å; F249-R252 PolarHBondContact O-N 2.94Å; R252-V254 PolarHBondContact O-N 3.44Å; R252-V254 VanDerWaalsContact O-N 3.15Å; R252-N255 PolarHBondContact O-N 3.25Å; R252-D256 WeakPolarHBondContact O-CB 3.29Å; R252-D256 PolarHBondContact O-N 2.89Å |
| 253 | L | 89.8 | Confident | 90.5 | Very high | 22 Ų | 22 | 51.7 Ų | 51.7 | 12% | 0.115 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -48.4 | -47.9 | 178.8 | 174.7 | 63.6 | 0 | 0 | 0 | 112.1 | I194 F206 F249 F250 T257 | I194-L253 HydrophobicContact CD1-CD1 3.6Å; I194-L253 HydrophobicContact CD1-CG 4.49Å; F206-L253 HydrophobicContact CE1-CD1 4.49Å; F206-L253 HydrophobicContact CE1-CD2 3.57Å; F206-L253 HydrophobicContact CE2-CD1 4.3Å; F206-L253 HydrophobicContact CZ-CD1 3.62Å; F206-L253 HydrophobicContact CZ-CD2 3.55Å; F206-L253 HydrophobicContact CZ-CG 4.24Å; F249-L253 HydrophobicContact CE1-CD2 4.3Å; F249-L253 VanDerWaalsContact O-CB 3.29Å; F249-L253 WeakPolarHBondContact O-CB 3.39Å; F249-L253 PolarHBondContact O-N 3.04Å; F250-L253 HydrophobicContact CD1-CD2 4.25Å; L253-T257 VanDerWaalsContact O-CB 3.28Å; L253-T257 WeakPolarHBondContact O-CB 3.2Å; L253-T257 PolarHBondContact O-N 3.01Å; L253-T257 PolarHBondContact O-OG1 3.32Å |
| 254 | V | 90.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.1 | -46.1 | -178.3 | 169.4 | 0 | 0 | 0 | 0 | 111.4 | F250 R252 T257 I258 M272 I297 L300 A301 V304 | F250-V254 WeakPolarHBondContact O-CB 3.21Å; F250-V254 WeakPolarHBondContact O-CG2 3.49Å; F250-V254 PolarHBondContact O-N 3.41Å; R252-V254 PolarHBondContact O-N 3.44Å; R252-V254 VanDerWaalsContact O-N 3.15Å; V254-T257 PolarHBondContact O-N 2.69Å; V254-I258 HydrophobicContact CG1-CD1 3.89Å; V254-I258 VanDerWaalsContact O-CG1 3.29Å; V254-I258 WeakPolarHBondContact O-CG1 3.24Å; V254-I258 PolarHBondContact O-N 3.49Å; V254-M272 HydrophobicContact CG2-CE 4.42Å; V254-I297 HydrophobicContact CG1-CD1 3.71Å; V254-L300 HydrophobicContact CB-CD2 4.48Å; V254-L300 HydrophobicContact CG1-CD2 3.34Å; V254-L300 HydrophobicContact CG2-CD2 4.37Å; V254-A301 HydrophobicContact CB-CB 4.23Å; V254-A301 HydrophobicContact CG1-CB 4.32Å; V254-A301 HydrophobicContact CG2-CB 3.95Å; V254-V304 HydrophobicContact CG2-CB 3.95Å; V254-V304 HydrophobicContact CG2-CG1 3.86Å; V254-V304 HydrophobicContact CG2-CG2 4.03Å |
| 255 | N | 91.1 | Very high | 89.4 | Confident | 73 Ų | 73 | 60.1 Ų | 60.1 | 39% | 0.39 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.2 | -47.5 | 177.3 | -78.7 | -57.6 | 0 | 0 | 0 | 111.6 | M251 R252 T257 I258 A259 I297 | M251-N255 PolarHBondContact O-N 3.47Å; M251-N255 VanDerWaalsContact O-N 3.15Å; M251-N255 PolarHBondContact O-ND2 2.96Å; R252-N255 PolarHBondContact O-N 3.25Å; N255-T257 VanDerWaalsContact C-N 3.34Å; N255-T257 PolarHBondContact O-N 3.32Å; N255-I258 PolarHBondContact O-N 3.13Å; N255-A259 WeakPolarHBondContact O-CB 3.36Å; N255-A259 PolarHBondContact O-N 2.83Å; N255-I297 WeakPolarHBondContact OD1-CG1 3.49Å |
| 256 | D | 90 | Very high | 88.6 | Confident | 105 Ų | 105 | 61.5 Ų | 61.5 | 56% | 0.561 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.5 | -40.6 | -179 | -63.5 | -19.6 | 0 | 0 | 0 | 111 | R252 A259 L260 | R252-D256 WeakPolarHBondContact O-CB 3.29Å; R252-D256 PolarHBondContact O-N 2.89Å; D256-A259 PolarHBondContact O-N 2.93Å; D256-L260 VanDerWaalsContact O-CB 3.24Å; D256-L260 WeakPolarHBondContact O-CB 3.35Å; D256-L260 PolarHBondContact O-N 3.13Å |
| 257 | T | 87.4 | Confident | 87.6 | Confident | 15 Ų | 15 | 68.7 Ų | 68.7 | 9% | 0.092 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 177.9 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | L253 V254 N255 R261 M272 | L253-T257 VanDerWaalsContact O-CB 3.28Å; L253-T257 WeakPolarHBondContact O-CB 3.2Å; L253-T257 PolarHBondContact O-N 3.01Å; L253-T257 PolarHBondContact O-OG1 3.32Å; V254-T257 PolarHBondContact O-N 2.69Å; N255-T257 VanDerWaalsContact C-N 3.34Å; N255-T257 PolarHBondContact O-N 3.32Å; T257-R261 WeakPolarHBondContact O-CG 3.24Å; T257-R261 PolarHBondContact O-N 2.87Å; T257-R261 VanDerWaalsContact O-N 3.12Å; T257-M272 HydrophobicContact CG2-CE 4.05Å; T257-M272 HydrophobicContact CG2-CG 3.85Å; T257-M272 HydrophobicContact CG2-SD 4.39Å |
| 258 | I | 86.4 | Confident | 86.5 | Confident | 12 Ų | 12 | 71.7 Ų | 71.7 | 6% | 0.062 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.9 | -50 | 176.8 | -69.3 | 170.5 | 0 | 0 | 0 | 109.9 | V254 N255 L260 R261 E262 I276 I297 L300 | V254-I258 HydrophobicContact CG1-CD1 3.89Å; V254-I258 VanDerWaalsContact O-CG1 3.29Å; V254-I258 WeakPolarHBondContact O-CG1 3.24Å; V254-I258 PolarHBondContact O-N 3.49Å; N255-I258 PolarHBondContact O-N 3.13Å; I258-L260 VanDerWaalsContact C-N 3.29Å; I258-L260 PolarHBondContact O-N 3.16Å; I258-R261 PolarHBondContact O-N 3.17Å; I258-E262 HydrophobicContact CG2-CG 4.27Å; I258-E262 WeakPolarHBondContact O-CB 3.27Å; I258-E262 WeakPolarHBondContact O-CG 3.42Å; I258-E262 PolarHBondContact O-N 2.8Å; I258-I276 HydrophobicContact CG1-CD1 4.12Å; I258-I276 HydrophobicContact CG1-CG1 4.02Å; I258-I297 HydrophobicContact CD1-CD1 3.47Å; I258-I297 VanDerWaalsContact CD1-CD1 3.47Å; I258-L300 HydrophobicContact CD1-CD1 4.17Å; I258-L300 HydrophobicContact CD1-CD2 4.32Å |
| 259 | A | 88 | Confident | 85.3 | Confident | 54 Ų | 54 | 73.4 Ų | 73.4 | 45% | 0.446 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.7 | -41.2 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | N255 D256 R263 | N255-A259 WeakPolarHBondContact O-CB 3.36Å; N255-A259 PolarHBondContact O-N 2.83Å; D256-A259 PolarHBondContact O-N 2.93Å; A259-R263 VanDerWaalsContact O-CB 3.25Å; A259-R263 WeakPolarHBondContact O-CB 3.37Å; A259-R263 PolarHBondContact O-N 3.06Å |
| 260 | L | 86.3 | Confident | 84.6 | Confident | 71 Ų | 71 | 73 Ų | 73 | 37% | 0.372 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.2 | -49 | 176.1 | -179.2 | 67.7 | 0 | 0 | 0 | 111.7 | D256 I258 E262 R263 E264 F266 | D256-L260 VanDerWaalsContact O-CB 3.24Å; D256-L260 WeakPolarHBondContact O-CB 3.35Å; D256-L260 PolarHBondContact O-N 3.13Å; I258-L260 VanDerWaalsContact C-N 3.29Å; I258-L260 PolarHBondContact O-N 3.16Å; L260-E262 PolarHBondContact O-N 3.08Å; L260-R263 PolarHBondContact O-N 2.97Å; L260-E264 HydrophobicContact CD1-CG 3.75Å; L260-E264 HydrophobicContact CG-CG 4.3Å; L260-E264 WeakPolarHBondContact O-CB 3.22Å; L260-E264 WeakPolarHBondContact O-CG 3.45Å; L260-E264 PolarHBondContact O-N 3.03Å; L260-F266 HydrophobicContact CG-CE1 4.33Å |
| 261 | R | 85.8 | Confident | 84 | Confident | 18 Ų | 18 | 73.4 Ų | 73.4 | 7% | 0.068 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.2 | -37.8 | -178.5 | -72.3 | 177.9 | -171.7 | -149.1 | 0.5 | 112.4 | F192 T257 I258 N265 F266 D270 | F192-R261 PolarHBondContact O-NH2 3.31Å; T257-R261 WeakPolarHBondContact O-CG 3.24Å; T257-R261 PolarHBondContact O-N 2.87Å; T257-R261 VanDerWaalsContact O-N 3.12Å; I258-R261 PolarHBondContact O-N 3.17Å; R261-N265 WeakPolarHBondContact O-CA 3.45Å; R261-N265 PolarHBondContact O-N 3.07Å; R261-F266 HydrophobicContact CG-CE1 3.94Å; R261-F266 HydrophobicContact CG-CE2 4.28Å; R261-F266 HydrophobicContact CG-CZ 3.74Å; R261-D270 IonicContact CZ-OD1 3.17Å; R261-D270 IonicContact CZ-OD2 2.9Å; R261-D270 IonicContact NH1-OD1 3.05Å; R261-D270 PolarHBondContact NH1-OD1 3.33Å; R261-D270 IonicContact NH1-OD2 3.89Å; R261-D270 PolarHBondContact NH1-OD2 2.68Å; R261-D270 IonicContact NH2-OD1 2.97Å; R261-D270 PolarHBondContact NH2-OD1 2.7Å; R261-D270 IonicContact NH2-OD2 3.43Å; R261-D270 PolarHBondContact NH2-OD2 3.45Å |
| 262 | E | 83.3 | Confident | 83.5 | Confident | 111 Ų | 111 | 72.2 Ų | 72.2 | 52% | 0.519 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66 | -41.5 | 174.7 | -72.1 | 178.8 | 169.6 | 0 | 0 | 111.4 | I258 L260 | I258-E262 HydrophobicContact CG2-CG 4.27Å; I258-E262 WeakPolarHBondContact O-CB 3.27Å; I258-E262 WeakPolarHBondContact O-CG 3.42Å; I258-E262 PolarHBondContact O-N 2.8Å; L260-E262 PolarHBondContact O-N 3.08Å |
| 263 | R | 87.1 | Confident | 82.9 | Confident | 184 Ų | 184 | 66 Ų | 66 | 69% | 0.694 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -66.9 | -45.5 | 178.6 | -173.9 | -175.2 | 75.2 | -173.1 | 4.2 | 113 | A259 L260 | A259-R263 VanDerWaalsContact O-CB 3.25Å; A259-R263 WeakPolarHBondContact O-CB 3.37Å; A259-R263 PolarHBondContact O-N 3.06Å; L260-R263 PolarHBondContact O-N 2.97Å |
| 264 | E | 85.4 | Confident | 82.4 | Confident | 112 Ų | 112 | 67 Ų | 67 | 52% | 0.523 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -89.9 | -6.9 | -171.8 | -59 | -105.8 | 157 | 0 | 0 | 112.2 | L260 F266 | L260-E264 HydrophobicContact CD1-CG 3.75Å; L260-E264 HydrophobicContact CG-CG 4.3Å; L260-E264 WeakPolarHBondContact O-CB 3.22Å; L260-E264 WeakPolarHBondContact O-CG 3.45Å; L260-E264 PolarHBondContact O-N 3.03Å; E264-F266 HydrophobicContact CB-CD1 3.61Å; E264-F266 HydrophobicContact CB-CE1 4.11Å; E264-F266 HydrophobicContact CG-CD1 4.49Å; E264-F266 PolarHBondContact O-N 3.06Å; E264-F266 VanDerWaalsContact O-N 3.09Å |
| 265 | N | 78.4 | Confident | 82 | Confident | 142 Ų | 142 | 67 Ų | 67 | 76% | 0.759 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 33.6 | -179.1 | -164.2 | 33.5 | 0 | 0 | 0 | 114.2 | R261 | R261-N265 WeakPolarHBondContact O-CA 3.45Å; R261-N265 PolarHBondContact O-N 3.07Å |
| 266 | F | 76.3 | Confident | 81.5 | Confident | 87 Ų | 87 | 64.1 Ų | 64.1 | 38% | 0.382 | 31% | 0.31 | S | S | . | . | trans | -101.5 | 143.9 | 174.8 | 82.7 | -87.6 | 0 | 0 | 0 | 111 | L260 R261 E264 R268 | L260-F266 HydrophobicContact CG-CE1 4.33Å; R261-F266 HydrophobicContact CG-CE1 3.94Å; R261-F266 HydrophobicContact CG-CE2 4.28Å; R261-F266 HydrophobicContact CG-CZ 3.74Å; E264-F266 HydrophobicContact CB-CD1 3.61Å; E264-F266 HydrophobicContact CB-CE1 4.11Å; E264-F266 HydrophobicContact CG-CD1 4.49Å; E264-F266 PolarHBondContact O-N 3.06Å; E264-F266 VanDerWaalsContact O-N 3.09Å; F266-R268 HydrophobicContact CE2-CB 4.32Å | ||
| 267 | K | 71.1 | Confident | 81 | Confident | 150 Ų | 150 | 61.7 Ų | 61.7 | 65% | 0.652 | 30% | 0.296 | S | S | * | . | trans | -113.1 | 128.3 | 173.3 | -67.1 | -175.2 | 178.4 | -174.8 | 0 | 109.2 | ||||
| 268 | R | 71.7 | Confident | 80.4 | Confident | 81 Ų | 81 | 61.6 Ų | 61.6 | 31% | 0.306 | 29% | 0.294 | S | S | . | . | trans | -110.5 | 131.8 | 168.2 | -174.9 | 171.2 | 176.9 | 160 | 4.5 | 107.6 | T189 G193 F266 D270 N273 | T189-R268 PolarHBondContact O-NH2 3.15Å; G193-R268 VanDerWaalsContact C-NH1 3.31Å; G193-R268 PolarHBondContact O-NH1 3.46Å; F266-R268 HydrophobicContact CE2-CB 4.32Å; R268-D270 WeakPolarHBondContact CB-OD2 3.45Å; R268-D270 VanDerWaalsContact CD-OD2 3.28Å; R268-D270 WeakPolarHBondContact CD-OD2 3.28Å; R268-D270 HydrophobicContact CG-CB 4.33Å; R268-D270 VanDerWaalsContact CG-OD2 3.3Å; R268-D270 WeakPolarHBondContact CG-OD2 3.5Å; R268-D270 IonicContact NE-OD2 2.58Å; R268-D270 PolarHBondContact O-N 3.15Å; R268-N273 WeakPolarHBondContact O-CB 3.33Å | ||
| 269 | N | 69.3 | Low | 79.9 | Confident | 112 Ų | 112 | 64.7 Ų | 64.7 | 60% | 0.599 | 31% | 0.307 | S | S | * | . | trans | -77.5 | 63 | -178.8 | -72.3 | -36.9 | 0 | 0 | 0 | 111.5 | F144 | F144-N269 HydrophobicContact CE1-CB 3.84Å; F144-N269 WeakPolarHBondContact CE1-O 3.19Å; F144-N269 HydrophobicContact CZ-CB 3.78Å | ||
| 270 | D | 78.8 | Confident | 79.2 | Confident | 16 Ų | 16 | 67.7 Ų | 67.7 | 9% | 0.086 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -116.3 | 177.9 | 179.5 | 57.7 | 32.9 | 0 | 0 | 0 | 112.2 | G193 R261 R268 M272 N273 L274 | G193-D270 WeakPolarHBondContact CA-OD2 3.44Å; R261-D270 IonicContact CZ-OD1 3.17Å; R261-D270 IonicContact CZ-OD2 2.9Å; R261-D270 IonicContact NH1-OD1 3.05Å; R261-D270 PolarHBondContact NH1-OD1 3.33Å; R261-D270 IonicContact NH1-OD2 3.89Å; R261-D270 PolarHBondContact NH1-OD2 2.68Å; R261-D270 IonicContact NH2-OD1 2.97Å; R261-D270 PolarHBondContact NH2-OD1 2.7Å; R261-D270 IonicContact NH2-OD2 3.43Å; R261-D270 PolarHBondContact NH2-OD2 3.45Å; R268-D270 WeakPolarHBondContact CB-OD2 3.45Å; R268-D270 VanDerWaalsContact CD-OD2 3.28Å; R268-D270 WeakPolarHBondContact CD-OD2 3.28Å; R268-D270 HydrophobicContact CG-CB 4.33Å; R268-D270 VanDerWaalsContact CG-OD2 3.3Å; R268-D270 WeakPolarHBondContact CG-OD2 3.5Å; R268-D270 IonicContact NE-OD2 2.58Å; R268-D270 PolarHBondContact O-N 3.15Å; D270-M272 VanDerWaalsContact C-N 3.31Å; D270-M272 PolarHBondContact O-N 3.12Å; D270-M272 WeakPolarHBondContact OD1-CB 3.29Å; D270-M272 PolarHBondContact OD1-N 2.9Å; D270-N273 PolarHBondContact O-N 2.81Å; D270-N273 WeakPolarHBondContact OD1-CB 3.21Å; D270-N273 PolarHBondContact OD1-N 2.93Å; D270-L274 PolarHBondContact O-N 3.01Å |
| 271 | F | 79.7 | Confident | 78.3 | Confident | 9 Ų | 9 | 70.4 Ų | 70.4 | 4% | 0.039 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.8 | -37 | 179.2 | 177.3 | -117.7 | 0 | 0 | 0 | 112 | L133 T136 A191 F192 N273 L274 L275 Q303 F307 | L133-F271 HydrophobicContact CD2-CE2 3.62Å; L133-F271 HydrophobicContact CD2-CZ 3.72Å; T136-F271 HydrophobicContact CG2-CB 4.45Å; T136-F271 HydrophobicContact CG2-CD2 3.52Å; T136-F271 HydrophobicContact CG2-CE2 4.17Å; T136-F271 HydrophobicContact CG2-CG 4.37Å; A191-F271 HydrophobicContact CB-CB 4.01Å; A191-F271 HydrophobicContact CB-CD1 4.29Å; A191-F271 WeakPolarHBondContact O-CA 3.3Å; A191-F271 VanDerWaalsContact O-CB 3.26Å; A191-F271 WeakPolarHBondContact O-CB 3.44Å; A191-F271 PolarHBondContact O-N 3.41Å; A191-F271 VanDerWaalsContact O-N 3.09Å; F192-F271 HydrophobicContact CE1-CD1 4.25Å; F271-N273 VanDerWaalsContact C-N 3.32Å; F271-N273 PolarHBondContact O-N 2.98Å; F271-L274 HydrophobicContact CD2-CD2 4.33Å; F271-L274 HydrophobicContact CE2-CD2 4.5Å; F271-L274 WeakPolarHBondContact O-CB 3.28Å; F271-L274 PolarHBondContact O-N 3.46Å; F271-L275 HydrophobicContact CD1-CD1 4.03Å; F271-L275 HydrophobicContact CD1-CG 4.44Å; F271-L275 HydrophobicContact CE1-CD1 3.58Å; F271-L275 HydrophobicContact CE1-CD2 4.31Å; F271-L275 HydrophobicContact CE1-CG 4.09Å; F271-L275 HydrophobicContact CE2-CD2 4Å; F271-L275 HydrophobicContact CE2-CG 4.21Å; F271-L275 HydrophobicContact CZ-CD1 3.9Å; F271-L275 HydrophobicContact CZ-CD2 3.74Å; F271-L275 HydrophobicContact CZ-CG 3.96Å; F271-L275 WeakPolarHBondContact O-CG 3.24Å; F271-L275 PolarHBondContact O-N 3.48Å; F271-Q303 HydrophobicContact CZ-CB 4.5Å; F271-F307 HydrophobicContact CD1-CD2 4.45Å; F271-F307 HydrophobicContact CE1-CB 4.08Å; F271-F307 AromaticContact CE1-CD2 3.33Å; F271-F307 HydrophobicContact CE1-CD2 3.33Å; F271-F307 AromaticContact CE1-CE2 3.95Å; F271-F307 HydrophobicContact CE1-CE2 3.95Å; F271-F307 AromaticContact CE1-CG 3.81Å; F271-F307 HydrophobicContact CE1-CG 3.81Å; F271-F307 HydrophobicContact CE2-CD2 4.36Å; F271-F307 HydrophobicContact CE2-CE2 4.2Å; F271-F307 AromaticContact CZ-CD2 3.27Å; F271-F307 HydrophobicContact CZ-CD2 3.27Å; F271-F307 AromaticContact CZ-CE2 3.36Å; F271-F307 HydrophobicContact CZ-CE2 3.36Å; F271-F307 HydrophobicContact CZ-CG 4.03Å; F271-F307 HydrophobicContact CZ-CZ 4.14Å |
| 272 | M | 83.7 | Confident | 77.1 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.6 | -41.9 | 174.5 | -176.8 | 67.2 | 78.1 | 0 | 0 | 112 | A191 F192 V254 T257 D270 L274 L275 I276 L300 V304 | A191-M272 PolarHBondContact O-N 2.89Å; F192-M272 HydrophobicContact CD1-CE 4.29Å; V254-M272 HydrophobicContact CG2-CE 4.42Å; T257-M272 HydrophobicContact CG2-CE 4.05Å; T257-M272 HydrophobicContact CG2-CG 3.85Å; T257-M272 HydrophobicContact CG2-SD 4.39Å; D270-M272 VanDerWaalsContact C-N 3.31Å; D270-M272 PolarHBondContact O-N 3.12Å; D270-M272 WeakPolarHBondContact OD1-CB 3.29Å; D270-M272 PolarHBondContact OD1-N 2.9Å; M272-L274 VanDerWaalsContact C-N 3.34Å; M272-L274 PolarHBondContact O-N 3.18Å; M272-L275 PolarHBondContact O-N 3.29Å; M272-L275 VanDerWaalsContact O-N 3.16Å; M272-I276 HydrophobicContact CG-CD1 3.92Å; M272-I276 HydrophobicContact CG-CG1 4.46Å; M272-I276 VanDerWaalsContact O-CG1 3.29Å; M272-I276 WeakPolarHBondContact O-CG1 3.34Å; M272-I276 PolarHBondContact O-N 3.49Å; M272-L300 HydrophobicContact SD-CD2 3.89Å; M272-V304 HydrophobicContact CE-CG1 4.41Å; M272-V304 HydrophobicContact CE-CG2 3.74Å; M272-V304 HydrophobicContact SD-CG2 4.19Å |
| 273 | N | 82.2 | Confident | 76.1 | Confident | 13 Ų | 13 | 74.5 Ų | 74.5 | 7% | 0.07 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65 | -38.5 | 177.8 | -174.1 | 79.6 | 0 | 0 | 0 | 112.1 | R268 D270 F271 L275 I276 E277 | R268-N273 WeakPolarHBondContact O-CB 3.33Å; D270-N273 PolarHBondContact O-N 2.81Å; D270-N273 WeakPolarHBondContact OD1-CB 3.21Å; D270-N273 PolarHBondContact OD1-N 2.93Å; F271-N273 VanDerWaalsContact C-N 3.32Å; F271-N273 PolarHBondContact O-N 2.98Å; N273-L275 VanDerWaalsContact C-N 3.32Å; N273-L275 PolarHBondContact O-N 2.96Å; N273-I276 PolarHBondContact O-N 2.78Å; N273-E277 PolarHBondContact ND2-OE1 3.19Å; N273-E277 WeakPolarHBondContact O-CG 3.42Å; N273-E277 PolarHBondContact O-N 3.4Å |
| 274 | L | 78.1 | Confident | 75.1 | Confident | 43 Ų | 43 | 67 Ų | 67 | 23% | 0.225 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.5 | -45.1 | 171.9 | 176.9 | 69.7 | 0 | 0 | 0 | 111.3 | T136 D270 F271 M272 I276 E277 L278 | T136-L274 HydrophobicContact CG2-CD2 4.35Å; T136-L274 WeakPolarHBondContact OG1-CD2 3.07Å; D270-L274 PolarHBondContact O-N 3.01Å; F271-L274 HydrophobicContact CD2-CD2 4.33Å; F271-L274 HydrophobicContact CE2-CD2 4.5Å; F271-L274 WeakPolarHBondContact O-CB 3.28Å; F271-L274 PolarHBondContact O-N 3.46Å; M272-L274 VanDerWaalsContact C-N 3.34Å; M272-L274 PolarHBondContact O-N 3.18Å; L274-I276 VanDerWaalsContact C-N 3.33Å; L274-I276 PolarHBondContact O-N 3.45Å; L274-E277 PolarHBondContact O-N 3.24Å; L274-L278 HydrophobicContact CD1-CD1 4.46Å; L274-L278 HydrophobicContact CD1-CG 4.45Å; L274-L278 HydrophobicContact CG-CD1 4.12Å; L274-L278 WeakPolarHBondContact O-CB 3.34Å; L274-L278 VanDerWaalsContact O-CG 3.25Å; L274-L278 WeakPolarHBondContact O-CG 3.25Å; L274-L278 PolarHBondContact O-N 3.33Å |
| 275 | L | 81.5 | Confident | 74.2 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 178.7 | -63.4 | 179 | 0 | 0 | 0 | 112.1 | L133 F271 M272 N273 L278 K279 M295 L300 Q303 V304 | L133-L275 HydrophobicContact CD2-CD2 3.89Å; F271-L275 HydrophobicContact CD1-CD1 4.03Å; F271-L275 HydrophobicContact CD1-CG 4.44Å; F271-L275 HydrophobicContact CE1-CD1 3.58Å; F271-L275 HydrophobicContact CE1-CD2 4.31Å; F271-L275 HydrophobicContact CE1-CG 4.09Å; F271-L275 HydrophobicContact CE2-CD2 4Å; F271-L275 HydrophobicContact CE2-CG 4.21Å; F271-L275 HydrophobicContact CZ-CD1 3.9Å; F271-L275 HydrophobicContact CZ-CD2 3.74Å; F271-L275 HydrophobicContact CZ-CG 3.96Å; F271-L275 WeakPolarHBondContact O-CG 3.24Å; F271-L275 PolarHBondContact O-N 3.48Å; M272-L275 PolarHBondContact O-N 3.29Å; M272-L275 VanDerWaalsContact O-N 3.16Å; N273-L275 VanDerWaalsContact C-N 3.32Å; N273-L275 PolarHBondContact O-N 2.96Å; L275-L278 PolarHBondContact O-N 3.09Å; L275-K279 PolarHBondContact O-N 2.74Å; L275-M295 HydrophobicContact CB-CE 4.08Å; L275-M295 HydrophobicContact CD2-CE 3.53Å; L275-M295 HydrophobicContact CD2-SD 4.33Å; L275-M295 HydrophobicContact CG-CE 4.41Å; L275-L300 HydrophobicContact CB-CD1 3.7Å; L275-L300 HydrophobicContact CB-CD2 4.29Å; L275-L300 HydrophobicContact CB-CG 3.76Å; L275-L300 HydrophobicContact CD1-CD2 4.13Å; L275-L300 HydrophobicContact CD1-CG 4.06Å; L275-L300 HydrophobicContact CG-CG 4.48Å; L275-Q303 HydrophobicContact CD1-CB 4.29Å; L275-Q303 HydrophobicContact CD2-CB 4.3Å; L275-V304 HydrophobicContact CD1-CG2 3.6Å |
| 276 | I | 81.3 | Confident | 73.6 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 6% | 0.056 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 174.8 | -69.4 | 167.7 | 0 | 0 | 0 | 110.7 | I258 M272 N273 L274 L278 K279 Q280 | I258-I276 HydrophobicContact CG1-CD1 4.12Å; I258-I276 HydrophobicContact CG1-CG1 4.02Å; M272-I276 HydrophobicContact CG-CD1 3.92Å; M272-I276 HydrophobicContact CG-CG1 4.46Å; M272-I276 VanDerWaalsContact O-CG1 3.29Å; M272-I276 WeakPolarHBondContact O-CG1 3.34Å; M272-I276 PolarHBondContact O-N 3.49Å; N273-I276 PolarHBondContact O-N 2.78Å; L274-I276 VanDerWaalsContact C-N 3.33Å; L274-I276 PolarHBondContact O-N 3.45Å; I276-L278 VanDerWaalsContact C-N 3.33Å; I276-L278 PolarHBondContact O-N 2.96Å; I276-K279 WeakPolarHBondContact O-CB 3.28Å; I276-K279 PolarHBondContact O-N 3.33Å; I276-K279 VanDerWaalsContact O-N 3.15Å; I276-Q280 HydrophobicContact CG2-CG 4.28Å; I276-Q280 WeakPolarHBondContact O-CB 3.47Å; I276-Q280 WeakPolarHBondContact O-CG 3.43Å; I276-Q280 PolarHBondContact O-N 2.93Å |
| 277 | E | 78.9 | Confident | 72.7 | Confident | 55 Ų | 55 | 65.3 Ų | 65.3 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 176.6 | -75.4 | 179.5 | -167.2 | 0 | 0 | 111.9 | N273 L274 K279 Q280 K281 | N273-E277 PolarHBondContact ND2-OE1 3.19Å; N273-E277 WeakPolarHBondContact O-CG 3.42Å; N273-E277 PolarHBondContact O-N 3.4Å; L274-E277 PolarHBondContact O-N 3.24Å; E277-K279 VanDerWaalsContact C-N 3.31Å; E277-K279 PolarHBondContact O-N 2.87Å; E277-Q280 PolarHBondContact O-N 2.58Å; E277-K281 WeakPolarHBondContact O-CB 3.46Å; E277-K281 VanDerWaalsContact O-CG 3.27Å; E277-K281 WeakPolarHBondContact O-CG 3.38Å; E277-K281 PolarHBondContact O-N 2.96Å |
| 278 | L | 75.5 | Confident | 72.4 | Confident | 13 Ų | 13 | 62.6 Ų | 62.6 | 7% | 0.068 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65 | -34.2 | 174.9 | -71.4 | 172.5 | 0 | 0 | 0 | 112.1 | R132 L274 L275 I276 V284 G294 M295 | R132-L278 HydrophobicContact CB-CD1 4.14Å; L274-L278 HydrophobicContact CD1-CD1 4.46Å; L274-L278 HydrophobicContact CD1-CG 4.45Å; L274-L278 HydrophobicContact CG-CD1 4.12Å; L274-L278 WeakPolarHBondContact O-CB 3.34Å; L274-L278 VanDerWaalsContact O-CG 3.25Å; L274-L278 WeakPolarHBondContact O-CG 3.25Å; L274-L278 PolarHBondContact O-N 3.33Å; L275-L278 PolarHBondContact O-N 3.09Å; I276-L278 VanDerWaalsContact C-N 3.33Å; I276-L278 PolarHBondContact O-N 2.96Å; L278-V284 HydrophobicContact CD2-CG2 3.8Å; L278-G294 VanDerWaalsContact O-CA 3.32Å; L278-G294 WeakPolarHBondContact O-CA 3.46Å; L278-M295 HydrophobicContact CB-CE 3.53Å; L278-M295 HydrophobicContact CD1-CE 3.77Å; L278-M295 HydrophobicContact CG-CE 4.32Å |
| 279 | K | 75.7 | Confident | 72.1 | Confident | 77 Ų | 77 | 61.2 Ų | 61.2 | 34% | 0.335 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.7 | -45.7 | 171.4 | 173.8 | 176.2 | -176.9 | -63.3 | 0 | 111.6 | L275 I276 E277 M295 L300 | L275-K279 PolarHBondContact O-N 2.74Å; I276-K279 WeakPolarHBondContact O-CB 3.28Å; I276-K279 PolarHBondContact O-N 3.33Å; I276-K279 VanDerWaalsContact O-N 3.15Å; E277-K279 VanDerWaalsContact C-N 3.31Å; E277-K279 PolarHBondContact O-N 2.87Å; K279-M295 WeakPolarHBondContact CG-O 3.48Å; K279-L300 HydrophobicContact CB-CD1 4.33Å; K279-L300 HydrophobicContact CD-CD1 4.34Å |
| 280 | Q | 73.6 | Confident | 72 | Confident | 116 Ų | 116 | 59.5 Ų | 59.5 | 54% | 0.542 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -71.6 | -36.9 | -175.6 | -74.3 | 175.9 | -9.3 | 0 | 0 | 113.6 | I276 E277 G282 | I276-Q280 HydrophobicContact CG2-CG 4.28Å; I276-Q280 WeakPolarHBondContact O-CB 3.47Å; I276-Q280 WeakPolarHBondContact O-CG 3.43Å; I276-Q280 PolarHBondContact O-N 2.93Å; E277-Q280 PolarHBondContact O-N 2.58Å; Q280-G282 PolarHBondContact O-N 3.39Å; Q280-G282 VanDerWaalsContact O-N 3.15Å |
| 281 | K | 66.3 | Low | 71.5 | Confident | 128 Ų | 128 | 62.8 Ų | 62.8 | 56% | 0.557 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23.9 | -178.1 | -77.9 | 174.3 | -176.9 | 174.8 | 0 | 112.4 | E277 R283 V284 | E277-K281 WeakPolarHBondContact O-CB 3.46Å; E277-K281 VanDerWaalsContact O-CG 3.27Å; E277-K281 WeakPolarHBondContact O-CG 3.38Å; E277-K281 PolarHBondContact O-N 2.96Å; K281-R283 PolarHBondContact O-N 3.46Å; K281-V284 HydrophobicContact CB-CG2 4.11Å; K281-V284 HydrophobicContact CD-CG2 4.42Å |
| 282 | G | 60.4 | Low | 70.9 | Confident | 40 Ų | 40 | 62.6 Ų | 62.6 | 41% | 0.412 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 66.8 | -33.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q280 E293 G294 | Q280-G282 PolarHBondContact O-N 3.39Å; Q280-G282 VanDerWaalsContact O-N 3.15Å; G282-E293 CarbonylContact O-C 3.43Å; G282-E293 WeakPolarHBondContact O-CA 3.2Å; G282-G294 PolarHBondContact O-N 2.73Å |
| 283 | R | 63.9 | Low | 70.2 | Confident | 175 Ų | 175 | 69.2 Ų | 69.2 | 66% | 0.66 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 132.7 | 169 | -71.7 | -178.1 | 179.2 | 155.2 | 1.1 | 109 | K281 V291 I292 | K281-R283 PolarHBondContact O-N 3.46Å; R283-V291 HydrophobicContact CB-CG1 3.72Å; R283-V291 HydrophobicContact CG-CG1 3.99Å; R283-I292 CarbonylContact C-O 3.59Å; R283-I292 WeakPolarHBondContact CA-O 3.31Å |
| 284 | V | 64.9 | Low | 69.5 | Low | 26 Ų | 26 | 69.5 Ų | 69.5 | 16% | 0.158 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 118 | 176.8 | 179.2 | 0 | 0 | 0 | 0 | 107.7 | L278 K281 I292 | L278-V284 HydrophobicContact CD2-CG2 3.8Å; K281-V284 HydrophobicContact CB-CG2 4.11Å; K281-V284 HydrophobicContact CD-CG2 4.42Å; V284-I292 PolarHBondContact N-O 2.73Å; V284-I292 PolarHBondContact O-N 2.97Å |
| 285 | T | 67.9 | Low | 69.5 | Low | 95 Ų | 95 | 67.9 Ų | 67.9 | 58% | 0.583 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 119 | 169.4 | -50.1 | 0 | 0 | 0 | 0 | 108.1 | E290 | T285-E290 WeakPolarHBondContact CA-O 3.28Å |
| 286 | L | 64.6 | Low | 69.7 | Low | 29 Ų | 29 | 72.1 Ų | 72.1 | 15% | 0.152 | 38% | 0.384 | C | S | . | . | trans | -74.6 | 163.8 | 173.8 | -68.7 | -170.5 | 0 | 0 | 0 | 111.4 | Q131 N288 G289 E290 I292 | Q131-L286 HydrophobicContact CB-CD1 4.08Å; Q131-L286 HydrophobicContact CG-CD1 4.36Å; Q131-L286 VanDerWaalsContact OE1-CD1 3.25Å; L286-N288 WeakPolarHBondContact CB-OD1 3.33Å; L286-N288 PolarHBondContact O-N 2.89Å; L286-G289 PolarHBondContact O-N 3.22Å; L286-E290 HydrophobicContact CD1-CB 4.43Å; L286-E290 PolarHBondContact N-O 2.77Å; L286-I292 HydrophobicContact CD1-CD1 3.32Å; L286-I292 HydrophobicContact CD1-CG1 4.27Å; L286-I292 HydrophobicContact CD2-CD1 4Å; L286-I292 HydrophobicContact CG-CD1 3.57Å; L286-I292 HydrophobicContact CG-CG1 4.21Å | ||
| 287 | D | 57.1 | Low | 70 | Confident | 183 Ų | 183 | 74.1 Ų | 74.1 | 98% | 0.979 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -20.6 | 177 | -59.3 | -26.5 | 0 | 0 | 0 | 113.3 | G289 | D287-G289 VanDerWaalsContact C-N 3.35Š|
| 288 | N | 64.4 | Low | 70.5 | Confident | 92 Ų | 92 | 71.8 Ų | 71.8 | 49% | 0.492 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 6.2 | 175.1 | 70.1 | -8 | 0 | 0 | 0 | 113.8 | L286 E290 | L286-N288 WeakPolarHBondContact CB-OD1 3.33Å; L286-N288 PolarHBondContact O-N 2.89Å; N288-E290 VanDerWaalsContact C-N 3.32Å; N288-E290 PolarHBondContact ND2-OE2 3.22Å; N288-E290 PolarHBondContact O-N 2.75Å; N288-E290 WeakPolarHBondContact OD1-CB 3.43Å; N288-E290 PolarHBondContact OD1-N 3.18Å |
| 289 | G | 66 | Low | 71.2 | Confident | 53 Ų | 53 | 72.7 Ų | 72.7 | 55% | 0.546 | 39% | 0.389 | S | S | . | . | S | Bend | trans | 81.8 | -2.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | L286 D287 | L286-G289 PolarHBondContact O-N 3.22Å; D287-G289 VanDerWaalsContact C-N 3.35Å |
| 290 | E | 67.6 | Low | 71.9 | Confident | 75 Ų | 75 | 69 Ų | 69 | 35% | 0.35 | 37% | 0.373 | S | S | . | . | trans | -72.4 | 130.5 | 177.1 | -72.1 | -179.4 | 139.7 | 0 | 0 | 111.1 | T285 L286 N288 | T285-E290 WeakPolarHBondContact CA-O 3.28Å; L286-E290 HydrophobicContact CD1-CB 4.43Å; L286-E290 PolarHBondContact N-O 2.77Å; N288-E290 VanDerWaalsContact C-N 3.32Å; N288-E290 PolarHBondContact ND2-OE2 3.22Å; N288-E290 PolarHBondContact O-N 2.75Å; N288-E290 WeakPolarHBondContact OD1-CB 3.43Å; N288-E290 PolarHBondContact OD1-N 3.18Å | ||
| 291 | V | 69.1 | Low | 72.8 | Confident | 86 Ų | 86 | 63.5 Ų | 63.5 | 52% | 0.521 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 124.8 | 175.2 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | R283 | R283-V291 HydrophobicContact CB-CG1 3.72Å; R283-V291 HydrophobicContact CG-CG1 3.99Å |
| 292 | I | 66.6 | Low | 74.2 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 132.5 | -176.7 | -59.9 | -176.9 | 0 | 0 | 0 | 110.1 | D128 R283 V284 L286 | D128-I292 HydrophobicContact CB-CD1 4.16Å; D128-I292 HydrophobicContact CB-CG2 4.22Å; R283-I292 CarbonylContact C-O 3.59Å; R283-I292 WeakPolarHBondContact CA-O 3.31Å; V284-I292 PolarHBondContact N-O 2.73Å; V284-I292 PolarHBondContact O-N 2.97Å; L286-I292 HydrophobicContact CD1-CD1 3.32Å; L286-I292 HydrophobicContact CD1-CG1 4.27Å; L286-I292 HydrophobicContact CD2-CD1 4Å; L286-I292 HydrophobicContact CG-CD1 3.57Å; L286-I292 HydrophobicContact CG-CG1 4.21Å |
| 293 | E | 67.7 | Low | 75.8 | Confident | 140 Ų | 140 | 55.5 Ų | 55.5 | 65% | 0.654 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 151.7 | 177.3 | -64.6 | -175.2 | 160.3 | 0 | 0 | 113.1 | R132 G282 | R132-E293 PolarHBondContact NH1-O 3.29Å; R132-E293 PolarHBondContact NH2-O 3.34Å; G282-E293 CarbonylContact O-C 3.43Å; G282-E293 WeakPolarHBondContact O-CA 3.2Å |
| 294 | G | 68.4 | Low | 77.1 | Confident | 19 Ų | 19 | 47.1 Ų | 47.1 | 20% | 0.196 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -64 | 172.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L278 G282 | L278-G294 VanDerWaalsContact O-CA 3.32Å; L278-G294 WeakPolarHBondContact O-CA 3.46Å; G282-G294 PolarHBondContact O-N 2.73Å |
| 295 | M | 78.6 | Confident | 78.4 | Confident | 8 Ų | 8 | 46.2 Ų | 46.2 | 4% | 0.039 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -91 | 141.5 | 178.4 | -73.2 | -177.8 | -61.3 | 0 | 0 | 112.5 | M129 L275 L278 K279 E299 Q303 | M129-M295 HydrophobicContact CE-CG 4.33Å; M129-M295 HydrophobicContact CE-SD 3.84Å; M129-M295 HydrophobicContact SD-SD 4.03Å; L275-M295 HydrophobicContact CB-CE 4.08Å; L275-M295 HydrophobicContact CD2-CE 3.53Å; L275-M295 HydrophobicContact CD2-SD 4.33Å; L275-M295 HydrophobicContact CG-CE 4.41Å; L278-M295 HydrophobicContact CB-CE 3.53Å; L278-M295 HydrophobicContact CD1-CE 3.77Å; L278-M295 HydrophobicContact CG-CE 4.32Å; K279-M295 WeakPolarHBondContact CG-O 3.48Å; M295-E299 WeakPolarHBondContact CA-OE2 3.45Å; M295-E299 HydrophobicContact CB-CB 4.25Å; M295-E299 HydrophobicContact CG-CB 4.38Å; M295-Q303 HydrophobicContact SD-CG 4.44Å |
| 296 | D | 84.9 | Confident | 79.6 | Confident | 89 Ų | 89 | 42.7 Ų | 42.7 | 48% | 0.476 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -78.5 | 170.9 | 164.4 | 78.1 | 42.7 | 0 | 0 | 0 | 112 | G298 E299 L300 | D296-G298 VanDerWaalsContact C-N 3.3Å; D296-G298 PolarHBondContact O-N 3.35Å; D296-G298 VanDerWaalsContact OD1-CA 3.26Å; D296-G298 WeakPolarHBondContact OD1-CA 3.41Å; D296-G298 PolarHBondContact OD1-N 3.25Å; D296-E299 PolarHBondContact N-OE2 3.18Å; D296-E299 VanDerWaalsContact N-OE2 3.11Å; D296-E299 PolarHBondContact O-N 3.31Å; D296-E299 PolarHBondContact OD1-N 3.4Å; D296-L300 WeakPolarHBondContact O-CB 3.47Å; D296-L300 PolarHBondContact O-N 2.58Å |
| 297 | I | 87.4 | Confident | 81 | Confident | 53 Ų | 53 | 42.2 Ų | 42.2 | 27% | 0.272 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.5 | -34.2 | -177.9 | -168.3 | 64.4 | 0 | 0 | 0 | 112.8 | V254 N255 I258 A301 | V254-I297 HydrophobicContact CG1-CD1 3.71Å; N255-I297 WeakPolarHBondContact OD1-CG1 3.49Å; I258-I297 HydrophobicContact CD1-CD1 3.47Å; I258-I297 VanDerWaalsContact CD1-CD1 3.47Å; I297-A301 WeakPolarHBondContact O-CB 3.47Å; I297-A301 PolarHBondContact O-N 2.86Å |
| 298 | G | 90.5 | Very high | 82.6 | Confident | 7 Ų | 7 | 33.5 Ų | 33.5 | 7% | 0.072 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71 | -42.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D296 L300 A301 A302 | D296-G298 VanDerWaalsContact C-N 3.3Å; D296-G298 PolarHBondContact O-N 3.35Å; D296-G298 VanDerWaalsContact OD1-CA 3.26Å; D296-G298 WeakPolarHBondContact OD1-CA 3.41Å; D296-G298 PolarHBondContact OD1-N 3.25Å; G298-L300 VanDerWaalsContact C-N 3.33Å; G298-A301 PolarHBondContact O-N 3.07Å; G298-A302 WeakPolarHBondContact O-CB 3.4Å; G298-A302 PolarHBondContact O-N 3.38Å |
| 299 | E | 90.3 | Very high | 83.9 | Confident | 31 Ų | 31 | 29.9 Ų | 29.9 | 15% | 0.145 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.3 | -41.2 | 173.6 | -70 | -177.7 | 139.2 | 0 | 0 | 111.6 | M295 D296 A302 Q303 | M295-E299 WeakPolarHBondContact CA-OE2 3.45Å; M295-E299 HydrophobicContact CB-CB 4.25Å; M295-E299 HydrophobicContact CG-CB 4.38Å; D296-E299 PolarHBondContact N-OE2 3.18Å; D296-E299 VanDerWaalsContact N-OE2 3.11Å; D296-E299 PolarHBondContact O-N 3.31Å; D296-E299 PolarHBondContact OD1-N 3.4Å; E299-A302 PolarHBondContact O-N 2.99Å; E299-Q303 WeakPolarHBondContact O-CG 3.35Å; E299-Q303 PolarHBondContact O-N 3.06Å; E299-Q303 VanDerWaalsContact O-N 3.07Å; E299-Q303 PolarHBondContact O-NE2 2.69Å |
| 300 | L | 90.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.3 | -48.9 | 175.8 | -164.5 | 150.9 | 0 | 0 | 0 | 110.7 | V254 I258 M272 L275 K279 D296 G298 A302 Q303 V304 | V254-L300 HydrophobicContact CB-CD2 4.48Å; V254-L300 HydrophobicContact CG1-CD2 3.34Å; V254-L300 HydrophobicContact CG2-CD2 4.37Å; I258-L300 HydrophobicContact CD1-CD1 4.17Å; I258-L300 HydrophobicContact CD1-CD2 4.32Å; M272-L300 HydrophobicContact SD-CD2 3.89Å; L275-L300 HydrophobicContact CB-CD1 3.7Å; L275-L300 HydrophobicContact CB-CD2 4.29Å; L275-L300 HydrophobicContact CB-CG 3.76Å; L275-L300 HydrophobicContact CD1-CD2 4.13Å; L275-L300 HydrophobicContact CD1-CG 4.06Å; L275-L300 HydrophobicContact CG-CG 4.48Å; K279-L300 HydrophobicContact CB-CD1 4.33Å; K279-L300 HydrophobicContact CD-CD1 4.34Å; D296-L300 WeakPolarHBondContact O-CB 3.47Å; D296-L300 PolarHBondContact O-N 2.58Å; G298-L300 VanDerWaalsContact C-N 3.33Å; L300-A302 VanDerWaalsContact C-N 3.29Å; L300-A302 PolarHBondContact O-N 3.3Å; L300-Q303 PolarHBondContact O-N 3.25Å; L300-Q303 VanDerWaalsContact O-N 3.16Å; L300-V304 HydrophobicContact CD2-CG2 3.96Å; L300-V304 WeakPolarHBondContact O-CG2 3.38Å; L300-V304 PolarHBondContact O-N 3.27Å |
| 301 | A | 92.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.2 | -37 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L114 M251 V254 I297 G298 Q303 V304 F305 | L114-A301 HydrophobicContact CD2-CB 3.8Å; M251-A301 HydrophobicContact CE-CB 4.46Å; M251-A301 HydrophobicContact SD-CB 3.52Å; M251-A301 VanDerWaalsContact SD-CB 3.52Å; V254-A301 HydrophobicContact CB-CB 4.23Å; V254-A301 HydrophobicContact CG1-CB 4.32Å; V254-A301 HydrophobicContact CG2-CB 3.95Å; I297-A301 WeakPolarHBondContact O-CB 3.47Å; I297-A301 PolarHBondContact O-N 2.86Å; G298-A301 PolarHBondContact O-N 3.07Å; A301-Q303 PolarHBondContact O-N 2.89Å; A301-V304 PolarHBondContact O-N 3.32Å; A301-F305 VanDerWaalsContact O-CB 3.24Å; A301-F305 WeakPolarHBondContact O-CB 3.47Å; A301-F305 PolarHBondContact O-N 2.71Å |
| 302 | A | 94.5 | Very high | 87 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.9 | -41.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P113 H117 G298 E299 L300 V306 | P113-A302 WeakPolarHBondContact O-CB 3.26Å; H117-A302 HydrophobicContact CB-CB 4.05Å; H117-A302 VanDerWaalsContact CB-O 3.25Å; H117-A302 WeakPolarHBondContact CB-O 3.4Å; G298-A302 WeakPolarHBondContact O-CB 3.4Å; G298-A302 PolarHBondContact O-N 3.38Å; E299-A302 PolarHBondContact O-N 2.99Å; L300-A302 VanDerWaalsContact C-N 3.29Å; L300-A302 PolarHBondContact O-N 3.3Å; A302-V306 PolarHBondContact O-N 2.88Å |
| 303 | Q | 93.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.3 | -47.4 | 176 | -58.3 | -23.4 | -68.7 | 0 | 0 | 110.8 | Q116 M129 L133 F271 L275 M295 E299 L300 A301 F305 V306 F307 | Q116-Q303 PolarHBondContact O-NE2 3.37Å; M129-Q303 HydrophobicContact CE-CG 4.29Å; M129-Q303 HydrophobicContact SD-CG 3.89Å; L133-Q303 HydrophobicContact CD1-CG 4.4Å; F271-Q303 HydrophobicContact CZ-CB 4.5Å; L275-Q303 HydrophobicContact CD1-CB 4.29Å; L275-Q303 HydrophobicContact CD2-CB 4.3Å; M295-Q303 HydrophobicContact SD-CG 4.44Å; E299-Q303 WeakPolarHBondContact O-CG 3.35Å; E299-Q303 PolarHBondContact O-N 3.06Å; E299-Q303 VanDerWaalsContact O-N 3.07Å; E299-Q303 PolarHBondContact O-NE2 2.69Å; L300-Q303 PolarHBondContact O-N 3.25Å; L300-Q303 VanDerWaalsContact O-N 3.16Å; A301-Q303 PolarHBondContact O-N 2.89Å; Q303-F305 VanDerWaalsContact C-N 3.28Å; Q303-F305 PolarHBondContact O-N 3.01Å; Q303-V306 WeakPolarHBondContact O-CG1 3.43Å; Q303-V306 PolarHBondContact O-N 3.2Å; Q303-F307 HydrophobicContact CB-CD2 4.32Å; Q303-F307 HydrophobicContact CB-CE2 4.42Å; Q303-F307 WeakPolarHBondContact O-CD2 3.03Å; Q303-F307 PolarHBondContact O-N 2.87Å |
| 304 | V | 91.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -54.1 | -47.5 | 176.8 | 166 | 0 | 0 | 0 | 0 | 111.1 | F192 F250 V254 M272 L275 L300 A301 Y308 | F192-V304 HydrophobicContact CD1-CG1 3.94Å; F192-V304 HydrophobicContact CD1-CG2 4.35Å; F192-V304 HydrophobicContact CE1-CB 4.03Å; F192-V304 HydrophobicContact CE1-CG1 3.58Å; F192-V304 HydrophobicContact CE1-CG2 4.04Å; F192-V304 HydrophobicContact CZ-CG1 4.08Å; F192-V304 WeakPolarHBondContact CZ-O 3.34Å; F250-V304 HydrophobicContact CD1-CG1 4.39Å; V254-V304 HydrophobicContact CG2-CB 3.95Å; V254-V304 HydrophobicContact CG2-CG1 3.86Å; V254-V304 HydrophobicContact CG2-CG2 4.03Å; M272-V304 HydrophobicContact CE-CG1 4.41Å; M272-V304 HydrophobicContact CE-CG2 3.74Å; M272-V304 HydrophobicContact SD-CG2 4.19Å; L275-V304 HydrophobicContact CD1-CG2 3.6Å; L300-V304 HydrophobicContact CD2-CG2 3.96Å; L300-V304 WeakPolarHBondContact O-CG2 3.38Å; L300-V304 PolarHBondContact O-N 3.27Å; A301-V304 PolarHBondContact O-N 3.32Å; V304-Y308 WeakPolarHBondContact O-CB 3.32Å; V304-Y308 PolarHBondContact O-N 3.14Å |
| 305 | F | 93.3 | Very high | 90.7 | Very high | 6 Ų | 6 | 18 Ų | 18 | 3% | 0.026 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -56.4 | -54.1 | 176 | 169.4 | -104.8 | 0 | 0 | 0 | 112.5 | L114 H117 V213 M242 V246 F250 A301 Q303 F307 Y308 V309 | L114-F305 HydrophobicContact CB-CD1 4.21Å; L114-F305 HydrophobicContact CB-CG 4.38Å; L114-F305 HydrophobicContact CD1-CB 4.46Å; L114-F305 HydrophobicContact CD1-CD2 4.14Å; L114-F305 HydrophobicContact CD1-CG 4.19Å; L114-F305 HydrophobicContact CD2-CB 4.07Å; H117-F305 AromaticContact CD2-CD1 3.93Å; V213-F305 HydrophobicContact CG1-CE2 4.34Å; V213-F305 HydrophobicContact CG1-CZ 3.86Å; V213-F305 HydrophobicContact CG2-CE2 3.56Å; V213-F305 HydrophobicContact CG2-CZ 3.92Å; M242-F305 HydrophobicContact SD-CE1 3.81Å; M242-F305 HydrophobicContact SD-CE2 4.23Å; M242-F305 HydrophobicContact SD-CZ 3.43Å; M242-F305 WeakPolarHBondContact SD-CZ 3.42Å; V246-F305 HydrophobicContact CG1-CE2 3.91Å; F250-F305 HydrophobicContact CD1-CB 4.25Å; F250-F305 HydrophobicContact CD1-CD2 4.36Å; F250-F305 AromaticContact CD2-CD2 3.53Å; F250-F305 HydrophobicContact CD2-CD2 3.53Å; F250-F305 HydrophobicContact CD2-CE2 4.18Å; F250-F305 HydrophobicContact CE1-CD2 4.4Å; F250-F305 AromaticContact CE2-CD2 3.6Å; F250-F305 HydrophobicContact CE2-CD2 3.6Å; F250-F305 HydrophobicContact CE2-CE2 4.03Å; F250-F305 HydrophobicContact CG-CB 4.22Å; F250-F305 AromaticContact CG-CD2 3.96Å; F250-F305 HydrophobicContact CG-CD2 3.96Å; F250-F305 HydrophobicContact CZ-CD2 4.06Å; A301-F305 VanDerWaalsContact O-CB 3.24Å; A301-F305 WeakPolarHBondContact O-CB 3.47Å; A301-F305 PolarHBondContact O-N 2.71Å; Q303-F305 VanDerWaalsContact C-N 3.28Å; Q303-F305 PolarHBondContact O-N 3.01Å; F305-F307 PolarHBondContact O-N 3.37Å; F305-Y308 PolarHBondContact O-N 2.94Å; F305-V309 HydrophobicContact CD2-CG2 4.09Å; F305-V309 HydrophobicContact CE2-CG2 3.75Å; F305-V309 HydrophobicContact CZ-CG2 4.04Å; F305-V309 WeakPolarHBondContact O-CG2 3.4Å; F305-V309 PolarHBondContact O-N 2.81Å |
| 306 | V | 93.3 | Very high | 91.5 | Very high | 22 Ų | 22 | 17.6 Ų | 17.6 | 13% | 0.133 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.1 | -36.2 | -175.3 | 78.8 | 0 | 0 | 0 | 0 | 112.5 | H117 F119 A302 Q303 A310 | H117-V306 HydrophobicContact CB-CB 3.63Å; H117-V306 HydrophobicContact CB-CG1 3.71Å; H117-V306 HydrophobicContact CB-CG2 4.21Å; F119-V306 HydrophobicContact CB-CG2 4.2Å; A302-V306 PolarHBondContact O-N 2.88Å; Q303-V306 WeakPolarHBondContact O-CG1 3.43Å; Q303-V306 PolarHBondContact O-N 3.2Å; V306-A310 WeakPolarHBondContact O-CB 3.46Å; V306-A310 PolarHBondContact O-N 3.06Å |
| 307 | F | 92.7 | Very high | 92 | Very high | 19 Ų | 19 | 13.4 Ų | 13.4 | 8% | 0.083 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -72.4 | -34.2 | 179.3 | -80.8 | -72.2 | 0 | 0 | 0 | 112.2 | L118 L133 F137 F271 Q303 F305 G311 I452 | L118-F307 HydrophobicContact CD2-CZ 4.5Å; L133-F307 HydrophobicContact CD1-CE2 3.79Å; L133-F307 HydrophobicContact CD1-CZ 4.02Å; L133-F307 HydrophobicContact CD2-CE2 4.26Å; F137-F307 HydrophobicContact CE1-CE1 4.25Å; F137-F307 HydrophobicContact CE2-CD1 4.3Å; F137-F307 AromaticContact CE2-CE1 3.4Å; F137-F307 HydrophobicContact CE2-CE1 3.4Å; F137-F307 AromaticContact CE2-CZ 3.7Å; F137-F307 HydrophobicContact CE2-CZ 3.7Å; F137-F307 AromaticContact CZ-CD1 3.67Å; F137-F307 HydrophobicContact CZ-CD1 3.67Å; F137-F307 AromaticContact CZ-CE1 3.17Å; F137-F307 HydrophobicContact CZ-CE1 3.17Å; F137-F307 AromaticContact CZ-CZ 3.93Å; F137-F307 HydrophobicContact CZ-CZ 3.93Å; F271-F307 HydrophobicContact CD1-CD2 4.45Å; F271-F307 HydrophobicContact CE1-CB 4.08Å; F271-F307 AromaticContact CE1-CD2 3.33Å; F271-F307 HydrophobicContact CE1-CD2 3.33Å; F271-F307 AromaticContact CE1-CE2 3.95Å; F271-F307 HydrophobicContact CE1-CE2 3.95Å; F271-F307 AromaticContact CE1-CG 3.81Å; F271-F307 HydrophobicContact CE1-CG 3.81Å; F271-F307 HydrophobicContact CE2-CD2 4.36Å; F271-F307 HydrophobicContact CE2-CE2 4.2Å; F271-F307 AromaticContact CZ-CD2 3.27Å; F271-F307 HydrophobicContact CZ-CD2 3.27Å; F271-F307 AromaticContact CZ-CE2 3.36Å; F271-F307 HydrophobicContact CZ-CE2 3.36Å; F271-F307 HydrophobicContact CZ-CG 4.03Å; F271-F307 HydrophobicContact CZ-CZ 4.14Å; Q303-F307 HydrophobicContact CB-CD2 4.32Å; Q303-F307 HydrophobicContact CB-CE2 4.42Å; Q303-F307 WeakPolarHBondContact O-CD2 3.03Å; Q303-F307 PolarHBondContact O-N 2.87Å; F305-F307 PolarHBondContact O-N 3.37Å; F307-G311 WeakPolarHBondContact O-CA 3.5Å; F307-G311 PolarHBondContact O-N 3.21Å; F307-I452 HydrophobicContact CE1-CG2 3.63Å; F307-I452 HydrophobicContact CZ-CG2 3.89Å |
| 308 | Y | 91.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.1 | -59.2 | 170.3 | 176.3 | -105.3 | 0 | 0 | 0 | 110.1 | T184 I187 F192 F206 F250 V304 F305 A310 G311 F312 | T184-Y308 HydrophobicContact CG2-CE2 4.13Å; I187-Y308 HydrophobicContact CG2-CD2 3.8Å; I187-Y308 HydrophobicContact CG2-CE2 4.08Å; F192-Y308 AromaticContact CE2-CD2 3.92Å; F192-Y308 HydrophobicContact CE2-CD2 3.92Å; F192-Y308 HydrophobicContact CE2-CG 4.3Å; F206-Y308 HydrophobicContact CD1-CD2 4.32Å; F206-Y308 AromaticContact CD1-CE2 3.82Å; F206-Y308 HydrophobicContact CD1-CE2 3.82Å; F206-Y308 PolarHBondContact O-OH 2.77Å; F250-Y308 AromaticContact CE1-CD1 3.8Å; F250-Y308 HydrophobicContact CE1-CD1 3.8Å; F250-Y308 HydrophobicContact CE1-CG 4.05Å; F250-Y308 AromaticContact CZ-CD1 3.41Å; F250-Y308 HydrophobicContact CZ-CD1 3.41Å; F250-Y308 VanDerWaalsContact CZ-CD1 3.41Å; F250-Y308 AromaticContact CZ-CE1 3.88Å; F250-Y308 HydrophobicContact CZ-CE1 3.88Å; F250-Y308 HydrophobicContact CZ-CG 4.14Å; V304-Y308 WeakPolarHBondContact O-CB 3.32Å; V304-Y308 PolarHBondContact O-N 3.14Å; F305-Y308 PolarHBondContact O-N 2.94Å; Y308-A310 PolarHBondContact O-N 2.95Å; Y308-G311 PolarHBondContact O-N 2.92Å; Y308-G311 VanDerWaalsContact O-N 3.12Å; Y308-F312 HydrophobicContact CD1-CD1 4Å; Y308-F312 AromaticContact CD1-CE1 3.96Å; Y308-F312 HydrophobicContact CD1-CE1 3.96Å; Y308-F312 AromaticContact CE1-CD1 3.7Å; Y308-F312 HydrophobicContact CE1-CD1 3.7Å; Y308-F312 AromaticContact CE1-CE1 3.55Å; Y308-F312 HydrophobicContact CE1-CE1 3.55Å; Y308-F312 HydrophobicContact CE2-CD1 4.21Å; Y308-F312 HydrophobicContact CG-CD1 4.41Å; Y308-F312 AromaticContact CZ-CD1 3.77Å; Y308-F312 WeakPolarHBondContact O-CD1 3.39Å; Y308-F312 PolarHBondContact O-N 3.19Å; Y308-F312 VanDerWaalsContact O-N 3.14Å |
| 309 | V | 91.1 | Very high | 92.9 | Very high | 15 Ų | 15 | 11.1 Ų | 11.1 | 9% | 0.091 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -59.5 | -46.8 | -175.5 | 173.6 | 0 | 0 | 0 | 0 | 112.3 | V213 F214 F305 G311 E313 | V213-V309 HydrophobicContact CB-CG2 4.38Å; V213-V309 HydrophobicContact CG1-CG1 4Å; V213-V309 HydrophobicContact CG1-CG2 4.15Å; V213-V309 HydrophobicContact CG2-CG2 3.98Å; F214-V309 HydrophobicContact CE1-CG1 4.2Å; F214-V309 HydrophobicContact CE2-CG1 3.59Å; F214-V309 HydrophobicContact CZ-CG1 3.28Å; F305-V309 HydrophobicContact CD2-CG2 4.09Å; F305-V309 HydrophobicContact CE2-CG2 3.75Å; F305-V309 HydrophobicContact CZ-CG2 4.04Å; F305-V309 WeakPolarHBondContact O-CG2 3.4Å; F305-V309 PolarHBondContact O-N 2.81Å; V309-G311 VanDerWaalsContact C-N 3.33Å; V309-G311 PolarHBondContact O-N 2.63Å; V309-E313 PolarHBondContact O-N 2.99Å |
| 310 | A | 91.8 | Very high | 93.3 | Very high | 49 Ų | 49 | 9.7 Ų | 9.7 | 41% | 0.405 | 6% | 0.063 | S | C | . | . | H | α-helix | trans | -67.8 | -34.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V306 Y308 T314 | V306-A310 WeakPolarHBondContact O-CB 3.46Å; V306-A310 PolarHBondContact O-N 3.06Å; Y308-A310 PolarHBondContact O-N 2.95Å; A310-T314 PolarHBondContact O-OG1 3.02Å |
| 311 | G | 88.2 | Confident | 93.7 | Very high | 8 Ų | 8 | 9.7 Ų | 9.7 | 8% | 0.082 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -72.9 | -35.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | F307 Y308 V309 S315 Q460 | F307-G311 WeakPolarHBondContact O-CA 3.5Å; F307-G311 PolarHBondContact O-N 3.21Å; Y308-G311 PolarHBondContact O-N 2.92Å; Y308-G311 VanDerWaalsContact O-N 3.12Å; V309-G311 VanDerWaalsContact C-N 3.33Å; V309-G311 PolarHBondContact O-N 2.63Å; G311-S315 PolarHBondContact O-OG 2.88Å; G311-Q460 PolarHBondContact O-NE2 2.9Å |
| 312 | F | 87.7 | Confident | 94 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -88.8 | -57.7 | -178.2 | 87.7 | -99.7 | 0 | 0 | 0 | 112.7 | T183 I187 G210 F214 Y308 T314 S316 | T183-F312 PolarHBondContact OG1-O 3.14Å; I187-F312 HydrophobicContact CG2-CB 4.35Å; G210-F312 WeakPolarHBondContact O-CZ 3.5Å; F214-F312 HydrophobicContact CD2-CZ 4.33Å; F214-F312 HydrophobicContact CE2-CE1 4.39Å; F214-F312 HydrophobicContact CE2-CE2 4.47Å; F214-F312 AromaticContact CE2-CZ 3.78Å; F214-F312 HydrophobicContact CE2-CZ 3.78Å; Y308-F312 HydrophobicContact CD1-CD1 4Å; Y308-F312 AromaticContact CD1-CE1 3.96Å; Y308-F312 HydrophobicContact CD1-CE1 3.96Å; Y308-F312 AromaticContact CE1-CD1 3.7Å; Y308-F312 HydrophobicContact CE1-CD1 3.7Å; Y308-F312 AromaticContact CE1-CE1 3.55Å; Y308-F312 HydrophobicContact CE1-CE1 3.55Å; Y308-F312 HydrophobicContact CE2-CD1 4.21Å; Y308-F312 HydrophobicContact CG-CD1 4.41Å; Y308-F312 AromaticContact CZ-CD1 3.77Å; Y308-F312 WeakPolarHBondContact O-CD1 3.39Å; Y308-F312 PolarHBondContact O-N 3.19Å; Y308-F312 VanDerWaalsContact O-N 3.14Å; F312-T314 PolarHBondContact O-N 3.15Å; F312-S316 VanDerWaalsContact O-CB 3.29Å; F312-S316 WeakPolarHBondContact O-CB 3.43Å; F312-S316 PolarHBondContact O-N 3.22Å; F312-S316 PolarHBondContact O-OG 3.49Å |
| 313 | E | 90.3 | Very high | 94.2 | Very high | 17 Ų | 17 | 9.7 Ų | 9.7 | 8% | 0.079 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -68.6 | -37.2 | -165.8 | -174.7 | 63.5 | -165.4 | 0 | 0 | 112.8 | F214 V309 S316 S317 V492 | F214-E313 HydrophobicContact CD2-CB 4.45Å; F214-E313 HydrophobicContact CD2-CG 4.15Å; F214-E313 HydrophobicContact CE1-CG 4.21Å; F214-E313 HydrophobicContact CE2-CB 3.56Å; F214-E313 HydrophobicContact CE2-CG 3.66Å; F214-E313 HydrophobicContact CZ-CB 3.6Å; F214-E313 HydrophobicContact CZ-CG 3.68Å; V309-E313 PolarHBondContact O-N 2.99Å; E313-S316 WeakPolarHBondContact CA-OG 3.4Å; E313-S316 PolarHBondContact O-OG 3.4Å; E313-S317 VanDerWaalsContact O-CB 3.3Å; E313-S317 WeakPolarHBondContact O-CB 3.21Å; E313-S317 PolarHBondContact O-N 3.07Å; E313-S317 VanDerWaalsContact O-N 3.13Å; E313-S317 PolarHBondContact O-OG 3.41Å; E313-V492 HydrophobicContact CG-CG2 4.4Å |
| 314 | T | 93.9 | Very high | 94.4 | Very high | 47 Ų | 47 | 10.1 Ų | 10.1 | 29% | 0.288 | 6% | 0.064 | S | C | . | . | H | α-helix | trans | -73.7 | -44.7 | -177.3 | 65.4 | 0 | 0 | 0 | 0 | 111.9 | A310 F312 T318 L375 | A310-T314 PolarHBondContact O-OG1 3.02Å; F312-T314 PolarHBondContact O-N 3.15Å; T314-T318 WeakPolarHBondContact O-CB 3.33Å; T314-T318 PolarHBondContact O-N 3.44Å; T314-T318 PolarHBondContact O-OG1 3.47Å; T314-L375 HydrophobicContact CG2-CD1 4.41Å; T314-L375 WeakPolarHBondContact O-CD1 3.36Å |
| 315 | S | 95.8 | Very high | 94.8 | Very high | 6 Ų | 6 | 11.1 Ų | 11.1 | 4% | 0.042 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -67.2 | -41 | 178.3 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | G311 T318 M319 Q460 | G311-S315 PolarHBondContact O-OG 2.88Å; S315-T318 PolarHBondContact O-N 3.05Å; S315-M319 WeakPolarHBondContact O-CE 3.32Å; S315-M319 PolarHBondContact O-N 3.32Å; S315-Q460 PolarHBondContact OG-NE2 3.03Å |
| 316 | S | 95.6 | Very high | 95 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.6 | -45.9 | 178.8 | 64.2 | 0 | 0 | 0 | 0 | 111.6 | F312 E313 T318 M319 S320 | F312-S316 VanDerWaalsContact O-CB 3.29Å; F312-S316 WeakPolarHBondContact O-CB 3.43Å; F312-S316 PolarHBondContact O-N 3.22Å; F312-S316 PolarHBondContact O-OG 3.49Å; E313-S316 WeakPolarHBondContact CA-OG 3.4Å; E313-S316 PolarHBondContact O-OG 3.4Å; S316-T318 PolarHBondContact O-N 2.8Å; S316-M319 PolarHBondContact O-N 3.49Å; S316-S320 WeakPolarHBondContact O-CB 3.42Å; S316-S320 PolarHBondContact O-N 2.98Å; S316-S320 PolarHBondContact O-OG 2.93Å |
| 317 | S | 96.1 | Very high | 95.3 | Very high | 2 Ų | 2 | 10 Ų | 10 | 1% | 0.014 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.9 | -44.5 | 176.8 | -62.1 | 0 | 0 | 0 | 0 | 111.4 | E313 M319 S320 Y321 | E313-S317 VanDerWaalsContact O-CB 3.3Å; E313-S317 WeakPolarHBondContact O-CB 3.21Å; E313-S317 PolarHBondContact O-N 3.07Å; E313-S317 VanDerWaalsContact O-N 3.13Å; E313-S317 PolarHBondContact O-OG 3.41Å; S317-M319 PolarHBondContact O-N 3.28Å; S317-S320 PolarHBondContact O-N 3.1Å; S317-Y321 WeakPolarHBondContact O-CD2 3.42Å; S317-Y321 PolarHBondContact O-N 3.47Å |
| 318 | T | 98 | Very high | 95.5 | Very high | 12 Ų | 12 | 12.3 Ų | 12.3 | 7% | 0.074 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -57.8 | -49.9 | 177.6 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | T314 S315 S316 S320 Y321 C322 I366 L370 L375 | T314-T318 WeakPolarHBondContact O-CB 3.33Å; T314-T318 PolarHBondContact O-N 3.44Å; T314-T318 PolarHBondContact O-OG1 3.47Å; S315-T318 PolarHBondContact O-N 3.05Å; S316-T318 PolarHBondContact O-N 2.8Å; T318-S320 VanDerWaalsContact C-N 3.32Å; T318-S320 PolarHBondContact O-N 3.27Å; T318-Y321 PolarHBondContact O-N 2.95Å; T318-C322 WeakPolarHBondContact O-CB 3.37Å; T318-C322 PolarHBondContact O-N 2.91Å; T318-I366 HydrophobicContact CG2-CG2 4.47Å; T318-L370 HydrophobicContact CG2-CD2 3.72Å; T318-L370 HydrophobicContact CG2-CG 3.96Å; T318-L375 WeakPolarHBondContact OG1-CD1 3.45Å |
| 319 | M | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.9 | -36.8 | 178.8 | -67.8 | -176 | -74.6 | 0 | 0 | 111.9 | M179 F182 T183 S315 S316 S317 C322 L323 A461 L465 | M179-M319 HydrophobicContact CB-CE 4.4Å; M179-M319 HydrophobicContact CG-CB 3.97Å; M179-M319 HydrophobicContact SD-CB 3.39Å; M179-M319 WeakPolarHBondContact SD-CB 3.34Å; M179-M319 HydrophobicContact SD-CE 3.76Å; M179-M319 HydrophobicContact SD-CG 4.19Å; M179-M319 HydrophobicContact SD-SD 3.73Å; F182-M319 HydrophobicContact CD1-CE 3.77Å; F182-M319 HydrophobicContact CD1-SD 4.28Å; F182-M319 HydrophobicContact CE1-CE 4.1Å; F182-M319 HydrophobicContact CE1-SD 4.21Å; T183-M319 HydrophobicContact CG2-CE 3.23Å; S315-M319 WeakPolarHBondContact O-CE 3.32Å; S315-M319 PolarHBondContact O-N 3.32Å; S316-M319 PolarHBondContact O-N 3.49Å; S317-M319 PolarHBondContact O-N 3.28Å; M319-C322 WeakPolarHBondContact O-CB 3.46Å; M319-C322 PolarHBondContact O-N 3.49Å; M319-L323 VanDerWaalsContact O-CG 3.28Å; M319-L323 WeakPolarHBondContact O-CG 3.42Å; M319-L323 PolarHBondContact O-N 2.93Å; M319-A461 HydrophobicContact CG-CB 3.99Å; M319-A461 HydrophobicContact SD-CB 4.48Å; M319-L465 HydrophobicContact CB-CD2 4.2Å; M319-L465 HydrophobicContact CB-CG 4.36Å; M319-L465 HydrophobicContact CG-CD1 4.26Å; M319-L465 HydrophobicContact CG-CD2 4.37Å; M319-L465 HydrophobicContact CG-CG 3.98Å |
| 320 | S | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.3 | -43.6 | 178.9 | -52.3 | 0 | 0 | 0 | 0 | 112 | K176 M179 S316 S317 T318 L323 Y324 | K176-S320 WeakPolarHBondContact CA-OG 3.36Å; M179-S320 WeakPolarHBondContact CG-OG 3.48Å; S316-S320 WeakPolarHBondContact O-CB 3.42Å; S316-S320 PolarHBondContact O-N 2.98Å; S316-S320 PolarHBondContact O-OG 2.93Å; S317-S320 PolarHBondContact O-N 3.1Å; T318-S320 VanDerWaalsContact C-N 3.32Å; T318-S320 PolarHBondContact O-N 3.27Å; S320-L323 PolarHBondContact O-N 3.26Å; S320-Y324 WeakPolarHBondContact O-CB 3.26Å; S320-Y324 PolarHBondContact O-N 3.41Å |
| 321 | Y | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 0% | 0.004 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.2 | -38 | 175.1 | -64.2 | -44.9 | 0 | 0 | 0 | 112.2 | S317 T318 Y324 E325 Y373 L375 L484 Y486 L493 T495 I499 | S317-Y321 WeakPolarHBondContact O-CD2 3.42Å; S317-Y321 PolarHBondContact O-N 3.47Å; T318-Y321 PolarHBondContact O-N 2.95Å; Y321-Y324 WeakPolarHBondContact O-CB 3.25Å; Y321-Y324 PolarHBondContact O-N 3.33Å; Y321-E325 PolarHBondContact O-N 3.32Å; Y321-Y373 AromaticContact CD1-CD1 3.58Å; Y321-Y373 HydrophobicContact CD1-CD1 3.58Å; Y321-Y373 AromaticContact CD1-CE1 3.68Å; Y321-Y373 HydrophobicContact CD1-CE1 3.68Å; Y321-Y373 HydrophobicContact CD1-CG 4.19Å; Y321-Y373 AromaticContact CD2-CD1 3.81Å; Y321-Y373 HydrophobicContact CD2-CD1 3.81Å; Y321-Y373 AromaticContact CD2-CG 3.79Å; Y321-Y373 HydrophobicContact CD2-CG 3.79Å; Y321-Y373 HydrophobicContact CE1-CD1 4Å; Y321-Y373 HydrophobicContact CE1-CE1 4.23Å; Y321-Y373 HydrophobicContact CE2-CD1 4.2Å; Y321-Y373 HydrophobicContact CE2-CG 4.5Å; Y321-Y373 AromaticContact CG-CD1 3.49Å; Y321-Y373 HydrophobicContact CG-CD1 3.49Å; Y321-Y373 VanDerWaalsContact CG-CD1 3.49Å; Y321-Y373 HydrophobicContact CG-CD2 4.23Å; Y321-Y373 AromaticContact CG-CE1 3.95Å; Y321-Y373 HydrophobicContact CG-CE1 3.95Å; Y321-Y373 AromaticContact CG-CG 3.62Å; Y321-Y373 HydrophobicContact CG-CG 3.62Å; Y321-L375 HydrophobicContact CD2-CD2 4.06Å; Y321-L375 HydrophobicContact CE2-CD2 3.6Å; Y321-L484 HydrophobicContact CD1-CD1 3.86Å; Y321-L484 HydrophobicContact CE1-CD1 3.84Å; Y321-Y486 HydrophobicContact CE1-CE1 4.07Å; Y321-L493 PolarHBondContact OH-O 3.44Å; Y321-T495 HydrophobicContact CE1-CG2 3.85Å; Y321-I499 HydrophobicContact CD1-CD1 3.84Å; Y321-I499 HydrophobicContact CE1-CD1 3.87Å |
| 322 | C | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.7 | -49 | 173.8 | -179.4 | 0 | 0 | 0 | 0 | 111 | T318 M319 Y324 E325 L326 V365 T369 L465 | T318-C322 WeakPolarHBondContact O-CB 3.37Å; T318-C322 PolarHBondContact O-N 2.91Å; M319-C322 WeakPolarHBondContact O-CB 3.46Å; M319-C322 PolarHBondContact O-N 3.49Å; C322-Y324 VanDerWaalsContact C-N 3.32Å; C322-Y324 PolarHBondContact O-N 2.93Å; C322-E325 PolarHBondContact O-N 3.16Å; C322-L326 WeakPolarHBondContact O-CB 3.48Å; C322-L326 VanDerWaalsContact O-CG 3.27Å; C322-L326 WeakPolarHBondContact O-CG 3.36Å; C322-L326 PolarHBondContact O-N 3.41Å; C322-V365 VanDerWaalsContact SG-CG1 3.6Å; C322-T369 HydrophobicContact CB-CG2 3.92Å; C322-L465 HydrophobicContact CB-CD1 4.09Å; C322-L465 HydrophobicContact CB-CD2 4.03Å |
| 323 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.4 | -36 | 177.6 | -68 | 169.3 | 0 | 0 | 0 | 112.3 | I175 M179 M319 S320 L326 A327 L465 I468 I469 V474 L501 | I175-L323 HydrophobicContact CG2-CB 4.22Å; I175-L323 HydrophobicContact CG2-CD1 3.52Å; M179-L323 HydrophobicContact CE-CD1 4.44Å; M179-L323 HydrophobicContact SD-CD1 4.16Å; M319-L323 VanDerWaalsContact O-CG 3.28Å; M319-L323 WeakPolarHBondContact O-CG 3.42Å; M319-L323 PolarHBondContact O-N 2.93Å; S320-L323 PolarHBondContact O-N 3.26Å; L323-L326 PolarHBondContact O-N 3.06Å; L323-A327 VanDerWaalsContact O-CB 3.25Å; L323-A327 WeakPolarHBondContact O-CB 3.47Å; L323-A327 PolarHBondContact O-N 2.99Å; L323-L465 HydrophobicContact CD1-CD2 4.42Å; L323-L465 HydrophobicContact CD2-CD2 3.85Å; L323-L465 HydrophobicContact CG-CD2 3.79Å; L323-I468 HydrophobicContact CD1-CD1 3.69Å; L323-I468 HydrophobicContact CD2-CD1 4.38Å; L323-I468 HydrophobicContact CD2-CG2 3.99Å; L323-I469 HydrophobicContact CD2-CD1 3.92Å; L323-V474 HydrophobicContact CD2-CG2 4.29Å; L323-L501 HydrophobicContact CB-CD1 4.04Å; L323-L501 WeakPolarHBondContact O-CD1 3.24Å |
| 324 | Y | 98.7 | Very high | 97.9 | Very high | 8 Ų | 8 | 21 Ų | 21 | 3% | 0.031 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.9 | -43 | 173.9 | 171 | -94.6 | 0 | 0 | 0 | 112.2 | S320 Y321 C322 A327 Q328 Y373 T480 E481 I482 L484 I499 | S320-Y324 WeakPolarHBondContact O-CB 3.26Å; S320-Y324 PolarHBondContact O-N 3.41Å; Y321-Y324 WeakPolarHBondContact O-CB 3.25Å; Y321-Y324 PolarHBondContact O-N 3.33Å; C322-Y324 VanDerWaalsContact C-N 3.32Å; C322-Y324 PolarHBondContact O-N 2.93Å; Y324-A327 PolarHBondContact O-N 3.35Å; Y324-Q328 VanDerWaalsContact CD1-NE2 3.34Å; Y324-Q328 PolarHBondContact O-N 3.03Å; Y324-Q328 PolarHBondContact O-NE2 3.17Å; Y324-Q328 PolarHBondContact OH-OE1 3.24Å; Y324-Y373 WeakPolarHBondContact CD1-OH 3.27Å; Y324-Y373 VanDerWaalsContact CE1-OH 3.22Å; Y324-Y373 WeakPolarHBondContact CE1-OH 3.4Å; Y324-T480 HydrophobicContact CD2-CG2 4.27Å; Y324-T480 HydrophobicContact CE2-CG2 4.05Å; Y324-E481 WeakPolarHBondContact CE2-O 3.48Å; Y324-E481 PolarHBondContact OH-O 3.3Å; Y324-I482 HydrophobicContact CE2-CG1 4.14Å; Y324-L484 HydrophobicContact CD1-CD1 3.86Å; Y324-L484 HydrophobicContact CD1-CG 4.4Å; Y324-L484 HydrophobicContact CD2-CD1 4.07Å; Y324-L484 HydrophobicContact CD2-CD2 4.09Å; Y324-L484 HydrophobicContact CD2-CG 4.11Å; Y324-L484 HydrophobicContact CE1-CD1 3.88Å; Y324-L484 HydrophobicContact CE1-CG 4Å; Y324-L484 HydrophobicContact CE2-CD1 4.08Å; Y324-L484 HydrophobicContact CE2-CD2 3.8Å; Y324-L484 HydrophobicContact CE2-CG 3.67Å; Y324-L484 HydrophobicContact CG-CD1 3.96Å; Y324-L484 HydrophobicContact CG-CG 4.46Å; Y324-I499 HydrophobicContact CD2-CG2 4.22Å |
| 325 | E | 98.7 | Very high | 98.2 | Very high | 22 Ų | 22 | 24.5 Ų | 24.5 | 10% | 0.103 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.4 | -44.6 | 175.8 | -71.6 | -69.8 | -172.3 | 0 | 0 | 112 | Y321 C322 A327 Q328 N329 Y373 F423 | Y321-E325 PolarHBondContact O-N 3.32Å; C322-E325 PolarHBondContact O-N 3.16Å; E325-A327 PolarHBondContact O-N 3.22Å; E325-Q328 PolarHBondContact O-N 2.98Å; E325-Q328 VanDerWaalsContact O-N 3.11Å; E325-N329 PolarHBondContact O-N 3.4Å; E325-N329 PolarHBondContact O-ND2 3.01Å; E325-N329 PolarHBondContact OE2-ND2 3.22Å; E325-Y373 HydrophobicContact CG-CE2 3.58Å; E325-Y373 VanDerWaalsContact OE1-CE2 3.28Å; E325-Y373 WeakPolarHBondContact OE1-CE2 3.16Å; E325-Y373 PolarHBondContact OE1-OH 3.42Å; E325-F423 HydrophobicContact CB-CD1 4.18Å; E325-F423 HydrophobicContact CB-CD2 3.7Å; E325-F423 HydrophobicContact CB-CE1 4.15Å; E325-F423 HydrophobicContact CB-CE2 3.72Å; E325-F423 HydrophobicContact CB-CG 3.98Å; E325-F423 HydrophobicContact CB-CZ 3.95Å; E325-F423 HydrophobicContact CG-CD2 3.49Å; E325-F423 VanDerWaalsContact CG-CD2 3.49Å; E325-F423 HydrophobicContact CG-CE2 3.77Å; E325-F423 HydrophobicContact CG-CG 4.07Å; E325-F423 HydrophobicContact CG-CZ 4.5Å |
| 326 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62 | -32 | 176.5 | -68.9 | 176.7 | 0 | 0 | 0 | 112.4 | C322 L323 Q328 N329 Q330 I332 Q333 L336 V365 I469 | C322-L326 WeakPolarHBondContact O-CB 3.48Å; C322-L326 VanDerWaalsContact O-CG 3.27Å; C322-L326 WeakPolarHBondContact O-CG 3.36Å; C322-L326 PolarHBondContact O-N 3.41Å; L323-L326 PolarHBondContact O-N 3.06Å; L326-Q328 VanDerWaalsContact C-N 3.28Å; L326-Q328 PolarHBondContact O-N 3.37Å; L326-N329 CarbonylContact O-C 3.01Å; L326-N329 PolarHBondContact O-N 3.2Å; L326-Q330 PolarHBondContact O-NE2 3.12Å; L326-I332 HydrophobicContact CD2-CB 4.43Å; L326-I332 HydrophobicContact CD2-CG2 3.78Å; L326-Q333 HydrophobicContact CB-CB 4.23Å; L326-Q333 HydrophobicContact CB-CG 4.21Å; L326-Q333 HydrophobicContact CD2-CB 4.23Å; L326-Q333 PolarHBondContact O-NE2 2.93Å; L326-L336 HydrophobicContact CD1-CD2 3.75Å; L326-L336 HydrophobicContact CD2-CD2 4.23Å; L326-V365 HydrophobicContact CD1-CG1 4.36Å; L326-V365 HydrophobicContact CD2-CG1 3.97Å; L326-V365 HydrophobicContact CG-CG1 4.32Å; L326-I469 HydrophobicContact CD1-CD1 3.83Å; L326-I469 HydrophobicContact CD1-CG1 4.09Å |
| 327 | A | 98.5 | Very high | 98.4 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 3% | 0.033 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.2 | -31.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | L323 Y324 E325 Q330 V474 V476 L501 | L323-A327 VanDerWaalsContact O-CB 3.25Å; L323-A327 WeakPolarHBondContact O-CB 3.47Å; L323-A327 PolarHBondContact O-N 2.99Å; Y324-A327 PolarHBondContact O-N 3.35Å; E325-A327 PolarHBondContact O-N 3.22Å; A327-Q330 PolarHBondContact O-NE2 2.67Å; A327-V474 WeakPolarHBondContact CA-O 3.45Å; A327-V474 HydrophobicContact CB-CG1 4.13Å; A327-V476 HydrophobicContact CB-CG1 4.2Å; A327-L501 HydrophobicContact CB-CD1 4.02Å; A327-L501 HydrophobicContact CB-CD2 3.77Å; A327-L501 HydrophobicContact CB-CG 4.47Å |
| 328 | Q | 98.2 | Very high | 98.5 | Very high | 68 Ų | 68 | 29.1 Ų | 29.1 | 32% | 0.318 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -87.7 | -22.8 | 176.9 | -67.7 | 168.6 | 101.4 | 0 | 0 | 112.6 | Y324 E325 L326 V476 I482 | Y324-Q328 VanDerWaalsContact CD1-NE2 3.34Å; Y324-Q328 PolarHBondContact O-N 3.03Å; Y324-Q328 PolarHBondContact O-NE2 3.17Å; Y324-Q328 PolarHBondContact OH-OE1 3.24Å; E325-Q328 PolarHBondContact O-N 2.98Å; E325-Q328 VanDerWaalsContact O-N 3.11Å; L326-Q328 VanDerWaalsContact C-N 3.28Å; L326-Q328 PolarHBondContact O-N 3.37Å; Q328-V476 HydrophobicContact CG-CG1 3.61Å; Q328-I482 HydrophobicContact CG-CD1 4.22Å |
| 329 | N | 98.5 | Very high | 98.5 | Very high | 43 Ų | 43 | 30.5 Ų | 30.5 | 23% | 0.23 | 15% | 0.147 | C | C | . | . | trans | -118.3 | 76.5 | -177.1 | -58.7 | -82.9 | 0 | 0 | 0 | 110.7 | E325 L326 D331 I332 Q333 | E325-N329 PolarHBondContact O-N 3.4Å; E325-N329 PolarHBondContact O-ND2 3.01Å; E325-N329 PolarHBondContact OE2-ND2 3.22Å; L326-N329 CarbonylContact O-C 3.01Å; L326-N329 PolarHBondContact O-N 3.2Å; N329-D331 VanDerWaalsContact C-N 3.29Å; N329-D331 PolarHBondContact O-N 2.99Å; N329-I332 HydrophobicContact CB-CB 4.12Å; N329-I332 HydrophobicContact CB-CD1 3.82Å; N329-I332 HydrophobicContact CB-CG1 4.1Å; N329-I332 PolarHBondContact O-N 2.85Å; N329-Q333 PolarHBondContact O-N 3.35Å | ||
| 330 | Q | 98.3 | Very high | 98.5 | Very high | 50 Ų | 50 | 30.5 Ų | 30.5 | 23% | 0.234 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.6 | -31.2 | -174 | -67.3 | -64 | -57.2 | 0 | 0 | 113.3 | L326 A327 Q333 D334 V474 | L326-Q330 PolarHBondContact O-NE2 3.12Å; A327-Q330 PolarHBondContact O-NE2 2.67Å; Q330-Q333 PolarHBondContact O-N 3.24Å; Q330-D334 WeakPolarHBondContact O-CB 3.49Å; Q330-D334 PolarHBondContact O-N 3.24Å; Q330-V474 PolarHBondContact NE2-O 2.85Å |
| 331 | D | 98.5 | Very high | 98.4 | Very high | 114 Ų | 114 | 33.9 Ų | 33.9 | 61% | 0.61 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -63.2 | -43.3 | 174.7 | 62.4 | -54.5 | 0 | 0 | 0 | 111.9 | N329 D334 R335 | N329-D331 VanDerWaalsContact C-N 3.29Å; N329-D331 PolarHBondContact O-N 2.99Å; D331-D334 PolarHBondContact O-N 3.02Å; D331-R335 WeakPolarHBondContact O-CB 3.47Å; D331-R335 PolarHBondContact O-N 3.07Å |
| 332 | I | 98.8 | Very high | 98.3 | Very high | 13 Ų | 13 | 37 Ų | 37 | 7% | 0.067 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.1 | -41.6 | 174.6 | -62 | 177.7 | 0 | 0 | 0 | 110.1 | L326 N329 R335 L336 Y361 V365 F423 P425 | L326-I332 HydrophobicContact CD2-CB 4.43Å; L326-I332 HydrophobicContact CD2-CG2 3.78Å; N329-I332 HydrophobicContact CB-CB 4.12Å; N329-I332 HydrophobicContact CB-CD1 3.82Å; N329-I332 HydrophobicContact CB-CG1 4.1Å; N329-I332 PolarHBondContact O-N 2.85Å; I332-R335 PolarHBondContact O-N 3.16Å; I332-L336 VanDerWaalsContact O-CB 3.29Å; I332-L336 WeakPolarHBondContact O-CB 3.39Å; I332-L336 PolarHBondContact O-N 3.41Å; I332-Y361 HydrophobicContact CG2-CE1 4.1Å; I332-V365 HydrophobicContact CG2-CG2 4.1Å; I332-F423 HydrophobicContact CD1-CD1 3.74Å; I332-F423 HydrophobicContact CD1-CE1 4.15Å; I332-F423 HydrophobicContact CG2-CE1 4.21Å; I332-P425 HydrophobicContact CD1-CG 4.21Å; I332-P425 HydrophobicContact CG2-CG 3.89Å |
| 333 | Q | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.8 | -44 | 177 | -166.8 | -175.9 | 135.5 | 0 | 0 | 112.4 | L326 N329 Q330 L336 R337 I469 V474 | L326-Q333 HydrophobicContact CB-CB 4.23Å; L326-Q333 HydrophobicContact CB-CG 4.21Å; L326-Q333 HydrophobicContact CD2-CB 4.23Å; L326-Q333 PolarHBondContact O-NE2 2.93Å; N329-Q333 PolarHBondContact O-N 3.35Å; Q330-Q333 PolarHBondContact O-N 3.24Å; Q333-L336 PolarHBondContact O-N 3.39Å; Q333-R337 WeakPolarHBondContact O-CB 3.32Å; Q333-R337 PolarHBondContact O-N 3.42Å; Q333-I469 HydrophobicContact CG-CD1 4.06Å; Q333-I469 HydrophobicContact CG-CG2 4.49Å; Q333-V474 PolarHBondContact NE2-O 3.38Å |
| 334 | D | 98.6 | Very high | 97.9 | Very high | 51 Ų | 51 | 38.6 Ų | 38.6 | 27% | 0.273 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66.9 | -41.2 | 179.4 | -71.2 | -19.5 | 0 | 0 | 0 | 110.8 | Q330 D331 R337 N338 R473 | Q330-D334 WeakPolarHBondContact O-CB 3.49Å; Q330-D334 PolarHBondContact O-N 3.24Å; D331-D334 PolarHBondContact O-N 3.02Å; D334-R337 PolarHBondContact O-N 3.27Å; D334-R337 IonicContact OD1-CZ 3.68Å; D334-R337 IonicContact OD1-NH1 2.76Å; D334-R337 PolarHBondContact OD1-NH1 3.49Å; D334-N338 PolarHBondContact O-N 3.3Å; D334-N338 PolarHBondContact O-ND2 3Å; D334-N338 PolarHBondContact O-OD1 2.96Å; D334-R473 IonicContact OD1-CZ 3.43Å; D334-R473 IonicContact OD1-NH1 2.73Å; D334-R473 PolarHBondContact OD1-NH1 3.14Å; D334-R473 VanDerWaalsContact OD1-NH1 3.11Å; D334-R473 IonicContact OD1-NH2 2.74Å; D334-R473 PolarHBondContact OD1-NH2 3.07Å; D334-R473 VanDerWaalsContact OD1-NH2 3.07Å; D334-R473 IonicContact OD2-NH1 3.29Å; D334-R473 IonicContact OD2-NH2 3.12Å |
| 335 | R | 98.5 | Very high | 97.6 | Very high | 120 Ų | 120 | 45.2 Ų | 45.2 | 45% | 0.453 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.3 | -44.9 | 172.6 | -180 | 174.5 | 171.5 | -162.6 | -6.1 | 112.5 | D331 I332 R337 N338 E339 Y361 E426 | D331-R335 WeakPolarHBondContact O-CB 3.47Å; D331-R335 PolarHBondContact O-N 3.07Å; I332-R335 PolarHBondContact O-N 3.16Å; R335-R337 VanDerWaalsContact C-N 3.32Å; R335-R337 PolarHBondContact O-N 3.21Å; R335-N338 PolarHBondContact O-N 3.28Å; R335-E339 PolarHBondContact O-N 3.47Å; R335-E339 VanDerWaalsContact O-N 3.11Å; R335-Y361 HydrophobicContact CB-CE1 4.03Å; R335-Y361 HydrophobicContact CG-CD1 4.04Å; R335-Y361 HydrophobicContact CG-CE1 3.73Å; R335-Y361 PolarHBondContact NH1-OH 2.83Å; R335-E426 IonicContact CZ-OE1 3.19Å; R335-E426 IonicContact NH1-OE1 3.11Å; R335-E426 PolarHBondContact NH1-OE1 3.47Å; R335-E426 IonicContact NH2-OE1 3.62Å; R335-E426 PolarHBondContact NH2-OE1 3.06Å |
| 336 | L | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61 | -43 | 176.5 | 175.7 | 60.8 | 0 | 0 | 0 | 111.5 | L326 I332 Q333 N338 E339 I340 Y361 L362 V365 I469 | L326-L336 HydrophobicContact CD1-CD2 3.75Å; L326-L336 HydrophobicContact CD2-CD2 4.23Å; I332-L336 VanDerWaalsContact O-CB 3.29Å; I332-L336 WeakPolarHBondContact O-CB 3.39Å; I332-L336 PolarHBondContact O-N 3.41Å; Q333-L336 PolarHBondContact O-N 3.39Å; L336-N338 VanDerWaalsContact C-N 3.35Å; L336-N338 PolarHBondContact O-N 2.82Å; L336-E339 PolarHBondContact O-N 3.47Å; L336-I340 HydrophobicContact CD1-CD1 3.92Å; L336-I340 HydrophobicContact CD1-CG1 4.28Å; L336-I340 HydrophobicContact CG-CD1 3.79Å; L336-I340 WeakPolarHBondContact O-CD1 3.47Å; L336-I340 VanDerWaalsContact O-CG1 3.3Å; L336-I340 WeakPolarHBondContact O-CG1 3.48Å; L336-I340 PolarHBondContact O-N 2.96Å; L336-Y361 HydrophobicContact CB-CD1 4.02Å; L336-Y361 HydrophobicContact CB-CE1 4.27Å; L336-Y361 HydrophobicContact CD1-CD1 4.23Å; L336-L362 VanDerWaalsContact CD1-CA 3.45Å; L336-L362 HydrophobicContact CD1-CB 3.72Å; L336-L362 HydrophobicContact CD1-CD1 4Å; L336-L362 HydrophobicContact CD1-CG 4.45Å; L336-L362 HydrophobicContact CD2-CD1 4.27Å; L336-V365 HydrophobicContact CD2-CG1 4.24Å; L336-V365 HydrophobicContact CD2-CG2 4.34Å; L336-I469 HydrophobicContact CD2-CG1 4.27Å; L336-I469 HydrophobicContact CD2-CG2 4.27Å; L336-I469 HydrophobicContact CG-CG2 4.17Å |
| 337 | R | 98.3 | Very high | 96.8 | Very high | 12 Ų | 12 | 54 Ų | 54 | 5% | 0.045 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.5 | -45 | 176.1 | -177.3 | 177.8 | -59.1 | 102.5 | -0.7 | 111.9 | Q333 D334 R335 E339 I340 Q341 I469 F472 I506 | Q333-R337 WeakPolarHBondContact O-CB 3.32Å; Q333-R337 PolarHBondContact O-N 3.42Å; D334-R337 PolarHBondContact O-N 3.27Å; D334-R337 IonicContact OD1-CZ 3.68Å; D334-R337 IonicContact OD1-NH1 2.76Å; D334-R337 PolarHBondContact OD1-NH1 3.49Å; R335-R337 VanDerWaalsContact C-N 3.32Å; R335-R337 PolarHBondContact O-N 3.21Å; R337-E339 VanDerWaalsContact C-N 3.34Å; R337-E339 PolarHBondContact O-N 3.21Å; R337-I340 PolarHBondContact O-N 3.4Å; R337-Q341 HydrophobicContact CG-CG 4.26Å; R337-Q341 WeakPolarHBondContact O-CB 3.42Å; R337-Q341 WeakPolarHBondContact O-CG 3.43Å; R337-Q341 PolarHBondContact O-N 3.04Å; R337-I469 HydrophobicContact CB-CG2 3.86Å; R337-I469 WeakPolarHBondContact CG-O 3.42Å; R337-I469 PolarHBondContact NE-O 3.09Å; R337-F472 PolarHBondContact NH2-O 3.17Å; R337-F472 VanDerWaalsContact NH2-O 3.15Å; R337-I506 VanDerWaalsContact CD-CD1 3.5Å |
| 338 | N | 98.2 | Very high | 96.3 | Very high | 93 Ų | 93 | 62.2 Ų | 62.2 | 50% | 0.497 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59 | -45.7 | 178 | -68 | -16.5 | 0 | 0 | 0 | 111 | D334 R335 L336 I340 Q341 T342 | D334-N338 PolarHBondContact O-N 3.3Å; D334-N338 PolarHBondContact O-ND2 3Å; D334-N338 PolarHBondContact O-OD1 2.96Å; R335-N338 PolarHBondContact O-N 3.28Å; L336-N338 VanDerWaalsContact C-N 3.35Å; L336-N338 PolarHBondContact O-N 2.82Å; N338-I340 PolarHBondContact O-N 3.03Å; N338-Q341 PolarHBondContact O-N 3.36Å; N338-T342 WeakPolarHBondContact O-CB 3.49Å; N338-T342 PolarHBondContact O-N 2.73Å; N338-T342 PolarHBondContact O-OG1 2.88Å; N338-T342 VanDerWaalsContact O-OG1 3.05Å |
| 339 | E | 98.2 | Very high | 95.5 | Very high | 42 Ų | 42 | 61.4 Ų | 61.4 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.4 | -49.3 | 174 | 179 | -175.5 | -114.7 | 0 | 0 | 111.5 | R335 L336 R337 Q341 T342 V343 T360 Y361 L362 | R335-E339 PolarHBondContact O-N 3.47Å; R335-E339 VanDerWaalsContact O-N 3.11Å; L336-E339 PolarHBondContact O-N 3.47Å; R337-E339 VanDerWaalsContact C-N 3.34Å; R337-E339 PolarHBondContact O-N 3.21Å; E339-Q341 VanDerWaalsContact C-N 3.34Å; E339-Q341 PolarHBondContact O-N 2.93Å; E339-T342 PolarHBondContact O-N 3.46Å; E339-V343 HydrophobicContact CG-CG2 4.36Å; E339-V343 WeakPolarHBondContact O-CB 3.26Å; E339-V343 WeakPolarHBondContact O-CG2 3.44Å; E339-V343 PolarHBondContact O-N 3.16Å; E339-T360 PolarHBondContact OE1-N 3.36Å; E339-T360 PolarHBondContact OE2-N 3.44Å; E339-Y361 VanDerWaalsContact CD-CB 3.44Å; E339-Y361 VanDerWaalsContact CD-N 3.26Å; E339-Y361 WeakPolarHBondContact OE1-CB 3.43Å; E339-Y361 PolarHBondContact OE1-N 2.84Å; E339-Y361 WeakPolarHBondContact OE2-CA 3.48Å; E339-Y361 VanDerWaalsContact OE2-CB 3.28Å; E339-Y361 WeakPolarHBondContact OE2-CB 3.5Å; E339-Y361 PolarHBondContact OE2-N 2.84Å; E339-L362 PolarHBondContact OE2-N 2.85Å |
| 340 | I | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.5 | -44 | -177.7 | -66.7 | 160.2 | 0 | 0 | 0 | 110.6 | L336 R337 N338 V343 L344 M359 A466 I469 | L336-I340 HydrophobicContact CD1-CD1 3.92Å; L336-I340 HydrophobicContact CD1-CG1 4.28Å; L336-I340 HydrophobicContact CG-CD1 3.79Å; L336-I340 WeakPolarHBondContact O-CD1 3.47Å; L336-I340 VanDerWaalsContact O-CG1 3.3Å; L336-I340 WeakPolarHBondContact O-CG1 3.48Å; L336-I340 PolarHBondContact O-N 2.96Å; R337-I340 PolarHBondContact O-N 3.4Å; N338-I340 PolarHBondContact O-N 3.03Å; I340-V343 PolarHBondContact O-N 2.81Å; I340-L344 HydrophobicContact CG2-CD1 3.79Å; I340-L344 HydrophobicContact CG2-CG 4.3Å; I340-L344 WeakPolarHBondContact O-CB 3.47Å; I340-L344 WeakPolarHBondContact O-CG 3.48Å; I340-L344 PolarHBondContact O-N 2.85Å; I340-M359 HydrophobicContact CG1-SD 4.09Å; I340-M359 HydrophobicContact CG2-CE 4.04Å; I340-A466 HydrophobicContact CD1-CB 4.45Å; I340-A466 HydrophobicContact CG2-CB 4.39Å; I340-I469 HydrophobicContact CD1-CB 3.94Å; I340-I469 HydrophobicContact CD1-CG2 3.88Å |
| 341 | Q | 95.9 | Very high | 94.5 | Very high | 70 Ų | 70 | 63.7 Ų | 63.7 | 33% | 0.327 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.9 | -47.5 | 179.4 | -74.8 | 178.8 | -16.3 | 0 | 0 | 111.5 | R337 N338 E339 V343 L344 E345 | R337-Q341 HydrophobicContact CG-CG 4.26Å; R337-Q341 WeakPolarHBondContact O-CB 3.42Å; R337-Q341 WeakPolarHBondContact O-CG 3.43Å; R337-Q341 PolarHBondContact O-N 3.04Å; N338-Q341 PolarHBondContact O-N 3.36Å; E339-Q341 VanDerWaalsContact C-N 3.34Å; E339-Q341 PolarHBondContact O-N 2.93Å; Q341-V343 PolarHBondContact O-N 2.92Å; Q341-L344 PolarHBondContact O-N 3.45Å; Q341-E345 WeakPolarHBondContact O-CG 3.41Å; Q341-E345 PolarHBondContact O-N 2.8Å |
| 342 | T | 96.6 | Very high | 94.2 | Very high | 68 Ų | 68 | 60.2 Ų | 60.2 | 42% | 0.417 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.4 | -47.3 | 176.8 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | N338 E339 L344 E345 E346 | N338-T342 WeakPolarHBondContact O-CB 3.49Å; N338-T342 PolarHBondContact O-N 2.73Å; N338-T342 PolarHBondContact O-OG1 2.88Å; N338-T342 VanDerWaalsContact O-OG1 3.05Å; E339-T342 PolarHBondContact O-N 3.46Å; T342-L344 VanDerWaalsContact C-N 3.3Å; T342-L344 PolarHBondContact O-N 3.04Å; T342-E345 PolarHBondContact O-N 2.87Å; T342-E346 WeakPolarHBondContact O-CG 3.49Å; T342-E346 PolarHBondContact O-N 3.17Å |
| 343 | V | 96.1 | Very high | 93.7 | Very high | 12 Ų | 12 | 62.6 Ų | 62.6 | 7% | 0.073 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.7 | -35.4 | 178.9 | 171.3 | 0 | 0 | 0 | 0 | 111.8 | E339 I340 Q341 Q347 S355 A358 M359 | E339-V343 HydrophobicContact CG-CG2 4.36Å; E339-V343 WeakPolarHBondContact O-CB 3.26Å; E339-V343 WeakPolarHBondContact O-CG2 3.44Å; E339-V343 PolarHBondContact O-N 3.16Å; I340-V343 PolarHBondContact O-N 2.81Å; Q341-V343 PolarHBondContact O-N 2.92Å; V343-Q347 WeakPolarHBondContact O-CB 3.14Å; V343-Q347 WeakPolarHBondContact O-CG 3.26Å; V343-Q347 PolarHBondContact O-N 3.03Å; V343-S355 WeakPolarHBondContact CG1-O 3.33Å; V343-A358 HydrophobicContact CG1-CB 4.11Å; V343-A358 HydrophobicContact CG2-CB 4.39Å; V343-M359 HydrophobicContact CB-CE 4.26Å; V343-M359 HydrophobicContact CB-CG 4.28Å; V343-M359 HydrophobicContact CG1-CE 3.91Å; V343-M359 HydrophobicContact CG1-CG 4.09Å; V343-M359 HydrophobicContact CG2-CG 4.28Å |
| 344 | L | 93.4 | Very high | 93.2 | Very high | 20 Ų | 20 | 66.7 Ų | 66.7 | 11% | 0.105 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.1 | -41.5 | 175.8 | -74.1 | 174.3 | 0 | 0 | 0 | 111.8 | I340 Q341 T342 E346 Q347 E348 G349 L351 M359 | I340-L344 HydrophobicContact CG2-CD1 3.79Å; I340-L344 HydrophobicContact CG2-CG 4.3Å; I340-L344 WeakPolarHBondContact O-CB 3.47Å; I340-L344 WeakPolarHBondContact O-CG 3.48Å; I340-L344 PolarHBondContact O-N 2.85Å; Q341-L344 PolarHBondContact O-N 3.45Å; T342-L344 VanDerWaalsContact C-N 3.3Å; T342-L344 PolarHBondContact O-N 3.04Å; L344-E346 VanDerWaalsContact C-N 3.32Å; L344-E346 PolarHBondContact O-N 3.08Å; L344-Q347 CarbonylContact O-C 3.47Å; L344-Q347 VanDerWaalsContact O-C 3.31Å; L344-Q347 PolarHBondContact O-N 2.95Å; L344-E348 PolarHBondContact O-N 3.1Å; L344-G349 WeakPolarHBondContact O-CA 3.5Å; L344-G349 PolarHBondContact O-N 2.97Å; L344-L351 HydrophobicContact CD2-CD2 3.67Å; L344-L351 HydrophobicContact CD2-CG 3.81Å; L344-M359 HydrophobicContact CG-CE 4.49Å |
| 345 | E | 92.6 | Very high | 92.9 | Very high | 147 Ų | 147 | 64.2 Ų | 64.2 | 69% | 0.687 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59.3 | -43.1 | 175.8 | -73.7 | 170.9 | -176.6 | 0 | 0 | 111.5 | Q341 T342 Q347 E348 | Q341-E345 WeakPolarHBondContact O-CG 3.41Å; Q341-E345 PolarHBondContact O-N 2.8Å; T342-E345 PolarHBondContact O-N 2.87Å; E345-Q347 PolarHBondContact O-N 2.92Å; E345-E348 PolarHBondContact O-N 3.49Å |
| 346 | E | 90.9 | Very high | 92.5 | Very high | 136 Ų | 136 | 58.9 Ų | 58.9 | 64% | 0.636 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -17.7 | 174.6 | -70.2 | 176.7 | 177.6 | 0 | 0 | 113.8 | T342 L344 | T342-E346 WeakPolarHBondContact O-CG 3.49Å; T342-E346 PolarHBondContact O-N 3.17Å; L344-E346 VanDerWaalsContact C-N 3.32Å; L344-E346 PolarHBondContact O-N 3.08Å |
| 347 | Q | 88.8 | Confident | 92.1 | Very high | 72 Ų | 72 | 65.6 Ų | 65.6 | 34% | 0.336 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | 29.4 | -175.8 | -61.7 | -71.4 | -53.2 | 0 | 0 | 112 | V343 L344 E345 G349 Q350 T352 | V343-Q347 WeakPolarHBondContact O-CB 3.14Å; V343-Q347 WeakPolarHBondContact O-CG 3.26Å; V343-Q347 PolarHBondContact O-N 3.03Å; L344-Q347 CarbonylContact O-C 3.47Å; L344-Q347 VanDerWaalsContact O-C 3.31Å; L344-Q347 PolarHBondContact O-N 2.95Å; E345-Q347 PolarHBondContact O-N 2.92Å; Q347-G349 PolarHBondContact O-N 3.28Å; Q347-Q350 PolarHBondContact O-N 3.04Å; Q347-T352 PolarHBondContact OE1-OG1 3.33Å |
| 348 | E | 88.2 | Confident | 91.9 | Very high | 175 Ų | 175 | 67.5 Ų | 67.5 | 82% | 0.818 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 31.7 | 176.6 | -56.8 | 178.2 | -168.8 | 0 | 0 | 113.6 | L344 E345 Q350 | L344-E348 PolarHBondContact O-N 3.1Å; E345-E348 PolarHBondContact O-N 3.49Å; E348-Q350 VanDerWaalsContact C-N 3.27Å; E348-Q350 PolarHBondContact O-N 2.85Å |
| 349 | G | 82.8 | Confident | 91.8 | Very high | 52 Ų | 52 | 63 Ų | 63 | 54% | 0.536 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 7.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | L344 Q347 | L344-G349 WeakPolarHBondContact O-CA 3.5Å; L344-G349 PolarHBondContact O-N 2.97Å; Q347-G349 PolarHBondContact O-N 3.28Å |
| 350 | Q | 85.2 | Confident | 91.7 | Very high | 119 Ų | 119 | 64 Ų | 64 | 56% | 0.556 | 33% | 0.331 | S | S | * | . | trans | -102.6 | 134.4 | -175.6 | -60.8 | -171.7 | 12.1 | 0 | 0 | 112.8 | Q347 E348 T352 | Q347-Q350 PolarHBondContact O-N 3.04Å; E348-Q350 VanDerWaalsContact C-N 3.27Å; E348-Q350 PolarHBondContact O-N 2.85Å; Q350-T352 HydrophobicContact CB-CG2 4.15Å; Q350-T352 PolarHBondContact O-N 2.81Å | ||
| 351 | L | 90.1 | Very high | 91.8 | Very high | 22 Ų | 22 | 64.7 Ų | 64.7 | 12% | 0.115 | 33% | 0.334 | C | S | . | . | trans | -76.5 | 91.1 | 167.2 | -77.5 | 171.4 | 0 | 0 | 0 | 109.8 | F146 I150 L344 S355 I356 M359 A466 Q467 | F146-L351 VanDerWaalsContact CE1-O 3.22Å; F146-L351 WeakPolarHBondContact CE1-O 3.48Å; I150-L351 HydrophobicContact CD1-CB 3.78Å; L344-L351 HydrophobicContact CD2-CD2 3.67Å; L344-L351 HydrophobicContact CD2-CG 3.81Å; L351-S355 WeakPolarHBondContact CA-OG 2.93Å; L351-I356 HydrophobicContact CD2-CD1 3.97Å; L351-I356 HydrophobicContact CD2-CG1 4.29Å; L351-M359 HydrophobicContact CD2-CE 3.81Å; L351-A466 HydrophobicContact CD2-CB 4.23Å; L351-Q467 HydrophobicContact CD1-CG 3.68Å | ||
| 352 | T | 91.1 | Very high | 91.9 | Very high | 40 Ų | 40 | 61.3 Ų | 61.3 | 25% | 0.245 | 32% | 0.318 | C | S | . | . | trans | -91.8 | 165.5 | 172.5 | 72.9 | 0 | 0 | 0 | 0 | 111.8 | F146 Q347 Q350 E354 S355 I356 | F146-T352 VanDerWaalsContact CE1-C 3.48Å; F146-T352 WeakPolarHBondContact CZ-O 3.48Å; Q347-T352 PolarHBondContact OE1-OG1 3.33Å; Q350-T352 HydrophobicContact CB-CG2 4.15Å; Q350-T352 PolarHBondContact O-N 2.81Å; T352-E354 PolarHBondContact O-N 2.88Å; T352-S355 PolarHBondContact N-OG 3.24Å; T352-S355 PolarHBondContact O-N 3.28Å; T352-S355 PolarHBondContact O-OG 2.96Å; T352-S355 PolarHBondContact OG1-N 3.47Å; T352-I356 PolarHBondContact O-N 3.35Å | ||
| 353 | Y | 88.6 | Confident | 92 | Very high | 63 Ų | 63 | 59.8 Ų | 59.8 | 25% | 0.247 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.3 | -34.8 | 175.5 | -171.4 | -91.1 | 0 | 0 | 0 | 112.2 | M142 K143 F146 K357 | M142-Y353 HydrophobicContact CB-CE2 4.14Å; K143-Y353 HydrophobicContact CB-CD2 4.24Å; K143-Y353 HydrophobicContact CB-CE2 4.29Å; K143-Y353 HydrophobicContact CB-CG 4.47Å; K143-Y353 HydrophobicContact CG-CD2 4.42Å; K143-Y353 HydrophobicContact CG-CG 4.26Å; F146-Y353 HydrophobicContact CB-CD2 4.14Å; F146-Y353 AromaticContact CD2-CD2 3.61Å; F146-Y353 HydrophobicContact CD2-CD2 3.61Å; F146-Y353 HydrophobicContact CD2-CE2 4.47Å; F146-Y353 HydrophobicContact CD2-CG 4.41Å; F146-Y353 HydrophobicContact CE2-CD2 4.21Å; F146-Y353 AromaticContact CG-CD2 3.98Å; F146-Y353 HydrophobicContact CG-CD2 3.98Å; Y353-K357 PolarHBondContact O-N 3.03Å |
| 354 | E | 88.9 | Confident | 92.1 | Very high | 86 Ų | 86 | 59.8 Ų | 59.8 | 40% | 0.402 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -75.9 | -36.5 | 177.7 | -56.4 | -52.7 | 145.1 | 0 | 0 | 111.7 | T352 I356 K357 A358 | T352-E354 PolarHBondContact O-N 2.88Å; E354-I356 VanDerWaalsContact C-N 3.35Å; E354-I356 PolarHBondContact O-N 2.98Å; E354-K357 WeakPolarHBondContact O-CB 3.29Å; E354-K357 PolarHBondContact O-N 3.4Å; E354-K357 VanDerWaalsContact O-N 3.07Å; E354-A358 PolarHBondContact O-N 3.42Å |
| 355 | S | 91.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.2 | -47.9 | 174.8 | 75.5 | 0 | 0 | 0 | 0 | 111.7 | V343 L351 T352 K357 A358 M359 | V343-S355 WeakPolarHBondContact CG1-O 3.33Å; L351-S355 WeakPolarHBondContact CA-OG 2.93Å; T352-S355 PolarHBondContact N-OG 3.24Å; T352-S355 PolarHBondContact O-N 3.28Å; T352-S355 PolarHBondContact O-OG 2.96Å; T352-S355 PolarHBondContact OG1-N 3.47Å; S355-K357 PolarHBondContact O-N 3.06Å; S355-A358 WeakPolarHBondContact O-CB 3.42Å; S355-A358 PolarHBondContact O-N 3.31Å; S355-M359 WeakPolarHBondContact O-CG 3.42Å; S355-M359 PolarHBondContact O-N 3.06Å |
| 356 | I | 91.9 | Very high | 92.7 | Very high | 7 Ų | 7 | 52.1 Ų | 52.1 | 4% | 0.036 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65 | -29.6 | 179.2 | -73.3 | -74.6 | 0 | 0 | 0 | 111.8 | F146 L351 T352 E354 M359 R462 I463 A466 | F146-I356 HydrophobicContact CE2-CB 4.45Å; F146-I356 HydrophobicContact CE2-CG1 4.1Å; F146-I356 HydrophobicContact CZ-CG1 4.16Å; L351-I356 HydrophobicContact CD2-CD1 3.97Å; L351-I356 HydrophobicContact CD2-CG1 4.29Å; T352-I356 PolarHBondContact O-N 3.35Å; E354-I356 VanDerWaalsContact C-N 3.35Å; E354-I356 PolarHBondContact O-N 2.98Å; I356-M359 HydrophobicContact CD1-SD 4.06Å; I356-R462 HydrophobicContact CD1-CB 4.05Å; I356-R462 HydrophobicContact CG2-CB 3.73Å; I356-R462 HydrophobicContact CG2-CG 4.26Å; I356-I463 HydrophobicContact CD1-CG1 4.01Å; I356-I463 HydrophobicContact CG1-CG1 4.17Å; I356-A466 HydrophobicContact CD1-CB 4.21Å |
| 357 | K | 89.9 | Confident | 93 | Very high | 141 Ų | 141 | 46.5 Ų | 46.5 | 61% | 0.613 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -75 | -31.2 | 175.7 | -174.8 | -176.3 | 169.2 | -163.1 | 0 | 111.8 | Y353 E354 S355 | Y353-K357 PolarHBondContact O-N 3.03Å; E354-K357 WeakPolarHBondContact O-CB 3.29Å; E354-K357 PolarHBondContact O-N 3.4Å; E354-K357 VanDerWaalsContact O-N 3.07Å; S355-K357 PolarHBondContact O-N 3.06Å |
| 358 | A | 93 | Very high | 93.5 | Very high | 52 Ų | 52 | 43.1 Ų | 43.1 | 43% | 0.43 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -74.2 | -25 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | V343 E354 S355 T360 | V343-A358 HydrophobicContact CG1-CB 4.11Å; V343-A358 HydrophobicContact CG2-CB 4.39Å; E354-A358 PolarHBondContact O-N 3.42Å; S355-A358 WeakPolarHBondContact O-CB 3.42Å; S355-A358 PolarHBondContact O-N 3.31Å; A358-T360 PolarHBondContact O-N 3.2Å; A358-T360 PolarHBondContact O-OG1 3.07Å |
| 359 | M | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -70.1 | 86.6 | 178 | -62.5 | 170.9 | -173.8 | 0 | 0 | 111.6 | I340 V343 L344 L351 S355 I356 L362 N363 A466 | I340-M359 HydrophobicContact CG1-SD 4.09Å; I340-M359 HydrophobicContact CG2-CE 4.04Å; V343-M359 HydrophobicContact CB-CE 4.26Å; V343-M359 HydrophobicContact CB-CG 4.28Å; V343-M359 HydrophobicContact CG1-CE 3.91Å; V343-M359 HydrophobicContact CG1-CG 4.09Å; V343-M359 HydrophobicContact CG2-CG 4.28Å; L344-M359 HydrophobicContact CG-CE 4.49Å; L351-M359 HydrophobicContact CD2-CE 3.81Å; S355-M359 WeakPolarHBondContact O-CG 3.42Å; S355-M359 PolarHBondContact O-N 3.06Å; I356-M359 HydrophobicContact CD1-SD 4.06Å; M359-L362 HydrophobicContact CB-CB 3.74Å; M359-L362 HydrophobicContact CB-CD2 4.07Å; M359-L362 HydrophobicContact SD-CD2 3.71Å; M359-N363 PolarHBondContact O-N 2.88Å; M359-N363 PolarHBondContact O-ND2 3Å; M359-A466 HydrophobicContact SD-CB 4.12Å | ||
| 360 | T | 97.3 | Very high | 94.8 | Very high | 62 Ų | 62 | 32.7 Ų | 32.7 | 38% | 0.38 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -76.8 | -43.9 | -173.7 | -63.3 | 0 | 0 | 0 | 0 | 111.3 | E339 A358 N363 Q364 P430 | E339-T360 PolarHBondContact OE1-N 3.36Å; E339-T360 PolarHBondContact OE2-N 3.44Å; A358-T360 PolarHBondContact O-N 3.2Å; A358-T360 PolarHBondContact O-OG1 3.07Å; T360-N363 VanDerWaalsContact O-CB 3.31Å; T360-N363 WeakPolarHBondContact O-CB 3.39Å; T360-N363 PolarHBondContact O-N 2.86Å; T360-N363 VanDerWaalsContact O-N 3.13Å; T360-Q364 WeakPolarHBondContact O-CG 3.37Å; T360-Q364 PolarHBondContact O-N 3.39Å; T360-Q364 VanDerWaalsContact O-N 3.09Å; T360-P430 HydrophobicContact CG2-CG 4.37Å |
| 361 | Y | 98.6 | Very high | 95.4 | Very high | 14 Ų | 14 | 27 Ų | 27 | 6% | 0.055 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.4 | -36.8 | 177.8 | -161.1 | -113.6 | 0 | 0 | 0 | 111.6 | I332 R335 L336 E339 N363 Q364 V365 P425 | I332-Y361 HydrophobicContact CG2-CE1 4.1Å; R335-Y361 HydrophobicContact CB-CE1 4.03Å; R335-Y361 HydrophobicContact CG-CD1 4.04Å; R335-Y361 HydrophobicContact CG-CE1 3.73Å; R335-Y361 PolarHBondContact NH1-OH 2.83Å; L336-Y361 HydrophobicContact CB-CD1 4.02Å; L336-Y361 HydrophobicContact CB-CE1 4.27Å; L336-Y361 HydrophobicContact CD1-CD1 4.23Å; E339-Y361 VanDerWaalsContact CD-CB 3.44Å; E339-Y361 VanDerWaalsContact CD-N 3.26Å; E339-Y361 WeakPolarHBondContact OE1-CB 3.43Å; E339-Y361 PolarHBondContact OE1-N 2.84Å; E339-Y361 WeakPolarHBondContact OE2-CA 3.48Å; E339-Y361 VanDerWaalsContact OE2-CB 3.28Å; E339-Y361 WeakPolarHBondContact OE2-CB 3.5Å; E339-Y361 PolarHBondContact OE2-N 2.84Å; Y361-N363 PolarHBondContact O-N 2.87Å; Y361-Q364 HydrophobicContact CD2-CB 4.44Å; Y361-Q364 WeakPolarHBondContact O-CB 3.09Å; Y361-Q364 PolarHBondContact O-N 3.2Å; Y361-V365 HydrophobicContact CD1-CG2 4.07Å; Y361-V365 HydrophobicContact CE1-CG2 3.95Å; Y361-V365 WeakPolarHBondContact O-CG2 3.43Å; Y361-V365 PolarHBondContact O-N 2.98Å; Y361-P425 HydrophobicContact CE2-CB 3.86Å |
| 362 | L | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -54.7 | -41.6 | 169 | 180 | 59.3 | 0 | 0 | 0 | 112 | L336 E339 M359 Q364 V365 I366 R462 L465 A466 | L336-L362 VanDerWaalsContact CD1-CA 3.45Å; L336-L362 HydrophobicContact CD1-CB 3.72Å; L336-L362 HydrophobicContact CD1-CD1 4Å; L336-L362 HydrophobicContact CD1-CG 4.45Å; L336-L362 HydrophobicContact CD2-CD1 4.27Å; E339-L362 PolarHBondContact OE2-N 2.85Å; M359-L362 HydrophobicContact CB-CB 3.74Å; M359-L362 HydrophobicContact CB-CD2 4.07Å; M359-L362 HydrophobicContact SD-CD2 3.71Å; L362-Q364 VanDerWaalsContact C-N 3.34Å; L362-V365 PolarHBondContact O-N 2.81Å; L362-I366 HydrophobicContact CD1-CD1 3.98Å; L362-I366 HydrophobicContact CD1-CG1 4.33Å; L362-I366 HydrophobicContact CG-CD1 4.01Å; L362-I366 VanDerWaalsContact O-CG1 3.3Å; L362-I366 WeakPolarHBondContact O-CG1 3.39Å; L362-I366 PolarHBondContact O-N 3.37Å; L362-R462 HydrophobicContact CD2-CB 3.93Å; L362-R462 HydrophobicContact CD2-CG 4.15Å; L362-R462 HydrophobicContact CG-CG 4.44Å; L362-L465 HydrophobicContact CD1-CB 4.04Å; L362-L465 HydrophobicContact CD1-CD1 4.43Å; L362-A466 HydrophobicContact CD2-CB 4.2Å |
| 363 | N | 98.1 | Very high | 96 | Very high | 35 Ų | 35 | 24.7 Ų | 24.7 | 19% | 0.187 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.9 | -37.9 | 176.2 | -70.5 | -42.9 | 0 | 0 | 0 | 112.7 | M359 T360 Y361 S367 R462 | M359-N363 PolarHBondContact O-N 2.88Å; M359-N363 PolarHBondContact O-ND2 3Å; T360-N363 VanDerWaalsContact O-CB 3.31Å; T360-N363 WeakPolarHBondContact O-CB 3.39Å; T360-N363 PolarHBondContact O-N 2.86Å; T360-N363 VanDerWaalsContact O-N 3.13Å; Y361-N363 PolarHBondContact O-N 2.87Å; N363-S367 VanDerWaalsContact O-CB 3.28Å; N363-S367 WeakPolarHBondContact O-CB 3.17Å; N363-S367 PolarHBondContact O-N 2.85Å; N363-S367 PolarHBondContact O-OG 3.46Å; N363-R462 PolarHBondContact OD1-NE 3.39Å; N363-R462 PolarHBondContact OD1-NH2 2.86Å |
| 364 | Q | 98.8 | Very high | 96.4 | Very high | 13 Ų | 13 | 21.7 Ų | 21.7 | 6% | 0.061 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.9 | -48.5 | 176.3 | -68.5 | 178.3 | 10.6 | 0 | 0 | 111.3 | T360 Y361 L362 I366 S367 E368 P425 F428 | T360-Q364 WeakPolarHBondContact O-CG 3.37Å; T360-Q364 PolarHBondContact O-N 3.39Å; T360-Q364 VanDerWaalsContact O-N 3.09Å; Y361-Q364 HydrophobicContact CD2-CB 4.44Å; Y361-Q364 WeakPolarHBondContact O-CB 3.09Å; Y361-Q364 PolarHBondContact O-N 3.2Å; L362-Q364 VanDerWaalsContact C-N 3.34Å; Q364-I366 PolarHBondContact O-N 2.92Å; Q364-S367 PolarHBondContact O-N 2.75Å; Q364-S367 VanDerWaalsContact O-N 3.14Å; Q364-E368 WeakPolarHBondContact O-CB 3.21Å; Q364-E368 PolarHBondContact O-N 2.83Å; Q364-P425 HydrophobicContact CB-CB 3.98Å; Q364-P425 WeakPolarHBondContact CB-O 3.43Å; Q364-F428 HydrophobicContact CB-CB 4.17Å; Q364-F428 HydrophobicContact CG-CB 4.09Å; Q364-F428 WeakPolarHBondContact CG-O 3.49Å |
| 365 | V | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.5 | -45.8 | 178 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | C322 L326 I332 L336 Y361 L362 S367 T369 F423 P425 | C322-V365 VanDerWaalsContact SG-CG1 3.6Å; L326-V365 HydrophobicContact CD1-CG1 4.36Å; L326-V365 HydrophobicContact CD2-CG1 3.97Å; L326-V365 HydrophobicContact CG-CG1 4.32Å; I332-V365 HydrophobicContact CG2-CG2 4.1Å; L336-V365 HydrophobicContact CD2-CG1 4.24Å; L336-V365 HydrophobicContact CD2-CG2 4.34Å; Y361-V365 HydrophobicContact CD1-CG2 4.07Å; Y361-V365 HydrophobicContact CE1-CG2 3.95Å; Y361-V365 WeakPolarHBondContact O-CG2 3.43Å; Y361-V365 PolarHBondContact O-N 2.98Å; L362-V365 PolarHBondContact O-N 2.81Å; V365-S367 VanDerWaalsContact C-N 3.33Å; V365-S367 PolarHBondContact O-N 2.87Å; V365-T369 WeakPolarHBondContact O-CB 3.4Å; V365-T369 PolarHBondContact O-N 3.35Å; V365-T369 PolarHBondContact O-OG1 2.96Å; V365-F423 HydrophobicContact CG1-CE1 4.41Å; V365-F423 HydrophobicContact CG1-CZ 3.94Å; V365-P425 HydrophobicContact CG2-CB 4.06Å; V365-P425 HydrophobicContact CG2-CG 3.84Å |
| 366 | I | 98.7 | Very high | 96.8 | Very high | 5 Ų | 5 | 21.1 Ų | 21.1 | 3% | 0.026 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.9 | -40.4 | 176.2 | -68.2 | 168.3 | 0 | 0 | 0 | 111 | T318 L362 Q364 T369 L370 R462 L465 | T318-I366 HydrophobicContact CG2-CG2 4.47Å; L362-I366 HydrophobicContact CD1-CD1 3.98Å; L362-I366 HydrophobicContact CD1-CG1 4.33Å; L362-I366 HydrophobicContact CG-CD1 4.01Å; L362-I366 VanDerWaalsContact O-CG1 3.3Å; L362-I366 WeakPolarHBondContact O-CG1 3.39Å; L362-I366 PolarHBondContact O-N 3.37Å; Q364-I366 PolarHBondContact O-N 2.92Å; I366-T369 WeakPolarHBondContact O-CB 3.28Å; I366-T369 PolarHBondContact O-N 3.17Å; I366-L370 HydrophobicContact CG2-CD1 4.11Å; I366-L370 WeakPolarHBondContact O-CG 3.3Å; I366-L370 PolarHBondContact O-N 3.05Å; I366-R462 HydrophobicContact CD1-CB 4.38Å; I366-R462 HydrophobicContact CD1-CG 3.57Å; I366-L465 HydrophobicContact CD1-CD1 3.81Å; I366-L465 HydrophobicContact CG1-CD1 3.58Å |
| 367 | S | 98.7 | Very high | 96.9 | Very high | 19 Ų | 19 | 21 Ų | 21 | 13% | 0.133 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -70 | -38 | -177.5 | -57.7 | 0 | 0 | 0 | 0 | 112.3 | N363 Q364 V365 L370 R371 F428 W441 | N363-S367 VanDerWaalsContact O-CB 3.28Å; N363-S367 WeakPolarHBondContact O-CB 3.17Å; N363-S367 PolarHBondContact O-N 2.85Å; N363-S367 PolarHBondContact O-OG 3.46Å; Q364-S367 PolarHBondContact O-N 2.75Å; Q364-S367 VanDerWaalsContact O-N 3.14Å; V365-S367 VanDerWaalsContact C-N 3.33Å; V365-S367 PolarHBondContact O-N 2.87Å; S367-L370 PolarHBondContact O-N 2.62Å; S367-R371 PolarHBondContact O-N 3.4Å; S367-F428 VanDerWaalsContact CB-CG 3.46Å; S367-W441 PolarHBondContact O-NE1 3.46Å |
| 368 | E | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -67.3 | -39 | 173 | 179.9 | 63.4 | 176.2 | 0 | 0 | 111.7 | Q364 L370 R371 L372 T422 F423 D424 R427 F428 | Q364-E368 WeakPolarHBondContact O-CB 3.21Å; Q364-E368 PolarHBondContact O-N 2.83Å; E368-L370 VanDerWaalsContact C-N 3.33Å; E368-L370 PolarHBondContact O-N 3.47Å; E368-R371 WeakPolarHBondContact O-CB 3.5Å; E368-R371 PolarHBondContact O-N 3.42Å; E368-R371 IonicContact OE1-CZ 3.24Å; E368-R371 IonicContact OE1-NE 3.93Å; E368-R371 PolarHBondContact OE1-NE 2.87Å; E368-R371 IonicContact OE1-NH2 2.69Å; E368-R371 PolarHBondContact OE1-NH2 3.37Å; E368-R371 WeakPolarHBondContact OE2-CD 3.08Å; E368-R371 IonicContact OE2-CZ 2.69Å; E368-R371 IonicContact OE2-NE 3.33Å; E368-R371 PolarHBondContact OE2-NE 2.79Å; E368-R371 IonicContact OE2-NH2 3.91Å; E368-L372 HydrophobicContact CG-CD1 4.46Å; E368-L372 PolarHBondContact O-N 2.9Å; E368-T422 VanDerWaalsContact OE1-O 3.05Å; E368-F423 HydrophobicContact CB-CE2 4.15Å; E368-F423 HydrophobicContact CB-CZ 4.42Å; E368-F423 HydrophobicContact CG-CD2 3.72Å; E368-F423 HydrophobicContact CG-CE2 3.77Å; E368-F423 HydrophobicContact CG-CG 4.14Å; E368-F423 HydrophobicContact CG-CZ 4.27Å; E368-D424 VanDerWaalsContact CD-O 3.31Å; E368-D424 PolarHBondContact OE1-N 2.81Å; E368-R427 IonicContact OE1-NE 3.42Å; E368-R427 WeakPolarHBondContact OE2-CD 3.4Å; E368-F428 HydrophobicContact CB-CD2 3.99Å; E368-F428 HydrophobicContact CB-CE2 4.14Å; E368-F428 VanDerWaalsContact OE2-CE2 3.25Å; E368-F428 WeakPolarHBondContact OE2-CE2 3.3Å |
| 369 | T | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.006 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -56.9 | -48.5 | 171 | -56.4 | 0 | 0 | 0 | 0 | 110.7 | C322 V365 I366 R371 L372 Y373 | C322-T369 HydrophobicContact CB-CG2 3.92Å; V365-T369 WeakPolarHBondContact O-CB 3.4Å; V365-T369 PolarHBondContact O-N 3.35Å; V365-T369 PolarHBondContact O-OG1 2.96Å; I366-T369 WeakPolarHBondContact O-CB 3.28Å; I366-T369 PolarHBondContact O-N 3.17Å; T369-R371 VanDerWaalsContact C-N 3.27Å; T369-R371 PolarHBondContact O-N 2.78Å; T369-L372 PolarHBondContact O-N 3.46Å; T369-Y373 HydrophobicContact CG2-CD2 4.03Å; T369-Y373 WeakPolarHBondContact O-CA 3.47Å; T369-Y373 WeakPolarHBondContact O-CB 3.37Å; T369-Y373 WeakPolarHBondContact O-CD2 3.27Å; T369-Y373 PolarHBondContact O-N 2.85Å |
| 370 | L | 98.4 | Very high | 97.3 | Very high | 7 Ų | 7 | 15.5 Ų | 15.5 | 4% | 0.037 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68.1 | -24.4 | -179.9 | -74.5 | 171.1 | 0 | 0 | 0 | 113.6 | T318 I366 S367 E368 T374 W441 P443 F444 | T318-L370 HydrophobicContact CG2-CD2 3.72Å; T318-L370 HydrophobicContact CG2-CG 3.96Å; I366-L370 HydrophobicContact CG2-CD1 4.11Å; I366-L370 WeakPolarHBondContact O-CG 3.3Å; I366-L370 PolarHBondContact O-N 3.05Å; S367-L370 PolarHBondContact O-N 2.62Å; E368-L370 VanDerWaalsContact C-N 3.33Å; E368-L370 PolarHBondContact O-N 3.47Å; L370-T374 PolarHBondContact O-OG1 3.39Å; L370-W441 HydrophobicContact CB-CZ2 4.22Å; L370-W441 HydrophobicContact CD1-CZ2 4.31Å; L370-P443 HydrophobicContact CB-CB 3.76Å; L370-P443 HydrophobicContact CB-CG 4.03Å; L370-P443 HydrophobicContact CD1-CB 4.38Å; L370-P443 HydrophobicContact CD1-CG 4.41Å; L370-P443 HydrophobicContact CD2-CB 4.31Å; L370-P443 HydrophobicContact CG-CB 4.39Å; L370-F444 HydrophobicContact CD1-CE2 3.56Å; L370-F444 HydrophobicContact CD1-CZ 3.71Å |
| 371 | R | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -68.2 | -56.8 | 170.4 | -173.4 | -165.4 | 66.8 | 78.9 | -4.9 | 109.8 | S367 E368 T369 Y373 T374 H411 Y417 P420 T422 F428 | S367-R371 PolarHBondContact O-N 3.4Å; E368-R371 WeakPolarHBondContact O-CB 3.5Å; E368-R371 PolarHBondContact O-N 3.42Å; E368-R371 IonicContact OE1-CZ 3.24Å; E368-R371 IonicContact OE1-NE 3.93Å; E368-R371 PolarHBondContact OE1-NE 2.87Å; E368-R371 IonicContact OE1-NH2 2.69Å; E368-R371 PolarHBondContact OE1-NH2 3.37Å; E368-R371 WeakPolarHBondContact OE2-CD 3.08Å; E368-R371 IonicContact OE2-CZ 2.69Å; E368-R371 IonicContact OE2-NE 3.33Å; E368-R371 PolarHBondContact OE2-NE 2.79Å; E368-R371 IonicContact OE2-NH2 3.91Å; T369-R371 VanDerWaalsContact C-N 3.27Å; T369-R371 PolarHBondContact O-N 2.78Å; R371-Y373 PolarHBondContact O-N 3.47Å; R371-T374 PolarHBondContact O-OG1 3.19Å; R371-H411 HydrophobicContact CG-CB 3.75Å; R371-H411 WeakPolarHBondContact CG-O 3.47Å; R371-H411 PolarHBondContact NH1-O 3.27Å; R371-H411 WeakPolarHBondContact O-CB 3.35Å; R371-H411 PolarHBondContact O-ND1 3.42Å; R371-Y417 VanDerWaalsContact CD-CD1 3.42Å; R371-Y417 VanDerWaalsContact CD-CE1 3.47Å; R371-Y417 HydrophobicContact CG-CE1 4.32Å; R371-P420 VanDerWaalsContact CZ-O 3.26Å; R371-P420 PolarHBondContact NH1-O 3.41Å; R371-P420 PolarHBondContact NH2-O 3.33Å; R371-T422 PolarHBondContact NH2-O 2.57Å; R371-F428 HydrophobicContact CB-CE2 4.16Å; R371-F428 HydrophobicContact CB-CZ 4.07Å |
| 372 | L | 97.5 | Very high | 97.3 | Very high | 3 Ų | 3 | 14.5 Ų | 14.5 | 2% | 0.016 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -66.2 | -39.2 | -176.6 | -81.7 | 168.6 | 0 | 0 | 0 | 113 | E368 T369 R412 P420 F423 | E368-L372 HydrophobicContact CG-CD1 4.46Å; E368-L372 PolarHBondContact O-N 2.9Å; T369-L372 PolarHBondContact O-N 3.46Å; L372-R412 PolarHBondContact O-NH2 3.22Å; L372-P420 VanDerWaalsContact CD2-O 3.25Å; L372-P420 WeakPolarHBondContact CD2-O 3.43Å; L372-F423 HydrophobicContact CD1-CB 3.82Å; L372-F423 HydrophobicContact CD1-CD2 3.57Å; L372-F423 HydrophobicContact CD1-CG 4.17Å |
| 373 | Y | 96.9 | Very high | 97.3 | Very high | 11 Ų | 11 | 14.5 Ų | 14.5 | 4% | 0.043 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -112.6 | 69.3 | -176.7 | -58.2 | -89.5 | 0 | 0 | 0 | 110.7 | Y321 Y324 E325 T369 R371 L375 L484 Y486 L493 | Y321-Y373 AromaticContact CD1-CD1 3.58Å; Y321-Y373 HydrophobicContact CD1-CD1 3.58Å; Y321-Y373 AromaticContact CD1-CE1 3.68Å; Y321-Y373 HydrophobicContact CD1-CE1 3.68Å; Y321-Y373 HydrophobicContact CD1-CG 4.19Å; Y321-Y373 AromaticContact CD2-CD1 3.81Å; Y321-Y373 HydrophobicContact CD2-CD1 3.81Å; Y321-Y373 AromaticContact CD2-CG 3.79Å; Y321-Y373 HydrophobicContact CD2-CG 3.79Å; Y321-Y373 HydrophobicContact CE1-CD1 4Å; Y321-Y373 HydrophobicContact CE1-CE1 4.23Å; Y321-Y373 HydrophobicContact CE2-CD1 4.2Å; Y321-Y373 HydrophobicContact CE2-CG 4.5Å; Y321-Y373 AromaticContact CG-CD1 3.49Å; Y321-Y373 HydrophobicContact CG-CD1 3.49Å; Y321-Y373 VanDerWaalsContact CG-CD1 3.49Å; Y321-Y373 HydrophobicContact CG-CD2 4.23Å; Y321-Y373 AromaticContact CG-CE1 3.95Å; Y321-Y373 HydrophobicContact CG-CE1 3.95Å; Y321-Y373 AromaticContact CG-CG 3.62Å; Y321-Y373 HydrophobicContact CG-CG 3.62Å; Y324-Y373 WeakPolarHBondContact CD1-OH 3.27Å; Y324-Y373 VanDerWaalsContact CE1-OH 3.22Å; Y324-Y373 WeakPolarHBondContact CE1-OH 3.4Å; E325-Y373 HydrophobicContact CG-CE2 3.58Å; E325-Y373 VanDerWaalsContact OE1-CE2 3.28Å; E325-Y373 WeakPolarHBondContact OE1-CE2 3.16Å; E325-Y373 PolarHBondContact OE1-OH 3.42Å; T369-Y373 HydrophobicContact CG2-CD2 4.03Å; T369-Y373 WeakPolarHBondContact O-CA 3.47Å; T369-Y373 WeakPolarHBondContact O-CB 3.37Å; T369-Y373 WeakPolarHBondContact O-CD2 3.27Å; T369-Y373 PolarHBondContact O-N 2.85Å; R371-Y373 PolarHBondContact O-N 3.47Å; Y373-L375 PolarHBondContact O-N 3.47Å; Y373-L484 HydrophobicContact CE1-CD1 4.31Å; Y373-Y486 HydrophobicContact CD1-CE1 4.46Å; Y373-Y486 WeakPolarHBondContact CD1-OH 3.38Å; Y373-Y486 WeakPolarHBondContact CE1-OH 3.43Å; Y373-L493 HydrophobicContact CD1-CD2 4.21Å |
| 374 | T | 96.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | trans | -72.4 | 97.8 | -178.5 | -50.6 | 0 | 0 | 0 | 0 | 110.2 | H53 L370 R371 V376 A407 H411 | H53-T374 WeakPolarHBondContact NE2-CB 3.49Å; L370-T374 PolarHBondContact O-OG1 3.39Å; R371-T374 PolarHBondContact O-OG1 3.19Å; T374-V376 VanDerWaalsContact C-N 3.34Å; T374-V376 WeakPolarHBondContact CG2-O 3.48Å; T374-V376 PolarHBondContact O-N 3.3Å; T374-A407 HydrophobicContact CG2-CB 4.14Å; T374-H411 PolarHBondContact OG1-ND1 2.84Å | ||
| 375 | L | 95.1 | Very high | 97.3 | Very high | 14 Ų | 14 | 18.9 Ų | 18.9 | 7% | 0.073 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -58.9 | -41.6 | -171.4 | -63.6 | -176.4 | 0 | 0 | 0 | 113.7 | T314 T318 Y321 Y373 P377 V492 L493 | T314-L375 HydrophobicContact CG2-CD1 4.41Å; T314-L375 WeakPolarHBondContact O-CD1 3.36Å; T318-L375 WeakPolarHBondContact OG1-CD1 3.45Å; Y321-L375 HydrophobicContact CD2-CD2 4.06Å; Y321-L375 HydrophobicContact CE2-CD2 3.6Å; Y373-L375 PolarHBondContact O-N 3.47Å; L375-P377 WeakPolarHBondContact O-CD 3.2Å; L375-V492 CarbonylContact O-C 3.32Å; L375-V492 WeakPolarHBondContact O-CA 3.47Å; L375-V492 WeakPolarHBondContact O-CB 3.12Å; L375-L493 HydrophobicContact CD2-CB 4.38Å; L375-L493 PolarHBondContact O-N 2.94Å |
| 376 | V | 94.4 | Very high | 97.2 | Very high | 59 Ų | 59 | 24 Ų | 24 | 36% | 0.358 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -104.4 | 100.9 | 171.9 | -178.6 | 0 | 0 | 0 | 0 | 107.1 | T374 H378 V492 | T374-V376 VanDerWaalsContact C-N 3.34Å; T374-V376 WeakPolarHBondContact CG2-O 3.48Å; T374-V376 PolarHBondContact O-N 3.3Å; V376-H378 WeakPolarHBondContact CG1-O 3.32Å; V376-H378 PolarHBondContact O-N 3.48Å; V376-V492 HydrophobicContact CG2-CG1 4.43Å |
| 377 | P | 93.6 | Very high | 97.2 | Very high | 5 Ų | 5 | 24.7 Ų | 24.7 | 3% | 0.032 | 13% | 0.129 | C | C | . | . | trans | -68.4 | -21.2 | -164.8 | 26.1 | -35.8 | 0 | 0 | 0 | 113.7 | M52 L375 A407 C408 | M52-P377 HydrophobicContact CB-CG 3.99Å; M52-P377 HydrophobicContact CG-CB 4.35Å; M52-P377 HydrophobicContact CG-CG 3.67Å; M52-P377 HydrophobicContact SD-CG 3.51Å; M52-P377 VanDerWaalsContact SD-CG 3.51Å; L375-P377 WeakPolarHBondContact O-CD 3.2Å; P377-A407 PolarHBondContact O-N 2.91Å; P377-A407 VanDerWaalsContact O-N 3.14Å; P377-C408 HydrophobicContact CB-CB 3.88Å; P377-C408 WeakPolarHBondContact O-CB 3.31Å; P377-C408 PolarHBondContact O-N 3.46Å; P377-C408 PolarHBondContact O-SG 3.33Å | ||
| 378 | H | 95.4 | Very high | 97.2 | Very high | 18 Ų | 18 | 27.7 Ų | 27.7 | 8% | 0.083 | 15% | 0.146 | C | C | . | . | trans | -143 | 154.2 | 178.5 | 68.5 | -61.9 | 0 | 0 | 0 | 112.1 | M52 F56 V376 E380 I404 I405 | M52-H378 PolarHBondContact SD-CE1 3.32Å; M52-H378 PolarHBondContact SD-ND1 3.01Å; M52-H378 VanDerWaalsContact SD-ND1 3.37Å; F56-H378 HydrophobicContact CD2-CB 4.14Å; F56-H378 HydrophobicContact CE2-CB 3.71Å; F56-H378 AromaticContact CE2-CG 3.47Å; F56-H378 VanDerWaalsContact CE2-CG 3.47Å; F56-H378 AromaticContact CE2-ND1 3.4Å; F56-H378 WeakPolarHBondContact CE2-ND1 3.22Å; F56-H378 HydrophobicContact CZ-CB 4.37Å; F56-H378 AromaticContact CZ-CG 3.96Å; V376-H378 WeakPolarHBondContact CG1-O 3.32Å; V376-H378 PolarHBondContact O-N 3.48Å; H378-E380 VanDerWaalsContact CD2-CG 3.5Å; H378-E380 WeakPolarHBondContact CD2-CG 3.33Å; H378-E380 IonicContact CD2-OE1 2.76Å; H378-E380 IonicContact CE1-OE1 3.5Å; H378-E380 WeakPolarHBondContact NE2-CG 3.42Å; H378-E380 IonicContact NE2-OE1 2.79Å; H378-E380 PolarHBondContact NE2-OE1 2.82Å; H378-I404 HydrophobicContact CB-CG2 3.98Å; H378-I405 CarbonylContact C-O 3.38Å; H378-I405 WeakPolarHBondContact CA-O 3.38Å; H378-I405 WeakPolarHBondContact CB-O 3.46Å | ||
| 379 | L | 97.1 | Very high | 97.1 | Very high | 22 Ų | 22 | 27.9 Ų | 27.9 | 12% | 0.115 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 140.4 | 169.8 | -48.4 | 176.2 | 0 | 0 | 0 | 109.4 | L93 I405 L442 | L93-L379 HydrophobicContact CD1-CD1 3.98Å; L93-L379 HydrophobicContact CD2-CD1 4.11Å; L379-I405 HydrophobicContact CB-CB 4.2Å; L379-I405 PolarHBondContact N-O 2.93Å; L379-I405 PolarHBondContact O-N 3.31Å; L379-L442 HydrophobicContact CD1-CB 4.33Å; L379-L442 HydrophobicContact CD1-CD1 4.09Å; L379-L442 HydrophobicContact CD1-CD2 4.22Å; L379-L442 HydrophobicContact CD1-CG 4.47Å |
| 380 | E | 95.5 | Very high | 97 | Very high | 37 Ų | 37 | 31.2 Ų | 31.2 | 17% | 0.173 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 140.8 | 178.7 | -64.6 | 172 | 157.3 | 0 | 0 | 110.8 | Q105 H378 V403 | Q105-E380 PolarHBondContact NE2-OE2 2.75Å; H378-E380 VanDerWaalsContact CD2-CG 3.5Å; H378-E380 WeakPolarHBondContact CD2-CG 3.33Å; H378-E380 IonicContact CD2-OE1 2.76Å; H378-E380 IonicContact CE1-OE1 3.5Å; H378-E380 WeakPolarHBondContact NE2-CG 3.42Å; H378-E380 IonicContact NE2-OE1 2.79Å; H378-E380 PolarHBondContact NE2-OE1 2.82Å; E380-V403 WeakPolarHBondContact CA-O 3.34Å |
| 381 | R | 97.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 1% | 0.011 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 163.3 | 171.7 | -63.4 | -67.7 | -176.1 | -86.1 | 0.5 | 109.1 | I92 L93 F100 D102 Q402 V403 | I92-R381 HydrophobicContact CG2-CB 4.16Å; I92-R381 HydrophobicContact CG2-CG 3.94Å; L93-R381 HydrophobicContact CD2-CG 4.37Å; L93-R381 VanDerWaalsContact CD2-NH2 3.29Å; F100-R381 HydrophobicContact CB-CB 4.15Å; F100-R381 HydrophobicContact CB-CG 4.46Å; F100-R381 HydrophobicContact CD1-CB 4.45Å; F100-R381 WeakPolarHBondContact O-CD 3.21Å; D102-R381 CarbonylContact O-C 3.57Å; D102-R381 VanDerWaalsContact O-CA 3.29Å; D102-R381 WeakPolarHBondContact O-CA 3.04Å; R381-Q402 CarbonylContact O-C 3.36Å; R381-Q402 PolarHBondContact O-OE1 3Å; R381-V403 HydrophobicContact CB-CB 4.05Å; R381-V403 HydrophobicContact CB-CG1 4.44Å; R381-V403 PolarHBondContact N-O 3.48Å; R381-V403 WeakPolarHBondContact O-CB 2.81Å; R381-V403 PolarHBondContact O-N 3.42Å |
| 382 | K | 97.3 | Very high | 96.6 | Very high | 52 Ų | 52 | 38.2 Ų | 38.2 | 23% | 0.226 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 127.5 | 176.5 | -177.9 | -179 | 173.8 | -167.8 | 0 | 110.1 | D102 L384 | D102-K382 HydrophobicContact CB-CB 4.27Å; D102-K382 PolarHBondContact O-N 2.86Å; K382-L384 PolarHBondContact O-N 3.29Å |
| 383 | A | 98.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | trans | -64.8 | 123.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | N99 F100 I397 G400 T401 | N99-A383 CarbonylContact O-C 3.28Å; F100-A383 HydrophobicContact CD1-CB 4.33Å; F100-A383 HydrophobicContact CE1-CB 3.82Å; A383-I397 HydrophobicContact CB-CG2 3.9Å; A383-G400 WeakPolarHBondContact O-CA 3.26Å; A383-G400 PolarHBondContact O-N 3.03Å; A383-T401 PolarHBondContact N-O 3.45Å | ||
| 384 | L | 97.9 | Very high | 96.1 | Very high | 50 Ų | 50 | 55.4 Ų | 55.4 | 26% | 0.262 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -86.5 | -28.1 | 178.8 | -62.4 | -175 | 0 | 0 | 0 | 112.2 | N99 A101 D102 K382 K399 | N99-L384 WeakPolarHBondContact O-CB 3.19Å; N99-L384 WeakPolarHBondContact O-CG 3.49Å; N99-L384 PolarHBondContact O-N 2.96Å; A101-L384 HydrophobicContact CB-CD1 4.28Å; D102-L384 HydrophobicContact CB-CD2 4.01Å; D102-L384 WeakPolarHBondContact OD2-CD2 3.13Å; K382-L384 PolarHBondContact O-N 3.29Å; L384-K399 VanDerWaalsContact O-CD 3.26Å; L384-K399 WeakPolarHBondContact O-CD 3.39Å; L384-K399 WeakPolarHBondContact O-CE 3.38Å; L384-K399 VanDerWaalsContact O-CG 3.28Å; L384-K399 WeakPolarHBondContact O-CG 3.23Å |
| 385 | N | 98.4 | Very high | 96.1 | Very high | 90 Ų | 90 | 56 Ų | 56 | 48% | 0.481 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -137.9 | 164.5 | 172.7 | -50.2 | -74.1 | 0 | 0 | 0 | 109.4 | N99 Y387 | N99-N385 PolarHBondContact ND2-O 3.26Å; N99-N385 WeakPolarHBondContact OD1-CA 3.33Å; N99-N385 VanDerWaalsContact OD1-CB 3.24Å; N99-N385 WeakPolarHBondContact OD1-CB 3.45Å; N99-N385 PolarHBondContact OD1-N 3.07Å; N99-N385 PolarHBondContact OD1-ND2 2.91Å; N99-N385 PolarHBondContact OD1-O 2.99Å; N385-Y387 PolarHBondContact O-N 3.5Å |
| 386 | D | 98.4 | Very high | 96.3 | Very high | 107 Ų | 107 | 57.6 Ų | 57.6 | 57% | 0.572 | 31% | 0.314 | S | S | * | . | trans | -57.9 | 131.2 | 173.5 | -66 | -8.2 | 0 | 0 | 0 | 109.7 | V396 E398 K399 | D386-V396 HydrophobicContact CB-CG1 4.1Å; D386-E398 WeakPolarHBondContact OD1-CA 3.25Å; D386-K399 WeakPolarHBondContact OD1-CB 3.32Å; D386-K399 PolarHBondContact OD1-N 2.95Å | ||
| 387 | Y | 98.4 | Very high | 96.4 | Very high | 19 Ų | 19 | 54.8 Ų | 54.8 | 8% | 0.075 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 107.6 | -176.3 | -177.7 | -100.3 | 0 | 0 | 0 | 110 | L88 N91 D96 F100 N385 V389 P390 V396 I397 | L88-Y387 HydrophobicContact CD1-CE1 3.84Å; N91-Y387 WeakPolarHBondContact CB-OH 3.37Å; D96-Y387 HydrophobicContact CB-CE2 3.86Å; D96-Y387 VanDerWaalsContact OD2-CE2 3.31Å; D96-Y387 WeakPolarHBondContact OD2-CE2 3.39Å; D96-Y387 PolarHBondContact OD2-OH 2.94Å; F100-Y387 HydrophobicContact CE2-CD1 4.15Å; F100-Y387 AromaticContact CE2-CD2 3.74Å; F100-Y387 HydrophobicContact CE2-CD2 3.74Å; F100-Y387 HydrophobicContact CE2-CE1 4.33Å; F100-Y387 AromaticContact CE2-CE2 3.93Å; F100-Y387 HydrophobicContact CE2-CE2 3.93Å; F100-Y387 AromaticContact CE2-CG 3.84Å; F100-Y387 HydrophobicContact CE2-CG 3.84Å; F100-Y387 AromaticContact CZ-CD1 3.76Å; F100-Y387 HydrophobicContact CZ-CD1 3.76Å; F100-Y387 AromaticContact CZ-CD2 3.95Å; F100-Y387 HydrophobicContact CZ-CD2 3.95Å; F100-Y387 HydrophobicContact CZ-CE1 4.29Å; F100-Y387 HydrophobicContact CZ-CE2 4.46Å; F100-Y387 AromaticContact CZ-CG 3.55Å; F100-Y387 HydrophobicContact CZ-CG 3.55Å; N385-Y387 PolarHBondContact O-N 3.5Å; Y387-V389 HydrophobicContact CD1-CG2 4.28Å; Y387-V389 HydrophobicContact CE1-CG2 4.3Å; Y387-V389 PolarHBondContact O-N 3.19Å; Y387-P390 WeakPolarHBondContact OH-CD 3.12Å; Y387-V396 CarbonylContact O-C 3.6Å; Y387-V396 WeakPolarHBondContact O-CA 3.35Å; Y387-I397 HydrophobicContact CD1-CD1 4.28Å; Y387-I397 PolarHBondContact N-O 3.4Å; Y387-I397 PolarHBondContact O-N 3.21Å |
| 388 | V | 98.1 | Very high | 96.6 | Very high | 82 Ų | 82 | 57.4 Ų | 57.4 | 50% | 0.497 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 123 | 170.8 | -175.8 | 0 | 0 | 0 | 0 | 107.7 | P390 V396 | V388-P390 WeakPolarHBondContact O-CD 3.35Å; V388-V396 HydrophobicContact CG2-CG2 4.19Å |
| 389 | V | 97.3 | Very high | 96.7 | Very high | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.024 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 124.4 | -178.1 | 176.3 | 0 | 0 | 0 | 0 | 109.8 | P69 F70 L88 Y387 G391 H392 L395 I397 | P69-V389 HydrophobicContact CB-CG1 4.2Å; P69-V389 HydrophobicContact CG-CG1 3.73Å; F70-V389 HydrophobicContact CD1-CG2 3.97Å; F70-V389 HydrophobicContact CE1-CG2 3.67Å; L88-V389 HydrophobicContact CD1-CG1 4.08Å; L88-V389 HydrophobicContact CD1-CG2 4.36Å; L88-V389 HydrophobicContact CD2-CG1 4.2Å; L88-V389 HydrophobicContact CD2-CG2 4.22Å; Y387-V389 HydrophobicContact CD1-CG2 4.28Å; Y387-V389 HydrophobicContact CE1-CG2 4.3Å; Y387-V389 PolarHBondContact O-N 3.19Å; V389-G391 PolarHBondContact O-N 2.95Å; V389-H392 HydrophobicContact CB-CB 4.17Å; V389-H392 HydrophobicContact CG1-CB 4.18Å; V389-H392 CarbonylContact O-C 3.36Å; V389-H392 WeakPolarHBondContact O-CA 3.42Å; V389-H392 PolarHBondContact O-N 2.82Å; V389-L395 HydrophobicContact CB-CB 4.34Å; V389-L395 HydrophobicContact CG2-CB 4.34Å; V389-L395 PolarHBondContact N-O 2.91Å; V389-I397 HydrophobicContact CG2-CD1 4.48Å; V389-I397 HydrophobicContact CG2-CG1 4.4Å |
| 390 | P | 95.3 | Very high | 96.6 | Very high | 71 Ų | 71 | 63.9 Ų | 63.9 | 46% | 0.461 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 130.5 | 177.6 | -28 | 36.3 | 0 | 0 | 0 | 111.8 | Y387 V388 H392 | Y387-P390 WeakPolarHBondContact OH-CD 3.12Å; V388-P390 WeakPolarHBondContact O-CD 3.35Å; P390-H392 PolarHBondContact O-N 3.13Å |
| 391 | G | 94.3 | Very high | 96.6 | Very high | 81 Ų | 81 | 62.5 Ų | 62.5 | 84% | 0.835 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | -5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | V389 | V389-G391 PolarHBondContact O-N 2.95Š|
| 392 | H | 94.7 | Very high | 96.6 | Very high | 74 Ų | 74 | 64.2 Ų | 64.2 | 34% | 0.343 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 71.2 | -178.6 | -61.1 | -93.3 | 0 | 0 | 0 | 111.5 | V389 P390 K394 L395 | V389-H392 HydrophobicContact CB-CB 4.17Å; V389-H392 HydrophobicContact CG1-CB 4.18Å; V389-H392 CarbonylContact O-C 3.36Å; V389-H392 WeakPolarHBondContact O-CA 3.42Å; V389-H392 PolarHBondContact O-N 2.82Å; P390-H392 PolarHBondContact O-N 3.13Å; H392-K394 PolarHBondContact O-N 3.08Å; H392-L395 HydrophobicContact CB-CB 4.02Å; H392-L395 HydrophobicContact CB-CD1 3.81Å; H392-L395 HydrophobicContact CB-CG 4Å; H392-L395 PolarHBondContact O-N 2.9Å |
| 393 | E | 92.3 | Very high | 96.6 | Very high | 175 Ų | 175 | 61.7 Ų | 61.7 | 82% | 0.818 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.6 | -26.6 | -172.1 | -63.2 | 176.2 | 176.6 | 0 | 0 | 115.2 | ||
| 394 | K | 92.8 | Very high | 96.6 | Very high | 199 Ų | 199 | 61.9 Ų | 61.9 | 87% | 0.865 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -11.4 | 178.6 | -62.8 | -176.9 | -178.3 | 177.4 | 0 | 113.5 | H392 | H392-K394 PolarHBondContact O-N 3.08Å |
| 395 | L | 96.4 | Very high | 96.6 | Very high | 14 Ų | 14 | 59.5 Ų | 59.5 | 7% | 0.073 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 113.1 | -177.9 | -60.1 | -175.6 | 0 | 0 | 0 | 109.6 | V31 F68 P69 F70 V389 H392 | V31-L395 HydrophobicContact CG2-CD2 4.22Å; F68-L395 HydrophobicContact CD1-CD1 3.87Å; F68-L395 HydrophobicContact CD1-CD2 4.18Å; F68-L395 HydrophobicContact CE1-CD1 4.5Å; F68-L395 HydrophobicContact CE1-CD2 4.19Å; P69-L395 VanDerWaalsContact CD-CD1 3.47Å; P69-L395 HydrophobicContact CG-CD1 3.78Å; F70-L395 HydrophobicContact CE1-CB 3.88Å; F70-L395 HydrophobicContact CE1-CD1 4.49Å; F70-L395 HydrophobicContact CZ-CB 4.31Å; V389-L395 HydrophobicContact CB-CB 4.34Å; V389-L395 HydrophobicContact CG2-CB 4.34Å; V389-L395 PolarHBondContact N-O 2.91Å; H392-L395 HydrophobicContact CB-CB 4.02Å; H392-L395 HydrophobicContact CB-CD1 3.81Å; H392-L395 HydrophobicContact CB-CG 4Å; H392-L395 PolarHBondContact O-N 2.9Å |
| 396 | V | 97.7 | Very high | 96.5 | Very high | 46 Ų | 46 | 55.2 Ų | 55.2 | 28% | 0.279 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 125.5 | -178.9 | -175.4 | 0 | 0 | 0 | 0 | 109.8 | D386 Y387 V388 E398 | D386-V396 HydrophobicContact CB-CG1 4.1Å; Y387-V396 CarbonylContact O-C 3.6Å; Y387-V396 WeakPolarHBondContact O-CA 3.35Å; V388-V396 HydrophobicContact CG2-CG2 4.19Å; V396-E398 HydrophobicContact CG1-CG 4.4Å; V396-E398 PolarHBondContact O-N 3.05Å |
| 397 | I | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 101.7 | 165.3 | -55.7 | 174.7 | 0 | 0 | 0 | 106.7 | F70 A81 I83 I92 F100 A383 Y387 V389 T401 V403 | F70-I397 HydrophobicContact CD1-CD1 4.36Å; F70-I397 HydrophobicContact CD1-CG1 4.24Å; F70-I397 HydrophobicContact CE1-CD1 4.44Å; F70-I397 HydrophobicContact CE1-CG1 3.85Å; F70-I397 HydrophobicContact CZ-CG1 4.08Å; A81-I397 HydrophobicContact CB-CD1 4.25Å; A81-I397 HydrophobicContact CB-CG1 4.24Å; A81-I397 HydrophobicContact CB-CG2 4.35Å; I83-I397 HydrophobicContact CD1-CD1 4.31Å; I92-I397 HydrophobicContact CD1-CD1 4.19Å; F100-I397 HydrophobicContact CE1-CG2 4.5Å; A383-I397 HydrophobicContact CB-CG2 3.9Å; Y387-I397 HydrophobicContact CD1-CD1 4.28Å; Y387-I397 PolarHBondContact N-O 3.4Å; Y387-I397 PolarHBondContact O-N 3.21Å; V389-I397 HydrophobicContact CG2-CD1 4.48Å; V389-I397 HydrophobicContact CG2-CG1 4.4Å; I397-T401 HydrophobicContact CG2-CG2 4.13Å; I397-V403 HydrophobicContact CD1-CG2 4.49Å; I397-V403 HydrophobicContact CG2-CG2 4.04Å |
| 398 | E | 97.5 | Very high | 96.4 | Very high | 60 Ų | 60 | 49.2 Ų | 49.2 | 28% | 0.28 | 27% | 0.272 | S | S | . | . | trans | -68.7 | 152.6 | -175.5 | -65 | 175.9 | 166.8 | 0 | 0 | 112.2 | Y25 R29 D386 V396 G400 T401 | Y25-E398 WeakPolarHBondContact CE2-OE2 3.31Å; Y25-E398 VanDerWaalsContact CZ-OE2 3.27Å; Y25-E398 VanDerWaalsContact OH-CD 3.27Å; Y25-E398 PolarHBondContact OH-OE2 3.37Å; R29-E398 IonicContact CZ-OE1 3.12Å; R29-E398 IonicContact CZ-OE2 3.29Å; R29-E398 VanDerWaalsContact CZ-OE2 3.29Å; R29-E398 IonicContact NE-OE1 3.55Å; R29-E398 PolarHBondContact NE-OE1 2.9Å; R29-E398 IonicContact NE-OE2 2.75Å; R29-E398 PolarHBondContact NE-OE2 2.59Å; R29-E398 IonicContact NH2-OE1 2.62Å; R29-E398 PolarHBondContact NH2-OE1 3.08Å; R29-E398 IonicContact NH2-OE2 2.7Å; R29-E398 PolarHBondContact NH2-OE2 3.2Å; D386-E398 WeakPolarHBondContact OD1-CA 3.25Å; V396-E398 HydrophobicContact CG1-CG 4.4Å; V396-E398 PolarHBondContact O-N 3.05Å; E398-G400 PolarHBondContact O-N 2.88Å; E398-T401 WeakPolarHBondContact O-CB 3.31Å; E398-T401 PolarHBondContact O-N 3.39Å; E398-T401 PolarHBondContact O-OG1 2.79Å | ||
| 399 | K | 97.6 | Very high | 96.4 | Very high | 139 Ų | 139 | 45.3 Ų | 45.3 | 60% | 0.604 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | 130.2 | 173.3 | 175.6 | 168.1 | -175.4 | 166.7 | 0 | 111.9 | L384 D386 T401 | L384-K399 VanDerWaalsContact O-CD 3.26Å; L384-K399 WeakPolarHBondContact O-CD 3.39Å; L384-K399 WeakPolarHBondContact O-CE 3.38Å; L384-K399 VanDerWaalsContact O-CG 3.28Å; L384-K399 WeakPolarHBondContact O-CG 3.23Å; D386-K399 WeakPolarHBondContact OD1-CB 3.32Å; D386-K399 PolarHBondContact OD1-N 2.95Å; K399-T401 VanDerWaalsContact C-N 3.27Å; K399-T401 PolarHBondContact O-N 2.97Å |
| 400 | G | 94.8 | Very high | 96.5 | Very high | 37 Ų | 37 | 45.1 Ų | 45.1 | 38% | 0.381 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | -7.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A383 E398 | A383-G400 WeakPolarHBondContact O-CA 3.26Å; A383-G400 PolarHBondContact O-N 3.03Å; E398-G400 PolarHBondContact O-N 2.88Å |
| 401 | T | 96.3 | Very high | 96.6 | Very high | 9 Ų | 9 | 41.8 Ų | 41.8 | 6% | 0.055 | 23% | 0.226 | C | C | . | . | trans | -66.1 | 132.1 | 175 | -55 | 0 | 0 | 0 | 0 | 109.9 | Y25 W26 A81 A383 I397 E398 K399 | Y25-T401 PolarHBondContact OH-OG1 2.88Å; W26-T401 HydrophobicContact CH2-CG2 4.09Å; W26-T401 HydrophobicContact CZ2-CG2 4.22Å; A81-T401 HydrophobicContact CB-CG2 4.38Å; A383-T401 PolarHBondContact N-O 3.45Å; I397-T401 HydrophobicContact CG2-CG2 4.13Å; E398-T401 WeakPolarHBondContact O-CB 3.31Å; E398-T401 PolarHBondContact O-N 3.39Å; E398-T401 PolarHBondContact O-OG1 2.79Å; K399-T401 VanDerWaalsContact C-N 3.27Å; K399-T401 PolarHBondContact O-N 2.97Å | ||
| 402 | Q | 96.2 | Very high | 96.7 | Very high | 38 Ų | 38 | 39.6 Ų | 39.6 | 18% | 0.178 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 145.9 | 172 | -74.6 | -66.7 | -4.8 | 0 | 0 | 109.7 | A80 A81 R103 R381 | A80-Q402 CarbonylContact C-O 3.58Å; A80-Q402 WeakPolarHBondContact CA-O 3.42Å; A80-Q402 HydrophobicContact CB-CB 3.94Å; A80-Q402 WeakPolarHBondContact CB-O 3.38Å; A81-Q402 PolarHBondContact N-O 2.91Å; R103-Q402 PolarHBondContact O-NE2 3.42Å; R103-Q402 PolarHBondContact O-OE1 2.76Å; R381-Q402 CarbonylContact O-C 3.36Å; R381-Q402 PolarHBondContact O-OE1 3Å |
| 403 | V | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 129.1 | -179 | 173.1 | 0 | 0 | 0 | 0 | 107.7 | A81 I83 I92 F100 E380 R381 I397 I405 | A81-V403 HydrophobicContact CB-CG2 4.4Å; A81-V403 CarbonylContact O-C 3.52Å; A81-V403 WeakPolarHBondContact O-CA 3.23Å; I83-V403 HydrophobicContact CD1-CG1 3.8Å; I83-V403 HydrophobicContact CG1-CG1 3.56Å; I92-V403 HydrophobicContact CD1-CG1 3.95Å; I92-V403 HydrophobicContact CG2-CG1 4.29Å; F100-V403 HydrophobicContact CD1-CG2 4.25Å; F100-V403 HydrophobicContact CE1-CG2 4Å; E380-V403 WeakPolarHBondContact CA-O 3.34Å; R381-V403 HydrophobicContact CB-CB 4.05Å; R381-V403 HydrophobicContact CB-CG1 4.44Å; R381-V403 PolarHBondContact N-O 3.48Å; R381-V403 WeakPolarHBondContact O-CB 2.81Å; R381-V403 PolarHBondContact O-N 3.42Å; I397-V403 HydrophobicContact CD1-CG2 4.49Å; I397-V403 HydrophobicContact CG2-CG2 4.04Å; V403-I405 HydrophobicContact CG1-CG1 4.26Å |
| 404 | I | 97.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 32.8 Ų | 32.8 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 120.9 | 179.2 | -61.4 | 171.1 | 0 | 0 | 0 | 107.7 | F56 F73 A80 A81 F82 I83 H378 | F56-I404 HydrophobicContact CE1-CG2 4.22Å; F56-I404 HydrophobicContact CZ-CG2 4.19Å; F73-I404 HydrophobicContact CD1-CD1 3.56Å; F73-I404 HydrophobicContact CE1-CD1 3.85Å; F73-I404 HydrophobicContact CG-CD1 4.36Å; A80-I404 HydrophobicContact CB-CD1 3.82Å; A80-I404 HydrophobicContact CB-CG1 4.19Å; A81-I404 PolarHBondContact O-N 2.65Å; F82-I404 HydrophobicContact CD2-CB 4.01Å; F82-I404 HydrophobicContact CD2-CG2 3.67Å; F82-I404 HydrophobicContact CE2-CG2 3.85Å; I83-I404 PolarHBondContact N-O 3.21Å; H378-I404 HydrophobicContact CB-CG2 3.98Å |
| 405 | I | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 108.8 | 173.7 | -56.3 | 169.6 | 0 | 0 | 0 | 107.1 | I83 A89 I92 L93 H378 L379 V403 A407 Y410 L442 | I83-I405 HydrophobicContact CB-CG1 4.26Å; I83-I405 HydrophobicContact CG1-CG1 3.95Å; A89-I405 HydrophobicContact CB-CD1 4.37Å; A89-I405 HydrophobicContact CB-CG2 3.94Å; I92-I405 HydrophobicContact CG2-CD1 4.13Å; L93-I405 HydrophobicContact CD1-CD1 3.88Å; L93-I405 HydrophobicContact CD2-CD1 3.6Å; L93-I405 HydrophobicContact CG-CD1 3.57Å; H378-I405 CarbonylContact C-O 3.38Å; H378-I405 WeakPolarHBondContact CA-O 3.38Å; H378-I405 WeakPolarHBondContact CB-O 3.46Å; L379-I405 HydrophobicContact CB-CB 4.2Å; L379-I405 PolarHBondContact N-O 2.93Å; L379-I405 PolarHBondContact O-N 3.31Å; V403-I405 HydrophobicContact CG1-CG1 4.26Å; I405-A407 VanDerWaalsContact C-N 3.33Å; I405-A407 PolarHBondContact O-N 3.46Å; I405-Y410 HydrophobicContact CG2-CD2 4.45Å; I405-Y410 HydrophobicContact CG2-CE2 3.66Å; I405-L442 HydrophobicContact CG2-CD1 3.95Å |
| 406 | P | 97.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -81 | 76 | -171.5 | 35.8 | -38.5 | 0 | 0 | 0 | 111.5 | F56 Y60 F82 I83 C408 A409 Y410 | F56-P406 HydrophobicContact CB-CB 4.45Å; Y60-P406 HydrophobicContact CD2-CG 4.03Å; F82-P406 HydrophobicContact CD1-CG 4.49Å; F82-P406 HydrophobicContact CE1-CB 4.12Å; F82-P406 HydrophobicContact CE1-CG 3.66Å; F82-P406 HydrophobicContact CE2-CB 3.89Å; F82-P406 HydrophobicContact CE2-CG 4.21Å; F82-P406 HydrophobicContact CZ-CB 3.42Å; F82-P406 VanDerWaalsContact CZ-CB 3.42Å; F82-P406 HydrophobicContact CZ-CG 3.5Å; I83-P406 WeakPolarHBondContact O-CD 3.12Å; I83-P406 WeakPolarHBondContact O-CG 3.26Å; P406-C408 PolarHBondContact O-N 3.37Å; P406-A409 HydrophobicContact CB-CB 3.88Å; P406-A409 HydrophobicContact CG-CB 4.21Å; P406-A409 WeakPolarHBondContact O-CA 3.19Å; P406-A409 WeakPolarHBondContact O-CB 3.4Å; P406-A409 PolarHBondContact O-N 2.88Å; P406-Y410 HydrophobicContact CG-CD1 4.16Å; P406-Y410 HydrophobicContact CG-CE1 3.73Å; P406-Y410 PolarHBondContact O-N 2.86Å | ||
| 407 | A | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -50.3 | -43.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T374 P377 I405 A409 Y410 H411 L442 | T374-A407 HydrophobicContact CG2-CB 4.14Å; P377-A407 PolarHBondContact O-N 2.91Å; P377-A407 VanDerWaalsContact O-N 3.14Å; I405-A407 VanDerWaalsContact C-N 3.33Å; I405-A407 PolarHBondContact O-N 3.46Å; A407-A409 PolarHBondContact O-N 2.94Å; A407-Y410 PolarHBondContact O-N 2.84Å; A407-H411 WeakPolarHBondContact O-CB 3.37Å; A407-H411 PolarHBondContact O-CD2 3.45Å; A407-H411 VanDerWaalsContact O-CD2 3.27Å; A407-H411 PolarHBondContact O-N 3.47Å; A407-L442 HydrophobicContact CB-CB 3.87Å; A407-L442 HydrophobicContact CB-CD1 4.49Å |
| 408 | C | 96.7 | Very high | 97 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56 | -35.9 | 175.4 | 58.8 | 0 | 0 | 0 | 0 | 114 | H53 P377 P406 | H53-C408 WeakPolarHBondContact CE1-CB 3.43Å; H53-C408 WeakPolarHBondContact ND1-CB 3.49Å; H53-C408 WeakPolarHBondContact NE2-CB 3.05Å; P377-C408 HydrophobicContact CB-CB 3.88Å; P377-C408 WeakPolarHBondContact O-CB 3.31Å; P377-C408 PolarHBondContact O-N 3.46Å; P377-C408 PolarHBondContact O-SG 3.33Å; P406-C408 PolarHBondContact O-N 3.37Å |
| 409 | A | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -81 | -39.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y57 Y60 P406 A407 H411 R412 D413 | Y57-A409 HydrophobicContact CD2-CB 4.28Å; Y60-A409 VanDerWaalsContact CB-CB 3.5Å; Y60-A409 HydrophobicContact CD1-CB 3.64Å; Y60-A409 HydrophobicContact CD2-CB 4.26Å; Y60-A409 HydrophobicContact CE1-CB 4.44Å; Y60-A409 HydrophobicContact CG-CB 3.53Å; P406-A409 HydrophobicContact CB-CB 3.88Å; P406-A409 HydrophobicContact CG-CB 4.21Å; P406-A409 WeakPolarHBondContact O-CA 3.19Å; P406-A409 WeakPolarHBondContact O-CB 3.4Å; P406-A409 PolarHBondContact O-N 2.88Å; A407-A409 PolarHBondContact O-N 2.94Å; A409-H411 VanDerWaalsContact C-N 3.26Å; A409-H411 PolarHBondContact O-N 2.97Å; A409-R412 CarbonylContact O-C 3.5Å; A409-R412 PolarHBondContact O-N 3.12Å; A409-D413 PolarHBondContact O-N 3.02Å |
| 410 | Y | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.2 | -41.8 | 173.3 | -65.9 | 0.2 | 0 | 0 | 0 | 110.9 | Y60 I83 D85 T86 A89 I405 P406 A407 R412 D413 Y417 L442 | Y60-Y410 HydrophobicContact CD2-CD1 4.35Å; Y60-Y410 HydrophobicContact CD2-CE1 4.11Å; Y60-Y410 AromaticContact CE2-CD1 3.76Å; Y60-Y410 HydrophobicContact CE2-CD1 3.76Å; Y60-Y410 AromaticContact CE2-CE1 3.53Å; Y60-Y410 HydrophobicContact CE2-CE1 3.53Å; Y60-Y410 AromaticContact CZ-CD1 3.93Å; I83-Y410 WeakPolarHBondContact CG2-OH 3.35Å; I83-Y410 PolarHBondContact O-OH 3.41Å; D85-Y410 PolarHBondContact O-OH 3.43Å; T86-Y410 HydrophobicContact CG2-CD2 4.04Å; T86-Y410 HydrophobicContact CG2-CE2 3.96Å; T86-Y410 HydrophobicContact CG2-CG 4.37Å; A89-Y410 HydrophobicContact CB-CE2 3.97Å; I405-Y410 HydrophobicContact CG2-CD2 4.45Å; I405-Y410 HydrophobicContact CG2-CE2 3.66Å; P406-Y410 HydrophobicContact CG-CD1 4.16Å; P406-Y410 HydrophobicContact CG-CE1 3.73Å; P406-Y410 PolarHBondContact O-N 2.86Å; A407-Y410 PolarHBondContact O-N 2.84Å; Y410-R412 PolarHBondContact O-N 3.19Å; Y410-R412 VanDerWaalsContact O-N 3.14Å; Y410-D413 PolarHBondContact O-N 3.4Å; Y410-Y417 WeakPolarHBondContact O-CD2 3.14Å; Y410-Y417 WeakPolarHBondContact O-CE2 3.39Å; Y410-L442 HydrophobicContact CD2-CD1 3.96Å; Y410-L442 HydrophobicContact CE2-CD1 4.25Å |
| 411 | H | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -14.4 | 178.2 | -69.1 | -178.6 | 0 | 0 | 0 | 114.2 | R371 T374 A407 A409 L442 | R371-H411 HydrophobicContact CG-CB 3.75Å; R371-H411 WeakPolarHBondContact CG-O 3.47Å; R371-H411 PolarHBondContact NH1-O 3.27Å; R371-H411 WeakPolarHBondContact O-CB 3.35Å; R371-H411 PolarHBondContact O-ND1 3.42Å; T374-H411 PolarHBondContact OG1-ND1 2.84Å; A407-H411 WeakPolarHBondContact O-CB 3.37Å; A407-H411 PolarHBondContact O-CD2 3.45Å; A407-H411 VanDerWaalsContact O-CD2 3.27Å; A407-H411 PolarHBondContact O-N 3.47Å; A409-H411 VanDerWaalsContact C-N 3.26Å; A409-H411 PolarHBondContact O-N 2.97Å; H411-L442 PolarHBondContact NE2-N 3.14Å |
| 412 | R | 96.9 | Very high | 97.1 | Very high | 35 Ų | 35 | 35 Ų | 35 | 13% | 0.132 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 12.4 | 179.2 | -67.3 | 176 | 174.6 | -108.3 | -4.3 | 112.6 | Y57 L372 A409 Y410 E414 P420 E421 | Y57-R412 HydrophobicContact CD2-CB 3.91Å; Y57-R412 HydrophobicContact CE2-CB 3.44Å; Y57-R412 VanDerWaalsContact CE2-CB 3.44Å; Y57-R412 WeakPolarHBondContact CE2-O 3.29Å; Y57-R412 PolarHBondContact OH-O 2.64Å; L372-R412 PolarHBondContact O-NH2 3.22Å; A409-R412 CarbonylContact O-C 3.5Å; A409-R412 PolarHBondContact O-N 3.12Å; Y410-R412 PolarHBondContact O-N 3.19Å; Y410-R412 VanDerWaalsContact O-N 3.14Å; R412-E414 PolarHBondContact O-N 3.27Å; R412-P420 HydrophobicContact CB-CB 4.35Å; R412-P420 WeakPolarHBondContact O-CB 3.37Å; R412-P420 WeakPolarHBondContact O-CG 3.32Å; R412-E421 IonicContact CZ-OE1 3.64Å; R412-E421 IonicContact CZ-OE2 3.45Å; R412-E421 IonicContact NH1-OE1 2.74Å; R412-E421 PolarHBondContact NH1-OE1 3.48Å; R412-E421 IonicContact NH1-OE2 3.71Å; R412-E421 PolarHBondContact NH1-OE2 2.86Å |
| 413 | D | 97.3 | Very high | 97.2 | Very high | 8 Ų | 8 | 33.8 Ų | 33.8 | 4% | 0.043 | 18% | 0.179 | C | C | . | . | trans | -73.1 | 121.2 | 173.4 | -172.4 | -5.3 | 0 | 0 | 0 | 109 | Y60 R64 A409 Y410 D415 L416 Y417 | Y60-D413 HydrophobicContact CE1-CB 4.05Å; Y60-D413 PolarHBondContact OH-OD2 3.36Å; R64-D413 IonicContact CZ-OD1 2.64Å; R64-D413 IonicContact NE-OD1 3.85Å; R64-D413 PolarHBondContact NE-OD1 3.31Å; R64-D413 IonicContact NE-OD2 2.64Å; R64-D413 IonicContact NH1-OD1 2.78Å; R64-D413 PolarHBondContact NH1-OD1 3.42Å; R64-D413 IonicContact NH2-OD1 2.71Å; R64-D413 PolarHBondContact NH2-OD1 3.21Å; A409-D413 PolarHBondContact O-N 3.02Å; Y410-D413 PolarHBondContact O-N 3.4Å; D413-D415 PolarHBondContact O-N 3.06Å; D413-D415 WeakPolarHBondContact OD1-CB 3.26Å; D413-D415 PolarHBondContact OD1-N 3.45Å; D413-L416 HydrophobicContact CB-CB 4.24Å; D413-L416 HydrophobicContact CB-CD1 4.09Å; D413-L416 HydrophobicContact CB-CG 4.06Å; D413-L416 PolarHBondContact O-N 2.87Å; D413-Y417 PolarHBondContact O-N 3.07Å | ||
| 414 | E | 96.7 | Very high | 97.2 | Very high | 99 Ų | 99 | 36.1 Ų | 36.1 | 46% | 0.463 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -24.4 | 178 | 67.1 | -170.9 | 169.8 | 0 | 0 | 112.8 | R64 K65 R412 L416 Y417 P420 | R64-E414 IonicContact CZ-OE1 3.53Å; R64-E414 IonicContact NH1-OE1 3.56Å; R64-E414 IonicContact NH2-OE1 2.81Å; R64-E414 PolarHBondContact NH2-OE1 3.42Å; K65-E414 IonicContact NZ-OE1 3.77Å; R412-E414 PolarHBondContact O-N 3.27Å; E414-L416 VanDerWaalsContact C-N 3.31Å; E414-Y417 CarbonylContact O-C 3.4Å; E414-P420 HydrophobicContact CB-CG 4.31Å |
| 415 | D | 95.3 | Very high | 97.3 | Very high | 101 Ų | 101 | 36 Ų | 36 | 54% | 0.54 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -27.2 | 177.7 | -61.5 | -37.8 | 0 | 0 | 0 | 110.8 | R64 K65 D413 | R64-D415 IonicContact CZ-OD2 3.72Å; R64-D415 IonicContact NE-OD2 3.17Å; R64-D415 PolarHBondContact NE-OD2 3.35Å; R64-D415 IonicContact NH2-OD1 2.65Å; R64-D415 IonicContact NH2-OD2 3.76Å; R64-D415 PolarHBondContact NH2-OD2 2.95Å; K65-D415 WeakPolarHBondContact CE-OD2 3.38Å; K65-D415 IonicContact NZ-OD2 2.64Å; D413-D415 PolarHBondContact O-N 3.06Å; D413-D415 WeakPolarHBondContact OD1-CB 3.26Å; D413-D415 PolarHBondContact OD1-N 3.45Å |
| 416 | L | 96.3 | Very high | 97.3 | Very high | 43 Ų | 43 | 38.9 Ų | 38.9 | 23% | 0.225 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -36.4 | 176.2 | -58.3 | 179.8 | 0 | 0 | 0 | 112.5 | T86 D413 E414 E440 | T86-L416 HydrophobicContact CG2-CD1 4.08Å; D413-L416 HydrophobicContact CB-CB 4.24Å; D413-L416 HydrophobicContact CB-CD1 4.09Å; D413-L416 HydrophobicContact CB-CG 4.06Å; D413-L416 PolarHBondContact O-N 2.87Å; E414-L416 VanDerWaalsContact C-N 3.31Å; L416-E440 HydrophobicContact CD1-CB 4.24Å; L416-E440 HydrophobicContact CD1-CG 4.11Å; L416-E440 HydrophobicContact CD2-CG 4.03Å |
| 417 | Y | 97.1 | Very high | 97.3 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -133.6 | 89.6 | -175.4 | -59.6 | -80.2 | 0 | 0 | 0 | 110.1 | R371 Y410 D413 E414 N419 P420 E440 | R371-Y417 VanDerWaalsContact CD-CD1 3.42Å; R371-Y417 VanDerWaalsContact CD-CE1 3.47Å; R371-Y417 HydrophobicContact CG-CE1 4.32Å; Y410-Y417 WeakPolarHBondContact O-CD2 3.14Å; Y410-Y417 WeakPolarHBondContact O-CE2 3.39Å; D413-Y417 PolarHBondContact O-N 3.07Å; E414-Y417 CarbonylContact O-C 3.4Å; Y417-N419 PolarHBondContact O-N 2.83Å; Y417-P420 WeakPolarHBondContact O-CA 3.35Å; Y417-P420 WeakPolarHBondContact O-CB 2.83Å; Y417-P420 VanDerWaalsContact O-CD 3.29Å; Y417-P420 WeakPolarHBondContact O-CD 3.44Å; Y417-E440 WeakPolarHBondContact CE2-O 3.48Å; Y417-E440 PolarHBondContact OH-O 3.19Å |
| 418 | P | 96.2 | Very high | 97.3 | Very high | 80 Ų | 80 | 40.5 Ų | 40.5 | 52% | 0.519 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -57.8 | 134.7 | -179.9 | -26.3 | 34.5 | 0 | 0 | 0 | 111.9 | R427 | P418-R427 PolarHBondContact O-NH1 3.06Å; P418-R427 PolarHBondContact O-NH2 3.13Å |
| 419 | N | 97.1 | Very high | 97.3 | Very high | 123 Ų | 123 | 41 Ų | 41 | 66% | 0.658 | 21% | 0.214 | S | C | * | . | S | Bend | trans | 54.9 | 60.9 | -168.9 | -53.7 | -53.3 | 0 | 0 | 0 | 112.3 | Y417 E421 T422 R427 | Y417-N419 PolarHBondContact O-N 2.83Å; N419-E421 PolarHBondContact O-N 3.02Å; N419-T422 PolarHBondContact O-N 3.44Å; N419-T422 VanDerWaalsContact O-N 3.08Å; N419-R427 PolarHBondContact O-NH2 3.48Å |
| 420 | P | 96.9 | Very high | 97.3 | Very high | 15 Ų | 15 | 44.5 Ų | 44.5 | 10% | 0.097 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -16.8 | -166 | 24.2 | -33.7 | 0 | 0 | 0 | 114.3 | R371 L372 R412 E414 Y417 | R371-P420 VanDerWaalsContact CZ-O 3.26Å; R371-P420 PolarHBondContact NH1-O 3.41Å; R371-P420 PolarHBondContact NH2-O 3.33Å; L372-P420 VanDerWaalsContact CD2-O 3.25Å; L372-P420 WeakPolarHBondContact CD2-O 3.43Å; R412-P420 HydrophobicContact CB-CB 4.35Å; R412-P420 WeakPolarHBondContact O-CB 3.37Å; R412-P420 WeakPolarHBondContact O-CG 3.32Å; E414-P420 HydrophobicContact CB-CG 4.31Å; Y417-P420 WeakPolarHBondContact O-CA 3.35Å; Y417-P420 WeakPolarHBondContact O-CB 2.83Å; Y417-P420 VanDerWaalsContact O-CD 3.29Å; Y417-P420 WeakPolarHBondContact O-CD 3.44Å |
| 421 | E | 95.7 | Very high | 97.2 | Very high | 107 Ų | 107 | 50.8 Ų | 50.8 | 50% | 0.5 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -12 | 179.4 | -61.5 | -58.9 | 138.2 | 0 | 0 | 113.3 | R412 N419 | R412-E421 IonicContact CZ-OE1 3.64Å; R412-E421 IonicContact CZ-OE2 3.45Å; R412-E421 IonicContact NH1-OE1 2.74Å; R412-E421 PolarHBondContact NH1-OE1 3.48Å; R412-E421 IonicContact NH1-OE2 3.71Å; R412-E421 PolarHBondContact NH1-OE2 2.86Å; N419-E421 PolarHBondContact O-N 3.02Å |
| 422 | T | 97.5 | Very high | 97.2 | Very high | 80 Ų | 80 | 55.5 Ų | 55.5 | 49% | 0.491 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -82.8 | 130 | 179.3 | -55.9 | 0 | 0 | 0 | 0 | 110.8 | E368 R371 N419 D424 | E368-T422 VanDerWaalsContact OE1-O 3.05Å; R371-T422 PolarHBondContact NH2-O 2.57Å; N419-T422 PolarHBondContact O-N 3.44Å; N419-T422 VanDerWaalsContact O-N 3.08Å; T422-D424 PolarHBondContact O-N 3.47Å; T422-D424 VanDerWaalsContact O-N 3.17Å |
| 423 | F | 98.6 | Very high | 97.2 | Very high | 12 Ų | 12 | 57.1 Ų | 57.1 | 5% | 0.053 | 30% | 0.301 | C | S | . | . | trans | -72.9 | 98.6 | 171 | -171.7 | -96.1 | 0 | 0 | 0 | 110.2 | E325 I332 V365 E368 L372 P425 | E325-F423 HydrophobicContact CB-CD1 4.18Å; E325-F423 HydrophobicContact CB-CD2 3.7Å; E325-F423 HydrophobicContact CB-CE1 4.15Å; E325-F423 HydrophobicContact CB-CE2 3.72Å; E325-F423 HydrophobicContact CB-CG 3.98Å; E325-F423 HydrophobicContact CB-CZ 3.95Å; E325-F423 HydrophobicContact CG-CD2 3.49Å; E325-F423 VanDerWaalsContact CG-CD2 3.49Å; E325-F423 HydrophobicContact CG-CE2 3.77Å; E325-F423 HydrophobicContact CG-CG 4.07Å; E325-F423 HydrophobicContact CG-CZ 4.5Å; I332-F423 HydrophobicContact CD1-CD1 3.74Å; I332-F423 HydrophobicContact CD1-CE1 4.15Å; I332-F423 HydrophobicContact CG2-CE1 4.21Å; V365-F423 HydrophobicContact CG1-CE1 4.41Å; V365-F423 HydrophobicContact CG1-CZ 3.94Å; E368-F423 HydrophobicContact CB-CE2 4.15Å; E368-F423 HydrophobicContact CB-CZ 4.42Å; E368-F423 HydrophobicContact CG-CD2 3.72Å; E368-F423 HydrophobicContact CG-CE2 3.77Å; E368-F423 HydrophobicContact CG-CG 4.14Å; E368-F423 HydrophobicContact CG-CZ 4.27Å; L372-F423 HydrophobicContact CD1-CB 3.82Å; L372-F423 HydrophobicContact CD1-CD2 3.57Å; L372-F423 HydrophobicContact CD1-CG 4.17Å; F423-P425 HydrophobicContact CD1-CG 4.32Å; F423-P425 HydrophobicContact CE1-CG 3.84Å; F423-P425 HydrophobicContact CZ-CG 4.46Å | ||
| 424 | D | 98.4 | Very high | 97.2 | Very high | 48 Ų | 48 | 61 Ų | 61 | 26% | 0.257 | 33% | 0.333 | S | S | . | . | trans | -127.2 | 97.4 | -178.7 | 174.7 | 19.4 | 0 | 0 | 0 | 111.5 | E368 T422 E426 R427 | E368-D424 VanDerWaalsContact CD-O 3.31Å; E368-D424 PolarHBondContact OE1-N 2.81Å; T422-D424 PolarHBondContact O-N 3.47Å; T422-D424 VanDerWaalsContact O-N 3.17Å; D424-E426 PolarHBondContact O-N 2.72Å; D424-E426 VanDerWaalsContact OD1-CB 3.23Å; D424-E426 WeakPolarHBondContact OD1-CB 3.38Å; D424-E426 PolarHBondContact OD1-N 2.72Å; D424-R427 HydrophobicContact CB-CG 4.16Å; D424-R427 WeakPolarHBondContact O-CB 3.36Å; D424-R427 VanDerWaalsContact O-CG 3.31Å; D424-R427 WeakPolarHBondContact O-CG 3.47Å; D424-R427 PolarHBondContact O-N 2.92Å | ||
| 425 | P | 98.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.013 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -57.2 | -27.1 | 175.4 | -26.9 | 35.9 | 0 | 0 | 0 | 114 | I332 Y361 Q364 V365 F423 R427 F428 | I332-P425 HydrophobicContact CD1-CG 4.21Å; I332-P425 HydrophobicContact CG2-CG 3.89Å; Y361-P425 HydrophobicContact CE2-CB 3.86Å; Q364-P425 HydrophobicContact CB-CB 3.98Å; Q364-P425 WeakPolarHBondContact CB-O 3.43Å; V365-P425 HydrophobicContact CG2-CB 4.06Å; V365-P425 HydrophobicContact CG2-CG 3.84Å; F423-P425 HydrophobicContact CD1-CG 4.32Å; F423-P425 HydrophobicContact CE1-CG 3.84Å; F423-P425 HydrophobicContact CZ-CG 4.46Å; P425-R427 PolarHBondContact O-N 2.79Å; P425-F428 PolarHBondContact O-N 2.76Å |
| 426 | E | 98 | Very high | 97.1 | Very high | 62 Ų | 62 | 57.6 Ų | 57.6 | 29% | 0.29 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -65.9 | -13.2 | -178.9 | -63.8 | -61.9 | 145.7 | 0 | 0 | 112.7 | R335 D424 F428 S429 K432 | R335-E426 IonicContact CZ-OE1 3.19Å; R335-E426 IonicContact NH1-OE1 3.11Å; R335-E426 PolarHBondContact NH1-OE1 3.47Å; R335-E426 IonicContact NH2-OE1 3.62Å; R335-E426 PolarHBondContact NH2-OE1 3.06Å; D424-E426 PolarHBondContact O-N 2.72Å; D424-E426 VanDerWaalsContact OD1-CB 3.23Å; D424-E426 WeakPolarHBondContact OD1-CB 3.38Å; D424-E426 PolarHBondContact OD1-N 2.72Å; E426-F428 PolarHBondContact O-N 3.07Å; E426-S429 PolarHBondContact O-N 2.98Å; E426-K432 VanDerWaalsContact O-CD 3.28Å; E426-K432 WeakPolarHBondContact O-CD 2.92Å; E426-K432 WeakPolarHBondContact O-CE 3.46Å; E426-K432 PolarHBondContact O-NZ 2.66Å |
| 427 | R | 97.8 | Very high | 97.2 | Very high | 21 Ų | 21 | 59.3 Ų | 59.3 | 8% | 0.079 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -60.3 | -22.9 | 168.1 | -65.2 | 178.2 | -166.3 | -72.1 | -3.8 | 112.4 | E368 P418 N419 D424 P425 K432 R436 | E368-R427 IonicContact OE1-NE 3.42Å; E368-R427 WeakPolarHBondContact OE2-CD 3.4Å; P418-R427 PolarHBondContact O-NH1 3.06Å; P418-R427 PolarHBondContact O-NH2 3.13Å; N419-R427 PolarHBondContact O-NH2 3.48Å; D424-R427 HydrophobicContact CB-CG 4.16Å; D424-R427 WeakPolarHBondContact O-CB 3.36Å; D424-R427 VanDerWaalsContact O-CG 3.31Å; D424-R427 WeakPolarHBondContact O-CG 3.47Å; D424-R427 PolarHBondContact O-N 2.92Å; P425-R427 PolarHBondContact O-N 2.79Å; R427-K432 WeakPolarHBondContact O-CB 3.25Å; R427-R436 PolarHBondContact O-NH2 3.46Å |
| 428 | F | 98.4 | Very high | 97.1 | Very high | 12 Ų | 12 | 62.1 Ų | 62.1 | 5% | 0.053 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -108.3 | 20 | -176.7 | -69.9 | -86.4 | 0 | 0 | 0 | 113 | Q364 S367 E368 R371 P425 E426 V433 W441 | Q364-F428 HydrophobicContact CB-CB 4.17Å; Q364-F428 HydrophobicContact CG-CB 4.09Å; Q364-F428 WeakPolarHBondContact CG-O 3.49Å; S367-F428 VanDerWaalsContact CB-CG 3.46Å; E368-F428 HydrophobicContact CB-CD2 3.99Å; E368-F428 HydrophobicContact CB-CE2 4.14Å; E368-F428 VanDerWaalsContact OE2-CE2 3.25Å; E368-F428 WeakPolarHBondContact OE2-CE2 3.3Å; R371-F428 HydrophobicContact CB-CE2 4.16Å; R371-F428 HydrophobicContact CB-CZ 4.07Å; P425-F428 PolarHBondContact O-N 2.76Å; E426-F428 PolarHBondContact O-N 3.07Å; F428-V433 HydrophobicContact CB-CG2 4.23Å; F428-V433 HydrophobicContact CD1-CG2 4Å; F428-V433 WeakPolarHBondContact O-CG2 3.41Å; F428-W441 AromaticContact CE1-CD1 3.48Å; F428-W441 VanDerWaalsContact CE1-CD1 3.48Å; F428-W441 AromaticContact CE1-CD2 3.86Å; F428-W441 HydrophobicContact CE1-CD2 3.86Å; F428-W441 AromaticContact CE1-CE2 3.56Å; F428-W441 AromaticContact CE1-CG 3.77Å; F428-W441 HydrophobicContact CE1-CG 3.77Å; F428-W441 HydrophobicContact CE1-CZ2 4.24Å; F428-W441 AromaticContact CE1-NE1 3.31Å; F428-W441 VanDerWaalsContact CE1-NE1 3.31Å; F428-W441 AromaticContact CZ-CD1 3.34Å; F428-W441 HydrophobicContact CZ-CD2 4.46Å; F428-W441 AromaticContact CZ-CE2 3.95Å; F428-W441 HydrophobicContact CZ-CG 4.08Å; F428-W441 AromaticContact CZ-NE1 3.21Å |
| 429 | S | 97.7 | Very high | 97.1 | Very high | 12 Ų | 12 | 58.3 Ų | 58.3 | 8% | 0.084 | 33% | 0.33 | C | S | . | . | trans | -53.6 | 147.5 | 168.2 | 94.5 | 0 | 0 | 0 | 0 | 110.7 | E426 E431 K432 V433 | E426-S429 PolarHBondContact O-N 2.98Å; S429-E431 WeakPolarHBondContact CB-OE2 3.48Å; S429-E431 PolarHBondContact O-N 2.82Å; S429-E431 VanDerWaalsContact O-N 3.1Å; S429-E431 PolarHBondContact OG-OE2 3.4Å; S429-K432 PolarHBondContact O-N 2.61Å; S429-K432 VanDerWaalsContact O-N 3.08Å; S429-K432 PolarHBondContact OG-N 2.86Å; S429-V433 WeakPolarHBondContact O-CG2 3.35Å; S429-V433 PolarHBondContact O-N 3.04Å | ||
| 430 | P | 96.5 | Very high | 97.1 | Very high | 73 Ų | 73 | 54.2 Ų | 54.2 | 47% | 0.474 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -50.9 | -38.4 | -178.9 | -28.5 | 36.2 | 0 | 0 | 0 | 113.3 | T360 A434 | T360-P430 HydrophobicContact CG2-CG 4.37Å; P430-A434 VanDerWaalsContact O-CB 3.3Å; P430-A434 WeakPolarHBondContact O-CB 3.4Å; P430-A434 PolarHBondContact O-N 2.89Å |
| 431 | E | 96.9 | Very high | 97.2 | Very high | 131 Ų | 131 | 56 Ų | 56 | 61% | 0.612 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -67.8 | -47.2 | 179.9 | -53.3 | 71 | -151.4 | 0 | 0 | 111.4 | S429 A434 A435 | S429-E431 WeakPolarHBondContact CB-OE2 3.48Å; S429-E431 PolarHBondContact O-N 2.82Å; S429-E431 VanDerWaalsContact O-N 3.1Å; S429-E431 PolarHBondContact OG-OE2 3.4Å; E431-A434 PolarHBondContact O-N 3.17Å; E431-A435 WeakPolarHBondContact O-CB 3.47Å; E431-A435 PolarHBondContact O-N 3.05Å |
| 432 | K | 97.1 | Very high | 97.3 | Very high | 99 Ų | 99 | 51 Ų | 51 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.9 | -35.8 | 178.6 | -69.6 | -170.9 | -164.9 | 156.5 | 0 | 112.1 | E426 R427 S429 A435 R436 | E426-K432 VanDerWaalsContact O-CD 3.28Å; E426-K432 WeakPolarHBondContact O-CD 2.92Å; E426-K432 WeakPolarHBondContact O-CE 3.46Å; E426-K432 PolarHBondContact O-NZ 2.66Å; R427-K432 WeakPolarHBondContact O-CB 3.25Å; S429-K432 PolarHBondContact O-N 2.61Å; S429-K432 VanDerWaalsContact O-N 3.08Å; S429-K432 PolarHBondContact OG-N 2.86Å; K432-A435 PolarHBondContact O-N 2.66Å; K432-R436 WeakPolarHBondContact O-CB 3.28Å; K432-R436 PolarHBondContact O-N 3.45Å |
| 433 | V | 97 | Very high | 97.3 | Very high | 70 Ų | 70 | 48.2 Ų | 48.2 | 42% | 0.424 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 174.6 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | F428 S429 A435 R436 | F428-V433 HydrophobicContact CB-CG2 4.23Å; F428-V433 HydrophobicContact CD1-CG2 4Å; F428-V433 WeakPolarHBondContact O-CG2 3.41Å; S429-V433 WeakPolarHBondContact O-CG2 3.35Å; S429-V433 PolarHBondContact O-N 3.04Å; V433-A435 VanDerWaalsContact C-N 3.31Å; V433-A435 PolarHBondContact O-N 3.11Å; V433-R436 PolarHBondContact O-N 3.11Å |
| 434 | A | 96.6 | Very high | 97.2 | Very high | 88 Ų | 88 | 49.5 Ų | 49.5 | 73% | 0.727 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -66.4 | -32.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P430 E431 | P430-A434 VanDerWaalsContact O-CB 3.3Å; P430-A434 WeakPolarHBondContact O-CB 3.4Å; P430-A434 PolarHBondContact O-N 2.89Å; E431-A434 PolarHBondContact O-N 3.17Å |
| 435 | A | 96.3 | Very high | 97.2 | Very high | 89 Ų | 89 | 47.9 Ų | 47.9 | 74% | 0.736 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -80.4 | -15.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E431 K432 V433 | E431-A435 WeakPolarHBondContact O-CB 3.47Å; E431-A435 PolarHBondContact O-N 3.05Å; K432-A435 PolarHBondContact O-N 2.66Å; V433-A435 VanDerWaalsContact C-N 3.31Å; V433-A435 PolarHBondContact O-N 3.11Å |
| 436 | R | 95.4 | Very high | 97.1 | Very high | 41 Ų | 41 | 49.3 Ų | 49.3 | 16% | 0.155 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -86 | 141.7 | -176.1 | -168.4 | -174.6 | -70.5 | 132.7 | 11 | 111.4 | R427 K432 V433 E440 | R427-R436 PolarHBondContact O-NH2 3.46Å; K432-R436 WeakPolarHBondContact O-CB 3.28Å; K432-R436 PolarHBondContact O-N 3.45Å; V433-R436 PolarHBondContact O-N 3.11Å; R436-E440 HydrophobicContact CG-CB 3.89Å; R436-E440 WeakPolarHBondContact CG-OE2 3.26Å |
| 437 | E | 96.5 | Very high | 97.1 | Very high | 79 Ų | 79 | 47 Ų | 47 | 37% | 0.369 | 27% | 0.272 | S | S | . | . | trans | -69.6 | 134.6 | 166.9 | -74 | -69.1 | 178.7 | 0 | 0 | 111 | K90 V439 E440 | K90-E437 IonicContact NZ-OE1 2.88Å; K90-E437 PolarHBondContact NZ-OE1 3.39Å; K90-E437 VanDerWaalsContact NZ-OE1 3.12Å; K90-E437 IonicContact NZ-OE2 3.29Å; K90-E437 PolarHBondContact NZ-OE2 3.24Å; E437-V439 HydrophobicContact CB-CG2 4.39Å; E437-V439 PolarHBondContact O-N 3.3Å; E437-E440 HydrophobicContact CB-CG 4.01Å; E437-E440 WeakPolarHBondContact O-CB 3.38Å; E437-E440 PolarHBondContact O-N 3Å | ||
| 438 | S | 95 | Very high | 97.1 | Very high | 60 Ų | 60 | 49.1 Ų | 49.1 | 42% | 0.42 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -57.7 | -31.8 | -173.7 | 62.8 | 0 | 0 | 0 | 0 | 113.2 | E440 W441 D446 | S438-E440 VanDerWaalsContact C-N 3.26Å; S438-E440 PolarHBondContact O-N 2.81Å; S438-W441 CarbonylContact O-C 3.52Å; S438-W441 PolarHBondContact O-N 3.46Å; S438-D446 WeakPolarHBondContact CB-OD2 3.17Å; S438-D446 PolarHBondContact OG-OD2 3.32Å |
| 439 | V | 97 | Very high | 97 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -76.6 | -6.2 | 179.9 | -65.3 | 0 | 0 | 0 | 0 | 115.1 | K90 L93 I94 E437 W441 L442 D446 | K90-V439 HydrophobicContact CB-CG1 3.95Å; K90-V439 HydrophobicContact CB-CG2 3.91Å; K90-V439 HydrophobicContact CG-CG1 4.33Å; L93-V439 HydrophobicContact CD1-CG1 4.24Å; I94-V439 HydrophobicContact CD1-CG1 4.16Å; E437-V439 HydrophobicContact CB-CG2 4.39Å; E437-V439 PolarHBondContact O-N 3.3Å; V439-W441 VanDerWaalsContact C-N 3.26Å; V439-L442 HydrophobicContact CB-CD2 4.37Å; V439-L442 HydrophobicContact CG1-CD2 4.43Å; V439-L442 VanDerWaalsContact O-CD1 3.27Å; V439-L442 WeakPolarHBondContact O-CD1 3.34Å; V439-L442 VanDerWaalsContact O-CG 3.27Å; V439-L442 WeakPolarHBondContact O-CG 3.41Å; V439-D446 HydrophobicContact CG1-CB 4.49Å |
| 440 | E | 97.5 | Very high | 97 | Very high | 37 Ų | 37 | 50.1 Ų | 50.1 | 17% | 0.173 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -81.2 | -13.1 | 171.7 | -62.3 | 172.5 | -178.7 | 0 | 0 | 111.1 | T86 L416 Y417 R436 E437 S438 | T86-E440 HydrophobicContact CG2-CG 4.35Å; L416-E440 HydrophobicContact CD1-CB 4.24Å; L416-E440 HydrophobicContact CD1-CG 4.11Å; L416-E440 HydrophobicContact CD2-CG 4.03Å; Y417-E440 WeakPolarHBondContact CE2-O 3.48Å; Y417-E440 PolarHBondContact OH-O 3.19Å; R436-E440 HydrophobicContact CG-CB 3.89Å; R436-E440 WeakPolarHBondContact CG-OE2 3.26Å; E437-E440 HydrophobicContact CB-CG 4.01Å; E437-E440 WeakPolarHBondContact O-CB 3.38Å; E437-E440 PolarHBondContact O-N 3Å; S438-E440 VanDerWaalsContact C-N 3.26Å; S438-E440 PolarHBondContact O-N 2.81Å |
| 441 | W | 98.1 | Very high | 97.1 | Very high | 51 Ų | 51 | 49.2 Ų | 49.2 | 19% | 0.193 | 29% | 0.288 | C | S | . | . | trans | -133.2 | 96.1 | 174.6 | -171.4 | 74.2 | 0 | 0 | 0 | 111.3 | S367 L370 F428 S438 V439 P443 F444 | S367-W441 PolarHBondContact O-NE1 3.46Å; L370-W441 HydrophobicContact CB-CZ2 4.22Å; L370-W441 HydrophobicContact CD1-CZ2 4.31Å; F428-W441 AromaticContact CE1-CD1 3.48Å; F428-W441 VanDerWaalsContact CE1-CD1 3.48Å; F428-W441 AromaticContact CE1-CD2 3.86Å; F428-W441 HydrophobicContact CE1-CD2 3.86Å; F428-W441 AromaticContact CE1-CE2 3.56Å; F428-W441 AromaticContact CE1-CG 3.77Å; F428-W441 HydrophobicContact CE1-CG 3.77Å; F428-W441 HydrophobicContact CE1-CZ2 4.24Å; F428-W441 AromaticContact CE1-NE1 3.31Å; F428-W441 VanDerWaalsContact CE1-NE1 3.31Å; F428-W441 AromaticContact CZ-CD1 3.34Å; F428-W441 HydrophobicContact CZ-CD2 4.46Å; F428-W441 AromaticContact CZ-CE2 3.95Å; F428-W441 HydrophobicContact CZ-CG 4.08Å; F428-W441 AromaticContact CZ-NE1 3.21Å; S438-W441 CarbonylContact O-C 3.52Å; S438-W441 PolarHBondContact O-N 3.46Å; V439-W441 VanDerWaalsContact C-N 3.26Å; W441-P443 HydrophobicContact CD2-CG 3.65Å; W441-P443 HydrophobicContact CE3-CG 3.9Å; W441-P443 HydrophobicContact CG-CG 4.38Å; W441-P443 HydrophobicContact CH2-CG 3.58Å; W441-P443 HydrophobicContact CZ2-CG 3.29Å; W441-P443 HydrophobicContact CZ3-CG 3.86Å; W441-P443 WeakPolarHBondContact O-CD 3.29Å; W441-F444 HydrophobicContact CH2-CD2 4.34Å; W441-F444 HydrophobicContact CH2-CE2 4.28Å | ||
| 442 | L | 98.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | trans | -111.9 | 31.9 | -170.5 | -67.2 | 174.3 | 0 | 0 | 0 | 116.2 | L93 L379 I405 A407 Y410 H411 V439 F444 G445 D446 | L93-L442 HydrophobicContact CD1-CD1 4.26Å; L93-L442 HydrophobicContact CD1-CD2 3.91Å; L379-L442 HydrophobicContact CD1-CB 4.33Å; L379-L442 HydrophobicContact CD1-CD1 4.09Å; L379-L442 HydrophobicContact CD1-CD2 4.22Å; L379-L442 HydrophobicContact CD1-CG 4.47Å; I405-L442 HydrophobicContact CG2-CD1 3.95Å; A407-L442 HydrophobicContact CB-CB 3.87Å; A407-L442 HydrophobicContact CB-CD1 4.49Å; Y410-L442 HydrophobicContact CD2-CD1 3.96Å; Y410-L442 HydrophobicContact CE2-CD1 4.25Å; H411-L442 PolarHBondContact NE2-N 3.14Å; V439-L442 HydrophobicContact CB-CD2 4.37Å; V439-L442 HydrophobicContact CG1-CD2 4.43Å; V439-L442 VanDerWaalsContact O-CD1 3.27Å; V439-L442 WeakPolarHBondContact O-CD1 3.34Å; V439-L442 VanDerWaalsContact O-CG 3.27Å; V439-L442 WeakPolarHBondContact O-CG 3.41Å; L442-F444 PolarHBondContact O-N 3.47Å; L442-F444 VanDerWaalsContact O-N 3.14Å; L442-G445 PolarHBondContact O-N 3.3Å; L442-D446 HydrophobicContact CD2-CB 3.74Å | ||
| 443 | P | 97.1 | Very high | 97 | Very high | 23 Ų | 23 | 40.3 Ų | 40.3 | 15% | 0.149 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -20.6 | -177.9 | 28.6 | -33.7 | 0 | 0 | 0 | 113.6 | L370 W441 | L370-P443 HydrophobicContact CB-CB 3.76Å; L370-P443 HydrophobicContact CB-CG 4.03Å; L370-P443 HydrophobicContact CD1-CB 4.38Å; L370-P443 HydrophobicContact CD1-CG 4.41Å; L370-P443 HydrophobicContact CD2-CB 4.31Å; L370-P443 HydrophobicContact CG-CB 4.39Å; W441-P443 HydrophobicContact CD2-CG 3.65Å; W441-P443 HydrophobicContact CE3-CG 3.9Å; W441-P443 HydrophobicContact CG-CG 4.38Å; W441-P443 HydrophobicContact CH2-CG 3.58Å; W441-P443 HydrophobicContact CZ2-CG 3.29Å; W441-P443 HydrophobicContact CZ3-CG 3.86Å; W441-P443 WeakPolarHBondContact O-CD 3.29Å |
| 444 | F | 97.8 | Very high | 96.9 | Very high | 39 Ų | 39 | 39.5 Ų | 39.5 | 17% | 0.171 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 7.6 | 173.3 | -63.3 | -73 | 0 | 0 | 0 | 112.7 | L370 W441 L442 C451 M454 Q458 | L370-F444 HydrophobicContact CD1-CE2 3.56Å; L370-F444 HydrophobicContact CD1-CZ 3.71Å; W441-F444 HydrophobicContact CH2-CD2 4.34Å; W441-F444 HydrophobicContact CH2-CE2 4.28Å; L442-F444 PolarHBondContact O-N 3.47Å; L442-F444 VanDerWaalsContact O-N 3.14Å; F444-C451 HydrophobicContact CB-CB 3.85Å; F444-C451 HydrophobicContact CD1-CB 3.87Å; F444-C451 HydrophobicContact CG-CB 4.34Å; F444-C451 WeakPolarHBondContact O-CB 3.48Å; F444-C451 PolarHBondContact O-N 3.1Å; F444-M454 HydrophobicContact CB-CB 4.41Å; F444-M454 HydrophobicContact CB-CG 4.17Å; F444-M454 HydrophobicContact CB-SD 3.92Å; F444-M454 HydrophobicContact CD1-CB 3.94Å; F444-M454 HydrophobicContact CD1-CG 3.86Å; F444-M454 HydrophobicContact CD2-CG 3.73Å; F444-M454 HydrophobicContact CD2-SD 3.86Å; F444-M454 HydrophobicContact CE1-CB 4.39Å; F444-M454 HydrophobicContact CE1-CG 4.16Å; F444-M454 HydrophobicContact CE2-CG 4.05Å; F444-M454 HydrophobicContact CG-CB 4.08Å; F444-M454 HydrophobicContact CG-CG 3.63Å; F444-M454 HydrophobicContact CG-SD 3.9Å; F444-M454 HydrophobicContact CZ-CG 4.25Å; F444-Q458 HydrophobicContact CE2-CG 4.44Å; F444-Q458 HydrophobicContact CZ-CG 4.23Å |
| 445 | G | 97.6 | Very high | 96.8 | Very high | 13 Ų | 13 | 41.1 Ų | 41.1 | 13% | 0.134 | 23% | 0.233 | C | C | . | . | trans | 59.5 | -172.5 | -163.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L442 | L442-G445 PolarHBondContact O-N 3.3Š| ||
| 446 | D | 97.6 | Very high | 96.8 | Very high | 32 Ų | 32 | 37.5 Ų | 37.5 | 17% | 0.171 | 20% | 0.2 | C | C | . | . | trans | -141.1 | 168.9 | -178.7 | -151.9 | -13.5 | 0 | 0 | 0 | 111.9 | L93 I94 S438 V439 L442 | L93-D446 HydrophobicContact CD1-CB 4.24Å; I94-D446 WeakPolarHBondContact CD1-OD2 3.2Å; S438-D446 WeakPolarHBondContact CB-OD2 3.17Å; S438-D446 PolarHBondContact OG-OD2 3.32Å; V439-D446 HydrophobicContact CG1-CB 4.49Å; L442-D446 HydrophobicContact CD2-CB 3.74Å | ||
| 447 | G | 97.4 | Very high | 96.8 | Very high | 14 Ų | 14 | 36.1 Ų | 36.1 | 14% | 0.144 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 72.1 | -167.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L93 R449 N450 | L93-G447 WeakPolarHBondContact O-CA 3.09Å; G447-R449 PolarHBondContact O-N 3.33Å; G447-N450 WeakPolarHBondContact O-CB 3.48Å; G447-N450 PolarHBondContact O-N 3.43Å; G447-N450 VanDerWaalsContact O-N 3.07Å |
| 448 | P | 97.5 | Very high | 96.8 | Very high | 65 Ų | 65 | 34 Ų | 34 | 42% | 0.422 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -18.4 | -173.4 | -26.9 | 36.3 | 0 | 0 | 0 | 115.4 | F97 W126 | F97-P448 HydrophobicContact CB-CG 4.42Å; F97-P448 HydrophobicContact CD1-CB 3.91Å; F97-P448 HydrophobicContact CD1-CG 3.63Å; F97-P448 HydrophobicContact CD2-CG 4.3Å; F97-P448 HydrophobicContact CE1-CB 3.69Å; F97-P448 HydrophobicContact CE1-CG 3.97Å; F97-P448 HydrophobicContact CE2-CB 4.32Å; F97-P448 HydrophobicContact CG-CB 4.33Å; F97-P448 HydrophobicContact CG-CG 3.83Å; F97-P448 HydrophobicContact CZ-CB 3.91Å; F97-P448 HydrophobicContact CZ-CG 4.45Å; W126-P448 HydrophobicContact CH2-CB 4.45Å |
| 449 | R | 96.9 | Very high | 96.8 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 1% | 0.011 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | 24.4 | -179.2 | -160.2 | 158.4 | 179.8 | 166.2 | -4.5 | 113.3 | F97 A101 D102 R103 L121 D122 W126 G447 | F97-R449 HydrophobicContact CE2-CB 3.64Å; F97-R449 HydrophobicContact CZ-CB 3.9Å; A101-R449 WeakPolarHBondContact O-CD 3.45Å; A101-R449 PolarHBondContact O-NH1 3.48Å; D102-R449 IonicContact OD1-NH1 3.76Å; R103-R449 PolarHBondContact NH2-O 3.43Å; L121-R449 PolarHBondContact O-NH1 3.5Å; L121-R449 PolarHBondContact O-NH2 3.04Å; D122-R449 IonicContact OD1-CZ 3.98Å; D122-R449 IonicContact OD1-NH1 3.12Å; D122-R449 PolarHBondContact OD1-NH1 3.17Å; D122-R449 IonicContact OD1-NH2 2.64Å; D122-R449 PolarHBondContact OD1-NH2 2.91Å; D122-R449 VanDerWaalsContact OD1-NH2 3.17Å; W126-R449 VanDerWaalsContact CD1-CZ 3.48Å; W126-R449 VanDerWaalsContact CE2-CD 3.45Å; W126-R449 HydrophobicContact CH2-CB 4.08Å; W126-R449 HydrophobicContact CH2-CG 4.32Å; W126-R449 HydrophobicContact CZ2-CB 3.57Å; W126-R449 HydrophobicContact CZ2-CG 3.45Å; W126-R449 VanDerWaalsContact CZ2-CG 3.45Å; G447-R449 PolarHBondContact O-N 3.33Å |
| 450 | N | 97.4 | Very high | 96.7 | Very high | 42 Ų | 42 | 31.5 Ų | 31.5 | 23% | 0.225 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -65.5 | 174.8 | 169 | 75.9 | -13 | 0 | 0 | 0 | 112.6 | R130 G447 I452 | R130-N450 PolarHBondContact NH1-O 3.32Å; R130-N450 PolarHBondContact NH2-O 2.97Å; R130-N450 PolarHBondContact NH2-OD1 3.29Å; G447-N450 WeakPolarHBondContact O-CB 3.48Å; G447-N450 PolarHBondContact O-N 3.43Å; G447-N450 VanDerWaalsContact O-N 3.07Å; N450-I452 PolarHBondContact O-N 3.11Å |
| 451 | C | 97.8 | Very high | 96.7 | Very high | 54 Ų | 54 | 29.9 Ų | 29.9 | 37% | 0.365 | 16% | 0.164 | S | C | . | . | trans | -60.6 | 117.7 | 177 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | F444 G453 M454 | F444-C451 HydrophobicContact CB-CB 3.85Å; F444-C451 HydrophobicContact CD1-CB 3.87Å; F444-C451 HydrophobicContact CG-CB 4.34Å; F444-C451 WeakPolarHBondContact O-CB 3.48Å; F444-C451 PolarHBondContact O-N 3.1Å; C451-G453 VanDerWaalsContact C-N 3.26Å; C451-G453 PolarHBondContact O-N 3.15Å; C451-G453 PolarHBondContact SG-N 3.48Å; C451-M454 HydrophobicContact CB-CB 4.36Å | ||
| 452 | I | 96.5 | Very high | 96.7 | Very high | 26 Ų | 26 | 29.9 Ų | 29.9 | 13% | 0.133 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -31.3 | 176.8 | -157.2 | 176.4 | 0 | 0 | 0 | 111.8 | L118 L133 F137 F307 N450 | L118-I452 HydrophobicContact CD2-CB 4.31Å; L118-I452 HydrophobicContact CD2-CD1 3.89Å; L118-I452 HydrophobicContact CD2-CG2 4.01Å; L133-I452 HydrophobicContact CB-CD1 3.72Å; F137-I452 WeakPolarHBondContact CB-O 3.15Å; F137-I452 HydrophobicContact CD2-CB 4.49Å; F137-I452 HydrophobicContact CD2-CD1 3.82Å; F137-I452 HydrophobicContact CD2-CG1 3.66Å; F137-I452 HydrophobicContact CD2-CG2 4.31Å; F137-I452 HydrophobicContact CE2-CD1 4.13Å; F137-I452 HydrophobicContact CE2-CG1 4.23Å; F137-I452 HydrophobicContact CE2-CG2 4.12Å; F137-I452 HydrophobicContact CG-CG1 4.26Å; F137-I452 WeakPolarHBondContact CG-O 3.29Å; F307-I452 HydrophobicContact CE1-CG2 3.63Å; F307-I452 HydrophobicContact CZ-CG2 3.89Å; N450-I452 PolarHBondContact O-N 3.11Å |
| 453 | G | 95.3 | Very high | 96.7 | Very high | 17 Ų | 17 | 29.8 Ų | 29.8 | 18% | 0.175 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 6.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | C451 R455 F456 G457 | C451-G453 VanDerWaalsContact C-N 3.26Å; C451-G453 PolarHBondContact O-N 3.15Å; C451-G453 PolarHBondContact SG-N 3.48Å; G453-R455 VanDerWaalsContact C-N 3.32Å; G453-R455 PolarHBondContact O-N 3.44Å; G453-F456 PolarHBondContact O-N 2.9Å; G453-G457 PolarHBondContact O-N 3.15Å |
| 454 | M | 96.2 | Very high | 96.7 | Very high | 54 Ų | 54 | 28.7 Ų | 28.7 | 27% | 0.266 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -49.5 | -49.9 | -173.7 | 176.8 | 177.4 | 70.3 | 0 | 0 | 112.7 | F444 C451 F456 G457 Q458 | F444-M454 HydrophobicContact CB-CB 4.41Å; F444-M454 HydrophobicContact CB-CG 4.17Å; F444-M454 HydrophobicContact CB-SD 3.92Å; F444-M454 HydrophobicContact CD1-CB 3.94Å; F444-M454 HydrophobicContact CD1-CG 3.86Å; F444-M454 HydrophobicContact CD2-CG 3.73Å; F444-M454 HydrophobicContact CD2-SD 3.86Å; F444-M454 HydrophobicContact CE1-CB 4.39Å; F444-M454 HydrophobicContact CE1-CG 4.16Å; F444-M454 HydrophobicContact CE2-CG 4.05Å; F444-M454 HydrophobicContact CG-CB 4.08Å; F444-M454 HydrophobicContact CG-CG 3.63Å; F444-M454 HydrophobicContact CG-SD 3.9Å; F444-M454 HydrophobicContact CZ-CG 4.25Å; C451-M454 HydrophobicContact CB-CB 4.36Å; M454-F456 PolarHBondContact O-N 2.95Å; M454-G457 PolarHBondContact O-N 3.11Å; M454-Q458 WeakPolarHBondContact O-CB 3.18Å; M454-Q458 VanDerWaalsContact O-CG 3.32Å; M454-Q458 WeakPolarHBondContact O-CG 3.45Å; M454-Q458 PolarHBondContact O-N 3.32Å |
| 455 | R | 94.6 | Very high | 96.7 | Very high | 121 Ų | 121 | 26.9 Ų | 26.9 | 46% | 0.457 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -64.7 | -38.5 | -179.3 | -66.7 | 178.2 | 177.7 | 159.2 | -4 | 112.7 | F137 M142 G453 M459 | F137-R455 PolarHBondContact O-NH1 3.31Å; M142-R455 HydrophobicContact CG-CB 4Å; M142-R455 HydrophobicContact SD-CB 4.1Å; G453-R455 VanDerWaalsContact C-N 3.32Å; G453-R455 PolarHBondContact O-N 3.44Å; R455-M459 VanDerWaalsContact O-CB 3.32Å; R455-M459 WeakPolarHBondContact O-CB 3.29Å; R455-M459 PolarHBondContact O-N 3.04Å |
| 456 | F | 94.8 | Very high | 96.7 | Very high | 13 Ų | 13 | 26.2 Ų | 26.2 | 6% | 0.057 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.6 | -46 | 178.2 | -178.6 | -95.9 | 0 | 0 | 0 | 111.2 | F137 M142 M145 V186 I187 C190 G453 M454 M459 Q460 | F137-F456 HydrophobicContact CD1-CB 4.28Å; F137-F456 HydrophobicContact CE1-CB 4.3Å; M142-F456 HydrophobicContact SD-CB 3.84Å; M142-F456 HydrophobicContact SD-CD2 4.28Å; M145-F456 HydrophobicContact CE-CD2 3.89Å; M145-F456 HydrophobicContact CE-CE2 4.23Å; M145-F456 HydrophobicContact SD-CD2 4.44Å; M145-F456 HydrophobicContact SD-CE2 4.18Å; V186-F456 HydrophobicContact CG1-CE1 4.32Å; V186-F456 HydrophobicContact CG1-CZ 3.72Å; I187-F456 HydrophobicContact CD1-CE1 3.75Å; I187-F456 HydrophobicContact CD1-CZ 4.06Å; C190-F456 HydrophobicContact CB-CE2 4.03Å; C190-F456 HydrophobicContact CB-CZ 4.13Å; G453-F456 PolarHBondContact O-N 2.9Å; M454-F456 PolarHBondContact O-N 2.95Å; F456-M459 HydrophobicContact CD2-CE 3.73Å; F456-M459 HydrophobicContact CE2-CE 4.07Å; F456-M459 PolarHBondContact O-N 3.32Å; F456-Q460 PolarHBondContact O-N 3.12Å |
| 457 | G | 95.7 | Very high | 96.6 | Very high | 13 Ų | 13 | 25 Ų | 25 | 13% | 0.134 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.9 | -47.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G453 M454 M459 Q460 A461 | G453-G457 PolarHBondContact O-N 3.15Å; M454-G457 PolarHBondContact O-N 3.11Å; G457-M459 PolarHBondContact O-N 2.64Å; G457-Q460 WeakPolarHBondContact O-CG 3.11Å; G457-A461 VanDerWaalsContact O-CB 3.28Å; G457-A461 WeakPolarHBondContact O-CB 3.3Å; G457-A461 PolarHBondContact O-N 3.35Å |
| 458 | Q | 96.1 | Very high | 96.6 | Very high | 35 Ų | 35 | 24.6 Ų | 24.6 | 16% | 0.164 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.8 | -42.7 | 175.3 | -74.5 | 176.5 | -27.6 | 0 | 0 | 112.3 | F444 M454 A461 R462 | F444-Q458 HydrophobicContact CE2-CG 4.44Å; F444-Q458 HydrophobicContact CZ-CG 4.23Å; M454-Q458 WeakPolarHBondContact O-CB 3.18Å; M454-Q458 VanDerWaalsContact O-CG 3.32Å; M454-Q458 WeakPolarHBondContact O-CG 3.45Å; M454-Q458 PolarHBondContact O-N 3.32Å; Q458-A461 PolarHBondContact O-N 2.86Å; Q458-R462 WeakPolarHBondContact O-CB 3.38Å; Q458-R462 WeakPolarHBondContact O-CD 3.22Å; Q458-R462 WeakPolarHBondContact O-CG 3.39Å; Q458-R462 PolarHBondContact O-N 2.76Å |
| 459 | M | 95.5 | Very high | 96.6 | Very high | 7 Ų | 7 | 21.5 Ų | 21.5 | 3% | 0.034 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.2 | -52.8 | 179 | 179.2 | 176.9 | 63.6 | 0 | 0 | 111.7 | M142 M145 F146 V149 R455 F456 G457 A461 R462 I463 | M142-M459 HydrophobicContact CB-SD 4.23Å; M142-M459 HydrophobicContact SD-CE 4.2Å; M145-M459 HydrophobicContact CB-CE 4.44Å; F146-M459 HydrophobicContact CB-SD 4.19Å; F146-M459 HydrophobicContact CD2-CG 4.09Å; F146-M459 HydrophobicContact CD2-SD 3.84Å; V149-M459 HydrophobicContact CG2-CE 3.98Å; R455-M459 VanDerWaalsContact O-CB 3.32Å; R455-M459 WeakPolarHBondContact O-CB 3.29Å; R455-M459 PolarHBondContact O-N 3.04Å; F456-M459 HydrophobicContact CD2-CE 3.73Å; F456-M459 HydrophobicContact CE2-CE 4.07Å; F456-M459 PolarHBondContact O-N 3.32Å; G457-M459 PolarHBondContact O-N 2.64Å; M459-A461 VanDerWaalsContact C-N 3.35Å; M459-A461 PolarHBondContact O-N 3.46Å; M459-R462 PolarHBondContact O-N 3.16Å; M459-I463 HydrophobicContact CG-CD1 3.81Å; M459-I463 WeakPolarHBondContact O-CD1 3.34Å; M459-I463 VanDerWaalsContact O-CG1 3.28Å; M459-I463 WeakPolarHBondContact O-CG1 3.27Å; M459-I463 PolarHBondContact O-N 3.49Å |
| 460 | Q | 95.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67 | -35.9 | -179.6 | 67.5 | 176.3 | -46.9 | 0 | 0 | 112.4 | V149 V186 G311 S315 F456 G457 I463 G464 | V149-Q460 HydrophobicContact CG1-CB 4.31Å; V186-Q460 HydrophobicContact CG1-CB 4.09Å; G311-Q460 PolarHBondContact O-NE2 2.9Å; S315-Q460 PolarHBondContact OG-NE2 3.03Å; F456-Q460 PolarHBondContact O-N 3.12Å; G457-Q460 WeakPolarHBondContact O-CG 3.11Å; Q460-I463 PolarHBondContact O-N 3.29Å; Q460-G464 PolarHBondContact O-N 2.88Å |
| 461 | A | 97.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 24.5 Ų | 24.5 | 3% | 0.025 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.9 | -46 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | M319 G457 Q458 M459 G464 L465 | M319-A461 HydrophobicContact CG-CB 3.99Å; M319-A461 HydrophobicContact SD-CB 4.48Å; G457-A461 VanDerWaalsContact O-CB 3.28Å; G457-A461 WeakPolarHBondContact O-CB 3.3Å; G457-A461 PolarHBondContact O-N 3.35Å; Q458-A461 PolarHBondContact O-N 2.86Å; M459-A461 VanDerWaalsContact C-N 3.35Å; M459-A461 PolarHBondContact O-N 3.46Å; A461-G464 PolarHBondContact O-N 2.95Å; A461-L465 VanDerWaalsContact O-CB 3.32Å; A461-L465 WeakPolarHBondContact O-CB 3.44Å; A461-L465 WeakPolarHBondContact O-CD1 3.27Å; A461-L465 VanDerWaalsContact O-CG 3.26Å; A461-L465 WeakPolarHBondContact O-CG 3.32Å; A461-L465 PolarHBondContact O-N 3.18Å |
| 462 | R | 97.9 | Very high | 96.4 | Very high | 52 Ų | 52 | 22 Ų | 22 | 20% | 0.196 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61 | -46.9 | 176.6 | -70.3 | 163.9 | -174.5 | 169.5 | -6.8 | 111.6 | I356 L362 N363 I366 Q458 M459 A466 | I356-R462 HydrophobicContact CD1-CB 4.05Å; I356-R462 HydrophobicContact CG2-CB 3.73Å; I356-R462 HydrophobicContact CG2-CG 4.26Å; L362-R462 HydrophobicContact CD2-CB 3.93Å; L362-R462 HydrophobicContact CD2-CG 4.15Å; L362-R462 HydrophobicContact CG-CG 4.44Å; N363-R462 PolarHBondContact OD1-NE 3.39Å; N363-R462 PolarHBondContact OD1-NH2 2.86Å; I366-R462 HydrophobicContact CD1-CB 4.38Å; I366-R462 HydrophobicContact CD1-CG 3.57Å; Q458-R462 WeakPolarHBondContact O-CB 3.38Å; Q458-R462 WeakPolarHBondContact O-CD 3.22Å; Q458-R462 WeakPolarHBondContact O-CG 3.39Å; Q458-R462 PolarHBondContact O-N 2.76Å; M459-R462 PolarHBondContact O-N 3.16Å; R462-A466 WeakPolarHBondContact O-CB 3.4Å; R462-A466 PolarHBondContact O-N 2.7Å |
| 463 | I | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.3 | -50.6 | 179.1 | -67.9 | 164.2 | 0 | 0 | 0 | 110.3 | F146 V149 I150 I356 M459 Q460 L465 A466 Q467 | F146-I463 HydrophobicContact CD2-CD1 3.87Å; F146-I463 HydrophobicContact CE2-CD1 3.59Å; F146-I463 HydrophobicContact CE2-CG1 4.06Å; F146-I463 HydrophobicContact CZ-CD1 4.24Å; V149-I463 HydrophobicContact CB-CD1 3.92Å; V149-I463 HydrophobicContact CG1-CB 4.42Å; V149-I463 HydrophobicContact CG1-CD1 3.54Å; V149-I463 HydrophobicContact CG1-CG2 4.31Å; I150-I463 HydrophobicContact CD1-CD1 4.18Å; I150-I463 HydrophobicContact CD1-CG1 4.27Å; I150-I463 HydrophobicContact CD1-CG2 3.98Å; I356-I463 HydrophobicContact CD1-CG1 4.01Å; I356-I463 HydrophobicContact CG1-CG1 4.17Å; M459-I463 HydrophobicContact CG-CD1 3.81Å; M459-I463 WeakPolarHBondContact O-CD1 3.34Å; M459-I463 VanDerWaalsContact O-CG1 3.28Å; M459-I463 WeakPolarHBondContact O-CG1 3.27Å; M459-I463 PolarHBondContact O-N 3.49Å; Q460-I463 PolarHBondContact O-N 3.29Å; I463-L465 PolarHBondContact O-N 3.35Å; I463-A466 PolarHBondContact O-N 2.66Å; I463-Q467 HydrophobicContact CG2-CG 4.27Å; I463-Q467 WeakPolarHBondContact O-CB 3.38Å; I463-Q467 WeakPolarHBondContact O-CG 3.49Å; I463-Q467 PolarHBondContact O-N 2.62Å |
| 464 | G | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.1 | -46.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q460 A461 Q467 I468 | Q460-G464 PolarHBondContact O-N 2.88Å; A461-G464 PolarHBondContact O-N 2.95Å; G464-Q467 PolarHBondContact O-N 3.44Å; G464-I468 WeakPolarHBondContact O-CG1 3.46Å; G464-I468 PolarHBondContact O-N 3Å |
| 465 | L | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.9 | -44.7 | 178.3 | -70.3 | 167.4 | 0 | 0 | 0 | 112.3 | M319 C322 L323 L362 I366 A461 I463 Q467 I468 I469 | M319-L465 HydrophobicContact CB-CD2 4.2Å; M319-L465 HydrophobicContact CB-CG 4.36Å; M319-L465 HydrophobicContact CG-CD1 4.26Å; M319-L465 HydrophobicContact CG-CD2 4.37Å; M319-L465 HydrophobicContact CG-CG 3.98Å; C322-L465 HydrophobicContact CB-CD1 4.09Å; C322-L465 HydrophobicContact CB-CD2 4.03Å; L323-L465 HydrophobicContact CD1-CD2 4.42Å; L323-L465 HydrophobicContact CD2-CD2 3.85Å; L323-L465 HydrophobicContact CG-CD2 3.79Å; L362-L465 HydrophobicContact CD1-CB 4.04Å; L362-L465 HydrophobicContact CD1-CD1 4.43Å; I366-L465 HydrophobicContact CD1-CD1 3.81Å; I366-L465 HydrophobicContact CG1-CD1 3.58Å; A461-L465 VanDerWaalsContact O-CB 3.32Å; A461-L465 WeakPolarHBondContact O-CB 3.44Å; A461-L465 WeakPolarHBondContact O-CD1 3.27Å; A461-L465 VanDerWaalsContact O-CG 3.26Å; A461-L465 WeakPolarHBondContact O-CG 3.32Å; A461-L465 PolarHBondContact O-N 3.18Å; I463-L465 PolarHBondContact O-N 3.35Å; L465-Q467 VanDerWaalsContact C-N 3.28Å; L465-Q467 PolarHBondContact O-N 3.01Å; L465-I468 PolarHBondContact O-N 3.33Å; L465-I469 WeakPolarHBondContact O-CB 3.36Å; L465-I469 WeakPolarHBondContact O-CG1 3.5Å; L465-I469 PolarHBondContact O-N 2.79Å |
| 466 | A | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.8 | -41.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I340 L351 I356 M359 L362 R462 I463 I468 S470 | I340-A466 HydrophobicContact CD1-CB 4.45Å; I340-A466 HydrophobicContact CG2-CB 4.39Å; L351-A466 HydrophobicContact CD2-CB 4.23Å; I356-A466 HydrophobicContact CD1-CB 4.21Å; M359-A466 HydrophobicContact SD-CB 4.12Å; L362-A466 HydrophobicContact CD2-CB 4.2Å; R462-A466 WeakPolarHBondContact O-CB 3.4Å; R462-A466 PolarHBondContact O-N 2.7Å; I463-A466 PolarHBondContact O-N 2.66Å; A466-I468 PolarHBondContact O-N 2.88Å; A466-S470 VanDerWaalsContact O-CB 3.23Å; A466-S470 WeakPolarHBondContact O-CB 3.5Å; A466-S470 PolarHBondContact O-N 3.08Å; A466-S470 VanDerWaalsContact O-N 3.12Å; A466-S470 PolarHBondContact O-OG 2.91Å |
| 467 | Q | 95.8 | Very high | 96.8 | Very high | 6 Ų | 6 | 19.4 Ų | 19.4 | 3% | 0.028 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.8 | -40 | 177.5 | -71.8 | -76.9 | 30.3 | 0 | 0 | 113 | S153 V157 L351 I463 G464 L465 S470 R471 | S153-Q467 PolarHBondContact OG-NE2 2.73Å; V157-Q467 HydrophobicContact CG2-CB 3.75Å; V157-Q467 HydrophobicContact CG2-CG 4.27Å; L351-Q467 HydrophobicContact CD1-CG 3.68Å; I463-Q467 HydrophobicContact CG2-CG 4.27Å; I463-Q467 WeakPolarHBondContact O-CB 3.38Å; I463-Q467 WeakPolarHBondContact O-CG 3.49Å; I463-Q467 PolarHBondContact O-N 2.62Å; G464-Q467 PolarHBondContact O-N 3.44Å; L465-Q467 VanDerWaalsContact C-N 3.28Å; L465-Q467 PolarHBondContact O-N 3.01Å; Q467-S470 PolarHBondContact O-OG 3.18Å; Q467-R471 PolarHBondContact O-NH1 2.77Å |
| 468 | I | 97.3 | Very high | 96.8 | Very high | 5 Ų | 5 | 26.7 Ų | 26.7 | 3% | 0.026 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -71.5 | -56.8 | 177.2 | -65.3 | 168.5 | 0 | 0 | 0 | 110.5 | F156 I160 M179 L323 G464 L465 A466 S470 R471 F472 V474 | F156-I468 HydrophobicContact CE1-CD1 3.78Å; F156-I468 HydrophobicContact CE1-CG1 3.75Å; F156-I468 HydrophobicContact CZ-CD1 3.86Å; F156-I468 HydrophobicContact CZ-CG1 4.15Å; I160-I468 HydrophobicContact CD1-CD1 4.5Å; I160-I468 HydrophobicContact CD1-CG1 4.05Å; M179-I468 HydrophobicContact CE-CD1 3.55Å; M179-I468 HydrophobicContact SD-CD1 4.31Å; L323-I468 HydrophobicContact CD1-CD1 3.69Å; L323-I468 HydrophobicContact CD2-CD1 4.38Å; L323-I468 HydrophobicContact CD2-CG2 3.99Å; G464-I468 WeakPolarHBondContact O-CG1 3.46Å; G464-I468 PolarHBondContact O-N 3Å; L465-I468 PolarHBondContact O-N 3.33Å; A466-I468 PolarHBondContact O-N 2.88Å; I468-S470 VanDerWaalsContact C-N 3.27Å; I468-S470 PolarHBondContact O-N 3.5Å; I468-R471 PolarHBondContact O-N 2.77Å; I468-R471 VanDerWaalsContact O-N 3.07Å; I468-F472 HydrophobicContact CG2-CB 4.36Å; I468-F472 WeakPolarHBondContact O-CB 3.38Å; I468-F472 WeakPolarHBondContact O-CD2 3.13Å; I468-F472 PolarHBondContact O-N 3.33Å; I468-V474 HydrophobicContact CG2-CG2 3.92Å |
| 469 | I | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67 | -28.5 | -168.8 | -62.2 | -55.7 | 0 | 0 | 0 | 112.6 | L323 L326 Q333 L336 R337 I340 L465 R471 | L323-I469 HydrophobicContact CD2-CD1 3.92Å; L326-I469 HydrophobicContact CD1-CD1 3.83Å; L326-I469 HydrophobicContact CD1-CG1 4.09Å; Q333-I469 HydrophobicContact CG-CD1 4.06Å; Q333-I469 HydrophobicContact CG-CG2 4.49Å; L336-I469 HydrophobicContact CD2-CG1 4.27Å; L336-I469 HydrophobicContact CD2-CG2 4.27Å; L336-I469 HydrophobicContact CG-CG2 4.17Å; R337-I469 HydrophobicContact CB-CG2 3.86Å; R337-I469 WeakPolarHBondContact CG-O 3.42Å; R337-I469 PolarHBondContact NE-O 3.09Å; I340-I469 HydrophobicContact CD1-CB 3.94Å; I340-I469 HydrophobicContact CD1-CG2 3.88Å; L465-I469 WeakPolarHBondContact O-CB 3.36Å; L465-I469 WeakPolarHBondContact O-CG1 3.5Å; L465-I469 PolarHBondContact O-N 2.79Å; I469-R471 VanDerWaalsContact C-N 3.31Å; I469-R471 PolarHBondContact O-N 2.9Å |
| 470 | S | 95.4 | Very high | 96.8 | Very high | 14 Ų | 14 | 29.7 Ų | 29.7 | 10% | 0.098 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -21.9 | 175.1 | 53.6 | 0 | 0 | 0 | 0 | 114.8 | A466 Q467 I468 | A466-S470 VanDerWaalsContact O-CB 3.23Å; A466-S470 WeakPolarHBondContact O-CB 3.5Å; A466-S470 PolarHBondContact O-N 3.08Å; A466-S470 VanDerWaalsContact O-N 3.12Å; A466-S470 PolarHBondContact O-OG 2.91Å; Q467-S470 PolarHBondContact O-OG 3.18Å; I468-S470 VanDerWaalsContact C-N 3.27Å; I468-S470 PolarHBondContact O-N 3.5Å |
| 471 | R | 94.1 | Very high | 96.9 | Very high | 94 Ų | 94 | 32.4 Ų | 32.4 | 36% | 0.355 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125 | -15.7 | -170.8 | -70.2 | 175.5 | -175.9 | 77.4 | -6.5 | 114.4 | Q467 I468 I469 I506 | Q467-R471 PolarHBondContact O-NH1 2.77Å; I468-R471 PolarHBondContact O-N 2.77Å; I468-R471 VanDerWaalsContact O-N 3.07Å; I469-R471 VanDerWaalsContact C-N 3.31Å; I469-R471 PolarHBondContact O-N 2.9Å; R471-I506 VanDerWaalsContact O-CG1 3.28Å; R471-I506 WeakPolarHBondContact O-CG1 3.42Å; R471-I506 PolarHBondContact O-N 3.46Å |
| 472 | F | 96.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 1% | 0.013 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 147.3 | -176.6 | -54.3 | -87.8 | 0 | 0 | 0 | 110.5 | V157 I160 V164 R337 I468 V503 E504 R505 | V157-F472 HydrophobicContact CG1-CE2 4.47Å; I160-F472 HydrophobicContact CB-CE1 4.44Å; I160-F472 HydrophobicContact CB-CE2 4.22Å; I160-F472 HydrophobicContact CB-CZ 3.89Å; I160-F472 HydrophobicContact CG2-CD1 4.04Å; I160-F472 HydrophobicContact CG2-CD2 4.29Å; I160-F472 HydrophobicContact CG2-CE1 3.51Å; I160-F472 HydrophobicContact CG2-CE2 3.82Å; I160-F472 HydrophobicContact CG2-CG 4.4Å; I160-F472 HydrophobicContact CG2-CZ 3.4Å; V164-F472 HydrophobicContact CB-CE1 4.41Å; R337-F472 PolarHBondContact NH2-O 3.17Å; R337-F472 VanDerWaalsContact NH2-O 3.15Å; I468-F472 HydrophobicContact CG2-CB 4.36Å; I468-F472 WeakPolarHBondContact O-CB 3.38Å; I468-F472 WeakPolarHBondContact O-CD2 3.13Å; I468-F472 PolarHBondContact O-N 3.33Å; F472-V503 HydrophobicContact CB-CG1 3.72Å; F472-V503 HydrophobicContact CD1-CG1 3.74Å; F472-V503 HydrophobicContact CG-CG1 3.89Å; F472-E504 CarbonylContact C-O 3.56Å; F472-E504 WeakPolarHBondContact CA-O 3.09Å; F472-E504 WeakPolarHBondContact CB-O 3.37Å; F472-R505 HydrophobicContact CD1-CG 3.96Å; F472-R505 HydrophobicContact CE1-CG 3.68Å |
| 473 | R | 96.9 | Very high | 96.6 | Very high | 73 Ų | 73 | 39.2 Ų | 39.2 | 28% | 0.275 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 134.7 | 161.5 | -177.5 | 177.5 | -69.9 | -91.6 | -1 | 108.1 | D334 V503 E504 I506 | D334-R473 IonicContact OD1-CZ 3.43Å; D334-R473 IonicContact OD1-NH1 2.73Å; D334-R473 PolarHBondContact OD1-NH1 3.14Å; D334-R473 VanDerWaalsContact OD1-NH1 3.11Å; D334-R473 IonicContact OD1-NH2 2.74Å; D334-R473 PolarHBondContact OD1-NH2 3.07Å; D334-R473 VanDerWaalsContact OD1-NH2 3.07Å; D334-R473 IonicContact OD2-NH1 3.29Å; D334-R473 IonicContact OD2-NH2 3.12Å; R473-V503 WeakPolarHBondContact O-CA 3.41Å; R473-E504 HydrophobicContact CB-CB 4.43Å; R473-E504 PolarHBondContact N-O 2.84Å; R473-E504 PolarHBondContact O-N 3.05Å; R473-I506 HydrophobicContact CB-CG2 3.99Å |
| 474 | V | 97.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 131.7 | 175.5 | -172.7 | 0 | 0 | 0 | 0 | 108.7 | L323 A327 Q330 Q333 I468 L501 R502 V503 | L323-V474 HydrophobicContact CD2-CG2 4.29Å; A327-V474 WeakPolarHBondContact CA-O 3.45Å; A327-V474 HydrophobicContact CB-CG1 4.13Å; Q330-V474 PolarHBondContact NE2-O 2.85Å; Q333-V474 PolarHBondContact NE2-O 3.38Å; I468-V474 HydrophobicContact CG2-CG2 3.92Å; V474-L501 HydrophobicContact CG1-CB 3.6Å; V474-L501 HydrophobicContact CG1-CD1 3.44Å; V474-L501 VanDerWaalsContact CG1-CD1 3.44Å; V474-L501 HydrophobicContact CG1-CG 4.08Å; V474-R502 CarbonylContact C-O 3.51Å; V474-R502 VanDerWaalsContact CA-O 3.31Å; V474-R502 WeakPolarHBondContact CA-O 3.42Å; V474-V503 HydrophobicContact CG2-CG2 4.4Å |
| 475 | S | 97.8 | Very high | 96.1 | Very high | 24 Ų | 24 | 46 Ų | 46 | 17% | 0.168 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 162.4 | -178.6 | 57.6 | 0 | 0 | 0 | 0 | 111 | R502 | S475-R502 PolarHBondContact N-O 2.84Å; S475-R502 PolarHBondContact O-N 2.8Å |
| 476 | V | 97.8 | Very high | 95.8 | Very high | 62 Ų | 62 | 48.4 Ų | 48.4 | 38% | 0.376 | 25% | 0.249 | S | C | . | . | trans | -67.3 | 154 | 174.1 | -59.2 | 0 | 0 | 0 | 0 | 110.5 | A327 Q328 T480 I482 | A327-V476 HydrophobicContact CB-CG1 4.2Å; Q328-V476 HydrophobicContact CG-CG1 3.61Å; V476-T480 HydrophobicContact CB-CG2 4.38Å; V476-T480 HydrophobicContact CG1-CG2 4.25Å; V476-I482 HydrophobicContact CB-CD1 4.29Å; V476-I482 HydrophobicContact CG1-CD1 3.81Å | ||
| 477 | C | 95.7 | Very high | 95.3 | Very high | 15 Ų | 15 | 49.8 Ų | 49.8 | 10% | 0.101 | 26% | 0.259 | C | S | . | . | trans | -137 | 174.5 | 176 | 70.4 | 0 | 0 | 0 | 0 | 110.4 | V172 T479 T480 R502 | V172-C477 HydrophobicContact CG2-CB 4.15Å; C477-T479 PolarHBondContact O-N 2.98Å; C477-T479 VanDerWaalsContact O-N 3.07Å; C477-T480 PolarHBondContact N-OG1 2.66Å; C477-T480 VanDerWaalsContact O-CB 3.3Å; C477-T480 WeakPolarHBondContact O-CB 3.42Å; C477-T480 PolarHBondContact O-N 3.33Å; C477-T480 PolarHBondContact O-OG1 2.87Å; C477-T480 PolarHBondContact SG-OG1 3.31Å; C477-R502 HydrophobicContact CB-CB 4.15Å | ||
| 478 | D | 95.4 | Very high | 94.6 | Very high | 167 Ų | 167 | 50.9 Ų | 50.9 | 89% | 0.893 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -23.9 | -177.5 | -55.5 | -26.5 | 0 | 0 | 0 | 113.5 | ||
| 479 | T | 95.5 | Very high | 93.3 | Very high | 87 Ų | 87 | 55.6 Ų | 55.6 | 53% | 0.534 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -7.3 | 177.8 | -44 | 0 | 0 | 0 | 0 | 112.8 | C477 E481 Y500 | C477-T479 PolarHBondContact O-N 2.98Å; C477-T479 VanDerWaalsContact O-N 3.07Å; T479-E481 PolarHBondContact O-N 2.96Å; T479-Y500 HydrophobicContact CG2-CD1 4.44Å; T479-Y500 HydrophobicContact CG2-CD2 3.94Å; T479-Y500 HydrophobicContact CG2-CG 3.89Å |
| 480 | T | 97.2 | Very high | 92.2 | Very high | 17 Ų | 17 | 56.7 Ų | 56.7 | 10% | 0.104 | 30% | 0.298 | C | S | . | . | trans | -70.1 | 118.7 | -179.8 | -54 | 0 | 0 | 0 | 0 | 109.9 | Y324 V476 C477 I482 Y500 L501 | Y324-T480 HydrophobicContact CD2-CG2 4.27Å; Y324-T480 HydrophobicContact CE2-CG2 4.05Å; V476-T480 HydrophobicContact CB-CG2 4.38Å; V476-T480 HydrophobicContact CG1-CG2 4.25Å; C477-T480 PolarHBondContact N-OG1 2.66Å; C477-T480 VanDerWaalsContact O-CB 3.3Å; C477-T480 WeakPolarHBondContact O-CB 3.42Å; C477-T480 PolarHBondContact O-N 3.33Å; C477-T480 PolarHBondContact O-OG1 2.87Å; C477-T480 PolarHBondContact SG-OG1 3.31Å; T480-I482 HydrophobicContact CG2-CD1 4.1Å; T480-I482 HydrophobicContact CG2-CG1 3.9Å; T480-I482 PolarHBondContact O-N 2.77Å; T480-Y500 WeakPolarHBondContact CB-O 3.47Å; T480-Y500 PolarHBondContact OG1-O 2.92Å; T480-L501 HydrophobicContact CG2-CD2 3.77Å | ||
| 481 | E | 96.4 | Very high | 91.2 | Very high | 58 Ų | 58 | 61.8 Ų | 61.8 | 27% | 0.271 | 32% | 0.322 | S | S | . | . | trans | -79 | 114.6 | 177.4 | -176.1 | 166.6 | -138.2 | 0 | 0 | 110.7 | Y324 T479 L484 K485 | Y324-E481 WeakPolarHBondContact CE2-O 3.48Å; Y324-E481 PolarHBondContact OH-O 3.3Å; T479-E481 PolarHBondContact O-N 2.96Å; E481-L484 HydrophobicContact CB-CD2 4.47Å; E481-L484 WeakPolarHBondContact O-CD2 3.42Å; E481-L484 PolarHBondContact O-N 2.81Å; E481-K485 WeakPolarHBondContact OE1-CD 3.44Å; E481-K485 VanDerWaalsContact OE1-CE 3.24Å; E481-K485 WeakPolarHBondContact OE1-CE 3.46Å; E481-K485 VanDerWaalsContact OE1-CG 3.29Å; E481-K485 WeakPolarHBondContact OE1-CG 3.4Å; E481-K485 IonicContact OE1-NZ 2.69Å; E481-K485 PolarHBondContact OE1-NZ 2.75Å | ||
| 482 | I | 95.3 | Very high | 90.8 | Very high | 91 Ų | 91 | 58.2 Ų | 58.2 | 47% | 0.467 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -129.6 | 117.9 | 179.8 | -55.9 | 173.9 | 0 | 0 | 0 | 108.8 | Y324 Q328 V476 T480 | Y324-I482 HydrophobicContact CE2-CG1 4.14Å; Q328-I482 HydrophobicContact CG-CD1 4.22Å; V476-I482 HydrophobicContact CB-CD1 4.29Å; V476-I482 HydrophobicContact CG1-CD1 3.81Å; T480-I482 HydrophobicContact CG2-CD1 4.1Å; T480-I482 HydrophobicContact CG2-CG1 3.9Å; T480-I482 PolarHBondContact O-N 2.77Å |
| 483 | P | 93.7 | Very high | 90.5 | Very high | 107 Ų | 107 | 58.4 Ų | 58.4 | 70% | 0.695 | 31% | 0.312 | S | S | * | . | S | Bend | cis | -72.5 | 154.1 | -9.4 | 32.5 | -35.6 | 0 | 0 | 0 | 112.2 | ||
| 484 | L | 94.1 | Very high | 90.1 | Very high | 13 Ų | 13 | 55 Ų | 55 | 7% | 0.068 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 141.6 | 175.3 | -68.3 | 173.6 | 0 | 0 | 0 | 112.5 | Y321 Y324 Y373 E481 Y486 T495 I499 | Y321-L484 HydrophobicContact CD1-CD1 3.86Å; Y321-L484 HydrophobicContact CE1-CD1 3.84Å; Y324-L484 HydrophobicContact CD1-CD1 3.86Å; Y324-L484 HydrophobicContact CD1-CG 4.4Å; Y324-L484 HydrophobicContact CD2-CD1 4.07Å; Y324-L484 HydrophobicContact CD2-CD2 4.09Å; Y324-L484 HydrophobicContact CD2-CG 4.11Å; Y324-L484 HydrophobicContact CE1-CD1 3.88Å; Y324-L484 HydrophobicContact CE1-CG 4Å; Y324-L484 HydrophobicContact CE2-CD1 4.08Å; Y324-L484 HydrophobicContact CE2-CD2 3.8Å; Y324-L484 HydrophobicContact CE2-CG 3.67Å; Y324-L484 HydrophobicContact CG-CD1 3.96Å; Y324-L484 HydrophobicContact CG-CG 4.46Å; Y373-L484 HydrophobicContact CE1-CD1 4.31Å; E481-L484 HydrophobicContact CB-CD2 4.47Å; E481-L484 WeakPolarHBondContact O-CD2 3.42Å; E481-L484 PolarHBondContact O-N 2.81Å; L484-Y486 HydrophobicContact CB-CE1 4.3Å; L484-T495 HydrophobicContact CD1-CG2 4.3Å; L484-T495 HydrophobicContact CD2-CG2 4.4Å; L484-I499 HydrophobicContact CD1-CD1 4.08Å; L484-I499 HydrophobicContact CD1-CG1 4.49Å; L484-I499 HydrophobicContact CD2-CG1 4.04Å |
| 485 | K | 92.3 | Very high | 89.8 | Confident | 129 Ų | 129 | 55.6 Ų | 55.6 | 56% | 0.561 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -97.5 | 128.6 | 169.4 | -66.2 | -175.3 | -169.5 | 118.1 | 0 | 111.2 | E481 T495 V496 | E481-K485 WeakPolarHBondContact OE1-CD 3.44Å; E481-K485 VanDerWaalsContact OE1-CE 3.24Å; E481-K485 WeakPolarHBondContact OE1-CE 3.46Å; E481-K485 VanDerWaalsContact OE1-CG 3.29Å; E481-K485 WeakPolarHBondContact OE1-CG 3.4Å; E481-K485 IonicContact OE1-NZ 2.69Å; E481-K485 PolarHBondContact OE1-NZ 2.75Å; K485-T495 CarbonylContact O-C 3.58Å; K485-T495 WeakPolarHBondContact O-CA 3.44Å; K485-V496 HydrophobicContact CB-CG2 4.29Å; K485-V496 PolarHBondContact O-N 2.74Å |
| 486 | Y | 91.5 | Very high | 89.2 | Confident | 51 Ų | 51 | 59.2 Ų | 59.2 | 20% | 0.2 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -98.7 | 148 | 179.3 | -51 | -76 | 0 | 0 | 0 | 112.8 | V51 Y321 Y373 L484 P488 L493 G494 T495 V496 | V51-Y486 WeakPolarHBondContact CG2-O 3.43Å; Y321-Y486 HydrophobicContact CE1-CE1 4.07Å; Y373-Y486 HydrophobicContact CD1-CE1 4.46Å; Y373-Y486 WeakPolarHBondContact CD1-OH 3.38Å; Y373-Y486 WeakPolarHBondContact CE1-OH 3.43Å; L484-Y486 HydrophobicContact CB-CE1 4.3Å; Y486-P488 WeakPolarHBondContact O-CD 3.49Å; Y486-L493 HydrophobicContact CD1-CD1 3.61Å; Y486-L493 HydrophobicContact CD1-CD2 4.49Å; Y486-L493 HydrophobicContact CD1-CG 3.8Å; Y486-L493 HydrophobicContact CD2-CD1 4.12Å; Y486-L493 HydrophobicContact CE1-CD1 4Å; Y486-L493 HydrophobicContact CE1-CD2 4.11Å; Y486-L493 HydrophobicContact CE1-CG 3.9Å; Y486-L493 HydrophobicContact CE2-CD1 4.47Å; Y486-L493 HydrophobicContact CG-CD1 3.67Å; Y486-L493 HydrophobicContact CG-CG 4.37Å; Y486-G494 CarbonylContact C-O 3.57Å; Y486-G494 VanDerWaalsContact CA-O 3.28Å; Y486-G494 WeakPolarHBondContact CA-O 3.44Å; Y486-G494 WeakPolarHBondContact CB-O 3.29Å; Y486-T495 HydrophobicContact CD1-CG2 4.42Å; Y486-V496 WeakPolarHBondContact O-CG2 3.33Å |
| 487 | S | 86.8 | Confident | 88.7 | Confident | 29 Ų | 29 | 58.1 Ų | 58.1 | 20% | 0.203 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 121 | 178.6 | 177.2 | 0 | 0 | 0 | 0 | 110.6 | M489 S490 G494 | S487-M489 PolarHBondContact O-N 2.86Å; S487-M489 PolarHBondContact OG-N 2.91Å; S487-S490 PolarHBondContact O-N 3Å; S487-G494 PolarHBondContact N-O 2.69Å |
| 488 | P | 80.6 | Confident | 88.5 | Confident | 29 Ų | 29 | 58.3 Ų | 58.3 | 19% | 0.188 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -8.9 | 177.6 | 31.5 | -36.3 | 0 | 0 | 0 | 113.4 | N49 Y486 | N49-P488 VanDerWaalsContact C-CB 3.43Å; N49-P488 HydrophobicContact CB-CB 4.33Å; N49-P488 HydrophobicContact CB-CG 3.94Å; N49-P488 VanDerWaalsContact O-CB 3.27Å; N49-P488 WeakPolarHBondContact O-CB 3.21Å; Y486-P488 WeakPolarHBondContact O-CD 3.49Å |
| 489 | M | 70.5 | Confident | 88.5 | Confident | 103 Ų | 103 | 50.5 Ų | 50.5 | 51% | 0.507 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -11.4 | 179.1 | -63.3 | -166.2 | -66.1 | 0 | 0 | 112.8 | K221 S487 | K221-M489 WeakPolarHBondContact CE-SD 3.33Å; K221-M489 PolarHBondContact NZ-SD 3.36Å; S487-M489 PolarHBondContact O-N 2.86Å; S487-M489 PolarHBondContact OG-N 2.91Å |
| 490 | S | 75.1 | Confident | 88.7 | Confident | 24 Ų | 24 | 50.9 Ų | 50.9 | 17% | 0.168 | 28% | 0.281 | C | S | . | . | trans | -77.6 | 137 | -179.3 | -176.2 | 0 | 0 | 0 | 0 | 110.9 | S487 V492 | S487-S490 PolarHBondContact O-N 3Å; S490-V492 VanDerWaalsContact C-N 3.32Å; S490-V492 WeakPolarHBondContact CB-O 3.37Å; S490-V492 PolarHBondContact OG-N 3.4Å; S490-V492 PolarHBondContact OG-O 3.32Å | ||
| 491 | I | 73.8 | Confident | 88.7 | Confident | 120 Ų | 120 | 50.1 Ų | 50.1 | 62% | 0.615 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -74.1 | -30.3 | 175.3 | -60.2 | 173.8 | 0 | 0 | 0 | 110.5 | ||
| 492 | V | 86.6 | Confident | 88.7 | Confident | 19 Ų | 19 | 50.4 Ų | 50.4 | 12% | 0.115 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -101.6 | 163.3 | 171.2 | -63.2 | 0 | 0 | 0 | 0 | 110.6 | F214 E313 L375 V376 S490 G494 | F214-V492 HydrophobicContact CD1-CG2 4.33Å; F214-V492 HydrophobicContact CE1-CG1 4.47Å; F214-V492 HydrophobicContact CE1-CG2 4.26Å; E313-V492 HydrophobicContact CG-CG2 4.4Å; L375-V492 CarbonylContact O-C 3.32Å; L375-V492 WeakPolarHBondContact O-CA 3.47Å; L375-V492 WeakPolarHBondContact O-CB 3.12Å; V376-V492 HydrophobicContact CG2-CG1 4.43Å; S490-V492 VanDerWaalsContact C-N 3.32Å; S490-V492 WeakPolarHBondContact CB-O 3.37Å; S490-V492 PolarHBondContact OG-N 3.4Å; S490-V492 PolarHBondContact OG-O 3.32Å; V492-G494 VanDerWaalsContact C-N 3.32Å; V492-G494 PolarHBondContact O-N 3.5Å |
| 493 | L | 90.6 | Very high | 88.8 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | trans | -67.4 | 89.9 | 173.1 | -171.2 | 69.3 | 0 | 0 | 0 | 110.3 | V51 H53 Y321 Y373 L375 Y486 | V51-L493 HydrophobicContact CG1-CD1 4.03Å; H53-L493 HydrophobicContact CB-CD1 4.43Å; Y321-L493 PolarHBondContact OH-O 3.44Å; Y373-L493 HydrophobicContact CD1-CD2 4.21Å; L375-L493 HydrophobicContact CD2-CB 4.38Å; L375-L493 PolarHBondContact O-N 2.94Å; Y486-L493 HydrophobicContact CD1-CD1 3.61Å; Y486-L493 HydrophobicContact CD1-CD2 4.49Å; Y486-L493 HydrophobicContact CD1-CG 3.8Å; Y486-L493 HydrophobicContact CD2-CD1 4.12Å; Y486-L493 HydrophobicContact CE1-CD1 4Å; Y486-L493 HydrophobicContact CE1-CD2 4.11Å; Y486-L493 HydrophobicContact CE1-CG 3.9Å; Y486-L493 HydrophobicContact CE2-CD1 4.47Å; Y486-L493 HydrophobicContact CG-CD1 3.67Å; Y486-L493 HydrophobicContact CG-CG 4.37Å | ||
| 494 | G | 88.2 | Confident | 88.9 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | trans | -112.9 | 148 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y486 S487 V492 | Y486-G494 CarbonylContact C-O 3.57Å; Y486-G494 VanDerWaalsContact CA-O 3.28Å; Y486-G494 WeakPolarHBondContact CA-O 3.44Å; Y486-G494 WeakPolarHBondContact CB-O 3.29Å; S487-G494 PolarHBondContact N-O 2.69Å; V492-G494 VanDerWaalsContact C-N 3.32Å; V492-G494 PolarHBondContact O-N 3.5Å | ||
| 495 | T | 90.4 | Very high | 88.8 | Confident | 12 Ų | 12 | 48 Ų | 48 | 7% | 0.074 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -75 | 152.3 | 174.7 | 51.5 | 0 | 0 | 0 | 0 | 112.9 | K176 Y321 L484 K485 Y486 G497 I499 | K176-T495 PolarHBondContact NZ-OG1 2.6Å; Y321-T495 HydrophobicContact CE1-CG2 3.85Å; L484-T495 HydrophobicContact CD1-CG2 4.3Å; L484-T495 HydrophobicContact CD2-CG2 4.4Å; K485-T495 CarbonylContact O-C 3.58Å; K485-T495 WeakPolarHBondContact O-CA 3.44Å; Y486-T495 HydrophobicContact CD1-CG2 4.42Å; T495-G497 WeakPolarHBondContact CB-O 3.31Å; T495-G497 PolarHBondContact OG1-O 3.38Å; T495-I499 HydrophobicContact CG2-CD1 4.18Å; T495-I499 HydrophobicContact CG2-CG1 4.2Å |
| 496 | V | 86.1 | Confident | 88.6 | Confident | 101 Ų | 101 | 48 Ų | 48 | 61% | 0.612 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -68.2 | -36.4 | 172.2 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | K485 Y486 | K485-V496 HydrophobicContact CB-CG2 4.29Å; K485-V496 PolarHBondContact O-N 2.74Å; Y486-V496 WeakPolarHBondContact O-CG2 3.33Å |
| 497 | G | 86.3 | Confident | 88.4 | Confident | 38 Ų | 38 | 47.9 Ų | 47.9 | 39% | 0.392 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -118.4 | -166.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | T495 | T495-G497 WeakPolarHBondContact CB-O 3.31Å; T495-G497 PolarHBondContact OG1-O 3.38Å |
| 498 | G | 91.4 | Very high | 88.5 | Confident | 20 Ų | 20 | 48.9 Ų | 48.9 | 21% | 0.206 | 26% | 0.258 | C | S | . | . | trans | -75.3 | 172.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113 | E174 | E174-G498 WeakPolarHBondContact OE1-CA 3.37Š| ||
| 499 | I | 97.1 | Very high | 88.9 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | trans | -109.3 | 107.4 | 169.4 | -64.7 | 174.7 | 0 | 0 | 0 | 107.1 | E174 I175 Y321 Y324 L484 T495 L501 | E174-I499 CarbonylContact C-O 3.57Å; E174-I499 PolarHBondContact OE1-N 3.03Å; I175-I499 HydrophobicContact CB-CG2 4.48Å; I175-I499 WeakPolarHBondContact CB-O 3.26Å; I175-I499 PolarHBondContact N-O 3.5Å; Y321-I499 HydrophobicContact CD1-CD1 3.84Å; Y321-I499 HydrophobicContact CE1-CD1 3.87Å; Y324-I499 HydrophobicContact CD2-CG2 4.22Å; L484-I499 HydrophobicContact CD1-CD1 4.08Å; L484-I499 HydrophobicContact CD1-CG1 4.49Å; L484-I499 HydrophobicContact CD2-CG1 4.04Å; T495-I499 HydrophobicContact CG2-CD1 4.18Å; T495-I499 HydrophobicContact CG2-CG1 4.2Å; I499-L501 HydrophobicContact CG2-CD1 4.32Å; I499-L501 HydrophobicContact CG2-CD2 4.5Å; I499-L501 HydrophobicContact CG2-CG 4.15Å | ||
| 500 | Y | 97.9 | Very high | 90 | Very high | 96 Ų | 96 | 46.9 Ų | 46.9 | 38% | 0.376 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 124.2 | -178.9 | -63 | -92.7 | 0 | 0 | 0 | 110.1 | V172 L173 E174 T479 T480 | V172-Y500 HydrophobicContact CG1-CD1 4.41Å; L173-Y500 WeakPolarHBondContact O-CA 3.28Å; E174-Y500 HydrophobicContact CB-CD1 3.87Å; E174-Y500 HydrophobicContact CB-CE1 3.57Å; E174-Y500 HydrophobicContact CG-CD1 3.9Å; E174-Y500 HydrophobicContact CG-CD2 4.42Å; E174-Y500 HydrophobicContact CG-CE1 3.42Å; E174-Y500 VanDerWaalsContact CG-CE1 3.42Å; E174-Y500 HydrophobicContact CG-CE2 3.98Å; E174-Y500 HydrophobicContact CG-CG 4.38Å; E174-Y500 VanDerWaalsContact CG-CZ 3.46Å; T479-Y500 HydrophobicContact CG2-CD1 4.44Å; T479-Y500 HydrophobicContact CG2-CD2 3.94Å; T479-Y500 HydrophobicContact CG2-CG 3.89Å; T480-Y500 WeakPolarHBondContact CB-O 3.47Å; T480-Y500 PolarHBondContact OG1-O 2.92Å |
| 501 | L | 97.8 | Very high | 91 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 152.7 | 177.2 | -59 | 176.6 | 0 | 0 | 0 | 110 | V172 L173 I175 L323 A327 V474 T480 I499 | V172-L501 WeakPolarHBondContact CA-O 3.29Å; L173-L501 PolarHBondContact N-O 3Å; L173-L501 PolarHBondContact O-N 3.03Å; I175-L501 HydrophobicContact CD1-CB 4.33Å; I175-L501 HydrophobicContact CG1-CB 3.81Å; I175-L501 HydrophobicContact CG1-CD1 3.86Å; I175-L501 HydrophobicContact CG1-CG 3.88Å; L323-L501 HydrophobicContact CB-CD1 4.04Å; L323-L501 WeakPolarHBondContact O-CD1 3.24Å; A327-L501 HydrophobicContact CB-CD1 4.02Å; A327-L501 HydrophobicContact CB-CD2 3.77Å; A327-L501 HydrophobicContact CB-CG 4.47Å; V474-L501 HydrophobicContact CG1-CB 3.6Å; V474-L501 HydrophobicContact CG1-CD1 3.44Å; V474-L501 VanDerWaalsContact CG1-CD1 3.44Å; V474-L501 HydrophobicContact CG1-CG 4.08Å; T480-L501 HydrophobicContact CG2-CD2 3.77Å; I499-L501 HydrophobicContact CG2-CD1 4.32Å; I499-L501 HydrophobicContact CG2-CD2 4.5Å; I499-L501 HydrophobicContact CG2-CG 4.15Å |
| 502 | R | 96.8 | Very high | 92.1 | Very high | 64 Ų | 64 | 43.5 Ų | 43.5 | 24% | 0.242 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 133.1 | 168.2 | -178.3 | 174.1 | -57.7 | -81.6 | -2.5 | 108.8 | N169 V474 S475 C477 E504 | N169-R502 PolarHBondContact O-NH1 3.06Å; V474-R502 CarbonylContact C-O 3.51Å; V474-R502 VanDerWaalsContact CA-O 3.31Å; V474-R502 WeakPolarHBondContact CA-O 3.42Å; S475-R502 PolarHBondContact N-O 2.84Å; S475-R502 PolarHBondContact O-N 2.8Å; C477-R502 HydrophobicContact CB-CB 4.15Å; R502-E504 WeakPolarHBondContact CD-OE1 3.19Å; R502-E504 HydrophobicContact CG-CG 4.26Å |
| 503 | V | 97.3 | Very high | 92.5 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 124.2 | 178.9 | -174.5 | 0 | 0 | 0 | 0 | 108.4 | I160 V164 G170 A171 L173 I175 F472 R473 V474 | I160-V503 HydrophobicContact CG2-CG1 4.3Å; V164-V503 WeakPolarHBondContact CG1-O 3.27Å; V164-V503 HydrophobicContact CG2-CB 4.05Å; V164-V503 HydrophobicContact CG2-CG1 3.96Å; G170-V503 CarbonylContact C-O 3.55Å; G170-V503 WeakPolarHBondContact CA-O 3.24Å; A171-V503 PolarHBondContact N-O 3.45Å; A171-V503 PolarHBondContact O-N 2.96Å; L173-V503 HydrophobicContact CB-CG2 4.27Å; L173-V503 HydrophobicContact CD1-CB 4.14Å; L173-V503 HydrophobicContact CD1-CG2 3.92Å; L173-V503 HydrophobicContact CG-CB 4.4Å; L173-V503 HydrophobicContact CG-CG2 4.1Å; I175-V503 HydrophobicContact CD1-CG2 3.96Å; F472-V503 HydrophobicContact CB-CG1 3.72Å; F472-V503 HydrophobicContact CD1-CG1 3.74Å; F472-V503 HydrophobicContact CG-CG1 3.89Å; R473-V503 WeakPolarHBondContact O-CA 3.41Å; V474-V503 HydrophobicContact CG2-CG2 4.4Å |
| 504 | E | 95 | Very high | 92.6 | Very high | 56 Ų | 56 | 48.2 Ų | 48.2 | 26% | 0.262 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 136.9 | -177.5 | -71.4 | 166 | -174.7 | 0 | 0 | 109.3 | F472 R473 R502 | F472-E504 CarbonylContact C-O 3.56Å; F472-E504 WeakPolarHBondContact CA-O 3.09Å; F472-E504 WeakPolarHBondContact CB-O 3.37Å; R473-E504 HydrophobicContact CB-CB 4.43Å; R473-E504 PolarHBondContact N-O 2.84Å; R473-E504 PolarHBondContact O-N 3.05Å; R502-E504 WeakPolarHBondContact CD-OE1 3.19Å; R502-E504 HydrophobicContact CG-CG 4.26Å |
| 505 | R | 92.1 | Very high | 93 | Very high | 103 Ų | 103 | 52 Ų | 52 | 39% | 0.389 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 140.8 | 171.1 | -65.1 | -172 | -165.3 | 179.5 | 14.6 | 109.4 | T161 V164 F472 | T161-R505 VanDerWaalsContact C-NH2 3.32Å; T161-R505 VanDerWaalsContact CG2-NH2 3.33Å; T161-R505 PolarHBondContact O-NH2 2.86Å; V164-R505 HydrophobicContact CB-CG 4.49Å; V164-R505 HydrophobicContact CG1-CG 3.99Å; V164-R505 PolarHBondContact O-NE 3Å; V164-R505 PolarHBondContact O-NH2 2.84Å; F472-R505 HydrophobicContact CD1-CG 3.96Å; F472-R505 HydrophobicContact CE1-CG 3.68Å |
| 506 | I | 87.9 | Confident | 93.2 | Very high | 129 Ų | 129 | 55.6 Ų | 55.6 | 66% | 0.662 | 29% | 0.288 | S | S | * | . | trans | -110.1 | 0 | 174.7 | 51.1 | 168.2 | 0 | 0 | 0 | 111.9 | R337 R471 R473 | R337-I506 VanDerWaalsContact CD-CD1 3.5Å; R471-I506 VanDerWaalsContact O-CG1 3.28Å; R471-I506 WeakPolarHBondContact O-CG1 3.42Å; R471-I506 PolarHBondContact O-N 3.46Å; R473-I506 HydrophobicContact CB-CG2 3.99Å |
Retrieved 506 of 506 residues in 674.8 ms
(Link to these results)