| 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 | 73.1 | Confident | 90.1 | Very high | 171 Ų | 171 | 113.1 Ų | 113.1 | 84% | 0.842 | 58% | 0.579 | S | S | * | * | 0 | -58.4 | 0 | -161.9 | 165.9 | 68.1 | 0 | 0 | 112 | V3 L4 I5 | M1-V3 PolarHBondContact O-N 3.26Å; M1-L4 PolarHBondContact O-N 2.98Å; M1-I5 HydrophobicContact CG-CD1 4.27Å; M1-I5 PolarHBondContact O-N 2.91Å | |||
| 2 | F | 86.3 | Confident | 90.2 | Very high | 142 Ų | 142 | 108.5 Ų | 108.5 | 62% | 0.623 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -58.3 | -40 | 179.7 | -66.3 | -75.8 | 0 | 0 | 0 | 115 | L4 I5 Y6 | F2-L4 VanDerWaalsContact C-N 3.33Å; F2-L4 PolarHBondContact O-N 3.17Å; F2-I5 PolarHBondContact O-N 2.75Å; F2-I5 VanDerWaalsContact O-N 3.15Å; F2-Y6 HydrophobicContact CB-CD2 4.37Å; F2-Y6 HydrophobicContact CB-CE2 4.08Å; F2-Y6 WeakPolarHBondContact O-CD2 3.36Å; F2-Y6 PolarHBondContact O-N 2.74Å |
| 3 | V | 89.2 | Confident | 90.3 | Very high | 105 Ų | 105 | 105.3 Ų | 105.3 | 64% | 0.636 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60 | -40.5 | 176.7 | 177.9 | 0 | 0 | 0 | 0 | 112.4 | M1 I5 Y6 L7 | M1-V3 PolarHBondContact O-N 3.26Å; V3-I5 VanDerWaalsContact C-N 3.34Å; V3-Y6 PolarHBondContact O-N 2.8Å; V3-L7 HydrophobicContact CG1-CD1 4.1Å; V3-L7 WeakPolarHBondContact O-CB 3.34Å; V3-L7 WeakPolarHBondContact O-CG 3.34Å; V3-L7 PolarHBondContact O-N 3.02Å |
| 4 | L | 89.8 | Confident | 90.4 | Very high | 124 Ų | 124 | 104.9 Ų | 104.9 | 65% | 0.649 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.4 | -37.1 | 177 | -69.4 | 170.6 | 0 | 0 | 0 | 111.5 | M1 F2 L8 | M1-L4 PolarHBondContact O-N 2.98Å; F2-L4 VanDerWaalsContact C-N 3.33Å; F2-L4 PolarHBondContact O-N 3.17Å; L4-L8 WeakPolarHBondContact O-CB 3.42Å; L4-L8 PolarHBondContact O-N 2.86Å |
| 5 | I | 92.6 | Very high | 90.3 | Very high | 80 Ų | 80 | 105 Ų | 105 | 41% | 0.41 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.7 | -46.6 | 175.9 | -64.2 | 169.6 | 0 | 0 | 0 | 110.3 | M1 F2 V3 L7 L8 I9 | M1-I5 HydrophobicContact CG-CD1 4.27Å; M1-I5 PolarHBondContact O-N 2.91Å; F2-I5 PolarHBondContact O-N 2.75Å; F2-I5 VanDerWaalsContact O-N 3.15Å; V3-I5 VanDerWaalsContact C-N 3.34Å; I5-L7 PolarHBondContact O-N 2.81Å; I5-L8 PolarHBondContact O-N 2.92Å; I5-I9 HydrophobicContact CG2-CD1 3.83Å; I5-I9 VanDerWaalsContact O-CG1 3.32Å; I5-I9 WeakPolarHBondContact O-CG1 3.17Å; I5-I9 PolarHBondContact O-N 3.36Å |
| 6 | Y | 93.7 | Very high | 90.2 | Very high | 159 Ų | 159 | 102 Ų | 102 | 62% | 0.624 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.1 | -40.7 | 176.7 | -71.3 | -60.1 | 0 | 0 | 0 | 112.6 | F2 V3 L8 I9 A10 | F2-Y6 HydrophobicContact CB-CD2 4.37Å; F2-Y6 HydrophobicContact CB-CE2 4.08Å; F2-Y6 WeakPolarHBondContact O-CD2 3.36Å; F2-Y6 PolarHBondContact O-N 2.74Å; V3-Y6 PolarHBondContact O-N 2.8Å; Y6-L8 VanDerWaalsContact C-N 3.35Å; Y6-I9 PolarHBondContact O-N 2.68Å; Y6-A10 VanDerWaalsContact O-CB 3.31Å; Y6-A10 WeakPolarHBondContact O-CB 3.42Å; Y6-A10 PolarHBondContact O-N 3.23Å |
| 7 | L | 92.8 | Very high | 90.2 | Very high | 95 Ų | 95 | 103.8 Ų | 103.8 | 50% | 0.497 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 174 | -78.7 | 169.2 | 0 | 0 | 0 | 111.5 | V3 I5 A10 I11 | V3-L7 HydrophobicContact CG1-CD1 4.1Å; V3-L7 WeakPolarHBondContact O-CB 3.34Å; V3-L7 WeakPolarHBondContact O-CG 3.34Å; V3-L7 PolarHBondContact O-N 3.02Å; I5-L7 PolarHBondContact O-N 2.81Å; L7-A10 PolarHBondContact O-N 2.62Å; L7-I11 WeakPolarHBondContact O-CB 3.26Å; L7-I11 WeakPolarHBondContact O-CD1 3.29Å; L7-I11 WeakPolarHBondContact O-CG1 3.44Å; L7-I11 PolarHBondContact O-N 3.25Å |
| 8 | L | 93.3 | Very high | 90 | Very high | 125 Ų | 125 | 102.7 Ų | 102.7 | 65% | 0.654 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.8 | -42.7 | 178.6 | -166.4 | 118.9 | 0 | 0 | 0 | 111.6 | L4 I5 Y6 I11 S12 | L4-L8 WeakPolarHBondContact O-CB 3.42Å; L4-L8 PolarHBondContact O-N 2.86Å; I5-L8 PolarHBondContact O-N 2.92Å; Y6-L8 VanDerWaalsContact C-N 3.35Å; L8-I11 PolarHBondContact O-N 2.6Å; L8-S12 WeakPolarHBondContact O-CB 3.31Å; L8-S12 PolarHBondContact O-N 2.97Å; L8-S12 PolarHBondContact O-OG 3.13Å |
| 9 | I | 94.1 | Very high | 89.8 | Confident | 86 Ų | 86 | 102.3 Ų | 102.3 | 44% | 0.441 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 176.1 | -67.4 | 167.7 | 0 | 0 | 0 | 111.3 | I5 Y6 S12 S13 | I5-I9 HydrophobicContact CG2-CD1 3.83Å; I5-I9 VanDerWaalsContact O-CG1 3.32Å; I5-I9 WeakPolarHBondContact O-CG1 3.17Å; I5-I9 PolarHBondContact O-N 3.36Å; Y6-I9 PolarHBondContact O-N 2.68Å; I9-S12 WeakPolarHBondContact CA-OG 3.48Å; I9-S12 PolarHBondContact O-N 3.49Å; I9-S12 PolarHBondContact O-OG 2.87Å; I9-S13 VanDerWaalsContact O-CB 3.25Å; I9-S13 WeakPolarHBondContact O-CB 3.42Å; I9-S13 PolarHBondContact O-N 3.33Å; I9-S13 PolarHBondContact O-OG 3.28Å |
| 10 | A | 93.3 | Very high | 89.7 | Confident | 59 Ų | 59 | 103.1 Ų | 103.1 | 49% | 0.488 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y6 L7 S13 L14 | Y6-A10 VanDerWaalsContact O-CB 3.31Å; Y6-A10 WeakPolarHBondContact O-CB 3.42Å; Y6-A10 PolarHBondContact O-N 3.23Å; L7-A10 PolarHBondContact O-N 2.62Å; A10-S13 PolarHBondContact O-N 2.89Å; A10-L14 VanDerWaalsContact O-CB 3.31Å; A10-L14 WeakPolarHBondContact O-CB 3.14Å; A10-L14 PolarHBondContact O-N 2.93Å |
| 11 | I | 92.5 | Very high | 89.6 | Confident | 98 Ų | 98 | 104.4 Ų | 104.4 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64 | -46.7 | 175.8 | -69 | 166.4 | 0 | 0 | 0 | 110.4 | L7 L8 S13 L14 L15 | L7-I11 WeakPolarHBondContact O-CB 3.26Å; L7-I11 WeakPolarHBondContact O-CD1 3.29Å; L7-I11 WeakPolarHBondContact O-CG1 3.44Å; L7-I11 PolarHBondContact O-N 3.25Å; L8-I11 PolarHBondContact O-N 2.6Å; I11-S13 VanDerWaalsContact C-N 3.34Å; I11-S13 PolarHBondContact O-N 2.9Å; I11-L14 PolarHBondContact O-N 3.1Å; I11-L15 HydrophobicContact CG2-CD1 3.81Å; I11-L15 HydrophobicContact CG2-CG 4.26Å; I11-L15 WeakPolarHBondContact O-CB 3.36Å; I11-L15 VanDerWaalsContact O-CG 3.23Å; I11-L15 WeakPolarHBondContact O-CG 3.43Å; I11-L15 PolarHBondContact O-N 3.18Å |
| 12 | S | 91.3 | Very high | 90.3 | Very high | 58 Ų | 58 | 98.5 Ų | 98.5 | 41% | 0.406 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64 | -39.6 | -179.9 | 67.6 | 0 | 0 | 0 | 0 | 111.9 | L8 I9 L15 A16 | L8-S12 WeakPolarHBondContact O-CB 3.31Å; L8-S12 PolarHBondContact O-N 2.97Å; L8-S12 PolarHBondContact O-OG 3.13Å; I9-S12 WeakPolarHBondContact CA-OG 3.48Å; I9-S12 PolarHBondContact O-N 3.49Å; I9-S12 PolarHBondContact O-OG 2.87Å; S12-L15 PolarHBondContact O-N 3.21Å; S12-A16 VanDerWaalsContact O-CB 3.31Å; S12-A16 WeakPolarHBondContact O-CB 3.49Å; S12-A16 PolarHBondContact O-N 3.18Å |
| 13 | S | 92.5 | Very high | 90.5 | Very high | 67 Ų | 67 | 92.6 Ų | 92.6 | 47% | 0.469 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.5 | -42.2 | 177.1 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | I9 A10 I11 A16 Y17 | I9-S13 VanDerWaalsContact O-CB 3.25Å; I9-S13 WeakPolarHBondContact O-CB 3.42Å; I9-S13 PolarHBondContact O-N 3.33Å; I9-S13 PolarHBondContact O-OG 3.28Å; A10-S13 PolarHBondContact O-N 2.89Å; I11-S13 VanDerWaalsContact C-N 3.34Å; I11-S13 PolarHBondContact O-N 2.9Å; S13-A16 PolarHBondContact O-N 3.09Å; S13-Y17 WeakPolarHBondContact O-CB 3.13Å; S13-Y17 PolarHBondContact O-N 2.69Å |
| 14 | L | 91.9 | Very high | 90.6 | Very high | 100 Ų | 100 | 89.7 Ų | 89.7 | 52% | 0.524 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 173.9 | 178.1 | 62.8 | 0 | 0 | 0 | 111.2 | A10 I11 Y17 L18 | A10-L14 VanDerWaalsContact O-CB 3.31Å; A10-L14 WeakPolarHBondContact O-CB 3.14Å; A10-L14 PolarHBondContact O-N 2.93Å; I11-L14 PolarHBondContact O-N 3.1Å; L14-Y17 PolarHBondContact O-N 3.15Å; L14-L18 HydrophobicContact CD1-CD1 4.2Å; L14-L18 HydrophobicContact CD1-CG 4.18Å; L14-L18 HydrophobicContact CG-CD1 4.1Å; L14-L18 HydrophobicContact CG-CG 4.46Å; L14-L18 WeakPolarHBondContact O-CB 3.38Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.2Å; L14-L18 PolarHBondContact O-N 3.44Å |
| 15 | L | 87.9 | Confident | 90.9 | Very high | 106 Ų | 106 | 84.8 Ų | 84.8 | 56% | 0.555 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62.6 | -43.8 | 176.7 | -72 | 173.6 | 0 | 0 | 0 | 111.5 | I11 S12 L18 Y19 | I11-L15 HydrophobicContact CG2-CD1 3.81Å; I11-L15 HydrophobicContact CG2-CG 4.26Å; I11-L15 WeakPolarHBondContact O-CB 3.36Å; I11-L15 VanDerWaalsContact O-CG 3.23Å; I11-L15 WeakPolarHBondContact O-CG 3.43Å; I11-L15 PolarHBondContact O-N 3.18Å; S12-L15 PolarHBondContact O-N 3.21Å; L15-L18 PolarHBondContact O-N 2.86Å; L15-Y19 WeakPolarHBondContact O-CB 3.33Å; L15-Y19 PolarHBondContact O-N 2.83Å |
| 16 | A | 88.9 | Confident | 91.1 | Very high | 57 Ų | 57 | 81 Ų | 81 | 47% | 0.471 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S12 S13 Y19 H20 | S12-A16 VanDerWaalsContact O-CB 3.31Å; S12-A16 WeakPolarHBondContact O-CB 3.49Å; S12-A16 PolarHBondContact O-N 3.18Å; S13-A16 PolarHBondContact O-N 3.09Å; A16-Y19 PolarHBondContact O-N 3.43Å; A16-H20 VanDerWaalsContact O-CB 3.28Å; A16-H20 WeakPolarHBondContact O-CB 3.3Å; A16-H20 PolarHBondContact O-N 3.35Å |
| 17 | Y | 90.4 | Very high | 91.1 | Very high | 133 Ų | 133 | 78.3 Ų | 78.3 | 52% | 0.522 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.8 | -47.6 | 175.3 | 171.7 | -106.1 | 0 | 0 | 0 | 112 | S13 L14 Y19 H20 R21 | S13-Y17 WeakPolarHBondContact O-CB 3.13Å; S13-Y17 PolarHBondContact O-N 2.69Å; L14-Y17 PolarHBondContact O-N 3.15Å; Y17-Y19 VanDerWaalsContact C-N 3.32Å; Y17-Y19 PolarHBondContact O-N 3.46Å; Y17-H20 PolarHBondContact O-N 2.83Å; Y17-R21 WeakPolarHBondContact O-CB 3.37Å; Y17-R21 PolarHBondContact O-N 2.91Å |
| 18 | L | 86.7 | Confident | 91.2 | Very high | 84 Ų | 84 | 79.8 Ų | 79.8 | 44% | 0.44 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | 177.7 | -71 | 176 | 0 | 0 | 0 | 111.4 | L14 L15 R21 N22 | L14-L18 HydrophobicContact CD1-CD1 4.2Å; L14-L18 HydrophobicContact CD1-CG 4.18Å; L14-L18 HydrophobicContact CG-CD1 4.1Å; L14-L18 HydrophobicContact CG-CG 4.46Å; L14-L18 WeakPolarHBondContact O-CB 3.38Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.2Å; L14-L18 PolarHBondContact O-N 3.44Å; L15-L18 PolarHBondContact O-N 2.86Å; L18-R21 PolarHBondContact O-N 3.42Å; L18-N22 WeakPolarHBondContact O-CB 3.19Å; L18-N22 PolarHBondContact O-N 3.24Å |
| 19 | Y | 86.2 | Confident | 91.2 | Very high | 94 Ų | 94 | 77.3 Ų | 77.3 | 37% | 0.369 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.2 | -53.2 | 175.6 | 175.4 | -93.9 | 0 | 0 | 0 | 111.2 | L15 A16 Y17 R21 N22 F23 P38 | L15-Y19 WeakPolarHBondContact O-CB 3.33Å; L15-Y19 PolarHBondContact O-N 2.83Å; A16-Y19 PolarHBondContact O-N 3.43Å; Y17-Y19 VanDerWaalsContact C-N 3.32Å; Y17-Y19 PolarHBondContact O-N 3.46Å; Y19-R21 PolarHBondContact O-N 2.81Å; Y19-N22 PolarHBondContact O-N 3.34Å; Y19-F23 AromaticContact CD2-CD2 3.99Å; Y19-F23 HydrophobicContact CD2-CD2 3.99Å; Y19-F23 AromaticContact CD2-CE2 3.83Å; Y19-F23 HydrophobicContact CD2-CE2 3.83Å; Y19-F23 HydrophobicContact CD2-CZ 4.32Å; Y19-F23 HydrophobicContact CE1-CD1 4.33Å; Y19-F23 HydrophobicContact CE1-CG 4.36Å; Y19-F23 AromaticContact CE2-CD1 4Å; Y19-F23 HydrophobicContact CE2-CD1 4Å; Y19-F23 AromaticContact CE2-CD2 3.75Å; Y19-F23 HydrophobicContact CE2-CD2 3.75Å; Y19-F23 AromaticContact CE2-CE1 3.75Å; Y19-F23 HydrophobicContact CE2-CE1 3.75Å; Y19-F23 AromaticContact CE2-CE2 3.41Å; Y19-F23 HydrophobicContact CE2-CE2 3.41Å; Y19-F23 VanDerWaalsContact CE2-CE2 3.41Å; Y19-F23 HydrophobicContact CE2-CG 4.08Å; Y19-F23 AromaticContact CE2-CZ 3.46Å; Y19-F23 HydrophobicContact CE2-CZ 3.46Å; Y19-F23 VanDerWaalsContact CE2-CZ 3.46Å; Y19-F23 AromaticContact CZ-CD1 3.64Å; Y19-F23 AromaticContact CZ-CE1 3.7Å; Y19-F23 AromaticContact CZ-CG 3.93Å; Y19-F23 AromaticContact CZ-CZ 3.93Å; Y19-F23 WeakPolarHBondContact O-CB 3.48Å; Y19-F23 WeakPolarHBondContact O-CD2 3.31Å; Y19-F23 PolarHBondContact O-N 2.97Å; Y19-F23 VanDerWaalsContact OH-CD1 3.25Å; Y19-F23 WeakPolarHBondContact OH-CD1 3.4Å; Y19-F23 WeakPolarHBondContact OH-CE1 3.35Å; Y19-P38 WeakPolarHBondContact OH-CA 3.35Å; Y19-P38 WeakPolarHBondContact OH-CB 3.35Å |
| 20 | H | 87.7 | Confident | 91.2 | Very high | 118 Ų | 118 | 75.9 Ų | 75.9 | 55% | 0.546 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 178.1 | -175.3 | 81.3 | 0 | 0 | 0 | 111.9 | A16 Y17 N22 F23 N24 | A16-H20 VanDerWaalsContact O-CB 3.28Å; A16-H20 WeakPolarHBondContact O-CB 3.3Å; A16-H20 PolarHBondContact O-N 3.35Å; Y17-H20 PolarHBondContact O-N 2.83Å; H20-N22 VanDerWaalsContact C-N 3.28Å; H20-N22 PolarHBondContact O-N 3.29Å; H20-F23 PolarHBondContact O-N 3.34Å; H20-N24 PolarHBondContact CE1-ND2 3.21Å; H20-N24 PolarHBondContact ND1-ND2 2.79Å; H20-N24 PolarHBondContact NE2-ND2 3.37Å; H20-N24 WeakPolarHBondContact O-CB 3.39Å; H20-N24 PolarHBondContact O-N 2.9Å |
| 21 | R | 88.1 | Confident | 91.4 | Very high | 132 Ų | 132 | 73.3 Ų | 73.3 | 50% | 0.498 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.6 | -42.1 | 176.4 | -178.4 | 176.4 | 175.6 | 179.6 | 0.4 | 110.9 | Y17 L18 Y19 Y25 R28 | Y17-R21 WeakPolarHBondContact O-CB 3.37Å; Y17-R21 PolarHBondContact O-N 2.91Å; L18-R21 PolarHBondContact O-N 3.42Å; Y19-R21 PolarHBondContact O-N 2.81Å; R21-Y25 PolarHBondContact O-N 2.89Å; R21-R28 VanDerWaalsContact O-CZ 3.22Å; R21-R28 PolarHBondContact O-NH1 3.1Å; R21-R28 PolarHBondContact O-NH2 3.15Å |
| 22 | N | 88 | Confident | 91.6 | Very high | 47 Ų | 47 | 70.3 Ų | 70.3 | 25% | 0.251 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -73.9 | -42.5 | -177.4 | -175.9 | 63.3 | 0 | 0 | 0 | 112.2 | L18 Y19 H20 N24 Y25 Y74 H77 P79 | L18-N22 WeakPolarHBondContact O-CB 3.19Å; L18-N22 PolarHBondContact O-N 3.24Å; Y19-N22 PolarHBondContact O-N 3.34Å; H20-N22 VanDerWaalsContact C-N 3.28Å; H20-N22 PolarHBondContact O-N 3.29Å; N22-N24 VanDerWaalsContact C-N 3.25Å; N22-N24 PolarHBondContact O-N 2.86Å; N22-Y25 WeakPolarHBondContact O-CB 3.46Å; N22-Y25 PolarHBondContact O-N 2.92Å; N22-Y25 VanDerWaalsContact O-N 3.07Å; N22-Y74 VanDerWaalsContact O-CE1 3.29Å; N22-Y74 WeakPolarHBondContact O-CE1 3.2Å; N22-Y74 PolarHBondContact O-OH 3.4Å; N22-H77 PolarHBondContact ND2-O 2.92Å; N22-P79 WeakPolarHBondContact OD1-CD 3.49Å |
| 23 | F | 89.6 | Confident | 91.8 | Very high | 17 Ų | 17 | 69.5 Ų | 69.5 | 8% | 0.075 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -73.3 | -16.3 | 179.3 | -81.1 | -128.6 | 0 | 0 | 0 | 113 | Y19 H20 P36 Y74 H77 | Y19-F23 AromaticContact CD2-CD2 3.99Å; Y19-F23 HydrophobicContact CD2-CD2 3.99Å; Y19-F23 AromaticContact CD2-CE2 3.83Å; Y19-F23 HydrophobicContact CD2-CE2 3.83Å; Y19-F23 HydrophobicContact CD2-CZ 4.32Å; Y19-F23 HydrophobicContact CE1-CD1 4.33Å; Y19-F23 HydrophobicContact CE1-CG 4.36Å; Y19-F23 AromaticContact CE2-CD1 4Å; Y19-F23 HydrophobicContact CE2-CD1 4Å; Y19-F23 AromaticContact CE2-CD2 3.75Å; Y19-F23 HydrophobicContact CE2-CD2 3.75Å; Y19-F23 AromaticContact CE2-CE1 3.75Å; Y19-F23 HydrophobicContact CE2-CE1 3.75Å; Y19-F23 AromaticContact CE2-CE2 3.41Å; Y19-F23 HydrophobicContact CE2-CE2 3.41Å; Y19-F23 VanDerWaalsContact CE2-CE2 3.41Å; Y19-F23 HydrophobicContact CE2-CG 4.08Å; Y19-F23 AromaticContact CE2-CZ 3.46Å; Y19-F23 HydrophobicContact CE2-CZ 3.46Å; Y19-F23 VanDerWaalsContact CE2-CZ 3.46Å; Y19-F23 AromaticContact CZ-CD1 3.64Å; Y19-F23 AromaticContact CZ-CE1 3.7Å; Y19-F23 AromaticContact CZ-CG 3.93Å; Y19-F23 AromaticContact CZ-CZ 3.93Å; Y19-F23 WeakPolarHBondContact O-CB 3.48Å; Y19-F23 WeakPolarHBondContact O-CD2 3.31Å; Y19-F23 PolarHBondContact O-N 2.97Å; Y19-F23 VanDerWaalsContact OH-CD1 3.25Å; Y19-F23 WeakPolarHBondContact OH-CD1 3.4Å; Y19-F23 WeakPolarHBondContact OH-CE1 3.35Å; H20-F23 PolarHBondContact O-N 3.34Å; F23-P36 HydrophobicContact CB-CG 4.05Å; F23-P36 HydrophobicContact CD1-CB 3.75Å; F23-P36 HydrophobicContact CD1-CG 3.3Å; F23-P36 HydrophobicContact CE1-CB 3.68Å; F23-P36 HydrophobicContact CE1-CG 3.81Å; F23-P36 HydrophobicContact CG-CG 3.87Å; F23-Y74 VanDerWaalsContact C-OH 3.24Å; F23-Y74 PolarHBondContact O-OH 3.31Å; F23-H77 HydrophobicContact CE2-CB 3.93Å; F23-H77 HydrophobicContact CZ-CB 4.22Å |
| 24 | N | 92.3 | Very high | 91.9 | Very high | 44 Ų | 44 | 68.5 Ų | 68.5 | 24% | 0.235 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 12.4 | 169 | -82.7 | -44.5 | 0 | 0 | 0 | 114.1 | H20 N22 W26 R28 | H20-N24 PolarHBondContact CE1-ND2 3.21Å; H20-N24 PolarHBondContact ND1-ND2 2.79Å; H20-N24 PolarHBondContact NE2-ND2 3.37Å; H20-N24 WeakPolarHBondContact O-CB 3.39Å; H20-N24 PolarHBondContact O-N 2.9Å; N22-N24 VanDerWaalsContact C-N 3.25Å; N22-N24 PolarHBondContact O-N 2.86Å; N24-W26 PolarHBondContact O-N 3.42Å; N24-R28 WeakPolarHBondContact O-CG 3.48Å; N24-R28 PolarHBondContact O-N 2.76Å; N24-R28 VanDerWaalsContact O-N 3.14Å |
| 25 | Y | 95.3 | Very high | 91.9 | Very high | 21 Ų | 21 | 68 Ų | 68 | 8% | 0.082 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -50.5 | -177.4 | 175 | -87.3 | 0 | 0 | 0 | 112.7 | R21 N22 R29 Y74 P79 E398 T401 | R21-Y25 PolarHBondContact O-N 2.89Å; N22-Y25 WeakPolarHBondContact O-CB 3.46Å; N22-Y25 PolarHBondContact O-N 2.92Å; N22-Y25 VanDerWaalsContact O-N 3.07Å; Y25-R29 VanDerWaalsContact CZ-CZ 3.4Å; Y25-R29 VanDerWaalsContact CZ-NE 3.26Å; Y25-R29 PolarHBondContact O-NH1 3.04Å; Y25-R29 PolarHBondContact OH-NE 3.44Å; Y25-Y74 WeakPolarHBondContact CB-OH 3.45Å; Y25-Y74 PolarHBondContact N-OH 2.93Å; Y25-P79 HydrophobicContact CD1-CB 3.63Å; Y25-P79 HydrophobicContact CD1-CG 4.17Å; Y25-P79 HydrophobicContact CD2-CG 4.37Å; Y25-P79 HydrophobicContact CE1-CB 4.16Å; Y25-P79 HydrophobicContact CG-CB 3.96Å; Y25-P79 HydrophobicContact CG-CG 4.07Å; Y25-E398 WeakPolarHBondContact CE2-OE2 3.21Å; Y25-E398 VanDerWaalsContact CZ-OE2 3.31Å; Y25-E398 VanDerWaalsContact OH-CD 3.32Å; Y25-E398 PolarHBondContact OH-OE2 3.47Å; Y25-T401 PolarHBondContact OH-OG1 2.69Å |
| 26 | W | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -35.7 | -177.8 | -66.8 | 121.7 | 0 | 0 | 0 | 113 | N24 R28 R29 G30 V31 H33 F70 G72 F73 Y74 P79 A80 A81 T401 | N24-W26 PolarHBondContact O-N 3.42Å; W26-R28 VanDerWaalsContact C-N 3.34Å; W26-R28 PolarHBondContact O-N 2.79Å; W26-R29 CarbonylContact O-C 3.58Å; W26-R29 PolarHBondContact O-N 2.82Å; W26-G30 PolarHBondContact O-N 3.31Å; W26-V31 HydrophobicContact CB-CB 4.45Å; W26-V31 HydrophobicContact CD2-CB 4.48Å; W26-V31 HydrophobicContact CE3-CB 3.69Å; W26-V31 HydrophobicContact CE3-CG1 3.88Å; W26-V31 HydrophobicContact CE3-CG2 3.79Å; W26-V31 HydrophobicContact CZ3-CB 4.37Å; W26-V31 HydrophobicContact CZ3-CG1 4.32Å; W26-V31 HydrophobicContact CZ3-CG2 4.09Å; W26-V31 PolarHBondContact O-N 3.1Å; W26-H33 HydrophobicContact CB-CB 4.15Å; W26-H33 WeakPolarHBondContact CB-ND1 3.3Å; W26-H33 HydrophobicContact CG-CB 4.5Å; W26-F70 HydrophobicContact CE3-CE2 4.47Å; W26-F70 AromaticContact CH2-CE2 3.98Å; W26-F70 HydrophobicContact CH2-CE2 3.98Å; W26-F70 AromaticContact CZ3-CE2 3.62Å; W26-F70 HydrophobicContact CZ3-CE2 3.62Å; W26-F70 HydrophobicContact CZ3-CZ 4.37Å; W26-G72 VanDerWaalsContact CD1-CA 3.44Å; W26-G72 VanDerWaalsContact CD2-CA 3.42Å; W26-G72 VanDerWaalsContact CE2-CA 3.44Å; W26-G72 VanDerWaalsContact CG-CA 3.49Å; W26-F73 PolarHBondContact NE1-O 3.24Å; W26-F73 VanDerWaalsContact NE1-O 3.16Å; W26-Y74 AromaticContact CD1-CE2 3.44Å; W26-Y74 VanDerWaalsContact CD1-CE2 3.44Å; W26-Y74 AromaticContact CD1-CZ 3.65Å; W26-Y74 HydrophobicContact CG-CE2 4.47Å; W26-P79 HydrophobicContact CZ2-CB 4.33Å; W26-A80 WeakPolarHBondContact CZ2-O 3.31Å; W26-A81 HydrophobicContact CH2-CB 4.02Å; W26-A81 HydrophobicContact CZ2-CB 4.44Å; W26-T401 HydrophobicContact CH2-CG2 4.03Å; W26-T401 HydrophobicContact CZ2-CG2 4.15Å |
| 27 | N | 94.7 | Very high | 92.3 | Very high | 103 Ų | 103 | 64.8 Ų | 64.8 | 55% | 0.551 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -58.2 | -45.2 | 175.7 | -170 | 35.2 | 0 | 0 | 0 | 111.9 | R29 G30 H33 | N27-R29 PolarHBondContact O-N 2.94Å; N27-R29 VanDerWaalsContact O-N 3.11Å; N27-G30 PolarHBondContact O-N 2.8Å; N27-G30 VanDerWaalsContact O-N 3.12Å; N27-H33 PolarHBondContact N-CE1 2.84Å |
| 28 | R | 93.6 | Very high | 92 | Very high | 126 Ų | 126 | 62 Ų | 62 | 48% | 0.475 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -63.2 | -17.2 | 176.5 | -71.8 | -166.8 | -56.8 | -90.2 | -4.7 | 114.3 | R21 N24 W26 | R21-R28 VanDerWaalsContact O-CZ 3.22Å; R21-R28 PolarHBondContact O-NH1 3.1Å; R21-R28 PolarHBondContact O-NH2 3.15Å; N24-R28 WeakPolarHBondContact O-CG 3.48Å; N24-R28 PolarHBondContact O-N 2.76Å; N24-R28 VanDerWaalsContact O-N 3.14Å; W26-R28 VanDerWaalsContact C-N 3.34Å; W26-R28 PolarHBondContact O-N 2.79Å |
| 29 | R | 94.2 | Very high | 91.8 | Very high | 74 Ų | 74 | 64 Ų | 64 | 28% | 0.279 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -102.4 | -0.3 | -179.5 | -72.7 | 165.3 | -179.5 | 71.2 | 4.6 | 112.8 | Y25 W26 N27 V31 E398 | Y25-R29 VanDerWaalsContact CZ-CZ 3.4Å; Y25-R29 VanDerWaalsContact CZ-NE 3.26Å; Y25-R29 PolarHBondContact O-NH1 3.04Å; Y25-R29 PolarHBondContact OH-NE 3.44Å; W26-R29 CarbonylContact O-C 3.58Å; W26-R29 PolarHBondContact O-N 2.82Å; N27-R29 PolarHBondContact O-N 2.94Å; N27-R29 VanDerWaalsContact O-N 3.11Å; R29-V31 HydrophobicContact CB-CG2 3.96Å; R29-V31 PolarHBondContact O-N 3.37Å; R29-E398 IonicContact CZ-OE1 3.94Å; R29-E398 IonicContact CZ-OE2 2.64Å; R29-E398 VanDerWaalsContact CZ-OE2 3.25Å; R29-E398 IonicContact NE-OE1 2.73Å; R29-E398 PolarHBondContact NE-OE1 3.44Å; R29-E398 IonicContact NE-OE2 2.76Å; R29-E398 PolarHBondContact NE-OE2 3.41Å; R29-E398 IonicContact NH2-OE1 3.22Å; R29-E398 PolarHBondContact NH2-OE1 2.83Å; R29-E398 IonicContact NH2-OE2 2.67Å; R29-E398 PolarHBondContact NH2-OE2 3.31Å |
| 30 | G | 93.8 | Very high | 91.8 | Very high | 55 Ų | 55 | 62.4 Ų | 62.4 | 57% | 0.567 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 25.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | W26 N27 | W26-G30 PolarHBondContact O-N 3.31Å; N27-G30 PolarHBondContact O-N 2.8Å; N27-G30 VanDerWaalsContact O-N 3.12Å |
| 31 | V | 96.8 | Very high | 92 | Very high | 6 Ų | 6 | 56.8 Ų | 56.8 | 4% | 0.036 | 30% | 0.301 | C | S | . | . | trans | -91.6 | 127.7 | 177.3 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | W26 R29 H33 F70 G72 L395 | W26-V31 HydrophobicContact CB-CB 4.45Å; W26-V31 HydrophobicContact CD2-CB 4.48Å; W26-V31 HydrophobicContact CE3-CB 3.69Å; W26-V31 HydrophobicContact CE3-CG1 3.88Å; W26-V31 HydrophobicContact CE3-CG2 3.79Å; W26-V31 HydrophobicContact CZ3-CB 4.37Å; W26-V31 HydrophobicContact CZ3-CG1 4.32Å; W26-V31 HydrophobicContact CZ3-CG2 4.09Å; W26-V31 PolarHBondContact O-N 3.1Å; R29-V31 HydrophobicContact CB-CG2 3.96Å; R29-V31 PolarHBondContact O-N 3.37Å; V31-H33 PolarHBondContact O-N 2.71Å; V31-H33 PolarHBondContact O-ND1 3.2Å; V31-F70 HydrophobicContact CG1-CD2 4.2Å; V31-F70 HydrophobicContact CG1-CE2 3.8Å; V31-F70 HydrophobicContact CG2-CE2 4.12Å; V31-F70 HydrophobicContact CG2-CZ 4.28Å; V31-G72 VanDerWaalsContact CG1-N 3.32Å; V31-L395 HydrophobicContact CG2-CD2 4.3Å | ||
| 32 | P | 96.7 | Very high | 92.3 | Very high | 34 Ų | 34 | 51.7 Ų | 51.7 | 22% | 0.221 | 28% | 0.283 | C | S | . | . | trans | -57 | 137.2 | 175.5 | -23.1 | 32.6 | 0 | 0 | 0 | 111.4 | Y63 F68 V71 G72 | P32-Y63 HydrophobicContact CB-CD1 4.37Å; P32-Y63 HydrophobicContact CB-CE1 3.99Å; P32-F68 HydrophobicContact CG-CD1 4Å; P32-F68 HydrophobicContact CG-CD2 3.62Å; P32-F68 HydrophobicContact CG-CE1 3.9Å; P32-F68 HydrophobicContact CG-CE2 3.51Å; P32-F68 HydrophobicContact CG-CG 3.87Å; P32-F68 HydrophobicContact CG-CZ 3.65Å; P32-V71 HydrophobicContact CB-CG1 4.15Å; P32-V71 WeakPolarHBondContact O-CB 3.46Å; P32-G72 PolarHBondContact O-N 3.48Å | ||
| 33 | H | 96.1 | Very high | 92.4 | Very high | 41 Ų | 41 | 49.5 Ų | 49.5 | 19% | 0.19 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -164.5 | 160.4 | 178.5 | 61.5 | -69.9 | 0 | 0 | 0 | 110.1 | W26 N27 V31 Y63 G72 | W26-H33 HydrophobicContact CB-CB 4.15Å; W26-H33 WeakPolarHBondContact CB-ND1 3.3Å; W26-H33 HydrophobicContact CG-CB 4.5Å; N27-H33 PolarHBondContact N-CE1 2.84Å; V31-H33 PolarHBondContact O-N 2.71Å; V31-H33 PolarHBondContact O-ND1 3.2Å; H33-Y63 PolarHBondContact O-OH 3.26Å; H33-G72 WeakPolarHBondContact CB-O 3.3Å |
| 34 | D | 95.1 | Very high | 92.5 | Very high | 47 Ų | 47 | 52.4 Ų | 52.4 | 25% | 0.251 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -84.1 | 145.1 | 167.4 | -79.8 | -23.5 | 0 | 0 | 0 | 111.6 | P36 N42 Y59 K62 Y63 | D34-P36 VanDerWaalsContact O-CD 3.24Å; D34-P36 WeakPolarHBondContact O-CD 3.47Å; D34-P36 VanDerWaalsContact O-N 3.13Å; D34-N42 WeakPolarHBondContact CB-ND2 3.49Å; D34-N42 PolarHBondContact O-ND2 3.25Å; D34-N42 VanDerWaalsContact O-ND2 3.15Å; D34-Y59 HydrophobicContact CB-CE2 3.92Å; D34-Y59 PolarHBondContact N-OH 3.32Å; D34-K62 WeakPolarHBondContact OD1-CE 3.44Å; D34-K62 IonicContact OD1-NZ 3.94Å; D34-K62 PolarHBondContact OD1-NZ 2.92Å; D34-K62 IonicContact OD2-NZ 2.64Å; D34-K62 PolarHBondContact OD2-NZ 2.97Å; D34-Y63 PolarHBondContact N-OH 3.33Å; D34-Y63 PolarHBondContact OD1-OH 2.96Å; D34-Y63 VanDerWaalsContact OD1-OH 3.04Å |
| 35 | A | 92.4 | Very high | 92.1 | Very high | 90 Ų | 90 | 50.6 Ų | 50.6 | 74% | 0.744 | 28% | 0.282 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 117.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 36 | P | 92.3 | Very high | 91.7 | Very high | 19 Ų | 19 | 50.7 Ų | 50.7 | 12% | 0.123 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 135.6 | -176.3 | 24.9 | -33.6 | 0 | 0 | 0 | 112.6 | F23 D34 Y74 | F23-P36 HydrophobicContact CB-CG 4.05Å; F23-P36 HydrophobicContact CD1-CB 3.75Å; F23-P36 HydrophobicContact CD1-CG 3.3Å; F23-P36 HydrophobicContact CE1-CB 3.68Å; F23-P36 HydrophobicContact CE1-CG 3.81Å; F23-P36 HydrophobicContact CG-CG 3.87Å; D34-P36 VanDerWaalsContact O-CD 3.24Å; D34-P36 WeakPolarHBondContact O-CD 3.47Å; D34-P36 VanDerWaalsContact O-N 3.13Å; P36-Y74 HydrophobicContact CB-CD1 4.34Å; P36-Y74 HydrophobicContact CB-CD2 3.54Å; P36-Y74 HydrophobicContact CB-CE2 4.15Å; P36-Y74 HydrophobicContact CB-CG 3.64Å; P36-Y74 HydrophobicContact CG-CD1 4.41Å; P36-Y74 HydrophobicContact CG-CD2 3.57Å; P36-Y74 HydrophobicContact CG-CE1 4.49Å; P36-Y74 HydrophobicContact CG-CE2 3.63Å; P36-Y74 HydrophobicContact CG-CG 3.97Å |
| 37 | H | 91.2 | Very high | 91 | Very high | 76 Ų | 76 | 51.9 Ų | 51.9 | 35% | 0.352 | 29% | 0.288 | S | S | . | . | B | Isolated β-bridge | trans | -66.1 | 139.9 | 170 | -179 | -88.2 | 0 | 0 | 0 | 110.8 | L39 Y40 G41 V44 | H37-L39 VanDerWaalsContact C-N 3.29Å; H37-L39 PolarHBondContact ND1-N 3.04Å; H37-L39 PolarHBondContact O-N 2.98Å; H37-Y40 AromaticContact CE1-CD2 3.83Å; H37-Y40 AromaticContact ND1-CD2 3.65Å; H37-Y40 PolarHBondContact ND1-N 3.31Å; H37-Y40 PolarHBondContact O-N 3.27Å; H37-G41 VanDerWaalsContact CB-O 3.24Å; H37-G41 WeakPolarHBondContact CB-O 3.46Å; H37-G41 PolarHBondContact N-O 3.22Å; H37-G41 WeakPolarHBondContact O-CA 3.49Å; H37-G41 PolarHBondContact O-N 3.04Å; H37-V44 HydrophobicContact CB-CG2 3.51Å |
| 38 | P | 84.4 | Confident | 90.6 | Very high | 73 Ų | 73 | 54.3 Ų | 54.3 | 47% | 0.474 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -35 | -171.3 | -30.2 | 35.6 | 0 | 0 | 0 | 117.5 | Y19 | Y19-P38 WeakPolarHBondContact OH-CA 3.35Å; Y19-P38 WeakPolarHBondContact OH-CB 3.35Å |
| 39 | L | 82.3 | Confident | 90.3 | Very high | 128 Ų | 128 | 53.7 Ų | 53.7 | 67% | 0.67 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -27.4 | -179.6 | -65 | 175.6 | 0 | 0 | 0 | 114.1 | H37 | H37-L39 VanDerWaalsContact C-N 3.29Å; H37-L39 PolarHBondContact ND1-N 3.04Å; H37-L39 PolarHBondContact O-N 2.98Å |
| 40 | Y | 87.2 | Confident | 90.2 | Very high | 59 Ų | 59 | 53.6 Ų | 53.6 | 23% | 0.231 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | -5.5 | -166.5 | -73.6 | -71.3 | 0 | 0 | 0 | 112.8 | H37 N42 M43 F46 L76 | H37-Y40 AromaticContact CE1-CD2 3.83Å; H37-Y40 AromaticContact ND1-CD2 3.65Å; H37-Y40 PolarHBondContact ND1-N 3.31Å; H37-Y40 PolarHBondContact O-N 3.27Å; Y40-N42 PolarHBondContact O-N 3.46Å; Y40-M43 WeakPolarHBondContact O-CB 3.43Å; Y40-M43 PolarHBondContact O-N 3.44Å; Y40-F46 HydrophobicContact CD1-CB 4.38Å; Y40-L76 HydrophobicContact CD1-CD2 4.48Å |
| 41 | G | 91.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | 57.7 | -127.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | H37 M43 L76 | H37-G41 VanDerWaalsContact CB-O 3.24Å; H37-G41 WeakPolarHBondContact CB-O 3.46Å; H37-G41 PolarHBondContact N-O 3.22Å; H37-G41 WeakPolarHBondContact O-CA 3.49Å; H37-G41 PolarHBondContact O-N 3.04Å; G41-M43 VanDerWaalsContact C-N 3.32Å; G41-L76 WeakPolarHBondContact CA-O 3.41Å; G41-L76 PolarHBondContact N-O 3.48Å |
| 42 | N | 94 | Very high | 89.9 | Confident | 25 Ų | 25 | 52.2 Ų | 52.2 | 13% | 0.134 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 8.5 | 175.6 | -57.3 | 113.9 | 0 | 0 | 0 | 113.3 | D34 Y40 Y59 F73 Y74 | D34-N42 WeakPolarHBondContact CB-ND2 3.49Å; D34-N42 PolarHBondContact O-ND2 3.25Å; D34-N42 VanDerWaalsContact O-ND2 3.15Å; Y40-N42 PolarHBondContact O-N 3.46Å; N42-Y59 HydrophobicContact CB-CE2 4.12Å; N42-F73 HydrophobicContact CB-CD2 3.79Å; N42-F73 HydrophobicContact CB-CE2 3.57Å; N42-F73 HydrophobicContact CB-CZ 4.13Å; N42-Y74 PolarHBondContact N-O 3.3Å; N42-Y74 WeakPolarHBondContact OD1-CB 3.42Å; N42-Y74 PolarHBondContact OD1-N 3Å |
| 43 | M | 91 | Very high | 89.8 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | trans | -109.2 | 47.2 | -175.7 | -62.3 | 167.7 | 33.4 | 0 | 0 | 112.9 | Y40 G41 G45 F46 F55 F73 F75 | Y40-M43 WeakPolarHBondContact O-CB 3.43Å; Y40-M43 PolarHBondContact O-N 3.44Å; G41-M43 VanDerWaalsContact C-N 3.32Å; M43-G45 PolarHBondContact O-N 3.33Å; M43-G45 VanDerWaalsContact O-N 3.11Å; M43-F46 HydrophobicContact CB-CB 4.03Å; M43-F46 HydrophobicContact CE-CB 3.81Å; M43-F46 HydrophobicContact CE-CD1 3.66Å; M43-F46 HydrophobicContact CE-CD2 3.36Å; M43-F46 HydrophobicContact CE-CE1 3.98Å; M43-F46 HydrophobicContact CE-CE2 3.71Å; M43-F46 HydrophobicContact CE-CG 3.32Å; M43-F46 HydrophobicContact CE-CZ 3.99Å; M43-F46 VanDerWaalsContact O-CB 3.26Å; M43-F46 WeakPolarHBondContact O-CB 3.33Å; M43-F46 PolarHBondContact O-N 2.75Å; M43-F55 VanDerWaalsContact C-CE1 3.4Å; M43-F55 HydrophobicContact CB-CD1 4.37Å; M43-F55 HydrophobicContact CB-CD2 4.37Å; M43-F55 HydrophobicContact CB-CE1 4.4Å; M43-F55 HydrophobicContact CB-CE2 4.41Å; M43-F55 HydrophobicContact CB-CG 4.37Å; M43-F55 HydrophobicContact CB-CZ 4.41Å; M43-F55 HydrophobicContact CG-CG 4.34Å; M43-F73 HydrophobicContact CG-CE1 4.18Å; M43-F73 HydrophobicContact CG-CZ 3.63Å; M43-F73 HydrophobicContact SD-CE1 4.11Å; M43-F73 HydrophobicContact SD-CZ 4.11Å; M43-F75 HydrophobicContact CE-CD2 4.29Å; M43-F75 HydrophobicContact CE-CE1 4.24Å; M43-F75 HydrophobicContact CE-CE2 3.85Å; M43-F75 HydrophobicContact CE-CZ 3.82Å; M43-F75 HydrophobicContact SD-CB 4.42Å; M43-F75 HydrophobicContact SD-CD1 4.26Å; M43-F75 HydrophobicContact SD-CD2 3.34Å; M43-F75 WeakPolarHBondContact SD-CD2 3.36Å; M43-F75 HydrophobicContact SD-CE1 4.35Å; M43-F75 HydrophobicContact SD-CE2 3.47Å; M43-F75 WeakPolarHBondContact SD-CE2 3.3Å; M43-F75 HydrophobicContact SD-CG 3.77Å; M43-F75 HydrophobicContact SD-CZ 3.98Å | ||
| 44 | V | 90.5 | Very high | 89.7 | Confident | 77 Ų | 77 | 52.2 Ų | 52.2 | 47% | 0.467 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 113.1 | -178.4 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | H37 F55 | H37-V44 HydrophobicContact CB-CG2 3.51Å; V44-F55 WeakPolarHBondContact O-CE1 3.47Å; V44-F55 WeakPolarHBondContact O-CZ 3.44Å |
| 45 | G | 85.5 | Confident | 89.7 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 6% | 0.062 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 106.6 | 0.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | M43 R47 K48 N49 R50 | M43-G45 PolarHBondContact O-N 3.33Å; M43-G45 VanDerWaalsContact O-N 3.11Å; G45-R47 PolarHBondContact O-N 3.08Å; G45-K48 WeakPolarHBondContact O-CB 3.42Å; G45-K48 PolarHBondContact O-N 3.43Å; G45-N49 WeakPolarHBondContact CA-OD1 3.49Å; G45-N49 PolarHBondContact O-N 2.89Å; G45-N49 PolarHBondContact O-OD1 3.15Å; G45-R50 PolarHBondContact O-N 2.89Å |
| 46 | F | 86.2 | Confident | 89.9 | Confident | 23 Ų | 23 | 46 Ų | 46 | 10% | 0.101 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -56 | 129.4 | 175.8 | -180 | -116.2 | 0 | 0 | 0 | 111.8 | Y40 M43 K48 M52 F55 L76 | Y40-F46 HydrophobicContact CD1-CB 4.38Å; M43-F46 HydrophobicContact CB-CB 4.03Å; M43-F46 HydrophobicContact CE-CB 3.81Å; M43-F46 HydrophobicContact CE-CD1 3.66Å; M43-F46 HydrophobicContact CE-CD2 3.36Å; M43-F46 HydrophobicContact CE-CE1 3.98Å; M43-F46 HydrophobicContact CE-CE2 3.71Å; M43-F46 HydrophobicContact CE-CG 3.32Å; M43-F46 HydrophobicContact CE-CZ 3.99Å; M43-F46 VanDerWaalsContact O-CB 3.26Å; M43-F46 WeakPolarHBondContact O-CB 3.33Å; M43-F46 PolarHBondContact O-N 2.75Å; F46-K48 PolarHBondContact O-N 2.66Å; F46-M52 HydrophobicContact CD2-CG 4.34Å; F46-M52 HydrophobicContact CE2-CG 3.89Å; F46-M52 HydrophobicContact CE2-SD 4.18Å; F46-F55 HydrophobicContact CB-CE2 4.09Å; F46-F55 HydrophobicContact CB-CZ 4.37Å; F46-F55 HydrophobicContact CD2-CE2 4.45Å; F46-L76 HydrophobicContact CD1-CD2 4.39Å |
| 47 | R | 81.8 | Confident | 90.1 | Very high | 26 Ų | 26 | 48.3 Ų | 48.3 | 10% | 0.098 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 30.5 | -175.3 | -61.1 | -165.9 | -179.2 | -125.5 | 20.6 | 114.2 | G45 K221 P488 M489 I491 | G45-R47 PolarHBondContact O-N 3.08Å; R47-K221 PolarHBondContact O-NZ 3.46Å; R47-P488 VanDerWaalsContact CA-O 3.24Å; R47-P488 WeakPolarHBondContact CA-O 3.36Å; R47-M489 HydrophobicContact CB-SD 3.91Å; R47-M489 PolarHBondContact NH1-O 2.88Å; R47-M489 VanDerWaalsContact O-SD 3.41Å; R47-I491 VanDerWaalsContact NH2-CG1 3.33Å |
| 48 | K | 85.3 | Confident | 90.4 | Very high | 153 Ų | 153 | 48.7 Ų | 48.7 | 67% | 0.665 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -128.2 | -63.6 | 172.7 | -172.1 | 179.1 | 179.1 | -178 | 0 | 111.2 | G45 F46 | G45-K48 WeakPolarHBondContact O-CB 3.42Å; G45-K48 PolarHBondContact O-N 3.43Å; F46-K48 PolarHBondContact O-N 2.66Å |
| 49 | N | 88 | Confident | 91 | Very high | 113 Ų | 113 | 45.8 Ų | 45.8 | 60% | 0.604 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -146.2 | -0.1 | -171.4 | 63.9 | -21.1 | 0 | 0 | 0 | 114.8 | G45 | G45-N49 WeakPolarHBondContact CA-OD1 3.49Å; G45-N49 PolarHBondContact O-N 2.89Å; G45-N49 PolarHBondContact O-OD1 3.15Å |
| 50 | R | 91.3 | Very high | 91.8 | Very high | 72 Ų | 72 | 40 Ų | 40 | 27% | 0.272 | 19% | 0.192 | S | C | . | . | B | Isolated β-bridge | trans | -131.3 | 147 | 178.1 | -67.2 | -176.1 | 65.9 | 177.2 | 3.7 | 111 | G45 D54 F55 D58 P488 | G45-R50 PolarHBondContact O-N 2.89Å; R50-D54 VanDerWaalsContact NH2-C 3.34Å; R50-D54 VanDerWaalsContact NH2-CB 3.34Å; R50-D54 PolarHBondContact NH2-O 3.42Å; R50-F55 HydrophobicContact CB-CE1 4.19Å; R50-F55 HydrophobicContact CB-CE2 3.7Å; R50-F55 HydrophobicContact CB-CZ 3.47Å; R50-F55 VanDerWaalsContact CB-CZ 3.47Å; R50-F55 HydrophobicContact CG-CZ 4.26Å; R50-D58 IonicContact CZ-OD2 3.39Å; R50-D58 IonicContact NH1-OD2 3.18Å; R50-D58 IonicContact NH2-OD2 3.89Å; R50-D58 PolarHBondContact NH2-OD2 3.41Å; R50-P488 WeakPolarHBondContact O-CB 3.45Å |
| 51 | V | 92.6 | Very high | 92.2 | Very high | 16 Ų | 16 | 39.6 Ų | 39.6 | 10% | 0.097 | 19% | 0.194 | C | C | . | . | trans | -91.5 | 163.7 | 174.3 | -66.9 | 0 | 0 | 0 | 0 | 111.1 | H53 D54 F55 S487 | V51-H53 HydrophobicContact CG2-CB 3.85Å; V51-H53 PolarHBondContact O-N 3.21Å; V51-D54 WeakPolarHBondContact CG2-OD1 3.48Å; V51-D54 WeakPolarHBondContact CG2-OD2 3.28Å; V51-D54 PolarHBondContact N-OD2 3.06Å; V51-D54 PolarHBondContact O-N 3Å; V51-F55 WeakPolarHBondContact O-CD2 3.38Å; V51-S487 WeakPolarHBondContact CG1-O 3.44Å | ||
| 52 | M | 92.6 | Very high | 92.5 | Very high | 16 Ų | 16 | 45.2 Ų | 45.2 | 8% | 0.079 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59 | -32.5 | 177.1 | -78.7 | -165.8 | -69.2 | 0 | 0 | 113.1 | F46 D54 F55 F56 P377 I491 | F46-M52 HydrophobicContact CD2-CG 4.34Å; F46-M52 HydrophobicContact CE2-CG 3.89Å; F46-M52 HydrophobicContact CE2-SD 4.18Å; M52-D54 PolarHBondContact O-N 3.44Å; M52-F55 PolarHBondContact O-N 2.82Å; M52-F56 HydrophobicContact CB-CD2 4.27Å; M52-F56 HydrophobicContact CB-CE2 3.83Å; M52-F56 HydrophobicContact CG-CE2 4.29Å; M52-F56 WeakPolarHBondContact O-CD2 3.48Å; M52-F56 WeakPolarHBondContact O-CG 3.49Å; M52-F56 PolarHBondContact O-N 2.87Å; M52-F56 VanDerWaalsContact O-N 3.14Å; M52-F56 HydrophobicContact SD-CE2 4.28Å; M52-P377 HydrophobicContact CB-CB 4.42Å; M52-P377 HydrophobicContact CB-CG 3.6Å; M52-P377 HydrophobicContact CE-CG 4.1Å; M52-I491 HydrophobicContact CE-CG2 3.99Å; M52-I491 WeakPolarHBondContact CE-O 3.28Å |
| 53 | H | 94.6 | Very high | 92.7 | Very high | 16 Ų | 16 | 45.1 Ų | 45.1 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -54.2 | -50.6 | 174.9 | -124.1 | -87.7 | 0 | 0 | 0 | 111.5 | V51 F55 F56 Y57 T374 C408 L493 | V51-H53 HydrophobicContact CG2-CB 3.85Å; V51-H53 PolarHBondContact O-N 3.21Å; H53-F55 VanDerWaalsContact C-N 3.33Å; H53-F55 PolarHBondContact O-N 2.83Å; H53-F56 PolarHBondContact O-N 3.06Å; H53-Y57 WeakPolarHBondContact O-CB 3.38Å; H53-Y57 PolarHBondContact O-N 2.87Å; H53-T374 PolarHBondContact NE2-O 3.48Å; H53-C408 WeakPolarHBondContact CE1-CB 3.34Å; H53-C408 WeakPolarHBondContact ND1-CB 2.88Å; H53-C408 VanDerWaalsContact NE2-CB 3.26Å; H53-C408 WeakPolarHBondContact NE2-CB 3.04Å; H53-L493 HydrophobicContact CB-CD1 4.47Å |
| 54 | D | 94.6 | Very high | 92.9 | Very high | 60 Ų | 60 | 46.9 Ų | 46.9 | 32% | 0.321 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.2 | -43.5 | -178 | -45 | -29 | 0 | 0 | 0 | 111.4 | R50 V51 M52 D58 | R50-D54 VanDerWaalsContact NH2-C 3.34Å; R50-D54 VanDerWaalsContact NH2-CB 3.34Å; R50-D54 PolarHBondContact NH2-O 3.42Å; V51-D54 WeakPolarHBondContact CG2-OD1 3.48Å; V51-D54 WeakPolarHBondContact CG2-OD2 3.28Å; V51-D54 PolarHBondContact N-OD2 3.06Å; V51-D54 PolarHBondContact O-N 3Å; M52-D54 PolarHBondContact O-N 3.44Å; D54-D58 WeakPolarHBondContact O-CB 3.3Å; D54-D58 PolarHBondContact O-N 2.91Å |
| 55 | F | 95.1 | Very high | 93.1 | Very high | 7 Ų | 7 | 50.4 Ų | 50.4 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.6 | -48 | -178.6 | -67.3 | -60.4 | 0 | 0 | 0 | 111.9 | M43 V44 F46 R50 V51 M52 H53 Y59 | M43-F55 VanDerWaalsContact C-CE1 3.4Å; M43-F55 HydrophobicContact CB-CD1 4.37Å; M43-F55 HydrophobicContact CB-CD2 4.37Å; M43-F55 HydrophobicContact CB-CE1 4.4Å; M43-F55 HydrophobicContact CB-CE2 4.41Å; M43-F55 HydrophobicContact CB-CG 4.37Å; M43-F55 HydrophobicContact CB-CZ 4.41Å; M43-F55 HydrophobicContact CG-CG 4.34Å; V44-F55 WeakPolarHBondContact O-CE1 3.47Å; V44-F55 WeakPolarHBondContact O-CZ 3.44Å; F46-F55 HydrophobicContact CB-CE2 4.09Å; F46-F55 HydrophobicContact CB-CZ 4.37Å; F46-F55 HydrophobicContact CD2-CE2 4.45Å; R50-F55 HydrophobicContact CB-CE1 4.19Å; R50-F55 HydrophobicContact CB-CE2 3.7Å; R50-F55 HydrophobicContact CB-CZ 3.47Å; R50-F55 VanDerWaalsContact CB-CZ 3.47Å; R50-F55 HydrophobicContact CG-CZ 4.26Å; V51-F55 WeakPolarHBondContact O-CD2 3.38Å; M52-F55 PolarHBondContact O-N 2.82Å; H53-F55 VanDerWaalsContact C-N 3.33Å; H53-F55 PolarHBondContact O-N 2.83Å; F55-Y59 WeakPolarHBondContact O-CB 3.4Å; F55-Y59 PolarHBondContact O-N 2.98Å; F55-Y59 VanDerWaalsContact O-N 3.15Å |
| 56 | F | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -75.1 | -36.1 | -176.3 | -59.5 | -39.3 | 0 | 0 | 0 | 112.1 | M52 H53 Y60 F73 F75 F82 P377 H378 I404 P406 | M52-F56 HydrophobicContact CB-CD2 4.27Å; M52-F56 HydrophobicContact CB-CE2 3.83Å; M52-F56 HydrophobicContact CG-CE2 4.29Å; M52-F56 WeakPolarHBondContact O-CD2 3.48Å; M52-F56 WeakPolarHBondContact O-CG 3.49Å; M52-F56 PolarHBondContact O-N 2.87Å; M52-F56 VanDerWaalsContact O-N 3.14Å; M52-F56 HydrophobicContact SD-CE2 4.28Å; H53-F56 PolarHBondContact O-N 3.06Å; F56-Y60 WeakPolarHBondContact O-CB 3.2Å; F56-Y60 PolarHBondContact O-N 3.46Å; F56-F73 HydrophobicContact CD1-CZ 4.34Å; F56-F73 HydrophobicContact CE1-CE1 4.24Å; F56-F73 AromaticContact CE1-CZ 3.92Å; F56-F73 HydrophobicContact CE1-CZ 3.92Å; F56-F75 HydrophobicContact CZ-CE2 4.47Å; F56-F82 HydrophobicContact CB-CE2 4.2Å; F56-F82 HydrophobicContact CB-CZ 4.29Å; F56-F82 HydrophobicContact CD1-CD2 4.46Å; F56-F82 AromaticContact CD1-CE2 3.63Å; F56-F82 HydrophobicContact CD1-CE2 3.63Å; F56-F82 HydrophobicContact CD1-CZ 4.49Å; F56-F82 HydrophobicContact CE1-CE2 4.4Å; F56-F82 HydrophobicContact CG-CE2 4.23Å; F56-P377 HydrophobicContact CD2-CB 4.22Å; F56-P377 HydrophobicContact CD2-CG 4.48Å; F56-P377 HydrophobicContact CE2-CG 4.35Å; F56-H378 HydrophobicContact CD2-CB 3.88Å; F56-H378 HydrophobicContact CE2-CB 3.62Å; F56-H378 AromaticContact CE2-CE1 3.83Å; F56-H378 AromaticContact CE2-CG 3.35Å; F56-H378 AromaticContact CE2-ND1 3.18Å; F56-H378 WeakPolarHBondContact CE2-ND1 3.49Å; F56-H378 HydrophobicContact CZ-CB 4.13Å; F56-H378 AromaticContact CZ-CD2 3.92Å; F56-H378 AromaticContact CZ-CE1 3.96Å; F56-H378 AromaticContact CZ-CG 3.64Å; F56-H378 AromaticContact CZ-ND1 3.7Å; F56-I404 HydrophobicContact CD1-CG2 4.46Å; F56-I404 HydrophobicContact CE1-CG2 4.11Å; F56-I404 HydrophobicContact CZ-CG2 4.45Å; F56-P406 HydrophobicContact CB-CB 4.01Å |
| 57 | Y | 96.4 | Very high | 93.9 | Very high | 67 Ų | 67 | 54.2 Ų | 54.2 | 26% | 0.263 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.8 | -51 | 176.1 | -176.9 | -106.1 | 0 | 0 | 0 | 111.9 | H53 Y59 Y60 N61 A409 R412 | H53-Y57 WeakPolarHBondContact O-CB 3.38Å; H53-Y57 PolarHBondContact O-N 2.87Å; Y57-Y59 PolarHBondContact O-N 3.34Å; Y57-Y60 PolarHBondContact O-N 3.37Å; Y57-N61 WeakPolarHBondContact CE1-ND2 3.41Å; Y57-N61 VanDerWaalsContact CE2-ND2 3.25Å; Y57-N61 WeakPolarHBondContact CE2-ND2 3.46Å; Y57-N61 WeakPolarHBondContact O-CB 3.24Å; Y57-N61 PolarHBondContact O-N 3.19Å; Y57-N61 PolarHBondContact O-ND2 2.94Å; Y57-N61 PolarHBondContact OH-ND2 3.42Å; Y57-A409 HydrophobicContact CD2-CB 4.47Å; Y57-R412 HydrophobicContact CD2-CB 4Å; Y57-R412 HydrophobicContact CE2-CB 3.51Å |
| 58 | D | 96.6 | Very high | 94.6 | Very high | 84 Ų | 84 | 56.4 Ų | 56.4 | 45% | 0.449 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 179.4 | -69.2 | -6.4 | 0 | 0 | 0 | 111.6 | R50 D54 N61 K62 | R50-D58 IonicContact CZ-OD2 3.39Å; R50-D58 IonicContact NH1-OD2 3.18Å; R50-D58 IonicContact NH2-OD2 3.89Å; R50-D58 PolarHBondContact NH2-OD2 3.41Å; D54-D58 WeakPolarHBondContact O-CB 3.3Å; D54-D58 PolarHBondContact O-N 2.91Å; D58-N61 PolarHBondContact O-N 3.22Å; D58-K62 WeakPolarHBondContact O-CB 3.27Å; D58-K62 PolarHBondContact O-N 3.3Å; D58-K62 VanDerWaalsContact O-N 3.1Å |
| 59 | Y | 97.4 | Very high | 95.1 | Very high | 12 Ų | 12 | 49.3 Ų | 49.3 | 5% | 0.047 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.4 | -42.5 | -179.8 | -151.6 | -98.8 | 0 | 0 | 0 | 111.3 | D34 N42 F55 Y57 K62 Y63 V71 G72 F73 F82 | D34-Y59 HydrophobicContact CB-CE2 3.92Å; D34-Y59 PolarHBondContact N-OH 3.32Å; N42-Y59 HydrophobicContact CB-CE2 4.12Å; F55-Y59 WeakPolarHBondContact O-CB 3.4Å; F55-Y59 PolarHBondContact O-N 2.98Å; F55-Y59 VanDerWaalsContact O-N 3.15Å; Y57-Y59 PolarHBondContact O-N 3.34Å; Y59-K62 PolarHBondContact O-N 2.96Å; Y59-Y63 AromaticContact CD1-CD2 3.93Å; Y59-Y63 HydrophobicContact CD1-CD2 3.93Å; Y59-Y63 HydrophobicContact CD1-CE2 4.19Å; Y59-Y63 HydrophobicContact CD2-CE2 4.34Å; Y59-Y63 AromaticContact CE1-CD2 3.8Å; Y59-Y63 HydrophobicContact CE1-CD2 3.8Å; Y59-Y63 AromaticContact CE1-CE2 3.74Å; Y59-Y63 HydrophobicContact CE1-CE2 3.74Å; Y59-Y63 AromaticContact CE2-CE2 3.9Å; Y59-Y63 HydrophobicContact CE2-CE2 3.9Å; Y59-Y63 HydrophobicContact CG-CD2 4.38Å; Y59-Y63 HydrophobicContact CG-CE2 4.48Å; Y59-Y63 AromaticContact CZ-CE2 3.57Å; Y59-Y63 VanDerWaalsContact O-CD2 3.31Å; Y59-Y63 WeakPolarHBondContact O-CD2 3.47Å; Y59-Y63 PolarHBondContact O-N 3.37Å; Y59-V71 HydrophobicContact CD1-CG2 4.2Å; Y59-V71 HydrophobicContact CE1-CG2 3.7Å; Y59-G72 PolarHBondContact OH-O 3.49Å; Y59-F73 AromaticContact CD1-CD2 3.78Å; Y59-F73 HydrophobicContact CD1-CD2 3.78Å; Y59-F73 HydrophobicContact CD1-CE2 4.41Å; Y59-F73 HydrophobicContact CD2-CD2 4.16Å; Y59-F73 HydrophobicContact CD2-CE2 4.3Å; Y59-F73 HydrophobicContact CE1-CB 4.22Å; Y59-F73 AromaticContact CE1-CD2 3.72Å; Y59-F73 HydrophobicContact CE1-CD2 3.72Å; Y59-F73 HydrophobicContact CE1-CG 4.48Å; Y59-F73 HydrophobicContact CE2-CD2 4.12Å; Y59-F73 HydrophobicContact CG-CD2 4Å; Y59-F73 HydrophobicContact CG-CE2 4.21Å; Y59-F73 AromaticContact CZ-CD2 3.9Å; Y59-F82 AromaticContact CD1-CD1 3.91Å; Y59-F82 HydrophobicContact CD1-CD1 3.91Å; Y59-F82 HydrophobicContact CD1-CD2 4.4Å; Y59-F82 HydrophobicContact CD1-CE1 4.09Å; Y59-F82 HydrophobicContact CD1-CG 4.06Å; Y59-F82 HydrophobicContact CD1-CZ 4.41Å; Y59-F82 HydrophobicContact CE1-CG 4.47Å |
| 60 | Y | 97.9 | Very high | 95.6 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 3% | 0.027 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.1 | -52.1 | 175.7 | 179 | -104.4 | 0 | 0 | 0 | 111.8 | F56 Y57 K62 Y63 R64 F82 V84 P406 A409 Y410 D413 | F56-Y60 WeakPolarHBondContact O-CB 3.2Å; F56-Y60 PolarHBondContact O-N 3.46Å; Y57-Y60 PolarHBondContact O-N 3.37Å; Y60-K62 PolarHBondContact O-N 3.45Å; Y60-Y63 CarbonylContact O-C 3.53Å; Y60-Y63 PolarHBondContact O-N 3.45Å; Y60-R64 HydrophobicContact CD1-CB 4.25Å; Y60-R64 HydrophobicContact CD2-CB 4.37Å; Y60-R64 HydrophobicContact CE1-CB 3.89Å; Y60-R64 VanDerWaalsContact CE1-CD 3.42Å; Y60-R64 HydrophobicContact CE1-CG 4.23Å; Y60-R64 HydrophobicContact CE2-CB 3.97Å; Y60-R64 HydrophobicContact CG-CB 4.49Å; Y60-R64 WeakPolarHBondContact O-CB 3.28Å; Y60-R64 PolarHBondContact O-N 2.85Å; Y60-F82 HydrophobicContact CD2-CE1 4.29Å; Y60-V84 HydrophobicContact CD2-CG1 4.36Å; Y60-V84 HydrophobicContact CE2-CG1 4.02Å; Y60-V84 WeakPolarHBondContact CE2-O 3.42Å; Y60-P406 HydrophobicContact CD2-CG 3.98Å; Y60-A409 VanDerWaalsContact CB-CB 3.47Å; Y60-A409 HydrophobicContact CD1-CB 3.59Å; Y60-A409 HydrophobicContact CD2-CB 4.31Å; Y60-A409 HydrophobicContact CE1-CB 4.4Å; Y60-A409 HydrophobicContact CG-CB 3.52Å; Y60-Y410 HydrophobicContact CD2-CD1 4.33Å; Y60-Y410 HydrophobicContact CD2-CE1 4.08Å; Y60-Y410 AromaticContact CE2-CD1 3.74Å; Y60-Y410 HydrophobicContact CE2-CD1 3.74Å; Y60-Y410 AromaticContact CE2-CE1 3.49Å; Y60-Y410 HydrophobicContact CE2-CE1 3.49Å; Y60-Y410 VanDerWaalsContact CE2-CE1 3.49Å; Y60-Y410 AromaticContact CZ-CD1 3.85Å; Y60-D413 HydrophobicContact CE1-CB 4.04Å; Y60-D413 PolarHBondContact OH-OD2 3.32Å |
| 61 | N | 97.1 | Very high | 96 | Very high | 50 Ų | 50 | 40.5 Ų | 40.5 | 27% | 0.267 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.3 | -33.2 | -178.1 | -80.4 | -32.6 | 0 | 0 | 0 | 113.2 | Y57 D58 Y63 R64 | Y57-N61 WeakPolarHBondContact CE1-ND2 3.41Å; Y57-N61 VanDerWaalsContact CE2-ND2 3.25Å; Y57-N61 WeakPolarHBondContact CE2-ND2 3.46Å; Y57-N61 WeakPolarHBondContact O-CB 3.24Å; Y57-N61 PolarHBondContact O-N 3.19Å; Y57-N61 PolarHBondContact O-ND2 2.94Å; Y57-N61 PolarHBondContact OH-ND2 3.42Å; D58-N61 PolarHBondContact O-N 3.22Å; N61-Y63 VanDerWaalsContact C-N 3.32Å; N61-Y63 PolarHBondContact O-N 3.09Å; N61-R64 PolarHBondContact OD1-NH1 2.77Å; N61-R64 VanDerWaalsContact OD1-NH1 3.14Å |
| 62 | K | 97.3 | Very high | 96.2 | Very high | 118 Ų | 118 | 39.7 Ų | 39.7 | 51% | 0.513 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64 | -35.9 | 174.3 | -179.2 | 172.7 | 175.2 | 174.1 | 0 | 113.1 | D34 D58 Y59 Y60 | D34-K62 WeakPolarHBondContact OD1-CE 3.44Å; D34-K62 IonicContact OD1-NZ 3.94Å; D34-K62 PolarHBondContact OD1-NZ 2.92Å; D34-K62 IonicContact OD2-NZ 2.64Å; D34-K62 PolarHBondContact OD2-NZ 2.97Å; D58-K62 WeakPolarHBondContact O-CB 3.27Å; D58-K62 PolarHBondContact O-N 3.3Å; D58-K62 VanDerWaalsContact O-N 3.1Å; Y59-K62 PolarHBondContact O-N 2.96Å; Y60-K62 PolarHBondContact O-N 3.45Å |
| 63 | Y | 97.6 | Very high | 96.4 | Very high | 23 Ų | 23 | 39 Ų | 39 | 9% | 0.09 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -111 | -9.7 | -171.3 | -70.5 | -70.4 | 0 | 0 | 0 | 115 | P32 H33 D34 Y59 Y60 N61 K65 S66 V71 | P32-Y63 HydrophobicContact CB-CD1 4.37Å; P32-Y63 HydrophobicContact CB-CE1 3.99Å; H33-Y63 PolarHBondContact O-OH 3.26Å; D34-Y63 PolarHBondContact N-OH 3.33Å; D34-Y63 PolarHBondContact OD1-OH 2.96Å; D34-Y63 VanDerWaalsContact OD1-OH 3.04Å; Y59-Y63 AromaticContact CD1-CD2 3.93Å; Y59-Y63 HydrophobicContact CD1-CD2 3.93Å; Y59-Y63 HydrophobicContact CD1-CE2 4.19Å; Y59-Y63 HydrophobicContact CD2-CE2 4.34Å; Y59-Y63 AromaticContact CE1-CD2 3.8Å; Y59-Y63 HydrophobicContact CE1-CD2 3.8Å; Y59-Y63 AromaticContact CE1-CE2 3.74Å; Y59-Y63 HydrophobicContact CE1-CE2 3.74Å; Y59-Y63 AromaticContact CE2-CE2 3.9Å; Y59-Y63 HydrophobicContact CE2-CE2 3.9Å; Y59-Y63 HydrophobicContact CG-CD2 4.38Å; Y59-Y63 HydrophobicContact CG-CE2 4.48Å; Y59-Y63 AromaticContact CZ-CE2 3.57Å; Y59-Y63 VanDerWaalsContact O-CD2 3.31Å; Y59-Y63 WeakPolarHBondContact O-CD2 3.47Å; Y59-Y63 PolarHBondContact O-N 3.37Å; Y60-Y63 CarbonylContact O-C 3.53Å; Y60-Y63 PolarHBondContact O-N 3.45Å; N61-Y63 VanDerWaalsContact C-N 3.32Å; N61-Y63 PolarHBondContact O-N 3.09Å; Y63-K65 PolarHBondContact O-N 2.91Å; Y63-K65 VanDerWaalsContact O-N 3.11Å; Y63-S66 WeakPolarHBondContact O-CB 3.36Å; Y63-S66 PolarHBondContact O-N 3.43Å; Y63-S66 PolarHBondContact O-OG 3.2Å; Y63-V71 HydrophobicContact CD1-CB 4.45Å; Y63-V71 HydrophobicContact CD1-CG1 3.78Å; Y63-V71 HydrophobicContact CD2-CG2 3.94Å; Y63-V71 HydrophobicContact CE1-CG1 4.48Å; Y63-V71 HydrophobicContact CG-CB 4.24Å; Y63-V71 HydrophobicContact CG-CG1 3.8Å; Y63-V71 HydrophobicContact CG-CG2 3.96Å |
| 64 | R | 95.5 | Very high | 96.4 | Very high | 39 Ų | 39 | 38.2 Ų | 38.2 | 15% | 0.147 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27.5 | -175.7 | 71.6 | 173.7 | -128.2 | -123.1 | -5.6 | 115.3 | Y60 N61 V84 D413 E414 D415 | Y60-R64 HydrophobicContact CD1-CB 4.25Å; Y60-R64 HydrophobicContact CD2-CB 4.37Å; Y60-R64 HydrophobicContact CE1-CB 3.89Å; Y60-R64 VanDerWaalsContact CE1-CD 3.42Å; Y60-R64 HydrophobicContact CE1-CG 4.23Å; Y60-R64 HydrophobicContact CE2-CB 3.97Å; Y60-R64 HydrophobicContact CG-CB 4.49Å; Y60-R64 WeakPolarHBondContact O-CB 3.28Å; Y60-R64 PolarHBondContact O-N 2.85Å; N61-R64 PolarHBondContact OD1-NH1 2.77Å; N61-R64 VanDerWaalsContact OD1-NH1 3.14Å; R64-V84 HydrophobicContact CB-CG1 4Å; R64-D413 IonicContact CZ-OD1 3.79Å; R64-D413 IonicContact NE-OD1 3.64Å; R64-D413 PolarHBondContact NE-OD1 3.34Å; R64-D413 IonicContact NE-OD2 2.66Å; R64-D413 IonicContact NH1-OD1 2.71Å; R64-D413 PolarHBondContact NH1-OD1 2.9Å; R64-D413 IonicContact NH2-OD1 3.84Å; R64-D413 PolarHBondContact NH2-OD1 2.79Å; R64-E414 IonicContact CZ-OE1 3.48Å; R64-E414 IonicContact NH1-OE1 2.64Å; R64-E414 IonicContact NH2-OE1 3.22Å; R64-E414 PolarHBondContact NH2-OE1 2.58Å; R64-D415 IonicContact CZ-OD2 2.64Å; R64-D415 IonicContact NE-OD2 3.12Å; R64-D415 PolarHBondContact NE-OD2 3.06Å; R64-D415 VanDerWaalsContact NH2-CG 3.34Å; R64-D415 IonicContact NH2-OD1 3.51Å; R64-D415 IonicContact NH2-OD2 2.62Å; R64-D415 PolarHBondContact NH2-OD2 2.7Å |
| 65 | K | 94.6 | Very high | 96.2 | Very high | 151 Ų | 151 | 37 Ų | 37 | 66% | 0.657 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 15.3 | 175.7 | -62.1 | 179.9 | -178.4 | 174.2 | 0 | 113.4 | Y63 G67 E414 | Y63-K65 PolarHBondContact O-N 2.91Å; Y63-K65 VanDerWaalsContact O-N 3.11Å; K65-G67 VanDerWaalsContact C-N 3.33Å; K65-G67 PolarHBondContact O-N 3.46Å; K65-E414 IonicContact NZ-OE1 2.71Å |
| 66 | S | 94.4 | Very high | 95.7 | Very high | 43 Ų | 43 | 37 Ų | 37 | 30% | 0.301 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -76.3 | -15.7 | -177.8 | 67.1 | 0 | 0 | 0 | 0 | 114.5 | Y63 F68 | Y63-S66 WeakPolarHBondContact O-CB 3.36Å; Y63-S66 PolarHBondContact O-N 3.43Å; Y63-S66 PolarHBondContact O-OG 3.2Å; S66-F68 WeakPolarHBondContact O-CD2 3.45Å; S66-F68 PolarHBondContact O-N 2.93Å; S66-F68 PolarHBondContact OG-N 2.87Å |
| 67 | G | 93.6 | Very high | 95.1 | Very high | 66 Ų | 66 | 38.7 Ų | 38.7 | 68% | 0.68 | 20% | 0.197 | S | C | * | . | S | Bend | trans | 78 | 2.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | K65 | K65-G67 VanDerWaalsContact C-N 3.33Å; K65-G67 PolarHBondContact O-N 3.46Å |
| 68 | F | 96.8 | Very high | 94.7 | Very high | 72 Ų | 72 | 38 Ų | 38 | 32% | 0.316 | 20% | 0.195 | S | C | . | . | trans | -96 | 137.1 | 173.6 | -71.7 | -102.1 | 0 | 0 | 0 | 110.8 | P32 S66 F70 V71 L395 | P32-F68 HydrophobicContact CG-CD1 4Å; P32-F68 HydrophobicContact CG-CD2 3.62Å; P32-F68 HydrophobicContact CG-CE1 3.9Å; P32-F68 HydrophobicContact CG-CE2 3.51Å; P32-F68 HydrophobicContact CG-CG 3.87Å; P32-F68 HydrophobicContact CG-CZ 3.65Å; S66-F68 WeakPolarHBondContact O-CD2 3.45Å; S66-F68 PolarHBondContact O-N 2.93Å; S66-F68 PolarHBondContact OG-N 2.87Å; F68-F70 VanDerWaalsContact C-N 3.27Å; F68-F70 WeakPolarHBondContact CB-O 3.35Å; F68-F70 PolarHBondContact O-N 3.43Å; F68-V71 HydrophobicContact CB-CG1 4.37Å; F68-L395 HydrophobicContact CD1-CD1 3.91Å; F68-L395 HydrophobicContact CD1-CD2 4.26Å; F68-L395 HydrophobicContact CE1-CD2 4.29Å | ||
| 69 | P | 97.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.019 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -71.6 | -24.4 | 179.1 | 30.9 | -37.3 | 0 | 0 | 0 | 112.5 | V84 D85 L88 V389 L395 | P69-V84 PolarHBondContact O-N 2.7Å; P69-D85 HydrophobicContact CB-CB 3.99Å; P69-D85 PolarHBondContact O-N 3.23Å; P69-L88 HydrophobicContact CB-CB 4.35Å; P69-L88 HydrophobicContact CB-CD2 3.85Å; P69-L88 HydrophobicContact CG-CD2 4.43Å; P69-V389 HydrophobicContact CB-CG1 4.18Å; P69-V389 HydrophobicContact CG-CG1 3.74Å; P69-L395 HydrophobicContact CG-CD1 3.76Å |
| 70 | F | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 157.9 | 169.1 | 76.1 | -92.2 | 0 | 0 | 0 | 110.5 | W26 V31 F68 A81 F82 I83 L88 V389 L395 I397 | W26-F70 HydrophobicContact CE3-CE2 4.47Å; W26-F70 AromaticContact CH2-CE2 3.98Å; W26-F70 HydrophobicContact CH2-CE2 3.98Å; W26-F70 AromaticContact CZ3-CE2 3.62Å; W26-F70 HydrophobicContact CZ3-CE2 3.62Å; W26-F70 HydrophobicContact CZ3-CZ 4.37Å; V31-F70 HydrophobicContact CG1-CD2 4.2Å; V31-F70 HydrophobicContact CG1-CE2 3.8Å; V31-F70 HydrophobicContact CG2-CE2 4.12Å; V31-F70 HydrophobicContact CG2-CZ 4.28Å; F68-F70 VanDerWaalsContact C-N 3.27Å; F68-F70 WeakPolarHBondContact CB-O 3.35Å; F68-F70 PolarHBondContact O-N 3.43Å; F70-A81 HydrophobicContact CD2-CB 3.83Å; F70-A81 HydrophobicContact CE2-CB 4.21Å; F70-A81 HydrophobicContact CG-CB 4.35Å; F70-F82 CarbonylContact C-O 3.06Å; F70-F82 VanDerWaalsContact CA-O 3.25Å; F70-F82 WeakPolarHBondContact CA-O 3.32Å; F70-F82 WeakPolarHBondContact CB-O 3.37Å; F70-I83 HydrophobicContact CB-CD1 3.72Å; F70-L88 HydrophobicContact CB-CD2 4.12Å; F70-L88 HydrophobicContact CD1-CD2 4.01Å; F70-V389 HydrophobicContact CD1-CG2 3.92Å; F70-V389 HydrophobicContact CE1-CG2 3.64Å; F70-L395 HydrophobicContact CE1-CB 3.89Å; F70-L395 HydrophobicContact CZ-CB 4.36Å; F70-I397 HydrophobicContact CD1-CD1 4.35Å; F70-I397 HydrophobicContact CD1-CG1 4.2Å; F70-I397 HydrophobicContact CE1-CD1 4.44Å; F70-I397 HydrophobicContact CE1-CG1 3.82Å; F70-I397 HydrophobicContact CZ-CG1 4.06Å |
| 71 | V | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 160.9 | 173.7 | -66.9 | 0 | 0 | 0 | 0 | 110.6 | P32 Y59 Y63 F68 F82 V84 | P32-V71 HydrophobicContact CB-CG1 4.15Å; P32-V71 WeakPolarHBondContact O-CB 3.46Å; Y59-V71 HydrophobicContact CD1-CG2 4.2Å; Y59-V71 HydrophobicContact CE1-CG2 3.7Å; Y63-V71 HydrophobicContact CD1-CB 4.45Å; Y63-V71 HydrophobicContact CD1-CG1 3.78Å; Y63-V71 HydrophobicContact CD2-CG2 3.94Å; Y63-V71 HydrophobicContact CE1-CG1 4.48Å; Y63-V71 HydrophobicContact CG-CB 4.24Å; Y63-V71 HydrophobicContact CG-CG1 3.8Å; Y63-V71 HydrophobicContact CG-CG2 3.96Å; F68-V71 HydrophobicContact CB-CG1 4.37Å; V71-F82 HydrophobicContact CG2-CB 4.13Å; V71-F82 HydrophobicContact CG2-CD1 4Å; V71-F82 HydrophobicContact CG2-CG 4.49Å; V71-F82 PolarHBondContact N-O 2.92Å; V71-F82 PolarHBondContact O-N 2.88Å; V71-V84 HydrophobicContact CG1-CG2 4.35Å; V71-V84 HydrophobicContact CG2-CG2 3.81Å |
| 72 | G | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 137 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | W26 V31 P32 H33 Y59 | W26-G72 VanDerWaalsContact CD1-CA 3.44Å; W26-G72 VanDerWaalsContact CD2-CA 3.42Å; W26-G72 VanDerWaalsContact CE2-CA 3.44Å; W26-G72 VanDerWaalsContact CG-CA 3.49Å; V31-G72 VanDerWaalsContact CG1-N 3.32Å; P32-G72 PolarHBondContact O-N 3.48Å; H33-G72 WeakPolarHBondContact CB-O 3.3Å; Y59-G72 PolarHBondContact OH-O 3.49Å |
| 73 | F | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 155.7 | 174.4 | -177 | -93 | 0 | 0 | 0 | 109.6 | W26 N42 M43 F56 Y59 F75 P79 A80 F82 I404 | W26-F73 PolarHBondContact NE1-O 3.24Å; W26-F73 VanDerWaalsContact NE1-O 3.16Å; N42-F73 HydrophobicContact CB-CD2 3.79Å; N42-F73 HydrophobicContact CB-CE2 3.57Å; N42-F73 HydrophobicContact CB-CZ 4.13Å; M43-F73 HydrophobicContact CG-CE1 4.18Å; M43-F73 HydrophobicContact CG-CZ 3.63Å; M43-F73 HydrophobicContact SD-CE1 4.11Å; M43-F73 HydrophobicContact SD-CZ 4.11Å; F56-F73 HydrophobicContact CD1-CZ 4.34Å; F56-F73 HydrophobicContact CE1-CE1 4.24Å; F56-F73 AromaticContact CE1-CZ 3.92Å; F56-F73 HydrophobicContact CE1-CZ 3.92Å; Y59-F73 AromaticContact CD1-CD2 3.78Å; Y59-F73 HydrophobicContact CD1-CD2 3.78Å; Y59-F73 HydrophobicContact CD1-CE2 4.41Å; Y59-F73 HydrophobicContact CD2-CD2 4.16Å; Y59-F73 HydrophobicContact CD2-CE2 4.3Å; Y59-F73 HydrophobicContact CE1-CB 4.22Å; Y59-F73 AromaticContact CE1-CD2 3.72Å; Y59-F73 HydrophobicContact CE1-CD2 3.72Å; Y59-F73 HydrophobicContact CE1-CG 4.48Å; Y59-F73 HydrophobicContact CE2-CD2 4.12Å; Y59-F73 HydrophobicContact CG-CD2 4Å; Y59-F73 HydrophobicContact CG-CE2 4.21Å; Y59-F73 AromaticContact CZ-CD2 3.9Å; F73-F75 HydrophobicContact CD1-CB 4.32Å; F73-F75 HydrophobicContact CE1-CB 4.02Å; F73-F75 HydrophobicContact CE1-CD2 4.18Å; F73-P79 CarbonylContact O-C 3.5Å; F73-P79 WeakPolarHBondContact O-CA 3.37Å; F73-A80 HydrophobicContact CD1-CB 4.46Å; F73-A80 PolarHBondContact N-O 2.65Å; F73-A80 PolarHBondContact O-N 3.21Å; F73-A80 VanDerWaalsContact O-O 3.08Å; F73-F82 HydrophobicContact CB-CB 3.67Å; F73-F82 HydrophobicContact CB-CD2 4.44Å; F73-F82 HydrophobicContact CB-CG 4.4Å; F73-F82 HydrophobicContact CD2-CD2 4.2Å; F73-F82 HydrophobicContact CG-CB 4.39Å; F73-F82 HydrophobicContact CG-CD2 4.27Å; F73-I404 HydrophobicContact CD1-CD1 3.59Å; F73-I404 HydrophobicContact CE1-CD1 3.81Å |
| 74 | Y | 94.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 104.5 | 175 | -72.8 | -87.5 | 0 | 0 | 0 | 109.4 | N22 F23 Y25 W26 P36 N42 L76 K78 P79 | N22-Y74 VanDerWaalsContact O-CE1 3.29Å; N22-Y74 WeakPolarHBondContact O-CE1 3.2Å; N22-Y74 PolarHBondContact O-OH 3.4Å; F23-Y74 VanDerWaalsContact C-OH 3.24Å; F23-Y74 PolarHBondContact O-OH 3.31Å; Y25-Y74 WeakPolarHBondContact CB-OH 3.45Å; Y25-Y74 PolarHBondContact N-OH 2.93Å; W26-Y74 AromaticContact CD1-CE2 3.44Å; W26-Y74 VanDerWaalsContact CD1-CE2 3.44Å; W26-Y74 AromaticContact CD1-CZ 3.65Å; W26-Y74 HydrophobicContact CG-CE2 4.47Å; P36-Y74 HydrophobicContact CB-CD1 4.34Å; P36-Y74 HydrophobicContact CB-CD2 3.54Å; P36-Y74 HydrophobicContact CB-CE2 4.15Å; P36-Y74 HydrophobicContact CB-CG 3.64Å; P36-Y74 HydrophobicContact CG-CD1 4.41Å; P36-Y74 HydrophobicContact CG-CD2 3.57Å; P36-Y74 HydrophobicContact CG-CE1 4.49Å; P36-Y74 HydrophobicContact CG-CE2 3.63Å; P36-Y74 HydrophobicContact CG-CG 3.97Å; N42-Y74 PolarHBondContact N-O 3.3Å; N42-Y74 WeakPolarHBondContact OD1-CB 3.42Å; N42-Y74 PolarHBondContact OD1-N 3Å; Y74-L76 PolarHBondContact O-N 3.17Å; Y74-K78 CarbonylContact C-O 3.58Å; Y74-K78 VanDerWaalsContact CA-O 3.32Å; Y74-K78 WeakPolarHBondContact CA-O 3.39Å; Y74-P79 HydrophobicContact CD1-CB 4.3Å; Y74-P79 HydrophobicContact CE1-CB 3.88Å |
| 75 | F | 88.6 | Confident | 94.8 | Very high | 36 Ų | 36 | 26.4 Ų | 26.4 | 16% | 0.158 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 101.1 | 170.4 | -166.1 | -77.7 | 0 | 0 | 0 | 108 | M43 F56 F73 H77 K78 I404 | M43-F75 HydrophobicContact CE-CD2 4.29Å; M43-F75 HydrophobicContact CE-CE1 4.24Å; M43-F75 HydrophobicContact CE-CE2 3.85Å; M43-F75 HydrophobicContact CE-CZ 3.82Å; M43-F75 HydrophobicContact SD-CB 4.42Å; M43-F75 HydrophobicContact SD-CD1 4.26Å; M43-F75 HydrophobicContact SD-CD2 3.34Å; M43-F75 WeakPolarHBondContact SD-CD2 3.36Å; M43-F75 HydrophobicContact SD-CE1 4.35Å; M43-F75 HydrophobicContact SD-CE2 3.47Å; M43-F75 WeakPolarHBondContact SD-CE2 3.3Å; M43-F75 HydrophobicContact SD-CG 3.77Å; M43-F75 HydrophobicContact SD-CZ 3.98Å; F56-F75 HydrophobicContact CZ-CE2 4.47Å; F73-F75 HydrophobicContact CD1-CB 4.32Å; F73-F75 HydrophobicContact CE1-CB 4.02Å; F73-F75 HydrophobicContact CE1-CD2 4.18Å; F75-H77 PolarHBondContact O-N 2.92Å; F75-K78 PolarHBondContact N-O 3.04Å; F75-K78 PolarHBondContact O-N 2.87Å; F75-I404 HydrophobicContact CB-CD1 4.38Å; F75-I404 HydrophobicContact CD2-CD1 4.17Å |
| 76 | L | 86.3 | Confident | 94.9 | Very high | 5 Ų | 5 | 20.6 Ų | 20.6 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | -118.8 | -163.1 | -56.3 | 175 | 0 | 0 | 0 | 109.7 | Y40 G41 F46 Y74 M225 | Y40-L76 HydrophobicContact CD1-CD2 4.48Å; G41-L76 WeakPolarHBondContact CA-O 3.41Å; G41-L76 PolarHBondContact N-O 3.48Å; F46-L76 HydrophobicContact CD1-CD2 4.39Å; Y74-L76 PolarHBondContact O-N 3.17Å; L76-M225 HydrophobicContact CD1-CB 4.36Å; L76-M225 HydrophobicContact CD1-CG 4.19Å |
| 77 | H | 83.8 | Confident | 95 | Very high | 36 Ų | 36 | 22 Ų | 22 | 17% | 0.167 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -4.6 | 176.7 | 71.4 | -35.2 | 0 | 0 | 0 | 113 | N22 F23 F75 S229 F230 | N22-H77 PolarHBondContact ND2-O 2.92Å; F23-H77 HydrophobicContact CE2-CB 3.93Å; F23-H77 HydrophobicContact CZ-CB 4.22Å; F75-H77 PolarHBondContact O-N 2.92Å; H77-S229 WeakPolarHBondContact CE1-CA 3Å; H77-S229 WeakPolarHBondContact CE1-CB 3.37Å; H77-S229 PolarHBondContact CE1-O 3.17Å; H77-S229 PolarHBondContact CE1-OG 3.29Å; H77-S229 VanDerWaalsContact CE1-OG 3.25Å; H77-S229 WeakPolarHBondContact ND1-CB 3.26Å; H77-S229 PolarHBondContact ND1-OG 3.47Å; H77-S229 PolarHBondContact NE2-O 3.13Å; H77-S229 VanDerWaalsContact NE2-O 3.17Å; H77-F230 AromaticContact CD2-CE1 3.82Å; H77-F230 AromaticContact CD2-CE2 3.92Å; H77-F230 AromaticContact CD2-CZ 3.33Å; H77-F230 WeakPolarHBondContact CD2-CZ 3.3Å; H77-F230 AromaticContact NE2-CD1 3.9Å; H77-F230 AromaticContact NE2-CE1 3.32Å; H77-F230 VanDerWaalsContact NE2-CE1 3.32Å; H77-F230 WeakPolarHBondContact NE2-CE1 3.4Å; H77-F230 AromaticContact NE2-CE2 3.54Å; H77-F230 AromaticContact NE2-CZ 3.13Å; H77-F230 WeakPolarHBondContact NE2-CZ 3.47Å |
| 78 | K | 87.9 | Confident | 95.3 | Very high | 54 Ų | 54 | 19 Ų | 19 | 24% | 0.235 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 128.4 | -177.7 | -69.7 | -175.8 | 179 | 167 | 0 | 112.2 | Y74 F75 F228 S229 P231 | Y74-K78 CarbonylContact C-O 3.58Å; Y74-K78 VanDerWaalsContact CA-O 3.32Å; Y74-K78 WeakPolarHBondContact CA-O 3.39Å; F75-K78 PolarHBondContact N-O 3.04Å; F75-K78 PolarHBondContact O-N 2.87Å; K78-F228 WeakPolarHBondContact CE-O 3.18Å; K78-F228 PolarHBondContact NZ-O 3.41Å; K78-S229 WeakPolarHBondContact CE-O 3.15Å; K78-P231 VanDerWaalsContact NZ-CD 3.25Å |
| 79 | P | 94.1 | Very high | 95.4 | Very high | 23 Ų | 23 | 15.6 Ų | 15.6 | 15% | 0.149 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 136.8 | 168.2 | 28.3 | -32.9 | 0 | 0 | 0 | 110.4 | N22 Y25 W26 F73 Y74 | N22-P79 WeakPolarHBondContact OD1-CD 3.49Å; Y25-P79 HydrophobicContact CD1-CB 3.63Å; Y25-P79 HydrophobicContact CD1-CG 4.17Å; Y25-P79 HydrophobicContact CD2-CG 4.37Å; Y25-P79 HydrophobicContact CE1-CB 4.16Å; Y25-P79 HydrophobicContact CG-CB 3.96Å; Y25-P79 HydrophobicContact CG-CG 4.07Å; W26-P79 HydrophobicContact CZ2-CB 4.33Å; F73-P79 CarbonylContact O-C 3.5Å; F73-P79 WeakPolarHBondContact O-CA 3.37Å; Y74-P79 HydrophobicContact CD1-CB 4.3Å; Y74-P79 HydrophobicContact CE1-CB 3.88Å |
| 80 | A | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 140.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110 | W26 F73 F82 Q402 I404 | W26-A80 WeakPolarHBondContact CZ2-O 3.31Å; F73-A80 HydrophobicContact CD1-CB 4.46Å; F73-A80 PolarHBondContact N-O 2.65Å; F73-A80 PolarHBondContact O-N 3.21Å; F73-A80 VanDerWaalsContact O-O 3.08Å; A80-F82 PolarHBondContact O-N 3.42Å; A80-Q402 CarbonylContact C-O 3.55Å; A80-Q402 WeakPolarHBondContact CA-O 3.27Å; A80-Q402 HydrophobicContact CB-CB 3.92Å; A80-I404 HydrophobicContact CB-CD1 3.69Å; A80-I404 HydrophobicContact CB-CG1 4.08Å |
| 81 | A | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 114.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108 | W26 F70 I83 I397 T401 Q402 V403 I404 | W26-A81 HydrophobicContact CH2-CB 4.02Å; W26-A81 HydrophobicContact CZ2-CB 4.44Å; F70-A81 HydrophobicContact CD2-CB 3.83Å; F70-A81 HydrophobicContact CE2-CB 4.21Å; F70-A81 HydrophobicContact CG-CB 4.35Å; A81-I83 HydrophobicContact CB-CD1 4.42Å; A81-I397 HydrophobicContact CB-CD1 4.27Å; A81-I397 HydrophobicContact CB-CG1 4.26Å; A81-I397 HydrophobicContact CB-CG2 4.28Å; A81-T401 HydrophobicContact CB-CG2 4.31Å; A81-Q402 PolarHBondContact N-O 3.45Å; A81-V403 HydrophobicContact CB-CG2 4.4Å; A81-V403 CarbonylContact O-C 3.56Å; A81-V403 WeakPolarHBondContact O-CA 3.23Å; A81-I404 PolarHBondContact O-N 3.49Å |
| 82 | F | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 110.4 | 177.8 | -173.9 | -86.7 | 0 | 0 | 0 | 108.8 | F56 Y59 Y60 F70 V71 F73 A80 V84 I404 P406 | F56-F82 HydrophobicContact CB-CE2 4.2Å; F56-F82 HydrophobicContact CB-CZ 4.29Å; F56-F82 HydrophobicContact CD1-CD2 4.46Å; F56-F82 AromaticContact CD1-CE2 3.63Å; F56-F82 HydrophobicContact CD1-CE2 3.63Å; F56-F82 HydrophobicContact CD1-CZ 4.49Å; F56-F82 HydrophobicContact CE1-CE2 4.4Å; F56-F82 HydrophobicContact CG-CE2 4.23Å; Y59-F82 AromaticContact CD1-CD1 3.91Å; Y59-F82 HydrophobicContact CD1-CD1 3.91Å; Y59-F82 HydrophobicContact CD1-CD2 4.4Å; Y59-F82 HydrophobicContact CD1-CE1 4.09Å; Y59-F82 HydrophobicContact CD1-CG 4.06Å; Y59-F82 HydrophobicContact CD1-CZ 4.41Å; Y59-F82 HydrophobicContact CE1-CG 4.47Å; Y60-F82 HydrophobicContact CD2-CE1 4.29Å; F70-F82 CarbonylContact C-O 3.06Å; F70-F82 VanDerWaalsContact CA-O 3.25Å; F70-F82 WeakPolarHBondContact CA-O 3.32Å; F70-F82 WeakPolarHBondContact CB-O 3.37Å; V71-F82 HydrophobicContact CG2-CB 4.13Å; V71-F82 HydrophobicContact CG2-CD1 4Å; V71-F82 HydrophobicContact CG2-CG 4.49Å; V71-F82 PolarHBondContact N-O 2.92Å; V71-F82 PolarHBondContact O-N 2.88Å; F73-F82 HydrophobicContact CB-CB 3.67Å; F73-F82 HydrophobicContact CB-CD2 4.44Å; F73-F82 HydrophobicContact CB-CG 4.4Å; F73-F82 HydrophobicContact CD2-CD2 4.2Å; F73-F82 HydrophobicContact CG-CB 4.39Å; F73-F82 HydrophobicContact CG-CD2 4.27Å; A80-F82 PolarHBondContact O-N 3.42Å; F82-V84 HydrophobicContact CD1-CG2 4.06Å; F82-V84 HydrophobicContact CE1-CG2 4.48Å; F82-I404 HydrophobicContact CD2-CB 4.1Å; F82-I404 HydrophobicContact CD2-CG2 3.73Å; F82-I404 HydrophobicContact CE2-CG2 3.94Å; F82-P406 HydrophobicContact CE1-CB 4.2Å; F82-P406 HydrophobicContact CE1-CG 3.73Å; F82-P406 HydrophobicContact CE2-CB 3.81Å; F82-P406 HydrophobicContact CE2-CG 4.12Å; F82-P406 HydrophobicContact CZ-CB 3.41Å; F82-P406 VanDerWaalsContact CZ-CB 3.41Å; F82-P406 HydrophobicContact CZ-CG 3.47Å; F82-P406 VanDerWaalsContact CZ-CG 3.47Å |
| 83 | I | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 130.1 | -173.1 | -50.5 | -51.9 | 0 | 0 | 0 | 109 | F70 A81 D85 L88 A89 I92 I397 V403 I404 I405 P406 Y410 | F70-I83 HydrophobicContact CB-CD1 3.72Å; A81-I83 HydrophobicContact CB-CD1 4.42Å; I83-D85 VanDerWaalsContact CG2-O 3.29Å; I83-D85 WeakPolarHBondContact CG2-O 3.43Å; I83-L88 HydrophobicContact CD1-CD2 3.88Å; I83-L88 HydrophobicContact CD1-CG 4.32Å; I83-L88 HydrophobicContact CG2-CB 4.11Å; I83-L88 HydrophobicContact CG2-CD2 4.23Å; I83-L88 HydrophobicContact CG2-CG 4.07Å; I83-A89 HydrophobicContact CG2-CB 4.1Å; I83-I92 HydrophobicContact CD1-CD1 3.65Å; I83-I92 HydrophobicContact CG1-CD1 3.93Å; I83-I397 HydrophobicContact CD1-CD1 4.3Å; I83-V403 HydrophobicContact CD1-CG1 3.78Å; I83-V403 HydrophobicContact CG1-CG1 3.53Å; I83-I404 PolarHBondContact N-O 3.12Å; I83-I405 HydrophobicContact CB-CG1 4.12Å; I83-I405 HydrophobicContact CG1-CG1 3.87Å; I83-P406 WeakPolarHBondContact O-CD 3.33Å; I83-P406 WeakPolarHBondContact O-CG 3.12Å; I83-Y410 PolarHBondContact O-OH 3.15Å |
| 84 | V | 97.6 | Very high | 95.5 | Very high | 8 Ų | 8 | 21.2 Ų | 21.2 | 5% | 0.048 | 11% | 0.105 | C | C | . | . | trans | -113.7 | -35.3 | -176.4 | 178.1 | 0 | 0 | 0 | 0 | 110.2 | Y60 R64 P69 V71 F82 | Y60-V84 HydrophobicContact CD2-CG1 4.36Å; Y60-V84 HydrophobicContact CE2-CG1 4.02Å; Y60-V84 WeakPolarHBondContact CE2-O 3.42Å; R64-V84 HydrophobicContact CB-CG1 4Å; P69-V84 PolarHBondContact O-N 2.7Å; V71-V84 HydrophobicContact CG1-CG2 4.35Å; V71-V84 HydrophobicContact CG2-CG2 3.81Å; F82-V84 HydrophobicContact CD1-CG2 4.06Å; F82-V84 HydrophobicContact CE1-CG2 4.48Å | ||
| 85 | D | 97.1 | Very high | 95.7 | Very high | 58 Ų | 58 | 27.2 Ų | 27.2 | 31% | 0.31 | 13% | 0.131 | S | C | . | . | trans | -86.5 | 127.5 | 176.5 | 170 | 30.3 | 0 | 0 | 0 | 111.6 | P69 I83 Q87 L88 A89 | P69-D85 HydrophobicContact CB-CB 3.99Å; P69-D85 PolarHBondContact O-N 3.23Å; I83-D85 VanDerWaalsContact CG2-O 3.29Å; I83-D85 WeakPolarHBondContact CG2-O 3.43Å; D85-Q87 VanDerWaalsContact C-N 3.27Å; D85-Q87 PolarHBondContact O-N 2.9Å; D85-Q87 WeakPolarHBondContact OD1-CB 3.31Å; D85-Q87 PolarHBondContact OD1-N 3.45Å; D85-L88 HydrophobicContact CB-CB 4.25Å; D85-L88 PolarHBondContact O-N 2.95Å; D85-L88 PolarHBondContact OD2-N 3.07Å; D85-A89 PolarHBondContact O-N 3.23Å | ||
| 86 | T | 97.3 | Very high | 96.1 | Very high | 28 Ų | 28 | 27.9 Ų | 27.9 | 17% | 0.172 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66 | -30 | 176.9 | 57 | 0 | 0 | 0 | 0 | 111.6 | A89 K90 Y410 L416 E440 | T86-A89 WeakPolarHBondContact O-CB 3.4Å; T86-A89 PolarHBondContact O-N 2.86Å; T86-K90 PolarHBondContact O-N 3.45Å; T86-Y410 HydrophobicContact CG2-CD2 4.04Å; T86-Y410 HydrophobicContact CG2-CE2 3.95Å; T86-Y410 HydrophobicContact CG2-CG 4.35Å; T86-L416 HydrophobicContact CG2-CD1 4.07Å; T86-E440 HydrophobicContact CG2-CG 4.39Å |
| 87 | Q | 97.1 | Very high | 96.7 | Very high | 74 Ų | 74 | 28.9 Ų | 28.9 | 35% | 0.346 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -69.4 | -40.1 | 177.2 | -175.8 | 54 | 67.7 | 0 | 0 | 111.6 | D85 A89 K90 N91 | D85-Q87 VanDerWaalsContact C-N 3.27Å; D85-Q87 PolarHBondContact O-N 2.9Å; D85-Q87 WeakPolarHBondContact OD1-CB 3.31Å; D85-Q87 PolarHBondContact OD1-N 3.45Å; Q87-A89 VanDerWaalsContact C-N 3.33Å; Q87-K90 WeakPolarHBondContact O-CB 3.4Å; Q87-K90 PolarHBondContact O-N 2.96Å; Q87-N91 PolarHBondContact NE2-OD1 3Å; Q87-N91 VanDerWaalsContact NE2-OD1 3.12Å; Q87-N91 VanDerWaalsContact O-CG 3.32Å; Q87-N91 PolarHBondContact O-N 3.46Å; Q87-N91 PolarHBondContact O-OD1 3.37Å |
| 88 | L | 98.4 | Very high | 97.3 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.7 | -39.6 | 168.7 | 180 | 55.9 | 0 | 0 | 0 | 111.6 | P69 F70 I83 D85 K90 N91 I92 Y387 V389 | P69-L88 HydrophobicContact CB-CB 4.35Å; P69-L88 HydrophobicContact CB-CD2 3.85Å; P69-L88 HydrophobicContact CG-CD2 4.43Å; F70-L88 HydrophobicContact CB-CD2 4.12Å; F70-L88 HydrophobicContact CD1-CD2 4.01Å; I83-L88 HydrophobicContact CD1-CD2 3.88Å; I83-L88 HydrophobicContact CD1-CG 4.32Å; I83-L88 HydrophobicContact CG2-CB 4.11Å; I83-L88 HydrophobicContact CG2-CD2 4.23Å; I83-L88 HydrophobicContact CG2-CG 4.07Å; D85-L88 HydrophobicContact CB-CB 4.25Å; D85-L88 PolarHBondContact O-N 2.95Å; D85-L88 PolarHBondContact OD2-N 3.07Å; L88-K90 VanDerWaalsContact C-N 3.33Å; L88-K90 PolarHBondContact O-N 3.47Å; L88-N91 PolarHBondContact O-N 3.4Å; L88-I92 HydrophobicContact CD1-CD1 3.85Å; L88-I92 HydrophobicContact CD1-CG1 4.08Å; L88-I92 HydrophobicContact CD2-CD1 4.44Å; L88-I92 HydrophobicContact CG-CD1 3.8Å; L88-I92 HydrophobicContact CG-CG1 4.45Å; L88-I92 WeakPolarHBondContact O-CG1 3.39Å; L88-I92 PolarHBondContact O-N 3.48Å; L88-Y387 HydrophobicContact CD1-CE1 3.86Å; L88-V389 HydrophobicContact CD1-CG1 4.11Å; L88-V389 HydrophobicContact CD1-CG2 4.44Å; L88-V389 HydrophobicContact CD2-CG1 4.19Å; L88-V389 HydrophobicContact CD2-CG2 4.25Å |
| 89 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.1 | -41.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | I83 D85 T86 Q87 N91 I92 L93 I405 Y410 | I83-A89 HydrophobicContact CG2-CB 4.1Å; D85-A89 PolarHBondContact O-N 3.23Å; T86-A89 WeakPolarHBondContact O-CB 3.4Å; T86-A89 PolarHBondContact O-N 2.86Å; Q87-A89 VanDerWaalsContact C-N 3.33Å; A89-N91 VanDerWaalsContact C-N 3.34Å; A89-N91 PolarHBondContact O-N 3.43Å; A89-I92 PolarHBondContact O-N 3.39Å; A89-L93 WeakPolarHBondContact O-CB 3.38Å; A89-L93 VanDerWaalsContact O-CG 3.26Å; A89-L93 WeakPolarHBondContact O-CG 3.38Å; A89-L93 PolarHBondContact O-N 3.18Å; A89-I405 HydrophobicContact CB-CD1 4.43Å; A89-I405 HydrophobicContact CB-CG1 4.41Å; A89-I405 HydrophobicContact CB-CG2 3.99Å; A89-Y410 HydrophobicContact CB-CE2 3.98Å |
| 90 | K | 98.4 | Very high | 98 | Very high | 43 Ų | 43 | 29.1 Ų | 29.1 | 19% | 0.187 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.5 | -42.2 | 173.3 | -171.9 | 170.9 | 178.8 | 176.2 | 0 | 112.4 | T86 Q87 L88 I94 K95 E437 V439 | T86-K90 PolarHBondContact O-N 3.45Å; Q87-K90 WeakPolarHBondContact O-CB 3.4Å; Q87-K90 PolarHBondContact O-N 2.96Å; L88-K90 VanDerWaalsContact C-N 3.33Å; L88-K90 PolarHBondContact O-N 3.47Å; K90-I94 HydrophobicContact CG-CD1 4.16Å; K90-I94 WeakPolarHBondContact O-CB 3.45Å; K90-I94 PolarHBondContact O-N 2.98Å; K90-K95 PolarHBondContact O-N 2.96Å; K90-E437 VanDerWaalsContact NZ-CD 3.25Å; K90-E437 IonicContact NZ-OE1 3.11Å; K90-E437 PolarHBondContact NZ-OE1 3.35Å; K90-E437 VanDerWaalsContact NZ-OE1 3.16Å; K90-E437 IonicContact NZ-OE2 3.21Å; K90-E437 PolarHBondContact NZ-OE2 2.84Å; K90-V439 HydrophobicContact CB-CG1 3.99Å; K90-V439 HydrophobicContact CB-CG2 3.9Å; K90-V439 HydrophobicContact CG-CG1 4.34Å |
| 91 | N | 98.4 | Very high | 98 | Very high | 15 Ų | 15 | 29.9 Ų | 29.9 | 8% | 0.08 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -62.9 | -50 | 176.6 | -64.5 | -9.3 | 0 | 0 | 0 | 110.5 | Q87 L88 A89 L93 K95 D96 | Q87-N91 PolarHBondContact NE2-OD1 3Å; Q87-N91 VanDerWaalsContact NE2-OD1 3.12Å; Q87-N91 VanDerWaalsContact O-CG 3.32Å; Q87-N91 PolarHBondContact O-N 3.46Å; Q87-N91 PolarHBondContact O-OD1 3.37Å; L88-N91 PolarHBondContact O-N 3.4Å; A89-N91 VanDerWaalsContact C-N 3.34Å; A89-N91 PolarHBondContact O-N 3.43Å; N91-L93 PolarHBondContact O-N 3.37Å; N91-K95 PolarHBondContact O-N 2.65Å; N91-K95 VanDerWaalsContact O-N 3.14Å; N91-K95 WeakPolarHBondContact OD1-CD 3.37Å; N91-D96 PolarHBondContact O-N 3.11Å |
| 92 | I | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -64.1 | -42.6 | -177.9 | -69.9 | 170.7 | 0 | 0 | 0 | 112.6 | I83 L88 A89 F100 R381 I397 V403 I405 | I83-I92 HydrophobicContact CD1-CD1 3.65Å; I83-I92 HydrophobicContact CG1-CD1 3.93Å; L88-I92 HydrophobicContact CD1-CD1 3.85Å; L88-I92 HydrophobicContact CD1-CG1 4.08Å; L88-I92 HydrophobicContact CD2-CD1 4.44Å; L88-I92 HydrophobicContact CG-CD1 3.8Å; L88-I92 HydrophobicContact CG-CG1 4.45Å; L88-I92 WeakPolarHBondContact O-CG1 3.39Å; L88-I92 PolarHBondContact O-N 3.48Å; A89-I92 PolarHBondContact O-N 3.39Å; I92-F100 HydrophobicContact CB-CD2 4.18Å; I92-F100 HydrophobicContact CB-CE2 4.44Å; I92-F100 HydrophobicContact CB-CG 4.41Å; I92-F100 HydrophobicContact CG1-CD2 4.05Å; I92-F100 HydrophobicContact CG1-CE1 4.38Å; I92-F100 HydrophobicContact CG1-CE2 3.81Å; I92-F100 HydrophobicContact CG1-CG 4.46Å; I92-F100 HydrophobicContact CG1-CZ 3.98Å; I92-F100 HydrophobicContact CG2-CB 3.96Å; I92-F100 HydrophobicContact CG2-CD1 4.07Å; I92-F100 HydrophobicContact CG2-CD2 4.05Å; I92-F100 HydrophobicContact CG2-CG 3.77Å; I92-R381 HydrophobicContact CG2-CB 4.23Å; I92-R381 HydrophobicContact CG2-CG 3.97Å; I92-I397 HydrophobicContact CD1-CD1 4.19Å; I92-V403 HydrophobicContact CD1-CG1 3.96Å; I92-V403 HydrophobicContact CG2-CG1 4.28Å; I92-I405 HydrophobicContact CG2-CD1 4.13Å |
| 93 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -78.9 | -33.7 | -175.6 | -67.2 | 176.1 | 0 | 0 | 0 | 112.9 | A89 N91 L379 R381 I405 V439 L442 D446 G447 | A89-L93 WeakPolarHBondContact O-CB 3.38Å; A89-L93 VanDerWaalsContact O-CG 3.26Å; A89-L93 WeakPolarHBondContact O-CG 3.38Å; A89-L93 PolarHBondContact O-N 3.18Å; N91-L93 PolarHBondContact O-N 3.37Å; L93-L379 HydrophobicContact CD1-CD1 3.98Å; L93-L379 HydrophobicContact CD2-CD1 4.1Å; L93-R381 HydrophobicContact CD2-CG 4.48Å; L93-R381 VanDerWaalsContact CD2-NH2 3.28Å; L93-I405 HydrophobicContact CD1-CD1 3.96Å; L93-I405 HydrophobicContact CD2-CD1 3.54Å; L93-I405 HydrophobicContact CG-CD1 3.61Å; L93-V439 HydrophobicContact CD1-CG1 4.19Å; L93-L442 HydrophobicContact CD1-CD1 4.28Å; L93-L442 HydrophobicContact CD1-CD2 3.9Å; L93-D446 HydrophobicContact CD1-CB 4.22Å; L93-G447 WeakPolarHBondContact O-CA 3.08Å |
| 94 | I | 98.2 | Very high | 97.4 | Very high | 63 Ų | 63 | 33.1 Ų | 33.1 | 32% | 0.323 | 18% | 0.177 | S | C | . | . | I | π-helix | trans | -121.7 | -66.3 | -168.5 | -58.8 | 160.1 | 0 | 0 | 0 | 111.8 | K90 F97 V439 | K90-I94 HydrophobicContact CG-CD1 4.16Å; K90-I94 WeakPolarHBondContact O-CB 3.45Å; K90-I94 PolarHBondContact O-N 2.98Å; I94-F97 WeakPolarHBondContact O-CB 3.44Å; I94-V439 HydrophobicContact CD1-CG1 4.16Å |
| 95 | K | 97.9 | Very high | 96.9 | Very high | 126 Ų | 126 | 34.6 Ų | 34.6 | 55% | 0.548 | 18% | 0.183 | S | C | . | . | I | π-helix | trans | -67.6 | -47.6 | -166.9 | -59.9 | -173.1 | -173.7 | 164.5 | 0 | 112.6 | K90 N91 | K90-K95 PolarHBondContact O-N 2.96Å; N91-K95 PolarHBondContact O-N 2.65Å; N91-K95 VanDerWaalsContact O-N 3.14Å; N91-K95 WeakPolarHBondContact OD1-CD 3.37Å |
| 96 | D | 97.9 | Very high | 96.5 | Very high | 51 Ų | 51 | 32.1 Ų | 32.1 | 27% | 0.273 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 24.5 | -175.8 | -56.6 | -42.7 | 0 | 0 | 0 | 111.4 | N91 S98 N99 F100 Y387 | N91-D96 PolarHBondContact O-N 3.11Å; D96-S98 PolarHBondContact O-N 2.97Å; D96-N99 PolarHBondContact O-N 3.1Å; D96-F100 HydrophobicContact CB-CD2 4.37Å; D96-F100 HydrophobicContact CB-CE2 4.36Å; D96-F100 WeakPolarHBondContact O-CD2 3.2Å; D96-Y387 HydrophobicContact CB-CE2 3.88Å; D96-Y387 VanDerWaalsContact OD2-CE2 3.3Å; D96-Y387 WeakPolarHBondContact OD2-CE2 3.46Å; D96-Y387 PolarHBondContact OD2-OH 3.31Å |
| 97 | F | 97.8 | Very high | 96.1 | Very high | 26 Ų | 26 | 33.9 Ų | 33.9 | 11% | 0.114 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -52.4 | -32.1 | -176.6 | 175 | -98.4 | 0 | 0 | 0 | 113 | I94 N99 F100 A101 W126 P448 R449 | I94-F97 WeakPolarHBondContact O-CB 3.44Å; F97-N99 PolarHBondContact O-N 2.82Å; F97-F100 CarbonylContact O-C 3.57Å; F97-F100 PolarHBondContact O-N 3.08Å; F97-A101 HydrophobicContact CE1-CB 3.98Å; F97-A101 HydrophobicContact CZ-CB 3.94Å; F97-A101 WeakPolarHBondContact O-CA 3.43Å; F97-A101 PolarHBondContact O-N 3.38Å; F97-W126 AromaticContact CE1-CH2 3.9Å; F97-W126 HydrophobicContact CE1-CH2 3.9Å; F97-W126 AromaticContact CE1-CZ3 3.98Å; F97-W126 HydrophobicContact CE1-CZ3 3.98Å; F97-W126 AromaticContact CZ-CH2 3.44Å; F97-W126 HydrophobicContact CZ-CH2 3.44Å; F97-W126 VanDerWaalsContact CZ-CH2 3.44Å; F97-W126 HydrophobicContact CZ-CZ2 4.31Å; F97-W126 AromaticContact CZ-CZ3 3.74Å; F97-W126 HydrophobicContact CZ-CZ3 3.74Å; F97-P448 HydrophobicContact CB-CG 4.42Å; F97-P448 HydrophobicContact CD1-CB 3.92Å; F97-P448 HydrophobicContact CD1-CG 3.65Å; F97-P448 HydrophobicContact CD2-CB 4.48Å; F97-P448 HydrophobicContact CD2-CG 4.26Å; F97-P448 HydrophobicContact CE1-CB 3.69Å; F97-P448 HydrophobicContact CE1-CG 3.98Å; F97-P448 HydrophobicContact CE2-CB 4.28Å; F97-P448 HydrophobicContact CG-CB 4.32Å; F97-P448 HydrophobicContact CG-CG 3.81Å; F97-P448 HydrophobicContact CZ-CB 3.9Å; F97-P448 HydrophobicContact CZ-CG 4.43Å; F97-R449 HydrophobicContact CE2-CB 3.65Å; F97-R449 HydrophobicContact CZ-CB 3.91Å |
| 98 | S | 97.4 | Very high | 95.7 | Very high | 101 Ų | 101 | 30.7 Ų | 30.7 | 71% | 0.706 | 16% | 0.162 | S | C | * | . | G | 310 helix | trans | -57.4 | -32.2 | 177.3 | 58.8 | 0 | 0 | 0 | 0 | 113 | D96 | D96-S98 PolarHBondContact O-N 2.97Š|
| 99 | N | 98.3 | Very high | 95.1 | Very high | 16 Ų | 16 | 31.7 Ų | 31.7 | 9% | 0.086 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -86.1 | -13.3 | 175.8 | -164.2 | 45 | 0 | 0 | 0 | 113.4 | D96 F97 L384 N385 | D96-N99 PolarHBondContact O-N 3.1Å; F97-N99 PolarHBondContact O-N 2.82Å; N99-L384 WeakPolarHBondContact O-CB 3.43Å; N99-L384 WeakPolarHBondContact O-CG 3.32Å; N99-L384 PolarHBondContact O-N 3.46Å; N99-N385 PolarHBondContact ND2-O 3.27Å; N99-N385 WeakPolarHBondContact OD1-CA 3.34Å; N99-N385 VanDerWaalsContact OD1-CB 3.26Å; N99-N385 WeakPolarHBondContact OD1-CB 3.35Å; N99-N385 PolarHBondContact OD1-N 3.1Å; N99-N385 PolarHBondContact OD1-ND2 3.44Å; N99-N385 PolarHBondContact OD1-O 3.3Å |
| 100 | F | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -126.9 | 35 | -176.3 | -60.8 | -76.6 | 0 | 0 | 0 | 110.7 | I92 D96 F97 D102 R381 A383 Y387 V403 | I92-F100 HydrophobicContact CB-CD2 4.18Å; I92-F100 HydrophobicContact CB-CE2 4.44Å; I92-F100 HydrophobicContact CB-CG 4.41Å; I92-F100 HydrophobicContact CG1-CD2 4.05Å; I92-F100 HydrophobicContact CG1-CE1 4.38Å; I92-F100 HydrophobicContact CG1-CE2 3.81Å; I92-F100 HydrophobicContact CG1-CG 4.46Å; I92-F100 HydrophobicContact CG1-CZ 3.98Å; I92-F100 HydrophobicContact CG2-CB 3.96Å; I92-F100 HydrophobicContact CG2-CD1 4.07Å; I92-F100 HydrophobicContact CG2-CD2 4.05Å; I92-F100 HydrophobicContact CG2-CG 3.77Å; D96-F100 HydrophobicContact CB-CD2 4.37Å; D96-F100 HydrophobicContact CB-CE2 4.36Å; D96-F100 WeakPolarHBondContact O-CD2 3.2Å; F97-F100 CarbonylContact O-C 3.57Å; F97-F100 PolarHBondContact O-N 3.08Å; F100-D102 VanDerWaalsContact C-N 3.27Å; F100-D102 PolarHBondContact O-N 3.43Å; F100-R381 HydrophobicContact CB-CB 4.09Å; F100-R381 HydrophobicContact CB-CG 4.28Å; F100-R381 HydrophobicContact CD1-CB 4.42Å; F100-R381 WeakPolarHBondContact O-CD 3.31Å; F100-A383 HydrophobicContact CD1-CB 4.32Å; F100-A383 HydrophobicContact CE1-CB 3.8Å; 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 4.32Å; F100-Y387 AromaticContact CE2-CE2 3.92Å; F100-Y387 HydrophobicContact CE2-CE2 3.92Å; F100-Y387 AromaticContact CE2-CG 3.85Å; F100-Y387 HydrophobicContact CE2-CG 3.85Å; 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 3.56Å; F100-Y387 HydrophobicContact CZ-CG 3.56Å; F100-V403 HydrophobicContact CD1-CG2 4.22Å; F100-V403 HydrophobicContact CE1-CG2 3.97Å |
| 101 | A | 97.3 | Very high | 94 | Very high | 16 Ų | 16 | 40.2 Ų | 40.2 | 13% | 0.132 | 21% | 0.206 | C | C | . | . | trans | -70.4 | -29.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F97 L384 R449 | F97-A101 HydrophobicContact CE1-CB 3.98Å; F97-A101 HydrophobicContact CZ-CB 3.94Å; F97-A101 WeakPolarHBondContact O-CA 3.43Å; F97-A101 PolarHBondContact O-N 3.38Å; A101-L384 HydrophobicContact CB-CD1 4.26Å; A101-R449 WeakPolarHBondContact O-CD 3.26Å; A101-R449 PolarHBondContact O-NH1 2.64Å | ||
| 102 | D | 97.4 | Very high | 93.7 | Very high | 22 Ų | 22 | 39.5 Ų | 39.5 | 12% | 0.118 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -91.2 | 151.2 | -171 | -74.9 | -3 | 0 | 0 | 0 | 113.6 | F100 D122 G123 R381 K382 L384 R449 | F100-D102 VanDerWaalsContact C-N 3.27Å; F100-D102 PolarHBondContact O-N 3.43Å; D102-D122 VanDerWaalsContact CA-OD1 3.31Å; D102-D122 WeakPolarHBondContact CA-OD1 3.34Å; D102-D122 HydrophobicContact CB-CB 4.18Å; D102-D122 WeakPolarHBondContact CB-OD1 3.43Å; D102-D122 VanDerWaalsContact CG-CB 3.5Å; D102-D122 WeakPolarHBondContact OD1-CB 3.14Å; D102-G123 PolarHBondContact OD1-N 2.96Å; D102-R381 CarbonylContact O-C 3.58Å; D102-R381 VanDerWaalsContact O-CA 3.25Å; D102-R381 WeakPolarHBondContact O-CA 3.39Å; D102-K382 HydrophobicContact CB-CB 4.3Å; D102-K382 PolarHBondContact O-N 3.09Å; D102-L384 HydrophobicContact CB-CD2 4Å; D102-L384 WeakPolarHBondContact OD2-CD2 2.87Å; D102-R449 IonicContact OD1-NH1 3.28Å |
| 103 | R | 94.8 | Very high | 93.3 | Very high | 32 Ų | 32 | 40.6 Ų | 40.6 | 12% | 0.121 | 21% | 0.21 | C | C | . | . | trans | -97.8 | -22.3 | 168.8 | -69.8 | -177.9 | -176.4 | 167 | -7.5 | 112.7 | Q105 F119 D122 Q402 R449 | R103-Q105 VanDerWaalsContact C-N 3.29Å; R103-Q105 HydrophobicContact CB-CG 4.11Å; R103-Q105 PolarHBondContact O-N 2.87Å; R103-F119 PolarHBondContact NH1-O 3.04Å; R103-D122 PolarHBondContact N-OD1 2.97Å; R103-Q402 PolarHBondContact O-NE2 3.4Å; R103-R449 PolarHBondContact NH2-O 3.44Å | ||
| 104 | G | 89.9 | Confident | 93.1 | Very high | 14 Ų | 14 | 40.6 Ų | 40.6 | 14% | 0.144 | 21% | 0.21 | C | C | . | . | trans | 70.7 | 23.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D122 | G104-D122 VanDerWaalsContact CA-OD2 3.25Å; G104-D122 WeakPolarHBondContact CA-OD2 3.34Å; G104-D122 PolarHBondContact N-OD2 2.99Å | ||
| 105 | Q | 87.5 | Confident | 92.9 | Very high | 39 Ų | 39 | 37.7 Ų | 37.7 | 18% | 0.182 | 19% | 0.194 | C | C | . | . | trans | -75.9 | 158.9 | -178.7 | -77.3 | -62.4 | -38 | 0 | 0 | 112.5 | R103 N120 E380 | R103-Q105 VanDerWaalsContact C-N 3.29Å; R103-Q105 HydrophobicContact CB-CG 4.11Å; R103-Q105 PolarHBondContact O-N 2.87Å; Q105-N120 HydrophobicContact CB-CB 4.33Å; Q105-E380 PolarHBondContact NE2-OE2 3Å | ||
| 106 | F | 88.4 | Confident | 92.6 | Very high | 7 Ų | 7 | 32.6 Ų | 32.6 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | trans | -71.7 | 131.1 | 175.4 | 175.6 | -97.5 | 0 | 0 | 0 | 110.6 | N108 N120 V227 P231 A234 M241 | F106-N108 HydrophobicContact CE1-CB 4.21Å; F106-N108 HydrophobicContact CE2-CB 4.44Å; F106-N108 HydrophobicContact CZ-CB 3.74Å; F106-N120 PolarHBondContact O-ND2 2.81Å; F106-V227 HydrophobicContact CB-CG1 4.25Å; F106-V227 HydrophobicContact CD1-CG1 3.8Å; F106-V227 HydrophobicContact CD2-CG1 3.75Å; F106-V227 HydrophobicContact CE1-CG1 4.04Å; F106-V227 HydrophobicContact CE2-CG1 3.98Å; F106-V227 HydrophobicContact CG-CG1 3.65Å; F106-V227 HydrophobicContact CZ-CG1 4.12Å; F106-P231 HydrophobicContact CB-CB 4.03Å; F106-P231 HydrophobicContact CD2-CB 3.81Å; F106-P231 HydrophobicContact CG-CB 4.43Å; F106-A234 HydrophobicContact CD2-CB 4.47Å; F106-A234 HydrophobicContact CE2-CB 3.93Å; F106-M241 HydrophobicContact CD1-CB 4.2Å; F106-M241 HydrophobicContact CD1-CE 4.28Å; F106-M241 HydrophobicContact CD1-SD 4.14Å; F106-M241 HydrophobicContact CE1-CB 4.01Å | ||
| 107 | H | 88.4 | Confident | 92.4 | Very high | 64 Ų | 64 | 31 Ų | 31 | 30% | 0.296 | 16% | 0.163 | S | C | . | . | trans | -146.9 | 141.9 | 163.3 | 63 | 82.9 | 0 | 0 | 0 | 110 | T115 N120 | H107-T115 WeakPolarHBondContact CB-O 3.46Å; H107-N120 HydrophobicContact CB-CB 4.19Å; H107-N120 PolarHBondContact CD2-O 3.27Å | ||
| 108 | N | 88.8 | Confident | 92.3 | Very high | 8 Ų | 8 | 30.2 Ų | 30.2 | 4% | 0.043 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -133.8 | 82.9 | 175.4 | -177 | 6.7 | 0 | 0 | 0 | 109.7 | F106 R110 D111 D112 T115 M239 | F106-N108 HydrophobicContact CE1-CB 4.21Å; F106-N108 HydrophobicContact CE2-CB 4.44Å; F106-N108 HydrophobicContact CZ-CB 3.74Å; N108-R110 PolarHBondContact O-N 3.27Å; N108-R110 PolarHBondContact OD1-N 3.11Å; N108-D111 WeakPolarHBondContact ND2-CB 3.43Å; N108-D111 PolarHBondContact ND2-OD2 3.21Å; N108-D111 PolarHBondContact OD1-N 3.36Å; N108-D111 PolarHBondContact OD1-OD2 2.62Å; N108-D112 HydrophobicContact CB-CB 4.38Å; N108-D112 CarbonylContact O-C 3.41Å; N108-D112 WeakPolarHBondContact O-CA 3.49Å; N108-D112 PolarHBondContact O-N 2.71Å; N108-T115 PolarHBondContact N-OG1 3.42Å; N108-M239 PolarHBondContact ND2-O 3.21Å |
| 109 | G | 85.9 | Confident | 92.1 | Very high | 22 Ų | 22 | 30 Ų | 30 | 23% | 0.227 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -25.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q116 | G109-Q116 VanDerWaalsContact CA-OE1 3.23Š|
| 110 | R | 86 | Confident | 91.9 | Very high | 181 Ų | 181 | 29.6 Ų | 29.6 | 68% | 0.683 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -51.4 | -178 | -179.3 | -171.9 | 173.7 | 169.8 | 3.9 | 111.8 | N108 | N108-R110 PolarHBondContact O-N 3.27Å; N108-R110 PolarHBondContact OD1-N 3.11Å |
| 111 | D | 88.8 | Confident | 91.8 | Very high | 41 Ų | 41 | 29.7 Ų | 29.7 | 22% | 0.219 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -16.5 | -173.8 | -44.3 | -75.6 | 0 | 0 | 0 | 112.6 | N108 R238 R240 | N108-D111 WeakPolarHBondContact ND2-CB 3.43Å; N108-D111 PolarHBondContact ND2-OD2 3.21Å; N108-D111 PolarHBondContact OD1-N 3.36Å; N108-D111 PolarHBondContact OD1-OD2 2.62Å; D111-R238 HydrophobicContact CB-CB 4.45Å; D111-R238 WeakPolarHBondContact OD2-CB 3.33Å; D111-R238 WeakPolarHBondContact OD2-CG 3.36Å; D111-R240 HydrophobicContact CB-CG 4.38Å; D111-R240 WeakPolarHBondContact O-CD 3.32Å; D111-R240 WeakPolarHBondContact O-CG 3.47Å; D111-R240 PolarHBondContact O-NE 2.9Å |
| 112 | D | 90.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -136.7 | 67.5 | 176.3 | -160.8 | 8 | 0 | 0 | 0 | 112.7 | N108 L114 T115 R240 M241 M242 | N108-D112 HydrophobicContact CB-CB 4.38Å; N108-D112 CarbonylContact O-C 3.41Å; N108-D112 WeakPolarHBondContact O-CA 3.49Å; N108-D112 PolarHBondContact O-N 2.71Å; D112-L114 PolarHBondContact O-N 3.17Å; D112-T115 HydrophobicContact CB-CG2 4.07Å; D112-T115 WeakPolarHBondContact O-CB 3.39Å; D112-T115 PolarHBondContact O-N 3.38Å; D112-T115 PolarHBondContact O-OG1 3.17Å; D112-T115 WeakPolarHBondContact OD2-CG2 3.34Å; D112-R240 HydrophobicContact CB-CB 4.09Å; D112-R240 HydrophobicContact CB-CG 4.05Å; D112-M241 WeakPolarHBondContact OD2-CA 3.48Å; D112-M241 PolarHBondContact OD2-N 2.77Å; D112-M242 PolarHBondContact OD2-N 3.37Å |
| 113 | P | 92.3 | Very high | 91.5 | Very high | 24 Ų | 24 | 31 Ų | 31 | 16% | 0.156 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -47.4 | -40.2 | -171.9 | -30.4 | 31.6 | 0 | 0 | 0 | 115.5 | T115 Q116 A302 | P113-T115 PolarHBondContact O-N 2.66Å; P113-Q116 WeakPolarHBondContact O-CB 3.16Å; P113-Q116 PolarHBondContact O-N 2.76Å; P113-A302 WeakPolarHBondContact O-CB 3.46Å |
| 114 | L | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -60.4 | -21.5 | -177.7 | -63.8 | -170.3 | 0 | 0 | 0 | 113.4 | D112 Q116 H117 M242 H247 F250 M251 A301 F305 | D112-L114 PolarHBondContact O-N 3.17Å; L114-Q116 VanDerWaalsContact C-N 3.26Å; L114-Q116 PolarHBondContact O-N 2.91Å; L114-H117 PolarHBondContact O-CD2 3.36Å; L114-M242 HydrophobicContact CB-CG 4.11Å; L114-H247 HydrophobicContact CD1-CB 4.36Å; L114-F250 HydrophobicContact CD1-CB 3.98Å; L114-F250 HydrophobicContact CD1-CD2 4.42Å; L114-F250 HydrophobicContact CD2-CB 4.18Å; L114-M251 HydrophobicContact CD2-SD 4.24Å; L114-A301 HydrophobicContact CD2-CB 3.82Å; L114-F305 HydrophobicContact CB-CD1 4.23Å; L114-F305 HydrophobicContact CB-CG 4.37Å; L114-F305 HydrophobicContact CD1-CB 4.48Å; L114-F305 HydrophobicContact CD1-CD2 4.11Å; L114-F305 HydrophobicContact CD1-CG 4.2Å; L114-F305 HydrophobicContact CD2-CB 4.07Å |
| 115 | T | 92.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -74.1 | -15.7 | 176.2 | 64.3 | 0 | 0 | 0 | 0 | 113.4 | H107 N108 D112 P113 H117 N120 M241 M242 | H107-T115 WeakPolarHBondContact CB-O 3.46Å; N108-T115 PolarHBondContact N-OG1 3.42Å; D112-T115 HydrophobicContact CB-CG2 4.07Å; D112-T115 WeakPolarHBondContact O-CB 3.39Å; D112-T115 PolarHBondContact O-N 3.38Å; D112-T115 PolarHBondContact O-OG1 3.17Å; D112-T115 WeakPolarHBondContact OD2-CG2 3.34Å; P113-T115 PolarHBondContact O-N 2.66Å; T115-H117 PolarHBondContact O-N 2.64Å; T115-N120 WeakPolarHBondContact O-CB 3.47Å; T115-N120 PolarHBondContact O-ND2 2.79Å; T115-M241 HydrophobicContact CG2-CB 4.31Å; T115-M241 HydrophobicContact CG2-CE 4.04Å; T115-M242 HydrophobicContact CG2-CG 4.3Å |
| 116 | Q | 92.5 | Very high | 91.8 | Very high | 20 Ų | 20 | 39.1 Ų | 39.1 | 9% | 0.093 | 19% | 0.19 | C | C | . | . | trans | -83.4 | 47.1 | 179.4 | -165 | 172.7 | -42.1 | 0 | 0 | 112.1 | G109 P113 L114 L121 E299 Q303 | G109-Q116 VanDerWaalsContact CA-OE1 3.23Å; P113-Q116 WeakPolarHBondContact O-CB 3.16Å; P113-Q116 PolarHBondContact O-N 2.76Å; L114-Q116 VanDerWaalsContact C-N 3.26Å; L114-Q116 PolarHBondContact O-N 2.91Å; Q116-L121 HydrophobicContact CG-CD2 3.51Å; Q116-L121 HydrophobicContact CG-CG 4.34Å; Q116-E299 PolarHBondContact NE2-OE1 3.33Å; Q116-Q303 PolarHBondContact O-NE2 3.02Å; Q116-Q303 VanDerWaalsContact O-NE2 3.12Å | ||
| 117 | H | 93.9 | Very high | 92 | Very high | 16 Ų | 16 | 43.2 Ų | 43.2 | 7% | 0.074 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -103.1 | 160.6 | -179.4 | 63.2 | 49.8 | 0 | 0 | 0 | 112.8 | L114 T115 F119 N120 L121 A302 F305 V306 | L114-H117 PolarHBondContact O-CD2 3.36Å; T115-H117 PolarHBondContact O-N 2.64Å; H117-F119 PolarHBondContact ND1-N 2.97Å; H117-F119 PolarHBondContact O-N 3.45Å; H117-N120 PolarHBondContact CE1-ND2 2.96Å; H117-N120 PolarHBondContact ND1-N 3.22Å; H117-N120 PolarHBondContact NE2-ND2 3.48Å; H117-N120 PolarHBondContact O-N 2.99Å; H117-L121 WeakPolarHBondContact O-CG 3.33Å; H117-L121 PolarHBondContact O-N 3.12Å; H117-A302 HydrophobicContact CB-CB 4.04Å; H117-A302 VanDerWaalsContact CB-O 3.23Å; H117-A302 WeakPolarHBondContact CB-O 3.3Å; H117-F305 AromaticContact CD2-CD1 3.88Å; H117-V306 HydrophobicContact CB-CB 3.67Å; H117-V306 HydrophobicContact CB-CG1 3.76Å; H117-V306 HydrophobicContact CB-CG2 4.25Å |
| 118 | L | 95.1 | Very high | 92.1 | Very high | 11 Ų | 11 | 41 Ų | 41 | 6% | 0.058 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.5 | -37.2 | -175.7 | -178.2 | 68.1 | 0 | 0 | 0 | 114.5 | M129 R130 L133 F307 I452 | L118-M129 HydrophobicContact CB-CG 4.3Å; L118-M129 HydrophobicContact CD1-CB 4.03Å; L118-M129 HydrophobicContact CD1-CG 3.88Å; L118-R130 HydrophobicContact CD1-CB 3.92Å; L118-L133 HydrophobicContact CB-CD1 4.29Å; L118-L133 HydrophobicContact CD1-CD1 4.47Å; L118-L133 HydrophobicContact CD2-CD1 4Å; L118-L133 HydrophobicContact CG-CD1 4.48Å; L118-F307 HydrophobicContact CD2-CZ 4.42Å; L118-I452 HydrophobicContact CD2-CB 4.34Å; L118-I452 HydrophobicContact CD2-CD1 3.86Å; L118-I452 HydrophobicContact CD2-CG2 4.02Å |
| 119 | F | 94.5 | Very high | 92.2 | Very high | 95 Ų | 95 | 40.8 Ų | 40.8 | 42% | 0.417 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -36.8 | 179.8 | -178 | -74.6 | 0 | 0 | 0 | 113.6 | R103 H117 V306 | R103-F119 PolarHBondContact NH1-O 3.04Å; H117-F119 PolarHBondContact ND1-N 2.97Å; H117-F119 PolarHBondContact O-N 3.45Å; F119-V306 HydrophobicContact CB-CG2 4.13Å |
| 120 | N | 93.9 | Very high | 92.5 | Very high | 8 Ų | 8 | 41.5 Ų | 41.5 | 4% | 0.043 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -25.9 | -174.8 | -74.3 | -14.2 | 0 | 0 | 0 | 113.7 | Q105 F106 H107 T115 H117 | Q105-N120 HydrophobicContact CB-CB 4.33Å; F106-N120 PolarHBondContact O-ND2 2.81Å; H107-N120 HydrophobicContact CB-CB 4.19Å; H107-N120 PolarHBondContact CD2-O 3.27Å; T115-N120 WeakPolarHBondContact O-CB 3.47Å; T115-N120 PolarHBondContact O-ND2 2.79Å; H117-N120 PolarHBondContact CE1-ND2 2.96Å; H117-N120 PolarHBondContact ND1-N 3.22Å; H117-N120 PolarHBondContact NE2-ND2 3.48Å; H117-N120 PolarHBondContact O-N 2.99Å |
| 121 | L | 94.5 | Very high | 92.7 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | trans | -55.7 | 148.3 | 179.6 | -78.6 | 175 | 0 | 0 | 0 | 111.4 | Q116 H117 K125 W126 M129 R449 | Q116-L121 HydrophobicContact CG-CD2 3.51Å; Q116-L121 HydrophobicContact CG-CG 4.34Å; H117-L121 WeakPolarHBondContact O-CG 3.33Å; H117-L121 PolarHBondContact O-N 3.12Å; L121-K125 HydrophobicContact CD2-CB 4Å; L121-K125 HydrophobicContact CD2-CD 4.23Å; L121-W126 HydrophobicContact CB-CB 3.97Å; L121-W126 WeakPolarHBondContact O-CB 3.32Å; L121-M129 HydrophobicContact CD1-CB 3.96Å; L121-M129 HydrophobicContact CD1-CE 4.45Å; L121-M129 HydrophobicContact CD1-CG 4.06Å; L121-R449 PolarHBondContact O-NH1 2.85Å; L121-R449 PolarHBondContact O-NH2 3.16Å | ||
| 122 | D | 94.5 | Very high | 92.5 | Very high | 30 Ų | 30 | 35.3 Ų | 35.3 | 16% | 0.16 | 17% | 0.168 | C | C | . | . | trans | -130.5 | 169 | 177.1 | -83.5 | -22.8 | 0 | 0 | 0 | 111.5 | D102 R103 G104 W126 R449 | D102-D122 VanDerWaalsContact CA-OD1 3.31Å; D102-D122 WeakPolarHBondContact CA-OD1 3.34Å; D102-D122 HydrophobicContact CB-CB 4.18Å; D102-D122 WeakPolarHBondContact CB-OD1 3.43Å; D102-D122 VanDerWaalsContact CG-CB 3.5Å; D102-D122 WeakPolarHBondContact OD1-CB 3.14Å; R103-D122 PolarHBondContact N-OD1 2.97Å; G104-D122 VanDerWaalsContact CA-OD2 3.25Å; G104-D122 WeakPolarHBondContact CA-OD2 3.34Å; G104-D122 PolarHBondContact N-OD2 2.99Å; D122-W126 PolarHBondContact O-N 3.41Å; D122-R449 IonicContact OD1-CZ 3.25Å; D122-R449 IonicContact OD1-NH1 3.77Å; D122-R449 PolarHBondContact OD1-NH1 3.07Å; D122-R449 IonicContact OD1-NH2 2.75Å; D122-R449 PolarHBondContact OD1-NH2 3.21Å | ||
| 123 | G | 93.9 | Very high | 92.4 | Very high | 35 Ų | 35 | 35.3 Ų | 35.3 | 36% | 0.361 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | 56.8 | -141.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D102 K125 W126 K127 | D102-G123 PolarHBondContact OD1-N 2.96Å; G123-K125 VanDerWaalsContact C-N 3.3Å; G123-K125 PolarHBondContact O-N 3.27Å; G123-W126 PolarHBondContact O-N 3.38Å; G123-K127 PolarHBondContact O-N 3.46Å; G123-K127 VanDerWaalsContact O-N 3.14Å |
| 124 | K | 92.2 | Very high | 92.3 | Very high | 128 Ų | 128 | 37.1 Ų | 37.1 | 56% | 0.557 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -58 | -40.5 | -178.5 | -170.6 | -177.8 | -173 | -57.6 | 0 | 112.4 | W126 K127 D128 | K124-W126 VanDerWaalsContact C-N 3.32Å; K124-W126 PolarHBondContact O-N 3.18Å; K124-K127 PolarHBondContact O-N 3.2Å; K124-K127 VanDerWaalsContact O-N 3.16Å; K124-D128 IonicContact NZ-OD1 3.03Å; K124-D128 PolarHBondContact NZ-OD1 3.11Å; K124-D128 IonicContact NZ-OD2 3.94Å; K124-D128 PolarHBondContact NZ-OD2 3.03Å; K124-D128 WeakPolarHBondContact O-CB 3.35Å; K124-D128 PolarHBondContact O-N 3.38Å |
| 125 | K | 91.3 | Very high | 91.9 | Very high | 112 Ų | 112 | 40.7 Ų | 40.7 | 49% | 0.487 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.8 | -42.4 | 179.8 | -71.1 | -168 | 171.7 | -161.3 | 0 | 111.9 | L121 G123 M129 | L121-K125 HydrophobicContact CD2-CB 4Å; L121-K125 HydrophobicContact CD2-CD 4.23Å; G123-K125 VanDerWaalsContact C-N 3.3Å; G123-K125 PolarHBondContact O-N 3.27Å; K125-M129 VanDerWaalsContact O-CB 3.23Å; K125-M129 WeakPolarHBondContact O-CB 3.39Å; K125-M129 PolarHBondContact O-N 2.89Å |
| 126 | W | 94.9 | Very high | 91.5 | Very high | 16 Ų | 16 | 41.5 Ų | 41.5 | 6% | 0.061 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.7 | -47.7 | 174.3 | 169.7 | 78 | 0 | 0 | 0 | 112 | F97 L121 D122 G123 K124 D128 M129 R130 R449 | F97-W126 AromaticContact CE1-CH2 3.9Å; F97-W126 HydrophobicContact CE1-CH2 3.9Å; F97-W126 AromaticContact CE1-CZ3 3.98Å; F97-W126 HydrophobicContact CE1-CZ3 3.98Å; F97-W126 AromaticContact CZ-CH2 3.44Å; F97-W126 HydrophobicContact CZ-CH2 3.44Å; F97-W126 VanDerWaalsContact CZ-CH2 3.44Å; F97-W126 HydrophobicContact CZ-CZ2 4.31Å; F97-W126 AromaticContact CZ-CZ3 3.74Å; F97-W126 HydrophobicContact CZ-CZ3 3.74Å; L121-W126 HydrophobicContact CB-CB 3.97Å; L121-W126 WeakPolarHBondContact O-CB 3.32Å; D122-W126 PolarHBondContact O-N 3.41Å; G123-W126 PolarHBondContact O-N 3.38Å; K124-W126 VanDerWaalsContact C-N 3.32Å; K124-W126 PolarHBondContact O-N 3.18Å; W126-D128 PolarHBondContact O-N 3.42Å; W126-M129 PolarHBondContact O-N 3.08Å; W126-R130 HydrophobicContact CZ2-CB 4.29Å; W126-R130 HydrophobicContact CZ2-CG 4.17Å; W126-R130 VanDerWaalsContact O-CB 3.3Å; W126-R130 WeakPolarHBondContact O-CB 3.41Å; W126-R130 PolarHBondContact O-N 2.84Å; W126-R449 VanDerWaalsContact CE2-CD 3.45Å; W126-R449 HydrophobicContact CH2-CB 4.09Å; 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 | 93.3 | Very high | 91.2 | Very high | 92 Ų | 92 | 41.5 Ų | 41.5 | 40% | 0.4 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -57.8 | -50.9 | -179.8 | -174.6 | -171.1 | 174.4 | -159.7 | 0 | 110.9 | G123 K124 M129 R130 Q131 E290 | G123-K127 PolarHBondContact O-N 3.46Å; G123-K127 VanDerWaalsContact O-N 3.14Å; K124-K127 PolarHBondContact O-N 3.2Å; K124-K127 VanDerWaalsContact O-N 3.16Å; K127-M129 PolarHBondContact O-N 3.38Å; K127-R130 PolarHBondContact O-N 2.92Å; K127-Q131 WeakPolarHBondContact O-CG 3.2Å; K127-Q131 PolarHBondContact O-N 3.4Å; K127-E290 IonicContact NZ-OE1 2.72Å |
| 128 | D | 90 | Very high | 91 | Very high | 17 Ų | 17 | 43.4 Ų | 43.4 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.6 | -48 | 178.8 | -63.8 | -6.9 | 0 | 0 | 0 | 110.5 | K124 W126 R130 Q131 R132 I292 | K124-D128 IonicContact NZ-OD1 3.03Å; K124-D128 PolarHBondContact NZ-OD1 3.11Å; K124-D128 IonicContact NZ-OD2 3.94Å; K124-D128 PolarHBondContact NZ-OD2 3.03Å; K124-D128 WeakPolarHBondContact O-CB 3.35Å; K124-D128 PolarHBondContact O-N 3.38Å; W126-D128 PolarHBondContact O-N 3.42Å; D128-R130 PolarHBondContact O-N 3Å; D128-Q131 PolarHBondContact O-N 3.48Å; D128-R132 VanDerWaalsContact O-CG 3.28Å; D128-R132 WeakPolarHBondContact O-CG 3.42Å; D128-R132 PolarHBondContact O-N 3.39Å; D128-I292 HydrophobicContact CB-CD1 4.44Å; D128-I292 HydrophobicContact CB-CG2 4.4Å |
| 129 | M | 90.8 | Very high | 90.7 | Very high | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.025 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64 | -41.1 | 179.9 | -171 | 59.7 | 71.9 | 0 | 0 | 111.7 | L118 L121 K125 W126 K127 Q131 R132 L133 M295 Q303 | L118-M129 HydrophobicContact CB-CG 4.3Å; L118-M129 HydrophobicContact CD1-CB 4.03Å; L118-M129 HydrophobicContact CD1-CG 3.88Å; L121-M129 HydrophobicContact CD1-CB 3.96Å; L121-M129 HydrophobicContact CD1-CE 4.45Å; L121-M129 HydrophobicContact CD1-CG 4.06Å; K125-M129 VanDerWaalsContact O-CB 3.23Å; K125-M129 WeakPolarHBondContact O-CB 3.39Å; K125-M129 PolarHBondContact O-N 2.89Å; W126-M129 PolarHBondContact O-N 3.08Å; K127-M129 PolarHBondContact O-N 3.38Å; M129-Q131 VanDerWaalsContact C-N 3.35Å; M129-Q131 PolarHBondContact O-N 3.01Å; M129-R132 PolarHBondContact O-N 3.23Å; M129-L133 HydrophobicContact CG-CD1 3.71Å; M129-L133 HydrophobicContact CG-CG 4.43Å; M129-L133 VanDerWaalsContact O-CG 3.25Å; M129-L133 WeakPolarHBondContact O-CG 3.47Å; M129-L133 PolarHBondContact O-N 3.15Å; M129-L133 VanDerWaalsContact O-N 3.12Å; M129-L133 HydrophobicContact SD-CD1 3.77Å; M129-L133 HydrophobicContact SD-CG 4.09Å; M129-M295 HydrophobicContact CE-CG 4.35Å; M129-M295 HydrophobicContact CE-SD 3.79Å; M129-M295 HydrophobicContact SD-SD 4.07Å; M129-Q303 HydrophobicContact CE-CG 4.3Å; M129-Q303 HydrophobicContact SD-CG 3.92Å |
| 130 | R | 93.4 | Very high | 90.3 | Very high | 36 Ų | 36 | 43.9 Ų | 43.9 | 14% | 0.136 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.9 | -44.1 | 176.9 | -177.4 | 59.1 | -178.8 | -134 | -2.8 | 111.1 | L118 W126 K127 D128 L133 T134 N450 | L118-R130 HydrophobicContact CD1-CB 3.92Å; W126-R130 HydrophobicContact CZ2-CB 4.29Å; W126-R130 HydrophobicContact CZ2-CG 4.17Å; W126-R130 VanDerWaalsContact O-CB 3.3Å; W126-R130 WeakPolarHBondContact O-CB 3.41Å; W126-R130 PolarHBondContact O-N 2.84Å; K127-R130 PolarHBondContact O-N 2.92Å; D128-R130 PolarHBondContact O-N 3Å; R130-L133 PolarHBondContact O-N 3.39Å; R130-T134 WeakPolarHBondContact O-CB 3.36Å; R130-T134 PolarHBondContact O-N 2.84Å; R130-T134 PolarHBondContact O-OG1 3.02Å; R130-N450 PolarHBondContact NH1-O 3.12Å; R130-N450 PolarHBondContact NH2-O 3.34Å; R130-N450 PolarHBondContact NH2-OD1 3.05Å |
| 131 | Q | 89.7 | Confident | 90 | Very high | 58 Ų | 58 | 48.4 Ų | 48.4 | 27% | 0.271 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 177.1 | -74.5 | 172.2 | -30.5 | 0 | 0 | 111.5 | K127 D128 M129 L133 P135 L286 | K127-Q131 WeakPolarHBondContact O-CG 3.2Å; K127-Q131 PolarHBondContact O-N 3.4Å; D128-Q131 PolarHBondContact O-N 3.48Å; M129-Q131 VanDerWaalsContact C-N 3.35Å; M129-Q131 PolarHBondContact O-N 3.01Å; Q131-L133 VanDerWaalsContact C-N 3.31Å; Q131-L133 PolarHBondContact O-N 2.97Å; Q131-P135 VanDerWaalsContact O-CD 3.26Å; Q131-P135 WeakPolarHBondContact O-CD 3.19Å; Q131-L286 HydrophobicContact CB-CD1 4.38Å |
| 132 | R | 84.6 | Confident | 89.8 | Confident | 34 Ų | 34 | 48.4 Ų | 48.4 | 13% | 0.128 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.7 | -38.5 | 177.6 | -69.9 | 176.5 | -146.6 | -158.4 | 0.3 | 113.4 | D128 M129 L278 E293 | D128-R132 VanDerWaalsContact O-CG 3.28Å; D128-R132 WeakPolarHBondContact O-CG 3.42Å; D128-R132 PolarHBondContact O-N 3.39Å; M129-R132 PolarHBondContact O-N 3.23Å; R132-L278 HydrophobicContact CB-CD1 4.15Å; R132-E293 PolarHBondContact NH1-O 3.46Å; R132-E293 PolarHBondContact NH2-O 3.02Å |
| 133 | L | 88.4 | Confident | 89.5 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -94.4 | -18.9 | -171 | -60.1 | 171.4 | 0 | 0 | 0 | 113.8 | L118 M129 R130 Q131 P135 T136 F137 F271 L275 Q303 F307 I452 | L118-L133 HydrophobicContact CB-CD1 4.29Å; L118-L133 HydrophobicContact CD1-CD1 4.47Å; L118-L133 HydrophobicContact CD2-CD1 4Å; L118-L133 HydrophobicContact CG-CD1 4.48Å; M129-L133 HydrophobicContact CG-CD1 3.71Å; M129-L133 HydrophobicContact CG-CG 4.43Å; M129-L133 VanDerWaalsContact O-CG 3.25Å; M129-L133 WeakPolarHBondContact O-CG 3.47Å; M129-L133 PolarHBondContact O-N 3.15Å; M129-L133 VanDerWaalsContact O-N 3.12Å; M129-L133 HydrophobicContact SD-CD1 3.77Å; M129-L133 HydrophobicContact SD-CG 4.09Å; R130-L133 PolarHBondContact O-N 3.39Å; Q131-L133 VanDerWaalsContact C-N 3.31Å; Q131-L133 PolarHBondContact O-N 2.97Å; L133-P135 VanDerWaalsContact C-CD 3.47Å; L133-T136 WeakPolarHBondContact O-CB 3.36Å; L133-T136 PolarHBondContact O-N 3.45Å; L133-T136 PolarHBondContact O-OG1 3.37Å; L133-T136 VanDerWaalsContact O-OG1 3.12Å; L133-F137 WeakPolarHBondContact O-CD2 3.4Å; L133-F271 HydrophobicContact CD2-CE2 3.68Å; L133-F271 HydrophobicContact CD2-CZ 3.84Å; L133-L275 HydrophobicContact CD2-CD2 3.82Å; L133-Q303 HydrophobicContact CD1-CG 4.43Å; L133-F307 HydrophobicContact CD1-CE2 3.8Å; L133-F307 HydrophobicContact CD1-CZ 4.04Å; L133-I452 HydrophobicContact CB-CD1 3.72Å |
| 134 | T | 89.8 | Confident | 89.2 | Confident | 63 Ų | 63 | 56 Ų | 56 | 39% | 0.387 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -57.8 | -40 | -179 | -66.3 | 0 | 0 | 0 | 0 | 113.6 | R130 T136 F137 | R130-T134 WeakPolarHBondContact O-CB 3.36Å; R130-T134 PolarHBondContact O-N 2.84Å; R130-T134 PolarHBondContact O-OG1 3.02Å; T134-T136 PolarHBondContact O-N 3.4Å; T134-T136 VanDerWaalsContact O-N 3.13Å; T134-F137 PolarHBondContact O-N 3.05Å |
| 135 | P | 86 | Confident | 89 | Confident | 74 Ų | 74 | 51.1 Ų | 51.1 | 48% | 0.481 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -57.6 | -26.7 | 178.4 | -28.4 | 36.8 | 0 | 0 | 0 | 115 | Q131 L133 F137 T138 | Q131-P135 VanDerWaalsContact O-CD 3.26Å; Q131-P135 WeakPolarHBondContact O-CD 3.19Å; L133-P135 VanDerWaalsContact C-CD 3.47Å; P135-F137 VanDerWaalsContact C-N 3.27Å; P135-F137 PolarHBondContact O-N 3.18Å; P135-T138 WeakPolarHBondContact O-CG2 3.49Å; P135-T138 PolarHBondContact O-OG1 2.77Å; P135-T138 VanDerWaalsContact O-OG1 3.06Å |
| 136 | T | 83.8 | Confident | 89 | Confident | 18 Ų | 18 | 46.5 Ų | 46.5 | 11% | 0.11 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -63.5 | -32.3 | 176.7 | -44.6 | 0 | 0 | 0 | 0 | 112.5 | L133 T134 K141 M142 F271 L274 | L133-T136 WeakPolarHBondContact O-CB 3.36Å; L133-T136 PolarHBondContact O-N 3.45Å; L133-T136 PolarHBondContact O-OG1 3.37Å; L133-T136 VanDerWaalsContact O-OG1 3.12Å; T134-T136 PolarHBondContact O-N 3.4Å; T134-T136 VanDerWaalsContact O-N 3.13Å; T136-K141 WeakPolarHBondContact O-CB 3.34Å; T136-M142 WeakPolarHBondContact O-CE 3.15Å; T136-F271 HydrophobicContact CG2-CB 4.47Å; T136-F271 HydrophobicContact CG2-CD2 3.57Å; T136-F271 HydrophobicContact CG2-CE2 4.26Å; T136-F271 HydrophobicContact CG2-CG 4.44Å; T136-L274 WeakPolarHBondContact OG1-CD2 3.5Å |
| 137 | F | 87.4 | Confident | 88.8 | Confident | 20 Ų | 20 | 49.8 Ų | 49.8 | 9% | 0.088 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -102.8 | 23.4 | -171 | -61.7 | -80.2 | 0 | 0 | 0 | 113 | L133 T134 P135 M142 F307 I452 R455 F456 | L133-F137 WeakPolarHBondContact O-CD2 3.4Å; T134-F137 PolarHBondContact O-N 3.05Å; P135-F137 VanDerWaalsContact C-N 3.27Å; P135-F137 PolarHBondContact O-N 3.18Å; F137-M142 HydrophobicContact CD1-CE 4.26Å; F137-F307 HydrophobicContact CE1-CE1 4.29Å; F137-F307 HydrophobicContact CE2-CD1 4.28Å; F137-F307 AromaticContact CE2-CE1 3.39Å; F137-F307 HydrophobicContact CE2-CE1 3.39Å; F137-F307 AromaticContact CE2-CZ 3.77Å; F137-F307 HydrophobicContact CE2-CZ 3.77Å; F137-F307 AromaticContact CZ-CD1 3.67Å; F137-F307 HydrophobicContact CZ-CD1 3.67Å; F137-F307 AromaticContact CZ-CE1 3.19Å; F137-F307 HydrophobicContact CZ-CE1 3.19Å; F137-F307 HydrophobicContact CZ-CZ 4.02Å; F137-I452 WeakPolarHBondContact CB-O 3.25Å; F137-I452 HydrophobicContact CD2-CD1 3.86Å; F137-I452 HydrophobicContact CD2-CG1 3.65Å; F137-I452 HydrophobicContact CD2-CG2 4.41Å; F137-I452 HydrophobicContact CE2-CD1 4.13Å; F137-I452 HydrophobicContact CE2-CG1 4.2Å; F137-I452 HydrophobicContact CE2-CG2 4.22Å; F137-I452 HydrophobicContact CG-CG1 4.3Å; F137-I452 WeakPolarHBondContact CG-O 3.31Å; F137-R455 PolarHBondContact O-NH1 3.43Å; F137-F456 HydrophobicContact CD1-CB 4.27Å; F137-F456 HydrophobicContact CE1-CB 4.32Å |
| 138 | T | 88.9 | Confident | 88.7 | Confident | 57 Ų | 57 | 47.6 Ų | 47.6 | 35% | 0.35 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -75 | 155.3 | 174.5 | 57.7 | 0 | 0 | 0 | 0 | 111.4 | P135 G140 K141 M142 | P135-T138 WeakPolarHBondContact O-CG2 3.49Å; P135-T138 PolarHBondContact O-OG1 2.77Å; P135-T138 VanDerWaalsContact O-OG1 3.06Å; T138-G140 PolarHBondContact O-N 3.28Å; T138-K141 PolarHBondContact O-N 3.01Å; T138-K141 VanDerWaalsContact O-N 3.09Å; T138-K141 WeakPolarHBondContact OG1-CG 3.07Å; T138-K141 PolarHBondContact OG1-N 2.88Å; T138-M142 WeakPolarHBondContact O-CG 3.32Å; T138-M142 PolarHBondContact O-N 3.26Å |
| 139 | S | 87.9 | Confident | 88.8 | Confident | 62 Ų | 62 | 46.8 Ų | 46.8 | 43% | 0.434 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.7 | -36.9 | 178.3 | -51.4 | 0 | 0 | 0 | 0 | 112.5 | M142 K143 | S139-M142 PolarHBondContact O-N 2.86Å; S139-K143 PolarHBondContact O-N 3.06Å |
| 140 | G | 87.8 | Confident | 89 | Confident | 54 Ų | 54 | 47.7 Ų | 47.7 | 56% | 0.557 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -62.8 | -42.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T138 K143 F144 | T138-G140 PolarHBondContact O-N 3.28Å; G140-K143 PolarHBondContact O-N 2.9Å; G140-F144 WeakPolarHBondContact O-CB 3.45Å; G140-F144 PolarHBondContact O-N 3.07Å |
| 141 | K | 86.4 | Confident | 89 | Confident | 103 Ų | 103 | 52.5 Ų | 52.5 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.4 | -33.5 | 175 | -69.2 | -64.3 | -175.5 | 180 | 0 | 112.7 | T136 T138 F144 M145 | T136-K141 WeakPolarHBondContact O-CB 3.34Å; T138-K141 PolarHBondContact O-N 3.01Å; T138-K141 VanDerWaalsContact O-N 3.09Å; T138-K141 WeakPolarHBondContact OG1-CG 3.07Å; T138-K141 PolarHBondContact OG1-N 2.88Å; K141-F144 PolarHBondContact O-N 3.36Å; K141-M145 WeakPolarHBondContact O-CG 3.26Å; K141-M145 PolarHBondContact O-N 2.64Å |
| 142 | M | 90.3 | Very high | 89.2 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.8 | -49 | 172.7 | -62.9 | -53.3 | 94.8 | 0 | 0 | 110.9 | T136 F137 T138 S139 F144 M145 F146 Y353 R455 F456 M459 | T136-M142 WeakPolarHBondContact O-CE 3.15Å; F137-M142 HydrophobicContact CD1-CE 4.26Å; T138-M142 WeakPolarHBondContact O-CG 3.32Å; T138-M142 PolarHBondContact O-N 3.26Å; S139-M142 PolarHBondContact O-N 2.86Å; M142-F144 VanDerWaalsContact C-N 3.25Å; M142-F144 PolarHBondContact O-N 3.09Å; M142-M145 HydrophobicContact CE-CE 3.13Å; M142-M145 PolarHBondContact O-N 3.02Å; M142-M145 VanDerWaalsContact O-N 3.15Å; M142-M145 HydrophobicContact SD-CE 4.02Å; M142-F146 PolarHBondContact O-N 2.7Å; M142-Y353 HydrophobicContact CB-CE2 4.12Å; M142-R455 HydrophobicContact CG-CB 4.09Å; M142-R455 HydrophobicContact SD-CB 4.25Å; M142-F456 HydrophobicContact SD-CB 3.88Å; M142-F456 HydrophobicContact SD-CD2 4.22Å; M142-M459 HydrophobicContact CB-CE 4.49Å; M142-M459 HydrophobicContact CB-SD 4.22Å; M142-M459 HydrophobicContact SD-CE 4.09Å |
| 143 | K | 89.1 | Confident | 89.7 | Confident | 113 Ų | 113 | 48.8 Ų | 48.8 | 49% | 0.491 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.9 | -37 | 176.8 | -171.5 | 166.2 | -175.7 | 159 | 0 | 112 | S139 G140 F146 Y353 E354 | S139-K143 PolarHBondContact O-N 3.06Å; G140-K143 PolarHBondContact O-N 2.9Å; K143-F146 VanDerWaalsContact O-CB 3.29Å; K143-F146 WeakPolarHBondContact O-CB 3.34Å; K143-F146 PolarHBondContact O-N 3.32Å; K143-Y353 HydrophobicContact CB-CD2 4.24Å; K143-Y353 HydrophobicContact CB-CE2 4.28Å; K143-Y353 HydrophobicContact CB-CG 4.44Å; K143-Y353 HydrophobicContact CD-CD1 4.38Å; K143-Y353 HydrophobicContact CG-CD2 4.45Å; K143-Y353 HydrophobicContact CG-CG 4.23Å; K143-E354 IonicContact NZ-OE1 2.83Å; K143-E354 PolarHBondContact NZ-OE1 2.76Å |
| 144 | F | 86.6 | Confident | 90 | Very high | 113 Ų | 113 | 53.4 Ų | 53.4 | 50% | 0.496 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.2 | -39.9 | 175.1 | -178.5 | -94.8 | 0 | 0 | 0 | 113.3 | G140 K141 M142 F146 P147 N269 | G140-F144 WeakPolarHBondContact O-CB 3.45Å; G140-F144 PolarHBondContact O-N 3.07Å; K141-F144 PolarHBondContact O-N 3.36Å; M142-F144 VanDerWaalsContact C-N 3.25Å; M142-F144 PolarHBondContact O-N 3.09Å; F144-F146 VanDerWaalsContact C-N 3.3Å; F144-P147 WeakPolarHBondContact O-CD 3.22Å; F144-N269 HydrophobicContact CE1-CB 3.62Å; F144-N269 HydrophobicContact CZ-CB 3.75Å |
| 145 | M | 88.8 | Confident | 90.3 | Very high | 24 Ų | 24 | 53 Ų | 53 | 12% | 0.118 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -75.9 | -19.1 | 177.2 | -71.9 | -173.3 | -71.8 | 0 | 0 | 113.3 | K141 M142 P147 T148 V149 C190 F456 | K141-M145 WeakPolarHBondContact O-CG 3.26Å; K141-M145 PolarHBondContact O-N 2.64Å; M142-M145 HydrophobicContact CE-CE 3.13Å; M142-M145 PolarHBondContact O-N 3.02Å; M142-M145 VanDerWaalsContact O-N 3.15Å; M142-M145 HydrophobicContact SD-CE 4.02Å; M145-P147 VanDerWaalsContact C-CD 3.48Å; M145-T148 WeakPolarHBondContact O-CB 3.31Å; M145-T148 PolarHBondContact O-N 3.43Å; M145-V149 PolarHBondContact O-N 3.06Å; M145-V149 VanDerWaalsContact O-N 3.17Å; M145-C190 HydrophobicContact SD-CB 4.23Å; M145-F456 HydrophobicContact CE-CD2 4.14Å; M145-F456 HydrophobicContact CE-CE2 4.48Å |
| 146 | F | 90.8 | Very high | 90.8 | Very high | 15 Ų | 15 | 49.5 Ų | 49.5 | 7% | 0.066 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -50.7 | -43.8 | -172.6 | -170.1 | -92.8 | 0 | 0 | 0 | 114.7 | M142 K143 F144 T148 V149 I150 L351 T352 Y353 I356 M459 I463 | M142-F146 PolarHBondContact O-N 2.7Å; K143-F146 VanDerWaalsContact O-CB 3.29Å; K143-F146 WeakPolarHBondContact O-CB 3.34Å; K143-F146 PolarHBondContact O-N 3.32Å; F144-F146 VanDerWaalsContact C-N 3.3Å; F146-T148 VanDerWaalsContact C-N 3.28Å; F146-T148 PolarHBondContact O-N 3.47Å; F146-V149 WeakPolarHBondContact O-CB 3.47Å; F146-V149 PolarHBondContact O-N 3.2Å; F146-V149 VanDerWaalsContact O-N 3.13Å; F146-I150 HydrophobicContact CD1-CG1 3.82Å; F146-I150 HydrophobicContact CE1-CD1 3.79Å; F146-I150 HydrophobicContact CE1-CG1 3.4Å; F146-I150 VanDerWaalsContact CE1-CG1 3.4Å; F146-I150 HydrophobicContact CE2-CD1 4.41Å; F146-I150 HydrophobicContact CZ-CD1 3.69Å; F146-I150 HydrophobicContact CZ-CG1 3.84Å; F146-I150 WeakPolarHBondContact O-CG1 3.47Å; F146-I150 PolarHBondContact O-N 3.46Å; F146-L351 WeakPolarHBondContact CE1-O 3.48Å; F146-L351 WeakPolarHBondContact CZ-O 3.24Å; F146-T352 VanDerWaalsContact CE1-C 3.43Å; F146-T352 WeakPolarHBondContact CZ-O 3.48Å; F146-Y353 HydrophobicContact CB-CD2 4.27Å; F146-Y353 AromaticContact CD2-CD2 3.61Å; F146-Y353 HydrophobicContact CD2-CD2 3.61Å; F146-Y353 HydrophobicContact CD2-CG 4.37Å; F146-Y353 VanDerWaalsContact CE1-N 3.28Å; F146-Y353 HydrophobicContact CE2-CD2 4.14Å; F146-Y353 HydrophobicContact CG-CD2 4.05Å; F146-Y353 VanDerWaalsContact CZ-N 3.26Å; F146-I356 HydrophobicContact CE2-CG1 4.15Å; F146-I356 HydrophobicContact CZ-CG1 4.22Å; F146-M459 HydrophobicContact CD2-CG 4.44Å; F146-M459 HydrophobicContact CD2-SD 3.93Å; F146-I463 HydrophobicContact CD2-CD1 4.09Å; F146-I463 HydrophobicContact CE2-CD1 3.61Å; F146-I463 HydrophobicContact CE2-CG1 4.34Å; F146-I463 HydrophobicContact CZ-CD1 4.32Å |
| 147 | P | 91.3 | Very high | 91.3 | Very high | 85 Ų | 85 | 49.3 Ų | 49.3 | 55% | 0.552 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -61.4 | -34.6 | 177 | -23.6 | 35.4 | 0 | 0 | 0 | 113.7 | F144 M145 I150 K151 | F144-P147 WeakPolarHBondContact O-CD 3.22Å; M145-P147 VanDerWaalsContact C-CD 3.48Å; P147-I150 PolarHBondContact O-N 3.4Å; P147-K151 PolarHBondContact O-N 3.36Å |
| 148 | T | 90.6 | Very high | 91.7 | Very high | 46 Ų | 46 | 53.4 Ų | 53.4 | 28% | 0.282 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.4 | -41.4 | 176.3 | -57.8 | 0 | 0 | 0 | 0 | 110.6 | M145 F146 K151 V152 T189 | M145-T148 WeakPolarHBondContact O-CB 3.31Å; M145-T148 PolarHBondContact O-N 3.43Å; F146-T148 VanDerWaalsContact C-N 3.28Å; F146-T148 PolarHBondContact O-N 3.47Å; T148-K151 PolarHBondContact O-N 2.96Å; T148-V152 WeakPolarHBondContact O-CG2 3.31Å; T148-V152 PolarHBondContact O-N 3.49Å; T148-V152 VanDerWaalsContact O-N 3.15Å; T148-T189 HydrophobicContact CG2-CG2 3.45Å; T148-T189 VanDerWaalsContact CG2-CG2 3.45Å |
| 149 | V | 92.6 | Very high | 92 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 175.8 | 178 | 0 | 0 | 0 | 0 | 110.1 | M145 F146 K151 V152 S153 M186 C190 M459 I463 | M145-V149 PolarHBondContact O-N 3.06Å; M145-V149 VanDerWaalsContact O-N 3.17Å; F146-V149 WeakPolarHBondContact O-CB 3.47Å; F146-V149 PolarHBondContact O-N 3.2Å; F146-V149 VanDerWaalsContact O-N 3.13Å; V149-K151 PolarHBondContact O-N 3.49Å; V149-V152 PolarHBondContact O-N 2.99Å; V149-S153 WeakPolarHBondContact O-CB 3.45Å; V149-S153 PolarHBondContact O-N 3.3Å; V149-M186 HydrophobicContact CB-CE 4.27Å; V149-M186 HydrophobicContact CB-SD 4.06Å; V149-M186 HydrophobicContact CG1-CE 3.49Å; V149-M186 VanDerWaalsContact CG1-CE 3.49Å; V149-M186 HydrophobicContact CG1-SD 3.66Å; V149-M186 HydrophobicContact CG2-SD 4.24Å; V149-M186 WeakPolarHBondContact O-CE 3.48Å; V149-C190 VanDerWaalsContact CG2-SG 3.58Å; V149-M459 HydrophobicContact CG2-CE 3.9Å; V149-I463 HydrophobicContact CB-CD1 4.39Å; V149-I463 HydrophobicContact CG1-CD1 3.35Å |
| 150 | I | 94.5 | Very high | 92.3 | Very high | 24 Ų | 24 | 48 Ų | 48 | 12% | 0.123 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60 | -46.3 | 176.4 | -67.2 | -57.8 | 0 | 0 | 0 | 111.7 | F146 P147 V152 S153 E154 L351 I463 | F146-I150 HydrophobicContact CD1-CG1 3.82Å; F146-I150 HydrophobicContact CE1-CD1 3.79Å; F146-I150 HydrophobicContact CE1-CG1 3.4Å; F146-I150 VanDerWaalsContact CE1-CG1 3.4Å; F146-I150 HydrophobicContact CE2-CD1 4.41Å; F146-I150 HydrophobicContact CZ-CD1 3.69Å; F146-I150 HydrophobicContact CZ-CG1 3.84Å; F146-I150 WeakPolarHBondContact O-CG1 3.47Å; F146-I150 PolarHBondContact O-N 3.46Å; P147-I150 PolarHBondContact O-N 3.4Å; I150-V152 VanDerWaalsContact C-N 3.33Å; I150-V152 PolarHBondContact O-N 2.96Å; I150-S153 WeakPolarHBondContact CA-OG 3.41Å; I150-S153 CarbonylContact O-C 3.53Å; I150-S153 WeakPolarHBondContact O-CA 3.45Å; I150-S153 WeakPolarHBondContact O-CB 3.44Å; I150-S153 PolarHBondContact O-N 3.46Å; I150-S153 PolarHBondContact O-OG 3.05Å; I150-E154 HydrophobicContact CG2-CG 4.28Å; I150-E154 WeakPolarHBondContact O-CG 3.3Å; I150-E154 PolarHBondContact O-N 3.34Å; I150-L351 HydrophobicContact CD1-CB 3.8Å; I150-L351 WeakPolarHBondContact CD1-O 3.45Å; I150-I463 HydrophobicContact CD1-CD1 4.32Å; I150-I463 HydrophobicContact CD1-CG2 4.18Å |
| 151 | K | 93.4 | Very high | 92.6 | Very high | 138 Ų | 138 | 47.5 Ų | 47.5 | 60% | 0.6 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -55.2 | -45.3 | 177 | -174.3 | -175.9 | 177.7 | -169.9 | 0 | 112.6 | P147 T148 V149 S153 E154 E155 | P147-K151 PolarHBondContact O-N 3.36Å; T148-K151 PolarHBondContact O-N 2.96Å; V149-K151 PolarHBondContact O-N 3.49Å; K151-S153 VanDerWaalsContact C-N 3.3Å; K151-S153 PolarHBondContact O-N 2.68Å; K151-E154 PolarHBondContact O-N 3.32Å; K151-E155 PolarHBondContact O-N 2.89Å |
| 152 | V | 94.6 | Very high | 92.9 | Very high | 13 Ų | 13 | 48.2 Ų | 48.2 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.5 | -37.1 | 176.3 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | T148 V149 I150 E155 F156 F182 D185 M186 T189 | T148-V152 WeakPolarHBondContact O-CG2 3.31Å; T148-V152 PolarHBondContact O-N 3.49Å; T148-V152 VanDerWaalsContact O-N 3.15Å; V149-V152 PolarHBondContact O-N 2.99Å; I150-V152 VanDerWaalsContact C-N 3.33Å; I150-V152 PolarHBondContact O-N 2.96Å; V152-E155 PolarHBondContact O-N 2.96Å; V152-F156 WeakPolarHBondContact O-CB 3.41Å; V152-F156 PolarHBondContact O-N 3.02Å; V152-F182 HydrophobicContact CG1-CD2 4.28Å; V152-F182 HydrophobicContact CG1-CE2 4.29Å; V152-D185 HydrophobicContact CG1-CB 3.94Å; V152-M186 HydrophobicContact CB-CE 3.88Å; V152-M186 HydrophobicContact CB-CG 4.5Å; V152-M186 HydrophobicContact CB-SD 3.8Å; V152-M186 HydrophobicContact CG1-CE 3.96Å; V152-M186 HydrophobicContact CG1-CG 3.9Å; V152-M186 HydrophobicContact CG1-SD 3.87Å; V152-M186 HydrophobicContact CG2-SD 4.39Å; V152-T189 HydrophobicContact CG2-CG2 4.34Å |
| 153 | S | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.1 | -32.3 | 178.1 | 84.4 | 0 | 0 | 0 | 0 | 114.2 | V149 I150 K151 F156 V157 Q467 | V149-S153 WeakPolarHBondContact O-CB 3.45Å; V149-S153 PolarHBondContact O-N 3.3Å; I150-S153 WeakPolarHBondContact CA-OG 3.41Å; I150-S153 CarbonylContact O-C 3.53Å; I150-S153 WeakPolarHBondContact O-CA 3.45Å; I150-S153 WeakPolarHBondContact O-CB 3.44Å; I150-S153 PolarHBondContact O-N 3.46Å; I150-S153 PolarHBondContact O-OG 3.05Å; K151-S153 VanDerWaalsContact C-N 3.3Å; K151-S153 PolarHBondContact O-N 2.68Å; S153-F156 WeakPolarHBondContact O-CB 3.41Å; S153-F156 PolarHBondContact O-N 3.1Å; S153-V157 WeakPolarHBondContact O-CG2 3.28Å; S153-V157 PolarHBondContact O-N 2.95Å; S153-Q467 PolarHBondContact OG-NE2 2.78Å |
| 154 | E | 94.6 | Very high | 93.1 | Very high | 98 Ų | 98 | 46.6 Ų | 46.6 | 46% | 0.458 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.2 | -42.4 | 173.4 | -70.3 | 170.9 | 170.8 | 0 | 0 | 110.9 | I150 K151 F156 V157 K158 | I150-E154 HydrophobicContact CG2-CG 4.28Å; I150-E154 WeakPolarHBondContact O-CG 3.3Å; I150-E154 PolarHBondContact O-N 3.34Å; K151-E154 PolarHBondContact O-N 3.32Å; E154-F156 VanDerWaalsContact C-N 3.28Å; E154-F156 PolarHBondContact O-N 3.23Å; E154-V157 PolarHBondContact O-N 3.23Å; E154-K158 WeakPolarHBondContact O-CG 3.5Å; E154-K158 PolarHBondContact O-N 2.85Å |
| 155 | E | 95.4 | Very high | 93 | Very high | 54 Ų | 54 | 44.2 Ų | 44.2 | 25% | 0.252 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.9 | -39.6 | 175.2 | -168.7 | 58.7 | -159.4 | 0 | 0 | 111.7 | K151 V152 K158 V159 R200 | K151-E155 PolarHBondContact O-N 2.89Å; V152-E155 PolarHBondContact O-N 2.96Å; E155-K158 WeakPolarHBondContact O-CB 3.08Å; E155-K158 PolarHBondContact O-N 3.46Å; E155-K158 IonicContact OE2-NZ 3.04Å; E155-V159 WeakPolarHBondContact O-CG2 3.47Å; E155-V159 PolarHBondContact O-N 2.89Å; E155-R200 IonicContact OE1-CZ 3.74Å; E155-R200 IonicContact OE1-NE 2.92Å; E155-R200 PolarHBondContact OE1-NE 2.97Å; E155-R200 IonicContact OE1-NH2 3.52Å; E155-R200 PolarHBondContact OE1-NH2 2.94Å |
| 156 | F | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.2 | -47.3 | 173.1 | 173.1 | -123.1 | 0 | 0 | 0 | 112.8 | V152 S153 E154 K158 V159 I160 L178 M179 F182 L199 I468 | V152-F156 WeakPolarHBondContact O-CB 3.41Å; V152-F156 PolarHBondContact O-N 3.02Å; S153-F156 WeakPolarHBondContact O-CB 3.41Å; S153-F156 PolarHBondContact O-N 3.1Å; E154-F156 VanDerWaalsContact C-N 3.28Å; E154-F156 PolarHBondContact O-N 3.23Å; F156-K158 VanDerWaalsContact C-N 3.34Å; F156-K158 PolarHBondContact O-N 3.09Å; F156-V159 PolarHBondContact O-N 3.49Å; F156-I160 HydrophobicContact CD1-CD1 4.36Å; F156-I160 HydrophobicContact CD2-CD1 4.11Å; F156-I160 HydrophobicContact CD2-CG1 4.38Å; F156-I160 HydrophobicContact CE1-CD1 3.8Å; F156-I160 HydrophobicContact CE2-CD1 3.53Å; F156-I160 HydrophobicContact CE2-CG1 4.05Å; F156-I160 HydrophobicContact CG-CD1 4.5Å; F156-I160 HydrophobicContact CZ-CD1 3.35Å; F156-I160 HydrophobicContact CZ-CG1 4.36Å; F156-I160 WeakPolarHBondContact O-CG1 3.48Å; F156-I160 PolarHBondContact O-N 2.75Å; F156-L178 HydrophobicContact CD2-CD1 4.42Å; F156-L178 HydrophobicContact CE2-CD1 3.82Å; F156-L178 HydrophobicContact CE2-CD2 4.32Å; F156-L178 HydrophobicContact CE2-CG 3.8Å; F156-L178 HydrophobicContact CZ-CG 4.47Å; F156-M179 HydrophobicContact CE2-CE 3.87Å; F156-M179 HydrophobicContact CZ-CE 3.4Å; F156-M179 HydrophobicContact CZ-SD 4.23Å; F156-F182 HydrophobicContact CB-CD2 3.61Å; F156-F182 HydrophobicContact CB-CE2 3.88Å; F156-F182 AromaticContact CD1-CD2 3.82Å; F156-F182 HydrophobicContact CD1-CD2 3.82Å; F156-F182 AromaticContact CD1-CE2 3.85Å; F156-F182 HydrophobicContact CD1-CE2 3.85Å; F156-F182 HydrophobicContact CD1-CG 4.18Å; F156-F182 HydrophobicContact CD1-CZ 4.28Å; F156-F182 HydrophobicContact CD2-CB 3.85Å; F156-F182 AromaticContact CD2-CD2 3.91Å; F156-F182 HydrophobicContact CD2-CD2 3.91Å; F156-F182 HydrophobicContact CD2-CG 4.03Å; F156-F182 HydrophobicContact CE1-CD1 4.5Å; F156-F182 HydrophobicContact CE1-CD2 4.44Å; F156-F182 HydrophobicContact CE1-CG 4.36Å; F156-F182 HydrophobicContact CE2-CB 3.88Å; F156-F182 HydrophobicContact CE2-CG 4.2Å; F156-F182 HydrophobicContact CG-CB 4.31Å; F156-F182 AromaticContact CG-CD2 3.51Å; F156-F182 HydrophobicContact CG-CD2 3.51Å; F156-F182 AromaticContact CG-CE2 3.92Å; F156-F182 HydrophobicContact CG-CE2 3.92Å; F156-F182 AromaticContact CG-CG 4Å; F156-F182 HydrophobicContact CG-CG 4Å; F156-F182 HydrophobicContact CZ-CB 4.4Å; F156-F182 HydrophobicContact CZ-CG 4.36Å; F156-L199 HydrophobicContact CB-CD1 3.98Å; F156-L199 HydrophobicContact CD2-CD2 3.69Å; F156-L199 HydrophobicContact CE2-CD2 4.43Å; F156-I468 HydrophobicContact CE1-CD1 3.86Å; F156-I468 HydrophobicContact CE1-CG1 3.77Å; F156-I468 HydrophobicContact CZ-CD1 3.8Å; F156-I468 HydrophobicContact CZ-CG1 4.06Å |
| 157 | V | 95.3 | Very high | 91.7 | Very high | 15 Ų | 15 | 49.6 Ų | 49.6 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 175.5 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | S153 E154 V159 I160 T161 Q467 | S153-V157 WeakPolarHBondContact O-CG2 3.28Å; S153-V157 PolarHBondContact O-N 2.95Å; E154-V157 PolarHBondContact O-N 3.23Å; V157-V159 PolarHBondContact O-N 3.42Å; V157-I160 PolarHBondContact O-N 2.87Å; V157-T161 VanDerWaalsContact O-CB 3.31Å; V157-T161 WeakPolarHBondContact O-CB 3.27Å; V157-T161 PolarHBondContact O-N 2.96Å; V157-T161 PolarHBondContact O-OG1 3.24Å; V157-Q467 HydrophobicContact CG2-CB 3.7Å; V157-Q467 HydrophobicContact CG2-CG 4.12Å |
| 158 | K | 95.5 | Very high | 90.5 | Very high | 105 Ų | 105 | 54.5 Ų | 54.5 | 46% | 0.457 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.4 | -47 | 176.7 | -69.9 | 172.7 | -164.9 | 166.7 | 0 | 111.3 | E154 E155 F156 I160 T161 E162 | E154-K158 WeakPolarHBondContact O-CG 3.5Å; E154-K158 PolarHBondContact O-N 2.85Å; E155-K158 WeakPolarHBondContact O-CB 3.08Å; E155-K158 PolarHBondContact O-N 3.46Å; E155-K158 IonicContact OE2-NZ 3.04Å; F156-K158 VanDerWaalsContact C-N 3.34Å; F156-K158 PolarHBondContact O-N 3.09Å; K158-I160 PolarHBondContact O-N 3.5Å; K158-T161 WeakPolarHBondContact O-CB 3.43Å; K158-T161 PolarHBondContact O-N 3.43Å; K158-E162 VanDerWaalsContact O-CG 3.3Å; K158-E162 WeakPolarHBondContact O-CG 3.25Å; K158-E162 PolarHBondContact O-N 2.88Å |
| 159 | V | 94.8 | Very high | 89.9 | Confident | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 179.3 | 170.2 | 0 | 0 | 0 | 0 | 111.9 | E155 F156 V157 T161 E162 Q163 L199 R200 | E155-V159 WeakPolarHBondContact O-CG2 3.47Å; E155-V159 PolarHBondContact O-N 2.89Å; F156-V159 PolarHBondContact O-N 3.49Å; V157-V159 PolarHBondContact O-N 3.42Å; V159-T161 VanDerWaalsContact C-N 3.35Å; V159-E162 PolarHBondContact O-N 3.24Å; V159-Q163 VanDerWaalsContact CG1-NE2 3.3Å; V159-Q163 WeakPolarHBondContact O-CG 3.28Å; V159-Q163 PolarHBondContact O-N 3.37Å; V159-Q163 VanDerWaalsContact O-N 3.15Å; V159-L199 HydrophobicContact CG2-CB 4.26Å; V159-R200 HydrophobicContact CG2-CG 4.01Å |
| 160 | I | 95.3 | Very high | 89.7 | Confident | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.015 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 174.4 | -64.3 | 175.3 | 0 | 0 | 0 | 110.3 | F156 V157 K158 E162 Q163 V164 L173 L178 I468 F472 V503 | F156-I160 HydrophobicContact CD1-CD1 4.36Å; F156-I160 HydrophobicContact CD2-CD1 4.11Å; F156-I160 HydrophobicContact CD2-CG1 4.38Å; F156-I160 HydrophobicContact CE1-CD1 3.8Å; F156-I160 HydrophobicContact CE2-CD1 3.53Å; F156-I160 HydrophobicContact CE2-CG1 4.05Å; F156-I160 HydrophobicContact CG-CD1 4.5Å; F156-I160 HydrophobicContact CZ-CD1 3.35Å; F156-I160 HydrophobicContact CZ-CG1 4.36Å; F156-I160 WeakPolarHBondContact O-CG1 3.48Å; F156-I160 PolarHBondContact O-N 2.75Å; V157-I160 PolarHBondContact O-N 2.87Å; K158-I160 PolarHBondContact O-N 3.5Å; I160-E162 VanDerWaalsContact C-N 3.34Å; I160-E162 PolarHBondContact O-N 2.93Å; I160-Q163 PolarHBondContact O-N 3.15Å; I160-Q163 VanDerWaalsContact O-N 3.09Å; I160-V164 HydrophobicContact CG2-CG2 3.84Å; I160-V164 WeakPolarHBondContact O-CB 3.49Å; I160-V164 WeakPolarHBondContact O-CG2 3.47Å; I160-V164 PolarHBondContact O-N 3.31Å; I160-L173 HydrophobicContact CG2-CD1 4.37Å; I160-L178 HydrophobicContact CD1-CD2 3.98Å; I160-L178 HydrophobicContact CG1-CD1 4.23Å; I160-L178 HydrophobicContact CG1-CD2 3.89Å; I160-I468 HydrophobicContact CD1-CG1 4.08Å; I160-F472 HydrophobicContact CB-CE2 4.24Å; I160-F472 HydrophobicContact CB-CZ 4Å; I160-F472 HydrophobicContact CG2-CD1 4.16Å; I160-F472 HydrophobicContact CG2-CD2 4.24Å; I160-F472 HydrophobicContact CG2-CE1 3.64Å; I160-F472 HydrophobicContact CG2-CE2 3.75Å; I160-F472 HydrophobicContact CG2-CG 4.44Å; I160-F472 HydrophobicContact CG2-CZ 3.42Å; I160-F472 VanDerWaalsContact CG2-CZ 3.42Å; I160-V503 HydrophobicContact CG2-CG1 4.4Å |
| 161 | T | 94.2 | Very high | 89.8 | Confident | 43 Ų | 43 | 58 Ų | 58 | 26% | 0.264 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.3 | -49.6 | 178.5 | -56.7 | 0 | 0 | 0 | 0 | 109.7 | V157 K158 V159 Q163 V164 R505 | V157-T161 VanDerWaalsContact O-CB 3.31Å; V157-T161 WeakPolarHBondContact O-CB 3.27Å; V157-T161 PolarHBondContact O-N 2.96Å; V157-T161 PolarHBondContact O-OG1 3.24Å; K158-T161 WeakPolarHBondContact O-CB 3.43Å; K158-T161 PolarHBondContact O-N 3.43Å; V159-T161 VanDerWaalsContact C-N 3.35Å; T161-Q163 PolarHBondContact O-N 3.5Å; T161-V164 PolarHBondContact O-N 3.4Å; T161-R505 PolarHBondContact O-NH2 3.05Å |
| 162 | E | 92.9 | Very high | 89.9 | Confident | 119 Ų | 119 | 54.4 Ų | 54.4 | 56% | 0.556 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -56.5 | -34.9 | 176.6 | -70.9 | 165.9 | -159.1 | 0 | 0 | 113.1 | K158 V159 I160 R200 | K158-E162 VanDerWaalsContact O-CG 3.3Å; K158-E162 WeakPolarHBondContact O-CG 3.25Å; K158-E162 PolarHBondContact O-N 2.88Å; V159-E162 PolarHBondContact O-N 3.24Å; I160-E162 VanDerWaalsContact C-N 3.34Å; I160-E162 PolarHBondContact O-N 2.93Å; E162-R200 IonicContact OE1-CZ 2.77Å; E162-R200 IonicContact OE1-NH1 3.34Å; E162-R200 PolarHBondContact OE1-NH1 3.35Å; E162-R200 IonicContact OE1-NH2 3.37Å; E162-R200 PolarHBondContact OE1-NH2 2.9Å; E162-R200 IonicContact OE2-CZ 3.25Å; E162-R200 IonicContact OE2-NH1 2.81Å; E162-R200 PolarHBondContact OE2-NH1 3.3Å; E162-R200 IonicContact OE2-NH2 2.78Å |
| 163 | Q | 91.2 | Very high | 90 | Very high | 80 Ų | 80 | 54.5 Ų | 54.5 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -84 | -27.5 | -179.8 | -69.4 | 177.1 | 29.7 | 0 | 0 | 114.3 | V159 I160 T161 P165 L173 | V159-Q163 VanDerWaalsContact CG1-NE2 3.3Å; V159-Q163 WeakPolarHBondContact O-CG 3.28Å; V159-Q163 PolarHBondContact O-N 3.37Å; V159-Q163 VanDerWaalsContact O-N 3.15Å; I160-Q163 PolarHBondContact O-N 3.15Å; I160-Q163 VanDerWaalsContact O-N 3.09Å; T161-Q163 PolarHBondContact O-N 3.5Å; Q163-P165 WeakPolarHBondContact O-CD 3.49Å; Q163-L173 HydrophobicContact CB-CD2 4.19Å |
| 164 | V | 92.2 | Very high | 90 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -99.4 | 106.7 | -177.9 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | I160 T161 A171 L173 F472 V503 R505 | I160-V164 HydrophobicContact CG2-CG2 3.84Å; I160-V164 WeakPolarHBondContact O-CB 3.49Å; I160-V164 WeakPolarHBondContact O-CG2 3.47Å; I160-V164 PolarHBondContact O-N 3.31Å; T161-V164 PolarHBondContact O-N 3.4Å; V164-A171 HydrophobicContact CG2-CB 4.31Å; V164-L173 HydrophobicContact CG2-CD1 3.87Å; V164-F472 HydrophobicContact CB-CE1 4.3Å; V164-F472 HydrophobicContact CG2-CE1 4.41Å; V164-V503 WeakPolarHBondContact CG1-O 3.26Å; V164-V503 HydrophobicContact CG2-CB 4.02Å; V164-V503 HydrophobicContact CG2-CG1 3.9Å; V164-R505 HydrophobicContact CG1-CG 3.97Å; V164-R505 PolarHBondContact O-NE 3.49Å; V164-R505 PolarHBondContact O-NH2 3.17Å |
| 165 | P | 84.7 | Confident | 90.1 | Very high | 63 Ų | 63 | 53 Ų | 53 | 41% | 0.409 | 30% | 0.297 | S | S | . | . | trans | -66 | 153.1 | 179.1 | 28.1 | -33 | 0 | 0 | 0 | 111.2 | Q163 A167 | Q163-P165 WeakPolarHBondContact O-CD 3.49Å; P165-A167 HydrophobicContact CB-CB 4.26Å; P165-A167 HydrophobicContact CG-CB 4.44Å; P165-A167 PolarHBondContact O-N 3.42Å | ||
| 166 | A | 78.9 | Confident | 90 | Very high | 90 Ų | 90 | 52 Ų | 52 | 74% | 0.744 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -77.6 | 34.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 167 | A | 73.2 | Confident | 89.9 | Confident | 63 Ų | 63 | 53 Ų | 53 | 52% | 0.521 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -101.4 | 160.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | P165 N169 G170 | P165-A167 HydrophobicContact CB-CB 4.26Å; P165-A167 HydrophobicContact CG-CB 4.44Å; P165-A167 PolarHBondContact O-N 3.42Å; A167-N169 PolarHBondContact O-N 2.95Å; A167-G170 PolarHBondContact O-N 2.68Å |
| 168 | Q | 66.1 | Low | 89.9 | Confident | 188 Ų | 188 | 52.8 Ų | 52.8 | 88% | 0.879 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 127.2 | 170.1 | -81.2 | 176.9 | -16.9 | 0 | 0 | 109.2 | ||
| 169 | N | 77.3 | Confident | 89.9 | Confident | 109 Ų | 109 | 47.8 Ų | 47.8 | 58% | 0.583 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90 | 2.2 | 177.7 | -45.3 | -32 | 0 | 0 | 0 | 117.8 | A167 R502 E504 | A167-N169 PolarHBondContact O-N 2.95Å; N169-R502 WeakPolarHBondContact O-CD 3.3Å; N169-R502 PolarHBondContact O-NH1 3.47Å; N169-E504 WeakPolarHBondContact CA-OE1 3.09Å |
| 170 | G | 89 | Confident | 89.9 | Confident | 16 Ų | 16 | 47.7 Ų | 47.7 | 17% | 0.165 | 27% | 0.273 | C | S | . | . | trans | 58 | -145.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A167 V503 | A167-G170 PolarHBondContact O-N 2.68Å; G170-V503 CarbonylContact C-O 3.03Å; G170-V503 VanDerWaalsContact CA-O 3.29Å; G170-V503 WeakPolarHBondContact CA-O 3.28Å | ||
| 171 | A | 94.9 | Very high | 89.8 | Confident | 17 Ų | 17 | 49.6 Ų | 49.6 | 14% | 0.14 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 149.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V164 L173 R502 V503 | V164-A171 HydrophobicContact CG2-CB 4.31Å; A171-L173 HydrophobicContact CB-CD2 4.2Å; A171-R502 WeakPolarHBondContact O-CA 3.35Å; A171-V503 PolarHBondContact N-O 2.8Å; A171-V503 PolarHBondContact O-N 3.08Å |
| 172 | V | 96.1 | Very high | 89.8 | Confident | 63 Ų | 63 | 47.6 Ų | 47.6 | 38% | 0.382 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 120.4 | 169.6 | 177.2 | 0 | 0 | 0 | 0 | 108.4 | C477 Y500 L501 | V172-C477 HydrophobicContact CG2-CB 4Å; V172-Y500 HydrophobicContact CG1-CD1 4.42Å; V172-L501 WeakPolarHBondContact CA-O 3.32Å |
| 173 | L | 96.3 | Very high | 89.9 | Confident | 15 Ų | 15 | 41.9 Ų | 41.9 | 8% | 0.079 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 144.4 | -179.3 | -57.4 | -174.7 | 0 | 0 | 0 | 110.7 | I160 Q163 V164 A171 I175 L178 Y500 L501 V503 | I160-L173 HydrophobicContact CG2-CD1 4.37Å; Q163-L173 HydrophobicContact CB-CD2 4.19Å; V164-L173 HydrophobicContact CG2-CD1 3.87Å; A171-L173 HydrophobicContact CB-CD2 4.2Å; L173-I175 HydrophobicContact CB-CD1 4.07Å; L173-I175 PolarHBondContact O-N 3.08Å; L173-L178 HydrophobicContact CD1-CD2 4.09Å; L173-Y500 WeakPolarHBondContact O-CA 3.35Å; L173-L501 PolarHBondContact N-O 2.86Å; L173-L501 PolarHBondContact O-N 2.82Å; L173-L501 VanDerWaalsContact O-N 3.1Å; L173-V503 HydrophobicContact CB-CG2 4.35Å; L173-V503 HydrophobicContact CD1-CB 4.19Å; L173-V503 HydrophobicContact CD1-CG2 3.95Å; L173-V503 HydrophobicContact CG-CB 4.49Å; L173-V503 HydrophobicContact CG-CG2 4.18Å |
| 174 | E | 96.4 | Very high | 90 | Very high | 64 Ų | 64 | 38.1 Ų | 38.1 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 95.1 | 166 | -165.2 | -153.7 | 159.4 | 0 | 0 | 109.4 | K176 E177 L178 G498 I499 Y500 | E174-K176 VanDerWaalsContact C-N 3.35Å; E174-K176 PolarHBondContact O-N 2.75Å; E174-E177 HydrophobicContact CB-CB 4.44Å; E174-E177 HydrophobicContact CG-CB 4.17Å; E174-E177 PolarHBondContact O-N 2.72Å; E174-E177 WeakPolarHBondContact OE1-CB 3.25Å; E174-E177 WeakPolarHBondContact OE2-CB 3.31Å; E174-L178 WeakPolarHBondContact O-CB 3.14Å; E174-L178 PolarHBondContact O-N 3.43Å; E174-L178 VanDerWaalsContact O-N 3.1Å; E174-G498 WeakPolarHBondContact OE1-CA 3.33Å; E174-I499 CarbonylContact C-O 3.57Å; E174-Y500 HydrophobicContact CB-CD1 3.98Å; E174-Y500 HydrophobicContact CB-CE1 3.62Å; E174-Y500 HydrophobicContact CG-CD1 4.28Å; E174-Y500 HydrophobicContact CG-CE1 3.82Å; E174-Y500 HydrophobicContact CG-CE2 4.28Å |
| 175 | I | 96.6 | Very high | 90 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.5 | -39.9 | -172.8 | -60.3 | -58.6 | 0 | 0 | 0 | 112 | L173 E177 L178 M179 L323 I499 L501 V503 | L173-I175 HydrophobicContact CB-CD1 4.07Å; L173-I175 PolarHBondContact O-N 3.08Å; I175-E177 PolarHBondContact O-N 3.28Å; I175-L178 PolarHBondContact O-N 3.36Å; I175-M179 HydrophobicContact CG2-CE 4.44Å; I175-M179 HydrophobicContact CG2-CG 4.08Å; I175-M179 WeakPolarHBondContact O-CB 3.42Å; I175-M179 VanDerWaalsContact O-CG 3.3Å; I175-M179 WeakPolarHBondContact O-CG 3.39Å; I175-M179 PolarHBondContact O-N 2.87Å; I175-L323 HydrophobicContact CG2-CB 4.18Å; I175-L323 HydrophobicContact CG2-CD1 3.48Å; I175-L323 VanDerWaalsContact CG2-CD1 3.48Å; I175-L323 HydrophobicContact CG2-CG 4.48Å; I175-I499 WeakPolarHBondContact CB-O 3.38Å; I175-I499 PolarHBondContact N-O 3.03Å; I175-L501 HydrophobicContact CD1-CB 4.34Å; I175-L501 HydrophobicContact CG1-CB 3.77Å; I175-L501 HydrophobicContact CG1-CD1 3.88Å; I175-L501 HydrophobicContact CG1-CG 3.89Å; I175-V503 HydrophobicContact CD1-CG2 3.9Å |
| 176 | K | 94.1 | Very high | 90.4 | Very high | 33 Ų | 33 | 35.6 Ų | 35.6 | 14% | 0.143 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.3 | -48 | -179.6 | -176.8 | 176 | 179.3 | -171.7 | 0 | 112.3 | E174 M179 A180 S320 T495 | E174-K176 VanDerWaalsContact C-N 3.35Å; E174-K176 PolarHBondContact O-N 2.75Å; K176-M179 PolarHBondContact O-N 3.46Å; K176-A180 WeakPolarHBondContact O-CB 3.25Å; K176-A180 PolarHBondContact O-N 2.75Å; K176-S320 WeakPolarHBondContact CA-OG 3.5Å; K176-T495 WeakPolarHBondContact CD-OG1 3.49Å; K176-T495 PolarHBondContact NZ-OG1 3.05Å |
| 177 | E | 93.3 | Very high | 90.9 | Very high | 21 Ų | 21 | 31.7 Ų | 31.7 | 10% | 0.098 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.8 | -39.7 | 179 | 176.5 | 56.6 | -157.7 | 0 | 0 | 111.9 | E174 I175 M179 A180 R181 R207 | E174-E177 HydrophobicContact CB-CB 4.44Å; E174-E177 HydrophobicContact CG-CB 4.17Å; E174-E177 PolarHBondContact O-N 2.72Å; E174-E177 WeakPolarHBondContact OE1-CB 3.25Å; E174-E177 WeakPolarHBondContact OE2-CB 3.31Å; I175-E177 PolarHBondContact O-N 3.28Å; E177-M179 PolarHBondContact O-N 3.06Å; E177-A180 PolarHBondContact O-N 3.2Å; E177-R181 WeakPolarHBondContact O-CG 3.32Å; E177-R181 PolarHBondContact O-N 3.05Å; E177-R181 IonicContact OE1-CZ 3.56Å; E177-R181 IonicContact OE1-NE 3.52Å; E177-R181 PolarHBondContact OE1-NE 2.95Å; E177-R181 IonicContact OE1-NH2 2.74Å; E177-R207 IonicContact OE1-NE 3.62Å; E177-R207 IonicContact OE2-CZ 3.94Å; E177-R207 IonicContact OE2-NE 3.58Å; E177-R207 PolarHBondContact OE2-NE 3.19Å; E177-R207 IonicContact OE2-NH2 3.5Å; E177-R207 PolarHBondContact OE2-NH2 2.73Å |
| 178 | L | 95.2 | Very high | 91.7 | Very high | 9 Ų | 9 | 28.7 Ų | 28.7 | 5% | 0.047 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.7 | -45.8 | 174.1 | 179 | 63.4 | 0 | 0 | 0 | 112.1 | F156 I160 L173 E174 I175 A180 R181 F182 | F156-L178 HydrophobicContact CD2-CD1 4.42Å; F156-L178 HydrophobicContact CE2-CD1 3.82Å; F156-L178 HydrophobicContact CE2-CD2 4.32Å; F156-L178 HydrophobicContact CE2-CG 3.8Å; F156-L178 HydrophobicContact CZ-CG 4.47Å; I160-L178 HydrophobicContact CD1-CD2 3.98Å; I160-L178 HydrophobicContact CG1-CD1 4.23Å; I160-L178 HydrophobicContact CG1-CD2 3.89Å; L173-L178 HydrophobicContact CD1-CD2 4.09Å; E174-L178 WeakPolarHBondContact O-CB 3.14Å; E174-L178 PolarHBondContact O-N 3.43Å; E174-L178 VanDerWaalsContact O-N 3.1Å; I175-L178 PolarHBondContact O-N 3.36Å; L178-A180 VanDerWaalsContact C-N 3.33Å; L178-R181 PolarHBondContact O-N 3.02Å; L178-F182 PolarHBondContact O-N 2.9Å; L178-F182 VanDerWaalsContact O-N 3.07Å |
| 179 | M | 96.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.4 | -35.9 | 175.5 | -67.2 | -45.8 | 90.1 | 0 | 0 | 111.8 | F156 I175 K176 E177 F182 T183 S316 M319 S320 L323 I468 | F156-M179 HydrophobicContact CE2-CE 3.87Å; F156-M179 HydrophobicContact CZ-CE 3.4Å; F156-M179 HydrophobicContact CZ-SD 4.23Å; I175-M179 HydrophobicContact CG2-CE 4.44Å; I175-M179 HydrophobicContact CG2-CG 4.08Å; I175-M179 WeakPolarHBondContact O-CB 3.42Å; I175-M179 VanDerWaalsContact O-CG 3.3Å; I175-M179 WeakPolarHBondContact O-CG 3.39Å; I175-M179 PolarHBondContact O-N 2.87Å; K176-M179 PolarHBondContact O-N 3.46Å; E177-M179 PolarHBondContact O-N 3.06Å; M179-F182 PolarHBondContact O-N 3.35Å; M179-T183 WeakPolarHBondContact O-CG2 3.49Å; M179-T183 PolarHBondContact O-N 3.44Å; M179-T183 PolarHBondContact O-OG1 2.88Å; M179-S316 VanDerWaalsContact C-CB 3.46Å; M179-S316 WeakPolarHBondContact O-CB 3.32Å; M179-M319 HydrophobicContact CB-CE 4.46Å; M179-M319 HydrophobicContact CG-CB 3.84Å; M179-M319 HydrophobicContact SD-CB 3.79Å; M179-M319 HydrophobicContact SD-CE 4.27Å; M179-M319 HydrophobicContact SD-SD 4.2Å; M179-S320 WeakPolarHBondContact CG-OG 3.01Å; M179-L323 HydrophobicContact CE-CD1 4.36Å; M179-L323 HydrophobicContact SD-CD1 4.04Å; M179-I468 HydrophobicContact CE-CD1 3.87Å; M179-I468 HydrophobicContact SD-CD1 4.04Å |
| 180 | A | 93.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.008 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.2 | -41.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K176 E177 L178 T183 T184 R207 | K176-A180 WeakPolarHBondContact O-CB 3.25Å; K176-A180 PolarHBondContact O-N 2.75Å; E177-A180 PolarHBondContact O-N 3.2Å; L178-A180 VanDerWaalsContact C-N 3.33Å; A180-T183 PolarHBondContact O-OG1 3.22Å; A180-T184 VanDerWaalsContact O-CB 3.31Å; A180-T184 WeakPolarHBondContact O-CB 3.44Å; A180-T184 PolarHBondContact O-N 3.49Å; A180-T184 PolarHBondContact O-OG1 3.13Å; A180-R207 VanDerWaalsContact CB-CZ 3.45Å; A180-R207 VanDerWaalsContact CB-NH2 3.34Å |
| 181 | R | 93.8 | Very high | 92.8 | Very high | 44 Ų | 44 | 15.2 Ų | 15.2 | 17% | 0.166 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.5 | -47.2 | 173.4 | -65.6 | 169.7 | -159.8 | 172.6 | 11.1 | 111.7 | E177 L178 T183 T184 D185 T198 L199 | E177-R181 WeakPolarHBondContact O-CG 3.32Å; E177-R181 PolarHBondContact O-N 3.05Å; E177-R181 IonicContact OE1-CZ 3.56Å; E177-R181 IonicContact OE1-NE 3.52Å; E177-R181 PolarHBondContact OE1-NE 2.95Å; E177-R181 IonicContact OE1-NH2 2.74Å; L178-R181 PolarHBondContact O-N 3.02Å; R181-T183 PolarHBondContact O-N 3.44Å; R181-T184 WeakPolarHBondContact O-CB 3.42Å; R181-T184 PolarHBondContact O-N 3.41Å; R181-D185 PolarHBondContact O-N 3Å; R181-T198 WeakPolarHBondContact CA-OG1 3.26Å; R181-T198 WeakPolarHBondContact CD-O 3.42Å; R181-T198 PolarHBondContact O-OG1 3.46Å; R181-L199 HydrophobicContact CB-CD2 4.01Å; R181-L199 HydrophobicContact CB-CG 4.5Å |
| 182 | F | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -55.5 | -50.3 | 176.7 | 171.8 | -120.5 | 0 | 0 | 0 | 112.6 | V152 F156 L178 M179 T184 D185 M186 L199 M319 | V152-F182 HydrophobicContact CG1-CD2 4.28Å; V152-F182 HydrophobicContact CG1-CE2 4.29Å; F156-F182 HydrophobicContact CB-CD2 3.61Å; F156-F182 HydrophobicContact CB-CE2 3.88Å; F156-F182 AromaticContact CD1-CD2 3.82Å; F156-F182 HydrophobicContact CD1-CD2 3.82Å; F156-F182 AromaticContact CD1-CE2 3.85Å; F156-F182 HydrophobicContact CD1-CE2 3.85Å; F156-F182 HydrophobicContact CD1-CG 4.18Å; F156-F182 HydrophobicContact CD1-CZ 4.28Å; F156-F182 HydrophobicContact CD2-CB 3.85Å; F156-F182 AromaticContact CD2-CD2 3.91Å; F156-F182 HydrophobicContact CD2-CD2 3.91Å; F156-F182 HydrophobicContact CD2-CG 4.03Å; F156-F182 HydrophobicContact CE1-CD1 4.5Å; F156-F182 HydrophobicContact CE1-CD2 4.44Å; F156-F182 HydrophobicContact CE1-CG 4.36Å; F156-F182 HydrophobicContact CE2-CB 3.88Å; F156-F182 HydrophobicContact CE2-CG 4.2Å; F156-F182 HydrophobicContact CG-CB 4.31Å; F156-F182 AromaticContact CG-CD2 3.51Å; F156-F182 HydrophobicContact CG-CD2 3.51Å; F156-F182 AromaticContact CG-CE2 3.92Å; F156-F182 HydrophobicContact CG-CE2 3.92Å; F156-F182 AromaticContact CG-CG 4Å; F156-F182 HydrophobicContact CG-CG 4Å; F156-F182 HydrophobicContact CZ-CB 4.4Å; F156-F182 HydrophobicContact CZ-CG 4.36Å; L178-F182 PolarHBondContact O-N 2.9Å; L178-F182 VanDerWaalsContact O-N 3.07Å; M179-F182 PolarHBondContact O-N 3.35Å; F182-T184 PolarHBondContact O-N 2.87Å; F182-D185 PolarHBondContact O-N 3.37Å; F182-M186 HydrophobicContact CD2-CE 4.25Å; F182-M186 HydrophobicContact CD2-CG 4.32Å; F182-M186 HydrophobicContact CE1-CE 4.29Å; F182-M186 HydrophobicContact CE2-CE 3.2Å; F182-M186 HydrophobicContact CE2-CG 4.04Å; F182-M186 HydrophobicContact CE2-SD 4.48Å; F182-M186 HydrophobicContact CZ-CE 3.24Å; F182-M186 HydrophobicContact CZ-CG 4.17Å; F182-M186 VanDerWaalsContact O-CG 3.3Å; F182-M186 WeakPolarHBondContact O-CG 3.37Å; F182-M186 PolarHBondContact O-N 2.76Å; F182-L199 HydrophobicContact CB-CD2 4.13Å; F182-M319 HydrophobicContact CD1-CE 3.65Å; F182-M319 HydrophobicContact CD1-SD 4.19Å; F182-M319 HydrophobicContact CE1-CE 3.87Å; F182-M319 HydrophobicContact CE1-SD 3.97Å |
| 183 | T | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -70.8 | -29.3 | 179.4 | 54.6 | 0 | 0 | 0 | 0 | 113.4 | M179 A180 R181 M186 I187 F312 S316 M319 | M179-T183 WeakPolarHBondContact O-CG2 3.49Å; M179-T183 PolarHBondContact O-N 3.44Å; M179-T183 PolarHBondContact O-OG1 2.88Å; A180-T183 PolarHBondContact O-OG1 3.22Å; R181-T183 PolarHBondContact O-N 3.44Å; T183-M186 PolarHBondContact O-N 3Å; T183-I187 WeakPolarHBondContact O-CG2 3.24Å; T183-I187 PolarHBondContact O-N 3.18Å; T183-F312 PolarHBondContact OG1-O 3.05Å; T183-F312 VanDerWaalsContact OG1-O 3.06Å; T183-S316 WeakPolarHBondContact OG1-CB 3.43Å; T183-M319 HydrophobicContact CG2-CE 3.28Å |
| 184 | T | 93.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.6 | -47.5 | 171.3 | -61.2 | 0 | 0 | 0 | 0 | 111 | A180 R181 F182 M186 I187 G188 C196 T198 F206 Y308 | A180-T184 VanDerWaalsContact O-CB 3.31Å; A180-T184 WeakPolarHBondContact O-CB 3.44Å; A180-T184 PolarHBondContact O-N 3.49Å; A180-T184 PolarHBondContact O-OG1 3.13Å; R181-T184 WeakPolarHBondContact O-CB 3.42Å; R181-T184 PolarHBondContact O-N 3.41Å; F182-T184 PolarHBondContact O-N 2.87Å; T184-M186 VanDerWaalsContact C-N 3.34Å; T184-M186 PolarHBondContact O-N 3.49Å; T184-I187 WeakPolarHBondContact O-CG2 3.47Å; T184-I187 PolarHBondContact O-N 2.89Å; T184-G188 PolarHBondContact O-N 3.44Å; T184-C196 HydrophobicContact CG2-CB 4.45Å; T184-T198 HydrophobicContact CG2-CG2 3.68Å; T184-F206 HydrophobicContact CG2-CB 4.39Å; T184-Y308 HydrophobicContact CG2-CE2 4.1Å |
| 185 | D | 92.9 | Very high | 90 | Very high | 10 Ų | 10 | 15.8 Ų | 15.8 | 5% | 0.053 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -67.8 | -35.5 | 178.2 | -74.3 | 1 | 0 | 0 | 0 | 111.6 | V152 R181 F182 T189 C196 N197 T198 L199 | V152-D185 HydrophobicContact CG1-CB 3.94Å; R181-D185 PolarHBondContact O-N 3Å; F182-D185 PolarHBondContact O-N 3.37Å; D185-T189 VanDerWaalsContact O-CB 3.25Å; D185-T189 WeakPolarHBondContact O-CB 3.33Å; D185-T189 PolarHBondContact O-N 3.13Å; D185-T189 PolarHBondContact O-OG1 3.04Å; D185-C196 WeakPolarHBondContact OD1-CB 3.17Å; D185-N197 PolarHBondContact OD1-N 3.1Å; D185-T198 VanDerWaalsContact CG-OG1 3.27Å; D185-T198 WeakPolarHBondContact OD1-CB 3.32Å; D185-T198 WeakPolarHBondContact OD1-CG2 3.35Å; D185-T198 PolarHBondContact OD1-N 3.45Å; D185-T198 PolarHBondContact OD1-OG1 2.95Å; D185-T198 PolarHBondContact OD2-N 3.06Å; D185-T198 VanDerWaalsContact OD2-N 3.1Å; D185-L199 HydrophobicContact CB-CD1 4.49Å; D185-L199 WeakPolarHBondContact OD2-CG 3.3Å; D185-L199 PolarHBondContact OD2-N 3.39Å; D185-L199 VanDerWaalsContact OD2-N 3.08Å |
| 186 | M | 92.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.4 | -55 | 173.7 | -79.6 | -69.2 | -172.9 | 0 | 0 | 112.2 | V149 V152 F182 T183 T184 C190 | V149-M186 HydrophobicContact CB-CE 4.27Å; V149-M186 HydrophobicContact CB-SD 4.06Å; V149-M186 HydrophobicContact CG1-CE 3.49Å; V149-M186 VanDerWaalsContact CG1-CE 3.49Å; V149-M186 HydrophobicContact CG1-SD 3.66Å; V149-M186 HydrophobicContact CG2-SD 4.24Å; V149-M186 WeakPolarHBondContact O-CE 3.48Å; V152-M186 HydrophobicContact CB-CE 3.88Å; V152-M186 HydrophobicContact CB-CG 4.5Å; V152-M186 HydrophobicContact CB-SD 3.8Å; V152-M186 HydrophobicContact CG1-CE 3.96Å; V152-M186 HydrophobicContact CG1-CG 3.9Å; V152-M186 HydrophobicContact CG1-SD 3.87Å; V152-M186 HydrophobicContact CG2-SD 4.39Å; F182-M186 HydrophobicContact CD2-CE 4.25Å; F182-M186 HydrophobicContact CD2-CG 4.32Å; F182-M186 HydrophobicContact CE1-CE 4.29Å; F182-M186 HydrophobicContact CE2-CE 3.2Å; F182-M186 HydrophobicContact CE2-CG 4.04Å; F182-M186 HydrophobicContact CE2-SD 4.48Å; F182-M186 HydrophobicContact CZ-CE 3.24Å; F182-M186 HydrophobicContact CZ-CG 4.17Å; F182-M186 VanDerWaalsContact O-CG 3.3Å; F182-M186 WeakPolarHBondContact O-CG 3.37Å; F182-M186 PolarHBondContact O-N 2.76Å; T183-M186 PolarHBondContact O-N 3Å; T184-M186 VanDerWaalsContact C-N 3.34Å; T184-M186 PolarHBondContact O-N 3.49Å; M186-C190 WeakPolarHBondContact O-CB 3.26Å; M186-C190 PolarHBondContact O-N 2.73Å; M186-C190 PolarHBondContact O-SG 3.29Å |
| 187 | I | 89.8 | Confident | 88.8 | Confident | 8 Ų | 8 | 18.8 Ų | 18.8 | 4% | 0.041 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69.6 | -38.9 | -178.3 | -164.6 | 67.5 | 0 | 0 | 0 | 111.2 | T183 T184 T189 A191 F192 Y308 F312 F456 | T183-I187 WeakPolarHBondContact O-CG2 3.24Å; T183-I187 PolarHBondContact O-N 3.18Å; T184-I187 WeakPolarHBondContact O-CG2 3.47Å; T184-I187 PolarHBondContact O-N 2.89Å; I187-T189 PolarHBondContact O-N 3.06Å; I187-A191 HydrophobicContact CD1-CB 3.69Å; I187-A191 HydrophobicContact CG1-CB 4.08Å; I187-A191 WeakPolarHBondContact O-CA 3.33Å; I187-A191 WeakPolarHBondContact O-CB 3.41Å; I187-A191 PolarHBondContact O-N 3.12Å; I187-F192 HydrophobicContact CG1-CE2 4.1Å; I187-Y308 HydrophobicContact CG2-CD2 3.77Å; I187-Y308 HydrophobicContact CG2-CE2 4.05Å; I187-F312 HydrophobicContact CG2-CB 4.42Å; I187-F456 HydrophobicContact CD1-CE1 3.88Å; I187-F456 HydrophobicContact CD1-CZ 4.29Å |
| 188 | G | 89.4 | Confident | 88.5 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | I | π-helix | trans | -55.1 | -52.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T184 F192 G193 I194 | T184-G188 PolarHBondContact O-N 3.44Å; G188-F192 CarbonylContact O-C 3.5Å; G188-F192 WeakPolarHBondContact O-CA 3.49Å; G188-F192 WeakPolarHBondContact O-CB 3.39Å; G188-F192 PolarHBondContact O-N 3.47Å; G188-F192 VanDerWaalsContact O-N 3.16Å; G188-G193 PolarHBondContact O-N 2.91Å; G188-I194 CarbonylContact C-O 3.44Å; G188-I194 PolarHBondContact O-N 3.36Å |
| 189 | T | 88.4 | Confident | 88.2 | Confident | 17 Ų | 17 | 17.6 Ų | 17.6 | 10% | 0.104 | 9% | 0.094 | C | C | . | . | I | π-helix | trans | -75.2 | -42.7 | -175 | -49.8 | 0 | 0 | 0 | 0 | 112.2 | T148 V152 D185 I187 G193 I194 R268 | T148-T189 HydrophobicContact CG2-CG2 3.45Å; T148-T189 VanDerWaalsContact CG2-CG2 3.45Å; V152-T189 HydrophobicContact CG2-CG2 4.34Å; D185-T189 VanDerWaalsContact O-CB 3.25Å; D185-T189 WeakPolarHBondContact O-CB 3.33Å; D185-T189 PolarHBondContact O-N 3.13Å; D185-T189 PolarHBondContact O-OG1 3.04Å; I187-T189 PolarHBondContact O-N 3.06Å; T189-G193 WeakPolarHBondContact O-CA 3.36Å; T189-G193 PolarHBondContact O-N 2.88Å; T189-I194 PolarHBondContact N-O 3.36Å; T189-R268 PolarHBondContact O-NH2 3.22Å |
| 190 | C | 85.4 | Confident | 87.8 | Confident | 6 Ų | 6 | 23.5 Ų | 23.5 | 4% | 0.041 | 12% | 0.116 | C | C | . | . | I | π-helix | trans | -81.1 | -42.8 | -174.4 | -61.3 | 0 | 0 | 0 | 0 | 112.8 | M145 V149 M186 F456 | M145-C190 HydrophobicContact SD-CB 4.23Å; V149-C190 VanDerWaalsContact CG2-SG 3.58Å; M186-C190 WeakPolarHBondContact O-CB 3.26Å; M186-C190 PolarHBondContact O-N 2.73Å; M186-C190 PolarHBondContact O-SG 3.29Å; C190-F456 HydrophobicContact CB-CE2 4.08Å; C190-F456 HydrophobicContact CB-CZ 4.18Å |
| 191 | A | 81.2 | Confident | 87.5 | Confident | 7 Ų | 7 | 27.2 Ų | 27.2 | 6% | 0.058 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -86.7 | -43.8 | -177.1 | 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 3.33Å; I187-A191 WeakPolarHBondContact O-CB 3.41Å; I187-A191 PolarHBondContact O-N 3.12Å; A191-F271 HydrophobicContact CB-CB 3.97Å; A191-F271 HydrophobicContact CB-CD1 4.38Å; A191-F271 WeakPolarHBondContact O-CA 3.44Å; A191-F271 VanDerWaalsContact O-CB 3.23Å; A191-F271 WeakPolarHBondContact O-CB 3.27Å; A191-F271 PolarHBondContact O-N 3.1Å; A191-M272 PolarHBondContact O-N 3.04Å |
| 192 | F | 81.5 | Confident | 86.5 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -105.4 | -12.6 | -170.7 | -49 | -51.1 | 0 | 0 | 0 | 113.7 | I187 G188 I194 R261 F271 M272 V304 F307 Y308 | I187-F192 HydrophobicContact CG1-CE2 4.1Å; G188-F192 CarbonylContact O-C 3.5Å; G188-F192 WeakPolarHBondContact O-CA 3.49Å; G188-F192 WeakPolarHBondContact O-CB 3.39Å; G188-F192 PolarHBondContact O-N 3.47Å; G188-F192 VanDerWaalsContact O-N 3.16Å; F192-I194 HydrophobicContact CB-CB 4.44Å; F192-I194 HydrophobicContact CB-CD1 3.9Å; F192-I194 HydrophobicContact CB-CG1 3.93Å; F192-I194 PolarHBondContact O-N 3.14Å; F192-R261 PolarHBondContact O-NH2 2.9Å; F192-F271 HydrophobicContact CE1-CD1 4.02Å; F192-M272 HydrophobicContact CD1-CE 4.15Å; F192-V304 HydrophobicContact CD1-CG1 4.05Å; F192-V304 HydrophobicContact CD1-CG2 4.41Å; F192-V304 HydrophobicContact CE1-CB 4.1Å; F192-V304 HydrophobicContact CE1-CG1 3.67Å; F192-V304 HydrophobicContact CE1-CG2 4.08Å; F192-V304 HydrophobicContact CZ-CG1 3.97Å; F192-V304 WeakPolarHBondContact CZ-O 3.46Å; F192-F307 HydrophobicContact CZ-CB 4.41Å; F192-Y308 AromaticContact CE2-CD2 3.99Å; F192-Y308 HydrophobicContact CE2-CD2 3.99Å; F192-Y308 HydrophobicContact CE2-CG 4.36Å |
| 193 | G | 80.3 | Confident | 85.5 | Confident | 17 Ų | 17 | 33.4 Ų | 33.4 | 18% | 0.175 | 18% | 0.182 | C | C | . | . | trans | 67.8 | 27.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G188 T189 R268 | G188-G193 PolarHBondContact O-N 2.91Å; T189-G193 WeakPolarHBondContact O-CA 3.36Å; T189-G193 PolarHBondContact O-N 2.88Å; G193-R268 VanDerWaalsContact C-NH1 3.32Å; G193-R268 VanDerWaalsContact CA-NH1 3.32Å; G193-R268 PolarHBondContact O-NH1 2.77Å | ||
| 194 | I | 81.4 | Confident | 84.8 | Confident | 36 Ų | 36 | 34.2 Ų | 34.2 | 19% | 0.185 | 19% | 0.188 | C | C | . | . | trans | -111.3 | 126.8 | -176.6 | -58.8 | 178.5 | 0 | 0 | 0 | 108.5 | G188 T189 F192 C196 F206 L253 | G188-I194 CarbonylContact C-O 3.44Å; G188-I194 PolarHBondContact O-N 3.36Å; T189-I194 PolarHBondContact N-O 3.36Å; F192-I194 HydrophobicContact CB-CB 4.44Å; F192-I194 HydrophobicContact CB-CD1 3.9Å; F192-I194 HydrophobicContact CB-CG1 3.93Å; F192-I194 PolarHBondContact O-N 3.14Å; I194-C196 PolarHBondContact O-N 3.32Å; I194-F206 HydrophobicContact CD1-CZ 4.02Å; I194-F206 HydrophobicContact CG2-CE2 4.07Å; I194-F206 HydrophobicContact CG2-CZ 4.05Å; I194-L253 HydrophobicContact CD1-CD1 3.59Å; I194-L253 HydrophobicContact CD1-CG 4.48Å | ||
| 195 | E | 81.5 | Confident | 84.3 | Confident | 117 Ų | 117 | 39.6 Ų | 39.6 | 55% | 0.547 | 22% | 0.216 | S | C | . | . | trans | -82 | 94.8 | 172.8 | -64 | -172.1 | 171.4 | 0 | 0 | 108.9 | N197 | E195-N197 VanDerWaalsContact C-N 3.3Š| ||
| 196 | C | 81.1 | Confident | 83.7 | Confident | 15 Ų | 15 | 40.3 Ų | 40.3 | 10% | 0.101 | 22% | 0.219 | C | C | . | . | trans | -73.8 | -23.9 | 179.6 | -57.7 | 0 | 0 | 0 | 0 | 112.6 | T184 D185 I194 T198 | T184-C196 HydrophobicContact CG2-CB 4.45Å; D185-C196 WeakPolarHBondContact OD1-CB 3.17Å; I194-C196 PolarHBondContact O-N 3.32Å; C196-T198 HydrophobicContact CB-CG2 3.72Å; C196-T198 PolarHBondContact O-N 2.74Å; C196-T198 VanDerWaalsContact O-N 3.08Å | ||
| 197 | N | 84.9 | Confident | 83.3 | Confident | 86 Ų | 86 | 41 Ų | 41 | 46% | 0.46 | 22% | 0.222 | S | C | . | . | trans | 48.9 | 33.8 | 178.7 | -66.9 | -36.5 | 0 | 0 | 0 | 113.9 | D185 E195 L199 R200 T201 | D185-N197 PolarHBondContact OD1-N 3.1Å; E195-N197 VanDerWaalsContact C-N 3.3Å; N197-L199 VanDerWaalsContact C-N 3.3Å; N197-L199 PolarHBondContact O-N 2.98Å; N197-R200 PolarHBondContact O-N 3.32Å; N197-T201 WeakPolarHBondContact O-CB 3.12Å; N197-T201 PolarHBondContact O-N 3.02Å | ||
| 198 | T | 87.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -22.9 | -175.1 | 66.1 | 0 | 0 | 0 | 0 | 112.8 | R181 T184 D185 C196 R200 T201 S204 | R181-T198 WeakPolarHBondContact CA-OG1 3.26Å; R181-T198 WeakPolarHBondContact CD-O 3.42Å; R181-T198 PolarHBondContact O-OG1 3.46Å; T184-T198 HydrophobicContact CG2-CG2 3.68Å; D185-T198 VanDerWaalsContact CG-OG1 3.27Å; D185-T198 WeakPolarHBondContact OD1-CB 3.32Å; D185-T198 WeakPolarHBondContact OD1-CG2 3.35Å; D185-T198 PolarHBondContact OD1-N 3.45Å; D185-T198 PolarHBondContact OD1-OG1 2.95Å; D185-T198 PolarHBondContact OD2-N 3.06Å; D185-T198 VanDerWaalsContact OD2-N 3.1Å; C196-T198 HydrophobicContact CB-CG2 3.72Å; C196-T198 PolarHBondContact O-N 2.74Å; C196-T198 VanDerWaalsContact O-N 3.08Å; T198-R200 VanDerWaalsContact C-N 3.3Å; T198-R200 PolarHBondContact O-N 3.47Å; T198-T201 WeakPolarHBondContact CA-O 3.5Å; T198-T201 CarbonylContact O-C 3.39Å; T198-S204 WeakPolarHBondContact CG2-OG 3.44Å |
| 199 | L | 88.3 | Confident | 83.2 | Confident | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -40.6 | 172.4 | -75.2 | 170.6 | 0 | 0 | 0 | 112.4 | F156 V159 R181 F182 D185 N197 | F156-L199 HydrophobicContact CB-CD1 3.98Å; F156-L199 HydrophobicContact CD2-CD2 3.69Å; F156-L199 HydrophobicContact CE2-CD2 4.43Å; V159-L199 HydrophobicContact CG2-CB 4.26Å; R181-L199 HydrophobicContact CB-CD2 4.01Å; R181-L199 HydrophobicContact CB-CG 4.5Å; F182-L199 HydrophobicContact CB-CD2 4.13Å; D185-L199 HydrophobicContact CB-CD1 4.49Å; D185-L199 WeakPolarHBondContact OD2-CG 3.3Å; D185-L199 PolarHBondContact OD2-N 3.39Å; D185-L199 VanDerWaalsContact OD2-N 3.08Å; N197-L199 VanDerWaalsContact C-N 3.3Å; N197-L199 PolarHBondContact O-N 2.98Å |
| 200 | R | 88.7 | Confident | 83 | Confident | 123 Ų | 123 | 43.2 Ų | 43.2 | 46% | 0.464 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -28.1 | 179.1 | -68 | -165.4 | 174.8 | -78.5 | -4.4 | 113.6 | E155 V159 E162 N197 T198 P202 | E155-R200 IonicContact OE1-CZ 3.74Å; E155-R200 IonicContact OE1-NE 2.92Å; E155-R200 PolarHBondContact OE1-NE 2.97Å; E155-R200 IonicContact OE1-NH2 3.52Å; E155-R200 PolarHBondContact OE1-NH2 2.94Å; V159-R200 HydrophobicContact CG2-CG 4.01Å; E162-R200 IonicContact OE1-CZ 2.77Å; E162-R200 IonicContact OE1-NH1 3.34Å; E162-R200 PolarHBondContact OE1-NH1 3.35Å; E162-R200 IonicContact OE1-NH2 3.37Å; E162-R200 PolarHBondContact OE1-NH2 2.9Å; E162-R200 IonicContact OE2-CZ 3.25Å; E162-R200 IonicContact OE2-NH1 2.81Å; E162-R200 PolarHBondContact OE2-NH1 3.3Å; E162-R200 IonicContact OE2-NH2 2.78Å; N197-R200 PolarHBondContact O-N 3.32Å; T198-R200 VanDerWaalsContact C-N 3.3Å; T198-R200 PolarHBondContact O-N 3.47Å; R200-P202 WeakPolarHBondContact O-CD 3.44Å |
| 201 | T | 85.2 | Confident | 83 | Confident | 80 Ų | 80 | 46.4 Ų | 46.4 | 49% | 0.491 | 25% | 0.249 | S | C | . | . | trans | -118 | 86.3 | 179.1 | -46.4 | 0 | 0 | 0 | 0 | 109.4 | N197 T198 V203 | N197-T201 WeakPolarHBondContact O-CB 3.12Å; N197-T201 PolarHBondContact O-N 3.02Å; T198-T201 WeakPolarHBondContact CA-O 3.5Å; T198-T201 CarbonylContact O-C 3.39Å; T201-V203 PolarHBondContact O-N 2.69Å; T201-V203 VanDerWaalsContact O-N 3.15Å | ||
| 202 | P | 73 | Confident | 83.4 | Confident | 52 Ų | 52 | 48.7 Ų | 48.7 | 34% | 0.338 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -57.6 | -33 | -171.6 | -28.9 | 37.1 | 0 | 0 | 0 | 114.3 | R200 | R200-P202 WeakPolarHBondContact O-CD 3.44Š|
| 203 | V | 75.1 | Confident | 83.5 | Confident | 121 Ų | 121 | 50 Ų | 50 | 73% | 0.733 | 27% | 0.265 | S | S | * | . | trans | -97 | 100.7 | 178.5 | -174.8 | 0 | 0 | 0 | 0 | 108.3 | T201 | T201-V203 PolarHBondContact O-N 2.69Å; T201-V203 VanDerWaalsContact O-N 3.15Å | ||
| 204 | S | 79.9 | Confident | 83.6 | Confident | 18 Ų | 18 | 50.6 Ų | 50.6 | 13% | 0.126 | 26% | 0.263 | C | S | . | . | trans | -126.5 | 154.8 | 171.5 | 71.7 | 0 | 0 | 0 | 0 | 110.7 | T198 F206 R207 T208 | T198-S204 WeakPolarHBondContact CG2-OG 3.44Å; S204-F206 PolarHBondContact O-N 3.44Å; S204-R207 PolarHBondContact O-N 2.92Å; S204-R207 WeakPolarHBondContact OG-CB 3.26Å; S204-R207 PolarHBondContact OG-N 3.29Å; S204-R207 VanDerWaalsContact OG-N 3.11Å; S204-T208 WeakPolarHBondContact O-CB 3.17Å; S204-T208 PolarHBondContact O-N 3.23Å; S204-T208 PolarHBondContact O-OG1 3.3Å | ||
| 205 | D | 82.3 | Confident | 83.5 | Confident | 112 Ų | 112 | 52.8 Ų | 52.8 | 60% | 0.599 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -58.6 | -39.5 | 174.2 | -72.5 | -13.9 | 0 | 0 | 0 | 111 | T208 M209 F249 | D205-T208 PolarHBondContact O-N 3.07Å; D205-M209 VanDerWaalsContact O-CB 3.3Å; D205-M209 WeakPolarHBondContact O-CB 3.46Å; D205-M209 WeakPolarHBondContact O-CG 3.43Å; D205-M209 PolarHBondContact O-N 3.29Å; D205-F249 HydrophobicContact CB-CD2 4.33Å; D205-F249 HydrophobicContact CB-CE2 3.68Å; D205-F249 HydrophobicContact CB-CZ 4.37Å |
| 206 | F | 80.3 | Confident | 83.6 | Confident | 25 Ų | 25 | 50.7 Ų | 50.7 | 11% | 0.11 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.8 | -55.8 | 175 | -84.7 | -84.6 | 0 | 0 | 0 | 111.6 | T184 I194 S204 T208 M209 G210 F249 L253 Y308 | T184-F206 HydrophobicContact CG2-CB 4.39Å; I194-F206 HydrophobicContact CD1-CZ 4.02Å; I194-F206 HydrophobicContact CG2-CE2 4.07Å; I194-F206 HydrophobicContact CG2-CZ 4.05Å; S204-F206 PolarHBondContact O-N 3.44Å; F206-T208 VanDerWaalsContact C-N 3.35Å; F206-T208 PolarHBondContact O-N 3.38Å; F206-M209 PolarHBondContact O-N 3.33Å; F206-G210 PolarHBondContact O-N 2.81Å; F206-F249 HydrophobicContact CD1-CE1 4.09Å; F206-F249 AromaticContact CD1-CZ 3.9Å; F206-F249 HydrophobicContact CD1-CZ 3.9Å; F206-F249 AromaticContact CD2-CZ 3.99Å; F206-F249 HydrophobicContact CD2-CZ 3.99Å; F206-F249 HydrophobicContact CE1-CE1 4.23Å; F206-F249 HydrophobicContact CE1-CZ 4.03Å; F206-F249 HydrophobicContact CE2-CZ 4.11Å; F206-F249 HydrophobicContact CG-CE1 4.47Å; F206-F249 AromaticContact CG-CZ 3.9Å; F206-F249 HydrophobicContact CG-CZ 3.9Å; F206-F249 HydrophobicContact CZ-CZ 4.14Å; F206-L253 HydrophobicContact CE1-CD1 4.31Å; F206-L253 HydrophobicContact CE1-CD2 3.58Å; F206-L253 HydrophobicContact CE2-CD1 4.41Å; F206-L253 HydrophobicContact CZ-CD1 3.58Å; F206-L253 HydrophobicContact CZ-CD2 3.75Å; F206-L253 HydrophobicContact CZ-CG 4.32Å; F206-Y308 HydrophobicContact CD1-CD2 4.37Å; F206-Y308 AromaticContact CD1-CE2 3.81Å; F206-Y308 HydrophobicContact CD1-CE2 3.81Å; F206-Y308 PolarHBondContact O-OH 3.23Å |
| 207 | R | 84.7 | Confident | 83.8 | Confident | 14 Ų | 14 | 51.9 Ų | 51.9 | 5% | 0.053 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.8 | -45.6 | -177.9 | -179.3 | 64.5 | -176.9 | 124.3 | -0.2 | 111.3 | E177 A180 S204 G210 Q211 | E177-R207 IonicContact OE1-NE 3.62Å; E177-R207 IonicContact OE2-CZ 3.94Å; E177-R207 IonicContact OE2-NE 3.58Å; E177-R207 PolarHBondContact OE2-NE 3.19Å; E177-R207 IonicContact OE2-NH2 3.5Å; E177-R207 PolarHBondContact OE2-NH2 2.73Å; A180-R207 VanDerWaalsContact CB-CZ 3.45Å; A180-R207 VanDerWaalsContact CB-NH2 3.34Å; S204-R207 PolarHBondContact O-N 2.92Å; S204-R207 WeakPolarHBondContact OG-CB 3.26Å; S204-R207 PolarHBondContact OG-N 3.29Å; S204-R207 VanDerWaalsContact OG-N 3.11Å; R207-G210 PolarHBondContact O-N 3.33Å; R207-Q211 WeakPolarHBondContact O-CG 3.29Å; R207-Q211 PolarHBondContact O-N 2.93Å |
| 208 | T | 87.5 | Confident | 83.9 | Confident | 47 Ų | 47 | 51.6 Ų | 51.6 | 29% | 0.288 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63 | -48.8 | -178.8 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | S204 D205 F206 G210 Q211 K212 | S204-T208 WeakPolarHBondContact O-CB 3.17Å; S204-T208 PolarHBondContact O-N 3.23Å; S204-T208 PolarHBondContact O-OG1 3.3Å; D205-T208 PolarHBondContact O-N 3.07Å; F206-T208 VanDerWaalsContact C-N 3.35Å; F206-T208 PolarHBondContact O-N 3.38Å; T208-G210 VanDerWaalsContact C-N 3.33Å; T208-G210 PolarHBondContact O-N 2.94Å; T208-Q211 PolarHBondContact O-N 3.46Å; T208-K212 WeakPolarHBondContact O-CG 3.41Å; T208-K212 PolarHBondContact O-N 3.25Å |
| 209 | M | 89.3 | Confident | 83.9 | Confident | 25 Ų | 25 | 54.7 Ų | 54.7 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.3 | -35.8 | 179.1 | -63.9 | -57.8 | 133.8 | 0 | 0 | 111.7 | D205 F206 K212 V213 D245 V246 F249 | D205-M209 VanDerWaalsContact O-CB 3.3Å; D205-M209 WeakPolarHBondContact O-CB 3.46Å; D205-M209 WeakPolarHBondContact O-CG 3.43Å; D205-M209 PolarHBondContact O-N 3.29Å; F206-M209 PolarHBondContact O-N 3.33Å; M209-K212 PolarHBondContact O-N 2.66Å; M209-K212 HydrophobicContact SD-CD 4.46Å; M209-V213 WeakPolarHBondContact O-CG2 3.44Å; M209-D245 HydrophobicContact SD-CB 4.36Å; M209-V246 HydrophobicContact SD-CG2 4.24Å; M209-F249 HydrophobicContact CB-CD1 3.87Å; M209-F249 HydrophobicContact CB-CE1 4.25Å; M209-F249 HydrophobicContact CB-CG 4.18Å; M209-F249 HydrophobicContact CG-CB 3.92Å; M209-F249 HydrophobicContact CG-CD1 3.88Å; M209-F249 HydrophobicContact CG-CD2 4.01Å; M209-F249 HydrophobicContact CG-CE1 4.42Å; M209-F249 HydrophobicContact CG-CG 3.66Å; M209-F249 HydrophobicContact SD-CB 4.38Å |
| 210 | G | 84.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F206 R207 T208 V213 F312 | F206-G210 PolarHBondContact O-N 2.81Å; R207-G210 PolarHBondContact O-N 3.33Å; T208-G210 VanDerWaalsContact C-N 3.33Å; T208-G210 PolarHBondContact O-N 2.94Å; G210-V213 WeakPolarHBondContact O-CB 3.29Å; G210-V213 PolarHBondContact O-N 2.92Å; G210-F312 WeakPolarHBondContact O-CZ 3.47Å |
| 211 | Q | 84.9 | Confident | 83.5 | Confident | 74 Ų | 74 | 55.1 Ų | 55.1 | 35% | 0.346 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 178 | -73.8 | 175.8 | -16.4 | 0 | 0 | 112.1 | R207 T208 V213 F214 T215 | R207-Q211 WeakPolarHBondContact O-CG 3.29Å; R207-Q211 PolarHBondContact O-N 2.93Å; T208-Q211 PolarHBondContact O-N 3.46Å; Q211-V213 PolarHBondContact O-N 3.43Å; Q211-V213 VanDerWaalsContact O-N 3.11Å; Q211-F214 PolarHBondContact O-N 3.4Å; Q211-T215 PolarHBondContact O-N 3.05Å; Q211-T215 PolarHBondContact O-OG1 3.25Å |
| 212 | K | 88.1 | Confident | 83.4 | Confident | 55 Ų | 55 | 58.1 Ų | 58.1 | 24% | 0.239 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.7 | -28.5 | -177.9 | -74.8 | -172.7 | 178.1 | -163.9 | 0 | 113.8 | T208 M209 F214 T215 D216 D245 V246 | T208-K212 WeakPolarHBondContact O-CG 3.41Å; T208-K212 PolarHBondContact O-N 3.25Å; M209-K212 PolarHBondContact O-N 2.66Å; M209-K212 HydrophobicContact SD-CD 4.46Å; K212-F214 PolarHBondContact O-N 3.24Å; K212-T215 PolarHBondContact O-N 3.2Å; K212-D216 HydrophobicContact CB-CB 4.46Å; K212-D216 WeakPolarHBondContact O-CB 3.43Å; K212-D216 PolarHBondContact O-N 2.67Å; K212-D245 WeakPolarHBondContact CD-OD2 3.4Å; K212-D245 IonicContact NZ-OD2 3.48Å; K212-D245 PolarHBondContact NZ-OD2 3.13Å; K212-V246 HydrophobicContact CB-CG2 3.87Å |
| 213 | V | 85.3 | Confident | 84.1 | Confident | 27 Ų | 27 | 59.6 Ų | 59.6 | 16% | 0.164 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.5 | -31.8 | 176.2 | 177.4 | 0 | 0 | 0 | 0 | 112.3 | M209 G210 Q211 V246 F305 V309 | M209-V213 WeakPolarHBondContact O-CG2 3.44Å; G210-V213 WeakPolarHBondContact O-CB 3.29Å; G210-V213 PolarHBondContact O-N 2.92Å; Q211-V213 PolarHBondContact O-N 3.43Å; Q211-V213 VanDerWaalsContact O-N 3.11Å; V213-V246 HydrophobicContact CG2-CG1 3.84Å; V213-F305 HydrophobicContact CG1-CE2 4.33Å; V213-F305 HydrophobicContact CG1-CZ 3.85Å; V213-F305 HydrophobicContact CG2-CE2 3.57Å; V213-F305 HydrophobicContact CG2-CZ 3.93Å; V213-V309 HydrophobicContact CB-CG2 4.39Å; V213-V309 HydrophobicContact CG1-CG1 3.97Å; V213-V309 HydrophobicContact CG1-CG2 4.14Å; V213-V309 HydrophobicContact CG2-CG2 4.02Å |
| 214 | F | 81.2 | Confident | 84.6 | Confident | 31 Ų | 31 | 54.7 Ų | 54.7 | 14% | 0.136 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -97.9 | -25 | -176.4 | -63.5 | -79.7 | 0 | 0 | 0 | 113.5 | Q211 K212 V309 F312 E313 V492 | Q211-F214 PolarHBondContact O-N 3.4Å; K212-F214 PolarHBondContact O-N 3.24Å; F214-V309 HydrophobicContact CE1-CG1 4.19Å; F214-V309 HydrophobicContact CE2-CG1 3.59Å; F214-V309 HydrophobicContact CZ-CG1 3.27Å; F214-F312 HydrophobicContact CD2-CZ 4.19Å; F214-F312 HydrophobicContact CE2-CE1 4.13Å; F214-F312 HydrophobicContact CE2-CE2 4.47Å; F214-F312 AromaticContact CE2-CZ 3.66Å; F214-F312 HydrophobicContact CE2-CZ 3.66Å; F214-E313 HydrophobicContact CD2-CB 4.38Å; F214-E313 HydrophobicContact CD2-CG 4.12Å; F214-E313 HydrophobicContact CE1-CB 4.43Å; F214-E313 HydrophobicContact CE1-CG 4.13Å; F214-E313 HydrophobicContact CE2-CB 3.52Å; F214-E313 HydrophobicContact CE2-CG 3.68Å; F214-E313 HydrophobicContact CZ-CB 3.53Å; F214-E313 HydrophobicContact CZ-CG 3.67Å; F214-V492 HydrophobicContact CD1-CG2 4.33Å; F214-V492 HydrophobicContact CE1-CG1 4.47Å; F214-V492 HydrophobicContact CE1-CG2 4.32Å |
| 215 | T | 79.4 | Confident | 84.8 | Confident | 81 Ų | 81 | 55.9 Ų | 55.9 | 50% | 0.497 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -99.5 | -35.9 | -174.8 | 58 | 0 | 0 | 0 | 0 | 113.4 | Q211 K212 | Q211-T215 PolarHBondContact O-N 3.05Å; Q211-T215 PolarHBondContact O-OG1 3.25Å; K212-T215 PolarHBondContact O-N 3.2Å |
| 216 | D | 84.6 | Confident | 85 | Confident | 74 Ų | 74 | 53.3 Ų | 53.3 | 40% | 0.396 | 27% | 0.271 | S | S | . | . | trans | -98.2 | 144.7 | -165.6 | -65.7 | 12.5 | 0 | 0 | 0 | 111.4 | K212 P243 | K212-D216 HydrophobicContact CB-CB 4.46Å; K212-D216 WeakPolarHBondContact O-CB 3.43Å; K212-D216 PolarHBondContact O-N 2.67Å; D216-P243 HydrophobicContact CB-CG 4.24Å | ||
| 217 | M | 84.6 | Confident | 85.3 | Confident | 40 Ų | 40 | 52.3 Ų | 52.3 | 20% | 0.197 | 27% | 0.267 | C | S | . | . | trans | -119.7 | 117.2 | 174 | -66.9 | 179.8 | -179.2 | 0 | 0 | 109.5 | H219 G220 K221 T224 M489 | M217-H219 PolarHBondContact O-N 3.43Å; M217-H219 VanDerWaalsContact O-N 3.09Å; M217-G220 PolarHBondContact O-N 3.47Å; M217-K221 HydrophobicContact CE-CG 4.27Å; M217-K221 HydrophobicContact SD-CB 4.36Å; M217-K221 HydrophobicContact SD-CG 3.89Å; M217-T224 HydrophobicContact SD-CG2 4.33Å; M217-M489 HydrophobicContact CE-CE 3.86Å | ||
| 218 | R | 87.9 | Confident | 85.2 | Confident | 80 Ų | 80 | 54.1 Ų | 54.1 | 30% | 0.302 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -42.1 | 179.8 | -170.5 | -165.7 | -179.9 | 83.9 | 4 | 113.3 | R240 M242 E244 | R218-R240 VanDerWaalsContact CD-O 3.25Å; R218-R240 WeakPolarHBondContact CD-O 3.17Å; R218-M242 VanDerWaalsContact CD-O 3.28Å; R218-M242 WeakPolarHBondContact CD-O 3.49Å; R218-M242 PolarHBondContact NH1-O 3.15Å; R218-E244 IonicContact CZ-OE2 3.73Å; R218-E244 VanDerWaalsContact CZ-OE2 3.25Å; R218-E244 IonicContact NH1-OE2 3.3Å; R218-E244 PolarHBondContact NH1-OE2 3.5Å; R218-E244 IonicContact NH2-OE2 3.55Å; R218-E244 PolarHBondContact NH2-OE2 3.07Å |
| 219 | H | 86.4 | Confident | 85 | Confident | 65 Ų | 65 | 52.6 Ų | 52.6 | 30% | 0.301 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 10.4 | -172.3 | -60.9 | -52.3 | 0 | 0 | 0 | 113.7 | M217 L223 R240 | M217-H219 PolarHBondContact O-N 3.43Å; M217-H219 VanDerWaalsContact O-N 3.09Å; H219-L223 HydrophobicContact CB-CB 3.43Å; H219-L223 VanDerWaalsContact CB-CB 3.43Å; H219-L223 HydrophobicContact CB-CD1 3.84Å; H219-L223 HydrophobicContact CB-CG 4.29Å; H219-R240 PolarHBondContact CD2-O 2.75Å; H219-R240 PolarHBondContact NE2-O 3.02Å |
| 220 | G | 86.3 | Confident | 84.8 | Confident | 32 Ų | 32 | 56 Ų | 56 | 33% | 0.33 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | 65 | 179.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | M217 L222 T224 | M217-G220 PolarHBondContact O-N 3.47Å; G220-L222 PolarHBondContact O-N 3.01Å; G220-T224 VanDerWaalsContact O-CB 3.28Å; G220-T224 WeakPolarHBondContact O-CB 3.17Å; G220-T224 PolarHBondContact O-N 2.98Å; G220-T224 VanDerWaalsContact O-N 3.1Å; G220-T224 PolarHBondContact O-OG1 3.2Å |
| 221 | K | 82.8 | Confident | 84.8 | Confident | 105 Ų | 105 | 57.2 Ų | 57.2 | 46% | 0.457 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.7 | -46.5 | -166.8 | -61 | -173.7 | -178.2 | -169.5 | 0 | 114 | R47 M217 M225 | R47-K221 PolarHBondContact O-NZ 3.46Å; M217-K221 HydrophobicContact CE-CG 4.27Å; M217-K221 HydrophobicContact SD-CB 4.36Å; M217-K221 HydrophobicContact SD-CG 3.89Å; K221-M225 HydrophobicContact CB-CE 4.42Å; K221-M225 WeakPolarHBondContact O-CB 3.24Å; K221-M225 WeakPolarHBondContact O-CE 3.41Å; K221-M225 VanDerWaalsContact O-CG 3.32Å; K221-M225 WeakPolarHBondContact O-CG 3.26Å; K221-M225 PolarHBondContact O-N 2.98Å |
| 222 | L | 84.1 | Confident | 84.9 | Confident | 142 Ų | 142 | 61.2 Ų | 61.2 | 74% | 0.743 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -65.4 | -50.2 | -172.6 | -68.4 | 174.7 | 0 | 0 | 0 | 112.6 | G220 M225 F226 | G220-L222 PolarHBondContact O-N 3.01Å; L222-M225 HydrophobicContact CD2-CE 3.8Å; L222-M225 WeakPolarHBondContact O-CB 3.49Å; L222-M225 PolarHBondContact O-N 3.31Å; L222-F226 PolarHBondContact O-N 3.16Å |
| 223 | L | 87.1 | Confident | 84.9 | Confident | 84 Ų | 84 | 62.3 Ų | 62.3 | 44% | 0.44 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -71.7 | -33.7 | 179.8 | -74.2 | 173.7 | 0 | 0 | 0 | 111.7 | H219 F226 V227 M239 | H219-L223 HydrophobicContact CB-CB 3.43Å; H219-L223 VanDerWaalsContact CB-CB 3.43Å; H219-L223 HydrophobicContact CB-CD1 3.84Å; H219-L223 HydrophobicContact CB-CG 4.29Å; L223-F226 WeakPolarHBondContact O-CB 3.43Å; L223-F226 PolarHBondContact O-N 3.02Å; L223-V227 WeakPolarHBondContact O-CG2 3.2Å; L223-V227 PolarHBondContact O-N 3.19Å; L223-M239 HydrophobicContact CB-CE 4.27Å; L223-M239 HydrophobicContact CD2-CE 4.19Å |
| 224 | T | 85.5 | Confident | 85.1 | Confident | 17 Ų | 17 | 61 Ų | 61 | 10% | 0.104 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 170.7 | -67.5 | 0 | 0 | 0 | 0 | 111.4 | M217 G220 F226 V227 F228 | M217-T224 HydrophobicContact SD-CG2 4.33Å; G220-T224 VanDerWaalsContact O-CB 3.28Å; G220-T224 WeakPolarHBondContact O-CB 3.17Å; G220-T224 PolarHBondContact O-N 2.98Å; G220-T224 VanDerWaalsContact O-N 3.1Å; G220-T224 PolarHBondContact O-OG1 3.2Å; T224-F226 VanDerWaalsContact C-N 3.3Å; T224-F226 PolarHBondContact O-N 2.9Å; T224-V227 PolarHBondContact O-N 3.41Å; T224-F228 HydrophobicContact CG2-CD2 3.77Å; T224-F228 HydrophobicContact CG2-CE2 3.46Å; T224-F228 VanDerWaalsContact CG2-CE2 3.46Å; T224-F228 WeakPolarHBondContact O-CD2 3.1Å; T224-F228 PolarHBondContact O-N 2.91Å; T224-F228 VanDerWaalsContact O-N 3.1Å |
| 225 | M | 83.1 | Confident | 85.4 | Confident | 44 Ų | 44 | 61.6 Ų | 61.6 | 22% | 0.217 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.3 | -41.2 | 172.8 | -75.6 | -176 | -68.2 | 0 | 0 | 111.5 | L76 K221 L222 V227 F228 S229 | L76-M225 HydrophobicContact CD1-CB 4.36Å; L76-M225 HydrophobicContact CD1-CG 4.19Å; K221-M225 HydrophobicContact CB-CE 4.42Å; K221-M225 WeakPolarHBondContact O-CB 3.24Å; K221-M225 WeakPolarHBondContact O-CE 3.41Å; K221-M225 VanDerWaalsContact O-CG 3.32Å; K221-M225 WeakPolarHBondContact O-CG 3.26Å; K221-M225 PolarHBondContact O-N 2.98Å; L222-M225 HydrophobicContact CD2-CE 3.8Å; L222-M225 WeakPolarHBondContact O-CB 3.49Å; L222-M225 PolarHBondContact O-N 3.31Å; M225-V227 PolarHBondContact O-N 3.1Å; M225-F228 PolarHBondContact O-N 3.21Å; M225-S229 WeakPolarHBondContact O-CB 3.34Å; M225-S229 PolarHBondContact O-N 3.5Å; M225-S229 PolarHBondContact O-OG 2.96Å |
| 226 | F | 86.8 | Confident | 85.9 | Confident | 58 Ų | 58 | 67.2 Ų | 67.2 | 25% | 0.254 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 174.9 | 174 | -95.8 | 0 | 0 | 0 | 112.8 | L222 L223 T224 S229 F230 L233 A234 L237 M239 | L222-F226 PolarHBondContact O-N 3.16Å; L223-F226 WeakPolarHBondContact O-CB 3.43Å; L223-F226 PolarHBondContact O-N 3.02Å; T224-F226 VanDerWaalsContact C-N 3.3Å; T224-F226 PolarHBondContact O-N 2.9Å; F226-S229 WeakPolarHBondContact O-CB 3.36Å; F226-S229 PolarHBondContact O-N 3.01Å; F226-F230 AromaticContact CD2-CD2 3.73Å; F226-F230 HydrophobicContact CD2-CD2 3.73Å; F226-F230 HydrophobicContact CD2-CE2 4.36Å; F226-F230 HydrophobicContact CE2-CB 4.36Å; F226-F230 AromaticContact CE2-CD2 3.84Å; F226-F230 HydrophobicContact CE2-CD2 3.84Å; F226-F230 HydrophobicContact CE2-CG 4.38Å; F226-F230 PolarHBondContact O-N 3.01Å; F226-L233 HydrophobicContact CE2-CD2 4.14Å; F226-L233 HydrophobicContact CZ-CD2 3.75Å; F226-L233 HydrophobicContact CZ-CG 4.03Å; F226-A234 HydrophobicContact CE1-CB 4.27Å; F226-L237 HydrophobicContact CE1-CD1 4.01Å; F226-L237 HydrophobicContact CZ-CD1 4Å; F226-M239 HydrophobicContact CD1-CE 4.34Å; F226-M239 HydrophobicContact CD1-SD 3.69Å; F226-M239 HydrophobicContact CE1-SD 3.66Å |
| 227 | V | 87.4 | Confident | 86.2 | Confident | 4 Ų | 4 | 68.7 Ų | 68.7 | 2% | 0.024 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.8 | -49 | 177.8 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | F106 L223 T224 M225 S229 F230 P231 A234 M239 | F106-V227 HydrophobicContact CB-CG1 4.25Å; F106-V227 HydrophobicContact CD1-CG1 3.8Å; F106-V227 HydrophobicContact CD2-CG1 3.75Å; F106-V227 HydrophobicContact CE1-CG1 4.04Å; F106-V227 HydrophobicContact CE2-CG1 3.98Å; F106-V227 HydrophobicContact CG-CG1 3.65Å; F106-V227 HydrophobicContact CZ-CG1 4.12Å; L223-V227 WeakPolarHBondContact O-CG2 3.2Å; L223-V227 PolarHBondContact O-N 3.19Å; T224-V227 PolarHBondContact O-N 3.41Å; M225-V227 PolarHBondContact O-N 3.1Å; V227-S229 PolarHBondContact O-N 3.13Å; V227-F230 CarbonylContact O-C 3.3Å; V227-F230 PolarHBondContact O-N 3.35Å; V227-P231 VanDerWaalsContact O-CA 3.31Å; V227-P231 WeakPolarHBondContact O-CA 3.35Å; V227-A234 HydrophobicContact CB-CB 4.29Å; V227-A234 HydrophobicContact CG1-CB 4.24Å; V227-A234 HydrophobicContact CG2-CB 4.03Å; V227-M239 HydrophobicContact CG2-CB 4.35Å; V227-M239 HydrophobicContact CG2-CE 3.66Å; V227-M239 HydrophobicContact CG2-SD 3.87Å |
| 228 | F | 82.1 | Confident | 86.5 | Confident | 52 Ų | 52 | 73.8 Ų | 73.8 | 23% | 0.228 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.2 | -35 | 175.3 | -76.6 | -62.6 | 0 | 0 | 0 | 111.8 | K78 T224 M225 M241 | K78-F228 WeakPolarHBondContact CE-O 3.18Å; K78-F228 PolarHBondContact NZ-O 3.41Å; T224-F228 HydrophobicContact CG2-CD2 3.77Å; T224-F228 HydrophobicContact CG2-CE2 3.46Å; T224-F228 VanDerWaalsContact CG2-CE2 3.46Å; T224-F228 WeakPolarHBondContact O-CD2 3.1Å; T224-F228 PolarHBondContact O-N 2.91Å; T224-F228 VanDerWaalsContact O-N 3.1Å; M225-F228 PolarHBondContact O-N 3.21Å; F228-M241 HydrophobicContact CZ-SD 4.34Å |
| 229 | S | 82.6 | Confident | 86.7 | Confident | 14 Ų | 14 | 71.2 Ų | 71.2 | 10% | 0.098 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -76.5 | -37.4 | -174.6 | -71.8 | 0 | 0 | 0 | 0 | 113.3 | H77 K78 M225 F226 V227 | H77-S229 WeakPolarHBondContact CE1-CA 3Å; H77-S229 WeakPolarHBondContact CE1-CB 3.37Å; H77-S229 PolarHBondContact CE1-O 3.17Å; H77-S229 PolarHBondContact CE1-OG 3.29Å; H77-S229 VanDerWaalsContact CE1-OG 3.25Å; H77-S229 WeakPolarHBondContact ND1-CB 3.26Å; H77-S229 PolarHBondContact ND1-OG 3.47Å; H77-S229 PolarHBondContact NE2-O 3.13Å; H77-S229 VanDerWaalsContact NE2-O 3.17Å; K78-S229 WeakPolarHBondContact CE-O 3.15Å; M225-S229 WeakPolarHBondContact O-CB 3.34Å; M225-S229 PolarHBondContact O-N 3.5Å; M225-S229 PolarHBondContact O-OG 2.96Å; F226-S229 WeakPolarHBondContact O-CB 3.36Å; F226-S229 PolarHBondContact O-N 3.01Å; V227-S229 PolarHBondContact O-N 3.13Å |
| 230 | F | 85.1 | Confident | 86.9 | Confident | 96 Ų | 96 | 70.2 Ų | 70.2 | 42% | 0.421 | 34% | 0.335 | S | S | . | . | trans | -135.4 | 61.5 | -174.7 | -56.7 | -81.2 | 0 | 0 | 0 | 110.8 | H77 F226 V227 K232 L233 A234 | H77-F230 AromaticContact CD2-CE1 3.82Å; H77-F230 AromaticContact CD2-CE2 3.92Å; H77-F230 AromaticContact CD2-CZ 3.33Å; H77-F230 WeakPolarHBondContact CD2-CZ 3.3Å; H77-F230 AromaticContact NE2-CD1 3.9Å; H77-F230 AromaticContact NE2-CE1 3.32Å; H77-F230 VanDerWaalsContact NE2-CE1 3.32Å; H77-F230 WeakPolarHBondContact NE2-CE1 3.4Å; H77-F230 AromaticContact NE2-CE2 3.54Å; H77-F230 AromaticContact NE2-CZ 3.13Å; H77-F230 WeakPolarHBondContact NE2-CZ 3.47Å; F226-F230 AromaticContact CD2-CD2 3.73Å; F226-F230 HydrophobicContact CD2-CD2 3.73Å; F226-F230 HydrophobicContact CD2-CE2 4.36Å; F226-F230 HydrophobicContact CE2-CB 4.36Å; F226-F230 AromaticContact CE2-CD2 3.84Å; F226-F230 HydrophobicContact CE2-CD2 3.84Å; F226-F230 HydrophobicContact CE2-CG 4.38Å; F226-F230 PolarHBondContact O-N 3.01Å; V227-F230 CarbonylContact O-C 3.3Å; V227-F230 PolarHBondContact O-N 3.35Å; F230-K232 VanDerWaalsContact C-N 3.29Å; F230-K232 PolarHBondContact O-N 2.98Å; F230-L233 HydrophobicContact CB-CB 3.97Å; F230-L233 PolarHBondContact O-N 3.48Å; F230-A234 PolarHBondContact O-N 3.4Å | ||
| 231 | P | 86.3 | Confident | 87 | Confident | 26 Ų | 26 | 70.7 Ų | 70.7 | 17% | 0.169 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.8 | -38 | -169.4 | 22.4 | -34.4 | 0 | 0 | 0 | 113 | K78 F106 V227 A234 S235 | K78-P231 VanDerWaalsContact NZ-CD 3.25Å; F106-P231 HydrophobicContact CB-CB 4.03Å; F106-P231 HydrophobicContact CD2-CB 3.81Å; F106-P231 HydrophobicContact CG-CB 4.43Å; V227-P231 VanDerWaalsContact O-CA 3.31Å; V227-P231 WeakPolarHBondContact O-CA 3.35Å; P231-A234 PolarHBondContact O-N 2.91Å; P231-S235 WeakPolarHBondContact O-CB 2.84Å; P231-S235 PolarHBondContact O-N 2.94Å |
| 232 | K | 86.1 | Confident | 87.4 | Confident | 159 Ų | 159 | 66.7 Ų | 66.7 | 69% | 0.691 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.6 | -39.4 | 175.7 | -67.6 | -175.4 | 177.5 | -177.7 | 0 | 112.5 | F230 R236 | F230-K232 VanDerWaalsContact C-N 3.29Å; F230-K232 PolarHBondContact O-N 2.98Å; K232-R236 WeakPolarHBondContact O-CG 3.5Å; K232-R236 PolarHBondContact O-N 3.12Å |
| 233 | L | 87.9 | Confident | 87.8 | Confident | 78 Ų | 78 | 60.4 Ų | 60.4 | 41% | 0.408 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -73.4 | -44 | 178.4 | -178.2 | 58.8 | 0 | 0 | 0 | 110.5 | F226 F230 S235 R236 L237 | F226-L233 HydrophobicContact CE2-CD2 4.14Å; F226-L233 HydrophobicContact CZ-CD2 3.75Å; F226-L233 HydrophobicContact CZ-CG 4.03Å; F230-L233 HydrophobicContact CB-CB 3.97Å; F230-L233 PolarHBondContact O-N 3.48Å; L233-S235 VanDerWaalsContact C-N 3.3Å; L233-S235 PolarHBondContact O-N 3.24Å; L233-R236 WeakPolarHBondContact O-CB 3.23Å; L233-R236 PolarHBondContact O-N 2.95Å; L233-R236 VanDerWaalsContact O-N 3.1Å; L233-L237 HydrophobicContact CD1-CD1 4.43Å; L233-L237 HydrophobicContact CD1-CG 4.4Å; L233-L237 HydrophobicContact CG-CD1 4.14Å; L233-L237 WeakPolarHBondContact O-CG 3.44Å; L233-L237 PolarHBondContact O-N 2.96Å |
| 234 | A | 90 | Very high | 88 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.1 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F106 F226 V227 F230 P231 L237 R238 M239 | F106-A234 HydrophobicContact CD2-CB 4.47Å; F106-A234 HydrophobicContact CE2-CB 3.93Å; F226-A234 HydrophobicContact CE1-CB 4.27Å; V227-A234 HydrophobicContact CB-CB 4.29Å; V227-A234 HydrophobicContact CG1-CB 4.24Å; V227-A234 HydrophobicContact CG2-CB 4.03Å; F230-A234 PolarHBondContact O-N 3.4Å; P231-A234 PolarHBondContact O-N 2.91Å; A234-L237 CarbonylContact O-C 3.56Å; A234-L237 PolarHBondContact O-N 2.96Å; A234-R238 PolarHBondContact O-N 2.9Å; A234-M239 HydrophobicContact CB-CB 4.32Å; A234-M239 HydrophobicContact CB-CG 4.45Å; A234-M239 HydrophobicContact CB-SD 3.96Å; A234-M239 WeakPolarHBondContact O-CB 3.36Å; A234-M239 PolarHBondContact O-N 3.37Å |
| 235 | S | 87.3 | Confident | 88.4 | Confident | 43 Ų | 43 | 61.4 Ų | 61.4 | 30% | 0.301 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 174.3 | 172.2 | 0 | 0 | 0 | 0 | 112 | P231 L233 L237 R238 | P231-S235 WeakPolarHBondContact O-CB 2.84Å; P231-S235 PolarHBondContact O-N 2.94Å; L233-S235 VanDerWaalsContact C-N 3.3Å; L233-S235 PolarHBondContact O-N 3.24Å; S235-L237 VanDerWaalsContact C-N 3.27Å; S235-L237 PolarHBondContact O-N 3.48Å; S235-R238 PolarHBondContact O-N 2.99Å |
| 236 | R | 89.3 | Confident | 88.9 | Confident | 199 Ų | 199 | 59.3 Ų | 59.3 | 75% | 0.751 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.2 | -33.5 | 174 | -73.1 | 175.6 | -174.7 | 174.9 | -0.2 | 113 | K232 L233 R238 | K232-R236 WeakPolarHBondContact O-CG 3.5Å; K232-R236 PolarHBondContact O-N 3.12Å; L233-R236 WeakPolarHBondContact O-CB 3.23Å; L233-R236 PolarHBondContact O-N 2.95Å; L233-R236 VanDerWaalsContact O-N 3.1Å; R236-R238 PolarHBondContact O-N 2.83Å |
| 237 | L | 91.5 | Very high | 89.2 | Confident | 105 Ų | 105 | 57.3 Ų | 57.3 | 55% | 0.55 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 5.8 | 174.4 | -66 | 175.2 | 0 | 0 | 0 | 113.2 | F226 L233 A234 S235 M239 | F226-L237 HydrophobicContact CE1-CD1 4.01Å; F226-L237 HydrophobicContact CZ-CD1 4Å; L233-L237 HydrophobicContact CD1-CD1 4.43Å; L233-L237 HydrophobicContact CD1-CG 4.4Å; L233-L237 HydrophobicContact CG-CD1 4.14Å; L233-L237 WeakPolarHBondContact O-CG 3.44Å; L233-L237 PolarHBondContact O-N 2.96Å; A234-L237 CarbonylContact O-C 3.56Å; A234-L237 PolarHBondContact O-N 2.96Å; S235-L237 VanDerWaalsContact C-N 3.27Å; S235-L237 PolarHBondContact O-N 3.48Å; L237-M239 HydrophobicContact CB-CG 4.11Å; L237-M239 PolarHBondContact O-N 3.16Å |
| 238 | R | 91.6 | Very high | 89.5 | Confident | 147 Ų | 147 | 61 Ų | 61 | 56% | 0.555 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 31 | 179.9 | -53.5 | -172.2 | -175.2 | 177.6 | 2.2 | 113.6 | D111 A234 S235 R236 | D111-R238 HydrophobicContact CB-CB 4.45Å; D111-R238 WeakPolarHBondContact OD2-CB 3.33Å; D111-R238 WeakPolarHBondContact OD2-CG 3.36Å; A234-R238 PolarHBondContact O-N 2.9Å; S235-R238 PolarHBondContact O-N 2.99Å; R236-R238 PolarHBondContact O-N 2.83Å |
| 239 | M | 91.4 | Very high | 90 | Very high | 25 Ų | 25 | 59.5 Ų | 59.5 | 12% | 0.123 | 28% | 0.275 | C | S | . | . | trans | -68.4 | 148 | 177.2 | -64.6 | -172.5 | 75.8 | 0 | 0 | 110.6 | N108 L223 F226 V227 A234 L237 | N108-M239 PolarHBondContact ND2-O 3.21Å; L223-M239 HydrophobicContact CB-CE 4.27Å; L223-M239 HydrophobicContact CD2-CE 4.19Å; F226-M239 HydrophobicContact CD1-CE 4.34Å; F226-M239 HydrophobicContact CD1-SD 3.69Å; F226-M239 HydrophobicContact CE1-SD 3.66Å; V227-M239 HydrophobicContact CG2-CB 4.35Å; V227-M239 HydrophobicContact CG2-CE 3.66Å; V227-M239 HydrophobicContact CG2-SD 3.87Å; A234-M239 HydrophobicContact CB-CB 4.32Å; A234-M239 HydrophobicContact CB-CG 4.45Å; A234-M239 HydrophobicContact CB-SD 3.96Å; A234-M239 WeakPolarHBondContact O-CB 3.36Å; A234-M239 PolarHBondContact O-N 3.37Å; L237-M239 HydrophobicContact CB-CG 4.11Å; L237-M239 PolarHBondContact O-N 3.16Å | ||
| 240 | R | 91.2 | Very high | 90.5 | Very high | 44 Ų | 44 | 58.9 Ų | 58.9 | 17% | 0.166 | 27% | 0.27 | C | S | . | . | trans | -114.3 | 138.8 | 176.4 | -59.2 | -179.2 | 62.5 | -170.4 | -4.7 | 108.7 | D111 D112 R218 H219 E244 H247 | D111-R240 HydrophobicContact CB-CG 4.38Å; D111-R240 WeakPolarHBondContact O-CD 3.32Å; D111-R240 WeakPolarHBondContact O-CG 3.47Å; D111-R240 PolarHBondContact O-NE 2.9Å; D112-R240 HydrophobicContact CB-CB 4.09Å; D112-R240 HydrophobicContact CB-CG 4.05Å; R218-R240 VanDerWaalsContact CD-O 3.25Å; R218-R240 WeakPolarHBondContact CD-O 3.17Å; H219-R240 PolarHBondContact CD2-O 2.75Å; H219-R240 PolarHBondContact NE2-O 3.02Å; R240-E244 IonicContact CZ-OE1 3.08Å; R240-E244 IonicContact CZ-OE2 2.88Å; R240-E244 VanDerWaalsContact NH1-CD 3.34Å; R240-E244 IonicContact NH1-OE1 2.75Å; R240-E244 PolarHBondContact NH1-OE1 2.72Å; R240-E244 VanDerWaalsContact NH1-OE1 3.15Å; R240-E244 IonicContact NH1-OE2 3.9Å; R240-E244 PolarHBondContact NH1-OE2 3.43Å; R240-E244 IonicContact NH2-OE1 3.5Å; R240-E244 PolarHBondContact NH2-OE1 2.78Å; R240-E244 IonicContact NH2-OE2 2.84Å; R240-E244 PolarHBondContact NH2-OE2 3.46Å; R240-H247 PolarHBondContact NH2-CD2 2.87Å; R240-H247 PolarHBondContact NH2-ND1 3.28Å; R240-H247 PolarHBondContact NH2-NE2 2.68Å | ||
| 241 | M | 89.1 | Confident | 90.9 | Very high | 43 Ų | 43 | 55.6 Ų | 55.6 | 21% | 0.212 | 26% | 0.256 | C | S | . | . | trans | -95.4 | -36.1 | 177.7 | -171.6 | 168.6 | 65.2 | 0 | 0 | 111.4 | F106 D112 T115 F228 | F106-M241 HydrophobicContact CD1-CB 4.2Å; F106-M241 HydrophobicContact CD1-CE 4.28Å; F106-M241 HydrophobicContact CD1-SD 4.14Å; F106-M241 HydrophobicContact CE1-CB 4.01Å; D112-M241 WeakPolarHBondContact OD2-CA 3.48Å; D112-M241 PolarHBondContact OD2-N 2.77Å; T115-M241 HydrophobicContact CG2-CB 4.31Å; T115-M241 HydrophobicContact CG2-CE 4.04Å; F228-M241 HydrophobicContact CZ-SD 4.34Å | ||
| 242 | M | 91.1 | Very high | 91.2 | Very high | 20 Ų | 20 | 61.2 Ų | 61.2 | 10% | 0.099 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -73.1 | 135.4 | -176.2 | -68.3 | -62 | 93.9 | 0 | 0 | 112.9 | D112 L114 T115 R218 F305 | D112-M242 PolarHBondContact OD2-N 3.37Å; L114-M242 HydrophobicContact CB-CG 4.11Å; T115-M242 HydrophobicContact CG2-CG 4.3Å; R218-M242 VanDerWaalsContact CD-O 3.28Å; R218-M242 WeakPolarHBondContact CD-O 3.49Å; R218-M242 PolarHBondContact NH1-O 3.15Å; M242-F305 HydrophobicContact SD-CE1 4Å; M242-F305 HydrophobicContact SD-CE2 4.25Å; M242-F305 HydrophobicContact SD-CZ 3.51Å; M242-F305 VanDerWaalsContact SD-CZ 3.51Å |
| 243 | P | 92.1 | Very high | 91.4 | Very high | 10 Ų | 10 | 54.6 Ų | 54.6 | 7% | 0.065 | 25% | 0.246 | C | C | . | . | trans | -51.3 | 142.5 | 166 | -25.1 | 35 | 0 | 0 | 0 | 111.2 | D216 D245 V246 H247 | D216-P243 HydrophobicContact CB-CG 4.24Å; P243-D245 VanDerWaalsContact CB-OD1 3.28Å; P243-D245 WeakPolarHBondContact CB-OD1 3.37Å; P243-D245 PolarHBondContact O-N 2.96Å; P243-V246 HydrophobicContact CB-CB 4.19Å; P243-V246 HydrophobicContact CB-CG2 3.96Å; P243-V246 HydrophobicContact CG-CG2 4.23Å; P243-V246 PolarHBondContact O-N 3.49Å; P243-H247 WeakPolarHBondContact O-CB 3.2Å; P243-H247 PolarHBondContact O-N 3.44Å | ||
| 244 | E | 91.7 | Very high | 91.5 | Very high | 65 Ų | 65 | 50.9 Ų | 50.9 | 30% | 0.304 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.6 | -42.7 | -171.8 | -169.7 | 61 | -143.1 | 0 | 0 | 112.3 | R218 R240 H247 Q248 | R218-E244 IonicContact CZ-OE2 3.73Å; R218-E244 VanDerWaalsContact CZ-OE2 3.25Å; R218-E244 IonicContact NH1-OE2 3.3Å; R218-E244 PolarHBondContact NH1-OE2 3.5Å; R218-E244 IonicContact NH2-OE2 3.55Å; R218-E244 PolarHBondContact NH2-OE2 3.07Å; R240-E244 IonicContact CZ-OE1 3.08Å; R240-E244 IonicContact CZ-OE2 2.88Å; R240-E244 VanDerWaalsContact NH1-CD 3.34Å; R240-E244 IonicContact NH1-OE1 2.75Å; R240-E244 PolarHBondContact NH1-OE1 2.72Å; R240-E244 VanDerWaalsContact NH1-OE1 3.15Å; R240-E244 IonicContact NH1-OE2 3.9Å; R240-E244 PolarHBondContact NH1-OE2 3.43Å; R240-E244 IonicContact NH2-OE1 3.5Å; R240-E244 PolarHBondContact NH2-OE1 2.78Å; R240-E244 IonicContact NH2-OE2 2.84Å; R240-E244 PolarHBondContact NH2-OE2 3.46Å; E244-H247 WeakPolarHBondContact O-CB 3.39Å; E244-H247 PolarHBondContact O-N 3.32Å; E244-H247 IonicContact OE1-CD2 2.66Å; E244-Q248 HydrophobicContact CG-CG 4.33Å; E244-Q248 VanDerWaalsContact O-CG 3.28Å; E244-Q248 WeakPolarHBondContact O-CG 3.47Å; E244-Q248 PolarHBondContact O-N 3.06Å; E244-Q248 PolarHBondContact OE1-NE2 2.88Å |
| 245 | D | 93.1 | Very high | 91.5 | Very high | 57 Ų | 57 | 54.4 Ų | 54.4 | 31% | 0.305 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.8 | -44.7 | 177.8 | 56.3 | -17.5 | 0 | 0 | 0 | 112.1 | M209 K212 P243 H247 Q248 F249 | M209-D245 HydrophobicContact SD-CB 4.36Å; K212-D245 WeakPolarHBondContact CD-OD2 3.4Å; K212-D245 IonicContact NZ-OD2 3.48Å; K212-D245 PolarHBondContact NZ-OD2 3.13Å; P243-D245 VanDerWaalsContact CB-OD1 3.28Å; P243-D245 WeakPolarHBondContact CB-OD1 3.37Å; P243-D245 PolarHBondContact O-N 2.96Å; D245-H247 VanDerWaalsContact C-N 3.35Å; D245-H247 PolarHBondContact O-N 3.16Å; D245-Q248 PolarHBondContact O-N 3.2Å; D245-F249 VanDerWaalsContact O-CB 3.32Å; D245-F249 WeakPolarHBondContact O-CB 3.35Å; D245-F249 PolarHBondContact O-N 3.02Å |
| 246 | V | 92.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 173 | 175.7 | 0 | 0 | 0 | 0 | 110.3 | M209 K212 V213 P243 Q248 F249 F250 F305 | M209-V246 HydrophobicContact SD-CG2 4.24Å; K212-V246 HydrophobicContact CB-CG2 3.87Å; V213-V246 HydrophobicContact CG2-CG1 3.84Å; P243-V246 HydrophobicContact CB-CB 4.19Å; P243-V246 HydrophobicContact CB-CG2 3.96Å; P243-V246 HydrophobicContact CG-CG2 4.23Å; P243-V246 PolarHBondContact O-N 3.49Å; V246-Q248 PolarHBondContact O-N 2.95Å; V246-F249 PolarHBondContact O-N 3.05Å; V246-F250 HydrophobicContact CG1-CD2 3.91Å; V246-F250 HydrophobicContact CG1-CE2 3.94Å; V246-F250 WeakPolarHBondContact O-CD2 3.48Å; V246-F250 PolarHBondContact O-N 2.97Å; V246-F250 VanDerWaalsContact O-N 3.16Å; V246-F305 HydrophobicContact CG1-CE2 3.93Å |
| 247 | H | 93.3 | Very high | 91.5 | Very high | 17 Ų | 17 | 48.6 Ų | 48.6 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.5 | -52.4 | 177.8 | 174.3 | 87.8 | 0 | 0 | 0 | 112.1 | L114 R240 P243 E244 D245 F249 F250 M251 | L114-H247 HydrophobicContact CD1-CB 4.36Å; R240-H247 PolarHBondContact NH2-CD2 2.87Å; R240-H247 PolarHBondContact NH2-ND1 3.28Å; R240-H247 PolarHBondContact NH2-NE2 2.68Å; P243-H247 WeakPolarHBondContact O-CB 3.2Å; P243-H247 PolarHBondContact O-N 3.44Å; E244-H247 WeakPolarHBondContact O-CB 3.39Å; E244-H247 PolarHBondContact O-N 3.32Å; E244-H247 IonicContact OE1-CD2 2.66Å; D245-H247 VanDerWaalsContact C-N 3.35Å; D245-H247 PolarHBondContact O-N 3.16Å; H247-F249 VanDerWaalsContact C-N 3.28Å; H247-F249 PolarHBondContact O-N 2.81Å; H247-F250 PolarHBondContact O-N 3.46Å; H247-M251 WeakPolarHBondContact O-CB 3.39Å; H247-M251 VanDerWaalsContact O-CG 3.26Å; H247-M251 WeakPolarHBondContact O-CG 3.36Å; H247-M251 PolarHBondContact O-N 3.4Å |
| 248 | Q | 93.9 | Very high | 91.3 | Very high | 80 Ų | 80 | 44.2 Ų | 44.2 | 37% | 0.374 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.7 | -34.3 | -179.2 | -66.3 | -58.7 | -30.4 | 0 | 0 | 112.1 | E244 D245 V246 R252 | E244-Q248 HydrophobicContact CG-CG 4.33Å; E244-Q248 VanDerWaalsContact O-CG 3.28Å; E244-Q248 WeakPolarHBondContact O-CG 3.47Å; E244-Q248 PolarHBondContact O-N 3.06Å; E244-Q248 PolarHBondContact OE1-NE2 2.88Å; D245-Q248 PolarHBondContact O-N 3.2Å; V246-Q248 PolarHBondContact O-N 2.95Å; Q248-R252 VanDerWaalsContact O-CB 3.3Å; Q248-R252 WeakPolarHBondContact O-CB 3.32Å; Q248-R252 VanDerWaalsContact O-CG 3.25Å; Q248-R252 WeakPolarHBondContact O-CG 3.5Å; Q248-R252 PolarHBondContact O-N 2.92Å; Q248-R252 PolarHBondContact O-NE 2.77Å; Q248-R252 VanDerWaalsContact O-NE 3.17Å |
| 249 | F | 92.8 | Very high | 91.1 | Very high | 22 Ų | 22 | 39.8 Ų | 39.8 | 10% | 0.096 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62 | -56.6 | 176.5 | 175.8 | -99.5 | 0 | 0 | 0 | 111.8 | D205 F206 M209 D245 V246 H247 M251 R252 L253 | D205-F249 HydrophobicContact CB-CD2 4.33Å; D205-F249 HydrophobicContact CB-CE2 3.68Å; D205-F249 HydrophobicContact CB-CZ 4.37Å; F206-F249 HydrophobicContact CD1-CE1 4.09Å; F206-F249 AromaticContact CD1-CZ 3.9Å; F206-F249 HydrophobicContact CD1-CZ 3.9Å; F206-F249 AromaticContact CD2-CZ 3.99Å; F206-F249 HydrophobicContact CD2-CZ 3.99Å; F206-F249 HydrophobicContact CE1-CE1 4.23Å; F206-F249 HydrophobicContact CE1-CZ 4.03Å; F206-F249 HydrophobicContact CE2-CZ 4.11Å; F206-F249 HydrophobicContact CG-CE1 4.47Å; F206-F249 AromaticContact CG-CZ 3.9Å; F206-F249 HydrophobicContact CG-CZ 3.9Å; F206-F249 HydrophobicContact CZ-CZ 4.14Å; M209-F249 HydrophobicContact CB-CD1 3.87Å; M209-F249 HydrophobicContact CB-CE1 4.25Å; M209-F249 HydrophobicContact CB-CG 4.18Å; M209-F249 HydrophobicContact CG-CB 3.92Å; M209-F249 HydrophobicContact CG-CD1 3.88Å; M209-F249 HydrophobicContact CG-CD2 4.01Å; M209-F249 HydrophobicContact CG-CE1 4.42Å; M209-F249 HydrophobicContact CG-CG 3.66Å; M209-F249 HydrophobicContact SD-CB 4.38Å; D245-F249 VanDerWaalsContact O-CB 3.32Å; D245-F249 WeakPolarHBondContact O-CB 3.35Å; D245-F249 PolarHBondContact O-N 3.02Å; V246-F249 PolarHBondContact O-N 3.05Å; H247-F249 VanDerWaalsContact C-N 3.28Å; H247-F249 PolarHBondContact O-N 2.81Å; F249-M251 VanDerWaalsContact C-N 3.35Å; F249-M251 PolarHBondContact O-N 3.46Å; F249-R252 PolarHBondContact O-N 2.8Å; F249-L253 HydrophobicContact CE1-CD2 4.31Å; F249-L253 VanDerWaalsContact O-CB 3.29Å; F249-L253 WeakPolarHBondContact O-CB 3.25Å; F249-L253 PolarHBondContact O-N 3.17Å |
| 250 | F | 92.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.4 | -33.9 | -176.9 | -76.3 | -79.4 | 0 | 0 | 0 | 112.9 | L114 V246 H247 L253 V254 V304 F305 Y308 | L114-F250 HydrophobicContact CD1-CB 3.98Å; L114-F250 HydrophobicContact CD1-CD2 4.42Å; L114-F250 HydrophobicContact CD2-CB 4.18Å; V246-F250 HydrophobicContact CG1-CD2 3.91Å; V246-F250 HydrophobicContact CG1-CE2 3.94Å; V246-F250 WeakPolarHBondContact O-CD2 3.48Å; V246-F250 PolarHBondContact O-N 2.97Å; V246-F250 VanDerWaalsContact O-N 3.16Å; H247-F250 PolarHBondContact O-N 3.46Å; F250-L253 HydrophobicContact CD1-CD2 4.21Å; F250-L253 HydrophobicContact CE1-CD2 4.5Å; F250-V254 WeakPolarHBondContact O-CB 3.19Å; F250-V254 VanDerWaalsContact O-CG2 3.23Å; F250-V254 WeakPolarHBondContact O-CG2 3.21Å; F250-V254 PolarHBondContact O-N 3.41Å; F250-V304 HydrophobicContact CD1-CG1 4.46Å; F250-F305 HydrophobicContact CD1-CB 4.21Å; F250-F305 HydrophobicContact CD1-CD2 4.32Å; 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 4.35Å; F250-F305 AromaticContact CE2-CD2 3.59Å; F250-F305 HydrophobicContact CE2-CD2 3.59Å; F250-F305 HydrophobicContact CE2-CE2 4.02Å; F250-F305 HydrophobicContact CG-CB 4.22Å; F250-F305 AromaticContact CG-CD2 3.94Å; F250-F305 HydrophobicContact CG-CD2 3.94Å; F250-F305 HydrophobicContact CZ-CD2 4.02Å; F250-Y308 AromaticContact CE1-CD1 3.79Å; F250-Y308 HydrophobicContact CE1-CD1 3.79Å; F250-Y308 AromaticContact CE1-CG 4Å; F250-Y308 HydrophobicContact CE1-CG 4Å; F250-Y308 AromaticContact CZ-CD1 3.43Å; F250-Y308 HydrophobicContact CZ-CD1 3.43Å; F250-Y308 VanDerWaalsContact CZ-CD1 3.43Å; F250-Y308 AromaticContact CZ-CE1 3.91Å; F250-Y308 HydrophobicContact CZ-CE1 3.91Å; F250-Y308 HydrophobicContact CZ-CG 4.12Å |
| 251 | M | 93.9 | Very high | 90.5 | Very high | 27 Ų | 27 | 40.6 Ų | 40.6 | 13% | 0.133 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.3 | -45.3 | 173.5 | -69.8 | -58.9 | -61.1 | 0 | 0 | 111.5 | L114 H247 F249 N255 A301 | L114-M251 HydrophobicContact CD2-SD 4.24Å; H247-M251 WeakPolarHBondContact O-CB 3.39Å; H247-M251 VanDerWaalsContact O-CG 3.26Å; H247-M251 WeakPolarHBondContact O-CG 3.36Å; H247-M251 PolarHBondContact O-N 3.4Å; F249-M251 VanDerWaalsContact C-N 3.35Å; F249-M251 PolarHBondContact O-N 3.46Å; M251-N255 PolarHBondContact O-N 2.88Å; M251-N255 PolarHBondContact O-ND2 3.29Å; M251-A301 HydrophobicContact SD-CB 3.5Å; M251-A301 VanDerWaalsContact SD-CB 3.5Å |
| 252 | R | 92.9 | Very high | 90.3 | Very high | 145 Ų | 145 | 44.1 Ų | 44.1 | 55% | 0.547 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65 | -48.8 | 176.9 | -76.2 | -177 | -66.1 | -179.1 | 3.8 | 111.8 | Q248 F249 V254 N255 D256 | Q248-R252 VanDerWaalsContact O-CB 3.3Å; Q248-R252 WeakPolarHBondContact O-CB 3.32Å; Q248-R252 VanDerWaalsContact O-CG 3.25Å; Q248-R252 WeakPolarHBondContact O-CG 3.5Å; Q248-R252 PolarHBondContact O-N 2.92Å; Q248-R252 PolarHBondContact O-NE 2.77Å; Q248-R252 VanDerWaalsContact O-NE 3.17Å; F249-R252 PolarHBondContact O-N 2.8Å; R252-V254 PolarHBondContact O-N 3.47Å; R252-V254 VanDerWaalsContact O-N 3.13Å; R252-N255 PolarHBondContact O-N 3.34Å; R252-D256 WeakPolarHBondContact O-CB 3.28Å; R252-D256 PolarHBondContact O-N 2.74Å |
| 253 | L | 89.5 | Confident | 90.1 | Very high | 20 Ų | 20 | 52 Ų | 52 | 11% | 0.105 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -47.8 | -47.8 | 178.2 | 174.2 | 63.5 | 0 | 0 | 0 | 112.2 | I194 F206 F249 F250 T257 V304 | I194-L253 HydrophobicContact CD1-CD1 3.59Å; I194-L253 HydrophobicContact CD1-CG 4.48Å; F206-L253 HydrophobicContact CE1-CD1 4.31Å; F206-L253 HydrophobicContact CE1-CD2 3.58Å; F206-L253 HydrophobicContact CE2-CD1 4.41Å; F206-L253 HydrophobicContact CZ-CD1 3.58Å; F206-L253 HydrophobicContact CZ-CD2 3.75Å; F206-L253 HydrophobicContact CZ-CG 4.32Å; F249-L253 HydrophobicContact CE1-CD2 4.31Å; F249-L253 VanDerWaalsContact O-CB 3.29Å; F249-L253 WeakPolarHBondContact O-CB 3.25Å; F249-L253 PolarHBondContact O-N 3.17Å; F250-L253 HydrophobicContact CD1-CD2 4.21Å; F250-L253 HydrophobicContact CE1-CD2 4.5Å; L253-T257 VanDerWaalsContact O-CB 3.28Å; L253-T257 WeakPolarHBondContact O-CB 3.5Å; L253-T257 PolarHBondContact O-N 3.2Å; L253-T257 PolarHBondContact O-OG1 2.88Å; L253-V304 HydrophobicContact CD2-CG1 4.45Å |
| 254 | V | 90.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.9 | -46.2 | -178.5 | 167.1 | 0 | 0 | 0 | 0 | 111.6 | F250 R252 T257 I258 M272 I297 L300 A301 V304 | F250-V254 WeakPolarHBondContact O-CB 3.19Å; F250-V254 VanDerWaalsContact O-CG2 3.23Å; F250-V254 WeakPolarHBondContact O-CG2 3.21Å; F250-V254 PolarHBondContact O-N 3.41Å; R252-V254 PolarHBondContact O-N 3.47Å; R252-V254 VanDerWaalsContact O-N 3.13Å; V254-T257 PolarHBondContact O-N 3.34Å; V254-I258 HydrophobicContact CG1-CD1 3.87Å; V254-I258 VanDerWaalsContact O-CG1 3.28Å; V254-I258 WeakPolarHBondContact O-CG1 3.49Å; V254-I258 PolarHBondContact O-N 2.81Å; V254-M272 HydrophobicContact CG2-CE 4.49Å; V254-I297 HydrophobicContact CG1-CD1 3.65Å; V254-I297 HydrophobicContact CG1-CG1 4.48Å; V254-L300 HydrophobicContact CB-CD2 4.42Å; V254-L300 HydrophobicContact CG1-CD2 3.36Å; V254-L300 HydrophobicContact CG2-CD2 4.21Å; V254-A301 HydrophobicContact CB-CB 4.28Å; V254-A301 HydrophobicContact CG1-CB 4.39Å; V254-A301 HydrophobicContact CG2-CB 3.96Å; V254-V304 HydrophobicContact CG2-CB 3.98Å; V254-V304 HydrophobicContact CG2-CG1 3.98Å; V254-V304 HydrophobicContact CG2-CG2 4.01Å |
| 255 | N | 91.1 | Very high | 89.1 | Confident | 73 Ų | 73 | 60 Ų | 60 | 39% | 0.39 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 177.4 | -77.8 | -57.6 | 0 | 0 | 0 | 111.6 | M251 R252 T257 I258 A259 I297 | M251-N255 PolarHBondContact O-N 2.88Å; M251-N255 PolarHBondContact O-ND2 3.29Å; R252-N255 PolarHBondContact O-N 3.34Å; N255-T257 VanDerWaalsContact C-N 3.34Å; N255-T257 PolarHBondContact O-N 2.95Å; N255-I258 PolarHBondContact O-N 2.55Å; N255-A259 WeakPolarHBondContact O-CB 3.34Å; N255-A259 PolarHBondContact O-N 3.14Å; N255-I297 WeakPolarHBondContact OD1-CG1 3.48Å |
| 256 | D | 89.6 | Confident | 88.2 | Confident | 106 Ų | 106 | 61.2 Ų | 61.2 | 57% | 0.567 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.3 | -40.8 | -179.4 | -63.3 | -19.7 | 0 | 0 | 0 | 110.9 | R252 A259 L260 | R252-D256 WeakPolarHBondContact O-CB 3.28Å; R252-D256 PolarHBondContact O-N 2.74Å; D256-A259 PolarHBondContact O-N 3.39Å; D256-L260 VanDerWaalsContact O-CB 3.23Å; D256-L260 WeakPolarHBondContact O-CB 3.37Å; D256-L260 PolarHBondContact O-N 3.18Å |
| 257 | T | 87.1 | Confident | 87.2 | Confident | 14 Ų | 14 | 68.5 Ų | 68.5 | 9% | 0.086 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 177.7 | -57.8 | 0 | 0 | 0 | 0 | 112 | L253 V254 N255 R261 M272 | L253-T257 VanDerWaalsContact O-CB 3.28Å; L253-T257 WeakPolarHBondContact O-CB 3.5Å; L253-T257 PolarHBondContact O-N 3.2Å; L253-T257 PolarHBondContact O-OG1 2.88Å; V254-T257 PolarHBondContact O-N 3.34Å; N255-T257 VanDerWaalsContact C-N 3.34Å; N255-T257 PolarHBondContact O-N 2.95Å; T257-R261 WeakPolarHBondContact O-CG 3.29Å; T257-R261 PolarHBondContact O-N 3.23Å; T257-R261 VanDerWaalsContact O-N 3.14Å; T257-M272 HydrophobicContact CG2-CE 4.06Å; T257-M272 HydrophobicContact CG2-CG 3.83Å; T257-M272 HydrophobicContact CG2-SD 4.34Å |
| 258 | I | 86.6 | Confident | 86.2 | Confident | 13 Ų | 13 | 71.4 Ų | 71.4 | 7% | 0.067 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.3 | -50.2 | 176.4 | -69.7 | 169.2 | 0 | 0 | 0 | 109.8 | V254 N255 L260 R261 E262 I276 I297 L300 | V254-I258 HydrophobicContact CG1-CD1 3.87Å; V254-I258 VanDerWaalsContact O-CG1 3.28Å; V254-I258 WeakPolarHBondContact O-CG1 3.49Å; V254-I258 PolarHBondContact O-N 2.81Å; N255-I258 PolarHBondContact O-N 2.55Å; I258-L260 VanDerWaalsContact C-N 3.29Å; I258-L260 PolarHBondContact O-N 3.34Å; I258-R261 PolarHBondContact O-N 3.49Å; I258-E262 HydrophobicContact CG2-CG 4.31Å; I258-E262 WeakPolarHBondContact O-CB 3.23Å; I258-E262 WeakPolarHBondContact O-CG 3.37Å; I258-E262 PolarHBondContact O-N 3.1Å; I258-I276 HydrophobicContact CG1-CD1 4.08Å; I258-I276 HydrophobicContact CG1-CG1 4.02Å; I258-I297 HydrophobicContact CD1-CD1 3.49Å; I258-I297 VanDerWaalsContact CD1-CD1 3.49Å; I258-L300 HydrophobicContact CD1-CD1 4.27Å; I258-L300 HydrophobicContact CD1-CD2 4.48Å |
| 259 | A | 87.8 | Confident | 85 | Confident | 55 Ų | 55 | 73 Ų | 73 | 46% | 0.455 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.9 | -41 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | N255 D256 R263 | N255-A259 WeakPolarHBondContact O-CB 3.34Å; N255-A259 PolarHBondContact O-N 3.14Å; D256-A259 PolarHBondContact O-N 3.39Å; A259-R263 VanDerWaalsContact O-CB 3.25Å; A259-R263 WeakPolarHBondContact O-CB 3.47Å; A259-R263 PolarHBondContact O-N 2.94Å |
| 260 | L | 85.6 | Confident | 84.4 | Confident | 67 Ų | 67 | 72.6 Ų | 72.6 | 35% | 0.351 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.4 | -49.6 | 176.3 | -177.9 | 67 | 0 | 0 | 0 | 111.9 | D256 I258 R263 E264 F266 | D256-L260 VanDerWaalsContact O-CB 3.23Å; D256-L260 WeakPolarHBondContact O-CB 3.37Å; D256-L260 PolarHBondContact O-N 3.18Å; I258-L260 VanDerWaalsContact C-N 3.29Å; I258-L260 PolarHBondContact O-N 3.34Å; L260-R263 VanDerWaalsContact CD1-NH2 3.29Å; L260-R263 PolarHBondContact O-N 3.47Å; L260-E264 VanDerWaalsContact CD1-CD 3.49Å; L260-E264 HydrophobicContact CD1-CG 4.29Å; L260-E264 WeakPolarHBondContact CD1-OE1 3.43Å; L260-E264 WeakPolarHBondContact O-CB 3.26Å; L260-E264 PolarHBondContact O-N 3Å; L260-F266 HydrophobicContact CG-CE1 4.49Å |
| 261 | R | 85.4 | Confident | 83.8 | Confident | 19 Ų | 19 | 73 Ų | 73 | 7% | 0.072 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.1 | -37.2 | -178.2 | -71.6 | 178.1 | -172.8 | -148.7 | -0.8 | 112.3 | F192 T257 I258 N265 F266 D270 | F192-R261 PolarHBondContact O-NH2 2.9Å; T257-R261 WeakPolarHBondContact O-CG 3.29Å; T257-R261 PolarHBondContact O-N 3.23Å; T257-R261 VanDerWaalsContact O-N 3.14Å; I258-R261 PolarHBondContact O-N 3.49Å; R261-N265 WeakPolarHBondContact O-CA 3.29Å; R261-N265 PolarHBondContact O-N 3.49Å; R261-F266 HydrophobicContact CG-CE1 4.09Å; R261-F266 HydrophobicContact CG-CE2 4.41Å; R261-F266 HydrophobicContact CG-CZ 3.9Å; R261-D270 IonicContact CZ-OD1 3.06Å; R261-D270 IonicContact CZ-OD2 3.47Å; R261-D270 IonicContact NH1-OD1 3.87Å; R261-D270 PolarHBondContact NH1-OD1 3.25Å; R261-D270 IonicContact NH1-OD2 3.16Å; R261-D270 PolarHBondContact NH1-OD2 2.94Å; R261-D270 IonicContact NH2-OD1 2.98Å; R261-D270 PolarHBondContact NH2-OD1 3.35Å; R261-D270 IonicContact NH2-OD2 3.31Å; R261-D270 PolarHBondContact NH2-OD2 3.08Å |
| 262 | E | 83.2 | Confident | 83.3 | Confident | 117 Ų | 117 | 71.7 Ų | 71.7 | 55% | 0.547 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 174.2 | -72.4 | 178.9 | 170 | 0 | 0 | 111.4 | I258 | I258-E262 HydrophobicContact CG2-CG 4.31Å; I258-E262 WeakPolarHBondContact O-CB 3.23Å; I258-E262 WeakPolarHBondContact O-CG 3.37Å; I258-E262 PolarHBondContact O-N 3.1Å |
| 263 | R | 86.6 | Confident | 82.8 | Confident | 184 Ų | 184 | 65.4 Ų | 65.4 | 69% | 0.694 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -66.3 | -45.3 | 178.1 | -175.3 | -175 | 72.5 | -177.8 | 3.2 | 112.8 | A259 L260 | A259-R263 VanDerWaalsContact O-CB 3.25Å; A259-R263 WeakPolarHBondContact O-CB 3.47Å; A259-R263 PolarHBondContact O-N 2.94Å; L260-R263 VanDerWaalsContact CD1-NH2 3.29Å; L260-R263 PolarHBondContact O-N 3.47Å |
| 264 | E | 84.6 | Confident | 82.2 | Confident | 99 Ų | 99 | 66.7 Ų | 66.7 | 46% | 0.463 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -91 | -4.9 | -173 | -69.4 | 178.9 | -172.2 | 0 | 0 | 113.2 | L260 F266 | L260-E264 VanDerWaalsContact CD1-CD 3.49Å; L260-E264 HydrophobicContact CD1-CG 4.29Å; L260-E264 WeakPolarHBondContact CD1-OE1 3.43Å; L260-E264 WeakPolarHBondContact O-CB 3.26Å; L260-E264 PolarHBondContact O-N 3Å; E264-F266 HydrophobicContact CB-CD1 3.61Å; E264-F266 HydrophobicContact CB-CE1 4.07Å; E264-F266 PolarHBondContact O-N 2.76Å; E264-F266 VanDerWaalsContact O-N 3.09Å; E264-F266 WeakPolarHBondContact OE2-CE1 3.3Å |
| 265 | N | 78.5 | Confident | 81.8 | Confident | 145 Ų | 145 | 66.7 Ų | 66.7 | 78% | 0.775 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 35 | 178 | -164.6 | 34 | 0 | 0 | 0 | 113.9 | R261 | R261-N265 WeakPolarHBondContact O-CA 3.29Å; R261-N265 PolarHBondContact O-N 3.49Å |
| 266 | F | 75.6 | Confident | 81.3 | Confident | 82 Ų | 82 | 63.8 Ų | 63.8 | 36% | 0.36 | 31% | 0.309 | S | S | . | . | trans | -105.5 | 144.9 | 175.3 | 81.5 | -87.7 | 0 | 0 | 0 | 110.8 | L260 R261 E264 R268 | L260-F266 HydrophobicContact CG-CE1 4.49Å; R261-F266 HydrophobicContact CG-CE1 4.09Å; R261-F266 HydrophobicContact CG-CE2 4.41Å; R261-F266 HydrophobicContact CG-CZ 3.9Å; E264-F266 HydrophobicContact CB-CD1 3.61Å; E264-F266 HydrophobicContact CB-CE1 4.07Å; E264-F266 PolarHBondContact O-N 2.76Å; E264-F266 VanDerWaalsContact O-N 3.09Å; E264-F266 WeakPolarHBondContact OE2-CE1 3.3Å; F266-R268 HydrophobicContact CE2-CB 4.33Å | ||
| 267 | K | 71.2 | Confident | 80.8 | Confident | 153 Ų | 153 | 61.4 Ų | 61.4 | 67% | 0.665 | 29% | 0.294 | S | S | * | . | trans | -113.8 | 127.8 | 173.7 | -68.1 | -176.1 | 179.2 | -175.3 | 0 | 109.1 | ||||
| 268 | R | 71.6 | Confident | 80.3 | Confident | 79 Ų | 79 | 61.4 Ų | 61.4 | 30% | 0.298 | 29% | 0.294 | S | S | . | . | trans | -109.5 | 132.3 | 169.4 | -174.6 | 171 | 176.4 | 162.2 | 2.9 | 107.9 | T189 G193 F266 D270 N273 | T189-R268 PolarHBondContact O-NH2 3.22Å; G193-R268 VanDerWaalsContact C-NH1 3.32Å; G193-R268 VanDerWaalsContact CA-NH1 3.32Å; G193-R268 PolarHBondContact O-NH1 2.77Å; F266-R268 HydrophobicContact CE2-CB 4.33Å; R268-D270 WeakPolarHBondContact CB-OD2 3.25Å; R268-D270 VanDerWaalsContact CD-OD2 3.29Å; R268-D270 WeakPolarHBondContact CD-OD2 3.28Å; R268-D270 HydrophobicContact CG-CB 4.29Å; R268-D270 VanDerWaalsContact CG-OD2 3.31Å; R268-D270 WeakPolarHBondContact CG-OD2 3.11Å; R268-D270 IonicContact NE-OD2 2.84Å; R268-D270 PolarHBondContact O-N 2.96Å; R268-N273 WeakPolarHBondContact O-CB 3.42Å | ||
| 269 | N | 69.8 | Low | 79.8 | Confident | 112 Ų | 112 | 64.6 Ų | 64.6 | 60% | 0.599 | 31% | 0.307 | S | S | * | . | trans | -77.2 | 63.1 | -178.9 | -73.1 | -39 | 0 | 0 | 0 | 111.5 | F144 | F144-N269 HydrophobicContact CE1-CB 3.62Å; F144-N269 HydrophobicContact CZ-CB 3.75Å | ||
| 270 | D | 78.8 | Confident | 79.1 | Confident | 14 Ų | 14 | 67.5 Ų | 67.5 | 8% | 0.075 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -118.3 | 177.1 | -178.6 | 59.6 | 31.3 | 0 | 0 | 0 | 112.3 | R261 R268 M272 N273 L274 | R261-D270 IonicContact CZ-OD1 3.06Å; R261-D270 IonicContact CZ-OD2 3.47Å; R261-D270 IonicContact NH1-OD1 3.87Å; R261-D270 PolarHBondContact NH1-OD1 3.25Å; R261-D270 IonicContact NH1-OD2 3.16Å; R261-D270 PolarHBondContact NH1-OD2 2.94Å; R261-D270 IonicContact NH2-OD1 2.98Å; R261-D270 PolarHBondContact NH2-OD1 3.35Å; R261-D270 IonicContact NH2-OD2 3.31Å; R261-D270 PolarHBondContact NH2-OD2 3.08Å; R268-D270 WeakPolarHBondContact CB-OD2 3.25Å; R268-D270 VanDerWaalsContact CD-OD2 3.29Å; R268-D270 WeakPolarHBondContact CD-OD2 3.28Å; R268-D270 HydrophobicContact CG-CB 4.29Å; R268-D270 VanDerWaalsContact CG-OD2 3.31Å; R268-D270 WeakPolarHBondContact CG-OD2 3.11Å; R268-D270 IonicContact NE-OD2 2.84Å; R268-D270 PolarHBondContact O-N 2.96Å; D270-M272 VanDerWaalsContact C-N 3.31Å; D270-M272 PolarHBondContact O-N 2.9Å; D270-M272 WeakPolarHBondContact OD1-CB 3.23Å; D270-M272 PolarHBondContact OD1-N 3.15Å; D270-N273 PolarHBondContact O-N 2.74Å; D270-N273 WeakPolarHBondContact OD1-CB 3.48Å; D270-N273 PolarHBondContact OD1-N 2.73Å; D270-L274 PolarHBondContact O-N 3.37Å |
| 271 | F | 80.1 | Confident | 78.2 | Confident | 9 Ų | 9 | 70.4 Ų | 70.4 | 4% | 0.039 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.2 | -36.7 | 179.3 | 178.1 | -115.1 | 0 | 0 | 0 | 112 | L133 T136 A191 F192 N273 L274 L275 F307 | L133-F271 HydrophobicContact CD2-CE2 3.68Å; L133-F271 HydrophobicContact CD2-CZ 3.84Å; T136-F271 HydrophobicContact CG2-CB 4.47Å; T136-F271 HydrophobicContact CG2-CD2 3.57Å; T136-F271 HydrophobicContact CG2-CE2 4.26Å; T136-F271 HydrophobicContact CG2-CG 4.44Å; A191-F271 HydrophobicContact CB-CB 3.97Å; A191-F271 HydrophobicContact CB-CD1 4.38Å; A191-F271 WeakPolarHBondContact O-CA 3.44Å; A191-F271 VanDerWaalsContact O-CB 3.23Å; A191-F271 WeakPolarHBondContact O-CB 3.27Å; A191-F271 PolarHBondContact O-N 3.1Å; F192-F271 HydrophobicContact CE1-CD1 4.02Å; F271-N273 VanDerWaalsContact C-N 3.34Å; F271-N273 PolarHBondContact O-N 3.35Å; F271-L274 HydrophobicContact CD2-CD2 4.37Å; F271-L274 WeakPolarHBondContact O-CB 3.44Å; F271-L274 PolarHBondContact O-N 2.89Å; F271-L275 HydrophobicContact CD1-CD1 4.06Å; F271-L275 HydrophobicContact CD1-CG 4.46Å; F271-L275 HydrophobicContact CE1-CD1 3.6Å; F271-L275 HydrophobicContact CE1-CD2 4.35Å; F271-L275 HydrophobicContact CE1-CG 4.11Å; F271-L275 HydrophobicContact CE2-CD2 4.15Å; F271-L275 HydrophobicContact CE2-CG 4.35Å; F271-L275 HydrophobicContact CZ-CD1 3.95Å; F271-L275 HydrophobicContact CZ-CD2 3.84Å; F271-L275 HydrophobicContact CZ-CG 4.04Å; F271-L275 WeakPolarHBondContact O-CG 3.42Å; F271-L275 PolarHBondContact O-N 3.24Å; F271-L275 VanDerWaalsContact O-N 3.1Å; F271-F307 HydrophobicContact CD1-CD2 4.48Å; F271-F307 HydrophobicContact CE1-CB 4.02Å; F271-F307 AromaticContact CE1-CD2 3.34Å; F271-F307 HydrophobicContact CE1-CD2 3.34Å; F271-F307 AromaticContact CE1-CE2 3.97Å; F271-F307 HydrophobicContact CE1-CE2 3.97Å; F271-F307 AromaticContact CE1-CG 3.74Å; F271-F307 HydrophobicContact CE1-CG 3.74Å; F271-F307 HydrophobicContact CE2-CD2 4.33Å; F271-F307 HydrophobicContact CE2-CE2 4.17Å; F271-F307 HydrophobicContact CE2-CZ 4.48Å; F271-F307 AromaticContact CZ-CD2 3.25Å; F271-F307 HydrophobicContact CZ-CD2 3.25Å; F271-F307 AromaticContact CZ-CE2 3.34Å; F271-F307 HydrophobicContact CZ-CE2 3.34Å; F271-F307 AromaticContact CZ-CG 3.92Å; F271-F307 HydrophobicContact CZ-CG 3.92Å; F271-F307 HydrophobicContact CZ-CZ 4.05Å |
| 272 | M | 83.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 174.6 | -177.1 | 67.3 | 77.3 | 0 | 0 | 112 | A191 F192 V254 T257 D270 L274 L275 I276 L300 V304 | A191-M272 PolarHBondContact O-N 3.04Å; F192-M272 HydrophobicContact CD1-CE 4.15Å; V254-M272 HydrophobicContact CG2-CE 4.49Å; T257-M272 HydrophobicContact CG2-CE 4.06Å; T257-M272 HydrophobicContact CG2-CG 3.83Å; T257-M272 HydrophobicContact CG2-SD 4.34Å; D270-M272 VanDerWaalsContact C-N 3.31Å; D270-M272 PolarHBondContact O-N 2.9Å; D270-M272 WeakPolarHBondContact OD1-CB 3.23Å; D270-M272 PolarHBondContact OD1-N 3.15Å; M272-L274 VanDerWaalsContact C-N 3.33Å; M272-L274 PolarHBondContact O-N 3.27Å; M272-L275 PolarHBondContact O-N 3.5Å; M272-L275 VanDerWaalsContact O-N 3.14Å; M272-I276 HydrophobicContact CG-CD1 3.92Å; M272-I276 HydrophobicContact CG-CG1 4.47Å; M272-I276 VanDerWaalsContact O-CG1 3.31Å; M272-I276 WeakPolarHBondContact O-CG1 3.46Å; M272-I276 PolarHBondContact O-N 2.83Å; M272-L300 HydrophobicContact SD-CD2 3.98Å; M272-V304 HydrophobicContact CE-CG1 4.29Å; M272-V304 HydrophobicContact CE-CG2 3.7Å; M272-V304 HydrophobicContact SD-CG2 4.12Å |
| 273 | N | 82.4 | Confident | 76.2 | Confident | 13 Ų | 13 | 74 Ų | 74 | 7% | 0.07 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.4 | -38.9 | 178.4 | -173.8 | 79.6 | 0 | 0 | 0 | 111.9 | R268 D270 F271 L275 I276 E277 | R268-N273 WeakPolarHBondContact O-CB 3.42Å; D270-N273 PolarHBondContact O-N 2.74Å; D270-N273 WeakPolarHBondContact OD1-CB 3.48Å; D270-N273 PolarHBondContact OD1-N 2.73Å; F271-N273 VanDerWaalsContact C-N 3.34Å; F271-N273 PolarHBondContact O-N 3.35Å; N273-L275 VanDerWaalsContact C-N 3.32Å; N273-L275 PolarHBondContact O-N 2.99Å; N273-I276 PolarHBondContact O-N 2.73Å; N273-E277 PolarHBondContact ND2-OE1 3.31Å; N273-E277 WeakPolarHBondContact O-CG 3.41Å; N273-E277 PolarHBondContact O-N 3.07Å |
| 274 | L | 77.9 | Confident | 75.2 | Confident | 47 Ų | 47 | 67 Ų | 67 | 25% | 0.246 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.6 | -46.2 | 172 | 175.3 | 68.9 | 0 | 0 | 0 | 111.3 | T136 D270 F271 M272 I276 E277 L278 | T136-L274 WeakPolarHBondContact OG1-CD2 3.5Å; D270-L274 PolarHBondContact O-N 3.37Å; F271-L274 HydrophobicContact CD2-CD2 4.37Å; F271-L274 WeakPolarHBondContact O-CB 3.44Å; F271-L274 PolarHBondContact O-N 2.89Å; M272-L274 VanDerWaalsContact C-N 3.33Å; M272-L274 PolarHBondContact O-N 3.27Å; L274-I276 VanDerWaalsContact C-N 3.32Å; L274-I276 PolarHBondContact O-N 3.15Å; L274-E277 PolarHBondContact O-N 3.15Å; L274-L278 HydrophobicContact CD1-CD1 4.37Å; L274-L278 HydrophobicContact CD1-CG 4.37Å; L274-L278 HydrophobicContact CG-CD1 4.11Å; L274-L278 HydrophobicContact CG-CG 4.5Å; L274-L278 WeakPolarHBondContact O-CB 3.47Å; L274-L278 VanDerWaalsContact O-CG 3.27Å; L274-L278 WeakPolarHBondContact O-CG 3.34Å; L274-L278 PolarHBondContact O-N 2.77Å |
| 275 | L | 81.2 | Confident | 74.3 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.2 | -38.8 | 179.5 | -63.3 | 179.4 | 0 | 0 | 0 | 112.1 | L133 F271 M272 N273 L278 K279 M295 L300 Q303 V304 | L133-L275 HydrophobicContact CD2-CD2 3.82Å; F271-L275 HydrophobicContact CD1-CD1 4.06Å; F271-L275 HydrophobicContact CD1-CG 4.46Å; F271-L275 HydrophobicContact CE1-CD1 3.6Å; F271-L275 HydrophobicContact CE1-CD2 4.35Å; F271-L275 HydrophobicContact CE1-CG 4.11Å; F271-L275 HydrophobicContact CE2-CD2 4.15Å; F271-L275 HydrophobicContact CE2-CG 4.35Å; F271-L275 HydrophobicContact CZ-CD1 3.95Å; F271-L275 HydrophobicContact CZ-CD2 3.84Å; F271-L275 HydrophobicContact CZ-CG 4.04Å; F271-L275 WeakPolarHBondContact O-CG 3.42Å; F271-L275 PolarHBondContact O-N 3.24Å; F271-L275 VanDerWaalsContact O-N 3.1Å; M272-L275 PolarHBondContact O-N 3.5Å; M272-L275 VanDerWaalsContact O-N 3.14Å; N273-L275 VanDerWaalsContact C-N 3.32Å; N273-L275 PolarHBondContact O-N 2.99Å; L275-L278 PolarHBondContact O-N 2.72Å; L275-K279 PolarHBondContact O-N 3.3Å; L275-M295 HydrophobicContact CB-CE 4.1Å; L275-M295 HydrophobicContact CD2-CE 3.6Å; L275-M295 HydrophobicContact CD2-SD 4.43Å; L275-M295 HydrophobicContact CG-CE 4.46Å; L275-L300 HydrophobicContact CB-CD1 3.73Å; L275-L300 HydrophobicContact CB-CD2 4.32Å; L275-L300 HydrophobicContact CB-CG 3.78Å; L275-L300 HydrophobicContact CD1-CD2 4.2Å; L275-L300 HydrophobicContact CD1-CG 4.13Å; L275-Q303 HydrophobicContact CD1-CB 4.2Å; L275-Q303 HydrophobicContact CD2-CB 4.26Å; L275-Q303 HydrophobicContact CD2-CG 4.47Å; L275-V304 HydrophobicContact CD1-CG2 3.6Å |
| 276 | I | 81.1 | Confident | 73.6 | Confident | 12 Ų | 12 | 61.7 Ų | 61.7 | 6% | 0.062 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 175 | -68.4 | 169 | 0 | 0 | 0 | 110.7 | I258 M272 N273 L274 L278 K279 Q280 | I258-I276 HydrophobicContact CG1-CD1 4.08Å; I258-I276 HydrophobicContact CG1-CG1 4.02Å; M272-I276 HydrophobicContact CG-CD1 3.92Å; M272-I276 HydrophobicContact CG-CG1 4.47Å; M272-I276 VanDerWaalsContact O-CG1 3.31Å; M272-I276 WeakPolarHBondContact O-CG1 3.46Å; M272-I276 PolarHBondContact O-N 2.83Å; N273-I276 PolarHBondContact O-N 2.73Å; L274-I276 VanDerWaalsContact C-N 3.32Å; L274-I276 PolarHBondContact O-N 3.15Å; I276-L278 VanDerWaalsContact C-N 3.31Å; I276-L278 PolarHBondContact O-N 2.63Å; I276-K279 WeakPolarHBondContact O-CB 3.4Å; I276-K279 PolarHBondContact O-N 2.81Å; I276-K279 VanDerWaalsContact O-N 3.14Å; I276-Q280 HydrophobicContact CG2-CG 4.3Å; I276-Q280 WeakPolarHBondContact O-CB 3.34Å; I276-Q280 WeakPolarHBondContact O-CG 3.49Å; I276-Q280 PolarHBondContact O-N 3.06Å |
| 277 | E | 78.8 | Confident | 72.7 | Confident | 55 Ų | 55 | 66.5 Ų | 66.5 | 26% | 0.257 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 176.1 | -76.3 | -176.7 | -162 | 0 | 0 | 112 | N273 L274 K279 Q280 K281 | N273-E277 PolarHBondContact ND2-OE1 3.31Å; N273-E277 WeakPolarHBondContact O-CG 3.41Å; N273-E277 PolarHBondContact O-N 3.07Å; L274-E277 PolarHBondContact O-N 3.15Å; E277-K279 VanDerWaalsContact C-N 3.3Å; E277-K279 PolarHBondContact O-N 2.97Å; E277-Q280 PolarHBondContact O-N 2.95Å; E277-K281 WeakPolarHBondContact O-CB 3.4Å; E277-K281 VanDerWaalsContact O-CG 3.27Å; E277-K281 WeakPolarHBondContact O-CG 3.41Å; E277-K281 PolarHBondContact O-N 3.19Å; E277-K281 IonicContact OE2-NZ 2.68Å; E277-K281 PolarHBondContact OE2-NZ 2.88Å |
| 278 | L | 75.1 | Confident | 72.4 | Confident | 14 Ų | 14 | 63.8 Ų | 63.8 | 7% | 0.073 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.4 | -33.9 | 175.4 | -72.4 | 173.5 | 0 | 0 | 0 | 112.2 | R132 L274 L275 I276 V284 G294 M295 | R132-L278 HydrophobicContact CB-CD1 4.15Å; L274-L278 HydrophobicContact CD1-CD1 4.37Å; L274-L278 HydrophobicContact CD1-CG 4.37Å; L274-L278 HydrophobicContact CG-CD1 4.11Å; L274-L278 HydrophobicContact CG-CG 4.5Å; L274-L278 WeakPolarHBondContact O-CB 3.47Å; L274-L278 VanDerWaalsContact O-CG 3.27Å; L274-L278 WeakPolarHBondContact O-CG 3.34Å; L274-L278 PolarHBondContact O-N 2.77Å; L275-L278 PolarHBondContact O-N 2.72Å; I276-L278 VanDerWaalsContact C-N 3.31Å; I276-L278 PolarHBondContact O-N 2.63Å; L278-V284 HydrophobicContact CD2-CG2 3.89Å; L278-G294 WeakPolarHBondContact O-CA 3.45Å; L278-M295 HydrophobicContact CB-CE 3.54Å; L278-M295 HydrophobicContact CD1-CE 3.83Å; L278-M295 HydrophobicContact CG-CE 4.35Å |
| 279 | K | 76.4 | Confident | 72.1 | Confident | 80 Ų | 80 | 62.5 Ų | 62.5 | 35% | 0.348 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.6 | -45 | 171.1 | 174.6 | 177.9 | -174.8 | -58.8 | 0 | 111.5 | L275 I276 E277 M295 L300 | L275-K279 PolarHBondContact O-N 3.3Å; I276-K279 WeakPolarHBondContact O-CB 3.4Å; I276-K279 PolarHBondContact O-N 2.81Å; I276-K279 VanDerWaalsContact O-N 3.14Å; E277-K279 VanDerWaalsContact C-N 3.3Å; E277-K279 PolarHBondContact O-N 2.97Å; K279-M295 WeakPolarHBondContact CG-O 3.49Å; K279-L300 HydrophobicContact CB-CD1 4.33Å; K279-L300 HydrophobicContact CD-CD1 4.37Å |
| 280 | Q | 73.7 | Confident | 72 | Confident | 117 Ų | 117 | 60.5 Ų | 60.5 | 55% | 0.547 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -72.5 | -38.7 | -175.5 | -73.7 | 175.4 | -11 | 0 | 0 | 113.5 | I276 E277 G282 | I276-Q280 HydrophobicContact CG2-CG 4.3Å; I276-Q280 WeakPolarHBondContact O-CB 3.34Å; I276-Q280 WeakPolarHBondContact O-CG 3.49Å; I276-Q280 PolarHBondContact O-N 3.06Å; E277-Q280 PolarHBondContact O-N 2.95Å; Q280-G282 PolarHBondContact O-N 2.88Å; Q280-G282 VanDerWaalsContact O-N 3.15Å |
| 281 | K | 67.1 | Low | 71.5 | Confident | 127 Ų | 127 | 63.9 Ų | 63.9 | 55% | 0.552 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62 | -24.3 | -177.6 | -77.6 | 170.9 | -178.8 | 166 | 0 | 112.4 | E277 R283 V284 | E277-K281 WeakPolarHBondContact O-CB 3.4Å; E277-K281 VanDerWaalsContact O-CG 3.27Å; E277-K281 WeakPolarHBondContact O-CG 3.41Å; E277-K281 PolarHBondContact O-N 3.19Å; E277-K281 IonicContact OE2-NZ 2.68Å; E277-K281 PolarHBondContact OE2-NZ 2.88Å; K281-R283 PolarHBondContact O-N 3.24Å; K281-V284 HydrophobicContact CB-CG2 4.2Å; K281-V284 HydrophobicContact CD-CG2 4.41Å |
| 282 | G | 61.2 | Low | 70.8 | Confident | 39 Ų | 39 | 63.6 Ų | 63.6 | 40% | 0.402 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 67.4 | -32.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q280 E293 G294 | Q280-G282 PolarHBondContact O-N 2.88Å; Q280-G282 VanDerWaalsContact O-N 3.15Å; G282-E293 CarbonylContact O-C 3.43Å; G282-G294 PolarHBondContact O-N 3.27Å |
| 283 | R | 64.5 | Low | 70.1 | Confident | 174 Ų | 174 | 70.3 Ų | 70.3 | 66% | 0.657 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 134.9 | 169.7 | -68.3 | -177.6 | 178.2 | 160.3 | 0.3 | 109.3 | K281 V291 I292 | K281-R283 PolarHBondContact O-N 3.24Å; R283-V291 HydrophobicContact CB-CG1 3.89Å; R283-V291 HydrophobicContact CG-CG1 4.1Å; R283-I292 CarbonylContact C-O 3.59Å; R283-I292 WeakPolarHBondContact CA-O 3.45Å |
| 284 | V | 65.3 | Low | 69.4 | Low | 36 Ų | 36 | 70.8 Ų | 70.8 | 22% | 0.218 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 118 | 173.1 | -179.8 | 0 | 0 | 0 | 0 | 107.8 | L278 K281 I292 | L278-V284 HydrophobicContact CD2-CG2 3.89Å; K281-V284 HydrophobicContact CB-CG2 4.2Å; K281-V284 HydrophobicContact CD-CG2 4.41Å; V284-I292 PolarHBondContact N-O 3.41Å; V284-I292 PolarHBondContact O-N 3.08Å |
| 285 | T | 66.6 | Low | 69.5 | Low | 94 Ų | 94 | 68.9 Ų | 68.9 | 58% | 0.577 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 118.8 | 169.6 | -49.5 | 0 | 0 | 0 | 0 | 108.1 | E290 V291 | T285-E290 WeakPolarHBondContact CA-O 3.09Å; T285-V291 HydrophobicContact CG2-CG2 4.44Å |
| 286 | L | 64.2 | Low | 69.7 | Low | 38 Ų | 38 | 73.1 Ų | 73.1 | 20% | 0.199 | 39% | 0.39 | C | S | . | . | trans | -73.2 | 162.9 | 173.7 | -69.6 | -172.4 | 0 | 0 | 0 | 111.3 | Q131 N288 G289 E290 I292 | Q131-L286 HydrophobicContact CB-CD1 4.38Å; L286-N288 WeakPolarHBondContact CB-OD1 3.31Å; L286-N288 PolarHBondContact O-N 3.27Å; L286-G289 PolarHBondContact O-N 2.88Å; L286-E290 HydrophobicContact CD1-CB 4.38Å; L286-E290 PolarHBondContact N-O 3.19Å; L286-I292 HydrophobicContact CD1-CD1 3.43Å; L286-I292 VanDerWaalsContact CD1-CD1 3.43Å; L286-I292 HydrophobicContact CD1-CG1 4.34Å; L286-I292 HydrophobicContact CD2-CD1 3.85Å; L286-I292 HydrophobicContact CG-CD1 3.5Å; L286-I292 HydrophobicContact CG-CG1 4.21Å | ||
| 287 | D | 57.2 | Low | 70 | Confident | 183 Ų | 183 | 75.1 Ų | 75.1 | 98% | 0.979 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -20.1 | 176.5 | -58.5 | -28.7 | 0 | 0 | 0 | 113.2 | ||
| 288 | N | 63.7 | Low | 70.5 | Confident | 96 Ų | 96 | 72.8 Ų | 72.8 | 51% | 0.513 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 5.8 | 175.2 | 70.7 | -6.6 | 0 | 0 | 0 | 113.9 | L286 E290 | L286-N288 WeakPolarHBondContact CB-OD1 3.31Å; L286-N288 PolarHBondContact O-N 3.27Å; N288-E290 VanDerWaalsContact C-N 3.33Å; N288-E290 PolarHBondContact ND2-OE2 3.14Å; N288-E290 PolarHBondContact O-N 2.98Å; N288-E290 WeakPolarHBondContact OD1-CB 3.22Å; N288-E290 PolarHBondContact OD1-N 2.91Å |
| 289 | G | 65.4 | Low | 71.2 | Confident | 53 Ų | 53 | 73.6 Ų | 73.6 | 55% | 0.546 | 39% | 0.394 | S | S | . | . | S | Bend | trans | 81.9 | -2.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L286 V291 | L286-G289 PolarHBondContact O-N 2.88Å; G289-V291 PolarHBondContact O-N 2.99Å |
| 290 | E | 67.1 | Low | 71.9 | Confident | 70 Ų | 70 | 69.8 Ų | 69.8 | 33% | 0.327 | 38% | 0.378 | S | S | . | . | trans | -72.2 | 127.8 | 176.4 | -72.6 | -179.7 | 139.8 | 0 | 0 | 110.9 | K127 T285 L286 N288 | K127-E290 IonicContact NZ-OE1 2.72Å; T285-E290 WeakPolarHBondContact CA-O 3.09Å; L286-E290 HydrophobicContact CD1-CB 4.38Å; L286-E290 PolarHBondContact N-O 3.19Å; N288-E290 VanDerWaalsContact C-N 3.33Å; N288-E290 PolarHBondContact ND2-OE2 3.14Å; N288-E290 PolarHBondContact O-N 2.98Å; N288-E290 WeakPolarHBondContact OD1-CB 3.22Å; N288-E290 PolarHBondContact OD1-N 2.91Å | ||
| 291 | V | 68.3 | Low | 72.8 | Confident | 84 Ų | 84 | 64.2 Ų | 64.2 | 51% | 0.509 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 126.3 | 174.8 | -178 | 0 | 0 | 0 | 0 | 109.8 | R283 T285 G289 | R283-V291 HydrophobicContact CB-CG1 3.89Å; R283-V291 HydrophobicContact CG-CG1 4.1Å; T285-V291 HydrophobicContact CG2-CG2 4.44Å; G289-V291 PolarHBondContact O-N 2.99Å |
| 292 | I | 65.9 | Low | 74.1 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.015 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 126.8 | -177.1 | -61.6 | -179.2 | 0 | 0 | 0 | 110.3 | D128 R283 V284 L286 | D128-I292 HydrophobicContact CB-CD1 4.44Å; D128-I292 HydrophobicContact CB-CG2 4.4Å; R283-I292 CarbonylContact C-O 3.59Å; R283-I292 WeakPolarHBondContact CA-O 3.45Å; V284-I292 PolarHBondContact N-O 3.41Å; V284-I292 PolarHBondContact O-N 3.08Å; L286-I292 HydrophobicContact CD1-CD1 3.43Å; L286-I292 VanDerWaalsContact CD1-CD1 3.43Å; L286-I292 HydrophobicContact CD1-CG1 4.34Å; L286-I292 HydrophobicContact CD2-CD1 3.85Å; L286-I292 HydrophobicContact CG-CD1 3.5Å; L286-I292 HydrophobicContact CG-CG1 4.21Å |
| 293 | E | 68.3 | Low | 75.6 | Confident | 141 Ų | 141 | 56.3 Ų | 56.3 | 66% | 0.659 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 148.8 | 177.5 | -63.3 | -173.7 | 159.2 | 0 | 0 | 113.1 | R132 G282 | R132-E293 PolarHBondContact NH1-O 3.46Å; R132-E293 PolarHBondContact NH2-O 3.02Å; G282-E293 CarbonylContact O-C 3.43Å |
| 294 | G | 69.1 | Low | 76.9 | Confident | 23 Ų | 23 | 48 Ų | 48 | 24% | 0.237 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 166.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | L278 G282 | L278-G294 WeakPolarHBondContact O-CA 3.45Å; G282-G294 PolarHBondContact O-N 3.27Å |
| 295 | M | 78.9 | Confident | 78.2 | Confident | 8 Ų | 8 | 46.6 Ų | 46.6 | 4% | 0.039 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -89.8 | 142.3 | -179.7 | -71.6 | -177 | -61.6 | 0 | 0 | 112.3 | M129 L275 L278 K279 E299 Q303 | M129-M295 HydrophobicContact CE-CG 4.35Å; M129-M295 HydrophobicContact CE-SD 3.79Å; M129-M295 HydrophobicContact SD-SD 4.07Å; L275-M295 HydrophobicContact CB-CE 4.1Å; L275-M295 HydrophobicContact CD2-CE 3.6Å; L275-M295 HydrophobicContact CD2-SD 4.43Å; L275-M295 HydrophobicContact CG-CE 4.46Å; L278-M295 HydrophobicContact CB-CE 3.54Å; L278-M295 HydrophobicContact CD1-CE 3.83Å; L278-M295 HydrophobicContact CG-CE 4.35Å; K279-M295 WeakPolarHBondContact CG-O 3.49Å; M295-E299 WeakPolarHBondContact CA-OE2 3.24Å; M295-E299 HydrophobicContact CB-CB 4.2Å; M295-E299 HydrophobicContact CG-CB 4.37Å; M295-Q303 HydrophobicContact SD-CG 4.48Å |
| 296 | D | 85.3 | Confident | 79.4 | Confident | 89 Ų | 89 | 43.1 Ų | 43.1 | 48% | 0.476 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -77.9 | 171.2 | 164.3 | 76.3 | 44.2 | 0 | 0 | 0 | 111.9 | G298 E299 L300 | D296-G298 VanDerWaalsContact C-N 3.3Å; D296-G298 PolarHBondContact O-N 3.18Å; D296-G298 VanDerWaalsContact OD1-CA 3.26Å; D296-G298 WeakPolarHBondContact OD1-CA 3.5Å; D296-G298 PolarHBondContact OD1-N 3.2Å; D296-E299 PolarHBondContact N-OE2 3.06Å; D296-E299 PolarHBondContact O-N 2.96Å; D296-E299 PolarHBondContact OD1-N 2.87Å; D296-L300 WeakPolarHBondContact O-CB 3.43Å; D296-L300 PolarHBondContact O-N 3.23Å |
| 297 | I | 87.4 | Confident | 80.8 | Confident | 54 Ų | 54 | 42.2 Ų | 42.2 | 28% | 0.277 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.3 | -34.4 | -178.3 | -168.1 | 64.6 | 0 | 0 | 0 | 112.7 | V254 N255 I258 A301 | V254-I297 HydrophobicContact CG1-CD1 3.65Å; V254-I297 HydrophobicContact CG1-CG1 4.48Å; N255-I297 WeakPolarHBondContact OD1-CG1 3.48Å; I258-I297 HydrophobicContact CD1-CD1 3.49Å; I258-I297 VanDerWaalsContact CD1-CD1 3.49Å; I297-A301 WeakPolarHBondContact O-CB 3.4Å; I297-A301 PolarHBondContact O-N 3.4Å |
| 298 | G | 90.3 | Very high | 82.4 | Confident | 6 Ų | 6 | 33.5 Ų | 33.5 | 6% | 0.062 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.9 | -41.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D296 L300 A301 A302 | D296-G298 VanDerWaalsContact C-N 3.3Å; D296-G298 PolarHBondContact O-N 3.18Å; D296-G298 VanDerWaalsContact OD1-CA 3.26Å; D296-G298 WeakPolarHBondContact OD1-CA 3.5Å; D296-G298 PolarHBondContact OD1-N 3.2Å; G298-L300 VanDerWaalsContact C-N 3.35Å; G298-A301 PolarHBondContact O-N 3.46Å; G298-A302 WeakPolarHBondContact O-CB 3.49Å; G298-A302 PolarHBondContact O-N 3.21Å |
| 299 | E | 89.8 | Confident | 83.6 | Confident | 31 Ų | 31 | 29.7 Ų | 29.7 | 15% | 0.145 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.9 | -40.8 | 174 | -70.1 | -175.4 | 138.1 | 0 | 0 | 111.9 | Q116 M295 D296 A302 Q303 | Q116-E299 PolarHBondContact NE2-OE1 3.33Å; M295-E299 WeakPolarHBondContact CA-OE2 3.24Å; M295-E299 HydrophobicContact CB-CB 4.2Å; M295-E299 HydrophobicContact CG-CB 4.37Å; D296-E299 PolarHBondContact N-OE2 3.06Å; D296-E299 PolarHBondContact O-N 2.96Å; D296-E299 PolarHBondContact OD1-N 2.87Å; E299-A302 PolarHBondContact O-N 2.67Å; E299-Q303 WeakPolarHBondContact O-CG 3.18Å; E299-Q303 PolarHBondContact O-N 3.48Å; E299-Q303 VanDerWaalsContact O-N 3.09Å; E299-Q303 PolarHBondContact O-NE2 2.89Å |
| 300 | L | 90.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.6 | -49.4 | 174.7 | -165.2 | 151.1 | 0 | 0 | 0 | 110.6 | V254 I258 M272 L275 K279 D296 G298 A302 Q303 V304 | V254-L300 HydrophobicContact CB-CD2 4.42Å; V254-L300 HydrophobicContact CG1-CD2 3.36Å; V254-L300 HydrophobicContact CG2-CD2 4.21Å; I258-L300 HydrophobicContact CD1-CD1 4.27Å; I258-L300 HydrophobicContact CD1-CD2 4.48Å; M272-L300 HydrophobicContact SD-CD2 3.98Å; L275-L300 HydrophobicContact CB-CD1 3.73Å; L275-L300 HydrophobicContact CB-CD2 4.32Å; L275-L300 HydrophobicContact CB-CG 3.78Å; L275-L300 HydrophobicContact CD1-CD2 4.2Å; L275-L300 HydrophobicContact CD1-CG 4.13Å; K279-L300 HydrophobicContact CB-CD1 4.33Å; K279-L300 HydrophobicContact CD-CD1 4.37Å; D296-L300 WeakPolarHBondContact O-CB 3.43Å; D296-L300 PolarHBondContact O-N 3.23Å; G298-L300 VanDerWaalsContact C-N 3.35Å; L300-A302 VanDerWaalsContact C-N 3.3Å; L300-A302 PolarHBondContact O-N 3.25Å; L300-Q303 PolarHBondContact O-N 2.93Å; L300-Q303 VanDerWaalsContact O-N 3.13Å; L300-V304 HydrophobicContact CD2-CG2 3.9Å; L300-V304 WeakPolarHBondContact O-CG2 3.41Å; L300-V304 PolarHBondContact O-N 3.44Å |
| 301 | A | 92.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.1 | -37.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L114 M251 V254 I297 G298 Q303 V304 F305 | L114-A301 HydrophobicContact CD2-CB 3.82Å; M251-A301 HydrophobicContact SD-CB 3.5Å; M251-A301 VanDerWaalsContact SD-CB 3.5Å; V254-A301 HydrophobicContact CB-CB 4.28Å; V254-A301 HydrophobicContact CG1-CB 4.39Å; V254-A301 HydrophobicContact CG2-CB 3.96Å; I297-A301 WeakPolarHBondContact O-CB 3.4Å; I297-A301 PolarHBondContact O-N 3.4Å; G298-A301 PolarHBondContact O-N 3.46Å; A301-Q303 VanDerWaalsContact C-N 3.34Å; A301-Q303 PolarHBondContact O-N 2.97Å; A301-V304 PolarHBondContact O-N 3.31Å; A301-F305 VanDerWaalsContact O-CB 3.22Å; A301-F305 WeakPolarHBondContact O-CB 3.25Å; A301-F305 PolarHBondContact O-N 3.17Å |
| 302 | A | 94.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.7 | -40.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P113 H117 G298 E299 L300 V306 | P113-A302 WeakPolarHBondContact O-CB 3.46Å; H117-A302 HydrophobicContact CB-CB 4.04Å; H117-A302 VanDerWaalsContact CB-O 3.23Å; H117-A302 WeakPolarHBondContact CB-O 3.3Å; G298-A302 WeakPolarHBondContact O-CB 3.49Å; G298-A302 PolarHBondContact O-N 3.21Å; E299-A302 PolarHBondContact O-N 2.67Å; L300-A302 VanDerWaalsContact C-N 3.3Å; L300-A302 PolarHBondContact O-N 3.25Å; A302-V306 PolarHBondContact O-N 3.33Å |
| 303 | Q | 93.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.4 | -48.1 | 175.7 | -58.4 | -23.3 | -69.1 | 0 | 0 | 110.9 | Q116 M129 L133 L275 M295 E299 L300 A301 F305 V306 F307 | Q116-Q303 PolarHBondContact O-NE2 3.02Å; Q116-Q303 VanDerWaalsContact O-NE2 3.12Å; M129-Q303 HydrophobicContact CE-CG 4.3Å; M129-Q303 HydrophobicContact SD-CG 3.92Å; L133-Q303 HydrophobicContact CD1-CG 4.43Å; L275-Q303 HydrophobicContact CD1-CB 4.2Å; L275-Q303 HydrophobicContact CD2-CB 4.26Å; L275-Q303 HydrophobicContact CD2-CG 4.47Å; M295-Q303 HydrophobicContact SD-CG 4.48Å; E299-Q303 WeakPolarHBondContact O-CG 3.18Å; E299-Q303 PolarHBondContact O-N 3.48Å; E299-Q303 VanDerWaalsContact O-N 3.09Å; E299-Q303 PolarHBondContact O-NE2 2.89Å; L300-Q303 PolarHBondContact O-N 2.93Å; L300-Q303 VanDerWaalsContact O-N 3.13Å; A301-Q303 VanDerWaalsContact C-N 3.34Å; A301-Q303 PolarHBondContact O-N 2.97Å; Q303-F305 VanDerWaalsContact C-N 3.26Å; Q303-F305 PolarHBondContact O-N 3.15Å; Q303-V306 WeakPolarHBondContact O-CG1 3.45Å; Q303-V306 PolarHBondContact O-N 3.41Å; Q303-F307 HydrophobicContact CB-CD2 4.36Å; Q303-F307 HydrophobicContact CB-CE2 4.48Å; Q303-F307 WeakPolarHBondContact O-CD2 3.01Å; Q303-F307 PolarHBondContact O-N 2.98Å |
| 304 | V | 91.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -53.8 | -47 | 176.6 | 169 | 0 | 0 | 0 | 0 | 111.1 | F192 F250 L253 V254 M272 L275 L300 A301 F307 Y308 | F192-V304 HydrophobicContact CD1-CG1 4.05Å; F192-V304 HydrophobicContact CD1-CG2 4.41Å; F192-V304 HydrophobicContact CE1-CB 4.1Å; F192-V304 HydrophobicContact CE1-CG1 3.67Å; F192-V304 HydrophobicContact CE1-CG2 4.08Å; F192-V304 HydrophobicContact CZ-CG1 3.97Å; F192-V304 WeakPolarHBondContact CZ-O 3.46Å; F250-V304 HydrophobicContact CD1-CG1 4.46Å; L253-V304 HydrophobicContact CD2-CG1 4.45Å; V254-V304 HydrophobicContact CG2-CB 3.98Å; V254-V304 HydrophobicContact CG2-CG1 3.98Å; V254-V304 HydrophobicContact CG2-CG2 4.01Å; M272-V304 HydrophobicContact CE-CG1 4.29Å; M272-V304 HydrophobicContact CE-CG2 3.7Å; M272-V304 HydrophobicContact SD-CG2 4.12Å; L275-V304 HydrophobicContact CD1-CG2 3.6Å; L300-V304 HydrophobicContact CD2-CG2 3.9Å; L300-V304 WeakPolarHBondContact O-CG2 3.41Å; L300-V304 PolarHBondContact O-N 3.44Å; A301-V304 PolarHBondContact O-N 3.31Å; V304-F307 PolarHBondContact O-N 3.37Å; V304-Y308 WeakPolarHBondContact O-CB 3.34Å; V304-Y308 PolarHBondContact O-N 3.45Å |
| 305 | F | 93.1 | Very high | 90.2 | Very high | 6 Ų | 6 | 17.9 Ų | 17.9 | 3% | 0.026 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -56.1 | -54.2 | 175.8 | 169.7 | -104 | 0 | 0 | 0 | 112.6 | L114 H117 V213 M242 V246 F250 A301 Q303 F307 Y308 V309 | L114-F305 HydrophobicContact CB-CD1 4.23Å; L114-F305 HydrophobicContact CB-CG 4.37Å; L114-F305 HydrophobicContact CD1-CB 4.48Å; L114-F305 HydrophobicContact CD1-CD2 4.11Å; L114-F305 HydrophobicContact CD1-CG 4.2Å; L114-F305 HydrophobicContact CD2-CB 4.07Å; H117-F305 AromaticContact CD2-CD1 3.88Å; V213-F305 HydrophobicContact CG1-CE2 4.33Å; V213-F305 HydrophobicContact CG1-CZ 3.85Å; V213-F305 HydrophobicContact CG2-CE2 3.57Å; V213-F305 HydrophobicContact CG2-CZ 3.93Å; M242-F305 HydrophobicContact SD-CE1 4Å; M242-F305 HydrophobicContact SD-CE2 4.25Å; M242-F305 HydrophobicContact SD-CZ 3.51Å; M242-F305 VanDerWaalsContact SD-CZ 3.51Å; V246-F305 HydrophobicContact CG1-CE2 3.93Å; F250-F305 HydrophobicContact CD1-CB 4.21Å; F250-F305 HydrophobicContact CD1-CD2 4.32Å; 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 4.35Å; F250-F305 AromaticContact CE2-CD2 3.59Å; F250-F305 HydrophobicContact CE2-CD2 3.59Å; F250-F305 HydrophobicContact CE2-CE2 4.02Å; F250-F305 HydrophobicContact CG-CB 4.22Å; F250-F305 AromaticContact CG-CD2 3.94Å; F250-F305 HydrophobicContact CG-CD2 3.94Å; F250-F305 HydrophobicContact CZ-CD2 4.02Å; A301-F305 VanDerWaalsContact O-CB 3.22Å; A301-F305 WeakPolarHBondContact O-CB 3.25Å; A301-F305 PolarHBondContact O-N 3.17Å; Q303-F305 VanDerWaalsContact C-N 3.26Å; Q303-F305 PolarHBondContact O-N 3.15Å; F305-F307 VanDerWaalsContact C-N 3.35Å; F305-F307 PolarHBondContact O-N 3Å; F305-Y308 PolarHBondContact O-N 2.97Å; F305-V309 HydrophobicContact CD2-CG2 4.07Å; F305-V309 HydrophobicContact CE2-CG2 3.75Å; F305-V309 HydrophobicContact CZ-CG2 4.05Å; F305-V309 WeakPolarHBondContact O-CG2 3.47Å; F305-V309 PolarHBondContact O-N 3.39Å |
| 306 | V | 93 | Very high | 90.9 | Very high | 20 Ų | 20 | 17.5 Ų | 17.5 | 12% | 0.121 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67 | -36 | -175.4 | 78 | 0 | 0 | 0 | 0 | 112.4 | H117 F119 A302 Q303 A310 | H117-V306 HydrophobicContact CB-CB 3.67Å; H117-V306 HydrophobicContact CB-CG1 3.76Å; H117-V306 HydrophobicContact CB-CG2 4.25Å; F119-V306 HydrophobicContact CB-CG2 4.13Å; A302-V306 PolarHBondContact O-N 3.33Å; Q303-V306 WeakPolarHBondContact O-CG1 3.45Å; Q303-V306 PolarHBondContact O-N 3.41Å; V306-A310 WeakPolarHBondContact O-CB 3.46Å; V306-A310 PolarHBondContact O-N 3.33Å |
| 307 | F | 92.3 | Very high | 91.4 | Very high | 19 Ų | 19 | 13.4 Ų | 13.4 | 8% | 0.083 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -72.6 | -35.3 | 178.9 | -80.7 | -75.1 | 0 | 0 | 0 | 112.3 | L118 L133 F137 F192 F271 Q303 V304 F305 G311 I452 | L118-F307 HydrophobicContact CD2-CZ 4.42Å; L133-F307 HydrophobicContact CD1-CE2 3.8Å; L133-F307 HydrophobicContact CD1-CZ 4.04Å; F137-F307 HydrophobicContact CE1-CE1 4.29Å; F137-F307 HydrophobicContact CE2-CD1 4.28Å; F137-F307 AromaticContact CE2-CE1 3.39Å; F137-F307 HydrophobicContact CE2-CE1 3.39Å; F137-F307 AromaticContact CE2-CZ 3.77Å; F137-F307 HydrophobicContact CE2-CZ 3.77Å; F137-F307 AromaticContact CZ-CD1 3.67Å; F137-F307 HydrophobicContact CZ-CD1 3.67Å; F137-F307 AromaticContact CZ-CE1 3.19Å; F137-F307 HydrophobicContact CZ-CE1 3.19Å; F137-F307 HydrophobicContact CZ-CZ 4.02Å; F192-F307 HydrophobicContact CZ-CB 4.41Å; F271-F307 HydrophobicContact CD1-CD2 4.48Å; F271-F307 HydrophobicContact CE1-CB 4.02Å; F271-F307 AromaticContact CE1-CD2 3.34Å; F271-F307 HydrophobicContact CE1-CD2 3.34Å; F271-F307 AromaticContact CE1-CE2 3.97Å; F271-F307 HydrophobicContact CE1-CE2 3.97Å; F271-F307 AromaticContact CE1-CG 3.74Å; F271-F307 HydrophobicContact CE1-CG 3.74Å; F271-F307 HydrophobicContact CE2-CD2 4.33Å; F271-F307 HydrophobicContact CE2-CE2 4.17Å; F271-F307 HydrophobicContact CE2-CZ 4.48Å; F271-F307 AromaticContact CZ-CD2 3.25Å; F271-F307 HydrophobicContact CZ-CD2 3.25Å; F271-F307 AromaticContact CZ-CE2 3.34Å; F271-F307 HydrophobicContact CZ-CE2 3.34Å; F271-F307 AromaticContact CZ-CG 3.92Å; F271-F307 HydrophobicContact CZ-CG 3.92Å; F271-F307 HydrophobicContact CZ-CZ 4.05Å; Q303-F307 HydrophobicContact CB-CD2 4.36Å; Q303-F307 HydrophobicContact CB-CE2 4.48Å; Q303-F307 WeakPolarHBondContact O-CD2 3.01Å; Q303-F307 PolarHBondContact O-N 2.98Å; V304-F307 PolarHBondContact O-N 3.37Å; F305-F307 VanDerWaalsContact C-N 3.35Å; F305-F307 PolarHBondContact O-N 3Å; F307-G311 PolarHBondContact O-N 3.06Å; F307-I452 HydrophobicContact CE1-CG2 3.64Å; F307-I452 HydrophobicContact CZ-CG2 3.88Å |
| 308 | Y | 91 | Very high | 91.9 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.5 | -58.7 | 170.4 | 176.9 | -102.2 | 0 | 0 | 0 | 110.2 | T184 I187 F192 F206 F250 V304 F305 A310 G311 F312 | T184-Y308 HydrophobicContact CG2-CE2 4.1Å; I187-Y308 HydrophobicContact CG2-CD2 3.77Å; I187-Y308 HydrophobicContact CG2-CE2 4.05Å; F192-Y308 AromaticContact CE2-CD2 3.99Å; F192-Y308 HydrophobicContact CE2-CD2 3.99Å; F192-Y308 HydrophobicContact CE2-CG 4.36Å; F206-Y308 HydrophobicContact CD1-CD2 4.37Å; F206-Y308 AromaticContact CD1-CE2 3.81Å; F206-Y308 HydrophobicContact CD1-CE2 3.81Å; F206-Y308 PolarHBondContact O-OH 3.23Å; F250-Y308 AromaticContact CE1-CD1 3.79Å; F250-Y308 HydrophobicContact CE1-CD1 3.79Å; F250-Y308 AromaticContact CE1-CG 4Å; F250-Y308 HydrophobicContact CE1-CG 4Å; F250-Y308 AromaticContact CZ-CD1 3.43Å; F250-Y308 HydrophobicContact CZ-CD1 3.43Å; F250-Y308 VanDerWaalsContact CZ-CD1 3.43Å; F250-Y308 AromaticContact CZ-CE1 3.91Å; F250-Y308 HydrophobicContact CZ-CE1 3.91Å; F250-Y308 HydrophobicContact CZ-CG 4.12Å; V304-Y308 WeakPolarHBondContact O-CB 3.34Å; V304-Y308 PolarHBondContact O-N 3.45Å; F305-Y308 PolarHBondContact O-N 2.97Å; Y308-A310 PolarHBondContact O-N 3.16Å; Y308-G311 PolarHBondContact O-N 3.49Å; Y308-G311 VanDerWaalsContact O-N 3.16Å; Y308-F312 AromaticContact CD1-CD1 3.99Å; Y308-F312 HydrophobicContact CD1-CD1 3.99Å; Y308-F312 HydrophobicContact CD1-CE1 4.09Å; Y308-F312 AromaticContact CE1-CD1 3.68Å; Y308-F312 HydrophobicContact CE1-CD1 3.68Å; Y308-F312 AromaticContact CE1-CE1 3.68Å; Y308-F312 HydrophobicContact CE1-CE1 3.68Å; Y308-F312 HydrophobicContact CE2-CD1 4.46Å; Y308-F312 AromaticContact CZ-CD1 3.91Å; Y308-F312 VanDerWaalsContact O-CD1 3.27Å; Y308-F312 WeakPolarHBondContact O-CD1 3.18Å; Y308-F312 PolarHBondContact O-N 3.2Å; Y308-F312 VanDerWaalsContact O-N 3.13Å |
| 309 | V | 90 | Very high | 92.3 | Very high | 16 Ų | 16 | 11.1 Ų | 11.1 | 10% | 0.097 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.3 | -45.8 | -175.2 | 173 | 0 | 0 | 0 | 0 | 112.3 | V213 F214 F305 G311 F312 E313 | V213-V309 HydrophobicContact CB-CG2 4.39Å; V213-V309 HydrophobicContact CG1-CG1 3.97Å; V213-V309 HydrophobicContact CG1-CG2 4.14Å; V213-V309 HydrophobicContact CG2-CG2 4.02Å; F214-V309 HydrophobicContact CE1-CG1 4.19Å; F214-V309 HydrophobicContact CE2-CG1 3.59Å; F214-V309 HydrophobicContact CZ-CG1 3.27Å; F305-V309 HydrophobicContact CD2-CG2 4.07Å; F305-V309 HydrophobicContact CE2-CG2 3.75Å; F305-V309 HydrophobicContact CZ-CG2 4.05Å; F305-V309 WeakPolarHBondContact O-CG2 3.47Å; F305-V309 PolarHBondContact O-N 3.39Å; V309-G311 VanDerWaalsContact C-N 3.34Å; V309-G311 PolarHBondContact O-N 2.99Å; V309-F312 HydrophobicContact CB-CE1 4.5Å; V309-F312 HydrophobicContact CG2-CE1 4.47Å; V309-E313 PolarHBondContact O-N 3.23Å |
| 310 | A | 90.8 | Very high | 92.7 | Very high | 48 Ų | 48 | 9.7 Ų | 9.7 | 40% | 0.397 | 6% | 0.063 | S | C | . | . | H | α-helix | trans | -68 | -34.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V306 Y308 T314 | V306-A310 WeakPolarHBondContact O-CB 3.46Å; V306-A310 PolarHBondContact O-N 3.33Å; Y308-A310 PolarHBondContact O-N 3.16Å; A310-T314 PolarHBondContact O-OG1 3.19Å |
| 311 | G | 86.5 | Confident | 93.1 | Very high | 9 Ų | 9 | 9.8 Ų | 9.8 | 9% | 0.093 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -73 | -36.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | F307 Y308 V309 Q460 | F307-G311 PolarHBondContact O-N 3.06Å; Y308-G311 PolarHBondContact O-N 3.49Å; Y308-G311 VanDerWaalsContact O-N 3.16Å; V309-G311 VanDerWaalsContact C-N 3.34Å; V309-G311 PolarHBondContact O-N 2.99Å; G311-Q460 PolarHBondContact O-NE2 2.64Å |
| 312 | F | 86.2 | Confident | 93.4 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -87.8 | -56.1 | -176.2 | 90.7 | -98.9 | 0 | 0 | 0 | 113 | T183 I187 G210 F214 Y308 V309 T314 S316 | T183-F312 PolarHBondContact OG1-O 3.05Å; T183-F312 VanDerWaalsContact OG1-O 3.06Å; I187-F312 HydrophobicContact CG2-CB 4.42Å; G210-F312 WeakPolarHBondContact O-CZ 3.47Å; F214-F312 HydrophobicContact CD2-CZ 4.19Å; F214-F312 HydrophobicContact CE2-CE1 4.13Å; F214-F312 HydrophobicContact CE2-CE2 4.47Å; F214-F312 AromaticContact CE2-CZ 3.66Å; F214-F312 HydrophobicContact CE2-CZ 3.66Å; Y308-F312 AromaticContact CD1-CD1 3.99Å; Y308-F312 HydrophobicContact CD1-CD1 3.99Å; Y308-F312 HydrophobicContact CD1-CE1 4.09Å; Y308-F312 AromaticContact CE1-CD1 3.68Å; Y308-F312 HydrophobicContact CE1-CD1 3.68Å; Y308-F312 AromaticContact CE1-CE1 3.68Å; Y308-F312 HydrophobicContact CE1-CE1 3.68Å; Y308-F312 HydrophobicContact CE2-CD1 4.46Å; Y308-F312 AromaticContact CZ-CD1 3.91Å; Y308-F312 VanDerWaalsContact O-CD1 3.27Å; Y308-F312 WeakPolarHBondContact O-CD1 3.18Å; Y308-F312 PolarHBondContact O-N 3.2Å; Y308-F312 VanDerWaalsContact O-N 3.13Å; V309-F312 HydrophobicContact CB-CE1 4.5Å; V309-F312 HydrophobicContact CG2-CE1 4.47Å; F312-T314 PolarHBondContact O-N 3.15Å; F312-S316 VanDerWaalsContact O-CB 3.31Å; F312-S316 WeakPolarHBondContact O-CB 3.42Å; F312-S316 PolarHBondContact O-N 3.22Å; F312-S316 PolarHBondContact O-OG 3.01Å |
| 313 | E | 89.5 | Confident | 93.6 | Very high | 16 Ų | 16 | 9.9 Ų | 9.9 | 8% | 0.075 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -69.7 | -40.2 | -166.9 | -175.6 | 65.1 | -164.5 | 0 | 0 | 112.1 | F214 V309 S316 S317 V492 | F214-E313 HydrophobicContact CD2-CB 4.38Å; F214-E313 HydrophobicContact CD2-CG 4.12Å; F214-E313 HydrophobicContact CE1-CB 4.43Å; F214-E313 HydrophobicContact CE1-CG 4.13Å; F214-E313 HydrophobicContact CE2-CB 3.52Å; F214-E313 HydrophobicContact CE2-CG 3.68Å; F214-E313 HydrophobicContact CZ-CB 3.53Å; F214-E313 HydrophobicContact CZ-CG 3.67Å; V309-E313 PolarHBondContact O-N 3.23Å; E313-S316 WeakPolarHBondContact CA-OG 3.45Å; E313-S316 PolarHBondContact O-OG 3.22Å; E313-S317 VanDerWaalsContact O-CB 3.31Å; E313-S317 WeakPolarHBondContact O-CB 3.33Å; E313-S317 PolarHBondContact O-N 2.69Å; E313-S317 VanDerWaalsContact O-N 3.09Å; E313-S317 PolarHBondContact O-OG 3.04Å; E313-V492 HydrophobicContact CG-CG2 4.26Å |
| 314 | T | 93.1 | Very high | 93.9 | Very high | 45 Ų | 45 | 10.1 Ų | 10.1 | 28% | 0.276 | 7% | 0.065 | S | C | . | . | H | α-helix | trans | -70.3 | -44.2 | -175.8 | 64.6 | 0 | 0 | 0 | 0 | 112 | A310 F312 T318 L375 | A310-T314 PolarHBondContact O-OG1 3.19Å; F312-T314 PolarHBondContact O-N 3.15Å; T314-T318 PolarHBondContact O-N 3.05Å; T314-T318 PolarHBondContact O-OG1 3.43Å; T314-L375 WeakPolarHBondContact O-CD1 3.44Å |
| 315 | S | 94.9 | Very high | 94.2 | Very high | 8 Ų | 8 | 11 Ų | 11 | 6% | 0.056 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -76.9 | -34.4 | -176.3 | -63 | 0 | 0 | 0 | 0 | 111.6 | T318 M319 Q460 | S315-T318 PolarHBondContact O-N 2.68Å; S315-M319 WeakPolarHBondContact O-CE 3.39Å; S315-M319 PolarHBondContact O-N 3.39Å; S315-Q460 VanDerWaalsContact CB-CD 3.47Å; S315-Q460 PolarHBondContact OG-NE2 3.35Å |
| 316 | S | 95.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 10.8 Ų | 10.8 | 1% | 0.007 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.4 | -45.4 | 172.6 | 52.8 | 0 | 0 | 0 | 0 | 111.8 | M179 T183 F312 E313 T318 M319 S320 | M179-S316 VanDerWaalsContact C-CB 3.46Å; M179-S316 WeakPolarHBondContact O-CB 3.32Å; T183-S316 WeakPolarHBondContact OG1-CB 3.43Å; F312-S316 VanDerWaalsContact O-CB 3.31Å; F312-S316 WeakPolarHBondContact O-CB 3.42Å; F312-S316 PolarHBondContact O-N 3.22Å; F312-S316 PolarHBondContact O-OG 3.01Å; E313-S316 WeakPolarHBondContact CA-OG 3.45Å; E313-S316 PolarHBondContact O-OG 3.22Å; S316-T318 PolarHBondContact O-N 2.85Å; S316-M319 PolarHBondContact O-N 3.43Å; S316-S320 WeakPolarHBondContact O-CB 3.34Å; S316-S320 PolarHBondContact O-N 3.29Å; S316-S320 PolarHBondContact O-OG 2.96Å |
| 317 | S | 95.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 10 Ų | 10 | 1% | 0.014 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -60.5 | -45.1 | 175.7 | -62.5 | 0 | 0 | 0 | 0 | 111.6 | E313 M319 S320 Y321 | E313-S317 VanDerWaalsContact O-CB 3.31Å; E313-S317 WeakPolarHBondContact O-CB 3.33Å; E313-S317 PolarHBondContact O-N 2.69Å; E313-S317 VanDerWaalsContact O-N 3.09Å; E313-S317 PolarHBondContact O-OG 3.04Å; S317-M319 PolarHBondContact O-N 2.97Å; S317-S320 PolarHBondContact O-N 2.86Å; S317-Y321 WeakPolarHBondContact O-CD2 2.98Å; S317-Y321 PolarHBondContact O-N 3.46Å |
| 318 | T | 97.8 | Very high | 95.1 | Very high | 12 Ų | 12 | 12.3 Ų | 12.3 | 7% | 0.074 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -57.6 | -50 | 177.6 | -56.5 | 0 | 0 | 0 | 0 | 111.7 | T314 S315 S316 S320 Y321 C322 L370 L375 | T314-T318 PolarHBondContact O-N 3.05Å; T314-T318 PolarHBondContact O-OG1 3.43Å; S315-T318 PolarHBondContact O-N 2.68Å; S316-T318 PolarHBondContact O-N 2.85Å; T318-S320 VanDerWaalsContact C-N 3.3Å; T318-S320 PolarHBondContact O-N 3.38Å; T318-Y321 PolarHBondContact O-N 3.13Å; T318-C322 WeakPolarHBondContact O-CB 3.49Å; T318-C322 PolarHBondContact O-N 2.98Å; T318-L370 HydrophobicContact CG2-CD2 3.71Å; T318-L370 HydrophobicContact CG2-CG 3.98Å; T318-L375 WeakPolarHBondContact OG1-CD1 3.31Å |
| 319 | M | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.4 | -37.6 | 178.6 | -71.2 | -175.4 | -72.8 | 0 | 0 | 111.8 | M179 F182 T183 S315 S316 S317 C322 L323 A461 L465 | M179-M319 HydrophobicContact CB-CE 4.46Å; M179-M319 HydrophobicContact CG-CB 3.84Å; M179-M319 HydrophobicContact SD-CB 3.79Å; M179-M319 HydrophobicContact SD-CE 4.27Å; M179-M319 HydrophobicContact SD-SD 4.2Å; F182-M319 HydrophobicContact CD1-CE 3.65Å; F182-M319 HydrophobicContact CD1-SD 4.19Å; F182-M319 HydrophobicContact CE1-CE 3.87Å; F182-M319 HydrophobicContact CE1-SD 3.97Å; T183-M319 HydrophobicContact CG2-CE 3.28Å; S315-M319 WeakPolarHBondContact O-CE 3.39Å; S315-M319 PolarHBondContact O-N 3.39Å; S316-M319 PolarHBondContact O-N 3.43Å; S317-M319 PolarHBondContact O-N 2.97Å; M319-C322 PolarHBondContact O-N 3.48Å; M319-L323 WeakPolarHBondContact O-CB 3.29Å; M319-L323 VanDerWaalsContact O-CG 3.27Å; M319-L323 WeakPolarHBondContact O-CG 3.4Å; M319-L323 PolarHBondContact O-N 2.99Å; M319-A461 HydrophobicContact CG-CB 4.09Å; M319-L465 HydrophobicContact CB-CD2 4.32Å; M319-L465 HydrophobicContact CB-CG 4.49Å; M319-L465 HydrophobicContact CG-CD1 4.36Å; M319-L465 HydrophobicContact CG-CD2 4.4Å; M319-L465 HydrophobicContact CG-CG 4.04Å |
| 320 | S | 98.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.007 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -66.1 | -43.4 | 179.7 | -52.4 | 0 | 0 | 0 | 0 | 112.1 | K176 M179 S316 S317 T318 L323 Y324 | K176-S320 WeakPolarHBondContact CA-OG 3.5Å; M179-S320 WeakPolarHBondContact CG-OG 3.01Å; S316-S320 WeakPolarHBondContact O-CB 3.34Å; S316-S320 PolarHBondContact O-N 3.29Å; S316-S320 PolarHBondContact O-OG 2.96Å; S317-S320 PolarHBondContact O-N 2.86Å; T318-S320 VanDerWaalsContact C-N 3.3Å; T318-S320 PolarHBondContact O-N 3.38Å; S320-L323 PolarHBondContact O-N 2.78Å; S320-Y324 WeakPolarHBondContact O-CB 3.32Å; S320-Y324 PolarHBondContact O-N 3.3Å |
| 321 | Y | 98.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 19.1 Ų | 19.1 | 1% | 0.012 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.4 | -38.1 | 174.9 | -65.5 | -48.3 | 0 | 0 | 0 | 112.1 | S317 T318 Y324 E325 Y373 L375 L484 Y486 L493 T495 I499 | S317-Y321 WeakPolarHBondContact O-CD2 2.98Å; S317-Y321 PolarHBondContact O-N 3.46Å; T318-Y321 PolarHBondContact O-N 3.13Å; Y321-Y324 WeakPolarHBondContact O-CB 3.34Å; Y321-Y324 PolarHBondContact O-N 2.84Å; Y321-E325 WeakPolarHBondContact O-CG 3.31Å; Y321-E325 PolarHBondContact O-N 2.76Å; Y321-Y373 AromaticContact CD1-CD1 3.52Å; Y321-Y373 HydrophobicContact CD1-CD1 3.52Å; Y321-Y373 AromaticContact CD1-CE1 3.63Å; Y321-Y373 HydrophobicContact CD1-CE1 3.63Å; Y321-Y373 HydrophobicContact CD1-CG 4.07Å; Y321-Y373 AromaticContact CD2-CD1 3.88Å; Y321-Y373 HydrophobicContact CD2-CD1 3.88Å; Y321-Y373 AromaticContact CD2-CG 3.79Å; Y321-Y373 HydrophobicContact CD2-CG 3.79Å; Y321-Y373 AromaticContact CE1-CD1 3.9Å; Y321-Y373 HydrophobicContact CE1-CD1 3.9Å; Y321-Y373 HydrophobicContact CE1-CE1 4.13Å; Y321-Y373 HydrophobicContact CE2-CD1 4.22Å; Y321-Y373 HydrophobicContact CE2-CG 4.45Å; Y321-Y373 AromaticContact CG-CD1 3.53Å; Y321-Y373 HydrophobicContact CG-CD1 3.53Å; Y321-Y373 HydrophobicContact CG-CD2 4.13Å; Y321-Y373 HydrophobicContact CG-CE1 4Å; Y321-Y373 AromaticContact CG-CG 3.58Å; Y321-Y373 HydrophobicContact CG-CG 3.58Å; Y321-L375 HydrophobicContact CD2-CD2 4.1Å; Y321-L375 HydrophobicContact CE2-CD2 3.63Å; Y321-L484 HydrophobicContact CD1-CD1 3.86Å; Y321-L484 HydrophobicContact CE1-CD1 3.83Å; Y321-Y486 HydrophobicContact CE1-CE1 4.12Å; Y321-L493 PolarHBondContact OH-O 3.26Å; Y321-T495 HydrophobicContact CE1-CG2 3.72Å; Y321-I499 HydrophobicContact CD1-CD1 3.88Å; Y321-I499 HydrophobicContact CE1-CD1 3.99Å |
| 322 | C | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60 | -48.6 | 174.2 | -178.1 | 0 | 0 | 0 | 0 | 111 | T318 M319 Y324 E325 L326 T369 L465 | T318-C322 WeakPolarHBondContact O-CB 3.49Å; T318-C322 PolarHBondContact O-N 2.98Å; M319-C322 PolarHBondContact O-N 3.48Å; C322-Y324 VanDerWaalsContact C-N 3.32Å; C322-Y324 PolarHBondContact O-N 2.81Å; C322-E325 PolarHBondContact O-N 2.94Å; C322-L326 WeakPolarHBondContact O-CB 3.11Å; C322-L326 VanDerWaalsContact O-CG 3.27Å; C322-L326 WeakPolarHBondContact O-CG 3.14Å; C322-L326 PolarHBondContact O-N 2.71Å; C322-T369 HydrophobicContact CB-CG2 3.9Å; C322-L465 HydrophobicContact CB-CD1 4.07Å; C322-L465 HydrophobicContact CB-CD2 4Å |
| 323 | L | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.3 | -36.1 | 177.7 | -68.5 | 169.3 | 0 | 0 | 0 | 112.5 | I175 M179 M319 S320 A327 L465 I468 I469 V474 L501 | I175-L323 HydrophobicContact CG2-CB 4.18Å; I175-L323 HydrophobicContact CG2-CD1 3.48Å; I175-L323 VanDerWaalsContact CG2-CD1 3.48Å; I175-L323 HydrophobicContact CG2-CG 4.48Å; M179-L323 HydrophobicContact CE-CD1 4.36Å; M179-L323 HydrophobicContact SD-CD1 4.04Å; M319-L323 WeakPolarHBondContact O-CB 3.29Å; M319-L323 VanDerWaalsContact O-CG 3.27Å; M319-L323 WeakPolarHBondContact O-CG 3.4Å; M319-L323 PolarHBondContact O-N 2.99Å; S320-L323 PolarHBondContact O-N 2.78Å; L323-A327 VanDerWaalsContact O-CB 3.3Å; L323-A327 WeakPolarHBondContact O-CB 3.39Å; L323-A327 PolarHBondContact O-N 3.48Å; L323-L465 HydrophobicContact CD1-CD2 4.46Å; L323-L465 HydrophobicContact CD2-CD2 3.85Å; L323-L465 HydrophobicContact CG-CD2 3.8Å; L323-I468 HydrophobicContact CD1-CD1 3.71Å; L323-I468 HydrophobicContact CD2-CD1 4.35Å; L323-I468 HydrophobicContact CD2-CG2 4.02Å; L323-I469 HydrophobicContact CD2-CD1 3.94Å; L323-V474 HydrophobicContact CD2-CG2 4.24Å; L323-L501 HydrophobicContact CB-CD1 4.06Å; L323-L501 WeakPolarHBondContact O-CD1 3.3Å |
| 324 | Y | 98.7 | Very high | 97.8 | Very high | 6 Ų | 6 | 21 Ų | 21 | 2% | 0.024 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.9 | -46.2 | 172.8 | 171.9 | -95.9 | 0 | 0 | 0 | 111.6 | S320 Y321 C322 A327 Q328 Y373 T480 I482 L484 I499 | S320-Y324 WeakPolarHBondContact O-CB 3.32Å; S320-Y324 PolarHBondContact O-N 3.3Å; Y321-Y324 WeakPolarHBondContact O-CB 3.34Å; Y321-Y324 PolarHBondContact O-N 2.84Å; C322-Y324 VanDerWaalsContact C-N 3.32Å; C322-Y324 PolarHBondContact O-N 2.81Å; Y324-A327 PolarHBondContact O-N 3.32Å; Y324-Q328 PolarHBondContact O-N 3.14Å; Y324-Q328 PolarHBondContact OH-OE1 2.95Å; Y324-Y373 VanDerWaalsContact CD1-OH 3.24Å; Y324-Y373 WeakPolarHBondContact CD1-OH 3.41Å; Y324-Y373 VanDerWaalsContact CE1-OH 3.28Å; Y324-Y373 WeakPolarHBondContact CE1-OH 3.32Å; Y324-T480 HydrophobicContact CD2-CG2 4.2Å; Y324-T480 HydrophobicContact CE2-CG2 3.98Å; Y324-I482 HydrophobicContact CE2-CG1 4.34Å; Y324-L484 HydrophobicContact CD1-CD1 3.83Å; Y324-L484 HydrophobicContact CD1-CG 4.39Å; Y324-L484 HydrophobicContact CD2-CD1 4.11Å; Y324-L484 HydrophobicContact CD2-CD2 4.06Å; Y324-L484 HydrophobicContact CD2-CG 4.16Å; Y324-L484 HydrophobicContact CE1-CD1 3.87Å; Y324-L484 HydrophobicContact CE1-CG 4.01Å; Y324-L484 HydrophobicContact CE2-CD1 4.13Å; Y324-L484 HydrophobicContact CE2-CD2 3.79Å; Y324-L484 HydrophobicContact CE2-CG 3.73Å; Y324-L484 HydrophobicContact CG-CD1 3.97Å; Y324-L484 HydrophobicContact CG-CG 4.48Å; Y324-I499 HydrophobicContact CD2-CG2 4.13Å |
| 325 | E | 98.7 | Very high | 98.1 | Very high | 19 Ų | 19 | 24.6 Ų | 24.6 | 9% | 0.089 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.7 | -41.8 | 177.1 | -70.6 | -69.2 | -169.3 | 0 | 0 | 112.7 | Y321 C322 A327 Q328 N329 Y373 F423 | Y321-E325 WeakPolarHBondContact O-CG 3.31Å; Y321-E325 PolarHBondContact O-N 2.76Å; C322-E325 PolarHBondContact O-N 2.94Å; E325-A327 PolarHBondContact O-N 2.99Å; E325-Q328 PolarHBondContact O-N 3.21Å; E325-Q328 VanDerWaalsContact O-N 3.15Å; E325-Q328 PolarHBondContact OE2-NE2 3.09Å; E325-N329 WeakPolarHBondContact O-CB 3.46Å; E325-N329 PolarHBondContact O-N 2.93Å; E325-N329 PolarHBondContact O-ND2 2.89Å; E325-Y373 HydrophobicContact CG-CE2 3.57Å; E325-Y373 VanDerWaalsContact OE1-CE2 3.28Å; E325-Y373 WeakPolarHBondContact OE1-CE2 3.18Å; E325-Y373 PolarHBondContact OE1-OH 3.37Å; E325-F423 HydrophobicContact CB-CD1 4.24Å; E325-F423 HydrophobicContact CB-CD2 3.67Å; E325-F423 HydrophobicContact CB-CE1 4.23Å; E325-F423 HydrophobicContact CB-CE2 3.7Å; E325-F423 HydrophobicContact CB-CG 4Å; E325-F423 HydrophobicContact CB-CZ 3.99Å; E325-F423 HydrophobicContact CG-CD2 3.48Å; E325-F423 VanDerWaalsContact CG-CD2 3.48Å; E325-F423 HydrophobicContact CG-CE2 3.77Å; E325-F423 HydrophobicContact CG-CG 4.11Å |
| 326 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.8 | -32.2 | 174.7 | -70 | 179.1 | 0 | 0 | 0 | 112.3 | C322 Q328 N329 Q330 I332 Q333 L336 V365 I469 | C322-L326 WeakPolarHBondContact O-CB 3.11Å; C322-L326 VanDerWaalsContact O-CG 3.27Å; C322-L326 WeakPolarHBondContact O-CG 3.14Å; C322-L326 PolarHBondContact O-N 2.71Å; L326-Q328 VanDerWaalsContact C-N 3.33Å; L326-N329 CarbonylContact O-C 3.56Å; L326-N329 PolarHBondContact O-N 3.01Å; L326-Q330 PolarHBondContact O-NE2 3.38Å; L326-I332 HydrophobicContact CD2-CB 4.46Å; L326-I332 HydrophobicContact CD2-CG2 3.81Å; L326-Q333 HydrophobicContact CB-CB 4.24Å; L326-Q333 HydrophobicContact CB-CG 4.19Å; L326-Q333 HydrophobicContact CD2-CB 4.2Å; L326-Q333 PolarHBondContact O-NE2 3.03Å; L326-L336 HydrophobicContact CD1-CD2 3.76Å; L326-L336 HydrophobicContact CD2-CD2 4.23Å; L326-V365 HydrophobicContact CD1-CG1 4.46Å; L326-V365 HydrophobicContact CD2-CG1 4Å; L326-V365 HydrophobicContact CG-CG1 4.37Å; L326-I469 HydrophobicContact CD1-CD1 3.8Å; L326-I469 HydrophobicContact CD1-CG1 4.05Å |
| 327 | A | 98.5 | Very high | 98.4 | Very high | 4 Ų | 4 | 24.7 Ų | 24.7 | 3% | 0.033 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68.1 | -34.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L323 Y324 E325 Q330 V474 L476 L501 | L323-A327 VanDerWaalsContact O-CB 3.3Å; L323-A327 WeakPolarHBondContact O-CB 3.39Å; L323-A327 PolarHBondContact O-N 3.48Å; Y324-A327 PolarHBondContact O-N 3.32Å; E325-A327 PolarHBondContact O-N 2.99Å; A327-Q330 PolarHBondContact O-NE2 2.9Å; A327-V474 HydrophobicContact CB-CG1 4.24Å; A327-L476 HydrophobicContact CB-CD2 3.99Å; A327-L501 HydrophobicContact CB-CD1 4.05Å; A327-L501 HydrophobicContact CB-CD2 3.78Å; A327-L501 HydrophobicContact CB-CG 4.5Å |
| 328 | Q | 98.2 | Very high | 98.5 | Very high | 67 Ų | 67 | 29 Ų | 29 | 31% | 0.313 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -77.9 | -28.6 | 174.5 | -64.7 | 179.4 | 111.4 | 0 | 0 | 112.7 | Y324 E325 L326 L476 | Y324-Q328 PolarHBondContact O-N 3.14Å; Y324-Q328 PolarHBondContact OH-OE1 2.95Å; E325-Q328 PolarHBondContact O-N 3.21Å; E325-Q328 VanDerWaalsContact O-N 3.15Å; E325-Q328 PolarHBondContact OE2-NE2 3.09Å; L326-Q328 VanDerWaalsContact C-N 3.33Å; Q328-L476 HydrophobicContact CG-CD1 4.27Å; Q328-L476 HydrophobicContact CG-CD2 3.81Å; Q328-L476 HydrophobicContact CG-CG 4.49Å |
| 329 | N | 98.4 | Very high | 98.5 | Very high | 45 Ų | 45 | 30.3 Ų | 30.3 | 24% | 0.241 | 15% | 0.147 | C | C | . | . | trans | -118.7 | 77.2 | -174.6 | -57.6 | -82.7 | 0 | 0 | 0 | 111 | E325 L326 D331 I332 Q333 | E325-N329 WeakPolarHBondContact O-CB 3.46Å; E325-N329 PolarHBondContact O-N 2.93Å; E325-N329 PolarHBondContact O-ND2 2.89Å; L326-N329 CarbonylContact O-C 3.56Å; L326-N329 PolarHBondContact O-N 3.01Å; N329-D331 VanDerWaalsContact C-N 3.29Å; N329-D331 PolarHBondContact O-N 2.87Å; N329-I332 HydrophobicContact CB-CB 4.09Å; N329-I332 HydrophobicContact CB-CD1 3.8Å; N329-I332 HydrophobicContact CB-CG1 4.07Å; N329-I332 PolarHBondContact O-N 3.32Å; N329-Q333 PolarHBondContact O-N 2.97Å | ||
| 330 | Q | 98.3 | Very high | 98.5 | Very high | 51 Ų | 51 | 30.3 Ų | 30.3 | 24% | 0.238 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.2 | -31.4 | -174.3 | -67.6 | -64.3 | -57.3 | 0 | 0 | 113.3 | L326 A327 Q333 D334 R473 V474 | L326-Q330 PolarHBondContact O-NE2 3.38Å; A327-Q330 PolarHBondContact O-NE2 2.9Å; Q330-Q333 WeakPolarHBondContact O-CB 3.21Å; Q330-Q333 PolarHBondContact O-N 3.48Å; Q330-D334 WeakPolarHBondContact O-CB 3.49Å; Q330-D334 PolarHBondContact O-N 3.11Å; Q330-R473 VanDerWaalsContact OE1-NH1 3.07Å; Q330-V474 PolarHBondContact NE2-O 2.67Å |
| 331 | D | 98.5 | Very high | 98.4 | Very high | 112 Ų | 112 | 33.6 Ų | 33.6 | 60% | 0.599 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -63.4 | -42.5 | 174.7 | 62.7 | -55.4 | 0 | 0 | 0 | 111.8 | N329 Q333 D334 R335 | N329-D331 VanDerWaalsContact C-N 3.29Å; N329-D331 PolarHBondContact O-N 2.87Å; D331-Q333 VanDerWaalsContact C-N 3.35Å; D331-D334 PolarHBondContact O-N 3.18Å; D331-R335 WeakPolarHBondContact O-CB 3.23Å; D331-R335 PolarHBondContact O-N 3.27Å |
| 332 | I | 98.8 | Very high | 98.3 | Very high | 13 Ų | 13 | 36.8 Ų | 36.8 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.1 | -41 | 174.5 | -62.7 | 177.8 | 0 | 0 | 0 | 110.1 | L326 N329 R335 L336 Y361 V365 F423 P425 | L326-I332 HydrophobicContact CD2-CB 4.46Å; L326-I332 HydrophobicContact CD2-CG2 3.81Å; N329-I332 HydrophobicContact CB-CB 4.09Å; N329-I332 HydrophobicContact CB-CD1 3.8Å; N329-I332 HydrophobicContact CB-CG1 4.07Å; N329-I332 PolarHBondContact O-N 3.32Å; I332-R335 PolarHBondContact O-N 3.47Å; I332-L336 VanDerWaalsContact O-CB 3.3Å; I332-L336 WeakPolarHBondContact O-CB 3.46Å; I332-L336 PolarHBondContact O-N 2.59Å; I332-Y361 HydrophobicContact CG2-CE1 4.15Å; I332-V365 HydrophobicContact CG2-CG2 4.11Å; I332-F423 HydrophobicContact CD1-CD1 3.74Å; I332-F423 HydrophobicContact CD1-CE1 4.16Å; I332-F423 HydrophobicContact CG2-CE1 4.22Å; I332-P425 HydrophobicContact CD1-CG 4.2Å; I332-P425 HydrophobicContact CG2-CG 3.91Å |
| 333 | Q | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.9 | -43.7 | 176.8 | -166.3 | -176.1 | 137 | 0 | 0 | 112.3 | L326 N329 Q330 D331 L336 R337 I469 V474 | L326-Q333 HydrophobicContact CB-CB 4.24Å; L326-Q333 HydrophobicContact CB-CG 4.19Å; L326-Q333 HydrophobicContact CD2-CB 4.2Å; L326-Q333 PolarHBondContact O-NE2 3.03Å; N329-Q333 PolarHBondContact O-N 2.97Å; Q330-Q333 WeakPolarHBondContact O-CB 3.21Å; Q330-Q333 PolarHBondContact O-N 3.48Å; D331-Q333 VanDerWaalsContact C-N 3.35Å; Q333-L336 PolarHBondContact O-N 2.85Å; Q333-R337 WeakPolarHBondContact O-CB 3.22Å; Q333-R337 PolarHBondContact O-N 3.29Å; Q333-I469 HydrophobicContact CG-CD1 4.04Å; Q333-I469 HydrophobicContact CG-CG2 4.48Å; Q333-V474 PolarHBondContact NE2-O 3.23Å |
| 334 | D | 98.6 | Very high | 97.9 | Very high | 51 Ų | 51 | 38.4 Ų | 38.4 | 27% | 0.273 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -66.5 | -42.1 | 179.1 | -71.2 | -20.5 | 0 | 0 | 0 | 111 | Q330 D331 R337 N338 R473 | Q330-D334 WeakPolarHBondContact O-CB 3.49Å; Q330-D334 PolarHBondContact O-N 3.11Å; D331-D334 PolarHBondContact O-N 3.18Å; D334-R337 PolarHBondContact O-N 2.89Å; D334-R337 IonicContact OD1-CZ 3.64Å; D334-R337 IonicContact OD1-NH1 2.97Å; D334-R337 PolarHBondContact OD1-NH1 2.98Å; D334-N338 PolarHBondContact O-N 2.99Å; D334-N338 PolarHBondContact O-ND2 3.41Å; D334-N338 PolarHBondContact O-OD1 2.85Å; D334-R473 IonicContact OD1-CZ 3.34Å; D334-R473 IonicContact OD1-NH1 3.76Å; D334-R473 PolarHBondContact OD1-NH1 2.67Å; D334-R473 IonicContact OD1-NH2 3.73Å; D334-R473 PolarHBondContact OD1-NH2 2.9Å; D334-R473 IonicContact OD2-NH1 3.15Å; D334-R473 IonicContact OD2-NH2 3.79Å |
| 335 | R | 98.5 | Very high | 97.6 | Very high | 120 Ų | 120 | 45.1 Ų | 45.1 | 45% | 0.453 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.9 | -44.5 | 172.8 | 179.9 | 174.4 | 171.1 | -161.4 | -2.8 | 112.4 | D331 I332 R337 N338 E339 Y361 E426 | D331-R335 WeakPolarHBondContact O-CB 3.23Å; D331-R335 PolarHBondContact O-N 3.27Å; I332-R335 PolarHBondContact O-N 3.47Å; R335-R337 VanDerWaalsContact C-N 3.33Å; R335-N338 PolarHBondContact O-N 3.46Å; R335-E339 PolarHBondContact O-N 3.43Å; R335-E339 VanDerWaalsContact O-N 3.12Å; R335-Y361 HydrophobicContact CB-CE1 4.04Å; R335-Y361 HydrophobicContact CG-CD1 4.05Å; R335-Y361 HydrophobicContact CG-CE1 3.72Å; R335-Y361 VanDerWaalsContact NH1-CE2 3.29Å; R335-Y361 PolarHBondContact NH1-OH 3.05Å; R335-E426 IonicContact CZ-OE1 3.91Å; R335-E426 IonicContact NH1-OE1 2.69Å; R335-E426 PolarHBondContact NH1-OE1 3.02Å; R335-E426 IonicContact NH2-OE1 2.55Å; R335-E426 PolarHBondContact NH2-OE1 2.98Å |
| 336 | L | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 176.8 | 175.4 | 60.8 | 0 | 0 | 0 | 111.6 | L326 I332 Q333 N338 E339 I340 Y361 L362 V365 I469 | L326-L336 HydrophobicContact CD1-CD2 3.76Å; L326-L336 HydrophobicContact CD2-CD2 4.23Å; I332-L336 VanDerWaalsContact O-CB 3.3Å; I332-L336 WeakPolarHBondContact O-CB 3.46Å; I332-L336 PolarHBondContact O-N 2.59Å; Q333-L336 PolarHBondContact O-N 2.85Å; L336-N338 VanDerWaalsContact C-N 3.34Å; L336-N338 PolarHBondContact O-N 2.85Å; L336-E339 PolarHBondContact O-N 3.47Å; L336-I340 HydrophobicContact CD1-CD1 3.91Å; L336-I340 HydrophobicContact CD1-CG1 4.27Å; L336-I340 HydrophobicContact CD2-CD1 4.49Å; L336-I340 HydrophobicContact CG-CD1 3.78Å; L336-I340 WeakPolarHBondContact O-CD1 3.46Å; L336-I340 VanDerWaalsContact O-CG1 3.32Å; L336-I340 WeakPolarHBondContact O-CG1 3.4Å; L336-I340 PolarHBondContact O-N 2.82Å; L336-Y361 HydrophobicContact CB-CD1 4.05Å; L336-Y361 HydrophobicContact CB-CE1 4.26Å; L336-Y361 HydrophobicContact CD1-CD1 4.23Å; L336-L362 VanDerWaalsContact CD1-CA 3.45Å; L336-L362 HydrophobicContact CD1-CB 3.7Å; L336-L362 HydrophobicContact CD1-CD1 3.96Å; L336-L362 HydrophobicContact CD1-CG 4.42Å; L336-L362 HydrophobicContact CD2-CD1 4.23Å; L336-V365 HydrophobicContact CD2-CG1 4.24Å; L336-V365 HydrophobicContact CD2-CG2 4.35Å; L336-I469 HydrophobicContact CD2-CG1 4.32Å; L336-I469 HydrophobicContact CD2-CG2 4.33Å; L336-I469 HydrophobicContact CG-CG2 4.22Å |
| 337 | R | 98.4 | Very high | 96.8 | Very high | 11 Ų | 11 | 54 Ų | 54 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 176.1 | -177 | 178.1 | -58.6 | 101.7 | -0.6 | 111.9 | Q333 D334 R335 E339 I340 Q341 I469 F472 | Q333-R337 WeakPolarHBondContact O-CB 3.22Å; Q333-R337 PolarHBondContact O-N 3.29Å; D334-R337 PolarHBondContact O-N 2.89Å; D334-R337 IonicContact OD1-CZ 3.64Å; D334-R337 IonicContact OD1-NH1 2.97Å; D334-R337 PolarHBondContact OD1-NH1 2.98Å; R335-R337 VanDerWaalsContact C-N 3.33Å; R337-E339 VanDerWaalsContact C-N 3.34Å; R337-E339 PolarHBondContact O-N 3.25Å; R337-I340 PolarHBondContact O-N 2.95Å; R337-Q341 HydrophobicContact CG-CG 4.26Å; R337-Q341 WeakPolarHBondContact O-CB 3.43Å; R337-Q341 WeakPolarHBondContact O-CG 3.14Å; R337-Q341 PolarHBondContact O-N 3.34Å; R337-I469 HydrophobicContact CB-CG2 3.84Å; R337-I469 HydrophobicContact CG-CG2 4.48Å; R337-I469 PolarHBondContact NE-O 3.05Å; R337-F472 PolarHBondContact NH2-O 2.97Å |
| 338 | N | 98.3 | Very high | 96.3 | Very high | 93 Ų | 93 | 62.1 Ų | 62.1 | 50% | 0.497 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.1 | -45.8 | 178.1 | -67.8 | -15.1 | 0 | 0 | 0 | 111 | D334 R335 L336 I340 Q341 T342 | D334-N338 PolarHBondContact O-N 2.99Å; D334-N338 PolarHBondContact O-ND2 3.41Å; D334-N338 PolarHBondContact O-OD1 2.85Å; R335-N338 PolarHBondContact O-N 3.46Å; L336-N338 VanDerWaalsContact C-N 3.34Å; L336-N338 PolarHBondContact O-N 2.85Å; N338-I340 PolarHBondContact O-N 2.87Å; N338-Q341 PolarHBondContact O-N 2.85Å; N338-T342 PolarHBondContact O-N 2.86Å; N338-T342 PolarHBondContact O-OG1 2.86Å; N338-T342 VanDerWaalsContact O-OG1 3.04Å |
| 339 | E | 98.3 | Very high | 95.5 | Very high | 40 Ų | 40 | 61.4 Ų | 61.4 | 19% | 0.187 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.3 | -49.5 | 174.1 | 178.8 | -175.3 | -115 | 0 | 0 | 111.5 | R335 L336 R337 Q341 T342 V343 T360 Y361 L362 | R335-E339 PolarHBondContact O-N 3.43Å; R335-E339 VanDerWaalsContact O-N 3.12Å; L336-E339 PolarHBondContact O-N 3.47Å; R337-E339 VanDerWaalsContact C-N 3.34Å; R337-E339 PolarHBondContact O-N 3.25Å; E339-Q341 VanDerWaalsContact C-N 3.32Å; E339-Q341 PolarHBondContact O-N 3.34Å; E339-T342 PolarHBondContact O-N 3.18Å; E339-V343 HydrophobicContact CG-CG2 4.32Å; E339-V343 WeakPolarHBondContact O-CB 3.36Å; E339-V343 WeakPolarHBondContact O-CG2 3.19Å; E339-V343 PolarHBondContact O-N 2.91Å; E339-T360 PolarHBondContact OE1-N 2.82Å; E339-T360 PolarHBondContact OE2-N 3.5Å; E339-Y361 VanDerWaalsContact CD-CB 3.46Å; E339-Y361 VanDerWaalsContact CD-N 3.27Å; E339-Y361 WeakPolarHBondContact OE1-CB 3.32Å; E339-Y361 PolarHBondContact OE1-N 2.97Å; E339-Y361 WeakPolarHBondContact OE2-CA 3.48Å; E339-Y361 WeakPolarHBondContact OE2-CB 3.41Å; E339-Y361 PolarHBondContact OE2-N 3.39Å; E339-L362 PolarHBondContact OE2-N 3.19Å |
| 340 | I | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.4 | -43.5 | -177.7 | -66.8 | 159.7 | 0 | 0 | 0 | 110.7 | L336 R337 N338 L344 M359 A466 I469 | L336-I340 HydrophobicContact CD1-CD1 3.91Å; L336-I340 HydrophobicContact CD1-CG1 4.27Å; L336-I340 HydrophobicContact CD2-CD1 4.49Å; L336-I340 HydrophobicContact CG-CD1 3.78Å; L336-I340 WeakPolarHBondContact O-CD1 3.46Å; L336-I340 VanDerWaalsContact O-CG1 3.32Å; L336-I340 WeakPolarHBondContact O-CG1 3.4Å; L336-I340 PolarHBondContact O-N 2.82Å; R337-I340 PolarHBondContact O-N 2.95Å; N338-I340 PolarHBondContact O-N 2.87Å; I340-L344 HydrophobicContact CG2-CD1 3.8Å; I340-L344 HydrophobicContact CG2-CG 4.31Å; I340-L344 WeakPolarHBondContact O-CB 3.48Å; I340-L344 WeakPolarHBondContact O-CG 3.34Å; I340-L344 PolarHBondContact O-N 2.87Å; I340-M359 HydrophobicContact CG1-SD 4.14Å; I340-M359 HydrophobicContact CG2-CE 4.06Å; I340-A466 HydrophobicContact CD1-CB 4.45Å; I340-A466 HydrophobicContact CG2-CB 4.37Å; I340-I469 HydrophobicContact CD1-CB 3.96Å; I340-I469 HydrophobicContact CD1-CG2 3.91Å |
| 341 | Q | 95.9 | Very high | 94.5 | Very high | 70 Ų | 70 | 63.5 Ų | 63.5 | 33% | 0.327 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.9 | -47.9 | 178.9 | -74.7 | 178.5 | -16.8 | 0 | 0 | 111.5 | R337 N338 E339 V343 L344 E345 | R337-Q341 HydrophobicContact CG-CG 4.26Å; R337-Q341 WeakPolarHBondContact O-CB 3.43Å; R337-Q341 WeakPolarHBondContact O-CG 3.14Å; R337-Q341 PolarHBondContact O-N 3.34Å; N338-Q341 PolarHBondContact O-N 2.85Å; E339-Q341 VanDerWaalsContact C-N 3.32Å; E339-Q341 PolarHBondContact O-N 3.34Å; Q341-V343 PolarHBondContact O-N 3.47Å; Q341-L344 PolarHBondContact O-N 2.95Å; Q341-E345 WeakPolarHBondContact O-CG 3.34Å; Q341-E345 PolarHBondContact O-N 2.87Å |
| 342 | T | 96.6 | Very high | 94.1 | Very high | 70 Ų | 70 | 60 Ų | 60 | 43% | 0.429 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.8 | -48 | 176.7 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | N338 E339 L344 E345 E346 | N338-T342 PolarHBondContact O-N 2.86Å; N338-T342 PolarHBondContact O-OG1 2.86Å; N338-T342 VanDerWaalsContact O-OG1 3.04Å; E339-T342 PolarHBondContact O-N 3.18Å; T342-L344 VanDerWaalsContact C-N 3.3Å; T342-L344 PolarHBondContact O-N 2.81Å; T342-E345 PolarHBondContact O-N 3.47Å; T342-E346 WeakPolarHBondContact O-CG 3.31Å; T342-E346 PolarHBondContact O-N 3.02Å; T342-E346 VanDerWaalsContact O-N 3.08Å |
| 343 | V | 96.1 | Very high | 93.6 | Very high | 13 Ų | 13 | 62.3 Ų | 62.3 | 8% | 0.079 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.5 | -35.8 | 179.3 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | E339 Q341 Q347 S355 A358 M359 | E339-V343 HydrophobicContact CG-CG2 4.32Å; E339-V343 WeakPolarHBondContact O-CB 3.36Å; E339-V343 WeakPolarHBondContact O-CG2 3.19Å; E339-V343 PolarHBondContact O-N 2.91Å; Q341-V343 PolarHBondContact O-N 3.47Å; V343-Q347 WeakPolarHBondContact O-CB 3.44Å; V343-Q347 WeakPolarHBondContact O-CG 2.94Å; V343-Q347 PolarHBondContact O-N 2.76Å; V343-S355 WeakPolarHBondContact CG1-O 3.48Å; V343-A358 HydrophobicContact CG1-CB 4.07Å; V343-A358 HydrophobicContact CG2-CB 4.41Å; V343-M359 HydrophobicContact CB-CE 4.33Å; V343-M359 HydrophobicContact CB-CG 4.29Å; V343-M359 HydrophobicContact CG1-CE 3.97Å; V343-M359 HydrophobicContact CG1-CG 4.08Å; V343-M359 HydrophobicContact CG2-CG 4.3Å |
| 344 | L | 93.4 | Very high | 93.1 | Very high | 21 Ų | 21 | 66.1 Ų | 66.1 | 11% | 0.11 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69 | -41.8 | 176 | -74.9 | 174.4 | 0 | 0 | 0 | 111.9 | I340 Q341 T342 E346 Q347 E348 G349 L351 | I340-L344 HydrophobicContact CG2-CD1 3.8Å; I340-L344 HydrophobicContact CG2-CG 4.31Å; I340-L344 WeakPolarHBondContact O-CB 3.48Å; I340-L344 WeakPolarHBondContact O-CG 3.34Å; I340-L344 PolarHBondContact O-N 2.87Å; Q341-L344 PolarHBondContact O-N 2.95Å; T342-L344 VanDerWaalsContact C-N 3.3Å; T342-L344 PolarHBondContact O-N 2.81Å; L344-E346 VanDerWaalsContact C-N 3.32Å; L344-E346 PolarHBondContact O-N 2.84Å; L344-Q347 CarbonylContact O-C 3.54Å; L344-Q347 VanDerWaalsContact O-C 3.3Å; L344-Q347 WeakPolarHBondContact O-CA 3.28Å; L344-Q347 PolarHBondContact O-N 3.35Å; L344-E348 PolarHBondContact O-N 3.47Å; L344-G349 WeakPolarHBondContact O-CA 3.33Å; L344-G349 PolarHBondContact O-N 3.4Å; L344-L351 HydrophobicContact CD2-CD2 3.63Å; L344-L351 HydrophobicContact CD2-CG 3.85Å |
| 345 | E | 92.6 | Very high | 92.7 | Very high | 148 Ų | 148 | 63.7 Ų | 63.7 | 69% | 0.692 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -59.2 | -43.2 | 176.1 | -73.8 | 170.8 | -176.3 | 0 | 0 | 111.6 | Q341 T342 Q347 E348 | Q341-E345 WeakPolarHBondContact O-CG 3.34Å; Q341-E345 PolarHBondContact O-N 2.87Å; T342-E345 PolarHBondContact O-N 3.47Å; E345-Q347 PolarHBondContact O-N 3.39Å; E345-E348 PolarHBondContact O-N 2.85Å |
| 346 | E | 91 | Very high | 92.4 | Very high | 136 Ų | 136 | 58.3 Ų | 58.3 | 64% | 0.636 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -17.9 | 174.4 | -69.8 | 176.6 | 176 | 0 | 0 | 113.8 | T342 L344 | T342-E346 WeakPolarHBondContact O-CG 3.31Å; T342-E346 PolarHBondContact O-N 3.02Å; T342-E346 VanDerWaalsContact O-N 3.08Å; L344-E346 VanDerWaalsContact C-N 3.32Å; L344-E346 PolarHBondContact O-N 2.84Å |
| 347 | Q | 88.7 | Confident | 92 | Very high | 69 Ų | 69 | 65 Ų | 65 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 28.8 | -176.2 | -61.8 | -71.7 | -50 | 0 | 0 | 111.9 | V343 L344 E345 G349 Q350 T352 | V343-Q347 WeakPolarHBondContact O-CB 3.44Å; V343-Q347 WeakPolarHBondContact O-CG 2.94Å; V343-Q347 PolarHBondContact O-N 2.76Å; L344-Q347 CarbonylContact O-C 3.54Å; L344-Q347 VanDerWaalsContact O-C 3.3Å; L344-Q347 WeakPolarHBondContact O-CA 3.28Å; L344-Q347 PolarHBondContact O-N 3.35Å; E345-Q347 PolarHBondContact O-N 3.39Å; Q347-G349 PolarHBondContact O-N 2.63Å; Q347-Q350 PolarHBondContact O-N 3.37Å; Q347-T352 PolarHBondContact OE1-OG1 3.4Å |
| 348 | E | 88.2 | Confident | 91.7 | Very high | 175 Ų | 175 | 66.9 Ų | 66.9 | 82% | 0.818 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 32 | 177 | -56.4 | 178.2 | -169.2 | 0 | 0 | 113.6 | L344 E345 Q350 | L344-E348 PolarHBondContact O-N 3.47Å; E345-E348 PolarHBondContact O-N 2.85Å; E348-Q350 VanDerWaalsContact C-N 3.26Å; E348-Q350 PolarHBondContact O-N 2.72Å |
| 349 | G | 82.7 | Confident | 91.6 | Very high | 51 Ų | 51 | 62.4 Ų | 62.4 | 53% | 0.526 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 7.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L344 Q347 | L344-G349 WeakPolarHBondContact O-CA 3.33Å; L344-G349 PolarHBondContact O-N 3.4Å; Q347-G349 PolarHBondContact O-N 2.63Å |
| 350 | Q | 84.8 | Confident | 91.5 | Very high | 120 Ų | 120 | 63.6 Ų | 63.6 | 56% | 0.561 | 33% | 0.329 | S | S | * | . | trans | -102.5 | 135.8 | -175.3 | -60.8 | -171 | 9.8 | 0 | 0 | 112.8 | Q347 E348 T352 | Q347-Q350 PolarHBondContact O-N 3.37Å; E348-Q350 VanDerWaalsContact C-N 3.26Å; E348-Q350 PolarHBondContact O-N 2.72Å; Q350-T352 HydrophobicContact CB-CG2 4.1Å; Q350-T352 PolarHBondContact O-N 2.61Å | ||
| 351 | L | 89.4 | Confident | 91.6 | Very high | 21 Ų | 21 | 64.2 Ų | 64.2 | 11% | 0.11 | 33% | 0.331 | C | S | . | . | trans | -77.3 | 87.6 | 167.6 | -75.1 | 171 | 0 | 0 | 0 | 109.8 | F146 I150 L344 S355 I356 M359 A466 Q467 | F146-L351 WeakPolarHBondContact CE1-O 3.48Å; F146-L351 WeakPolarHBondContact CZ-O 3.24Å; I150-L351 HydrophobicContact CD1-CB 3.8Å; I150-L351 WeakPolarHBondContact CD1-O 3.45Å; L344-L351 HydrophobicContact CD2-CD2 3.63Å; L344-L351 HydrophobicContact CD2-CG 3.85Å; L351-S355 WeakPolarHBondContact CA-OG 3.39Å; L351-I356 HydrophobicContact CD2-CD1 3.82Å; L351-M359 HydrophobicContact CD2-CE 3.85Å; L351-A466 HydrophobicContact CD2-CB 4.24Å; L351-Q467 HydrophobicContact CD1-CG 3.68Å | ||
| 352 | T | 90.5 | Very high | 91.7 | Very high | 38 Ų | 38 | 60.9 Ų | 60.9 | 23% | 0.233 | 32% | 0.316 | C | S | . | . | trans | -88.4 | 164.9 | 172.5 | 72.7 | 0 | 0 | 0 | 0 | 111.7 | F146 Q347 Q350 E354 S355 I356 | F146-T352 VanDerWaalsContact CE1-C 3.43Å; F146-T352 WeakPolarHBondContact CZ-O 3.48Å; Q347-T352 PolarHBondContact OE1-OG1 3.4Å; Q350-T352 HydrophobicContact CB-CG2 4.1Å; Q350-T352 PolarHBondContact O-N 2.61Å; T352-E354 PolarHBondContact O-N 3.19Å; T352-S355 PolarHBondContact N-OG 2.71Å; T352-S355 PolarHBondContact O-N 3.39Å; T352-S355 PolarHBondContact O-OG 2.88Å; T352-S355 PolarHBondContact OG1-N 3.43Å; T352-I356 PolarHBondContact O-N 3.43Å | ||
| 353 | Y | 87.9 | Confident | 91.8 | Very high | 61 Ų | 61 | 59.2 Ų | 59.2 | 24% | 0.239 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.4 | -34.4 | 176 | -173 | -91.4 | 0 | 0 | 0 | 112 | M142 K143 F146 K357 M459 | M142-Y353 HydrophobicContact CB-CE2 4.12Å; K143-Y353 HydrophobicContact CB-CD2 4.24Å; K143-Y353 HydrophobicContact CB-CE2 4.28Å; K143-Y353 HydrophobicContact CB-CG 4.44Å; K143-Y353 HydrophobicContact CD-CD1 4.38Å; K143-Y353 HydrophobicContact CG-CD2 4.45Å; K143-Y353 HydrophobicContact CG-CG 4.23Å; F146-Y353 HydrophobicContact CB-CD2 4.27Å; F146-Y353 AromaticContact CD2-CD2 3.61Å; F146-Y353 HydrophobicContact CD2-CD2 3.61Å; F146-Y353 HydrophobicContact CD2-CG 4.37Å; F146-Y353 VanDerWaalsContact CE1-N 3.28Å; F146-Y353 HydrophobicContact CE2-CD2 4.14Å; F146-Y353 HydrophobicContact CG-CD2 4.05Å; F146-Y353 VanDerWaalsContact CZ-N 3.26Å; Y353-K357 PolarHBondContact O-N 2.85Å; Y353-M459 HydrophobicContact CE2-SD 4.46Å |
| 354 | E | 88.6 | Confident | 91.9 | Very high | 80 Ų | 80 | 59.2 Ų | 59.2 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -75.8 | -36.2 | 178.3 | -53 | -52.8 | 148.9 | 0 | 0 | 111.5 | K143 T352 I356 K357 A358 | K143-E354 IonicContact NZ-OE1 2.83Å; K143-E354 PolarHBondContact NZ-OE1 2.76Å; T352-E354 PolarHBondContact O-N 3.19Å; E354-I356 PolarHBondContact O-N 3.41Å; E354-K357 WeakPolarHBondContact O-CB 3.44Å; E354-K357 PolarHBondContact O-N 3.33Å; E354-K357 VanDerWaalsContact O-N 3.08Å; E354-A358 PolarHBondContact O-N 2.92Å |
| 355 | S | 91.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.3 | -48.1 | 174.5 | 75.6 | 0 | 0 | 0 | 0 | 111.8 | V343 L351 T352 K357 A358 M359 | V343-S355 WeakPolarHBondContact CG1-O 3.48Å; L351-S355 WeakPolarHBondContact CA-OG 3.39Å; T352-S355 PolarHBondContact N-OG 2.71Å; T352-S355 PolarHBondContact O-N 3.39Å; T352-S355 PolarHBondContact O-OG 2.88Å; T352-S355 PolarHBondContact OG1-N 3.43Å; S355-K357 PolarHBondContact O-N 3.22Å; S355-A358 WeakPolarHBondContact O-CB 3.11Å; S355-A358 PolarHBondContact O-N 3.44Å; S355-M359 WeakPolarHBondContact O-CG 3.11Å; S355-M359 PolarHBondContact O-N 3.49Å |
| 356 | I | 91.7 | Very high | 92.4 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.036 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.1 | -31.6 | 178.9 | -68.3 | -63.4 | 0 | 0 | 0 | 111.9 | F146 L351 T352 E354 M359 R462 I463 A466 | F146-I356 HydrophobicContact CE2-CG1 4.15Å; F146-I356 HydrophobicContact CZ-CG1 4.22Å; L351-I356 HydrophobicContact CD2-CD1 3.82Å; T352-I356 PolarHBondContact O-N 3.43Å; E354-I356 PolarHBondContact O-N 3.41Å; I356-M359 HydrophobicContact CD1-CE 4.43Å; I356-M359 HydrophobicContact CD1-SD 4.09Å; I356-R462 HydrophobicContact CD1-CB 4.4Å; I356-R462 HydrophobicContact CG2-CB 3.69Å; I356-R462 VanDerWaalsContact CG2-CD 3.49Å; I356-R462 HydrophobicContact CG2-CG 4.2Å; I356-I463 HydrophobicContact CD1-CG1 3.71Å; I356-I463 HydrophobicContact CG1-CG1 3.87Å; I356-A466 HydrophobicContact CD1-CB 4.38Å |
| 357 | K | 89.4 | Confident | 92.8 | Very high | 142 Ų | 142 | 45.9 Ų | 45.9 | 62% | 0.617 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -74.9 | -30.9 | 177.2 | -173.2 | -176.3 | 170.2 | -163.2 | 0 | 111.8 | Y353 E354 S355 | Y353-K357 PolarHBondContact O-N 2.85Å; E354-K357 WeakPolarHBondContact O-CB 3.44Å; E354-K357 PolarHBondContact O-N 3.33Å; E354-K357 VanDerWaalsContact O-N 3.08Å; S355-K357 PolarHBondContact O-N 3.22Å |
| 358 | A | 92.6 | Very high | 93.3 | Very high | 49 Ų | 49 | 42.6 Ų | 42.6 | 41% | 0.405 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -74.4 | -24.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V343 E354 S355 T360 | V343-A358 HydrophobicContact CG1-CB 4.07Å; V343-A358 HydrophobicContact CG2-CB 4.41Å; E354-A358 PolarHBondContact O-N 2.92Å; S355-A358 WeakPolarHBondContact O-CB 3.11Å; S355-A358 PolarHBondContact O-N 3.44Å; A358-T360 PolarHBondContact O-N 3.17Å; A358-T360 PolarHBondContact O-OG1 2.73Å |
| 359 | M | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -69.9 | 87 | 178.8 | -62.5 | 170.6 | -174.6 | 0 | 0 | 111.8 | I340 V343 L351 S355 I356 L362 N363 A466 | I340-M359 HydrophobicContact CG1-SD 4.14Å; I340-M359 HydrophobicContact CG2-CE 4.06Å; V343-M359 HydrophobicContact CB-CE 4.33Å; V343-M359 HydrophobicContact CB-CG 4.29Å; V343-M359 HydrophobicContact CG1-CE 3.97Å; V343-M359 HydrophobicContact CG1-CG 4.08Å; V343-M359 HydrophobicContact CG2-CG 4.3Å; L351-M359 HydrophobicContact CD2-CE 3.85Å; S355-M359 WeakPolarHBondContact O-CG 3.11Å; S355-M359 PolarHBondContact O-N 3.49Å; I356-M359 HydrophobicContact CD1-CE 4.43Å; I356-M359 HydrophobicContact CD1-SD 4.09Å; M359-L362 HydrophobicContact CB-CB 3.74Å; M359-L362 HydrophobicContact CB-CD2 4.03Å; M359-L362 HydrophobicContact CG-CD2 4.48Å; M359-L362 HydrophobicContact SD-CD2 3.65Å; M359-N363 PolarHBondContact O-N 3.39Å; M359-N363 PolarHBondContact O-ND2 2.84Å; M359-A466 HydrophobicContact CE-CB 4.43Å; M359-A466 HydrophobicContact SD-CB 4.08Å | ||
| 360 | T | 97.1 | Very high | 94.5 | Very high | 64 Ų | 64 | 32.3 Ų | 32.3 | 39% | 0.393 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -76.9 | -45 | -173.2 | -62.8 | 0 | 0 | 0 | 0 | 111.3 | E339 A358 N363 Q364 P430 | E339-T360 PolarHBondContact OE1-N 2.82Å; E339-T360 PolarHBondContact OE2-N 3.5Å; A358-T360 PolarHBondContact O-N 3.17Å; A358-T360 PolarHBondContact O-OG1 2.73Å; T360-N363 VanDerWaalsContact O-CB 3.3Å; T360-N363 WeakPolarHBondContact O-CB 3.35Å; T360-N363 PolarHBondContact O-N 3.03Å; T360-N363 VanDerWaalsContact O-N 3.12Å; T360-Q364 WeakPolarHBondContact O-CG 3.47Å; T360-Q364 PolarHBondContact O-N 3.09Å; T360-Q364 VanDerWaalsContact O-N 3.1Å; T360-P430 HydrophobicContact CG2-CG 4.44Å |
| 361 | Y | 98.6 | Very high | 95.2 | Very high | 13 Ų | 13 | 26.6 Ų | 26.6 | 5% | 0.051 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.7 | -36.2 | 178.3 | -162.5 | -113 | 0 | 0 | 0 | 111.6 | I332 R335 L336 E339 N363 Q364 V365 P425 | I332-Y361 HydrophobicContact CG2-CE1 4.15Å; R335-Y361 HydrophobicContact CB-CE1 4.04Å; R335-Y361 HydrophobicContact CG-CD1 4.05Å; R335-Y361 HydrophobicContact CG-CE1 3.72Å; R335-Y361 VanDerWaalsContact NH1-CE2 3.29Å; R335-Y361 PolarHBondContact NH1-OH 3.05Å; L336-Y361 HydrophobicContact CB-CD1 4.05Å; L336-Y361 HydrophobicContact CB-CE1 4.26Å; L336-Y361 HydrophobicContact CD1-CD1 4.23Å; E339-Y361 VanDerWaalsContact CD-CB 3.46Å; E339-Y361 VanDerWaalsContact CD-N 3.27Å; E339-Y361 WeakPolarHBondContact OE1-CB 3.32Å; E339-Y361 PolarHBondContact OE1-N 2.97Å; E339-Y361 WeakPolarHBondContact OE2-CA 3.48Å; E339-Y361 WeakPolarHBondContact OE2-CB 3.41Å; E339-Y361 PolarHBondContact OE2-N 3.39Å; Y361-N363 PolarHBondContact O-N 2.94Å; Y361-Q364 HydrophobicContact CD2-CB 4.44Å; Y361-Q364 VanDerWaalsContact CD2-OE1 3.27Å; Y361-Q364 WeakPolarHBondContact O-CA 3.32Å; Y361-Q364 WeakPolarHBondContact O-CB 3.09Å; Y361-Q364 PolarHBondContact O-N 3.48Å; Y361-V365 HydrophobicContact CD1-CG2 4.06Å; Y361-V365 HydrophobicContact CE1-CG2 3.93Å; Y361-V365 WeakPolarHBondContact O-CG2 3.25Å; Y361-V365 PolarHBondContact O-N 2.91Å; Y361-P425 HydrophobicContact CE2-CB 3.85Å |
| 362 | L | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -54.8 | -41.9 | 168.9 | 179.9 | 59.6 | 0 | 0 | 0 | 112.1 | L336 E339 M359 Q364 V365 I366 R462 L465 A466 | L336-L362 VanDerWaalsContact CD1-CA 3.45Å; L336-L362 HydrophobicContact CD1-CB 3.7Å; L336-L362 HydrophobicContact CD1-CD1 3.96Å; L336-L362 HydrophobicContact CD1-CG 4.42Å; L336-L362 HydrophobicContact CD2-CD1 4.23Å; E339-L362 PolarHBondContact OE2-N 3.19Å; M359-L362 HydrophobicContact CB-CB 3.74Å; M359-L362 HydrophobicContact CB-CD2 4.03Å; M359-L362 HydrophobicContact CG-CD2 4.48Å; M359-L362 HydrophobicContact SD-CD2 3.65Å; L362-Q364 VanDerWaalsContact C-N 3.34Å; L362-V365 PolarHBondContact O-N 3.47Å; L362-I366 HydrophobicContact CD1-CD1 4.01Å; L362-I366 HydrophobicContact CD1-CG1 4.35Å; L362-I366 HydrophobicContact CG-CD1 4.01Å; L362-I366 VanDerWaalsContact O-CG1 3.29Å; L362-I366 WeakPolarHBondContact O-CG1 3.36Å; L362-I366 PolarHBondContact O-N 3.37Å; L362-R462 HydrophobicContact CD2-CB 3.93Å; L362-R462 HydrophobicContact CD2-CG 4.17Å; L362-R462 HydrophobicContact CG-CG 4.46Å; L362-L465 HydrophobicContact CD1-CB 4Å; L362-L465 HydrophobicContact CD1-CD1 4.38Å; L362-A466 HydrophobicContact CD2-CB 4.21Å |
| 363 | N | 98 | Very high | 95.9 | Very high | 35 Ų | 35 | 24.5 Ų | 24.5 | 19% | 0.187 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.3 | -38.1 | 175.8 | -73.5 | -49.3 | 0 | 0 | 0 | 112.7 | M359 T360 Y361 S367 R462 | M359-N363 PolarHBondContact O-N 3.39Å; M359-N363 PolarHBondContact O-ND2 2.84Å; T360-N363 VanDerWaalsContact O-CB 3.3Å; T360-N363 WeakPolarHBondContact O-CB 3.35Å; T360-N363 PolarHBondContact O-N 3.03Å; T360-N363 VanDerWaalsContact O-N 3.12Å; Y361-N363 PolarHBondContact O-N 2.94Å; N363-S367 VanDerWaalsContact O-CB 3.29Å; N363-S367 WeakPolarHBondContact O-CB 3.21Å; N363-S367 PolarHBondContact O-N 2.88Å; N363-S367 PolarHBondContact O-OG 3.29Å; N363-R462 PolarHBondContact OD1-NE 2.98Å; N363-R462 PolarHBondContact OD1-NH2 3.01Å |
| 364 | Q | 98.8 | Very high | 96.4 | Very high | 14 Ų | 14 | 21.7 Ų | 21.7 | 7% | 0.065 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.7 | -48.4 | 176.4 | -67.4 | 179 | 12.4 | 0 | 0 | 111.3 | T360 Y361 L362 I366 S367 E368 P425 F428 | T360-Q364 WeakPolarHBondContact O-CG 3.47Å; T360-Q364 PolarHBondContact O-N 3.09Å; T360-Q364 VanDerWaalsContact O-N 3.1Å; Y361-Q364 HydrophobicContact CD2-CB 4.44Å; Y361-Q364 VanDerWaalsContact CD2-OE1 3.27Å; Y361-Q364 WeakPolarHBondContact O-CA 3.32Å; Y361-Q364 WeakPolarHBondContact O-CB 3.09Å; Y361-Q364 PolarHBondContact O-N 3.48Å; L362-Q364 VanDerWaalsContact C-N 3.34Å; Q364-I366 PolarHBondContact O-N 3.26Å; Q364-S367 PolarHBondContact O-N 3.44Å; Q364-S367 VanDerWaalsContact O-N 3.13Å; Q364-E368 WeakPolarHBondContact O-CB 3.24Å; Q364-E368 PolarHBondContact O-N 3.46Å; Q364-P425 HydrophobicContact CB-CB 3.99Å; Q364-P425 WeakPolarHBondContact CB-O 3.46Å; Q364-F428 HydrophobicContact CB-CB 4.15Å; Q364-F428 HydrophobicContact CG-CB 4.09Å; Q364-F428 WeakPolarHBondContact CG-O 3.35Å |
| 365 | V | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 177.8 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | L326 I332 L336 Y361 L362 S367 T369 F423 P425 | L326-V365 HydrophobicContact CD1-CG1 4.46Å; L326-V365 HydrophobicContact CD2-CG1 4Å; L326-V365 HydrophobicContact CG-CG1 4.37Å; I332-V365 HydrophobicContact CG2-CG2 4.11Å; L336-V365 HydrophobicContact CD2-CG1 4.24Å; L336-V365 HydrophobicContact CD2-CG2 4.35Å; Y361-V365 HydrophobicContact CD1-CG2 4.06Å; Y361-V365 HydrophobicContact CE1-CG2 3.93Å; Y361-V365 WeakPolarHBondContact O-CG2 3.25Å; Y361-V365 PolarHBondContact O-N 2.91Å; L362-V365 PolarHBondContact O-N 3.47Å; V365-S367 VanDerWaalsContact C-N 3.33Å; V365-S367 PolarHBondContact O-N 2.94Å; V365-T369 WeakPolarHBondContact O-CB 3.37Å; V365-T369 PolarHBondContact O-N 3.24Å; V365-T369 PolarHBondContact O-OG1 3.18Å; V365-F423 HydrophobicContact CG1-CE1 4.37Å; V365-F423 HydrophobicContact CG1-CZ 3.93Å; V365-P425 HydrophobicContact CG2-CB 4.06Å; V365-P425 HydrophobicContact CG2-CG 3.84Å |
| 366 | I | 98.7 | Very high | 96.9 | Very high | 6 Ų | 6 | 21.3 Ų | 21.3 | 3% | 0.031 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 176 | -68.5 | 167.9 | 0 | 0 | 0 | 110.9 | L362 Q364 T369 L370 A461 R462 L465 | L362-I366 HydrophobicContact CD1-CD1 4.01Å; L362-I366 HydrophobicContact CD1-CG1 4.35Å; L362-I366 HydrophobicContact CG-CD1 4.01Å; L362-I366 VanDerWaalsContact O-CG1 3.29Å; L362-I366 WeakPolarHBondContact O-CG1 3.36Å; L362-I366 PolarHBondContact O-N 3.37Å; Q364-I366 PolarHBondContact O-N 3.26Å; I366-T369 WeakPolarHBondContact O-CB 3.16Å; I366-T369 PolarHBondContact O-N 2.85Å; I366-L370 HydrophobicContact CG2-CD1 4.09Å; I366-L370 WeakPolarHBondContact O-CG 3.48Å; I366-L370 PolarHBondContact O-N 2.94Å; I366-A461 HydrophobicContact CD1-CB 4.36Å; I366-R462 HydrophobicContact CD1-CB 4.36Å; I366-R462 HydrophobicContact CD1-CG 3.61Å; I366-L465 HydrophobicContact CD1-CD1 3.85Å; I366-L465 HydrophobicContact CG1-CD1 3.57Å |
| 367 | S | 98.7 | Very high | 97.1 | Very high | 19 Ų | 19 | 21.2 Ų | 21.2 | 13% | 0.133 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.6 | -38 | -177.4 | -57.7 | 0 | 0 | 0 | 0 | 112.3 | N363 Q364 V365 L370 R371 F428 W441 | N363-S367 VanDerWaalsContact O-CB 3.29Å; N363-S367 WeakPolarHBondContact O-CB 3.21Å; N363-S367 PolarHBondContact O-N 2.88Å; N363-S367 PolarHBondContact O-OG 3.29Å; Q364-S367 PolarHBondContact O-N 3.44Å; Q364-S367 VanDerWaalsContact O-N 3.13Å; V365-S367 VanDerWaalsContact C-N 3.33Å; V365-S367 PolarHBondContact O-N 2.94Å; S367-L370 PolarHBondContact O-N 3.5Å; S367-R371 PolarHBondContact O-N 3.03Å; S367-F428 VanDerWaalsContact CB-CG 3.45Å; S367-W441 PolarHBondContact O-NE1 3.41Å |
| 368 | E | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67.5 | -38.9 | 173 | -179.8 | 63.2 | 177 | 0 | 0 | 111.7 | Q364 L370 R371 L372 F423 D424 R427 F428 | Q364-E368 WeakPolarHBondContact O-CB 3.24Å; Q364-E368 PolarHBondContact O-N 3.46Å; E368-L370 VanDerWaalsContact C-N 3.32Å; E368-L370 PolarHBondContact O-N 2.94Å; E368-R371 WeakPolarHBondContact O-CB 3.23Å; E368-R371 PolarHBondContact O-N 2.9Å; E368-R371 IonicContact OE1-CZ 2.71Å; E368-R371 IonicContact OE1-NE 2.81Å; E368-R371 PolarHBondContact OE1-NE 2.95Å; E368-R371 IonicContact OE1-NH2 3.67Å; E368-R371 PolarHBondContact OE1-NH2 2.94Å; E368-R371 WeakPolarHBondContact OE2-CD 3.41Å; E368-R371 IonicContact OE2-CZ 3.2Å; E368-R371 IonicContact OE2-NE 3.51Å; E368-R371 PolarHBondContact OE2-NE 3.12Å; E368-R371 IonicContact OE2-NH2 3.61Å; E368-L372 HydrophobicContact CG-CD1 4.44Å; E368-L372 PolarHBondContact O-N 2.9Å; E368-F423 HydrophobicContact CB-CE2 4.17Å; E368-F423 HydrophobicContact CB-CZ 4.36Å; E368-F423 HydrophobicContact CG-CD2 3.76Å; E368-F423 HydrophobicContact CG-CE2 3.79Å; E368-F423 HydrophobicContact CG-CG 4.11Å; E368-F423 HydrophobicContact CG-CZ 4.22Å; E368-D424 VanDerWaalsContact CD-O 3.31Å; E368-D424 PolarHBondContact OE1-N 2.87Å; E368-R427 IonicContact OE1-NE 3.38Å; E368-F428 HydrophobicContact CB-CD2 4Å; E368-F428 HydrophobicContact CB-CE2 4.14Å; E368-F428 VanDerWaalsContact OE2-CE2 3.26Å; E368-F428 WeakPolarHBondContact OE2-CE2 3.25Å |
| 369 | T | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.006 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -57.1 | -47.4 | 171 | -56.5 | 0 | 0 | 0 | 0 | 110.9 | C322 V365 I366 R371 L372 Y373 | C322-T369 HydrophobicContact CB-CG2 3.9Å; V365-T369 WeakPolarHBondContact O-CB 3.37Å; V365-T369 PolarHBondContact O-N 3.24Å; V365-T369 PolarHBondContact O-OG1 3.18Å; I366-T369 WeakPolarHBondContact O-CB 3.16Å; I366-T369 PolarHBondContact O-N 2.85Å; T369-R371 VanDerWaalsContact C-N 3.28Å; T369-R371 PolarHBondContact O-N 3.41Å; T369-L372 PolarHBondContact O-N 3.38Å; T369-Y373 HydrophobicContact CG2-CD2 4.06Å; T369-Y373 WeakPolarHBondContact O-CB 3.49Å; T369-Y373 WeakPolarHBondContact O-CD2 3.49Å; T369-Y373 PolarHBondContact O-N 3.25Å |
| 370 | L | 98.5 | Very high | 97.7 | Very high | 9 Ų | 9 | 15.2 Ų | 15.2 | 5% | 0.047 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -68.8 | -25.2 | 179.9 | -74.4 | 171.1 | 0 | 0 | 0 | 113.5 | T318 I366 S367 E368 T374 W441 P443 F444 | T318-L370 HydrophobicContact CG2-CD2 3.71Å; T318-L370 HydrophobicContact CG2-CG 3.98Å; I366-L370 HydrophobicContact CG2-CD1 4.09Å; I366-L370 WeakPolarHBondContact O-CG 3.48Å; I366-L370 PolarHBondContact O-N 2.94Å; S367-L370 PolarHBondContact O-N 3.5Å; E368-L370 VanDerWaalsContact C-N 3.32Å; E368-L370 PolarHBondContact O-N 2.94Å; L370-T374 PolarHBondContact O-OG1 3.38Å; L370-W441 HydrophobicContact CB-CZ2 4.24Å; L370-W441 HydrophobicContact CD1-CZ2 4.3Å; L370-P443 HydrophobicContact CB-CB 3.77Å; L370-P443 HydrophobicContact CB-CG 4.03Å; L370-P443 HydrophobicContact CD1-CB 4.38Å; L370-P443 HydrophobicContact CD1-CG 4.4Å; 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 3.7Å |
| 371 | R | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -67.6 | -56.9 | 170.4 | -173.4 | -165.4 | 66.9 | 79.4 | -5 | 109.9 | S367 E368 T369 T374 H411 Y417 P420 T422 F428 | S367-R371 PolarHBondContact O-N 3.03Å; E368-R371 WeakPolarHBondContact O-CB 3.23Å; E368-R371 PolarHBondContact O-N 2.9Å; E368-R371 IonicContact OE1-CZ 2.71Å; E368-R371 IonicContact OE1-NE 2.81Å; E368-R371 PolarHBondContact OE1-NE 2.95Å; E368-R371 IonicContact OE1-NH2 3.67Å; E368-R371 PolarHBondContact OE1-NH2 2.94Å; E368-R371 WeakPolarHBondContact OE2-CD 3.41Å; E368-R371 IonicContact OE2-CZ 3.2Å; E368-R371 IonicContact OE2-NE 3.51Å; E368-R371 PolarHBondContact OE2-NE 3.12Å; E368-R371 IonicContact OE2-NH2 3.61Å; T369-R371 VanDerWaalsContact C-N 3.28Å; T369-R371 PolarHBondContact O-N 3.41Å; R371-T374 PolarHBondContact O-OG1 2.9Å; R371-H411 HydrophobicContact CG-CB 3.75Å; R371-H411 WeakPolarHBondContact CG-O 3.39Å; R371-H411 PolarHBondContact NH1-O 3.37Å; R371-H411 WeakPolarHBondContact O-CB 3.28Å; R371-H411 PolarHBondContact O-ND1 3.05Å; R371-Y417 VanDerWaalsContact CD-CD1 3.43Å; R371-Y417 VanDerWaalsContact CD-CE1 3.49Å; R371-Y417 HydrophobicContact CG-CE1 4.34Å; R371-P420 VanDerWaalsContact CZ-O 3.27Å; R371-P420 PolarHBondContact NH1-O 2.76Å; R371-P420 PolarHBondContact NH2-O 2.77Å; R371-T422 PolarHBondContact NH2-O 3.08Å; R371-T422 VanDerWaalsContact NH2-O 3.17Å; R371-F428 HydrophobicContact CB-CE2 4.17Å; R371-F428 HydrophobicContact CB-CZ 4.08Å |
| 372 | L | 97.9 | Very high | 97.6 | Very high | 3 Ų | 3 | 14.1 Ų | 14.1 | 2% | 0.016 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -65.8 | -41.6 | -177 | -81 | 167.9 | 0 | 0 | 0 | 112.7 | E368 T369 R412 P420 F423 | E368-L372 HydrophobicContact CG-CD1 4.44Å; E368-L372 PolarHBondContact O-N 2.9Å; T369-L372 PolarHBondContact O-N 3.38Å; L372-R412 PolarHBondContact O-NE 3.16Å; L372-R412 PolarHBondContact O-NH2 2.85Å; L372-P420 VanDerWaalsContact CD2-O 3.26Å; L372-P420 WeakPolarHBondContact CD2-O 3.31Å; L372-F423 HydrophobicContact CD1-CB 3.81Å; L372-F423 HydrophobicContact CD1-CD2 3.54Å; L372-F423 HydrophobicContact CD1-CG 4.14Å |
| 373 | Y | 97.4 | Very high | 97.6 | Very high | 12 Ų | 12 | 14.1 Ų | 14.1 | 5% | 0.047 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -110.4 | 69.4 | -176.5 | -58.6 | -87.1 | 0 | 0 | 0 | 110.9 | Y321 Y324 E325 T369 L375 L484 Y486 L493 | Y321-Y373 AromaticContact CD1-CD1 3.52Å; Y321-Y373 HydrophobicContact CD1-CD1 3.52Å; Y321-Y373 AromaticContact CD1-CE1 3.63Å; Y321-Y373 HydrophobicContact CD1-CE1 3.63Å; Y321-Y373 HydrophobicContact CD1-CG 4.07Å; Y321-Y373 AromaticContact CD2-CD1 3.88Å; Y321-Y373 HydrophobicContact CD2-CD1 3.88Å; Y321-Y373 AromaticContact CD2-CG 3.79Å; Y321-Y373 HydrophobicContact CD2-CG 3.79Å; Y321-Y373 AromaticContact CE1-CD1 3.9Å; Y321-Y373 HydrophobicContact CE1-CD1 3.9Å; Y321-Y373 HydrophobicContact CE1-CE1 4.13Å; Y321-Y373 HydrophobicContact CE2-CD1 4.22Å; Y321-Y373 HydrophobicContact CE2-CG 4.45Å; Y321-Y373 AromaticContact CG-CD1 3.53Å; Y321-Y373 HydrophobicContact CG-CD1 3.53Å; Y321-Y373 HydrophobicContact CG-CD2 4.13Å; Y321-Y373 HydrophobicContact CG-CE1 4Å; Y321-Y373 AromaticContact CG-CG 3.58Å; Y321-Y373 HydrophobicContact CG-CG 3.58Å; Y324-Y373 VanDerWaalsContact CD1-OH 3.24Å; Y324-Y373 WeakPolarHBondContact CD1-OH 3.41Å; Y324-Y373 VanDerWaalsContact CE1-OH 3.28Å; Y324-Y373 WeakPolarHBondContact CE1-OH 3.32Å; E325-Y373 HydrophobicContact CG-CE2 3.57Å; E325-Y373 VanDerWaalsContact OE1-CE2 3.28Å; E325-Y373 WeakPolarHBondContact OE1-CE2 3.18Å; E325-Y373 PolarHBondContact OE1-OH 3.37Å; T369-Y373 HydrophobicContact CG2-CD2 4.06Å; T369-Y373 WeakPolarHBondContact O-CB 3.49Å; T369-Y373 WeakPolarHBondContact O-CD2 3.49Å; T369-Y373 PolarHBondContact O-N 3.25Å; Y373-L375 PolarHBondContact O-N 3.1Å; Y373-L484 HydrophobicContact CE1-CD1 4.31Å; Y373-Y486 WeakPolarHBondContact CE1-OH 3.41Å; Y373-L493 HydrophobicContact CD1-CD2 4.18Å |
| 374 | T | 97 | Very high | 97.6 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.006 | 8% | 0.078 | C | C | . | . | trans | -72.1 | 96.6 | -178.3 | -52.4 | 0 | 0 | 0 | 0 | 110.6 | H53 L370 R371 V376 A407 C408 H411 | H53-T374 PolarHBondContact NE2-O 3.48Å; L370-T374 PolarHBondContact O-OG1 3.38Å; R371-T374 PolarHBondContact O-OG1 2.9Å; T374-V376 WeakPolarHBondContact CG2-O 3.29Å; T374-V376 PolarHBondContact O-N 3.24Å; T374-A407 HydrophobicContact CG2-CB 4.19Å; T374-C408 HydrophobicContact CG2-CB 4.43Å; T374-H411 PolarHBondContact OG1-ND1 3.18Å | ||
| 375 | L | 95.5 | Very high | 97.6 | Very high | 14 Ų | 14 | 18.5 Ų | 18.5 | 7% | 0.073 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -59.4 | -42.4 | -171.6 | -63 | 180 | 0 | 0 | 0 | 113.9 | T314 T318 Y321 Y373 P377 V492 L493 | T314-L375 WeakPolarHBondContact O-CD1 3.44Å; T318-L375 WeakPolarHBondContact OG1-CD1 3.31Å; Y321-L375 HydrophobicContact CD2-CD2 4.1Å; Y321-L375 HydrophobicContact CE2-CD2 3.63Å; Y373-L375 PolarHBondContact O-N 3.1Å; L375-P377 WeakPolarHBondContact O-CD 3.1Å; L375-V492 CarbonylContact O-C 3.51Å; L375-V492 WeakPolarHBondContact O-CA 3.15Å; L375-V492 WeakPolarHBondContact O-CB 3.3Å; L375-L493 HydrophobicContact CD2-CB 4.4Å; L375-L493 PolarHBondContact O-N 3.49Å |
| 376 | V | 95.3 | Very high | 97.6 | Very high | 59 Ų | 59 | 23.7 Ų | 23.7 | 36% | 0.358 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -102.9 | 98.7 | 171.8 | -179.1 | 0 | 0 | 0 | 0 | 107 | T374 H378 V492 | T374-V376 WeakPolarHBondContact CG2-O 3.29Å; T374-V376 PolarHBondContact O-N 3.24Å; V376-H378 WeakPolarHBondContact CG1-O 3.33Å; V376-H378 PolarHBondContact O-N 2.92Å; V376-V492 HydrophobicContact CG2-CG1 4.45Å |
| 377 | P | 95.3 | Very high | 97.6 | Very high | 4 Ų | 4 | 24.4 Ų | 24.4 | 3% | 0.026 | 13% | 0.128 | C | C | . | . | trans | -69.6 | -20 | -164.2 | 26.2 | -34.7 | 0 | 0 | 0 | 113.6 | M52 F56 L375 A407 C408 | M52-P377 HydrophobicContact CB-CB 4.42Å; M52-P377 HydrophobicContact CB-CG 3.6Å; M52-P377 HydrophobicContact CE-CG 4.1Å; F56-P377 HydrophobicContact CD2-CB 4.22Å; F56-P377 HydrophobicContact CD2-CG 4.48Å; F56-P377 HydrophobicContact CE2-CG 4.35Å; L375-P377 WeakPolarHBondContact O-CD 3.1Å; P377-A407 PolarHBondContact O-N 3Å; P377-A407 VanDerWaalsContact O-N 3.15Å; P377-C408 HydrophobicContact CB-CB 3.9Å; P377-C408 WeakPolarHBondContact O-CB 3.35Å; P377-C408 PolarHBondContact O-N 2.85Å; P377-C408 PolarHBondContact O-SG 3.06Å | ||
| 378 | H | 96.6 | Very high | 97.6 | Very high | 17 Ų | 17 | 27.4 Ų | 27.4 | 8% | 0.079 | 15% | 0.145 | C | C | . | . | trans | -142.2 | 153.1 | 178.7 | 68.4 | -60.7 | 0 | 0 | 0 | 112.1 | F56 V376 E380 I404 I405 | F56-H378 HydrophobicContact CD2-CB 3.88Å; F56-H378 HydrophobicContact CE2-CB 3.62Å; F56-H378 AromaticContact CE2-CE1 3.83Å; F56-H378 AromaticContact CE2-CG 3.35Å; F56-H378 AromaticContact CE2-ND1 3.18Å; F56-H378 WeakPolarHBondContact CE2-ND1 3.49Å; F56-H378 HydrophobicContact CZ-CB 4.13Å; F56-H378 AromaticContact CZ-CD2 3.92Å; F56-H378 AromaticContact CZ-CE1 3.96Å; F56-H378 AromaticContact CZ-CG 3.64Å; F56-H378 AromaticContact CZ-ND1 3.7Å; V376-H378 WeakPolarHBondContact CG1-O 3.33Å; V376-H378 PolarHBondContact O-N 2.92Å; H378-E380 VanDerWaalsContact CD2-CG 3.47Å; H378-E380 WeakPolarHBondContact CD2-CG 3.25Å; H378-E380 IonicContact CD2-OE1 3.69Å; H378-E380 IonicContact CE1-OE1 3.43Å; H378-E380 WeakPolarHBondContact NE2-CG 3.23Å; H378-E380 IonicContact NE2-OE1 3.61Å; H378-E380 PolarHBondContact NE2-OE1 3.12Å; H378-I404 HydrophobicContact CB-CG2 3.99Å; H378-I405 CarbonylContact C-O 3.34Å; H378-I405 VanDerWaalsContact CA-O 3.23Å; H378-I405 WeakPolarHBondContact CA-O 3.47Å; H378-I405 WeakPolarHBondContact CB-O 3.23Å | ||
| 379 | L | 97.8 | Very high | 97.5 | Very high | 20 Ų | 20 | 27.5 Ų | 27.5 | 11% | 0.105 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 139.6 | 168.6 | -49.7 | 176.5 | 0 | 0 | 0 | 109.1 | L93 I405 L442 | L93-L379 HydrophobicContact CD1-CD1 3.98Å; L93-L379 HydrophobicContact CD2-CD1 4.1Å; L379-I405 HydrophobicContact CB-CB 4.23Å; L379-I405 PolarHBondContact N-O 3.27Å; L379-I405 PolarHBondContact O-N 3.11Å; L379-L442 HydrophobicContact CD1-CB 4.31Å; L379-L442 HydrophobicContact CD1-CD1 4.08Å; L379-L442 HydrophobicContact CD1-CD2 4.18Å; L379-L442 HydrophobicContact CD1-CG 4.45Å |
| 380 | E | 96.1 | Very high | 97.3 | Very high | 28 Ų | 28 | 30.9 Ų | 30.9 | 13% | 0.131 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 142.7 | 177.4 | -65.6 | 172.7 | 158.2 | 0 | 0 | 110.5 | Q105 H378 V403 | Q105-E380 PolarHBondContact NE2-OE2 3Å; H378-E380 VanDerWaalsContact CD2-CG 3.47Å; H378-E380 WeakPolarHBondContact CD2-CG 3.25Å; H378-E380 IonicContact CD2-OE1 3.69Å; H378-E380 IonicContact CE1-OE1 3.43Å; H378-E380 WeakPolarHBondContact NE2-CG 3.23Å; H378-E380 IonicContact NE2-OE1 3.61Å; H378-E380 PolarHBondContact NE2-OE1 3.12Å; E380-V403 CarbonylContact C-O 3.49Å; E380-V403 VanDerWaalsContact CA-O 3.3Å; E380-V403 WeakPolarHBondContact CA-O 3.35Å |
| 381 | R | 97.9 | Very high | 97.2 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 1% | 0.011 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 172.6 | 165.9 | -64.7 | -58 | -170.8 | -89.8 | -3.4 | 110.1 | I92 L93 F100 D102 Q402 V403 | I92-R381 HydrophobicContact CG2-CB 4.23Å; I92-R381 HydrophobicContact CG2-CG 3.97Å; L93-R381 HydrophobicContact CD2-CG 4.48Å; L93-R381 VanDerWaalsContact CD2-NH2 3.28Å; F100-R381 HydrophobicContact CB-CB 4.09Å; F100-R381 HydrophobicContact CB-CG 4.28Å; F100-R381 HydrophobicContact CD1-CB 4.42Å; F100-R381 WeakPolarHBondContact O-CD 3.31Å; D102-R381 CarbonylContact O-C 3.58Å; D102-R381 VanDerWaalsContact O-CA 3.25Å; D102-R381 WeakPolarHBondContact O-CA 3.39Å; R381-Q402 PolarHBondContact O-NE2 2.89Å; R381-V403 HydrophobicContact CB-CB 4.08Å; R381-V403 PolarHBondContact N-O 3.46Å; R381-V403 PolarHBondContact O-N 3.29Å |
| 382 | K | 97.5 | Very high | 97 | Very high | 51 Ų | 51 | 37.8 Ų | 37.8 | 22% | 0.222 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 128.8 | 173.9 | -177.2 | 179.9 | 176.6 | -173.1 | 0 | 109.8 | D102 L384 | D102-K382 HydrophobicContact CB-CB 4.3Å; D102-K382 PolarHBondContact O-N 3.09Å; K382-L384 PolarHBondContact O-N 3.14Å |
| 383 | A | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | trans | -65.9 | 123.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110.2 | F100 I397 E398 G400 T401 | F100-A383 HydrophobicContact CD1-CB 4.32Å; F100-A383 HydrophobicContact CE1-CB 3.8Å; A383-I397 HydrophobicContact CB-CG2 3.93Å; A383-E398 WeakPolarHBondContact CB-O 3.49Å; A383-G400 WeakPolarHBondContact O-CA 3.39Å; A383-G400 PolarHBondContact O-N 2.95Å; A383-T401 PolarHBondContact N-O 2.87Å | ||
| 384 | L | 98.1 | Very high | 96.6 | Very high | 51 Ų | 51 | 54.9 Ų | 54.9 | 27% | 0.267 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -85.4 | -27.1 | 178.3 | -63.1 | -174.7 | 0 | 0 | 0 | 112.2 | N99 A101 D102 K382 K399 | N99-L384 WeakPolarHBondContact O-CB 3.43Å; N99-L384 WeakPolarHBondContact O-CG 3.32Å; N99-L384 PolarHBondContact O-N 3.46Å; A101-L384 HydrophobicContact CB-CD1 4.26Å; D102-L384 HydrophobicContact CB-CD2 4Å; D102-L384 WeakPolarHBondContact OD2-CD2 2.87Å; K382-L384 PolarHBondContact O-N 3.14Å; L384-K399 VanDerWaalsContact O-CD 3.26Å; L384-K399 WeakPolarHBondContact O-CD 3.31Å; L384-K399 WeakPolarHBondContact O-CE 3.13Å; L384-K399 VanDerWaalsContact O-CG 3.3Å; L384-K399 WeakPolarHBondContact O-CG 3.38Å |
| 385 | N | 98.4 | Very high | 96.6 | Very high | 90 Ų | 90 | 55.6 Ų | 55.6 | 48% | 0.481 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -139.1 | 164 | 173.5 | -51.3 | -73.4 | 0 | 0 | 0 | 109.4 | N99 Y387 | N99-N385 PolarHBondContact ND2-O 3.27Å; N99-N385 WeakPolarHBondContact OD1-CA 3.34Å; N99-N385 VanDerWaalsContact OD1-CB 3.26Å; N99-N385 WeakPolarHBondContact OD1-CB 3.35Å; N99-N385 PolarHBondContact OD1-N 3.1Å; N99-N385 PolarHBondContact OD1-ND2 3.44Å; N99-N385 PolarHBondContact OD1-O 3.3Å; N385-Y387 PolarHBondContact O-N 3.43Å |
| 386 | D | 98.4 | Very high | 96.7 | Very high | 109 Ų | 109 | 57.2 Ų | 57.2 | 58% | 0.583 | 31% | 0.312 | S | S | * | . | trans | -57.3 | 132.6 | 173.2 | -65.7 | -8.9 | 0 | 0 | 0 | 109.8 | V396 E398 K399 | D386-V396 HydrophobicContact CB-CG1 4.12Å; D386-E398 WeakPolarHBondContact OD1-CA 3.43Å; D386-K399 WeakPolarHBondContact OD1-CB 3.35Å; D386-K399 PolarHBondContact OD1-N 2.91Å | ||
| 387 | Y | 98.4 | Very high | 96.8 | Very high | 21 Ų | 21 | 54.4 Ų | 54.4 | 8% | 0.082 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 107.5 | -176.4 | -178.1 | -99.9 | 0 | 0 | 0 | 109.9 | L88 D96 F100 N385 V389 P390 V396 I397 | L88-Y387 HydrophobicContact CD1-CE1 3.86Å; D96-Y387 HydrophobicContact CB-CE2 3.88Å; D96-Y387 VanDerWaalsContact OD2-CE2 3.3Å; D96-Y387 WeakPolarHBondContact OD2-CE2 3.46Å; D96-Y387 PolarHBondContact OD2-OH 3.31Å; 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 4.32Å; F100-Y387 AromaticContact CE2-CE2 3.92Å; F100-Y387 HydrophobicContact CE2-CE2 3.92Å; F100-Y387 AromaticContact CE2-CG 3.85Å; F100-Y387 HydrophobicContact CE2-CG 3.85Å; 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 3.56Å; F100-Y387 HydrophobicContact CZ-CG 3.56Å; N385-Y387 PolarHBondContact O-N 3.43Å; Y387-V389 HydrophobicContact CD1-CG2 4.32Å; Y387-V389 HydrophobicContact CE1-CG2 4.35Å; Y387-V389 PolarHBondContact O-N 3.38Å; Y387-P390 WeakPolarHBondContact OH-CD 3.37Å; Y387-V396 CarbonylContact O-C 3.14Å; Y387-V396 WeakPolarHBondContact O-CA 3.49Å; Y387-I397 HydrophobicContact CD1-CD1 4.25Å; Y387-I397 PolarHBondContact N-O 2.77Å; Y387-I397 PolarHBondContact O-N 3.41Å |
| 388 | V | 98.1 | Very high | 96.9 | Very high | 81 Ų | 81 | 57 Ų | 57 | 49% | 0.491 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 123 | 170.7 | -176 | 0 | 0 | 0 | 0 | 107.7 | P390 V396 | V388-P390 WeakPolarHBondContact O-CD 3.16Å; V388-V396 HydrophobicContact CG2-CG2 4.2Å |
| 389 | V | 97.6 | Very high | 97 | Very high | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.018 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 124.7 | -178.1 | 176.2 | 0 | 0 | 0 | 0 | 109.7 | P69 F70 L88 Y387 G391 H392 L395 I397 | P69-V389 HydrophobicContact CB-CG1 4.18Å; P69-V389 HydrophobicContact CG-CG1 3.74Å; F70-V389 HydrophobicContact CD1-CG2 3.92Å; F70-V389 HydrophobicContact CE1-CG2 3.64Å; L88-V389 HydrophobicContact CD1-CG1 4.11Å; L88-V389 HydrophobicContact CD1-CG2 4.44Å; L88-V389 HydrophobicContact CD2-CG1 4.19Å; L88-V389 HydrophobicContact CD2-CG2 4.25Å; Y387-V389 HydrophobicContact CD1-CG2 4.32Å; Y387-V389 HydrophobicContact CE1-CG2 4.35Å; Y387-V389 PolarHBondContact O-N 3.38Å; V389-G391 PolarHBondContact O-N 3.02Å; V389-H392 HydrophobicContact CB-CB 4.17Å; V389-H392 HydrophobicContact CG1-CB 4.18Å; V389-H392 CarbonylContact O-C 3.37Å; V389-H392 WeakPolarHBondContact O-CA 3.48Å; V389-H392 PolarHBondContact O-N 3.47Å; V389-L395 HydrophobicContact CB-CB 4.33Å; V389-L395 HydrophobicContact CG2-CB 4.31Å; V389-L395 PolarHBondContact N-O 3.19Å; V389-I397 HydrophobicContact CG2-CD1 4.47Å; V389-I397 HydrophobicContact CG2-CG1 4.36Å |
| 390 | P | 95.6 | Very high | 96.9 | Very high | 71 Ų | 71 | 63.7 Ų | 63.7 | 46% | 0.461 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 130 | 178 | -28.1 | 36.3 | 0 | 0 | 0 | 111.7 | Y387 V388 H392 | Y387-P390 WeakPolarHBondContact OH-CD 3.37Å; V388-P390 WeakPolarHBondContact O-CD 3.16Å; P390-H392 VanDerWaalsContact C-N 3.25Å; P390-H392 PolarHBondContact O-N 2.97Å |
| 391 | G | 94.8 | Very high | 96.9 | Very high | 82 Ų | 82 | 62.9 Ų | 62.9 | 85% | 0.845 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | -4.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | V389 | V389-G391 PolarHBondContact O-N 3.02Š|
| 392 | H | 95.1 | Very high | 96.8 | Very high | 73 Ų | 73 | 64 Ų | 64 | 34% | 0.338 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 71.6 | -178.2 | -60.8 | -94 | 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 3.37Å; V389-H392 WeakPolarHBondContact O-CA 3.48Å; V389-H392 PolarHBondContact O-N 3.47Å; P390-H392 VanDerWaalsContact C-N 3.25Å; P390-H392 PolarHBondContact O-N 2.97Å; H392-K394 PolarHBondContact O-N 3.45Å; H392-L395 HydrophobicContact CB-CB 4.03Å; H392-L395 HydrophobicContact CB-CD1 3.82Å; H392-L395 HydrophobicContact CB-CG 4.03Å; H392-L395 PolarHBondContact O-N 3.45Å |
| 393 | E | 93 | Very high | 96.9 | Very high | 175 Ų | 175 | 61.6 Ų | 61.6 | 82% | 0.818 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.6 | -27.1 | -172.5 | -63 | 176.8 | 177 | 0 | 0 | 115.2 | ||
| 394 | K | 93.3 | Very high | 96.9 | Very high | 199 Ų | 199 | 61.6 Ų | 61.6 | 87% | 0.865 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -11 | 178.7 | -63.9 | -178 | -179.5 | 176.7 | 0 | 113.5 | H392 | H392-K394 PolarHBondContact O-N 3.45Å |
| 395 | L | 96.6 | Very high | 96.9 | Very high | 15 Ų | 15 | 59.1 Ų | 59.1 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 113 | -178.3 | -61 | -176.3 | 0 | 0 | 0 | 109.6 | V31 F68 P69 F70 V389 H392 | V31-L395 HydrophobicContact CG2-CD2 4.3Å; F68-L395 HydrophobicContact CD1-CD1 3.91Å; F68-L395 HydrophobicContact CD1-CD2 4.26Å; F68-L395 HydrophobicContact CE1-CD2 4.29Å; P69-L395 HydrophobicContact CG-CD1 3.76Å; F70-L395 HydrophobicContact CE1-CB 3.89Å; F70-L395 HydrophobicContact CZ-CB 4.36Å; V389-L395 HydrophobicContact CB-CB 4.33Å; V389-L395 HydrophobicContact CG2-CB 4.31Å; V389-L395 PolarHBondContact N-O 3.19Å; H392-L395 HydrophobicContact CB-CB 4.03Å; H392-L395 HydrophobicContact CB-CD1 3.82Å; H392-L395 HydrophobicContact CB-CG 4.03Å; H392-L395 PolarHBondContact O-N 3.45Å |
| 396 | V | 97.9 | Very high | 96.9 | Very high | 48 Ų | 48 | 54.9 Ų | 54.9 | 29% | 0.291 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 125 | -178.6 | -175.5 | 0 | 0 | 0 | 0 | 109.7 | D386 Y387 V388 E398 | D386-V396 HydrophobicContact CB-CG1 4.12Å; Y387-V396 CarbonylContact O-C 3.14Å; Y387-V396 WeakPolarHBondContact O-CA 3.49Å; V388-V396 HydrophobicContact CG2-CG2 4.2Å; V396-E398 HydrophobicContact CG1-CG 4.49Å; V396-E398 PolarHBondContact O-N 2.77Å |
| 397 | I | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 101.1 | 165.4 | -54.7 | 175.9 | 0 | 0 | 0 | 106.7 | F70 A81 I83 I92 A383 Y387 V389 T401 V403 | F70-I397 HydrophobicContact CD1-CD1 4.35Å; F70-I397 HydrophobicContact CD1-CG1 4.2Å; F70-I397 HydrophobicContact CE1-CD1 4.44Å; F70-I397 HydrophobicContact CE1-CG1 3.82Å; F70-I397 HydrophobicContact CZ-CG1 4.06Å; A81-I397 HydrophobicContact CB-CD1 4.27Å; A81-I397 HydrophobicContact CB-CG1 4.26Å; A81-I397 HydrophobicContact CB-CG2 4.28Å; I83-I397 HydrophobicContact CD1-CD1 4.3Å; I92-I397 HydrophobicContact CD1-CD1 4.19Å; A383-I397 HydrophobicContact CB-CG2 3.93Å; Y387-I397 HydrophobicContact CD1-CD1 4.25Å; Y387-I397 PolarHBondContact N-O 2.77Å; Y387-I397 PolarHBondContact O-N 3.41Å; V389-I397 HydrophobicContact CG2-CD1 4.47Å; V389-I397 HydrophobicContact CG2-CG1 4.36Å; I397-T401 HydrophobicContact CG2-CG2 4.17Å; I397-V403 HydrophobicContact CD1-CG2 4.49Å; I397-V403 HydrophobicContact CG2-CG2 4.03Å |
| 398 | E | 97.7 | Very high | 96.8 | Very high | 59 Ų | 59 | 48.7 Ų | 48.7 | 28% | 0.276 | 27% | 0.271 | S | S | . | . | trans | -67.1 | 152.3 | -176.2 | -65.2 | 175.7 | 168.2 | 0 | 0 | 112.3 | Y25 R29 A383 D386 V396 G400 T401 | Y25-E398 WeakPolarHBondContact CE2-OE2 3.21Å; Y25-E398 VanDerWaalsContact CZ-OE2 3.31Å; Y25-E398 VanDerWaalsContact OH-CD 3.32Å; Y25-E398 PolarHBondContact OH-OE2 3.47Å; R29-E398 IonicContact CZ-OE1 3.94Å; R29-E398 IonicContact CZ-OE2 2.64Å; R29-E398 VanDerWaalsContact CZ-OE2 3.25Å; R29-E398 IonicContact NE-OE1 2.73Å; R29-E398 PolarHBondContact NE-OE1 3.44Å; R29-E398 IonicContact NE-OE2 2.76Å; R29-E398 PolarHBondContact NE-OE2 3.41Å; R29-E398 IonicContact NH2-OE1 3.22Å; R29-E398 PolarHBondContact NH2-OE1 2.83Å; R29-E398 IonicContact NH2-OE2 2.67Å; R29-E398 PolarHBondContact NH2-OE2 3.31Å; A383-E398 WeakPolarHBondContact CB-O 3.49Å; D386-E398 WeakPolarHBondContact OD1-CA 3.43Å; V396-E398 HydrophobicContact CG1-CG 4.49Å; V396-E398 PolarHBondContact O-N 2.77Å; E398-G400 PolarHBondContact O-N 3.42Å; E398-T401 WeakPolarHBondContact O-CB 3.38Å; E398-T401 PolarHBondContact O-N 3.02Å; E398-T401 PolarHBondContact O-OG1 2.91Å | ||
| 399 | K | 97.8 | Very high | 96.8 | Very high | 139 Ų | 139 | 44.8 Ų | 44.8 | 60% | 0.604 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.3 | 131.1 | 172.5 | 175.7 | 167.7 | -175.5 | 164.1 | 0 | 111.8 | L384 D386 T401 | L384-K399 VanDerWaalsContact O-CD 3.26Å; L384-K399 WeakPolarHBondContact O-CD 3.31Å; L384-K399 WeakPolarHBondContact O-CE 3.13Å; L384-K399 VanDerWaalsContact O-CG 3.3Å; L384-K399 WeakPolarHBondContact O-CG 3.38Å; D386-K399 WeakPolarHBondContact OD1-CB 3.35Å; D386-K399 PolarHBondContact OD1-N 2.91Å; K399-T401 VanDerWaalsContact C-N 3.25Å; K399-T401 PolarHBondContact O-N 3.37Å |
| 400 | G | 95.1 | Very high | 96.9 | Very high | 39 Ų | 39 | 44.7 Ų | 44.7 | 40% | 0.402 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | -7.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A383 E398 | A383-G400 WeakPolarHBondContact O-CA 3.39Å; A383-G400 PolarHBondContact O-N 2.95Å; E398-G400 PolarHBondContact O-N 3.42Å |
| 401 | T | 96.8 | Very high | 97 | Very high | 10 Ų | 10 | 41.3 Ų | 41.3 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | trans | -66.6 | 132 | 175.2 | -55 | 0 | 0 | 0 | 0 | 110.2 | Y25 W26 A81 A383 I397 E398 K399 | Y25-T401 PolarHBondContact OH-OG1 2.69Å; W26-T401 HydrophobicContact CH2-CG2 4.03Å; W26-T401 HydrophobicContact CZ2-CG2 4.15Å; A81-T401 HydrophobicContact CB-CG2 4.31Å; A383-T401 PolarHBondContact N-O 2.87Å; I397-T401 HydrophobicContact CG2-CG2 4.17Å; E398-T401 WeakPolarHBondContact O-CB 3.38Å; E398-T401 PolarHBondContact O-N 3.02Å; E398-T401 PolarHBondContact O-OG1 2.91Å; K399-T401 VanDerWaalsContact C-N 3.25Å; K399-T401 PolarHBondContact O-N 3.37Å | ||
| 402 | Q | 96.6 | Very high | 97.2 | Very high | 27 Ų | 27 | 38.9 Ų | 38.9 | 13% | 0.126 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 141.4 | 172.9 | -160.2 | 73.1 | 26.7 | 0 | 0 | 108.8 | A80 A81 R103 R381 | A80-Q402 CarbonylContact C-O 3.55Å; A80-Q402 WeakPolarHBondContact CA-O 3.27Å; A80-Q402 HydrophobicContact CB-CB 3.92Å; A81-Q402 PolarHBondContact N-O 3.45Å; R103-Q402 PolarHBondContact O-NE2 3.4Å; R381-Q402 PolarHBondContact O-NE2 2.89Å |
| 403 | V | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 132.6 | 177 | 173.8 | 0 | 0 | 0 | 0 | 108.2 | A81 I83 I92 F100 E380 R381 I397 I405 | A81-V403 HydrophobicContact CB-CG2 4.4Å; A81-V403 CarbonylContact O-C 3.56Å; A81-V403 WeakPolarHBondContact O-CA 3.23Å; I83-V403 HydrophobicContact CD1-CG1 3.78Å; I83-V403 HydrophobicContact CG1-CG1 3.53Å; I92-V403 HydrophobicContact CD1-CG1 3.96Å; I92-V403 HydrophobicContact CG2-CG1 4.28Å; F100-V403 HydrophobicContact CD1-CG2 4.22Å; F100-V403 HydrophobicContact CE1-CG2 3.97Å; E380-V403 CarbonylContact C-O 3.49Å; E380-V403 VanDerWaalsContact CA-O 3.3Å; E380-V403 WeakPolarHBondContact CA-O 3.35Å; R381-V403 HydrophobicContact CB-CB 4.08Å; R381-V403 PolarHBondContact N-O 3.46Å; R381-V403 PolarHBondContact O-N 3.29Å; I397-V403 HydrophobicContact CD1-CG2 4.49Å; I397-V403 HydrophobicContact CG2-CG2 4.03Å; V403-I405 HydrophobicContact CG1-CG1 4.34Å |
| 404 | I | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 121.8 | 178.2 | -63.4 | 172.1 | 0 | 0 | 0 | 108.1 | F56 F73 F75 A80 A81 F82 I83 H378 | F56-I404 HydrophobicContact CD1-CG2 4.46Å; F56-I404 HydrophobicContact CE1-CG2 4.11Å; F56-I404 HydrophobicContact CZ-CG2 4.45Å; F73-I404 HydrophobicContact CD1-CD1 3.59Å; F73-I404 HydrophobicContact CE1-CD1 3.81Å; F75-I404 HydrophobicContact CB-CD1 4.38Å; F75-I404 HydrophobicContact CD2-CD1 4.17Å; A80-I404 HydrophobicContact CB-CD1 3.69Å; A80-I404 HydrophobicContact CB-CG1 4.08Å; A81-I404 PolarHBondContact O-N 3.49Å; F82-I404 HydrophobicContact CD2-CB 4.1Å; F82-I404 HydrophobicContact CD2-CG2 3.73Å; F82-I404 HydrophobicContact CE2-CG2 3.94Å; I83-I404 PolarHBondContact N-O 3.12Å; H378-I404 HydrophobicContact CB-CG2 3.99Å |
| 405 | I | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 111.1 | 173.2 | -61 | 159.6 | 0 | 0 | 0 | 107.1 | I83 A89 I92 L93 H378 L379 V403 A407 Y410 L442 | I83-I405 HydrophobicContact CB-CG1 4.12Å; I83-I405 HydrophobicContact CG1-CG1 3.87Å; A89-I405 HydrophobicContact CB-CD1 4.43Å; A89-I405 HydrophobicContact CB-CG1 4.41Å; A89-I405 HydrophobicContact CB-CG2 3.99Å; I92-I405 HydrophobicContact CG2-CD1 4.13Å; L93-I405 HydrophobicContact CD1-CD1 3.96Å; L93-I405 HydrophobicContact CD2-CD1 3.54Å; L93-I405 HydrophobicContact CG-CD1 3.61Å; H378-I405 CarbonylContact C-O 3.34Å; H378-I405 VanDerWaalsContact CA-O 3.23Å; H378-I405 WeakPolarHBondContact CA-O 3.47Å; H378-I405 WeakPolarHBondContact CB-O 3.23Å; L379-I405 HydrophobicContact CB-CB 4.23Å; L379-I405 PolarHBondContact N-O 3.27Å; L379-I405 PolarHBondContact O-N 3.11Å; V403-I405 HydrophobicContact CG1-CG1 4.34Å; I405-A407 VanDerWaalsContact C-N 3.33Å; I405-A407 PolarHBondContact O-N 3.02Å; I405-Y410 HydrophobicContact CG2-CD2 4.42Å; I405-Y410 HydrophobicContact CG2-CE2 3.65Å; I405-L442 HydrophobicContact CG2-CD1 3.89Å |
| 406 | P | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -81.6 | 74.9 | -171.4 | 35.9 | -38.6 | 0 | 0 | 0 | 111.5 | F56 Y60 F82 I83 C408 A409 Y410 | F56-P406 HydrophobicContact CB-CB 4.01Å; Y60-P406 HydrophobicContact CD2-CG 3.98Å; F82-P406 HydrophobicContact CE1-CB 4.2Å; F82-P406 HydrophobicContact CE1-CG 3.73Å; F82-P406 HydrophobicContact CE2-CB 3.81Å; F82-P406 HydrophobicContact CE2-CG 4.12Å; F82-P406 HydrophobicContact CZ-CB 3.41Å; F82-P406 VanDerWaalsContact CZ-CB 3.41Å; F82-P406 HydrophobicContact CZ-CG 3.47Å; F82-P406 VanDerWaalsContact CZ-CG 3.47Å; I83-P406 WeakPolarHBondContact O-CD 3.33Å; I83-P406 WeakPolarHBondContact O-CG 3.12Å; P406-C408 PolarHBondContact O-N 3.22Å; P406-A409 HydrophobicContact CB-CB 3.88Å; P406-A409 HydrophobicContact CG-CB 4.23Å; P406-A409 WeakPolarHBondContact O-CA 3.43Å; P406-A409 WeakPolarHBondContact O-CB 3.37Å; P406-A409 PolarHBondContact O-N 3.18Å; P406-Y410 HydrophobicContact CG-CD1 4.12Å; P406-Y410 HydrophobicContact CG-CE1 3.67Å; P406-Y410 PolarHBondContact O-N 2.87Å | ||
| 407 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -49.6 | -44.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T374 P377 I405 A409 Y410 H411 L442 | T374-A407 HydrophobicContact CG2-CB 4.19Å; P377-A407 PolarHBondContact O-N 3Å; P377-A407 VanDerWaalsContact O-N 3.15Å; I405-A407 VanDerWaalsContact C-N 3.33Å; I405-A407 PolarHBondContact O-N 3.02Å; A407-A409 PolarHBondContact O-N 3.38Å; A407-Y410 PolarHBondContact O-N 2.64Å; A407-H411 WeakPolarHBondContact O-CB 3.45Å; A407-H411 PolarHBondContact O-CD2 3.49Å; A407-H411 VanDerWaalsContact O-CD2 3.24Å; A407-H411 PolarHBondContact O-N 2.97Å; A407-L442 HydrophobicContact CB-CB 3.85Å; A407-L442 HydrophobicContact CB-CD1 4.45Å |
| 408 | C | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.5 | -34.8 | 176.2 | 57.2 | 0 | 0 | 0 | 0 | 114.4 | H53 T374 P377 P406 | H53-C408 WeakPolarHBondContact CE1-CB 3.34Å; H53-C408 WeakPolarHBondContact ND1-CB 2.88Å; H53-C408 VanDerWaalsContact NE2-CB 3.26Å; H53-C408 WeakPolarHBondContact NE2-CB 3.04Å; T374-C408 HydrophobicContact CG2-CB 4.43Å; P377-C408 HydrophobicContact CB-CB 3.9Å; P377-C408 WeakPolarHBondContact O-CB 3.35Å; P377-C408 PolarHBondContact O-N 2.85Å; P377-C408 PolarHBondContact O-SG 3.06Å; P406-C408 PolarHBondContact O-N 3.22Å |
| 409 | A | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -80.1 | -40.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y57 Y60 P406 A407 H411 R412 D413 | Y57-A409 HydrophobicContact CD2-CB 4.47Å; Y60-A409 VanDerWaalsContact CB-CB 3.47Å; Y60-A409 HydrophobicContact CD1-CB 3.59Å; Y60-A409 HydrophobicContact CD2-CB 4.31Å; Y60-A409 HydrophobicContact CE1-CB 4.4Å; Y60-A409 HydrophobicContact CG-CB 3.52Å; P406-A409 HydrophobicContact CB-CB 3.88Å; P406-A409 HydrophobicContact CG-CB 4.23Å; P406-A409 WeakPolarHBondContact O-CA 3.43Å; P406-A409 WeakPolarHBondContact O-CB 3.37Å; P406-A409 PolarHBondContact O-N 3.18Å; A407-A409 PolarHBondContact O-N 3.38Å; A409-H411 VanDerWaalsContact C-N 3.26Å; A409-H411 PolarHBondContact O-N 3.42Å; A409-R412 CarbonylContact O-C 3.6Å; A409-R412 PolarHBondContact O-N 3.01Å; A409-D413 PolarHBondContact O-N 3.43Å |
| 410 | Y | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.9 | -42 | 173 | -65.5 | -0.3 | 0 | 0 | 0 | 111 | Y60 I83 T86 A89 I405 P406 A407 R412 D413 Y417 L442 | Y60-Y410 HydrophobicContact CD2-CD1 4.33Å; Y60-Y410 HydrophobicContact CD2-CE1 4.08Å; Y60-Y410 AromaticContact CE2-CD1 3.74Å; Y60-Y410 HydrophobicContact CE2-CD1 3.74Å; Y60-Y410 AromaticContact CE2-CE1 3.49Å; Y60-Y410 HydrophobicContact CE2-CE1 3.49Å; Y60-Y410 VanDerWaalsContact CE2-CE1 3.49Å; Y60-Y410 AromaticContact CZ-CD1 3.85Å; I83-Y410 PolarHBondContact O-OH 3.15Å; T86-Y410 HydrophobicContact CG2-CD2 4.04Å; T86-Y410 HydrophobicContact CG2-CE2 3.95Å; T86-Y410 HydrophobicContact CG2-CG 4.35Å; A89-Y410 HydrophobicContact CB-CE2 3.98Å; I405-Y410 HydrophobicContact CG2-CD2 4.42Å; I405-Y410 HydrophobicContact CG2-CE2 3.65Å; P406-Y410 HydrophobicContact CG-CD1 4.12Å; P406-Y410 HydrophobicContact CG-CE1 3.67Å; P406-Y410 PolarHBondContact O-N 2.87Å; A407-Y410 PolarHBondContact O-N 2.64Å; Y410-R412 PolarHBondContact O-N 3.47Å; Y410-R412 VanDerWaalsContact O-N 3.13Å; Y410-D413 PolarHBondContact O-N 2.88Å; Y410-Y417 WeakPolarHBondContact O-CD2 3.43Å; Y410-Y417 WeakPolarHBondContact O-CE2 3.44Å; Y410-L442 HydrophobicContact CD2-CD1 3.98Å; Y410-L442 HydrophobicContact CE2-CD1 4.28Å |
| 411 | H | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -14.9 | 177.8 | -69.4 | -178.1 | 0 | 0 | 0 | 114.1 | R371 T374 A407 A409 E440 L442 | R371-H411 HydrophobicContact CG-CB 3.75Å; R371-H411 WeakPolarHBondContact CG-O 3.39Å; R371-H411 PolarHBondContact NH1-O 3.37Å; R371-H411 WeakPolarHBondContact O-CB 3.28Å; R371-H411 PolarHBondContact O-ND1 3.05Å; T374-H411 PolarHBondContact OG1-ND1 3.18Å; A407-H411 WeakPolarHBondContact O-CB 3.45Å; A407-H411 PolarHBondContact O-CD2 3.49Å; A407-H411 VanDerWaalsContact O-CD2 3.24Å; A407-H411 PolarHBondContact O-N 2.97Å; A409-H411 VanDerWaalsContact C-N 3.26Å; A409-H411 PolarHBondContact O-N 3.42Å; H411-E440 PolarHBondContact CD2-O 3.41Å; H411-L442 PolarHBondContact NE2-N 3.14Å |
| 412 | R | 97.6 | Very high | 97.5 | Very high | 32 Ų | 32 | 34.1 Ų | 34.1 | 12% | 0.121 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | 14.8 | 179.7 | -66.2 | 175.2 | 174 | -102.9 | -2.9 | 112.4 | Y57 L372 A409 Y410 E414 P420 E421 | Y57-R412 HydrophobicContact CD2-CB 4Å; Y57-R412 HydrophobicContact CE2-CB 3.51Å; L372-R412 PolarHBondContact O-NE 3.16Å; L372-R412 PolarHBondContact O-NH2 2.85Å; A409-R412 CarbonylContact O-C 3.6Å; A409-R412 PolarHBondContact O-N 3.01Å; Y410-R412 PolarHBondContact O-N 3.47Å; Y410-R412 VanDerWaalsContact O-N 3.13Å; R412-E414 PolarHBondContact O-N 2.81Å; R412-P420 HydrophobicContact CB-CB 4.32Å; R412-P420 WeakPolarHBondContact O-CB 3.48Å; R412-P420 WeakPolarHBondContact O-CG 3.41Å; R412-E421 IonicContact CZ-OE1 3.41Å; R412-E421 IonicContact CZ-OE2 3.07Å; R412-E421 IonicContact NH1-OE1 3.47Å; R412-E421 PolarHBondContact NH1-OE1 2.76Å; R412-E421 IonicContact NH1-OE2 2.77Å; R412-E421 PolarHBondContact NH1-OE2 3.05Å |
| 413 | D | 97.6 | Very high | 97.6 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | trans | -74.3 | 122.1 | 172.4 | -171.8 | -8.2 | 0 | 0 | 0 | 108.8 | Y60 R64 A409 Y410 D415 L416 Y417 | Y60-D413 HydrophobicContact CE1-CB 4.04Å; Y60-D413 PolarHBondContact OH-OD2 3.32Å; R64-D413 IonicContact CZ-OD1 3.79Å; R64-D413 IonicContact NE-OD1 3.64Å; R64-D413 PolarHBondContact NE-OD1 3.34Å; R64-D413 IonicContact NE-OD2 2.66Å; R64-D413 IonicContact NH1-OD1 2.71Å; R64-D413 PolarHBondContact NH1-OD1 2.9Å; R64-D413 IonicContact NH2-OD1 3.84Å; R64-D413 PolarHBondContact NH2-OD1 2.79Å; A409-D413 PolarHBondContact O-N 3.43Å; Y410-D413 PolarHBondContact O-N 2.88Å; D413-D415 PolarHBondContact O-N 2.79Å; D413-D415 PolarHBondContact OD1-N 3.48Å; D413-L416 HydrophobicContact CB-CB 4.21Å; D413-L416 HydrophobicContact CB-CD1 4.06Å; D413-L416 HydrophobicContact CB-CG 4.01Å; D413-L416 PolarHBondContact O-N 2.8Å; D413-Y417 WeakPolarHBondContact O-CA 3.36Å; D413-Y417 PolarHBondContact O-N 3.47Å | ||
| 414 | E | 96.9 | Very high | 97.6 | Very high | 95 Ų | 95 | 35.6 Ų | 35.6 | 44% | 0.444 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -24.5 | 178.1 | 69.4 | -169.1 | 165.3 | 0 | 0 | 112.8 | R64 K65 R412 L416 Y417 P418 P420 | R64-E414 IonicContact CZ-OE1 3.48Å; R64-E414 IonicContact NH1-OE1 2.64Å; R64-E414 IonicContact NH2-OE1 3.22Å; R64-E414 PolarHBondContact NH2-OE1 2.58Å; K65-E414 IonicContact NZ-OE1 2.71Å; R412-E414 PolarHBondContact O-N 2.81Å; E414-L416 VanDerWaalsContact C-N 3.32Å; E414-Y417 CarbonylContact O-C 3.49Å; E414-P418 WeakPolarHBondContact O-CA 3.26Å; E414-P420 HydrophobicContact CB-CG 4.27Å |
| 415 | D | 95.8 | Very high | 97.6 | Very high | 105 Ų | 105 | 35.7 Ų | 35.7 | 56% | 0.561 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74 | -28.2 | 177.7 | -62.1 | -37.1 | 0 | 0 | 0 | 110.8 | R64 D413 | R64-D415 IonicContact CZ-OD2 2.64Å; R64-D415 IonicContact NE-OD2 3.12Å; R64-D415 PolarHBondContact NE-OD2 3.06Å; R64-D415 VanDerWaalsContact NH2-CG 3.34Å; R64-D415 IonicContact NH2-OD1 3.51Å; R64-D415 IonicContact NH2-OD2 2.62Å; R64-D415 PolarHBondContact NH2-OD2 2.7Å; D413-D415 PolarHBondContact O-N 2.79Å; D413-D415 PolarHBondContact OD1-N 3.48Å |
| 416 | L | 96.6 | Very high | 97.6 | Very high | 41 Ų | 41 | 38.7 Ų | 38.7 | 22% | 0.215 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -35.9 | 176.4 | -57.2 | -179.6 | 0 | 0 | 0 | 112.3 | T86 D413 E414 E440 | T86-L416 HydrophobicContact CG2-CD1 4.07Å; D413-L416 HydrophobicContact CB-CB 4.21Å; D413-L416 HydrophobicContact CB-CD1 4.06Å; D413-L416 HydrophobicContact CB-CG 4.01Å; D413-L416 PolarHBondContact O-N 2.8Å; E414-L416 VanDerWaalsContact C-N 3.32Å; L416-E440 HydrophobicContact CD1-CB 4.24Å; L416-E440 HydrophobicContact CD1-CG 4.11Å; L416-E440 HydrophobicContact CD2-CG 4.09Å |
| 417 | Y | 97.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -134.8 | 87.8 | -175.8 | -59.3 | -81.1 | 0 | 0 | 0 | 110.1 | R371 Y410 D413 E414 N419 P420 E440 W441 | R371-Y417 VanDerWaalsContact CD-CD1 3.43Å; R371-Y417 VanDerWaalsContact CD-CE1 3.49Å; R371-Y417 HydrophobicContact CG-CE1 4.34Å; Y410-Y417 WeakPolarHBondContact O-CD2 3.43Å; Y410-Y417 WeakPolarHBondContact O-CE2 3.44Å; D413-Y417 WeakPolarHBondContact O-CA 3.36Å; D413-Y417 PolarHBondContact O-N 3.47Å; E414-Y417 CarbonylContact O-C 3.49Å; Y417-N419 PolarHBondContact O-N 3.07Å; Y417-P420 WeakPolarHBondContact O-CA 3.32Å; Y417-P420 WeakPolarHBondContact O-CB 3.38Å; Y417-P420 VanDerWaalsContact O-CD 3.31Å; Y417-P420 WeakPolarHBondContact O-CD 3.42Å; Y417-E440 WeakPolarHBondContact CE2-O 3.47Å; Y417-E440 PolarHBondContact OH-O 3.37Å; Y417-W441 WeakPolarHBondContact OH-CB 3.4Å |
| 418 | P | 96.4 | Very high | 97.6 | Very high | 79 Ų | 79 | 40.2 Ų | 40.2 | 51% | 0.513 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -56.9 | 135.2 | -179.9 | -26.6 | 34.6 | 0 | 0 | 0 | 111.9 | E414 R427 | E414-P418 WeakPolarHBondContact O-CA 3.26Å; P418-R427 PolarHBondContact O-NH1 2.61Å; P418-R427 PolarHBondContact O-NH2 2.98Å |
| 419 | N | 97.4 | Very high | 97.6 | Very high | 122 Ų | 122 | 40.9 Ų | 40.9 | 65% | 0.652 | 21% | 0.214 | S | C | * | . | S | Bend | trans | 55.2 | 60.9 | -168.4 | -53.8 | -51.7 | 0 | 0 | 0 | 112.3 | Y417 E421 T422 R427 | Y417-N419 PolarHBondContact O-N 3.07Å; N419-E421 PolarHBondContact O-N 3.49Å; N419-E421 VanDerWaalsContact O-N 3.08Å; N419-T422 PolarHBondContact O-N 2.94Å; N419-T422 VanDerWaalsContact O-N 3.08Å; N419-R427 PolarHBondContact O-NH2 3.47Å |
| 420 | P | 97.2 | Very high | 97.5 | Very high | 18 Ų | 18 | 44.4 Ų | 44.4 | 12% | 0.117 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -17.2 | -166.6 | 24.4 | -33.7 | 0 | 0 | 0 | 114.3 | R371 L372 R412 E414 Y417 | R371-P420 VanDerWaalsContact CZ-O 3.27Å; R371-P420 PolarHBondContact NH1-O 2.76Å; R371-P420 PolarHBondContact NH2-O 2.77Å; L372-P420 VanDerWaalsContact CD2-O 3.26Å; L372-P420 WeakPolarHBondContact CD2-O 3.31Å; R412-P420 HydrophobicContact CB-CB 4.32Å; R412-P420 WeakPolarHBondContact O-CB 3.48Å; R412-P420 WeakPolarHBondContact O-CG 3.41Å; E414-P420 HydrophobicContact CB-CG 4.27Å; Y417-P420 WeakPolarHBondContact O-CA 3.32Å; Y417-P420 WeakPolarHBondContact O-CB 3.38Å; Y417-P420 VanDerWaalsContact O-CD 3.31Å; Y417-P420 WeakPolarHBondContact O-CD 3.42Å |
| 421 | E | 96.3 | Very high | 97.5 | Very high | 108 Ų | 108 | 50.7 Ų | 50.7 | 51% | 0.505 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -12.2 | 178.7 | -61.6 | -58.1 | 136.3 | 0 | 0 | 113.4 | R412 N419 | R412-E421 IonicContact CZ-OE1 3.41Å; R412-E421 IonicContact CZ-OE2 3.07Å; R412-E421 IonicContact NH1-OE1 3.47Å; R412-E421 PolarHBondContact NH1-OE1 2.76Å; R412-E421 IonicContact NH1-OE2 2.77Å; R412-E421 PolarHBondContact NH1-OE2 3.05Å; N419-E421 PolarHBondContact O-N 3.49Å; N419-E421 VanDerWaalsContact O-N 3.08Å |
| 422 | T | 97.7 | Very high | 97.4 | Very high | 79 Ų | 79 | 55.3 Ų | 55.3 | 49% | 0.485 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -83.8 | 130.2 | -179.7 | -54.7 | 0 | 0 | 0 | 0 | 110.8 | R371 N419 D424 | R371-T422 PolarHBondContact NH2-O 3.08Å; R371-T422 VanDerWaalsContact NH2-O 3.17Å; N419-T422 PolarHBondContact O-N 2.94Å; N419-T422 VanDerWaalsContact O-N 3.08Å; T422-D424 PolarHBondContact O-N 2.98Å |
| 423 | F | 98.6 | Very high | 97.4 | Very high | 11 Ų | 11 | 57.1 Ų | 57.1 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | trans | -73.6 | 98.4 | 171.8 | -171.5 | -93.2 | 0 | 0 | 0 | 110.1 | E325 I332 V365 E368 L372 P425 | E325-F423 HydrophobicContact CB-CD1 4.24Å; E325-F423 HydrophobicContact CB-CD2 3.67Å; E325-F423 HydrophobicContact CB-CE1 4.23Å; E325-F423 HydrophobicContact CB-CE2 3.7Å; E325-F423 HydrophobicContact CB-CG 4Å; E325-F423 HydrophobicContact CB-CZ 3.99Å; E325-F423 HydrophobicContact CG-CD2 3.48Å; E325-F423 VanDerWaalsContact CG-CD2 3.48Å; E325-F423 HydrophobicContact CG-CE2 3.77Å; E325-F423 HydrophobicContact CG-CG 4.11Å; I332-F423 HydrophobicContact CD1-CD1 3.74Å; I332-F423 HydrophobicContact CD1-CE1 4.16Å; I332-F423 HydrophobicContact CG2-CE1 4.22Å; V365-F423 HydrophobicContact CG1-CE1 4.37Å; V365-F423 HydrophobicContact CG1-CZ 3.93Å; E368-F423 HydrophobicContact CB-CE2 4.17Å; E368-F423 HydrophobicContact CB-CZ 4.36Å; E368-F423 HydrophobicContact CG-CD2 3.76Å; E368-F423 HydrophobicContact CG-CE2 3.79Å; E368-F423 HydrophobicContact CG-CG 4.11Å; E368-F423 HydrophobicContact CG-CZ 4.22Å; L372-F423 HydrophobicContact CD1-CB 3.81Å; L372-F423 HydrophobicContact CD1-CD2 3.54Å; L372-F423 HydrophobicContact CD1-CG 4.14Å; F423-P425 HydrophobicContact CD1-CG 4.3Å; F423-P425 HydrophobicContact CE1-CG 3.81Å; F423-P425 HydrophobicContact CZ-CG 4.49Å | ||
| 424 | D | 98.6 | Very high | 97.4 | Very high | 48 Ų | 48 | 61 Ų | 61 | 26% | 0.257 | 33% | 0.333 | S | S | . | . | trans | -126.9 | 97.5 | -178.7 | 175 | 18.9 | 0 | 0 | 0 | 111.5 | E368 T422 E426 R427 | E368-D424 VanDerWaalsContact CD-O 3.31Å; E368-D424 PolarHBondContact OE1-N 2.87Å; T422-D424 PolarHBondContact O-N 2.98Å; D424-E426 PolarHBondContact O-N 2.82Å; D424-E426 VanDerWaalsContact OD1-CB 3.24Å; D424-E426 WeakPolarHBondContact OD1-CB 3.47Å; D424-E426 PolarHBondContact OD1-N 3.43Å; D424-R427 HydrophobicContact CB-CG 4.17Å; D424-R427 WeakPolarHBondContact O-CB 3.29Å; D424-R427 WeakPolarHBondContact O-CG 3.34Å; D424-R427 PolarHBondContact O-N 2.83Å | ||
| 425 | P | 98.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.013 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -56.8 | -27.9 | 175.6 | -27.1 | 36.2 | 0 | 0 | 0 | 114 | I332 Y361 Q364 V365 F423 R427 F428 | I332-P425 HydrophobicContact CD1-CG 4.2Å; I332-P425 HydrophobicContact CG2-CG 3.91Å; Y361-P425 HydrophobicContact CE2-CB 3.85Å; Q364-P425 HydrophobicContact CB-CB 3.99Å; Q364-P425 WeakPolarHBondContact CB-O 3.46Å; V365-P425 HydrophobicContact CG2-CB 4.06Å; V365-P425 HydrophobicContact CG2-CG 3.84Å; F423-P425 HydrophobicContact CD1-CG 4.3Å; F423-P425 HydrophobicContact CE1-CG 3.81Å; F423-P425 HydrophobicContact CZ-CG 4.49Å; P425-R427 PolarHBondContact O-N 3.06Å; P425-F428 PolarHBondContact O-N 2.83Å |
| 426 | E | 98.1 | Very high | 97.4 | Very high | 63 Ų | 63 | 57.8 Ų | 57.8 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -65.9 | -12.7 | -178.5 | -64.6 | -61.9 | 147.3 | 0 | 0 | 112.7 | R335 D424 F428 S429 K432 | R335-E426 IonicContact CZ-OE1 3.91Å; R335-E426 IonicContact NH1-OE1 2.69Å; R335-E426 PolarHBondContact NH1-OE1 3.02Å; R335-E426 IonicContact NH2-OE1 2.55Å; R335-E426 PolarHBondContact NH2-OE1 2.98Å; D424-E426 PolarHBondContact O-N 2.82Å; D424-E426 VanDerWaalsContact OD1-CB 3.24Å; D424-E426 WeakPolarHBondContact OD1-CB 3.47Å; D424-E426 PolarHBondContact OD1-N 3.43Å; E426-F428 PolarHBondContact O-N 2.87Å; E426-S429 PolarHBondContact O-N 2.66Å; E426-K432 VanDerWaalsContact O-CD 3.27Å; E426-K432 WeakPolarHBondContact O-CD 3.21Å; E426-K432 WeakPolarHBondContact O-CE 3.08Å; E426-K432 PolarHBondContact O-NZ 3.33Å |
| 427 | R | 97.9 | Very high | 97.4 | Very high | 21 Ų | 21 | 59.6 Ų | 59.6 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -60.6 | -22.3 | 168 | -65 | 178.2 | -166.6 | -73 | -3.7 | 112.5 | E368 P418 N419 D424 P425 K432 R436 | E368-R427 IonicContact OE1-NE 3.38Å; P418-R427 PolarHBondContact O-NH1 2.61Å; P418-R427 PolarHBondContact O-NH2 2.98Å; N419-R427 PolarHBondContact O-NH2 3.47Å; D424-R427 HydrophobicContact CB-CG 4.17Å; D424-R427 WeakPolarHBondContact O-CB 3.29Å; D424-R427 WeakPolarHBondContact O-CG 3.34Å; D424-R427 PolarHBondContact O-N 2.83Å; P425-R427 PolarHBondContact O-N 3.06Å; R427-K432 WeakPolarHBondContact O-CB 3.39Å; R427-R436 PolarHBondContact O-NH2 3.23Å |
| 428 | F | 98.4 | Very high | 97.3 | Very high | 12 Ų | 12 | 62.3 Ų | 62.3 | 5% | 0.053 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -108.8 | 19.5 | -177.1 | -69.5 | -85.3 | 0 | 0 | 0 | 113.1 | Q364 S367 E368 R371 P425 E426 V433 W441 | Q364-F428 HydrophobicContact CB-CB 4.15Å; Q364-F428 HydrophobicContact CG-CB 4.09Å; Q364-F428 WeakPolarHBondContact CG-O 3.35Å; S367-F428 VanDerWaalsContact CB-CG 3.45Å; E368-F428 HydrophobicContact CB-CD2 4Å; E368-F428 HydrophobicContact CB-CE2 4.14Å; E368-F428 VanDerWaalsContact OE2-CE2 3.26Å; E368-F428 WeakPolarHBondContact OE2-CE2 3.25Å; R371-F428 HydrophobicContact CB-CE2 4.17Å; R371-F428 HydrophobicContact CB-CZ 4.08Å; P425-F428 PolarHBondContact O-N 2.83Å; E426-F428 PolarHBondContact O-N 2.87Å; F428-V433 HydrophobicContact CB-CG2 4.24Å; F428-V433 HydrophobicContact CD1-CG2 3.98Å; F428-W441 AromaticContact CE1-CD1 3.48Å; F428-W441 VanDerWaalsContact CE1-CD1 3.48Å; F428-W441 AromaticContact CE1-CD2 3.87Å; F428-W441 HydrophobicContact CE1-CD2 3.87Å; 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 3.32Å; F428-W441 VanDerWaalsContact CE1-NE1 3.32Å; F428-W441 AromaticContact CZ-CD1 3.34Å; F428-W441 HydrophobicContact CZ-CD2 4.45Å; F428-W441 AromaticContact CZ-CE2 3.95Å; F428-W441 HydrophobicContact CZ-CG 4.08Å; F428-W441 AromaticContact CZ-NE1 3.21Å |
| 429 | S | 97.8 | Very high | 97.3 | Very high | 13 Ų | 13 | 58.6 Ų | 58.6 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | trans | -53 | 146.9 | 167.2 | 94.7 | 0 | 0 | 0 | 0 | 110.4 | E426 E431 K432 V433 | E426-S429 PolarHBondContact O-N 2.66Å; S429-E431 WeakPolarHBondContact CB-OE2 3.43Å; S429-E431 PolarHBondContact O-N 3.13Å; S429-E431 VanDerWaalsContact O-N 3.1Å; S429-E431 PolarHBondContact OG-OE2 2.8Å; S429-K432 PolarHBondContact O-N 3.06Å; S429-K432 VanDerWaalsContact O-N 3.08Å; S429-K432 PolarHBondContact OG-N 3.47Å; S429-V433 WeakPolarHBondContact O-CG2 3.38Å; S429-V433 PolarHBondContact O-N 3.42Å | ||
| 430 | P | 96.6 | Very high | 97.3 | Very high | 74 Ų | 74 | 54.5 Ų | 54.5 | 48% | 0.481 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -50.9 | -38 | -178.6 | -28.5 | 36.2 | 0 | 0 | 0 | 113.5 | T360 A434 | T360-P430 HydrophobicContact CG2-CG 4.44Å; P430-A434 VanDerWaalsContact O-CB 3.32Å; P430-A434 WeakPolarHBondContact O-CB 3.26Å; P430-A434 PolarHBondContact O-N 3.12Å |
| 431 | E | 97.1 | Very high | 97.4 | Very high | 132 Ų | 132 | 56.1 Ų | 56.1 | 62% | 0.617 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -67.9 | -47 | 180 | -53.4 | 70.8 | -150.7 | 0 | 0 | 111.4 | S429 V433 A434 A435 | S429-E431 WeakPolarHBondContact CB-OE2 3.43Å; S429-E431 PolarHBondContact O-N 3.13Å; S429-E431 VanDerWaalsContact O-N 3.1Å; S429-E431 PolarHBondContact OG-OE2 2.8Å; E431-V433 VanDerWaalsContact C-N 3.34Å; E431-A434 PolarHBondContact O-N 3.31Å; E431-A435 WeakPolarHBondContact O-CB 3.33Å; E431-A435 PolarHBondContact O-N 3.31Å |
| 432 | K | 97.3 | Very high | 97.4 | Very high | 98 Ų | 98 | 51.1 Ų | 51.1 | 43% | 0.426 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.5 | -35.9 | 178.4 | -69.8 | -170.3 | -164.8 | 156.9 | 0 | 112 | E426 R427 S429 R436 | E426-K432 VanDerWaalsContact O-CD 3.27Å; E426-K432 WeakPolarHBondContact O-CD 3.21Å; E426-K432 WeakPolarHBondContact O-CE 3.08Å; E426-K432 PolarHBondContact O-NZ 3.33Å; R427-K432 WeakPolarHBondContact O-CB 3.39Å; S429-K432 PolarHBondContact O-N 3.06Å; S429-K432 VanDerWaalsContact O-N 3.08Å; S429-K432 PolarHBondContact OG-N 3.47Å; K432-R436 WeakPolarHBondContact O-CB 3.32Å; K432-R436 PolarHBondContact O-N 3.48Å |
| 433 | V | 97.2 | Very high | 97.4 | Very high | 70 Ų | 70 | 48.5 Ų | 48.5 | 42% | 0.424 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 174.5 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | F428 S429 E431 A435 R436 | F428-V433 HydrophobicContact CB-CG2 4.24Å; F428-V433 HydrophobicContact CD1-CG2 3.98Å; S429-V433 WeakPolarHBondContact O-CG2 3.38Å; S429-V433 PolarHBondContact O-N 3.42Å; E431-V433 VanDerWaalsContact C-N 3.34Å; V433-A435 VanDerWaalsContact C-N 3.32Å; V433-A435 PolarHBondContact O-N 3.48Å; V433-R436 PolarHBondContact O-N 3.03Å |
| 434 | A | 96.8 | Very high | 97.4 | Very high | 87 Ų | 87 | 49.8 Ų | 49.8 | 72% | 0.719 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -66.5 | -32.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P430 E431 | P430-A434 VanDerWaalsContact O-CB 3.32Å; P430-A434 WeakPolarHBondContact O-CB 3.26Å; P430-A434 PolarHBondContact O-N 3.12Å; E431-A434 PolarHBondContact O-N 3.31Å |
| 435 | A | 96.5 | Very high | 97.3 | Very high | 91 Ų | 91 | 48.2 Ų | 48.2 | 75% | 0.752 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -80 | -16.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | E431 V433 | E431-A435 WeakPolarHBondContact O-CB 3.33Å; E431-A435 PolarHBondContact O-N 3.31Å; V433-A435 VanDerWaalsContact C-N 3.32Å; V433-A435 PolarHBondContact O-N 3.48Å |
| 436 | R | 95.9 | Very high | 97.3 | Very high | 42 Ų | 42 | 49.6 Ų | 49.6 | 16% | 0.158 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -85.3 | 141.1 | -176 | -169.1 | -174.4 | -70.2 | 127.1 | 10.6 | 111.4 | R427 K432 V433 E440 | R427-R436 PolarHBondContact O-NH2 3.23Å; K432-R436 WeakPolarHBondContact O-CB 3.32Å; K432-R436 PolarHBondContact O-N 3.48Å; V433-R436 PolarHBondContact O-N 3.03Å; R436-E440 HydrophobicContact CG-CB 3.91Å; R436-E440 WeakPolarHBondContact CG-OE2 3.18Å |
| 437 | E | 96.7 | Very high | 97.2 | Very high | 79 Ų | 79 | 47.3 Ų | 47.3 | 37% | 0.369 | 27% | 0.274 | S | S | . | . | trans | -68.3 | 133 | 166.8 | -73.8 | -68.3 | 176.3 | 0 | 0 | 111 | K90 V439 E440 | K90-E437 VanDerWaalsContact NZ-CD 3.25Å; K90-E437 IonicContact NZ-OE1 3.11Å; K90-E437 PolarHBondContact NZ-OE1 3.35Å; K90-E437 VanDerWaalsContact NZ-OE1 3.16Å; K90-E437 IonicContact NZ-OE2 3.21Å; K90-E437 PolarHBondContact NZ-OE2 2.84Å; E437-V439 HydrophobicContact CB-CG2 4.44Å; E437-V439 PolarHBondContact O-N 3.42Å; E437-E440 HydrophobicContact CB-CG 4.02Å; E437-E440 WeakPolarHBondContact O-CB 3.38Å; E437-E440 PolarHBondContact O-N 3.22Å | ||
| 438 | S | 95.3 | Very high | 97.2 | Very high | 59 Ų | 59 | 49.4 Ų | 49.4 | 41% | 0.413 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -57.6 | -31.4 | -173 | 62.7 | 0 | 0 | 0 | 0 | 113.2 | E440 W441 D446 | S438-E440 VanDerWaalsContact C-N 3.26Å; S438-E440 PolarHBondContact O-N 3.14Å; S438-W441 CarbonylContact O-C 3.33Å; S438-W441 PolarHBondContact O-N 3.48Å; S438-W441 VanDerWaalsContact O-O 3.04Å; S438-D446 WeakPolarHBondContact CB-OD2 3.25Å; S438-D446 PolarHBondContact OG-OD2 3.29Å |
| 439 | V | 97.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.012 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -76.4 | -5.9 | 179.7 | -64.7 | 0 | 0 | 0 | 0 | 115.2 | K90 L93 I94 E437 W441 L442 D446 | K90-V439 HydrophobicContact CB-CG1 3.99Å; K90-V439 HydrophobicContact CB-CG2 3.9Å; K90-V439 HydrophobicContact CG-CG1 4.34Å; L93-V439 HydrophobicContact CD1-CG1 4.19Å; I94-V439 HydrophobicContact CD1-CG1 4.16Å; E437-V439 HydrophobicContact CB-CG2 4.44Å; E437-V439 PolarHBondContact O-N 3.42Å; V439-W441 VanDerWaalsContact C-N 3.27Å; V439-L442 HydrophobicContact CB-CD2 4.36Å; V439-L442 HydrophobicContact CG1-CD2 4.44Å; V439-L442 VanDerWaalsContact O-CD1 3.24Å; V439-L442 WeakPolarHBondContact O-CD1 3.5Å; V439-L442 VanDerWaalsContact O-CG 3.25Å; V439-L442 WeakPolarHBondContact O-CG 3.36Å; V439-D446 HydrophobicContact CG1-CB 4.45Å |
| 440 | E | 97.7 | Very high | 97.1 | Very high | 36 Ų | 36 | 50.3 Ų | 50.3 | 17% | 0.168 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -81.4 | -13.3 | 171.7 | -62 | 173.1 | -177.1 | 0 | 0 | 111.3 | T86 H411 L416 Y417 R436 E437 S438 | T86-E440 HydrophobicContact CG2-CG 4.39Å; H411-E440 PolarHBondContact CD2-O 3.41Å; L416-E440 HydrophobicContact CD1-CB 4.24Å; L416-E440 HydrophobicContact CD1-CG 4.11Å; L416-E440 HydrophobicContact CD2-CG 4.09Å; Y417-E440 WeakPolarHBondContact CE2-O 3.47Å; Y417-E440 PolarHBondContact OH-O 3.37Å; R436-E440 HydrophobicContact CG-CB 3.91Å; R436-E440 WeakPolarHBondContact CG-OE2 3.18Å; E437-E440 HydrophobicContact CB-CG 4.02Å; E437-E440 WeakPolarHBondContact O-CB 3.38Å; E437-E440 PolarHBondContact O-N 3.22Å; S438-E440 VanDerWaalsContact C-N 3.26Å; S438-E440 PolarHBondContact O-N 3.14Å |
| 441 | W | 98.3 | Very high | 97.2 | Very high | 52 Ų | 52 | 49.2 Ų | 49.2 | 20% | 0.197 | 29% | 0.289 | C | S | . | . | trans | -132 | 96.4 | 174.3 | -171.3 | 74.4 | 0 | 0 | 0 | 111.3 | S367 L370 Y417 F428 S438 V439 P443 F444 | S367-W441 PolarHBondContact O-NE1 3.41Å; L370-W441 HydrophobicContact CB-CZ2 4.24Å; L370-W441 HydrophobicContact CD1-CZ2 4.3Å; Y417-W441 WeakPolarHBondContact OH-CB 3.4Å; F428-W441 AromaticContact CE1-CD1 3.48Å; F428-W441 VanDerWaalsContact CE1-CD1 3.48Å; F428-W441 AromaticContact CE1-CD2 3.87Å; F428-W441 HydrophobicContact CE1-CD2 3.87Å; 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 3.32Å; F428-W441 VanDerWaalsContact CE1-NE1 3.32Å; F428-W441 AromaticContact CZ-CD1 3.34Å; F428-W441 HydrophobicContact CZ-CD2 4.45Å; 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 3.33Å; S438-W441 PolarHBondContact O-N 3.48Å; S438-W441 VanDerWaalsContact O-O 3.04Å; V439-W441 VanDerWaalsContact C-N 3.27Å; W441-P443 HydrophobicContact CD2-CG 3.66Å; W441-P443 HydrophobicContact CE3-CG 3.91Å; W441-P443 HydrophobicContact CG-CG 4.39Å; W441-P443 HydrophobicContact CH2-CG 3.59Å; W441-P443 HydrophobicContact CZ2-CG 3.3Å; W441-P443 HydrophobicContact CZ3-CG 3.87Å; W441-P443 WeakPolarHBondContact O-CD 3.16Å; W441-F444 HydrophobicContact CH2-CD2 4.32Å; W441-F444 HydrophobicContact CH2-CE2 4.24Å | ||
| 442 | L | 98.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | trans | -112.5 | 31.7 | -170.2 | -66.9 | 174.3 | 0 | 0 | 0 | 116.3 | L93 L379 I405 A407 Y410 H411 V439 F444 G445 D446 | L93-L442 HydrophobicContact CD1-CD1 4.28Å; L93-L442 HydrophobicContact CD1-CD2 3.9Å; L379-L442 HydrophobicContact CD1-CB 4.31Å; L379-L442 HydrophobicContact CD1-CD1 4.08Å; L379-L442 HydrophobicContact CD1-CD2 4.18Å; L379-L442 HydrophobicContact CD1-CG 4.45Å; I405-L442 HydrophobicContact CG2-CD1 3.89Å; A407-L442 HydrophobicContact CB-CB 3.85Å; A407-L442 HydrophobicContact CB-CD1 4.45Å; Y410-L442 HydrophobicContact CD2-CD1 3.98Å; Y410-L442 HydrophobicContact CE2-CD1 4.28Å; H411-L442 PolarHBondContact NE2-N 3.14Å; V439-L442 HydrophobicContact CB-CD2 4.36Å; V439-L442 HydrophobicContact CG1-CD2 4.44Å; V439-L442 VanDerWaalsContact O-CD1 3.24Å; V439-L442 WeakPolarHBondContact O-CD1 3.5Å; V439-L442 VanDerWaalsContact O-CG 3.25Å; V439-L442 WeakPolarHBondContact O-CG 3.36Å; L442-F444 PolarHBondContact O-N 2.94Å; L442-F444 VanDerWaalsContact O-N 3.14Å; L442-G445 PolarHBondContact O-N 3.42Å; L442-D446 HydrophobicContact CD2-CB 3.75Å | ||
| 443 | P | 97.1 | Very high | 97 | Very high | 25 Ų | 25 | 40.3 Ų | 40.3 | 16% | 0.162 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -20.5 | -178.1 | 28.4 | -33.7 | 0 | 0 | 0 | 113.5 | L370 W441 | L370-P443 HydrophobicContact CB-CB 3.77Å; L370-P443 HydrophobicContact CB-CG 4.03Å; L370-P443 HydrophobicContact CD1-CB 4.38Å; L370-P443 HydrophobicContact CD1-CG 4.4Å; L370-P443 HydrophobicContact CD2-CB 4.31Å; L370-P443 HydrophobicContact CG-CB 4.39Å; W441-P443 HydrophobicContact CD2-CG 3.66Å; W441-P443 HydrophobicContact CE3-CG 3.91Å; W441-P443 HydrophobicContact CG-CG 4.39Å; W441-P443 HydrophobicContact CH2-CG 3.59Å; W441-P443 HydrophobicContact CZ2-CG 3.3Å; W441-P443 HydrophobicContact CZ3-CG 3.87Å; W441-P443 WeakPolarHBondContact O-CD 3.16Å |
| 444 | F | 97.7 | Very high | 96.9 | Very high | 38 Ų | 38 | 39.6 Ų | 39.6 | 17% | 0.167 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 7.1 | 173.4 | -62.7 | -73.1 | 0 | 0 | 0 | 112.7 | L370 W441 L442 C451 M454 Q458 | L370-F444 HydrophobicContact CD1-CE2 3.56Å; L370-F444 HydrophobicContact CD1-CZ 3.7Å; W441-F444 HydrophobicContact CH2-CD2 4.32Å; W441-F444 HydrophobicContact CH2-CE2 4.24Å; L442-F444 PolarHBondContact O-N 2.94Å; L442-F444 VanDerWaalsContact O-N 3.14Å; F444-C451 HydrophobicContact CB-CB 3.85Å; F444-C451 HydrophobicContact CD1-CB 3.88Å; F444-C451 HydrophobicContact CG-CB 4.35Å; F444-C451 WeakPolarHBondContact O-CB 3.15Å; F444-C451 PolarHBondContact O-N 2.87Å; F444-M454 HydrophobicContact CB-CB 4.43Å; F444-M454 HydrophobicContact CB-CG 4.17Å; F444-M454 HydrophobicContact CB-SD 3.89Å; F444-M454 HydrophobicContact CD1-CB 3.95Å; F444-M454 HydrophobicContact CD1-CG 3.84Å; F444-M454 HydrophobicContact CD2-CG 3.76Å; F444-M454 HydrophobicContact CD2-SD 3.86Å; F444-M454 HydrophobicContact CE1-CB 4.41Å; F444-M454 HydrophobicContact CE1-CG 4.16Å; F444-M454 HydrophobicContact CE2-CG 4.08Å; F444-M454 HydrophobicContact CG-CB 4.1Å; F444-M454 HydrophobicContact CG-CG 3.63Å; F444-M454 HydrophobicContact CG-SD 3.88Å; F444-M454 HydrophobicContact CZ-CG 4.27Å; F444-Q458 HydrophobicContact CE2-CG 4.38Å; F444-Q458 HydrophobicContact CZ-CG 4.17Å |
| 445 | G | 97.7 | Very high | 96.8 | Very high | 14 Ų | 14 | 41.2 Ų | 41.2 | 14% | 0.144 | 23% | 0.234 | C | C | . | . | trans | 59.6 | -173.2 | -164 | 0 | 0 | 0 | 0 | 0 | 113.3 | L442 | L442-G445 PolarHBondContact O-N 3.42Š| ||
| 446 | D | 97.6 | Very high | 96.7 | Very high | 32 Ų | 32 | 37.4 Ų | 37.4 | 17% | 0.171 | 20% | 0.2 | C | C | . | . | trans | -140.6 | 169.1 | -178.5 | -152.2 | -12.6 | 0 | 0 | 0 | 111.9 | L93 S438 V439 L442 | L93-D446 HydrophobicContact CD1-CB 4.22Å; S438-D446 WeakPolarHBondContact CB-OD2 3.25Å; S438-D446 PolarHBondContact OG-OD2 3.29Å; V439-D446 HydrophobicContact CG1-CB 4.45Å; L442-D446 HydrophobicContact CD2-CB 3.75Å | ||
| 447 | G | 97.3 | Very high | 96.6 | Very high | 14 Ų | 14 | 35.9 Ų | 35.9 | 14% | 0.144 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 72.1 | -168 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L93 R449 N450 | L93-G447 WeakPolarHBondContact O-CA 3.08Å; G447-R449 PolarHBondContact O-N 3.32Å; G447-N450 WeakPolarHBondContact O-CB 3.43Å; G447-N450 PolarHBondContact O-N 3.31Å; G447-N450 VanDerWaalsContact O-N 3.08Å |
| 448 | P | 97.4 | Very high | 96.5 | Very high | 65 Ų | 65 | 33.8 Ų | 33.8 | 42% | 0.422 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -17.7 | -173.2 | -26.7 | 36.1 | 0 | 0 | 0 | 115.5 | F97 | F97-P448 HydrophobicContact CB-CG 4.42Å; F97-P448 HydrophobicContact CD1-CB 3.92Å; F97-P448 HydrophobicContact CD1-CG 3.65Å; F97-P448 HydrophobicContact CD2-CB 4.48Å; F97-P448 HydrophobicContact CD2-CG 4.26Å; F97-P448 HydrophobicContact CE1-CB 3.69Å; F97-P448 HydrophobicContact CE1-CG 3.98Å; F97-P448 HydrophobicContact CE2-CB 4.28Å; F97-P448 HydrophobicContact CG-CB 4.32Å; F97-P448 HydrophobicContact CG-CG 3.81Å; F97-P448 HydrophobicContact CZ-CB 3.9Å; F97-P448 HydrophobicContact CZ-CG 4.43Å |
| 449 | R | 97 | Very high | 96.5 | Very high | 3 Ų | 3 | 31.3 Ų | 31.3 | 1% | 0.011 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 24 | -179.1 | -161 | 159.4 | 179.2 | 167.1 | -5.7 | 113.3 | F97 A101 D102 R103 L121 D122 W126 G447 | F97-R449 HydrophobicContact CE2-CB 3.65Å; F97-R449 HydrophobicContact CZ-CB 3.91Å; A101-R449 WeakPolarHBondContact O-CD 3.26Å; A101-R449 PolarHBondContact O-NH1 2.64Å; D102-R449 IonicContact OD1-NH1 3.28Å; R103-R449 PolarHBondContact NH2-O 3.44Å; L121-R449 PolarHBondContact O-NH1 2.85Å; L121-R449 PolarHBondContact O-NH2 3.16Å; D122-R449 IonicContact OD1-CZ 3.25Å; D122-R449 IonicContact OD1-NH1 3.77Å; D122-R449 PolarHBondContact OD1-NH1 3.07Å; D122-R449 IonicContact OD1-NH2 2.75Å; D122-R449 PolarHBondContact OD1-NH2 3.21Å; W126-R449 VanDerWaalsContact CE2-CD 3.45Å; W126-R449 HydrophobicContact CH2-CB 4.09Å; 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 3.32Å |
| 450 | N | 97.4 | Very high | 96.3 | Very high | 41 Ų | 41 | 31.3 Ų | 31.3 | 22% | 0.219 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -65.3 | 175.1 | 169.4 | 75.5 | -11.1 | 0 | 0 | 0 | 112.6 | R130 G447 I452 | R130-N450 PolarHBondContact NH1-O 3.12Å; R130-N450 PolarHBondContact NH2-O 3.34Å; R130-N450 PolarHBondContact NH2-OD1 3.05Å; G447-N450 WeakPolarHBondContact O-CB 3.43Å; G447-N450 PolarHBondContact O-N 3.31Å; G447-N450 VanDerWaalsContact O-N 3.08Å; N450-I452 PolarHBondContact O-N 2.83Å |
| 451 | C | 97.6 | Very high | 96.3 | Very high | 52 Ų | 52 | 29.7 Ų | 29.7 | 35% | 0.351 | 16% | 0.163 | S | C | . | . | trans | -60.7 | 117.8 | 177.8 | -174.6 | 0 | 0 | 0 | 0 | 111.5 | F444 G453 M454 | F444-C451 HydrophobicContact CB-CB 3.85Å; F444-C451 HydrophobicContact CD1-CB 3.88Å; F444-C451 HydrophobicContact CG-CB 4.35Å; F444-C451 WeakPolarHBondContact O-CB 3.15Å; F444-C451 PolarHBondContact O-N 2.87Å; C451-G453 VanDerWaalsContact C-N 3.27Å; C451-G453 PolarHBondContact O-N 3.31Å; C451-M454 HydrophobicContact CB-CB 4.36Å | ||
| 452 | I | 96 | Very high | 96.2 | Very high | 25 Ų | 25 | 29.6 Ų | 29.6 | 13% | 0.128 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -32.2 | 177 | -158.9 | 175.7 | 0 | 0 | 0 | 111.9 | L118 L133 F137 F307 N450 | L118-I452 HydrophobicContact CD2-CB 4.34Å; L118-I452 HydrophobicContact CD2-CD1 3.86Å; L118-I452 HydrophobicContact CD2-CG2 4.02Å; L133-I452 HydrophobicContact CB-CD1 3.72Å; F137-I452 WeakPolarHBondContact CB-O 3.25Å; F137-I452 HydrophobicContact CD2-CD1 3.86Å; F137-I452 HydrophobicContact CD2-CG1 3.65Å; F137-I452 HydrophobicContact CD2-CG2 4.41Å; F137-I452 HydrophobicContact CE2-CD1 4.13Å; F137-I452 HydrophobicContact CE2-CG1 4.2Å; F137-I452 HydrophobicContact CE2-CG2 4.22Å; F137-I452 HydrophobicContact CG-CG1 4.3Å; F137-I452 WeakPolarHBondContact CG-O 3.31Å; F307-I452 HydrophobicContact CE1-CG2 3.64Å; F307-I452 HydrophobicContact CZ-CG2 3.88Å; N450-I452 PolarHBondContact O-N 2.83Å |
| 453 | G | 94.6 | Very high | 96.2 | Very high | 17 Ų | 17 | 29.5 Ų | 29.5 | 18% | 0.175 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 7.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | C451 R455 F456 G457 | C451-G453 VanDerWaalsContact C-N 3.27Å; C451-G453 PolarHBondContact O-N 3.31Å; G453-R455 VanDerWaalsContact C-N 3.32Å; G453-R455 PolarHBondContact O-N 3.21Å; G453-F456 PolarHBondContact O-N 3.29Å; G453-G457 PolarHBondContact O-N 2.86Å |
| 454 | M | 95.7 | Very high | 96.2 | Very high | 55 Ų | 55 | 28.3 Ų | 28.3 | 27% | 0.271 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -50 | -48.9 | -174 | 177.5 | 177.3 | 70.4 | 0 | 0 | 112.7 | F444 C451 F456 G457 Q458 | F444-M454 HydrophobicContact CB-CB 4.43Å; F444-M454 HydrophobicContact CB-CG 4.17Å; F444-M454 HydrophobicContact CB-SD 3.89Å; F444-M454 HydrophobicContact CD1-CB 3.95Å; F444-M454 HydrophobicContact CD1-CG 3.84Å; F444-M454 HydrophobicContact CD2-CG 3.76Å; F444-M454 HydrophobicContact CD2-SD 3.86Å; F444-M454 HydrophobicContact CE1-CB 4.41Å; F444-M454 HydrophobicContact CE1-CG 4.16Å; F444-M454 HydrophobicContact CE2-CG 4.08Å; F444-M454 HydrophobicContact CG-CB 4.1Å; F444-M454 HydrophobicContact CG-CG 3.63Å; F444-M454 HydrophobicContact CG-SD 3.88Å; F444-M454 HydrophobicContact CZ-CG 4.27Å; C451-M454 HydrophobicContact CB-CB 4.36Å; M454-F456 PolarHBondContact O-N 2.96Å; M454-G457 PolarHBondContact O-N 3.14Å; M454-Q458 WeakPolarHBondContact O-CB 3.39Å; M454-Q458 WeakPolarHBondContact O-CG 3.33Å; M454-Q458 PolarHBondContact O-N 3.38Å |
| 455 | R | 94 | Very high | 96.2 | Very high | 122 Ų | 122 | 26.5 Ų | 26.5 | 46% | 0.46 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -64.4 | -40.5 | -179.2 | -65.3 | -176.2 | -177.8 | 126.3 | -1.7 | 112.7 | F137 M142 G453 M459 | F137-R455 PolarHBondContact O-NH1 3.43Å; M142-R455 HydrophobicContact CG-CB 4.09Å; M142-R455 HydrophobicContact SD-CB 4.25Å; G453-R455 VanDerWaalsContact C-N 3.32Å; G453-R455 PolarHBondContact O-N 3.21Å; R455-M459 WeakPolarHBondContact O-CB 3.46Å; R455-M459 PolarHBondContact O-N 2.76Å |
| 456 | F | 93.5 | Very high | 96.2 | Very high | 11 Ų | 11 | 25.9 Ų | 25.9 | 5% | 0.048 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.4 | -46.1 | 178 | -177.7 | -95.8 | 0 | 0 | 0 | 111 | F137 M142 M145 I187 C190 G453 M454 Q458 M459 Q460 | F137-F456 HydrophobicContact CD1-CB 4.27Å; F137-F456 HydrophobicContact CE1-CB 4.32Å; M142-F456 HydrophobicContact SD-CB 3.88Å; M142-F456 HydrophobicContact SD-CD2 4.22Å; M145-F456 HydrophobicContact CE-CD2 4.14Å; M145-F456 HydrophobicContact CE-CE2 4.48Å; I187-F456 HydrophobicContact CD1-CE1 3.88Å; I187-F456 HydrophobicContact CD1-CZ 4.29Å; C190-F456 HydrophobicContact CB-CE2 4.08Å; C190-F456 HydrophobicContact CB-CZ 4.18Å; G453-F456 PolarHBondContact O-N 3.29Å; M454-F456 PolarHBondContact O-N 2.96Å; F456-Q458 PolarHBondContact O-N 3.2Å; F456-M459 HydrophobicContact CD2-CE 3.71Å; F456-M459 HydrophobicContact CE2-CE 4.05Å; F456-M459 WeakPolarHBondContact O-CB 3.46Å; F456-M459 PolarHBondContact O-N 3.02Å; F456-Q460 PolarHBondContact O-N 2.68Å |
| 457 | G | 94.6 | Very high | 96.1 | Very high | 10 Ų | 10 | 24.6 Ų | 24.6 | 10% | 0.103 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.9 | -46.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | G453 M454 Q460 A461 | G453-G457 PolarHBondContact O-N 2.86Å; M454-G457 PolarHBondContact O-N 3.14Å; G457-Q460 VanDerWaalsContact O-CG 3.23Å; G457-Q460 WeakPolarHBondContact O-CG 3.25Å; G457-A461 WeakPolarHBondContact O-CB 3.23Å; G457-A461 PolarHBondContact O-N 3.34Å |
| 458 | Q | 95.4 | Very high | 96.1 | Very high | 35 Ų | 35 | 24.3 Ų | 24.3 | 16% | 0.164 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.2 | -42.2 | 175.2 | -74.2 | 177.7 | -27.8 | 0 | 0 | 112.1 | F444 M454 F456 A461 R462 | F444-Q458 HydrophobicContact CE2-CG 4.38Å; F444-Q458 HydrophobicContact CZ-CG 4.17Å; M454-Q458 WeakPolarHBondContact O-CB 3.39Å; M454-Q458 WeakPolarHBondContact O-CG 3.33Å; M454-Q458 PolarHBondContact O-N 3.38Å; F456-Q458 PolarHBondContact O-N 3.2Å; Q458-A461 PolarHBondContact O-N 3.47Å; Q458-R462 WeakPolarHBondContact O-CB 3.3Å; Q458-R462 WeakPolarHBondContact O-CD 3.37Å; Q458-R462 WeakPolarHBondContact O-CG 3.41Å; Q458-R462 PolarHBondContact O-N 3.01Å |
| 459 | M | 94.6 | Very high | 96.1 | Very high | 7 Ų | 7 | 21.2 Ų | 21.2 | 3% | 0.034 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.6 | -50.1 | 178.2 | -179.4 | 175.8 | 62.9 | 0 | 0 | 111.6 | M142 F146 V149 Y353 R455 F456 A461 R462 I463 | M142-M459 HydrophobicContact CB-CE 4.49Å; M142-M459 HydrophobicContact CB-SD 4.22Å; M142-M459 HydrophobicContact SD-CE 4.09Å; F146-M459 HydrophobicContact CD2-CG 4.44Å; F146-M459 HydrophobicContact CD2-SD 3.93Å; V149-M459 HydrophobicContact CG2-CE 3.9Å; Y353-M459 HydrophobicContact CE2-SD 4.46Å; R455-M459 WeakPolarHBondContact O-CB 3.46Å; R455-M459 PolarHBondContact O-N 2.76Å; F456-M459 HydrophobicContact CD2-CE 3.71Å; F456-M459 HydrophobicContact CE2-CE 4.05Å; F456-M459 WeakPolarHBondContact O-CB 3.46Å; F456-M459 PolarHBondContact O-N 3.02Å; M459-A461 PolarHBondContact O-N 2.73Å; M459-R462 PolarHBondContact O-N 3.35Å; M459-I463 HydrophobicContact CG-CD1 3.73Å; M459-I463 WeakPolarHBondContact O-CD1 3.34Å; M459-I463 WeakPolarHBondContact O-CG1 3.26Å; M459-I463 PolarHBondContact O-N 3.47Å |
| 460 | Q | 93.5 | Very high | 96 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.3 | -38.5 | 179.2 | 66 | 177.9 | -26 | 0 | 0 | 112.4 | G311 S315 F456 G457 G464 | G311-Q460 PolarHBondContact O-NE2 2.64Å; S315-Q460 VanDerWaalsContact CB-CD 3.47Å; S315-Q460 PolarHBondContact OG-NE2 3.35Å; F456-Q460 PolarHBondContact O-N 2.68Å; G457-Q460 VanDerWaalsContact O-CG 3.23Å; G457-Q460 WeakPolarHBondContact O-CG 3.25Å; Q460-G464 PolarHBondContact O-N 2.67Å |
| 461 | A | 96.6 | Very high | 95.9 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 3% | 0.025 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.6 | -46.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M319 I366 G457 Q458 M459 L465 | M319-A461 HydrophobicContact CG-CB 4.09Å; I366-A461 HydrophobicContact CD1-CB 4.36Å; G457-A461 WeakPolarHBondContact O-CB 3.23Å; G457-A461 PolarHBondContact O-N 3.34Å; Q458-A461 PolarHBondContact O-N 3.47Å; M459-A461 PolarHBondContact O-N 2.73Å; A461-L465 WeakPolarHBondContact O-CB 3.27Å; A461-L465 WeakPolarHBondContact O-CD1 3.37Å; A461-L465 VanDerWaalsContact O-CG 3.26Å; A461-L465 WeakPolarHBondContact O-CG 3.41Å; A461-L465 PolarHBondContact O-N 2.77Å |
| 462 | R | 97.4 | Very high | 95.9 | Very high | 49 Ų | 49 | 22 Ų | 22 | 19% | 0.185 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.7 | -48.7 | 177.1 | -70.5 | 163.3 | -173.6 | 161.9 | -4.9 | 111.5 | I356 L362 N363 I366 Q458 M459 A466 | I356-R462 HydrophobicContact CD1-CB 4.4Å; I356-R462 HydrophobicContact CG2-CB 3.69Å; I356-R462 VanDerWaalsContact CG2-CD 3.49Å; I356-R462 HydrophobicContact CG2-CG 4.2Å; L362-R462 HydrophobicContact CD2-CB 3.93Å; L362-R462 HydrophobicContact CD2-CG 4.17Å; L362-R462 HydrophobicContact CG-CG 4.46Å; N363-R462 PolarHBondContact OD1-NE 2.98Å; N363-R462 PolarHBondContact OD1-NH2 3.01Å; I366-R462 HydrophobicContact CD1-CB 4.36Å; I366-R462 HydrophobicContact CD1-CG 3.61Å; Q458-R462 WeakPolarHBondContact O-CB 3.3Å; Q458-R462 WeakPolarHBondContact O-CD 3.37Å; Q458-R462 WeakPolarHBondContact O-CG 3.41Å; Q458-R462 PolarHBondContact O-N 3.01Å; M459-R462 PolarHBondContact O-N 3.35Å; R462-A466 WeakPolarHBondContact O-CB 3.48Å; R462-A466 PolarHBondContact O-N 2.8Å |
| 463 | I | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.4 | -47.6 | -178.3 | -68.6 | 163 | 0 | 0 | 0 | 110.4 | F146 V149 I150 I356 M459 L465 A466 Q467 | F146-I463 HydrophobicContact CD2-CD1 4.09Å; F146-I463 HydrophobicContact CE2-CD1 3.61Å; F146-I463 HydrophobicContact CE2-CG1 4.34Å; F146-I463 HydrophobicContact CZ-CD1 4.32Å; V149-I463 HydrophobicContact CB-CD1 4.39Å; V149-I463 HydrophobicContact CG1-CD1 3.35Å; I150-I463 HydrophobicContact CD1-CD1 4.32Å; I150-I463 HydrophobicContact CD1-CG2 4.18Å; I356-I463 HydrophobicContact CD1-CG1 3.71Å; I356-I463 HydrophobicContact CG1-CG1 3.87Å; M459-I463 HydrophobicContact CG-CD1 3.73Å; M459-I463 WeakPolarHBondContact O-CD1 3.34Å; M459-I463 WeakPolarHBondContact O-CG1 3.26Å; M459-I463 PolarHBondContact O-N 3.47Å; I463-L465 PolarHBondContact O-N 3.35Å; I463-A466 PolarHBondContact O-N 3.41Å; I463-Q467 HydrophobicContact CG2-CG 4.23Å; I463-Q467 WeakPolarHBondContact O-CB 3.35Å; I463-Q467 WeakPolarHBondContact O-CG 3.42Å; I463-Q467 PolarHBondContact O-N 2.94Å |
| 464 | G | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.5 | -47.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q460 I468 | Q460-G464 PolarHBondContact O-N 2.67Å; G464-I468 VanDerWaalsContact O-CG1 3.31Å; G464-I468 WeakPolarHBondContact O-CG1 3.4Å; G464-I468 PolarHBondContact O-N 3.34Å |
| 465 | L | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68 | -44 | 178.5 | -69.4 | 166.8 | 0 | 0 | 0 | 112.2 | M319 C322 L323 L362 I366 A461 I463 Q467 I468 I469 | M319-L465 HydrophobicContact CB-CD2 4.32Å; M319-L465 HydrophobicContact CB-CG 4.49Å; M319-L465 HydrophobicContact CG-CD1 4.36Å; M319-L465 HydrophobicContact CG-CD2 4.4Å; M319-L465 HydrophobicContact CG-CG 4.04Å; C322-L465 HydrophobicContact CB-CD1 4.07Å; C322-L465 HydrophobicContact CB-CD2 4Å; L323-L465 HydrophobicContact CD1-CD2 4.46Å; L323-L465 HydrophobicContact CD2-CD2 3.85Å; L323-L465 HydrophobicContact CG-CD2 3.8Å; L362-L465 HydrophobicContact CD1-CB 4Å; L362-L465 HydrophobicContact CD1-CD1 4.38Å; I366-L465 HydrophobicContact CD1-CD1 3.85Å; I366-L465 HydrophobicContact CG1-CD1 3.57Å; A461-L465 WeakPolarHBondContact O-CB 3.27Å; A461-L465 WeakPolarHBondContact O-CD1 3.37Å; A461-L465 VanDerWaalsContact O-CG 3.26Å; A461-L465 WeakPolarHBondContact O-CG 3.41Å; A461-L465 PolarHBondContact O-N 2.77Å; I463-L465 PolarHBondContact O-N 3.35Å; L465-Q467 VanDerWaalsContact C-N 3.3Å; L465-Q467 PolarHBondContact O-N 2.67Å; L465-I468 PolarHBondContact O-N 3.16Å; L465-I469 WeakPolarHBondContact O-CB 3.36Å; L465-I469 WeakPolarHBondContact O-CG1 3.5Å; L465-I469 PolarHBondContact O-N 3.23Å |
| 466 | A | 97.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.008 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.7 | -43 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I340 L351 I356 M359 L362 R462 I463 I468 S470 | I340-A466 HydrophobicContact CD1-CB 4.45Å; I340-A466 HydrophobicContact CG2-CB 4.37Å; L351-A466 HydrophobicContact CD2-CB 4.24Å; I356-A466 HydrophobicContact CD1-CB 4.38Å; M359-A466 HydrophobicContact CE-CB 4.43Å; M359-A466 HydrophobicContact SD-CB 4.08Å; L362-A466 HydrophobicContact CD2-CB 4.21Å; R462-A466 WeakPolarHBondContact O-CB 3.48Å; R462-A466 PolarHBondContact O-N 2.8Å; I463-A466 PolarHBondContact O-N 3.41Å; A466-I468 VanDerWaalsContact C-N 3.34Å; A466-I468 PolarHBondContact O-N 3.14Å; A466-S470 VanDerWaalsContact O-CB 3.23Å; A466-S470 WeakPolarHBondContact O-CB 3.27Å; A466-S470 PolarHBondContact O-N 3.33Å; A466-S470 VanDerWaalsContact O-N 3.09Å; A466-S470 PolarHBondContact O-OG 2.9Å |
| 467 | Q | 95.8 | Very high | 96.5 | Very high | 6 Ų | 6 | 19.5 Ų | 19.5 | 3% | 0.028 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.4 | -39.7 | 177.8 | -73.4 | -74.4 | 28.9 | 0 | 0 | 113 | S153 V157 L351 I463 L465 R471 | S153-Q467 PolarHBondContact OG-NE2 2.78Å; V157-Q467 HydrophobicContact CG2-CB 3.7Å; V157-Q467 HydrophobicContact CG2-CG 4.12Å; L351-Q467 HydrophobicContact CD1-CG 3.68Å; I463-Q467 HydrophobicContact CG2-CG 4.23Å; I463-Q467 WeakPolarHBondContact O-CB 3.35Å; I463-Q467 WeakPolarHBondContact O-CG 3.42Å; I463-Q467 PolarHBondContact O-N 2.94Å; L465-Q467 VanDerWaalsContact C-N 3.3Å; L465-Q467 PolarHBondContact O-N 2.67Å; Q467-R471 PolarHBondContact O-NH1 3.21Å |
| 468 | I | 97.4 | Very high | 96.5 | Very high | 7 Ų | 7 | 26.9 Ų | 26.9 | 4% | 0.036 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -73.2 | -56.5 | 178.5 | -64.1 | 166.2 | 0 | 0 | 0 | 110 | F156 I160 M179 L323 G464 L465 A466 S470 R471 F472 V474 | F156-I468 HydrophobicContact CE1-CD1 3.86Å; F156-I468 HydrophobicContact CE1-CG1 3.77Å; F156-I468 HydrophobicContact CZ-CD1 3.8Å; F156-I468 HydrophobicContact CZ-CG1 4.06Å; I160-I468 HydrophobicContact CD1-CG1 4.08Å; M179-I468 HydrophobicContact CE-CD1 3.87Å; M179-I468 HydrophobicContact SD-CD1 4.04Å; L323-I468 HydrophobicContact CD1-CD1 3.71Å; L323-I468 HydrophobicContact CD2-CD1 4.35Å; L323-I468 HydrophobicContact CD2-CG2 4.02Å; G464-I468 VanDerWaalsContact O-CG1 3.31Å; G464-I468 WeakPolarHBondContact O-CG1 3.4Å; G464-I468 PolarHBondContact O-N 3.34Å; L465-I468 PolarHBondContact O-N 3.16Å; A466-I468 VanDerWaalsContact C-N 3.34Å; A466-I468 PolarHBondContact O-N 3.14Å; I468-S470 VanDerWaalsContact C-N 3.27Å; I468-S470 PolarHBondContact O-N 2.87Å; I468-R471 PolarHBondContact O-N 3.37Å; I468-R471 VanDerWaalsContact O-N 3.1Å; I468-F472 HydrophobicContact CG2-CB 4.39Å; I468-F472 WeakPolarHBondContact O-CA 3.42Å; I468-F472 WeakPolarHBondContact O-CB 3.45Å; I468-F472 WeakPolarHBondContact O-CD2 3.36Å; I468-F472 PolarHBondContact O-N 3.33Å; I468-V474 HydrophobicContact CG2-CG2 3.94Å |
| 469 | I | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.4 | -27.8 | -169.6 | -62.3 | -55.6 | 0 | 0 | 0 | 112.4 | L323 L326 Q333 L336 R337 I340 L465 R471 | L323-I469 HydrophobicContact CD2-CD1 3.94Å; L326-I469 HydrophobicContact CD1-CD1 3.8Å; L326-I469 HydrophobicContact CD1-CG1 4.05Å; Q333-I469 HydrophobicContact CG-CD1 4.04Å; Q333-I469 HydrophobicContact CG-CG2 4.48Å; L336-I469 HydrophobicContact CD2-CG1 4.32Å; L336-I469 HydrophobicContact CD2-CG2 4.33Å; L336-I469 HydrophobicContact CG-CG2 4.22Å; R337-I469 HydrophobicContact CB-CG2 3.84Å; R337-I469 HydrophobicContact CG-CG2 4.48Å; R337-I469 PolarHBondContact NE-O 3.05Å; I340-I469 HydrophobicContact CD1-CB 3.96Å; I340-I469 HydrophobicContact CD1-CG2 3.91Å; L465-I469 WeakPolarHBondContact O-CB 3.36Å; L465-I469 WeakPolarHBondContact O-CG1 3.5Å; L465-I469 PolarHBondContact O-N 3.23Å; I469-R471 VanDerWaalsContact C-N 3.3Å; I469-R471 PolarHBondContact O-N 3.01Å |
| 470 | S | 95.4 | Very high | 96.6 | Very high | 16 Ų | 16 | 29.8 Ų | 29.8 | 11% | 0.112 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -17.8 | 176.5 | 74 | 0 | 0 | 0 | 0 | 114.5 | A466 I468 | A466-S470 VanDerWaalsContact O-CB 3.23Å; A466-S470 WeakPolarHBondContact O-CB 3.27Å; A466-S470 PolarHBondContact O-N 3.33Å; A466-S470 VanDerWaalsContact O-N 3.09Å; A466-S470 PolarHBondContact O-OG 2.9Å; I468-S470 VanDerWaalsContact C-N 3.27Å; I468-S470 PolarHBondContact O-N 2.87Å |
| 471 | R | 94.3 | Very high | 96.7 | Very high | 95 Ų | 95 | 32.6 Ų | 32.6 | 36% | 0.358 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | -16.5 | -172.5 | -71.6 | 174.8 | -173.7 | 78.3 | -4.6 | 114.5 | Q467 I468 I469 I506 | Q467-R471 PolarHBondContact O-NH1 3.21Å; I468-R471 PolarHBondContact O-N 3.37Å; I468-R471 VanDerWaalsContact O-N 3.1Å; I469-R471 VanDerWaalsContact C-N 3.3Å; I469-R471 PolarHBondContact O-N 3.01Å; R471-I506 VanDerWaalsContact C-CG1 3.41Å; R471-I506 VanDerWaalsContact O-CG1 3.3Å; R471-I506 WeakPolarHBondContact O-CG1 3.35Å; R471-I506 PolarHBondContact O-N 3.49Å |
| 472 | F | 96.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 147.6 | -176.3 | -54.2 | -87.1 | 0 | 0 | 0 | 110.6 | I160 V164 R337 I468 V503 E504 R505 | I160-F472 HydrophobicContact CB-CE2 4.24Å; I160-F472 HydrophobicContact CB-CZ 4Å; I160-F472 HydrophobicContact CG2-CD1 4.16Å; I160-F472 HydrophobicContact CG2-CD2 4.24Å; I160-F472 HydrophobicContact CG2-CE1 3.64Å; I160-F472 HydrophobicContact CG2-CE2 3.75Å; I160-F472 HydrophobicContact CG2-CG 4.44Å; I160-F472 HydrophobicContact CG2-CZ 3.42Å; I160-F472 VanDerWaalsContact CG2-CZ 3.42Å; V164-F472 HydrophobicContact CB-CE1 4.3Å; V164-F472 HydrophobicContact CG2-CE1 4.41Å; R337-F472 PolarHBondContact NH2-O 2.97Å; I468-F472 HydrophobicContact CG2-CB 4.39Å; I468-F472 WeakPolarHBondContact O-CA 3.42Å; I468-F472 WeakPolarHBondContact O-CB 3.45Å; I468-F472 WeakPolarHBondContact O-CD2 3.36Å; I468-F472 PolarHBondContact O-N 3.33Å; F472-V503 HydrophobicContact CB-CG1 3.7Å; F472-V503 HydrophobicContact CD1-CG1 3.74Å; F472-V503 HydrophobicContact CG-CG1 3.86Å; F472-E504 CarbonylContact C-O 3.53Å; F472-E504 WeakPolarHBondContact CA-O 3.42Å; F472-E504 WeakPolarHBondContact CB-O 3.17Å; F472-R505 HydrophobicContact CD1-CG 4.03Å; F472-R505 HydrophobicContact CE1-CG 3.74Å |
| 473 | R | 97.2 | Very high | 96.4 | Very high | 72 Ų | 72 | 39.6 Ų | 39.6 | 27% | 0.272 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 135 | 161.8 | -177.2 | 176.2 | -70.6 | -91.7 | -1.2 | 108.2 | Q330 D334 V503 E504 I506 | Q330-R473 VanDerWaalsContact OE1-NH1 3.07Å; D334-R473 IonicContact OD1-CZ 3.34Å; D334-R473 IonicContact OD1-NH1 3.76Å; D334-R473 PolarHBondContact OD1-NH1 2.67Å; D334-R473 IonicContact OD1-NH2 3.73Å; D334-R473 PolarHBondContact OD1-NH2 2.9Å; D334-R473 IonicContact OD2-NH1 3.15Å; D334-R473 IonicContact OD2-NH2 3.79Å; R473-V503 WeakPolarHBondContact O-CA 3.39Å; R473-E504 PolarHBondContact N-O 3.47Å; R473-E504 PolarHBondContact O-N 2.99Å; R473-I506 HydrophobicContact CB-CG2 3.96Å |
| 474 | V | 97.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 130.1 | 176.2 | -171.6 | 0 | 0 | 0 | 0 | 108.8 | L323 A327 Q330 Q333 I468 L501 R502 V503 | L323-V474 HydrophobicContact CD2-CG2 4.24Å; A327-V474 HydrophobicContact CB-CG1 4.24Å; Q330-V474 PolarHBondContact NE2-O 2.67Å; Q333-V474 PolarHBondContact NE2-O 3.23Å; I468-V474 HydrophobicContact CG2-CG2 3.94Å; V474-L501 HydrophobicContact CG1-CB 3.61Å; V474-L501 HydrophobicContact CG1-CD1 3.44Å; V474-L501 VanDerWaalsContact CG1-CD1 3.44Å; V474-L501 HydrophobicContact CG1-CG 4.09Å; V474-R502 CarbonylContact C-O 3.57Å; V474-R502 VanDerWaalsContact CA-O 3.31Å; V474-R502 WeakPolarHBondContact CA-O 3.26Å; V474-V503 HydrophobicContact CG2-CG2 4.45Å |
| 475 | S | 97.8 | Very high | 96.2 | Very high | 24 Ų | 24 | 46.4 Ų | 46.4 | 17% | 0.168 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 167 | -176.8 | 58.3 | 0 | 0 | 0 | 0 | 111.3 | R502 | S475-R502 PolarHBondContact N-O 3.03Å; S475-R502 PolarHBondContact O-N 2.87Å |
| 476 | L | 97.7 | Very high | 96 | Very high | 66 Ų | 66 | 49.4 Ų | 49.4 | 35% | 0.346 | 25% | 0.252 | S | S | . | . | trans | -66.5 | 154.4 | 176.3 | -56.4 | 177.1 | 0 | 0 | 0 | 110.9 | A327 Q328 T480 I482 L501 | A327-L476 HydrophobicContact CB-CD2 3.99Å; Q328-L476 HydrophobicContact CG-CD1 4.27Å; Q328-L476 HydrophobicContact CG-CD2 3.81Å; Q328-L476 HydrophobicContact CG-CG 4.49Å; L476-T480 HydrophobicContact CD2-CG2 3.8Å; L476-I482 HydrophobicContact CD1-CD1 3.65Å; L476-I482 HydrophobicContact CD2-CD1 3.94Å; L476-I482 HydrophobicContact CG-CD1 4.34Å; L476-L501 HydrophobicContact CD2-CD2 4.27Å | ||
| 477 | C | 95.9 | Very high | 95.7 | Very high | 14 Ų | 14 | 50.8 Ų | 50.8 | 10% | 0.095 | 26% | 0.261 | C | S | . | . | trans | -136.6 | 170.8 | 171.7 | 70.4 | 0 | 0 | 0 | 0 | 110.3 | V172 T479 T480 R502 | V172-C477 HydrophobicContact CG2-CB 4Å; C477-T479 PolarHBondContact O-N 2.7Å; C477-T479 PolarHBondContact SG-OG1 2.78Å; C477-T480 PolarHBondContact N-OG1 3.15Å; C477-T480 WeakPolarHBondContact O-CB 3.22Å; C477-T480 PolarHBondContact O-N 2.86Å; C477-T480 PolarHBondContact O-OG1 2.77Å; C477-T480 PolarHBondContact SG-OG1 3.41Å; C477-R502 HydrophobicContact CB-CB 4.2Å | ||
| 478 | D | 95.3 | Very high | 95.3 | Very high | 166 Ų | 166 | 51.8 Ų | 51.8 | 89% | 0.888 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -20.3 | -177 | -53.9 | -26.7 | 0 | 0 | 0 | 113.6 | ||
| 479 | T | 95.3 | Very high | 94.6 | Very high | 85 Ų | 85 | 54 Ų | 54 | 52% | 0.521 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -3.9 | 177.3 | 61.4 | 0 | 0 | 0 | 0 | 113.9 | C477 E481 Y500 | C477-T479 PolarHBondContact O-N 2.7Å; C477-T479 PolarHBondContact SG-OG1 2.78Å; T479-E481 PolarHBondContact O-N 3.31Å; T479-Y500 VanDerWaalsContact OG1-CB 3.26Å; T479-Y500 WeakPolarHBondContact OG1-CB 3.09Å |
| 480 | T | 96.9 | Very high | 93.8 | Very high | 17 Ų | 17 | 55 Ų | 55 | 10% | 0.104 | 29% | 0.286 | C | S | . | . | trans | -71.1 | 120.2 | 178.4 | -51.8 | 0 | 0 | 0 | 0 | 109.9 | Y324 L476 C477 I482 Y500 L501 | Y324-T480 HydrophobicContact CD2-CG2 4.2Å; Y324-T480 HydrophobicContact CE2-CG2 3.98Å; L476-T480 HydrophobicContact CD2-CG2 3.8Å; C477-T480 PolarHBondContact N-OG1 3.15Å; C477-T480 WeakPolarHBondContact O-CB 3.22Å; C477-T480 PolarHBondContact O-N 2.86Å; C477-T480 PolarHBondContact O-OG1 2.77Å; C477-T480 PolarHBondContact SG-OG1 3.41Å; T480-I482 HydrophobicContact CG2-CD1 4.42Å; T480-I482 HydrophobicContact CG2-CG1 4.11Å; T480-I482 PolarHBondContact O-N 2.94Å; T480-Y500 WeakPolarHBondContact CB-O 3.5Å; T480-Y500 PolarHBondContact OG1-O 2.91Å; T480-L501 HydrophobicContact CG2-CD2 3.83Å | ||
| 481 | E | 96 | Very high | 93 | Very high | 60 Ų | 60 | 58 Ų | 58 | 28% | 0.28 | 30% | 0.3 | S | S | . | . | trans | -79.1 | 121.3 | 177.7 | -173.5 | 166.3 | -135.2 | 0 | 0 | 110.8 | T479 L484 K485 | T479-E481 PolarHBondContact O-N 3.31Å; E481-L484 WeakPolarHBondContact O-CD2 3.47Å; E481-K485 WeakPolarHBondContact OE1-CD 3.4Å; E481-K485 WeakPolarHBondContact OE1-CE 3.46Å; E481-K485 WeakPolarHBondContact OE1-CG 3.42Å; E481-K485 IonicContact OE1-NZ 2.68Å; E481-K485 PolarHBondContact OE1-NZ 3.01Å; E481-K485 PolarHBondContact OE2-N 2.87Å | ||
| 482 | I | 94.5 | Very high | 92.7 | Very high | 92 Ų | 92 | 54.5 Ų | 54.5 | 47% | 0.472 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -134.1 | 118.3 | -179.8 | -52.4 | 176.6 | 0 | 0 | 0 | 108.7 | Y324 L476 T480 | Y324-I482 HydrophobicContact CE2-CG1 4.34Å; L476-I482 HydrophobicContact CD1-CD1 3.65Å; L476-I482 HydrophobicContact CD2-CD1 3.94Å; L476-I482 HydrophobicContact CG-CD1 4.34Å; T480-I482 HydrophobicContact CG2-CD1 4.42Å; T480-I482 HydrophobicContact CG2-CG1 4.11Å; T480-I482 PolarHBondContact O-N 2.94Å |
| 483 | P | 93.5 | Very high | 92.5 | Very high | 108 Ų | 108 | 54.8 Ų | 54.8 | 70% | 0.701 | 29% | 0.29 | S | S | * | . | S | Bend | cis | -70.8 | 153.7 | -10 | 32.3 | -35.6 | 0 | 0 | 0 | 111.7 | ||
| 484 | L | 94.9 | Very high | 92.1 | Very high | 15 Ų | 15 | 51.5 Ų | 51.5 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 138.6 | 174.7 | -67.4 | 174.6 | 0 | 0 | 0 | 112 | Y321 Y324 Y373 E481 Y486 T495 I499 | Y321-L484 HydrophobicContact CD1-CD1 3.86Å; Y321-L484 HydrophobicContact CE1-CD1 3.83Å; Y324-L484 HydrophobicContact CD1-CD1 3.83Å; Y324-L484 HydrophobicContact CD1-CG 4.39Å; Y324-L484 HydrophobicContact CD2-CD1 4.11Å; Y324-L484 HydrophobicContact CD2-CD2 4.06Å; Y324-L484 HydrophobicContact CD2-CG 4.16Å; Y324-L484 HydrophobicContact CE1-CD1 3.87Å; Y324-L484 HydrophobicContact CE1-CG 4.01Å; Y324-L484 HydrophobicContact CE2-CD1 4.13Å; Y324-L484 HydrophobicContact CE2-CD2 3.79Å; Y324-L484 HydrophobicContact CE2-CG 3.73Å; Y324-L484 HydrophobicContact CG-CD1 3.97Å; Y324-L484 HydrophobicContact CG-CG 4.48Å; Y373-L484 HydrophobicContact CE1-CD1 4.31Å; E481-L484 WeakPolarHBondContact O-CD2 3.47Å; L484-Y486 HydrophobicContact CB-CE1 4.39Å; L484-T495 HydrophobicContact CD1-CG2 4.23Å; L484-T495 HydrophobicContact CD2-CG2 4.41Å; L484-I499 HydrophobicContact CD1-CD1 3.98Å; L484-I499 HydrophobicContact CD2-CD1 4.39Å; L484-I499 HydrophobicContact CD2-CG1 4.09Å |
| 485 | K | 94.1 | Very high | 91.8 | Very high | 127 Ų | 127 | 51.9 Ų | 51.9 | 55% | 0.552 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -92.5 | 137.6 | 168.8 | -67.4 | -177.2 | -171.9 | 125.8 | 0 | 110.8 | E481 T495 V496 | E481-K485 WeakPolarHBondContact OE1-CD 3.4Å; E481-K485 WeakPolarHBondContact OE1-CE 3.46Å; E481-K485 WeakPolarHBondContact OE1-CG 3.42Å; E481-K485 IonicContact OE1-NZ 2.68Å; E481-K485 PolarHBondContact OE1-NZ 3.01Å; E481-K485 PolarHBondContact OE2-N 2.87Å; K485-T495 CarbonylContact O-C 3.52Å; K485-T495 VanDerWaalsContact O-CA 3.26Å; K485-T495 WeakPolarHBondContact O-CA 3.41Å; K485-V496 HydrophobicContact CB-CB 4.22Å; K485-V496 HydrophobicContact CB-CG2 4.3Å; K485-V496 PolarHBondContact O-N 2.87Å |
| 486 | Y | 93.9 | Very high | 91.3 | Very high | 64 Ų | 64 | 54.2 Ų | 54.2 | 25% | 0.251 | 30% | 0.295 | S | S | . | . | B | Isolated β-bridge | trans | -104.9 | 143.2 | -180 | -55.2 | -71.5 | 0 | 0 | 0 | 112.7 | Y321 Y373 L484 P488 L493 G494 | Y321-Y486 HydrophobicContact CE1-CE1 4.12Å; Y373-Y486 WeakPolarHBondContact CE1-OH 3.41Å; L484-Y486 HydrophobicContact CB-CE1 4.39Å; Y486-P488 WeakPolarHBondContact O-CD 3.47Å; Y486-L493 HydrophobicContact CD1-CD1 3.57Å; Y486-L493 HydrophobicContact CD1-CG 3.84Å; Y486-L493 HydrophobicContact CD2-CD1 4.12Å; Y486-L493 HydrophobicContact CE1-CD1 3.9Å; Y486-L493 HydrophobicContact CE1-CD2 4.11Å; Y486-L493 HydrophobicContact CE1-CG 3.87Å; Y486-L493 HydrophobicContact CE2-CD1 4.42Å; Y486-L493 HydrophobicContact CG-CD1 3.69Å; Y486-L493 HydrophobicContact CG-CG 4.46Å; Y486-G494 CarbonylContact C-O 3.47Å; Y486-G494 VanDerWaalsContact CA-O 3.3Å; Y486-G494 WeakPolarHBondContact CA-O 3.2Å |
| 487 | S | 90.9 | Very high | 90.7 | Very high | 30 Ų | 30 | 53.8 Ų | 53.8 | 21% | 0.21 | 31% | 0.306 | C | S | . | . | trans | -77.5 | 115.8 | -176.7 | 177.6 | 0 | 0 | 0 | 0 | 111 | V51 M489 S490 G494 | V51-S487 WeakPolarHBondContact CG1-O 3.44Å; S487-M489 PolarHBondContact O-N 3.49Å; S487-M489 VanDerWaalsContact O-N 3.15Å; S487-M489 PolarHBondContact OG-N 2.73Å; S487-S490 PolarHBondContact O-N 2.59Å; S487-G494 PolarHBondContact N-O 3.03Å | ||
| 488 | P | 87.9 | Confident | 90.4 | Very high | 27 Ų | 27 | 53.7 Ų | 53.7 | 18% | 0.175 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -15.7 | 177.9 | 29.1 | -35.5 | 0 | 0 | 0 | 112.6 | R47 R50 Y486 | R47-P488 VanDerWaalsContact CA-O 3.24Å; R47-P488 WeakPolarHBondContact CA-O 3.36Å; R50-P488 WeakPolarHBondContact O-CB 3.45Å; Y486-P488 WeakPolarHBondContact O-CD 3.47Å |
| 489 | M | 82.7 | Confident | 90.5 | Very high | 54 Ų | 54 | 45.9 Ų | 45.9 | 27% | 0.266 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -22.6 | 179.9 | -69.7 | -61 | -63.6 | 0 | 0 | 113.1 | R47 M217 S487 | R47-M489 HydrophobicContact CB-SD 3.91Å; R47-M489 PolarHBondContact NH1-O 2.88Å; R47-M489 VanDerWaalsContact O-SD 3.41Å; M217-M489 HydrophobicContact CE-CE 3.86Å; S487-M489 PolarHBondContact O-N 3.49Å; S487-M489 VanDerWaalsContact O-N 3.15Å; S487-M489 PolarHBondContact OG-N 2.73Å |
| 490 | S | 81.6 | Confident | 90.6 | Very high | 20 Ų | 20 | 46.3 Ų | 46.3 | 14% | 0.14 | 26% | 0.258 | C | S | . | . | trans | -75.3 | 144.4 | -177.8 | -176.8 | 0 | 0 | 0 | 0 | 111.7 | S487 V492 | S487-S490 PolarHBondContact O-N 2.59Å; S490-V492 VanDerWaalsContact CB-O 3.22Å; S490-V492 WeakPolarHBondContact CB-O 3.37Å; S490-V492 PolarHBondContact OG-N 3.4Å; S490-V492 PolarHBondContact OG-O 3.02Å | ||
| 491 | I | 77.8 | Confident | 90.7 | Very high | 79 Ų | 79 | 45.5 Ų | 45.5 | 41% | 0.405 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -85.4 | -24.3 | 174.6 | -55.4 | 175.1 | 0 | 0 | 0 | 110.7 | R47 M52 | R47-I491 VanDerWaalsContact NH2-CG1 3.33Å; M52-I491 HydrophobicContact CE-CG2 3.99Å; M52-I491 WeakPolarHBondContact CE-O 3.28Å |
| 492 | V | 88.1 | Confident | 90.7 | Very high | 21 Ų | 21 | 45.7 Ų | 45.7 | 13% | 0.127 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -103.3 | 164.8 | 170.3 | -64.3 | 0 | 0 | 0 | 0 | 110.1 | 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 4.32Å; E313-V492 HydrophobicContact CG-CG2 4.26Å; L375-V492 CarbonylContact O-C 3.51Å; L375-V492 WeakPolarHBondContact O-CA 3.15Å; L375-V492 WeakPolarHBondContact O-CB 3.3Å; V376-V492 HydrophobicContact CG2-CG1 4.45Å; S490-V492 VanDerWaalsContact CB-O 3.22Å; S490-V492 WeakPolarHBondContact CB-O 3.37Å; S490-V492 PolarHBondContact OG-N 3.4Å; S490-V492 PolarHBondContact OG-O 3.02Å; V492-G494 VanDerWaalsContact C-N 3.32Å; V492-G494 PolarHBondContact O-N 2.92Å |
| 493 | L | 92.1 | Very high | 90.9 | Very high | 8 Ų | 8 | 41.5 Ų | 41.5 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -66.7 | 91 | 173.1 | -171 | 69.9 | 0 | 0 | 0 | 110.3 | H53 Y321 Y373 L375 Y486 | H53-L493 HydrophobicContact CB-CD1 4.47Å; Y321-L493 PolarHBondContact OH-O 3.26Å; Y373-L493 HydrophobicContact CD1-CD2 4.18Å; L375-L493 HydrophobicContact CD2-CB 4.4Å; L375-L493 PolarHBondContact O-N 3.49Å; Y486-L493 HydrophobicContact CD1-CD1 3.57Å; Y486-L493 HydrophobicContact CD1-CG 3.84Å; Y486-L493 HydrophobicContact CD2-CD1 4.12Å; Y486-L493 HydrophobicContact CE1-CD1 3.9Å; Y486-L493 HydrophobicContact CE1-CD2 4.11Å; Y486-L493 HydrophobicContact CE1-CG 3.87Å; Y486-L493 HydrophobicContact CE2-CD1 4.42Å; Y486-L493 HydrophobicContact CG-CD1 3.69Å; Y486-L493 HydrophobicContact CG-CG 4.46Å |
| 494 | G | 89.5 | Confident | 91 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | trans | -114.8 | 147.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y486 S487 V492 | Y486-G494 CarbonylContact C-O 3.47Å; Y486-G494 VanDerWaalsContact CA-O 3.3Å; Y486-G494 WeakPolarHBondContact CA-O 3.2Å; S487-G494 PolarHBondContact N-O 3.03Å; V492-G494 VanDerWaalsContact C-N 3.32Å; V492-G494 PolarHBondContact O-N 2.92Å | ||
| 495 | T | 91.4 | Very high | 90.9 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 6% | 0.055 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -74.3 | 152.1 | 176.1 | 55.8 | 0 | 0 | 0 | 0 | 113.1 | K176 Y321 L484 K485 G497 I499 | K176-T495 WeakPolarHBondContact CD-OG1 3.49Å; K176-T495 PolarHBondContact NZ-OG1 3.05Å; Y321-T495 HydrophobicContact CE1-CG2 3.72Å; L484-T495 HydrophobicContact CD1-CG2 4.23Å; L484-T495 HydrophobicContact CD2-CG2 4.41Å; K485-T495 CarbonylContact O-C 3.52Å; K485-T495 VanDerWaalsContact O-CA 3.26Å; K485-T495 WeakPolarHBondContact O-CA 3.41Å; T495-G497 PolarHBondContact OG1-O 2.79Å; T495-I499 HydrophobicContact CG2-CD1 4.09Å; T495-I499 HydrophobicContact CG2-CG1 4.07Å |
| 496 | V | 87.6 | Confident | 90.6 | Very high | 74 Ų | 74 | 43.1 Ų | 43.1 | 45% | 0.448 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -74.7 | 121.1 | 158.2 | 179.5 | 0 | 0 | 0 | 0 | 106.9 | K485 | K485-V496 HydrophobicContact CB-CB 4.22Å; K485-V496 HydrophobicContact CB-CG2 4.3Å; K485-V496 PolarHBondContact O-N 2.87Å |
| 497 | G | 84.9 | Confident | 90.4 | Very high | 56 Ų | 56 | 42.1 Ų | 42.1 | 58% | 0.577 | 23% | 0.227 | S | C | * | . | S | Bend | trans | 71.5 | -164.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T495 | T495-G497 PolarHBondContact OG1-O 2.79Š|
| 498 | G | 90.4 | Very high | 90.4 | Very high | 12 Ų | 12 | 42.7 Ų | 42.7 | 12% | 0.124 | 23% | 0.228 | C | C | . | . | trans | -92 | 177.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E174 | E174-G498 WeakPolarHBondContact OE1-CA 3.33Š| ||
| 499 | I | 96.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | trans | -108.7 | 113.8 | 167.7 | -60.8 | -178.7 | 0 | 0 | 0 | 106.6 | E174 I175 Y321 Y324 L484 T495 L501 | E174-I499 CarbonylContact C-O 3.57Å; I175-I499 WeakPolarHBondContact CB-O 3.38Å; I175-I499 PolarHBondContact N-O 3.03Å; Y321-I499 HydrophobicContact CD1-CD1 3.88Å; Y321-I499 HydrophobicContact CE1-CD1 3.99Å; Y324-I499 HydrophobicContact CD2-CG2 4.13Å; L484-I499 HydrophobicContact CD1-CD1 3.98Å; L484-I499 HydrophobicContact CD2-CD1 4.39Å; L484-I499 HydrophobicContact CD2-CG1 4.09Å; T495-I499 HydrophobicContact CG2-CD1 4.09Å; T495-I499 HydrophobicContact CG2-CG1 4.07Å; I499-L501 HydrophobicContact CG2-CD1 4.36Å; I499-L501 HydrophobicContact CG2-CD2 4.46Å; I499-L501 HydrophobicContact CG2-CG 4.14Å | ||
| 500 | Y | 97.8 | Very high | 91 | Very high | 95 Ų | 95 | 42.9 Ų | 42.9 | 37% | 0.373 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 125.4 | 179.6 | -64 | -92.3 | 0 | 0 | 0 | 109.6 | V172 L173 E174 T479 T480 | V172-Y500 HydrophobicContact CG1-CD1 4.42Å; L173-Y500 WeakPolarHBondContact O-CA 3.35Å; E174-Y500 HydrophobicContact CB-CD1 3.98Å; E174-Y500 HydrophobicContact CB-CE1 3.62Å; E174-Y500 HydrophobicContact CG-CD1 4.28Å; E174-Y500 HydrophobicContact CG-CE1 3.82Å; E174-Y500 HydrophobicContact CG-CE2 4.28Å; T479-Y500 VanDerWaalsContact OG1-CB 3.26Å; T479-Y500 WeakPolarHBondContact OG1-CB 3.09Å; T480-Y500 WeakPolarHBondContact CB-O 3.5Å; T480-Y500 PolarHBondContact OG1-O 2.91Å |
| 501 | L | 97.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 153.6 | 176.6 | -60.1 | 176.2 | 0 | 0 | 0 | 109.7 | V172 L173 I175 L323 A327 V474 L476 T480 I499 | V172-L501 WeakPolarHBondContact CA-O 3.32Å; L173-L501 PolarHBondContact N-O 2.86Å; L173-L501 PolarHBondContact O-N 2.82Å; L173-L501 VanDerWaalsContact O-N 3.1Å; I175-L501 HydrophobicContact CD1-CB 4.34Å; I175-L501 HydrophobicContact CG1-CB 3.77Å; I175-L501 HydrophobicContact CG1-CD1 3.88Å; I175-L501 HydrophobicContact CG1-CG 3.89Å; L323-L501 HydrophobicContact CB-CD1 4.06Å; L323-L501 WeakPolarHBondContact O-CD1 3.3Å; A327-L501 HydrophobicContact CB-CD1 4.05Å; A327-L501 HydrophobicContact CB-CD2 3.78Å; A327-L501 HydrophobicContact CB-CG 4.5Å; V474-L501 HydrophobicContact CG1-CB 3.61Å; V474-L501 HydrophobicContact CG1-CD1 3.44Å; V474-L501 VanDerWaalsContact CG1-CD1 3.44Å; V474-L501 HydrophobicContact CG1-CG 4.09Å; L476-L501 HydrophobicContact CD2-CD2 4.27Å; T480-L501 HydrophobicContact CG2-CD2 3.83Å; I499-L501 HydrophobicContact CG2-CD1 4.36Å; I499-L501 HydrophobicContact CG2-CD2 4.46Å; I499-L501 HydrophobicContact CG2-CG 4.14Å |
| 502 | R | 97.2 | Very high | 92.5 | Very high | 63 Ų | 63 | 42.1 Ų | 42.1 | 24% | 0.238 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 133.7 | 168.5 | -177.4 | 174.2 | -58.6 | -77.2 | -2.1 | 108.9 | N169 A171 V474 S475 C477 E504 | N169-R502 WeakPolarHBondContact O-CD 3.3Å; N169-R502 PolarHBondContact O-NH1 3.47Å; A171-R502 WeakPolarHBondContact O-CA 3.35Å; V474-R502 CarbonylContact C-O 3.57Å; V474-R502 VanDerWaalsContact CA-O 3.31Å; V474-R502 WeakPolarHBondContact CA-O 3.26Å; S475-R502 PolarHBondContact N-O 3.03Å; S475-R502 PolarHBondContact O-N 2.87Å; C477-R502 HydrophobicContact CB-CB 4.2Å; R502-E504 WeakPolarHBondContact CD-OE1 3.46Å; R502-E504 HydrophobicContact CG-CG 4.19Å |
| 503 | V | 97.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.024 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 124.5 | 178.6 | -174.2 | 0 | 0 | 0 | 0 | 108.3 | I160 V164 G170 A171 L173 I175 F472 R473 V474 | I160-V503 HydrophobicContact CG2-CG1 4.4Å; V164-V503 WeakPolarHBondContact CG1-O 3.26Å; V164-V503 HydrophobicContact CG2-CB 4.02Å; V164-V503 HydrophobicContact CG2-CG1 3.9Å; G170-V503 CarbonylContact C-O 3.03Å; G170-V503 VanDerWaalsContact CA-O 3.29Å; G170-V503 WeakPolarHBondContact CA-O 3.28Å; A171-V503 PolarHBondContact N-O 2.8Å; A171-V503 PolarHBondContact O-N 3.08Å; L173-V503 HydrophobicContact CB-CG2 4.35Å; L173-V503 HydrophobicContact CD1-CB 4.19Å; L173-V503 HydrophobicContact CD1-CG2 3.95Å; L173-V503 HydrophobicContact CG-CB 4.49Å; L173-V503 HydrophobicContact CG-CG2 4.18Å; I175-V503 HydrophobicContact CD1-CG2 3.9Å; F472-V503 HydrophobicContact CB-CG1 3.7Å; F472-V503 HydrophobicContact CD1-CG1 3.74Å; F472-V503 HydrophobicContact CG-CG1 3.86Å; R473-V503 WeakPolarHBondContact O-CA 3.39Å; V474-V503 HydrophobicContact CG2-CG2 4.45Å |
| 504 | E | 95.6 | Very high | 92.9 | Very high | 52 Ų | 52 | 46.3 Ų | 46.3 | 24% | 0.243 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 136.6 | -177 | -69.4 | 173.5 | 169.2 | 0 | 0 | 109.7 | N169 F472 R473 R502 | N169-E504 WeakPolarHBondContact CA-OE1 3.09Å; F472-E504 CarbonylContact C-O 3.53Å; F472-E504 WeakPolarHBondContact CA-O 3.42Å; F472-E504 WeakPolarHBondContact CB-O 3.17Å; R473-E504 PolarHBondContact N-O 3.47Å; R473-E504 PolarHBondContact O-N 2.99Å; R502-E504 WeakPolarHBondContact CD-OE1 3.46Å; R502-E504 HydrophobicContact CG-CG 4.19Å |
| 505 | R | 92.8 | Very high | 93.2 | Very high | 105 Ų | 105 | 49.9 Ų | 49.9 | 40% | 0.396 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 139.9 | 171.5 | -63.2 | -173.8 | -167.9 | -176.1 | 11.5 | 109.3 | T161 V164 F472 | T161-R505 PolarHBondContact O-NH2 3.05Å; V164-R505 HydrophobicContact CG1-CG 3.97Å; V164-R505 PolarHBondContact O-NE 3.49Å; V164-R505 PolarHBondContact O-NH2 3.17Å; F472-R505 HydrophobicContact CD1-CG 4.03Å; F472-R505 HydrophobicContact CE1-CG 3.74Å |
| 506 | I | 88.3 | Confident | 93.4 | Very high | 127 Ų | 127 | 53.6 Ų | 53.6 | 65% | 0.651 | 28% | 0.28 | S | S | * | . | trans | -106.7 | 0 | 174.2 | 51.8 | 167.8 | 0 | 0 | 0 | 111.9 | R471 R473 | R471-I506 VanDerWaalsContact C-CG1 3.41Å; R471-I506 VanDerWaalsContact O-CG1 3.3Å; R471-I506 WeakPolarHBondContact O-CG1 3.35Å; R471-I506 PolarHBondContact O-N 3.49Å; R473-I506 HydrophobicContact CB-CG2 3.96Å |
Retrieved 506 of 506 residues in 656.5 ms
(Link to these results)