| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 55.9 | Low | 76.7 | Confident | 194 Ų | 194 | 100.5 Ų | 100.5 | 96% | 0.956 | 51% | 0.51 | S | S | * | . | 0 | -57.4 | 0 | -154.4 | 170 | -169.1 | 0 | 0 | 112.6 | H3 F4 L5 | M1-H3 PolarHBondContact O-N 3.25Å; M1-F4 WeakPolarHBondContact O-CB 3.42Å; M1-F4 PolarHBondContact O-N 3.29Å; M1-F4 VanDerWaalsContact O-N 3.08Å; M1-L5 HydrophobicContact CG-CD1 4.47Å; M1-L5 PolarHBondContact O-N 3.08Å | |||
| 2 | L | 66.4 | Low | 77.2 | Confident | 132 Ų | 132 | 97.9 Ų | 97.9 | 69% | 0.691 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -53.3 | -45.2 | 178.2 | -90.1 | 149.1 | 0 | 0 | 0 | 114.9 | F4 L5 R6 | L2-F4 VanDerWaalsContact C-N 3.33Å; L2-F4 PolarHBondContact O-N 3.26Å; L2-L5 PolarHBondContact O-N 2.8Å; L2-R6 WeakPolarHBondContact O-CG 3.34Å; L2-R6 PolarHBondContact O-N 3.49Å |
| 3 | H | 73.2 | Confident | 77.2 | Confident | 158 Ų | 158 | 102.7 Ų | 102.7 | 73% | 0.731 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64 | -36 | 176.3 | -74.9 | -77.9 | 0 | 0 | 0 | 113.3 | M1 R6 G7 | M1-H3 PolarHBondContact O-N 3.25Å; H3-R6 PolarHBondContact O-N 3.44Å; H3-G7 PolarHBondContact O-N 3.07Å |
| 4 | F | 75.2 | Confident | 77.6 | Confident | 113 Ų | 113 | 103.1 Ų | 103.1 | 50% | 0.496 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.2 | -44.7 | 179 | -179.6 | -100.6 | 0 | 0 | 0 | 111.3 | M1 L2 R6 G7 I8 L38 | M1-F4 WeakPolarHBondContact O-CB 3.42Å; M1-F4 PolarHBondContact O-N 3.29Å; M1-F4 VanDerWaalsContact O-N 3.08Å; L2-F4 VanDerWaalsContact C-N 3.33Å; L2-F4 PolarHBondContact O-N 3.26Å; F4-R6 VanDerWaalsContact C-N 3.34Å; F4-R6 PolarHBondContact O-N 2.9Å; F4-G7 PolarHBondContact O-N 2.9Å; F4-G7 VanDerWaalsContact O-N 3.14Å; F4-I8 HydrophobicContact CD1-CD1 3.72Å; F4-I8 HydrophobicContact CE1-CD1 3.21Å; F4-I8 HydrophobicContact CE1-CG1 4.28Å; F4-I8 HydrophobicContact CE2-CD1 4.39Å; F4-I8 HydrophobicContact CZ-CD1 3.61Å; F4-I8 HydrophobicContact CZ-CG1 4.4Å; F4-I8 PolarHBondContact O-N 3.49Å; F4-L38 HydrophobicContact CE1-CB 4.23Å; F4-L38 HydrophobicContact CE1-CD1 4.48Å; F4-L38 HydrophobicContact CE1-CD2 3.97Å; F4-L38 HydrophobicContact CE1-CG 4.45Å; F4-L38 HydrophobicContact CZ-CD1 4.13Å; F4-L38 HydrophobicContact CZ-CD2 4.1Å |
| 5 | L | 73.8 | Confident | 77.8 | Confident | 55 Ų | 55 | 102.3 Ų | 102.3 | 29% | 0.288 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 173.6 | -70.8 | 172 | 0 | 0 | 0 | 112.4 | M1 L2 G7 I8 N9 L38 | M1-L5 HydrophobicContact CG-CD1 4.47Å; M1-L5 PolarHBondContact O-N 3.08Å; L2-L5 PolarHBondContact O-N 2.8Å; L5-G7 VanDerWaalsContact C-N 3.3Å; L5-G7 PolarHBondContact O-N 3.07Å; L5-I8 PolarHBondContact O-N 2.91Å; L5-N9 WeakPolarHBondContact O-CB 3.23Å; L5-N9 PolarHBondContact O-N 3.46Å; L5-N9 VanDerWaalsContact O-N 3.15Å; L5-N9 PolarHBondContact O-ND2 3.29Å; L5-L38 WeakPolarHBondContact CD2-O 3.42Å |
| 6 | R | 76 | Confident | 78.5 | Confident | 183 Ų | 183 | 96.1 Ų | 96.1 | 69% | 0.691 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.1 | -38.6 | 172.2 | -79.7 | -175.2 | 179.7 | -176 | 0.6 | 112.2 | L2 H3 F4 A10 | L2-R6 WeakPolarHBondContact O-CG 3.34Å; L2-R6 PolarHBondContact O-N 3.49Å; H3-R6 PolarHBondContact O-N 3.44Å; F4-R6 VanDerWaalsContact C-N 3.34Å; F4-R6 PolarHBondContact O-N 2.9Å; R6-A10 PolarHBondContact O-N 2.87Å; R6-A10 VanDerWaalsContact O-N 3.15Å |
| 7 | G | 80.9 | Confident | 79.2 | Confident | 50 Ų | 50 | 90.5 Ų | 90.5 | 52% | 0.515 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68 | -46.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | H3 F4 L5 N9 A10 | H3-G7 PolarHBondContact O-N 3.07Å; F4-G7 PolarHBondContact O-N 2.9Å; F4-G7 VanDerWaalsContact O-N 3.14Å; L5-G7 VanDerWaalsContact C-N 3.3Å; L5-G7 PolarHBondContact O-N 3.07Å; G7-N9 PolarHBondContact O-N 3.3Å; G7-A10 WeakPolarHBondContact O-CB 3.48Å; G7-A10 PolarHBondContact O-N 3.03Å |
| 8 | I | 84 | Confident | 79.9 | Confident | 18 Ų | 18 | 85.5 Ų | 85.5 | 9% | 0.092 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -60.1 | -37.7 | 178.2 | -71.5 | 174 | 0 | 0 | 0 | 111.7 | F4 L5 L35 L38 A40 | F4-I8 HydrophobicContact CD1-CD1 3.72Å; F4-I8 HydrophobicContact CE1-CD1 3.21Å; F4-I8 HydrophobicContact CE1-CG1 4.28Å; F4-I8 HydrophobicContact CE2-CD1 4.39Å; F4-I8 HydrophobicContact CZ-CD1 3.61Å; F4-I8 HydrophobicContact CZ-CG1 4.4Å; F4-I8 PolarHBondContact O-N 3.49Å; L5-I8 PolarHBondContact O-N 2.91Å; I8-L35 HydrophobicContact CG2-CD2 4.3Å; I8-L38 HydrophobicContact CD1-CB 3.71Å; I8-L38 HydrophobicContact CD1-CD1 4.36Å; I8-A40 HydrophobicContact CG2-CB 3.61Å |
| 9 | N | 86.4 | Confident | 80.5 | Confident | 43 Ų | 43 | 82.9 Ų | 82.9 | 23% | 0.23 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 10.8 | -177.3 | -63.6 | -34.1 | 0 | 0 | 0 | 113.5 | L5 G7 H11 A40 N41 | L5-N9 WeakPolarHBondContact O-CB 3.23Å; L5-N9 PolarHBondContact O-N 3.46Å; L5-N9 VanDerWaalsContact O-N 3.15Å; L5-N9 PolarHBondContact O-ND2 3.29Å; G7-N9 PolarHBondContact O-N 3.3Å; N9-H11 PolarHBondContact O-N 3.37Å; N9-A40 WeakPolarHBondContact OD1-CA 3.36Å; N9-N41 HydrophobicContact CB-CB 4.45Å; N9-N41 WeakPolarHBondContact OD1-CB 3.09Å; N9-N41 PolarHBondContact OD1-N 3.24Å |
| 10 | A | 85.8 | Confident | 81 | Confident | 49 Ų | 49 | 79 Ų | 79 | 41% | 0.405 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 133.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | R6 G7 | R6-A10 PolarHBondContact O-N 2.87Å; R6-A10 VanDerWaalsContact O-N 3.15Å; G7-A10 WeakPolarHBondContact O-CB 3.48Å; G7-A10 PolarHBondContact O-N 3.03Å |
| 11 | H | 85.7 | Confident | 81.6 | Confident | 111 Ų | 111 | 75.2 Ų | 75.2 | 51% | 0.514 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 124.4 | 171 | -66.4 | -78 | 0 | 0 | 0 | 109.3 | N9 G16 A17 V45 | N9-H11 PolarHBondContact O-N 3.37Å; H11-G16 PolarHBondContact ND1-O 3.1Å; H11-A17 CarbonylContact C-O 3.59Å; H11-V45 PolarHBondContact CE1-O 2.93Å; H11-V45 VanDerWaalsContact CE1-O 3.26Å |
| 12 | V | 83.5 | Confident | 83.3 | Confident | 69 Ų | 69 | 69.3 Ų | 69.3 | 42% | 0.418 | 37% | 0.368 | S | S | . | . | B | Isolated β-bridge | trans | -89 | 129.4 | 177.4 | -173.7 | 0 | 0 | 0 | 0 | 108.7 | G16 A17 L22 | V12-G16 WeakPolarHBondContact O-CA 3.42Å; V12-G16 PolarHBondContact O-N 3.25Å; V12-A17 WeakPolarHBondContact CB-O 3.15Å; V12-A17 PolarHBondContact N-O 3.48Å; V12-A17 PolarHBondContact O-N 2.93Å; V12-L22 HydrophobicContact CB-CD1 4.38Å; V12-L22 HydrophobicContact CG2-CD1 4.06Å |
| 13 | M | 77.3 | Confident | 84.5 | Confident | 160 Ų | 160 | 63.4 Ų | 63.4 | 79% | 0.788 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | 147.7 | 175 | -67.7 | -78.6 | -77.7 | 0 | 0 | 110.3 | ||
| 14 | P | 81.7 | Confident | 85.4 | Confident | 108 Ų | 108 | 56.3 Ų | 56.3 | 70% | 0.701 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -91.8 | -13 | 7.2 | 34.9 | -34.6 | 0 | 0 | 0 | 114.7 | N47 | P14-N47 PolarHBondContact O-ND2 3.32Š|
| 15 | E | 81.6 | Confident | 86.2 | Confident | 92 Ų | 92 | 54 Ų | 54 | 43% | 0.43 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -16.8 | -168.6 | -56.6 | -170.6 | -175.4 | 0 | 0 | 113.7 | A17 N47 | E15-A17 VanDerWaalsContact C-N 3.26Å; E15-A17 HydrophobicContact CB-CB 4.46Å; E15-N47 WeakPolarHBondContact O-CB 3.37Å; E15-N47 VanDerWaalsContact O-CG 3.27Å; E15-N47 PolarHBondContact O-N 3.1Å; E15-N47 PolarHBondContact O-ND2 3.41Å |
| 16 | G | 88 | Confident | 87.1 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 15.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | H11 V12 N47 | H11-G16 PolarHBondContact ND1-O 3.1Å; V12-G16 WeakPolarHBondContact O-CA 3.42Å; V12-G16 PolarHBondContact O-N 3.25Å; G16-N47 PolarHBondContact N-ND2 2.93Å |
| 17 | A | 90.6 | Very high | 87.8 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.008 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -70.3 | 149.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | H11 V12 E15 H21 L22 | H11-A17 CarbonylContact C-O 3.59Å; V12-A17 WeakPolarHBondContact CB-O 3.15Å; V12-A17 PolarHBondContact N-O 3.48Å; V12-A17 PolarHBondContact O-N 2.93Å; E15-A17 VanDerWaalsContact C-N 3.26Å; E15-A17 HydrophobicContact CB-CB 4.46Å; A17-H21 HydrophobicContact CB-CB 3.92Å; A17-L22 HydrophobicContact CB-CD2 4.09Å; A17-L22 HydrophobicContact CB-CG 4.22Å |
| 18 | T | 92.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | trans | -95 | 169.2 | 172.9 | 62.6 | 0 | 0 | 0 | 0 | 109.8 | L20 H21 L22 A44 | T18-L20 PolarHBondContact O-N 2.79Å; T18-L20 VanDerWaalsContact O-N 3.12Å; T18-L20 PolarHBondContact OG1-N 3.34Å; T18-H21 PolarHBondContact N-ND1 2.92Å; T18-H21 VanDerWaalsContact N-ND1 3.13Å; T18-H21 WeakPolarHBondContact O-CB 3.45Å; T18-H21 PolarHBondContact O-N 3.47Å; T18-H21 PolarHBondContact OG1-N 2.94Å; T18-H21 PolarHBondContact OG1-ND1 3.27Å; T18-L22 PolarHBondContact O-N 3.34Å; T18-L22 VanDerWaalsContact O-N 3.07Å; T18-A44 HydrophobicContact CG2-CB 3.54Å | ||
| 19 | A | 91 | Very high | 88.5 | Confident | 37 Ų | 37 | 52 Ų | 52 | 31% | 0.306 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -53.5 | -33.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A23 L35 | A19-A23 WeakPolarHBondContact O-CB 3.39Å; A19-A23 PolarHBondContact O-N 3.09Å; A19-L35 HydrophobicContact CB-CD1 4.29Å; A19-L35 HydrophobicContact CB-CD2 4.3Å; A19-L35 WeakPolarHBondContact O-CD1 3.34Å |
| 20 | L | 91.1 | Very high | 88.7 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.6 | -42.7 | 176.9 | -173.6 | 60.9 | 0 | 0 | 0 | 112.3 | T18 L22 A23 V24 V32 L35 L36 A40 V52 | T18-L20 PolarHBondContact O-N 2.79Å; T18-L20 VanDerWaalsContact O-N 3.12Å; T18-L20 PolarHBondContact OG1-N 3.34Å; L20-L22 VanDerWaalsContact C-N 3.33Å; L20-L22 PolarHBondContact O-N 2.78Å; L20-A23 PolarHBondContact O-N 3Å; L20-V24 WeakPolarHBondContact O-CG2 3.49Å; L20-V24 PolarHBondContact O-N 2.92Å; L20-V32 HydrophobicContact CD1-CG1 4.18Å; L20-L35 HydrophobicContact CD1-CB 4.12Å; L20-L35 HydrophobicContact CD1-CD1 4.37Å; L20-L36 HydrophobicContact CD1-CD2 4.26Å; L20-L36 HydrophobicContact CD1-CG 4.24Å; L20-L36 HydrophobicContact CD2-CD2 3.89Å; L20-A40 HydrophobicContact CB-CB 4.26Å; L20-A40 HydrophobicContact CD2-CB 4.13Å; L20-V52 HydrophobicContact CD2-CG1 3.64Å; L20-V52 HydrophobicContact CG-CG1 3.78Å |
| 21 | H | 92.5 | Very high | 89 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.2 | -46.1 | 173.5 | -67.7 | 133.9 | 0 | 0 | 0 | 111.6 | A17 T18 V24 Q25 A44 V52 Y55 | A17-H21 HydrophobicContact CB-CB 3.92Å; T18-H21 PolarHBondContact N-ND1 2.92Å; T18-H21 VanDerWaalsContact N-ND1 3.13Å; T18-H21 WeakPolarHBondContact O-CB 3.45Å; T18-H21 PolarHBondContact O-N 3.47Å; T18-H21 PolarHBondContact OG1-N 2.94Å; T18-H21 PolarHBondContact OG1-ND1 3.27Å; H21-V24 PolarHBondContact O-N 2.94Å; H21-Q25 WeakPolarHBondContact O-CB 3.45Å; H21-Q25 PolarHBondContact O-N 3.32Å; H21-A44 PolarHBondContact CE1-O 3.35Å; H21-A44 PolarHBondContact NE2-O 3.09Å; H21-V52 PolarHBondContact NE2-N 2.99Å; H21-Y55 HydrophobicContact CB-CD1 4.18Å; H21-Y55 HydrophobicContact CB-CD2 4.16Å; H21-Y55 HydrophobicContact CB-CE1 4.08Å; H21-Y55 HydrophobicContact CB-CE2 4.04Å; H21-Y55 HydrophobicContact CB-CG 4.23Å; H21-Y55 AromaticContact CD2-CD2 3.6Å; H21-Y55 AromaticContact CD2-CE2 3.88Å; H21-Y55 AromaticContact CG-CE2 3.93Å |
| 22 | L | 91.6 | Very high | 89.2 | Confident | 70 Ų | 70 | 50.3 Ų | 50.3 | 37% | 0.366 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.9 | -37.9 | 179.5 | -63.4 | 176 | 0 | 0 | 0 | 112.3 | V12 A17 T18 L20 Q25 A26 | V12-L22 HydrophobicContact CB-CD1 4.38Å; V12-L22 HydrophobicContact CG2-CD1 4.06Å; A17-L22 HydrophobicContact CB-CD2 4.09Å; A17-L22 HydrophobicContact CB-CG 4.22Å; T18-L22 PolarHBondContact O-N 3.34Å; T18-L22 VanDerWaalsContact O-N 3.07Å; L20-L22 VanDerWaalsContact C-N 3.33Å; L20-L22 PolarHBondContact O-N 2.78Å; L22-Q25 WeakPolarHBondContact O-CB 3.36Å; L22-Q25 PolarHBondContact O-N 2.81Å; L22-A26 WeakPolarHBondContact O-CB 3.43Å; L22-A26 PolarHBondContact O-N 3.03Å |
| 23 | A | 91.8 | Very high | 89.4 | Confident | 8 Ų | 8 | 51.6 Ų | 51.6 | 7% | 0.066 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A19 L20 A26 G27 D28 V31 V32 L35 | A19-A23 WeakPolarHBondContact O-CB 3.39Å; A19-A23 PolarHBondContact O-N 3.09Å; L20-A23 PolarHBondContact O-N 3Å; A23-A26 PolarHBondContact O-N 3.23Å; A23-G27 PolarHBondContact O-N 2.9Å; A23-G27 VanDerWaalsContact O-N 3.09Å; A23-D28 PolarHBondContact O-N 3.44Å; A23-V31 HydrophobicContact CB-CB 4.43Å; A23-V31 HydrophobicContact CB-CG1 3.74Å; A23-V32 HydrophobicContact CB-CG2 3.76Å; A23-L35 HydrophobicContact CB-CD1 3.62Å |
| 24 | V | 92.4 | Very high | 90 | Very high | 8 Ų | 8 | 49.7 Ų | 49.7 | 5% | 0.048 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66 | -39.5 | 174.3 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | L20 H21 A26 G27 V32 A56 N60 L63 | L20-V24 WeakPolarHBondContact O-CG2 3.49Å; L20-V24 PolarHBondContact O-N 2.92Å; H21-V24 PolarHBondContact O-N 2.94Å; V24-A26 VanDerWaalsContact C-N 3.34Å; V24-G27 PolarHBondContact O-N 3Å; V24-V32 HydrophobicContact CG2-CG1 4.47Å; V24-V32 HydrophobicContact CG2-CG2 3.82Å; V24-A56 HydrophobicContact CG1-CB 3.76Å; V24-A56 VanDerWaalsContact CG1-N 3.34Å; V24-N60 PolarHBondContact O-ND2 2.88Å; V24-L63 HydrophobicContact CB-CD1 4.33Å; V24-L63 HydrophobicContact CG1-CD1 4.16Å; V24-L63 HydrophobicContact CG2-CD1 4.47Å |
| 25 | Q | 92.2 | Very high | 90.4 | Very high | 65 Ų | 65 | 45.7 Ų | 45.7 | 30% | 0.304 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 174.6 | -176.4 | 174.1 | -13.1 | 0 | 0 | 112.3 | H21 L22 G27 Y55 Y59 N60 | H21-Q25 WeakPolarHBondContact O-CB 3.45Å; H21-Q25 PolarHBondContact O-N 3.32Å; L22-Q25 WeakPolarHBondContact O-CB 3.36Å; L22-Q25 PolarHBondContact O-N 2.81Å; Q25-G27 VanDerWaalsContact C-N 3.28Å; Q25-G27 PolarHBondContact O-N 3.27Å; Q25-Y55 HydrophobicContact CB-CD1 4.14Å; Q25-Y59 HydrophobicContact CB-CD2 4.06Å; Q25-Y59 HydrophobicContact CB-CE2 4.44Å; Q25-Y59 HydrophobicContact CB-CG 4.34Å; Q25-Y59 HydrophobicContact CG-CD1 4Å; Q25-Y59 HydrophobicContact CG-CD2 3.84Å; Q25-Y59 HydrophobicContact CG-CE1 4.13Å; Q25-Y59 HydrophobicContact CG-CE2 4Å; Q25-Y59 HydrophobicContact CG-CG 3.85Å; Q25-N60 PolarHBondContact O-ND2 3.31Å |
| 26 | A | 92.3 | Very high | 90.6 | Very high | 80 Ų | 80 | 43 Ų | 43 | 66% | 0.661 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -71.4 | -21.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | L22 A23 V24 | L22-A26 WeakPolarHBondContact O-CB 3.43Å; L22-A26 PolarHBondContact O-N 3.03Å; A23-A26 PolarHBondContact O-N 3.23Å; V24-A26 VanDerWaalsContact C-N 3.34Å |
| 27 | G | 91.3 | Very high | 90.5 | Very high | 28 Ų | 28 | 49.1 Ų | 49.1 | 29% | 0.289 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 10.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | A23 V24 Q25 E29 N60 | A23-G27 PolarHBondContact O-N 2.9Å; A23-G27 VanDerWaalsContact O-N 3.09Å; V24-G27 PolarHBondContact O-N 3Å; Q25-G27 VanDerWaalsContact C-N 3.28Å; Q25-G27 PolarHBondContact O-N 3.27Å; G27-E29 PolarHBondContact O-N 3.39Å; G27-N60 VanDerWaalsContact CA-CG 3.41Å; G27-N60 VanDerWaalsContact CA-ND2 3.26Å; G27-N60 WeakPolarHBondContact CA-ND2 3.35Å; G27-N60 PolarHBondContact N-ND2 2.88Å; G27-N60 VanDerWaalsContact N-ND2 3.2Å |
| 28 | D | 89.9 | Confident | 90.4 | Very high | 64 Ų | 64 | 52.1 Ų | 52.1 | 34% | 0.342 | 29% | 0.293 | S | S | . | . | trans | -85.4 | 96.9 | -177 | -170.3 | -26.3 | 0 | 0 | 0 | 111.4 | A23 T30 V31 V32 | A23-D28 PolarHBondContact O-N 3.44Å; D28-T30 PolarHBondContact O-N 2.9Å; D28-T30 WeakPolarHBondContact OD1-CA 3.22Å; D28-T30 WeakPolarHBondContact OD1-CB 3.29Å; D28-T30 PolarHBondContact OD1-N 3.43Å; D28-T30 PolarHBondContact OD1-OG1 2.76Å; D28-V31 HydrophobicContact CB-CB 4.02Å; D28-V31 HydrophobicContact CB-CG2 4.11Å; D28-V31 VanDerWaalsContact CG-CG2 3.41Å; D28-V31 PolarHBondContact O-N 3.08Å; D28-V31 PolarHBondContact OD1-N 3.27Å; D28-V31 WeakPolarHBondContact OD2-CG2 3.32Å; D28-V32 VanDerWaalsContact O-CG2 3.32Å; D28-V32 WeakPolarHBondContact O-CG2 3.37Å; D28-V32 PolarHBondContact O-N 2.87Å | ||
| 29 | E | 89.8 | Confident | 90.1 | Very high | 91 Ų | 91 | 53.9 Ų | 53.9 | 43% | 0.425 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.6 | -34.8 | 177.8 | -175.1 | 176.9 | 158.7 | 0 | 0 | 112.9 | G27 K33 L63 V66 | G27-E29 PolarHBondContact O-N 3.39Å; E29-K33 HydrophobicContact CG-CD 4.17Å; E29-K33 WeakPolarHBondContact O-CB 3.16Å; E29-K33 WeakPolarHBondContact O-CG 3.49Å; E29-K33 PolarHBondContact O-N 3.35Å; E29-K33 WeakPolarHBondContact OE1-CE 3.34Å; E29-K33 IonicContact OE1-NZ 3.13Å; E29-K33 PolarHBondContact OE1-NZ 3.41Å; E29-L63 HydrophobicContact CB-CD2 3.76Å; E29-L63 HydrophobicContact CG-CD2 4.22Å; E29-V66 HydrophobicContact CG-CG2 3.77Å |
| 30 | T | 90.7 | Very high | 89.9 | Confident | 104 Ų | 104 | 52.6 Ų | 52.6 | 64% | 0.638 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -70.8 | -41.7 | -177.5 | 69 | 0 | 0 | 0 | 0 | 111.2 | D28 K34 | D28-T30 PolarHBondContact O-N 2.9Å; D28-T30 WeakPolarHBondContact OD1-CA 3.22Å; D28-T30 WeakPolarHBondContact OD1-CB 3.29Å; D28-T30 PolarHBondContact OD1-N 3.43Å; D28-T30 PolarHBondContact OD1-OG1 2.76Å; T30-K34 WeakPolarHBondContact O-CB 3.32Å; T30-K34 PolarHBondContact O-N 3.33Å |
| 31 | V | 90.5 | Very high | 89.7 | Confident | 58 Ų | 58 | 55.6 Ų | 55.6 | 35% | 0.352 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.1 | -41.7 | 175.5 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | A23 D28 K33 K34 L35 | A23-V31 HydrophobicContact CB-CB 4.43Å; A23-V31 HydrophobicContact CB-CG1 3.74Å; D28-V31 HydrophobicContact CB-CB 4.02Å; D28-V31 HydrophobicContact CB-CG2 4.11Å; D28-V31 VanDerWaalsContact CG-CG2 3.41Å; D28-V31 PolarHBondContact O-N 3.08Å; D28-V31 PolarHBondContact OD1-N 3.27Å; D28-V31 WeakPolarHBondContact OD2-CG2 3.32Å; V31-K33 PolarHBondContact O-N 3.38Å; V31-K34 PolarHBondContact O-N 2.83Å; V31-L35 HydrophobicContact CG1-CD1 3.87Å; V31-L35 HydrophobicContact CG1-CG 4.19Å; V31-L35 WeakPolarHBondContact O-CB 3.46Å; V31-L35 VanDerWaalsContact O-CG 3.31Å; V31-L35 WeakPolarHBondContact O-CG 3.48Å; V31-L35 PolarHBondContact O-N 3.31Å |
| 32 | V | 89.8 | Confident | 89.4 | Confident | 6 Ų | 6 | 56.1 Ų | 56.1 | 4% | 0.036 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.3 | -50.5 | 175.9 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | L20 A23 V24 D28 K34 L35 L36 L63 V66 | L20-V32 HydrophobicContact CD1-CG1 4.18Å; A23-V32 HydrophobicContact CB-CG2 3.76Å; V24-V32 HydrophobicContact CG2-CG1 4.47Å; V24-V32 HydrophobicContact CG2-CG2 3.82Å; D28-V32 VanDerWaalsContact O-CG2 3.32Å; D28-V32 WeakPolarHBondContact O-CG2 3.37Å; D28-V32 PolarHBondContact O-N 2.87Å; V32-K34 VanDerWaalsContact C-N 3.33Å; V32-K34 PolarHBondContact O-N 2.93Å; V32-L35 PolarHBondContact O-N 2.89Å; V32-L36 HydrophobicContact CG1-CD1 4.08Å; V32-L36 VanDerWaalsContact O-CG 3.31Å; V32-L36 WeakPolarHBondContact O-CG 3.43Å; V32-L36 PolarHBondContact O-N 3.3Å; V32-L63 HydrophobicContact CG2-CD1 4.24Å; V32-V66 HydrophobicContact CG1-CG1 4.44Å |
| 33 | K | 89 | Confident | 89.2 | Confident | 96 Ų | 96 | 56.4 Ų | 56.4 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58 | -45.5 | 176.2 | -76.9 | 172.4 | 170.5 | 170.3 | 0 | 111.5 | E29 V31 L35 L36 D37 V66 | E29-K33 HydrophobicContact CG-CD 4.17Å; E29-K33 WeakPolarHBondContact O-CB 3.16Å; E29-K33 WeakPolarHBondContact O-CG 3.49Å; E29-K33 PolarHBondContact O-N 3.35Å; E29-K33 WeakPolarHBondContact OE1-CE 3.34Å; E29-K33 IonicContact OE1-NZ 3.13Å; E29-K33 PolarHBondContact OE1-NZ 3.41Å; V31-K33 PolarHBondContact O-N 3.38Å; K33-L35 PolarHBondContact O-N 3.48Å; K33-L36 PolarHBondContact O-N 2.71Å; K33-D37 VanDerWaalsContact O-CG 3.3Å; K33-D37 PolarHBondContact O-N 2.63Å; K33-V66 HydrophobicContact CG-CG1 3.91Å |
| 34 | K | 89.2 | Confident | 89.1 | Confident | 121 Ų | 121 | 56.4 Ų | 56.4 | 53% | 0.526 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.2 | -39.4 | -179.3 | -169.6 | 61.9 | 178.5 | 178.2 | 0 | 112.8 | T30 V31 V32 D37 L38 | T30-K34 WeakPolarHBondContact O-CB 3.32Å; T30-K34 PolarHBondContact O-N 3.33Å; V31-K34 PolarHBondContact O-N 2.83Å; V32-K34 VanDerWaalsContact C-N 3.33Å; V32-K34 PolarHBondContact O-N 2.93Å; K34-D37 PolarHBondContact O-N 3.43Å; K34-L38 HydrophobicContact CG-CD1 4.15Å; K34-L38 WeakPolarHBondContact O-CB 3.32Å; K34-L38 WeakPolarHBondContact O-CG 3.45Å; K34-L38 PolarHBondContact O-N 2.66Å |
| 35 | L | 89.6 | Confident | 89.1 | Confident | 24 Ų | 24 | 58.3 Ų | 58.3 | 13% | 0.126 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 176.2 | -75.4 | 173.4 | 0 | 0 | 0 | 111.4 | I8 A19 L20 A23 V31 V32 K33 L38 G39 A40 | I8-L35 HydrophobicContact CG2-CD2 4.3Å; A19-L35 HydrophobicContact CB-CD1 4.29Å; A19-L35 HydrophobicContact CB-CD2 4.3Å; A19-L35 WeakPolarHBondContact O-CD1 3.34Å; L20-L35 HydrophobicContact CD1-CB 4.12Å; L20-L35 HydrophobicContact CD1-CD1 4.37Å; A23-L35 HydrophobicContact CB-CD1 3.62Å; V31-L35 HydrophobicContact CG1-CD1 3.87Å; V31-L35 HydrophobicContact CG1-CG 4.19Å; V31-L35 WeakPolarHBondContact O-CB 3.46Å; V31-L35 VanDerWaalsContact O-CG 3.31Å; V31-L35 WeakPolarHBondContact O-CG 3.48Å; V31-L35 PolarHBondContact O-N 3.31Å; V32-L35 PolarHBondContact O-N 2.89Å; K33-L35 PolarHBondContact O-N 3.48Å; L35-L38 PolarHBondContact O-N 3.23Å; L35-G39 PolarHBondContact O-N 3.06Å; L35-A40 HydrophobicContact CB-CB 3.99Å; L35-A40 WeakPolarHBondContact O-CB 3.41Å; L35-A40 PolarHBondContact O-N 3.38Å |
| 36 | L | 86.9 | Confident | 89.1 | Confident | 36 Ų | 36 | 55.7 Ų | 55.7 | 19% | 0.188 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 174.6 | -68.5 | 170.8 | 0 | 0 | 0 | 111.5 | L20 V32 K33 L38 G39 I68 | L20-L36 HydrophobicContact CD1-CD2 4.26Å; L20-L36 HydrophobicContact CD1-CG 4.24Å; L20-L36 HydrophobicContact CD2-CD2 3.89Å; V32-L36 HydrophobicContact CG1-CD1 4.08Å; V32-L36 VanDerWaalsContact O-CG 3.31Å; V32-L36 WeakPolarHBondContact O-CG 3.43Å; V32-L36 PolarHBondContact O-N 3.3Å; K33-L36 PolarHBondContact O-N 2.71Å; L36-L38 PolarHBondContact O-N 3.19Å; L36-G39 PolarHBondContact O-N 2.87Å; L36-I68 HydrophobicContact CD1-CB 4.44Å; L36-I68 HydrophobicContact CD1-CD1 4.06Å; L36-I68 HydrophobicContact CD1-CG1 3.87Å; L36-I68 HydrophobicContact CD1-CG2 3.98Å; L36-I68 HydrophobicContact CD2-CG2 4.03Å |
| 37 | D | 85.8 | Confident | 89.1 | Confident | 129 Ų | 129 | 57.2 Ų | 57.2 | 69% | 0.69 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -59.3 | -33 | 174.7 | -69 | -20.3 | 0 | 0 | 0 | 112.5 | K33 K34 G39 | K33-D37 VanDerWaalsContact O-CG 3.3Å; K33-D37 PolarHBondContact O-N 2.63Å; K34-D37 PolarHBondContact O-N 3.43Å; D37-G39 PolarHBondContact O-N 2.76Å |
| 38 | L | 88.3 | Confident | 89.1 | Confident | 64 Ų | 64 | 57.4 Ų | 57.4 | 34% | 0.335 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 1.2 | 178.4 | -68.4 | 171.1 | 0 | 0 | 0 | 113.6 | F4 L5 I8 K34 L35 L36 | F4-L38 HydrophobicContact CE1-CB 4.23Å; F4-L38 HydrophobicContact CE1-CD1 4.48Å; F4-L38 HydrophobicContact CE1-CD2 3.97Å; F4-L38 HydrophobicContact CE1-CG 4.45Å; F4-L38 HydrophobicContact CZ-CD1 4.13Å; F4-L38 HydrophobicContact CZ-CD2 4.1Å; L5-L38 WeakPolarHBondContact CD2-O 3.42Å; I8-L38 HydrophobicContact CD1-CB 3.71Å; I8-L38 HydrophobicContact CD1-CD1 4.36Å; K34-L38 HydrophobicContact CG-CD1 4.15Å; K34-L38 WeakPolarHBondContact O-CB 3.32Å; K34-L38 WeakPolarHBondContact O-CG 3.45Å; K34-L38 PolarHBondContact O-N 2.66Å; L35-L38 PolarHBondContact O-N 3.23Å; L36-L38 PolarHBondContact O-N 3.19Å |
| 39 | G | 85.5 | Confident | 89.2 | Confident | 39 Ų | 39 | 55.4 Ų | 55.4 | 40% | 0.402 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 28.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L35 L36 D37 N41 | L35-G39 PolarHBondContact O-N 3.06Å; L36-G39 PolarHBondContact O-N 2.87Å; D37-G39 PolarHBondContact O-N 2.76Å; G39-N41 PolarHBondContact O-N 2.81Å |
| 40 | A | 87.8 | Confident | 89.3 | Confident | 10 Ų | 10 | 53.9 Ų | 53.9 | 8% | 0.083 | 30% | 0.296 | C | S | . | . | trans | -56.5 | 134 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | I8 N9 L20 L35 I42 | I8-A40 HydrophobicContact CG2-CB 3.61Å; N9-A40 WeakPolarHBondContact OD1-CA 3.36Å; L20-A40 HydrophobicContact CB-CB 4.26Å; L20-A40 HydrophobicContact CD2-CB 4.13Å; L35-A40 HydrophobicContact CB-CB 3.99Å; L35-A40 WeakPolarHBondContact O-CB 3.41Å; L35-A40 PolarHBondContact O-N 3.38Å; A40-I42 PolarHBondContact O-N 2.9Å | ||
| 41 | N | 87 | Confident | 89.4 | Confident | 67 Ų | 67 | 49 Ų | 49 | 36% | 0.358 | 27% | 0.266 | S | S | . | . | trans | -72.2 | 101.3 | -179.5 | -179.5 | 12.6 | 0 | 0 | 0 | 109.6 | N9 G39 Q43 A44 | N9-N41 HydrophobicContact CB-CB 4.45Å; N9-N41 WeakPolarHBondContact OD1-CB 3.09Å; N9-N41 PolarHBondContact OD1-N 3.24Å; G39-N41 PolarHBondContact O-N 2.81Å; N41-Q43 PolarHBondContact O-N 2.93Å; N41-Q43 WeakPolarHBondContact OD1-CB 3.49Å; N41-Q43 PolarHBondContact OD1-N 3.35Å; N41-A44 HydrophobicContact CB-CB 4.4Å; N41-A44 WeakPolarHBondContact O-CB 3.41Å; N41-A44 PolarHBondContact O-N 3.13Å | ||
| 42 | I | 86.1 | Confident | 89.4 | Confident | 11 Ų | 11 | 46.6 Ų | 46.6 | 6% | 0.056 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -28.1 | 176 | -166.5 | 179 | 0 | 0 | 0 | 113.3 | A40 A44 V52 I68 V70 L75 L78 | A40-I42 PolarHBondContact O-N 2.9Å; I42-A44 PolarHBondContact O-N 3.3Å; I42-V52 HydrophobicContact CD1-CG2 4.47Å; I42-V52 HydrophobicContact CG1-CG2 3.81Å; I42-I68 HydrophobicContact CD1-CB 4.23Å; I42-I68 HydrophobicContact CD1-CD1 3.36Å; I42-I68 HydrophobicContact CD1-CG1 4.34Å; I42-I68 HydrophobicContact CD1-CG2 3.64Å; I42-I68 HydrophobicContact CG1-CD1 4.34Å; I42-V70 HydrophobicContact CD1-CG2 4.42Å; I42-V70 HydrophobicContact CG2-CG1 4.35Å; I42-V70 HydrophobicContact CG2-CG2 4.37Å; I42-L75 HydrophobicContact CD1-CD2 4.39Å; I42-L78 HydrophobicContact CB-CD1 4.37Å; I42-L78 HydrophobicContact CD1-CD1 3.76Å; I42-L78 HydrophobicContact CG1-CD1 3.61Å; I42-L78 HydrophobicContact CG2-CD1 4.13Å |
| 43 | Q | 87 | Confident | 89.4 | Confident | 75 Ų | 75 | 47 Ų | 47 | 35% | 0.35 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -0.9 | -178.5 | -55.7 | -171.5 | -76.6 | 0 | 0 | 113.4 | N41 | N41-Q43 PolarHBondContact O-N 2.93Å; N41-Q43 WeakPolarHBondContact OD1-CB 3.49Å; N41-Q43 PolarHBondContact OD1-N 3.35Å |
| 44 | A | 89.4 | Confident | 89.5 | Confident | 8 Ų | 8 | 42.4 Ų | 42.4 | 7% | 0.066 | 23% | 0.232 | C | C | . | . | trans | -60.2 | 144.8 | 177 | 0 | 0 | 0 | 0 | 0 | 110.4 | T18 H21 N41 I42 | T18-A44 HydrophobicContact CG2-CB 3.54Å; H21-A44 PolarHBondContact CE1-O 3.35Å; H21-A44 PolarHBondContact NE2-O 3.09Å; N41-A44 HydrophobicContact CB-CB 4.4Å; N41-A44 WeakPolarHBondContact O-CB 3.41Å; N41-A44 PolarHBondContact O-N 3.13Å; I42-A44 PolarHBondContact O-N 3.3Å | ||
| 45 | V | 92.5 | Very high | 89.6 | Confident | 49 Ų | 49 | 36.6 Ų | 36.6 | 30% | 0.297 | 21% | 0.207 | S | C | . | . | trans | -123 | 151.5 | 173.8 | -66.4 | 0 | 0 | 0 | 0 | 109.8 | H11 R50 N51 M81 | H11-V45 PolarHBondContact CE1-O 2.93Å; H11-V45 VanDerWaalsContact CE1-O 3.26Å; V45-R50 CarbonylContact C-O 3.6Å; V45-R50 VanDerWaalsContact CA-O 3.26Å; V45-R50 WeakPolarHBondContact CA-O 3.49Å; V45-N51 HydrophobicContact CG1-CB 4.23Å; V45-M81 HydrophobicContact CG1-SD 3.55Å; V45-M81 VanDerWaalsContact CG1-SD 3.55Å | ||
| 46 | D | 92.5 | Very high | 89.7 | Confident | 10 Ų | 10 | 35.7 Ų | 35.7 | 5% | 0.053 | 20% | 0.203 | C | C | . | . | trans | -77.3 | -175.9 | 171.4 | 76.7 | -1.8 | 0 | 0 | 0 | 112 | V48 G49 R50 Y55 | D46-V48 PolarHBondContact O-N 3.27Å; D46-V48 VanDerWaalsContact O-N 3.11Å; D46-V48 VanDerWaalsContact OD1-C 3.25Å; D46-V48 VanDerWaalsContact OD1-CA 3.3Å; D46-V48 WeakPolarHBondContact OD1-CA 3.37Å; D46-V48 WeakPolarHBondContact OD1-CB 3.12Å; D46-V48 PolarHBondContact OD1-N 3.37Å; D46-G49 PolarHBondContact O-N 2.82Å; D46-G49 PolarHBondContact OD1-N 2.93Å; D46-R50 PolarHBondContact N-O 2.96Å; D46-R50 WeakPolarHBondContact OD1-CB 3.42Å; D46-R50 PolarHBondContact OD1-N 3.42Å; D46-R50 WeakPolarHBondContact OD2-CB 3.42Å; D46-Y55 HydrophobicContact CB-CE2 4.3Å; D46-Y55 PolarHBondContact OD2-OH 2.76Å | ||
| 47 | N | 92.2 | Very high | 89.9 | Confident | 111 Ų | 111 | 34 Ų | 34 | 59% | 0.594 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -14.9 | 179.4 | -69.7 | -17.1 | 0 | 0 | 0 | 113.8 | P14 E15 G16 | P14-N47 PolarHBondContact O-ND2 3.32Å; E15-N47 WeakPolarHBondContact O-CB 3.37Å; E15-N47 VanDerWaalsContact O-CG 3.27Å; E15-N47 PolarHBondContact O-N 3.1Å; E15-N47 PolarHBondContact O-ND2 3.41Å; G16-N47 PolarHBondContact N-ND2 2.93Å |
| 48 | V | 90.7 | Very high | 90.2 | Very high | 33 Ų | 33 | 29.6 Ų | 29.6 | 20% | 0.2 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | 6.5 | -179.5 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | D46 R50 D83 E84 | D46-V48 PolarHBondContact O-N 3.27Å; D46-V48 VanDerWaalsContact O-N 3.11Å; D46-V48 VanDerWaalsContact OD1-C 3.25Å; D46-V48 VanDerWaalsContact OD1-CA 3.3Å; D46-V48 WeakPolarHBondContact OD1-CA 3.37Å; D46-V48 WeakPolarHBondContact OD1-CB 3.12Å; D46-V48 PolarHBondContact OD1-N 3.37Å; V48-R50 VanDerWaalsContact C-N 3.31Å; V48-R50 HydrophobicContact CB-CG 4.39Å; V48-R50 HydrophobicContact CG1-CG 4.16Å; V48-R50 PolarHBondContact O-N 2.74Å; V48-D83 CarbonylContact O-C 3.53Å; V48-D83 WeakPolarHBondContact O-CA 3.49Å; V48-E84 HydrophobicContact CG1-CB 4.03Å; V48-E84 HydrophobicContact CG1-CG 3.56Å; V48-E84 VanDerWaalsContact CG1-OE1 3.28Å; V48-E84 WeakPolarHBondContact CG1-OE1 3.47Å; V48-E84 PolarHBondContact O-N 3.27Å |
| 49 | G | 92 | Very high | 90.4 | Very high | 22 Ų | 22 | 30.9 Ų | 30.9 | 23% | 0.227 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 77.2 | 12.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D46 | D46-G49 PolarHBondContact O-N 2.82Å; D46-G49 PolarHBondContact OD1-N 2.93Å |
| 50 | R | 93.5 | Very high | 90.6 | Very high | 59 Ų | 59 | 31.4 Ų | 31.4 | 22% | 0.223 | 17% | 0.165 | C | C | . | . | trans | -83.4 | 131 | 179.6 | -60.7 | 176.3 | -178.9 | 150.7 | 8.2 | 110.7 | V45 D46 V48 H54 Y55 D83 | V45-R50 CarbonylContact C-O 3.6Å; V45-R50 VanDerWaalsContact CA-O 3.26Å; V45-R50 WeakPolarHBondContact CA-O 3.49Å; D46-R50 PolarHBondContact N-O 2.96Å; D46-R50 WeakPolarHBondContact OD1-CB 3.42Å; D46-R50 PolarHBondContact OD1-N 3.42Å; D46-R50 WeakPolarHBondContact OD2-CB 3.42Å; V48-R50 VanDerWaalsContact C-N 3.31Å; V48-R50 HydrophobicContact CB-CG 4.39Å; V48-R50 HydrophobicContact CG1-CG 4.16Å; V48-R50 PolarHBondContact O-N 2.74Å; R50-H54 HydrophobicContact CB-CB 3.74Å; R50-H54 HydrophobicContact CG-CB 4.1Å; R50-Y55 HydrophobicContact CB-CD2 4.33Å; R50-Y55 HydrophobicContact CB-CE2 4.08Å; R50-D83 HydrophobicContact CG-CB 3.85Å; R50-D83 IonicContact NE-OD2 3.97Å | ||
| 51 | N | 91.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -97.9 | -178 | 173.3 | 63.5 | 37.4 | 0 | 0 | 0 | 112.5 | V45 Y53 H54 Y55 L78 | V45-N51 HydrophobicContact CG1-CB 4.23Å; N51-Y53 PolarHBondContact O-N 3.11Å; N51-Y53 VanDerWaalsContact O-N 3.15Å; N51-Y53 PolarHBondContact OD1-N 2.76Å; N51-H54 VanDerWaalsContact CG-ND1 3.28Å; N51-H54 PolarHBondContact N-ND1 2.9Å; N51-H54 WeakPolarHBondContact O-CB 3.34Å; N51-H54 PolarHBondContact O-N 3.28Å; N51-H54 PolarHBondContact OD1-N 3.1Å; N51-H54 PolarHBondContact OD1-ND1 3.01Å; N51-Y55 PolarHBondContact O-N 2.84Å; N51-L78 HydrophobicContact CB-CD2 3.69Å; N51-L78 PolarHBondContact ND2-O 2.84Å | ||
| 52 | V | 90.6 | Very high | 90.6 | Very high | 9 Ų | 9 | 34.4 Ų | 34.4 | 6% | 0.055 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -53.4 | -34.3 | 179 | -62.6 | 0 | 0 | 0 | 0 | 114.6 | L20 H21 I42 Y55 A56 | L20-V52 HydrophobicContact CD2-CG1 3.64Å; L20-V52 HydrophobicContact CG-CG1 3.78Å; H21-V52 PolarHBondContact NE2-N 2.99Å; I42-V52 HydrophobicContact CD1-CG2 4.47Å; I42-V52 HydrophobicContact CG1-CG2 3.81Å; V52-Y55 PolarHBondContact O-N 3.17Å; V52-A56 WeakPolarHBondContact O-CB 3.2Å; V52-A56 PolarHBondContact O-N 3.43Å |
| 53 | Y | 89.7 | Confident | 90.7 | Very high | 13 Ų | 13 | 34.7 Ų | 34.7 | 5% | 0.051 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -73.9 | -34.1 | 178.1 | -73 | -50.3 | 0 | 0 | 0 | 112.2 | N51 Y55 A56 V57 I64 L78 L105 | N51-Y53 PolarHBondContact O-N 3.11Å; N51-Y53 VanDerWaalsContact O-N 3.15Å; N51-Y53 PolarHBondContact OD1-N 2.76Å; Y53-Y55 VanDerWaalsContact C-N 3.35Å; Y53-A56 PolarHBondContact O-N 3.22Å; Y53-V57 WeakPolarHBondContact O-CB 3.49Å; Y53-V57 WeakPolarHBondContact O-CG2 3.39Å; Y53-V57 PolarHBondContact O-N 2.84Å; Y53-I64 HydrophobicContact CD1-CG2 4.37Å; Y53-I64 HydrophobicContact CE1-CG2 4.25Å; Y53-L78 HydrophobicContact CD2-CB 3.8Å; Y53-L78 HydrophobicContact CE2-CB 3.89Å; Y53-L105 HydrophobicContact CD1-CD2 4.13Å; Y53-L105 HydrophobicContact CG-CD2 4.31Å |
| 54 | H | 91.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.8 | -47.1 | 171.5 | -66.8 | 88.3 | 0 | 0 | 0 | 110.7 | R50 N51 A56 V57 M58 M81 L87 P89 L92 | R50-H54 HydrophobicContact CB-CB 3.74Å; R50-H54 HydrophobicContact CG-CB 4.1Å; N51-H54 VanDerWaalsContact CG-ND1 3.28Å; N51-H54 PolarHBondContact N-ND1 2.9Å; N51-H54 WeakPolarHBondContact O-CB 3.34Å; N51-H54 PolarHBondContact O-N 3.28Å; N51-H54 PolarHBondContact OD1-N 3.1Å; N51-H54 PolarHBondContact OD1-ND1 3.01Å; H54-A56 PolarHBondContact O-N 2.98Å; H54-V57 PolarHBondContact O-N 3.35Å; H54-M58 VanDerWaalsContact O-CB 3.31Å; H54-M58 WeakPolarHBondContact O-CB 3.33Å; H54-M58 WeakPolarHBondContact O-CG 3.38Å; H54-M58 PolarHBondContact O-N 3Å; H54-M81 PolarHBondContact CE1-O 3.04Å; H54-L87 PolarHBondContact NE2-O 3.07Å; H54-P89 VanDerWaalsContact CE1-CD 3.41Å; H54-P89 WeakPolarHBondContact CE1-CD 3.37Å; H54-P89 WeakPolarHBondContact NE2-CD 3.41Å; H54-L92 HydrophobicContact CB-CD2 4.44Å |
| 55 | Y | 91.7 | Very high | 90 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.4 | -43.9 | 175.9 | -85.4 | -99.4 | 0 | 0 | 0 | 111.8 | H21 Q25 D46 R50 N51 V52 Y53 V57 M58 Y59 | H21-Y55 HydrophobicContact CB-CD1 4.18Å; H21-Y55 HydrophobicContact CB-CD2 4.16Å; H21-Y55 HydrophobicContact CB-CE1 4.08Å; H21-Y55 HydrophobicContact CB-CE2 4.04Å; H21-Y55 HydrophobicContact CB-CG 4.23Å; H21-Y55 AromaticContact CD2-CD2 3.6Å; H21-Y55 AromaticContact CD2-CE2 3.88Å; H21-Y55 AromaticContact CG-CE2 3.93Å; Q25-Y55 HydrophobicContact CB-CD1 4.14Å; D46-Y55 HydrophobicContact CB-CE2 4.3Å; D46-Y55 PolarHBondContact OD2-OH 2.76Å; R50-Y55 HydrophobicContact CB-CD2 4.33Å; R50-Y55 HydrophobicContact CB-CE2 4.08Å; N51-Y55 PolarHBondContact O-N 2.84Å; V52-Y55 PolarHBondContact O-N 3.17Å; Y53-Y55 VanDerWaalsContact C-N 3.35Å; Y55-V57 PolarHBondContact O-N 2.98Å; Y55-M58 PolarHBondContact O-N 3.38Å; Y55-M58 VanDerWaalsContact O-N 3.14Å; Y55-Y59 AromaticContact CD1-CD2 3.83Å; Y55-Y59 HydrophobicContact CD1-CD2 3.83Å; Y55-Y59 AromaticContact CD1-CE2 3.56Å; Y55-Y59 HydrophobicContact CD1-CE2 3.56Å; Y55-Y59 AromaticContact CE1-CE2 3.92Å; Y55-Y59 HydrophobicContact CE1-CE2 3.92Å; Y55-Y59 HydrophobicContact CG-CD2 4.45Å; Y55-Y59 HydrophobicContact CG-CE2 4.32Å; Y55-Y59 VanDerWaalsContact O-CD2 3.28Å; Y55-Y59 WeakPolarHBondContact O-CD2 3.35Å; Y55-Y59 PolarHBondContact O-N 3.18Å |
| 56 | A | 91.6 | Very high | 89.3 | Confident | 4 Ų | 4 | 34.3 Ų | 34.3 | 3% | 0.033 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V24 V52 Y53 H54 M58 N60 P61 I64 | V24-A56 HydrophobicContact CG1-CB 3.76Å; V24-A56 VanDerWaalsContact CG1-N 3.34Å; V52-A56 WeakPolarHBondContact O-CB 3.2Å; V52-A56 PolarHBondContact O-N 3.43Å; Y53-A56 PolarHBondContact O-N 3.22Å; H54-A56 PolarHBondContact O-N 2.98Å; A56-M58 VanDerWaalsContact C-N 3.29Å; A56-M58 PolarHBondContact O-N 2.92Å; A56-N60 CarbonylContact O-C 3.56Å; A56-N60 PolarHBondContact O-N 3.48Å; A56-P61 VanDerWaalsContact O-CA 3.32Å; A56-P61 WeakPolarHBondContact O-CA 3.44Å; A56-P61 WeakPolarHBondContact O-CD 3.29Å; A56-I64 HydrophobicContact CB-CD1 4.32Å; A56-I64 HydrophobicContact CB-CG1 3.55Å |
| 57 | V | 91.3 | Very high | 87.9 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.7 | -37 | 174.2 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | Y53 H54 Y55 I64 P89 L92 A93 A101 L105 | Y53-V57 WeakPolarHBondContact O-CB 3.49Å; Y53-V57 WeakPolarHBondContact O-CG2 3.39Å; Y53-V57 PolarHBondContact O-N 2.84Å; H54-V57 PolarHBondContact O-N 3.35Å; Y55-V57 PolarHBondContact O-N 2.98Å; V57-I64 HydrophobicContact CG2-CD1 3.83Å; V57-P89 HydrophobicContact CG2-CB 4.39Å; V57-L92 HydrophobicContact CG1-CB 4.28Å; V57-L92 HydrophobicContact CG1-CD2 4.16Å; V57-L92 HydrophobicContact CG1-CG 3.91Å; V57-A93 HydrophobicContact CG1-CB 3.84Å; V57-A93 HydrophobicContact CG2-CB 4.11Å; V57-A101 HydrophobicContact CG2-CB 4.21Å; V57-L105 HydrophobicContact CG2-CD1 3.93Å |
| 58 | M | 91.9 | Very high | 86.6 | Confident | 36 Ų | 36 | 41.1 Ų | 41.1 | 18% | 0.177 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -74.7 | -40.1 | -175.6 | -78.4 | 176.7 | 60.8 | 0 | 0 | 113.7 | H54 Y55 A56 L92 K96 | H54-M58 VanDerWaalsContact O-CB 3.31Å; H54-M58 WeakPolarHBondContact O-CB 3.33Å; H54-M58 WeakPolarHBondContact O-CG 3.38Å; H54-M58 PolarHBondContact O-N 3Å; Y55-M58 PolarHBondContact O-N 3.38Å; Y55-M58 VanDerWaalsContact O-N 3.14Å; A56-M58 VanDerWaalsContact C-N 3.29Å; A56-M58 PolarHBondContact O-N 2.92Å; M58-L92 HydrophobicContact CG-CD2 3.84Å; M58-L92 HydrophobicContact SD-CD2 4.32Å; M58-K96 PolarHBondContact O-NZ 2.83Å |
| 59 | Y | 91.7 | Very high | 85.4 | Confident | 90 Ų | 90 | 44.9 Ų | 44.9 | 35% | 0.353 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | -50.1 | -168 | -56.3 | -74.6 | 0 | 0 | 0 | 112.8 | Q25 Y55 | Q25-Y59 HydrophobicContact CB-CD2 4.06Å; Q25-Y59 HydrophobicContact CB-CE2 4.44Å; Q25-Y59 HydrophobicContact CB-CG 4.34Å; Q25-Y59 HydrophobicContact CG-CD1 4Å; Q25-Y59 HydrophobicContact CG-CD2 3.84Å; Q25-Y59 HydrophobicContact CG-CE1 4.13Å; Q25-Y59 HydrophobicContact CG-CE2 4Å; Q25-Y59 HydrophobicContact CG-CG 3.85Å; Y55-Y59 AromaticContact CD1-CD2 3.83Å; Y55-Y59 HydrophobicContact CD1-CD2 3.83Å; Y55-Y59 AromaticContact CD1-CE2 3.56Å; Y55-Y59 HydrophobicContact CD1-CE2 3.56Å; Y55-Y59 AromaticContact CE1-CE2 3.92Å; Y55-Y59 HydrophobicContact CE1-CE2 3.92Å; Y55-Y59 HydrophobicContact CG-CD2 4.45Å; Y55-Y59 HydrophobicContact CG-CE2 4.32Å; Y55-Y59 VanDerWaalsContact O-CD2 3.28Å; Y55-Y59 WeakPolarHBondContact O-CD2 3.35Å; Y55-Y59 PolarHBondContact O-N 3.18Å |
| 60 | N | 91.2 | Very high | 84.3 | Confident | 50 Ų | 50 | 46.1 Ų | 46.1 | 27% | 0.267 | 23% | 0.228 | S | C | . | . | trans | -137.9 | 80.9 | -172.6 | -67.1 | -71.8 | 0 | 0 | 0 | 113.1 | V24 Q25 G27 A56 Q62 L63 | V24-N60 PolarHBondContact O-ND2 2.88Å; Q25-N60 PolarHBondContact O-ND2 3.31Å; G27-N60 VanDerWaalsContact CA-CG 3.41Å; G27-N60 VanDerWaalsContact CA-ND2 3.26Å; G27-N60 WeakPolarHBondContact CA-ND2 3.35Å; G27-N60 PolarHBondContact N-ND2 2.88Å; G27-N60 VanDerWaalsContact N-ND2 3.2Å; A56-N60 CarbonylContact O-C 3.56Å; A56-N60 PolarHBondContact O-N 3.48Å; N60-Q62 PolarHBondContact O-N 3.26Å; N60-Q62 VanDerWaalsContact O-N 3.09Å; N60-L63 HydrophobicContact CB-CD1 3.87Å; N60-L63 HydrophobicContact CB-CG 4Å; N60-L63 WeakPolarHBondContact O-CB 3.29Å; N60-L63 PolarHBondContact O-N 3.21Å | ||
| 61 | P | 88.9 | Confident | 83.2 | Confident | 28 Ų | 28 | 46.1 Ų | 46.1 | 18% | 0.182 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -58.5 | -26.1 | -175.6 | -30.1 | 36.3 | 0 | 0 | 0 | 115.4 | A56 L63 I64 T98 V100 A101 | A56-P61 VanDerWaalsContact O-CA 3.32Å; A56-P61 WeakPolarHBondContact O-CA 3.44Å; A56-P61 WeakPolarHBondContact O-CD 3.29Å; P61-L63 PolarHBondContact O-N 3.15Å; P61-I64 WeakPolarHBondContact O-CB 3.38Å; P61-I64 VanDerWaalsContact O-CG1 3.3Å; P61-I64 WeakPolarHBondContact O-CG1 3.48Å; P61-I64 PolarHBondContact O-N 2.94Å; P61-T98 HydrophobicContact CB-CG2 3.85Å; P61-T98 HydrophobicContact CG-CG2 3.46Å; P61-T98 VanDerWaalsContact CG-CG2 3.46Å; P61-V100 HydrophobicContact CB-CB 4.45Å; P61-V100 HydrophobicContact CB-CG1 4.27Å; P61-A101 HydrophobicContact CB-CB 4.05Å |
| 62 | Q | 85.6 | Confident | 82 | Confident | 113 Ų | 113 | 51 Ų | 51 | 53% | 0.528 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -66.2 | -27.8 | 179.2 | -58.1 | -63.3 | -0.1 | 0 | 0 | 112 | N60 I64 K65 | N60-Q62 PolarHBondContact O-N 3.26Å; N60-Q62 VanDerWaalsContact O-N 3.09Å; Q62-I64 PolarHBondContact O-N 3.36Å; Q62-K65 WeakPolarHBondContact O-CB 3.39Å; Q62-K65 PolarHBondContact O-N 3.44Å; Q62-K65 VanDerWaalsContact O-N 3.14Å |
| 63 | L | 87.8 | Confident | 81 | Confident | 17 Ų | 17 | 56.5 Ų | 56.5 | 9% | 0.089 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -69.8 | -13.2 | 179.5 | -65.6 | -176.2 | 0 | 0 | 0 | 113.3 | V24 E29 V32 N60 P61 K65 V66 | V24-L63 HydrophobicContact CB-CD1 4.33Å; V24-L63 HydrophobicContact CG1-CD1 4.16Å; V24-L63 HydrophobicContact CG2-CD1 4.47Å; E29-L63 HydrophobicContact CB-CD2 3.76Å; E29-L63 HydrophobicContact CG-CD2 4.22Å; V32-L63 HydrophobicContact CG2-CD1 4.24Å; N60-L63 HydrophobicContact CB-CD1 3.87Å; N60-L63 HydrophobicContact CB-CG 4Å; N60-L63 WeakPolarHBondContact O-CB 3.29Å; N60-L63 PolarHBondContact O-N 3.21Å; P61-L63 PolarHBondContact O-N 3.15Å; L63-K65 PolarHBondContact O-N 3.48Å; L63-V66 HydrophobicContact CB-CG2 4.49Å; L63-V66 HydrophobicContact CD2-CG2 4.01Å; L63-V66 WeakPolarHBondContact O-CB 3.4Å; L63-V66 WeakPolarHBondContact O-CG2 3.33Å; L63-V66 PolarHBondContact O-N 3.48Å; L63-V66 VanDerWaalsContact O-N 3.12Å |
| 64 | I | 84.1 | Confident | 80.4 | Confident | 6 Ų | 6 | 59.9 Ų | 59.9 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -61.2 | -29.5 | 172 | -59.8 | 175.4 | 0 | 0 | 0 | 110.8 | Y53 A56 V57 P61 Q62 V66 A101 L105 | Y53-I64 HydrophobicContact CD1-CG2 4.37Å; Y53-I64 HydrophobicContact CE1-CG2 4.25Å; A56-I64 HydrophobicContact CB-CD1 4.32Å; A56-I64 HydrophobicContact CB-CG1 3.55Å; V57-I64 HydrophobicContact CG2-CD1 3.83Å; P61-I64 WeakPolarHBondContact O-CB 3.38Å; P61-I64 VanDerWaalsContact O-CG1 3.3Å; P61-I64 WeakPolarHBondContact O-CG1 3.48Å; P61-I64 PolarHBondContact O-N 2.94Å; Q62-I64 PolarHBondContact O-N 3.36Å; I64-V66 VanDerWaalsContact C-N 3.29Å; I64-V66 PolarHBondContact O-N 2.96Å; I64-A101 HydrophobicContact CD1-CB 3.87Å; I64-L105 HydrophobicContact CD1-CD1 4.4Å; I64-L105 HydrophobicContact CD1-CD2 4.32Å; I64-L105 HydrophobicContact CD1-CG 4Å; I64-L105 HydrophobicContact CG2-CD2 3.69Å; I64-L105 HydrophobicContact CG2-CG 3.96Å |
| 65 | K | 78 | Confident | 79.6 | Confident | 107 Ų | 107 | 60.9 Ų | 60.9 | 47% | 0.465 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -77.1 | -11.6 | 178.9 | -63.4 | 178.6 | 178.5 | 171.1 | 0 | 113.7 | Q62 L63 R67 S104 | Q62-K65 WeakPolarHBondContact O-CB 3.39Å; Q62-K65 PolarHBondContact O-N 3.44Å; Q62-K65 VanDerWaalsContact O-N 3.14Å; L63-K65 PolarHBondContact O-N 3.48Å; K65-R67 PolarHBondContact O-N 2.88Å; K65-S104 WeakPolarHBondContact CE-OG 3.24Å |
| 66 | V | 77.3 | Confident | 78.8 | Confident | 11 Ų | 11 | 64.8 Ų | 64.8 | 7% | 0.067 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -62.2 | 109.7 | 176.7 | 177.4 | 0 | 0 | 0 | 0 | 107.1 | E29 V32 K33 L63 I64 I68 | E29-V66 HydrophobicContact CG-CG2 3.77Å; V32-V66 HydrophobicContact CG1-CG1 4.44Å; K33-V66 HydrophobicContact CG-CG1 3.91Å; L63-V66 HydrophobicContact CB-CG2 4.49Å; L63-V66 HydrophobicContact CD2-CG2 4.01Å; L63-V66 WeakPolarHBondContact O-CB 3.4Å; L63-V66 WeakPolarHBondContact O-CG2 3.33Å; L63-V66 PolarHBondContact O-N 3.48Å; L63-V66 VanDerWaalsContact O-N 3.12Å; I64-V66 VanDerWaalsContact C-N 3.29Å; I64-V66 PolarHBondContact O-N 2.96Å; V66-I68 VanDerWaalsContact O-CG1 3.26Å; V66-I68 WeakPolarHBondContact O-CG1 3.42Å; V66-I68 PolarHBondContact O-N 3.46Å; V66-I68 VanDerWaalsContact O-N 3.14Å |
| 67 | R | 63.3 | Low | 78.3 | Confident | 234 Ų | 234 | 66.8 Ų | 66.8 | 88% | 0.883 | 34% | 0.339 | S | S | * | . | trans | -72.4 | 110.7 | -173.7 | -157.5 | 166.8 | 79 | 173.3 | 5.9 | 109.1 | K65 | K65-R67 PolarHBondContact O-N 2.88Š| ||
| 68 | I | 65.5 | Low | 77.9 | Confident | 30 Ų | 30 | 66.7 Ų | 66.7 | 15% | 0.154 | 34% | 0.339 | C | S | . | . | trans | -94.7 | 118.8 | -178.1 | -46.3 | -178.3 | 0 | 0 | 0 | 107.9 | L36 I42 V66 V70 | L36-I68 HydrophobicContact CD1-CB 4.44Å; L36-I68 HydrophobicContact CD1-CD1 4.06Å; L36-I68 HydrophobicContact CD1-CG1 3.87Å; L36-I68 HydrophobicContact CD1-CG2 3.98Å; L36-I68 HydrophobicContact CD2-CG2 4.03Å; I42-I68 HydrophobicContact CD1-CB 4.23Å; I42-I68 HydrophobicContact CD1-CD1 3.36Å; I42-I68 HydrophobicContact CD1-CG1 4.34Å; I42-I68 HydrophobicContact CD1-CG2 3.64Å; I42-I68 HydrophobicContact CG1-CD1 4.34Å; V66-I68 VanDerWaalsContact O-CG1 3.26Å; V66-I68 WeakPolarHBondContact O-CG1 3.42Å; V66-I68 PolarHBondContact O-N 3.46Å; V66-I68 VanDerWaalsContact O-N 3.14Å; I68-V70 HydrophobicContact CB-CG2 4.43Å; I68-V70 HydrophobicContact CG2-CB 4.2Å; I68-V70 HydrophobicContact CG2-CG2 3.35Å; I68-V70 PolarHBondContact O-N 2.86Å | ||
| 69 | A | 64.1 | Low | 77.4 | Confident | 111 Ų | 111 | 65.3 Ų | 65.3 | 92% | 0.917 | 33% | 0.333 | S | S | * | . | trans | -75.8 | 72.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 70 | V | 68.4 | Low | 76.8 | Confident | 49 Ų | 49 | 62.7 Ų | 62.7 | 30% | 0.297 | 33% | 0.325 | S | S | . | . | trans | -128.1 | 151.8 | -179.2 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | I42 I68 F72 F74 L75 | I42-V70 HydrophobicContact CD1-CG2 4.42Å; I42-V70 HydrophobicContact CG2-CG1 4.35Å; I42-V70 HydrophobicContact CG2-CG2 4.37Å; I68-V70 HydrophobicContact CB-CG2 4.43Å; I68-V70 HydrophobicContact CG2-CB 4.2Å; I68-V70 HydrophobicContact CG2-CG2 3.35Å; I68-V70 PolarHBondContact O-N 2.86Å; V70-F72 PolarHBondContact O-N 3.27Å; V70-F74 HydrophobicContact CG1-CB 3.67Å; V70-F74 HydrophobicContact CG1-CD2 3.61Å; V70-F74 HydrophobicContact CG1-CG 4.11Å; V70-L75 HydrophobicContact CB-CD2 4.44Å | ||
| 71 | A | 71 | Confident | 76.6 | Confident | 58 Ų | 58 | 63.3 Ų | 63.3 | 48% | 0.479 | 33% | 0.327 | S | S | . | . | trans | -54.1 | 138.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L73 F74 L75 | A71-L73 VanDerWaalsContact C-N 3.25Å; A71-L73 PolarHBondContact O-N 3.48Å; A71-L73 VanDerWaalsContact O-N 3.16Å; A71-F74 HydrophobicContact CB-CD2 3.82Å; A71-F74 HydrophobicContact CB-CE2 4.21Å; A71-F74 WeakPolarHBondContact O-CB 3.48Å; A71-F74 PolarHBondContact O-N 2.89Å; A71-L75 PolarHBondContact O-N 2.93Å | ||
| 72 | F | 67.8 | Low | 76.5 | Confident | 103 Ų | 103 | 63.6 Ų | 63.6 | 45% | 0.452 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -49.7 | -42.6 | -178 | 176.1 | -91.1 | 0 | 0 | 0 | 113.4 | V70 F74 L75 Y76 E111 L112 | V70-F72 PolarHBondContact O-N 3.27Å; F72-F74 VanDerWaalsContact C-N 3.26Å; F72-F74 PolarHBondContact O-N 3.41Å; F72-L75 WeakPolarHBondContact O-CB 3.41Å; F72-L75 PolarHBondContact O-N 3.5Å; F72-L75 VanDerWaalsContact O-N 3.1Å; F72-Y76 PolarHBondContact O-N 3.49Å; F72-E111 HydrophobicContact CE2-CB 3.84Å; F72-E111 HydrophobicContact CZ-CB 3.65Å; F72-L112 HydrophobicContact CD1-CD2 4.37Å; F72-L112 HydrophobicContact CD2-CD2 3.76Å; F72-L112 HydrophobicContact CE1-CD2 3.9Å; F72-L112 HydrophobicContact CE2-CD2 3.23Å; F72-L112 HydrophobicContact CE2-CG 4.33Å; F72-L112 HydrophobicContact CG-CD2 4.31Å; F72-L112 HydrophobicContact CZ-CD2 3.32Å |
| 73 | L | 69.5 | Low | 76.8 | Confident | 124 Ų | 124 | 58.9 Ų | 58.9 | 65% | 0.649 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59 | -36.1 | -180 | -176.5 | 65.1 | 0 | 0 | 0 | 112.9 | A71 S77 | A71-L73 VanDerWaalsContact C-N 3.25Å; A71-L73 PolarHBondContact O-N 3.48Å; A71-L73 VanDerWaalsContact O-N 3.16Å; L73-S77 WeakPolarHBondContact O-CB 3.26Å; L73-S77 PolarHBondContact O-N 2.79Å |
| 74 | F | 75.4 | Confident | 76.9 | Confident | 84 Ų | 84 | 64.6 Ų | 64.6 | 37% | 0.368 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -72.5 | -39.9 | 177.1 | -63.2 | -42.1 | 0 | 0 | 0 | 111.3 | V70 A71 F72 Y76 S77 L78 | V70-F74 HydrophobicContact CG1-CB 3.67Å; V70-F74 HydrophobicContact CG1-CD2 3.61Å; V70-F74 HydrophobicContact CG1-CG 4.11Å; A71-F74 HydrophobicContact CB-CD2 3.82Å; A71-F74 HydrophobicContact CB-CE2 4.21Å; A71-F74 WeakPolarHBondContact O-CB 3.48Å; A71-F74 PolarHBondContact O-N 2.89Å; F72-F74 VanDerWaalsContact C-N 3.26Å; F72-F74 PolarHBondContact O-N 3.41Å; F74-Y76 VanDerWaalsContact C-N 3.33Å; F74-S77 PolarHBondContact O-N 3.34Å; F74-L78 WeakPolarHBondContact O-CB 3.39Å; F74-L78 WeakPolarHBondContact O-CG 3.38Å; F74-L78 PolarHBondContact O-N 3.29Å |
| 75 | L | 75.6 | Confident | 77 | Confident | 22 Ų | 22 | 68.5 Ų | 68.5 | 12% | 0.115 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 173.1 | -61.2 | 175.7 | 0 | 0 | 0 | 110.8 | I42 V70 A71 F72 L78 A79 L112 | I42-L75 HydrophobicContact CD1-CD2 4.39Å; V70-L75 HydrophobicContact CB-CD2 4.44Å; A71-L75 PolarHBondContact O-N 2.93Å; F72-L75 WeakPolarHBondContact O-CB 3.41Å; F72-L75 PolarHBondContact O-N 3.5Å; F72-L75 VanDerWaalsContact O-N 3.1Å; L75-L78 PolarHBondContact O-N 2.95Å; L75-A79 WeakPolarHBondContact O-CB 3.36Å; L75-A79 PolarHBondContact O-N 3.38Å; L75-L112 HydrophobicContact CB-CD1 3.82Å |
| 76 | Y | 75 | Confident | 77.4 | Confident | 82 Ų | 82 | 65.5 Ų | 65.5 | 32% | 0.322 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.6 | -52.2 | 175.2 | -175.9 | -85.3 | 0 | 0 | 0 | 111.7 | F72 F74 L78 A79 N80 L112 | F72-Y76 PolarHBondContact O-N 3.49Å; F74-Y76 VanDerWaalsContact C-N 3.33Å; Y76-L78 VanDerWaalsContact C-N 3.31Å; Y76-L78 PolarHBondContact O-N 2.89Å; Y76-A79 PolarHBondContact O-N 2.5Å; Y76-N80 WeakPolarHBondContact CE2-ND2 3.4Å; Y76-N80 VanDerWaalsContact CZ-ND2 3.33Å; Y76-N80 WeakPolarHBondContact O-CB 3.3Å; Y76-N80 PolarHBondContact O-N 2.85Å; Y76-N80 PolarHBondContact O-ND2 2.99Å; Y76-N80 VanDerWaalsContact O-ND2 3.15Å; Y76-L112 HydrophobicContact CD2-CB 4.19Å; Y76-L112 HydrophobicContact CD2-CD2 3.99Å; Y76-L112 HydrophobicContact CG-CD2 4.36Å |
| 77 | S | 81.5 | Confident | 77.9 | Confident | 45 Ų | 45 | 66 Ų | 66 | 32% | 0.315 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 179.5 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | L73 F74 N80 M81 | L73-S77 WeakPolarHBondContact O-CB 3.26Å; L73-S77 PolarHBondContact O-N 2.79Å; F74-S77 PolarHBondContact O-N 3.34Å; S77-N80 PolarHBondContact O-N 3.48Å; S77-M81 WeakPolarHBondContact O-CB 3.48Å; S77-M81 PolarHBondContact O-N 2.75Å |
| 78 | L | 83 | Confident | 79.1 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 179.5 | -73.1 | 171.3 | 0 | 0 | 0 | 113.4 | I42 N51 Y53 F74 L75 Y76 N80 P89 | I42-L78 HydrophobicContact CB-CD1 4.37Å; I42-L78 HydrophobicContact CD1-CD1 3.76Å; I42-L78 HydrophobicContact CG1-CD1 3.61Å; I42-L78 HydrophobicContact CG2-CD1 4.13Å; N51-L78 HydrophobicContact CB-CD2 3.69Å; N51-L78 PolarHBondContact ND2-O 2.84Å; Y53-L78 HydrophobicContact CD2-CB 3.8Å; Y53-L78 HydrophobicContact CE2-CB 3.89Å; F74-L78 WeakPolarHBondContact O-CB 3.39Å; F74-L78 WeakPolarHBondContact O-CG 3.38Å; F74-L78 PolarHBondContact O-N 3.29Å; L75-L78 PolarHBondContact O-N 2.95Å; Y76-L78 VanDerWaalsContact C-N 3.31Å; Y76-L78 PolarHBondContact O-N 2.89Å; L78-N80 VanDerWaalsContact C-N 3.26Å; L78-N80 PolarHBondContact O-N 3.42Å; L78-P89 WeakPolarHBondContact O-CG 3.15Å |
| 79 | A | 80 | Confident | 80.3 | Confident | 8 Ų | 8 | 53.6 Ų | 53.6 | 7% | 0.066 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.5 | -24.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | L75 Y76 P89 L112 | L75-A79 WeakPolarHBondContact O-CB 3.36Å; L75-A79 PolarHBondContact O-N 3.38Å; Y76-A79 PolarHBondContact O-N 2.5Å; A79-P89 WeakPolarHBondContact O-CD 3.41Å; A79-L112 HydrophobicContact CB-CB 4.26Å; A79-L112 HydrophobicContact CB-CD1 3.94Å |
| 80 | N | 80.2 | Confident | 81.3 | Confident | 35 Ų | 35 | 48.8 Ų | 48.8 | 19% | 0.187 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -111.7 | -10.3 | -175.7 | -66.9 | -48.6 | 0 | 0 | 0 | 115 | Y76 S77 L78 G82 L112 P114 | Y76-N80 WeakPolarHBondContact CE2-ND2 3.4Å; Y76-N80 VanDerWaalsContact CZ-ND2 3.33Å; Y76-N80 WeakPolarHBondContact O-CB 3.3Å; Y76-N80 PolarHBondContact O-N 2.85Å; Y76-N80 PolarHBondContact O-ND2 2.99Å; Y76-N80 VanDerWaalsContact O-ND2 3.15Å; S77-N80 PolarHBondContact O-N 3.48Å; L78-N80 VanDerWaalsContact C-N 3.26Å; L78-N80 PolarHBondContact O-N 3.42Å; N80-G82 PolarHBondContact O-N 2.8Å; N80-L112 PolarHBondContact ND2-O 3.43Å; N80-L112 PolarHBondContact OD1-O 2.81Å; N80-P114 WeakPolarHBondContact OD1-CB 3.23Å; N80-P114 VanDerWaalsContact OD1-CD 3.32Å; N80-P114 WeakPolarHBondContact OD1-CD 3.43Å |
| 81 | M | 85.9 | Confident | 82.2 | Confident | 63 Ų | 63 | 48.1 Ų | 48.1 | 31% | 0.31 | 27% | 0.27 | S | S | . | . | trans | -63.6 | 127.9 | 175.7 | 178.5 | -179 | -69.8 | 0 | 0 | 110.1 | V45 H54 S77 S88 P89 | V45-M81 HydrophobicContact CG1-SD 3.55Å; V45-M81 VanDerWaalsContact CG1-SD 3.55Å; H54-M81 PolarHBondContact CE1-O 3.04Å; S77-M81 WeakPolarHBondContact O-CB 3.48Å; S77-M81 PolarHBondContact O-N 2.75Å; M81-S88 WeakPolarHBondContact O-CA 3.19Å; M81-P89 WeakPolarHBondContact O-CD 3.37Å | ||
| 82 | G | 88 | Confident | 83.1 | Confident | 33 Ų | 33 | 46.1 Ų | 46.1 | 34% | 0.34 | 25% | 0.251 | S | S | . | . | trans | -84.1 | 146.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N80 L87 | N80-G82 PolarHBondContact O-N 2.8Å; G82-L87 WeakPolarHBondContact CA-O 3.34Å | ||
| 83 | D | 90.4 | Very high | 84.1 | Confident | 14 Ų | 14 | 41.2 Ų | 41.2 | 8% | 0.075 | 23% | 0.229 | C | C | . | . | trans | -68.7 | -174.2 | 164.2 | 71.8 | 2.6 | 0 | 0 | 0 | 112.1 | V48 R50 T85 G86 L87 | V48-D83 CarbonylContact O-C 3.53Å; V48-D83 WeakPolarHBondContact O-CA 3.49Å; R50-D83 HydrophobicContact CG-CB 3.85Å; R50-D83 IonicContact NE-OD2 3.97Å; D83-T85 PolarHBondContact O-N 2.85Å; D83-T85 WeakPolarHBondContact OD1-CA 3Å; D83-T85 WeakPolarHBondContact OD1-CB 3.38Å; D83-T85 PolarHBondContact OD1-N 3.18Å; D83-T85 PolarHBondContact OD1-OG1 3.31Å; D83-T85 PolarHBondContact OD2-OG1 2.94Å; D83-G86 WeakPolarHBondContact O-CA 3.38Å; D83-G86 PolarHBondContact O-N 3.47Å; D83-G86 PolarHBondContact OD1-N 3.17Å; D83-L87 PolarHBondContact N-O 2.97Å; D83-L87 PolarHBondContact OD1-N 3.48Å | ||
| 84 | E | 90.1 | Very high | 84.9 | Confident | 137 Ų | 137 | 35.3 Ų | 35.3 | 64% | 0.64 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -26.6 | 178.1 | 78.8 | -171.6 | 162.4 | 0 | 0 | 113.5 | V48 G86 | V48-E84 HydrophobicContact CG1-CB 4.03Å; V48-E84 HydrophobicContact CG1-CG 3.56Å; V48-E84 VanDerWaalsContact CG1-OE1 3.28Å; V48-E84 WeakPolarHBondContact CG1-OE1 3.47Å; V48-E84 PolarHBondContact O-N 3.27Å; E84-G86 VanDerWaalsContact C-N 3.34Å |
| 85 | T | 86.7 | Confident | 85.5 | Confident | 88 Ų | 88 | 37 Ų | 37 | 54% | 0.54 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -2 | 179.4 | 73.8 | 0 | 0 | 0 | 0 | 112.7 | D83 L87 | D83-T85 PolarHBondContact O-N 2.85Å; D83-T85 WeakPolarHBondContact OD1-CA 3Å; D83-T85 WeakPolarHBondContact OD1-CB 3.38Å; D83-T85 PolarHBondContact OD1-N 3.18Å; D83-T85 PolarHBondContact OD1-OG1 3.31Å; D83-T85 PolarHBondContact OD2-OG1 2.94Å; T85-L87 WeakPolarHBondContact OG1-CD1 3.13Å; T85-L87 VanDerWaalsContact OG1-CG 3.3Å; T85-L87 WeakPolarHBondContact OG1-CG 3.1Å |
| 86 | G | 86.7 | Confident | 85.9 | Confident | 45 Ų | 45 | 41 Ų | 41 | 46% | 0.464 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 76.4 | 18.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D83 E84 | D83-G86 WeakPolarHBondContact O-CA 3.38Å; D83-G86 PolarHBondContact O-N 3.47Å; D83-G86 PolarHBondContact OD1-N 3.17Å; E84-G86 VanDerWaalsContact C-N 3.34Å |
| 87 | L | 88 | Confident | 86 | Confident | 20 Ų | 20 | 38.9 Ų | 38.9 | 11% | 0.105 | 23% | 0.225 | C | C | . | . | trans | -86.9 | 117.8 | 175.8 | -67.7 | 175.8 | 0 | 0 | 0 | 109.7 | H54 G82 D83 T85 K91 L92 K95 | H54-L87 PolarHBondContact NE2-O 3.07Å; G82-L87 WeakPolarHBondContact CA-O 3.34Å; D83-L87 PolarHBondContact N-O 2.97Å; D83-L87 PolarHBondContact OD1-N 3.48Å; T85-L87 WeakPolarHBondContact OG1-CD1 3.13Å; T85-L87 VanDerWaalsContact OG1-CG 3.3Å; T85-L87 WeakPolarHBondContact OG1-CG 3.1Å; L87-K91 HydrophobicContact CD2-CB 4.24Å; L87-K91 HydrophobicContact CD2-CD 3.68Å; L87-K91 HydrophobicContact CD2-CG 3.68Å; L87-L92 HydrophobicContact CD1-CD1 4.23Å; L87-K95 HydrophobicContact CD1-CD 3.99Å | ||
| 88 | S | 89.2 | Confident | 86.1 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 4% | 0.035 | 22% | 0.222 | C | C | . | . | trans | -70.5 | 160.8 | 165.8 | 68.7 | 0 | 0 | 0 | 0 | 111.2 | M81 L90 K91 L92 | M81-S88 WeakPolarHBondContact O-CA 3.19Å; S88-L90 PolarHBondContact O-N 3.13Å; S88-K91 WeakPolarHBondContact O-CB 3.49Å; S88-K91 PolarHBondContact O-N 2.93Å; S88-K91 WeakPolarHBondContact OG-CB 3.15Å; S88-K91 PolarHBondContact OG-N 3.42Å; S88-L92 WeakPolarHBondContact O-CB 3.41Å; S88-L92 PolarHBondContact O-N 3.23Å | ||
| 89 | P | 88.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -51.6 | -41.1 | 174.5 | -27.2 | 31.3 | 0 | 0 | 0 | 113.3 | H54 V57 L78 A79 M81 L92 A93 L105 | H54-P89 VanDerWaalsContact CE1-CD 3.41Å; H54-P89 WeakPolarHBondContact CE1-CD 3.37Å; H54-P89 WeakPolarHBondContact NE2-CD 3.41Å; V57-P89 HydrophobicContact CG2-CB 4.39Å; L78-P89 WeakPolarHBondContact O-CG 3.15Å; A79-P89 WeakPolarHBondContact O-CD 3.41Å; M81-P89 WeakPolarHBondContact O-CD 3.37Å; P89-L92 PolarHBondContact O-N 3.27Å; P89-A93 WeakPolarHBondContact O-CB 3.39Å; P89-A93 PolarHBondContact O-N 3.38Å; P89-L105 HydrophobicContact CB-CD1 4.27Å |
| 90 | L | 86.1 | Confident | 86.5 | Confident | 10 Ų | 10 | 44.1 Ų | 44.1 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.2 | -42.1 | 178.3 | -176.3 | 58.4 | 0 | 0 | 0 | 112 | S88 L92 A93 I94 V102 L105 L106 L122 | S88-L90 PolarHBondContact O-N 3.13Å; L90-L92 VanDerWaalsContact C-N 3.34Å; L90-A93 WeakPolarHBondContact O-CB 3.48Å; L90-A93 PolarHBondContact O-N 3.13Å; L90-I94 WeakPolarHBondContact O-CG1 3.3Å; L90-I94 PolarHBondContact O-N 3.49Å; L90-V102 HydrophobicContact CD1-CG1 4.43Å; L90-L105 HydrophobicContact CB-CD1 4.28Å; L90-L105 HydrophobicContact CD1-CB 4.15Å; L90-L105 HydrophobicContact CD1-CD1 4.23Å; L90-L106 HydrophobicContact CD1-CG 4.4Å; L90-L106 HydrophobicContact CD2-CD2 4.18Å; L90-L122 HydrophobicContact CD2-CD1 3.65Å; L90-L122 HydrophobicContact CG-CD1 4.12Å; L90-L122 HydrophobicContact CG-CD2 4.4Å |
| 91 | K | 86.9 | Confident | 86.9 | Confident | 34 Ų | 34 | 42.5 Ų | 42.5 | 15% | 0.148 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65 | -39.9 | 176 | -161.4 | 168.9 | -169.6 | 159.4 | 0 | 111.8 | L87 S88 I94 K95 E118 L122 L125 | L87-K91 HydrophobicContact CD2-CB 4.24Å; L87-K91 HydrophobicContact CD2-CD 3.68Å; L87-K91 HydrophobicContact CD2-CG 3.68Å; S88-K91 WeakPolarHBondContact O-CB 3.49Å; S88-K91 PolarHBondContact O-N 2.93Å; S88-K91 WeakPolarHBondContact OG-CB 3.15Å; S88-K91 PolarHBondContact OG-N 3.42Å; K91-I94 PolarHBondContact O-N 2.87Å; K91-K95 WeakPolarHBondContact O-CB 3.43Å; K91-K95 PolarHBondContact O-N 3.5Å; K91-E118 WeakPolarHBondContact CD-OE1 3.42Å; K91-E118 IonicContact NZ-OE1 2.83Å; K91-E118 PolarHBondContact NZ-OE1 3.17Å; K91-E118 IonicContact NZ-OE2 3.73Å; K91-L122 HydrophobicContact CB-CD2 3.67Å; K91-L122 HydrophobicContact CG-CD2 3.9Å; K91-L125 HydrophobicContact CG-CD2 3.64Å |
| 92 | L | 89.6 | Confident | 86.8 | Confident | 16 Ų | 16 | 39.5 Ų | 39.5 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.5 | -41.4 | 173.6 | -176.4 | 61.9 | 0 | 0 | 0 | 111.3 | H54 V57 M58 L87 S88 P89 L90 K95 K96 | H54-L92 HydrophobicContact CB-CD2 4.44Å; V57-L92 HydrophobicContact CG1-CB 4.28Å; V57-L92 HydrophobicContact CG1-CD2 4.16Å; V57-L92 HydrophobicContact CG1-CG 3.91Å; M58-L92 HydrophobicContact CG-CD2 3.84Å; M58-L92 HydrophobicContact SD-CD2 4.32Å; L87-L92 HydrophobicContact CD1-CD1 4.23Å; S88-L92 WeakPolarHBondContact O-CB 3.41Å; S88-L92 PolarHBondContact O-N 3.23Å; P89-L92 PolarHBondContact O-N 3.27Å; L90-L92 VanDerWaalsContact C-N 3.34Å; L92-K95 PolarHBondContact O-N 3.15Å; L92-K96 HydrophobicContact CD1-CG 4.32Å; L92-K96 WeakPolarHBondContact O-CB 3.42Å; L92-K96 PolarHBondContact O-N 3.14Å |
| 93 | A | 88.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62 | -43.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V57 P89 L90 G97 T98 A101 V102 L105 | V57-A93 HydrophobicContact CG1-CB 3.84Å; V57-A93 HydrophobicContact CG2-CB 4.11Å; P89-A93 WeakPolarHBondContact O-CB 3.39Å; P89-A93 PolarHBondContact O-N 3.38Å; L90-A93 WeakPolarHBondContact O-CB 3.48Å; L90-A93 PolarHBondContact O-N 3.13Å; A93-G97 PolarHBondContact O-N 3.02Å; A93-T98 PolarHBondContact O-N 3.22Å; A93-A101 HydrophobicContact CB-CB 3.8Å; A93-V102 HydrophobicContact CB-CG2 3.87Å; A93-L105 HydrophobicContact CB-CD1 4.13Å |
| 94 | I | 86.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.6 | -47 | 173.4 | -65.6 | 170 | 0 | 0 | 0 | 110.4 | L90 K91 K96 V102 L122 L125 A126 L129 K134 L138 | L90-I94 WeakPolarHBondContact O-CG1 3.3Å; L90-I94 PolarHBondContact O-N 3.49Å; K91-I94 PolarHBondContact O-N 2.87Å; I94-K96 PolarHBondContact O-N 3.29Å; I94-V102 HydrophobicContact CG1-CG2 3.97Å; I94-L122 HydrophobicContact CD1-CB 3.79Å; I94-L122 HydrophobicContact CD1-CD2 3.66Å; I94-L122 HydrophobicContact CD1-CG 4.23Å; I94-L125 HydrophobicContact CB-CD2 4.34Å; I94-L125 HydrophobicContact CG2-CB 4.48Å; I94-L125 HydrophobicContact CG2-CD2 4.02Å; I94-L125 HydrophobicContact CG2-CG 3.98Å; I94-A126 HydrophobicContact CG2-CB 3.99Å; I94-L129 HydrophobicContact CG2-CD1 4.02Å; I94-L129 WeakPolarHBondContact O-CD1 3.44Å; I94-K134 PolarHBondContact O-NZ 2.85Å; I94-L138 HydrophobicContact CD1-CD1 3.81Å; I94-L138 HydrophobicContact CD1-CD2 4.23Å |
| 95 | K | 87.9 | Confident | 86 | Confident | 119 Ų | 119 | 33.7 Ų | 33.7 | 52% | 0.517 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.3 | -43.9 | -179.4 | -170.6 | 178 | 178.1 | -176.8 | 0 | 112.8 | L87 K91 L92 L125 | L87-K95 HydrophobicContact CD1-CD 3.99Å; K91-K95 WeakPolarHBondContact O-CB 3.43Å; K91-K95 PolarHBondContact O-N 3.5Å; L92-K95 PolarHBondContact O-N 3.15Å; K95-L125 HydrophobicContact CB-CD2 4.49Å |
| 96 | K | 85.5 | Confident | 85.6 | Confident | 107 Ų | 107 | 29.6 Ų | 29.6 | 47% | 0.465 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -71.2 | -35 | -175.3 | -88.7 | -154.2 | 174.3 | -160.7 | 0 | 114.4 | M58 L92 I94 | M58-K96 PolarHBondContact O-NZ 2.83Å; L92-K96 HydrophobicContact CD1-CG 4.32Å; L92-K96 WeakPolarHBondContact O-CB 3.42Å; L92-K96 PolarHBondContact O-N 3.14Å; I94-K96 PolarHBondContact O-N 3.29Å |
| 97 | G | 76 | Confident | 85 | Confident | 37 Ų | 37 | 31.8 Ų | 31.8 | 38% | 0.381 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 126.5 | -18.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116 | A93 I99 K134 | A93-G97 PolarHBondContact O-N 3.02Å; G97-I99 PolarHBondContact O-N 3.46Å; G97-I99 VanDerWaalsContact O-N 3.13Å; G97-K134 VanDerWaalsContact CA-CE 3.42Å; G97-K134 WeakPolarHBondContact O-CE 3.32Å |
| 98 | T | 84.8 | Confident | 83.7 | Confident | 40 Ų | 40 | 34.6 Ų | 34.6 | 25% | 0.245 | 18% | 0.18 | C | C | . | . | trans | -86.7 | 98.5 | -155.7 | -39.4 | 0 | 0 | 0 | 0 | 112.9 | P61 A93 V100 A101 V102 | P61-T98 HydrophobicContact CB-CG2 3.85Å; P61-T98 HydrophobicContact CG-CG2 3.46Å; P61-T98 VanDerWaalsContact CG-CG2 3.46Å; A93-T98 PolarHBondContact O-N 3.22Å; T98-V100 VanDerWaalsContact C-N 3.3Å; T98-V100 HydrophobicContact CG2-CB 4.42Å; T98-V100 PolarHBondContact O-N 3.48Å; T98-A101 HydrophobicContact CG2-CB 3.91Å; T98-A101 PolarHBondContact O-N 2.95Å; T98-A101 VanDerWaalsContact O-N 3.1Å; T98-V102 PolarHBondContact O-N 3.31Å; T98-V102 VanDerWaalsContact O-N 3.13Å | ||
| 99 | I | 84.3 | Confident | 82.4 | Confident | 75 Ų | 75 | 35.2 Ų | 35.2 | 39% | 0.385 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -52.2 | -48.2 | 176 | -72 | 169.8 | 0 | 0 | 0 | 111.5 | G97 A101 V102 E103 E133 K134 I137 | G97-I99 PolarHBondContact O-N 3.46Å; G97-I99 VanDerWaalsContact O-N 3.13Å; I99-A101 VanDerWaalsContact C-N 3.27Å; I99-A101 PolarHBondContact O-N 3.4Å; I99-V102 PolarHBondContact O-N 3.42Å; I99-E103 WeakPolarHBondContact O-CB 3.47Å; I99-E103 PolarHBondContact O-N 2.77Å; I99-E133 HydrophobicContact CD1-CB 3.77Å; I99-E133 HydrophobicContact CD1-CG 4.17Å; I99-E133 HydrophobicContact CG1-CB 4.31Å; I99-K134 HydrophobicContact CG1-CG 4.37Å; I99-I137 HydrophobicContact CG2-CD1 3.59Å |
| 100 | V | 87.2 | Confident | 81 | Confident | 49 Ų | 49 | 41.6 Ų | 41.6 | 30% | 0.297 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.5 | -38.9 | 179.9 | 178.3 | 0 | 0 | 0 | 0 | 111.8 | P61 T98 S104 | P61-V100 HydrophobicContact CB-CB 4.45Å; P61-V100 HydrophobicContact CB-CG1 4.27Å; T98-V100 VanDerWaalsContact C-N 3.3Å; T98-V100 HydrophobicContact CG2-CB 4.42Å; T98-V100 PolarHBondContact O-N 3.48Å; V100-S104 WeakPolarHBondContact O-CB 3.36Å; V100-S104 PolarHBondContact O-N 3.3Å; V100-S104 PolarHBondContact O-OG 3.41Å |
| 101 | A | 87.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.2 | -45.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V57 P61 I64 A93 T98 I99 S104 L105 | V57-A101 HydrophobicContact CG2-CB 4.21Å; P61-A101 HydrophobicContact CB-CB 4.05Å; I64-A101 HydrophobicContact CD1-CB 3.87Å; A93-A101 HydrophobicContact CB-CB 3.8Å; T98-A101 HydrophobicContact CG2-CB 3.91Å; T98-A101 PolarHBondContact O-N 2.95Å; T98-A101 VanDerWaalsContact O-N 3.1Å; I99-A101 VanDerWaalsContact C-N 3.27Å; I99-A101 PolarHBondContact O-N 3.4Å; A101-S104 PolarHBondContact O-N 3.16Å; A101-L105 VanDerWaalsContact O-CB 3.27Å; A101-L105 WeakPolarHBondContact O-CB 3.21Å; A101-L105 VanDerWaalsContact O-CG 3.27Å; A101-L105 WeakPolarHBondContact O-CG 3.48Å; A101-L105 PolarHBondContact O-N 2.88Å |
| 102 | V | 85.1 | Confident | 78.7 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.6 | -48.9 | 177 | 176.8 | 0 | 0 | 0 | 0 | 109.9 | L90 A93 I94 T98 I99 L106 K134 I137 | L90-V102 HydrophobicContact CD1-CG1 4.43Å; A93-V102 HydrophobicContact CB-CG2 3.87Å; I94-V102 HydrophobicContact CG1-CG2 3.97Å; T98-V102 PolarHBondContact O-N 3.31Å; T98-V102 VanDerWaalsContact O-N 3.13Å; I99-V102 PolarHBondContact O-N 3.42Å; V102-L106 HydrophobicContact CG1-CD1 3.77Å; V102-L106 WeakPolarHBondContact O-CB 3.39Å; V102-L106 WeakPolarHBondContact O-CD1 3.41Å; V102-L106 VanDerWaalsContact O-CG 3.22Å; V102-L106 WeakPolarHBondContact O-CG 3.45Å; V102-L106 PolarHBondContact O-N 2.93Å; V102-L106 VanDerWaalsContact O-N 3.1Å; V102-K134 HydrophobicContact CG2-CD 4.49Å; V102-I137 HydrophobicContact CG1-CG2 3.97Å |
| 103 | E | 84.7 | Confident | 77.6 | Confident | 52 Ų | 52 | 45 Ų | 45 | 24% | 0.243 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.2 | -43.7 | 179.3 | -175.1 | 169.4 | -148.8 | 0 | 0 | 112.1 | I99 L105 L106 Q107 I137 Y141 | I99-E103 WeakPolarHBondContact O-CB 3.47Å; I99-E103 PolarHBondContact O-N 2.77Å; E103-L105 PolarHBondContact O-N 3.27Å; E103-L106 PolarHBondContact O-N 2.89Å; E103-Q107 VanDerWaalsContact CD-NE2 3.28Å; E103-Q107 HydrophobicContact CG-CG 3.83Å; E103-Q107 VanDerWaalsContact CG-NE2 3.32Å; E103-Q107 VanDerWaalsContact O-CB 3.27Å; E103-Q107 WeakPolarHBondContact O-CB 3.24Å; E103-Q107 VanDerWaalsContact O-CG 3.31Å; E103-Q107 WeakPolarHBondContact O-CG 3.28Å; E103-Q107 PolarHBondContact O-N 2.94Å; E103-Q107 PolarHBondContact OE1-NE2 3Å; E103-I137 HydrophobicContact CB-CD1 4.49Å; E103-I137 HydrophobicContact CB-CG2 4.29Å; E103-Y141 HydrophobicContact CG-CE2 4.48Å |
| 104 | S | 83.3 | Confident | 76.5 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.6 | -34.3 | -179.3 | -56 | 0 | 0 | 0 | 0 | 112.8 | K65 V100 A101 L106 N108 | K65-S104 WeakPolarHBondContact CE-OG 3.24Å; V100-S104 WeakPolarHBondContact O-CB 3.36Å; V100-S104 PolarHBondContact O-N 3.3Å; V100-S104 PolarHBondContact O-OG 3.41Å; A101-S104 PolarHBondContact O-N 3.16Å; S104-L106 VanDerWaalsContact C-N 3.32Å; S104-N108 PolarHBondContact O-ND2 2.9Å |
| 105 | L | 82.4 | Confident | 75.9 | Confident | 10 Ų | 10 | 50.1 Ų | 50.1 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.2 | -22.8 | 173.5 | -74.6 | 172.1 | 0 | 0 | 0 | 112.8 | Y53 V57 I64 P89 L90 A93 A101 E103 N109 | Y53-L105 HydrophobicContact CD1-CD2 4.13Å; Y53-L105 HydrophobicContact CG-CD2 4.31Å; V57-L105 HydrophobicContact CG2-CD1 3.93Å; I64-L105 HydrophobicContact CD1-CD1 4.4Å; I64-L105 HydrophobicContact CD1-CD2 4.32Å; I64-L105 HydrophobicContact CD1-CG 4Å; I64-L105 HydrophobicContact CG2-CD2 3.69Å; I64-L105 HydrophobicContact CG2-CG 3.96Å; P89-L105 HydrophobicContact CB-CD1 4.27Å; L90-L105 HydrophobicContact CB-CD1 4.28Å; L90-L105 HydrophobicContact CD1-CB 4.15Å; L90-L105 HydrophobicContact CD1-CD1 4.23Å; A93-L105 HydrophobicContact CB-CD1 4.13Å; A101-L105 VanDerWaalsContact O-CB 3.27Å; A101-L105 WeakPolarHBondContact O-CB 3.21Å; A101-L105 VanDerWaalsContact O-CG 3.27Å; A101-L105 WeakPolarHBondContact O-CG 3.48Å; A101-L105 PolarHBondContact O-N 2.88Å; E103-L105 PolarHBondContact O-N 3.27Å; L105-N109 WeakPolarHBondContact O-CB 3.27Å |
| 106 | L | 78.4 | Confident | 75.2 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -94.1 | -43.4 | 177.8 | -68.5 | 168.5 | 0 | 0 | 0 | 112.4 | L90 V102 E103 S104 N108 N109 Y110 M113 I137 L138 Y141 | L90-L106 HydrophobicContact CD1-CG 4.4Å; L90-L106 HydrophobicContact CD2-CD2 4.18Å; V102-L106 HydrophobicContact CG1-CD1 3.77Å; V102-L106 WeakPolarHBondContact O-CB 3.39Å; V102-L106 WeakPolarHBondContact O-CD1 3.41Å; V102-L106 VanDerWaalsContact O-CG 3.22Å; V102-L106 WeakPolarHBondContact O-CG 3.45Å; V102-L106 PolarHBondContact O-N 2.93Å; V102-L106 VanDerWaalsContact O-N 3.1Å; E103-L106 PolarHBondContact O-N 2.89Å; S104-L106 VanDerWaalsContact C-N 3.32Å; L106-N108 VanDerWaalsContact C-N 3.26Å; L106-N108 PolarHBondContact O-N 3.24Å; L106-N109 CarbonylContact O-C 3.53Å; L106-N109 PolarHBondContact O-N 2.91Å; L106-Y110 PolarHBondContact O-N 3.27Å; L106-M113 HydrophobicContact CD2-CG 4.35Å; L106-I137 HydrophobicContact CD1-CG2 3.82Å; L106-L138 HydrophobicContact CD1-CD2 3.96Å; L106-Y141 HydrophobicContact CB-CD2 3.8Å; L106-Y141 HydrophobicContact CB-CE2 4.27Å; L106-Y141 HydrophobicContact CB-CG 3.97Å; L106-Y141 HydrophobicContact CD1-CD2 3.98Å |
| 107 | Q | 74.5 | Confident | 74.5 | Confident | 90 Ų | 90 | 48.4 Ų | 48.4 | 42% | 0.421 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -53.7 | -41.2 | -179.7 | -85.4 | -178.9 | -7.5 | 0 | 0 | 112.7 | E103 N109 Y141 | E103-Q107 VanDerWaalsContact CD-NE2 3.28Å; E103-Q107 HydrophobicContact CG-CG 3.83Å; E103-Q107 VanDerWaalsContact CG-NE2 3.32Å; E103-Q107 VanDerWaalsContact O-CB 3.27Å; E103-Q107 WeakPolarHBondContact O-CB 3.24Å; E103-Q107 VanDerWaalsContact O-CG 3.31Å; E103-Q107 WeakPolarHBondContact O-CG 3.28Å; E103-Q107 PolarHBondContact O-N 2.94Å; E103-Q107 PolarHBondContact OE1-NE2 3Å; Q107-N109 VanDerWaalsContact C-N 3.35Å; Q107-Y141 HydrophobicContact CG-CE1 4.19Å; Q107-Y141 WeakPolarHBondContact CG-OH 3.34Å |
| 108 | N | 61.1 | Low | 74.5 | Confident | 80 Ų | 80 | 48.8 Ų | 48.8 | 43% | 0.428 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -12.5 | -176.9 | -68.4 | -61.9 | 0 | 0 | 0 | 113 | S104 L106 | S104-N108 PolarHBondContact O-ND2 2.9Å; L106-N108 VanDerWaalsContact C-N 3.26Å; L106-N108 PolarHBondContact O-N 3.24Å |
| 109 | N | 61 | Low | 74.1 | Confident | 17 Ų | 17 | 48.8 Ų | 48.8 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -160.4 | 29.4 | -144.4 | -78.6 | -20.9 | 0 | 0 | 0 | 113 | L105 L106 Q107 E111 L112 | L105-N109 WeakPolarHBondContact O-CB 3.27Å; L106-N109 CarbonylContact O-C 3.53Å; L106-N109 PolarHBondContact O-N 2.91Å; Q107-N109 VanDerWaalsContact C-N 3.35Å; N109-E111 PolarHBondContact O-N 2.98Å; N109-L112 HydrophobicContact CB-CB 3.87Å; N109-L112 HydrophobicContact CB-CD1 3.56Å; N109-L112 HydrophobicContact CB-CG 3.51Å; N109-L112 WeakPolarHBondContact ND2-CD1 3.47Å; N109-L112 VanDerWaalsContact O-CA 3.31Å; N109-L112 WeakPolarHBondContact O-CA 3.2Å; N109-L112 VanDerWaalsContact O-CB 3.29Å; N109-L112 WeakPolarHBondContact O-CB 3.44Å; N109-L112 PolarHBondContact O-N 3.07Å; N109-L112 WeakPolarHBondContact OD1-CD1 3.45Å |
| 110 | Y | 60.6 | Low | 73.7 | Confident | 135 Ų | 135 | 45.3 Ų | 45.3 | 53% | 0.529 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -57.3 | -32.1 | 176.9 | 82.2 | -84.7 | 0 | 0 | 0 | 111.6 | L106 L112 M113 | L106-Y110 PolarHBondContact O-N 3.27Å; Y110-L112 PolarHBondContact O-N 2.84Å; Y110-M113 WeakPolarHBondContact O-CB 3.45Å; Y110-M113 VanDerWaalsContact O-CG 3.3Å; Y110-M113 WeakPolarHBondContact O-CG 3.46Å; Y110-M113 PolarHBondContact O-N 2.84Å |
| 111 | E | 61.7 | Low | 73.3 | Confident | 107 Ų | 107 | 45 Ų | 45 | 50% | 0.5 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -71.2 | -14.5 | 172.2 | -58.1 | 178 | -178.3 | 0 | 0 | 113.3 | F72 N109 M113 | F72-E111 HydrophobicContact CE2-CB 3.84Å; F72-E111 HydrophobicContact CZ-CB 3.65Å; N109-E111 PolarHBondContact O-N 2.98Å; E111-M113 VanDerWaalsContact C-N 3.29Å |
| 112 | L | 61.8 | Low | 73 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -88.5 | 7.9 | 172.5 | -46.6 | -167.5 | 0 | 0 | 0 | 113.3 | F72 L75 Y76 A79 N80 N109 Y110 | F72-L112 HydrophobicContact CD1-CD2 4.37Å; F72-L112 HydrophobicContact CD2-CD2 3.76Å; F72-L112 HydrophobicContact CE1-CD2 3.9Å; F72-L112 HydrophobicContact CE2-CD2 3.23Å; F72-L112 HydrophobicContact CE2-CG 4.33Å; F72-L112 HydrophobicContact CG-CD2 4.31Å; F72-L112 HydrophobicContact CZ-CD2 3.32Å; L75-L112 HydrophobicContact CB-CD1 3.82Å; Y76-L112 HydrophobicContact CD2-CB 4.19Å; Y76-L112 HydrophobicContact CD2-CD2 3.99Å; Y76-L112 HydrophobicContact CG-CD2 4.36Å; A79-L112 HydrophobicContact CB-CB 4.26Å; A79-L112 HydrophobicContact CB-CD1 3.94Å; N80-L112 PolarHBondContact ND2-O 3.43Å; N80-L112 PolarHBondContact OD1-O 2.81Å; N109-L112 HydrophobicContact CB-CB 3.87Å; N109-L112 HydrophobicContact CB-CD1 3.56Å; N109-L112 HydrophobicContact CB-CG 3.51Å; N109-L112 WeakPolarHBondContact ND2-CD1 3.47Å; N109-L112 VanDerWaalsContact O-CA 3.31Å; N109-L112 WeakPolarHBondContact O-CA 3.2Å; N109-L112 VanDerWaalsContact O-CB 3.29Å; N109-L112 WeakPolarHBondContact O-CB 3.44Å; N109-L112 PolarHBondContact O-N 3.07Å; N109-L112 WeakPolarHBondContact OD1-CD1 3.45Å; Y110-L112 PolarHBondContact O-N 2.84Å |
| 113 | M | 67 | Low | 72.6 | Confident | 20 Ų | 20 | 45.1 Ų | 45.1 | 10% | 0.099 | 22% | 0.217 | C | C | . | . | trans | -59.2 | 146 | 173.8 | -79.8 | -160 | 97.5 | 0 | 0 | 111.2 | L106 Y110 E111 Q119 C142 | L106-M113 HydrophobicContact CD2-CG 4.35Å; Y110-M113 WeakPolarHBondContact O-CB 3.45Å; Y110-M113 VanDerWaalsContact O-CG 3.3Å; Y110-M113 WeakPolarHBondContact O-CG 3.46Å; Y110-M113 PolarHBondContact O-N 2.84Å; E111-M113 VanDerWaalsContact C-N 3.29Å; M113-Q119 HydrophobicContact CE-CB 4.43Å; M113-Q119 HydrophobicContact CE-CG 3.62Å; M113-Q119 HydrophobicContact SD-CG 4.21Å; M113-C142 HydrophobicContact CE-CB 4.12Å; M113-C142 VanDerWaalsContact CE-SG 3.53Å; M113-C142 HydrophobicContact SD-CB 3.75Å; M113-C142 PolarHBondContact SD-SG 3.21Å | ||
| 114 | P | 66.5 | Low | 72.4 | Confident | 11 Ų | 11 | 44.9 Ų | 44.9 | 7% | 0.071 | 22% | 0.215 | C | C | . | . | trans | -68.7 | 176 | 173 | 32.7 | -36.1 | 0 | 0 | 0 | 110.3 | N80 E118 Q119 L122 | N80-P114 WeakPolarHBondContact OD1-CB 3.23Å; N80-P114 VanDerWaalsContact OD1-CD 3.32Å; N80-P114 WeakPolarHBondContact OD1-CD 3.43Å; P114-E118 HydrophobicContact CB-CB 3.54Å; P114-E118 HydrophobicContact CB-CG 3.57Å; P114-E118 HydrophobicContact CG-CB 3.61Å; P114-E118 HydrophobicContact CG-CG 3.39Å; P114-Q119 WeakPolarHBondContact O-CG 3.21Å; P114-Q119 PolarHBondContact O-NE2 2.58Å; P114-L122 HydrophobicContact CG-CD1 3.97Å | ||
| 115 | N | 74 | Confident | 72.3 | Confident | 96 Ų | 96 | 46.6 Ų | 46.6 | 51% | 0.513 | 22% | 0.224 | S | C | . | . | trans | -58.1 | 166.3 | 179.3 | 65.7 | 21.9 | 0 | 0 | 0 | 112.8 | E117 E118 Q119 | N115-E117 PolarHBondContact O-N 3.09Å; N115-E117 VanDerWaalsContact O-N 3.1Å; N115-E117 PolarHBondContact OD1-N 3.46Å; N115-E118 PolarHBondContact O-N 3.2Å; N115-E118 VanDerWaalsContact O-N 3.1Å; N115-E118 WeakPolarHBondContact OD1-CB 3.34Å; N115-E118 PolarHBondContact OD1-N 2.99Å; N115-Q119 VanDerWaalsContact O-CG 3.31Å; N115-Q119 WeakPolarHBondContact O-CG 3.41Å; N115-Q119 PolarHBondContact O-N 3.21Å | ||
| 116 | E | 71.3 | Confident | 72.1 | Confident | 104 Ų | 104 | 46.1 Ų | 46.1 | 49% | 0.486 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -52.5 | -34.7 | -178.7 | -171.1 | -175.6 | 157.9 | 0 | 0 | 113.7 | Q119 L120 A148 Q149 | E116-Q119 WeakPolarHBondContact O-CB 3.49Å; E116-L120 WeakPolarHBondContact O-CB 3.21Å; E116-L120 PolarHBondContact O-N 2.83Å; E116-A148 HydrophobicContact CG-CB 3.53Å; E116-A148 WeakPolarHBondContact OE1-CA 3.26Å; E116-A148 WeakPolarHBondContact OE1-CB 3.31Å; E116-Q149 PolarHBondContact OE1-N 3.49Å; E116-Q149 VanDerWaalsContact OE1-N 3.08Å |
| 117 | E | 72.6 | Confident | 72 | Confident | 85 Ų | 85 | 46.7 Ų | 46.7 | 40% | 0.397 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.3 | -47.2 | 177.8 | -179 | 174.8 | -166.2 | 0 | 0 | 112.5 | N115 Q119 L120 T121 P151 | N115-E117 PolarHBondContact O-N 3.09Å; N115-E117 VanDerWaalsContact O-N 3.1Å; N115-E117 PolarHBondContact OD1-N 3.46Å; E117-Q119 VanDerWaalsContact C-N 3.35Å; E117-L120 PolarHBondContact O-N 3.1Å; E117-T121 PolarHBondContact O-N 2.73Å; E117-T121 PolarHBondContact O-OG1 3.17Å; E117-P151 HydrophobicContact CB-CG 3.86Å; E117-P151 HydrophobicContact CG-CG 3.8Å |
| 118 | E | 74.8 | Confident | 72.3 | Confident | 46 Ų | 46 | 50.7 Ų | 50.7 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.9 | -37.7 | 178.2 | -170.9 | 63.2 | -152.4 | 0 | 0 | 110.3 | K91 P114 N115 L120 T121 L122 | K91-E118 WeakPolarHBondContact CD-OE1 3.42Å; K91-E118 IonicContact NZ-OE1 2.83Å; K91-E118 PolarHBondContact NZ-OE1 3.17Å; K91-E118 IonicContact NZ-OE2 3.73Å; P114-E118 HydrophobicContact CB-CB 3.54Å; P114-E118 HydrophobicContact CB-CG 3.57Å; P114-E118 HydrophobicContact CG-CB 3.61Å; P114-E118 HydrophobicContact CG-CG 3.39Å; N115-E118 PolarHBondContact O-N 3.2Å; N115-E118 VanDerWaalsContact O-N 3.1Å; N115-E118 WeakPolarHBondContact OD1-CB 3.34Å; N115-E118 PolarHBondContact OD1-N 2.99Å; E118-L120 PolarHBondContact O-N 2.65Å; E118-T121 CarbonylContact O-C 3.5Å; E118-T121 WeakPolarHBondContact O-CA 3.2Å; E118-T121 VanDerWaalsContact O-CB 3.3Å; E118-T121 WeakPolarHBondContact O-CB 3.48Å; E118-T121 PolarHBondContact O-N 3.18Å; E118-T121 VanDerWaalsContact O-N 3.09Å; E118-L122 VanDerWaalsContact O-CG 3.3Å; E118-L122 WeakPolarHBondContact O-CG 3.42Å; E118-L122 PolarHBondContact O-N 3.09Å |
| 119 | Q | 76.2 | Confident | 73.2 | Confident | 39 Ų | 39 | 50.1 Ų | 50.1 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -53 | -56.3 | 171.5 | -71.5 | -175.8 | 24.8 | 0 | 0 | 110.6 | M113 P114 N115 E116 E117 T121 L122 L123 I145 | M113-Q119 HydrophobicContact CE-CB 4.43Å; M113-Q119 HydrophobicContact CE-CG 3.62Å; M113-Q119 HydrophobicContact SD-CG 4.21Å; P114-Q119 WeakPolarHBondContact O-CG 3.21Å; P114-Q119 PolarHBondContact O-NE2 2.58Å; N115-Q119 VanDerWaalsContact O-CG 3.31Å; N115-Q119 WeakPolarHBondContact O-CG 3.41Å; N115-Q119 PolarHBondContact O-N 3.21Å; E116-Q119 WeakPolarHBondContact O-CB 3.49Å; E117-Q119 VanDerWaalsContact C-N 3.35Å; Q119-T121 PolarHBondContact O-N 2.84Å; Q119-L122 WeakPolarHBondContact O-CA 3.21Å; Q119-L122 WeakPolarHBondContact O-CB 3.45Å; Q119-L122 PolarHBondContact O-N 3.16Å; Q119-L123 PolarHBondContact O-N 2.62Å; Q119-I145 HydrophobicContact CB-CD1 3.58Å; Q119-I145 HydrophobicContact CB-CG1 3.92Å; Q119-I145 VanDerWaalsContact O-CD1 3.26Å; Q119-I145 WeakPolarHBondContact O-CD1 3.37Å |
| 120 | L | 76 | Confident | 73.8 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.3 | -36.4 | 178.1 | -177.5 | 64.8 | 0 | 0 | 0 | 111.6 | E116 E117 E118 L123 K124 H150 I157 | E116-L120 WeakPolarHBondContact O-CB 3.21Å; E116-L120 PolarHBondContact O-N 2.83Å; E117-L120 PolarHBondContact O-N 3.1Å; E118-L120 PolarHBondContact O-N 2.65Å; L120-L123 PolarHBondContact O-N 2.9Å; L120-K124 HydrophobicContact CG-CD 4.49Å; L120-K124 WeakPolarHBondContact O-CB 3.23Å; L120-K124 VanDerWaalsContact O-CG 3.3Å; L120-K124 WeakPolarHBondContact O-CG 3.35Å; L120-K124 PolarHBondContact O-N 3Å; L120-H150 VanDerWaalsContact CD2-CA 3.47Å; L120-H150 HydrophobicContact CD2-CB 3.59Å; L120-I157 HydrophobicContact CD1-CB 4.33Å; L120-I157 HydrophobicContact CD1-CD1 4.41Å |
| 121 | T | 80.3 | Confident | 74.6 | Confident | 44 Ų | 44 | 51.5 Ų | 51.5 | 27% | 0.27 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.4 | -41.2 | 174.7 | -58.7 | 0 | 0 | 0 | 0 | 112.4 | E117 E118 Q119 K124 L125 | E117-T121 PolarHBondContact O-N 2.73Å; E117-T121 PolarHBondContact O-OG1 3.17Å; E118-T121 CarbonylContact O-C 3.5Å; E118-T121 WeakPolarHBondContact O-CA 3.2Å; E118-T121 VanDerWaalsContact O-CB 3.3Å; E118-T121 WeakPolarHBondContact O-CB 3.48Å; E118-T121 PolarHBondContact O-N 3.18Å; E118-T121 VanDerWaalsContact O-N 3.09Å; Q119-T121 PolarHBondContact O-N 2.84Å; T121-K124 PolarHBondContact O-N 3.49Å; T121-L125 WeakPolarHBondContact O-CB 3.21Å; T121-L125 PolarHBondContact O-N 3.39Å |
| 122 | L | 79.8 | Confident | 75.2 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63 | -42.3 | 174.2 | -65.3 | 168.6 | 0 | 0 | 0 | 111.2 | L90 K91 I94 P114 E118 Q119 L125 A126 | L90-L122 HydrophobicContact CD2-CD1 3.65Å; L90-L122 HydrophobicContact CG-CD1 4.12Å; L90-L122 HydrophobicContact CG-CD2 4.4Å; K91-L122 HydrophobicContact CB-CD2 3.67Å; K91-L122 HydrophobicContact CG-CD2 3.9Å; I94-L122 HydrophobicContact CD1-CB 3.79Å; I94-L122 HydrophobicContact CD1-CD2 3.66Å; I94-L122 HydrophobicContact CD1-CG 4.23Å; P114-L122 HydrophobicContact CG-CD1 3.97Å; E118-L122 VanDerWaalsContact O-CG 3.3Å; E118-L122 WeakPolarHBondContact O-CG 3.42Å; E118-L122 PolarHBondContact O-N 3.09Å; Q119-L122 WeakPolarHBondContact O-CA 3.21Å; Q119-L122 WeakPolarHBondContact O-CB 3.45Å; Q119-L122 PolarHBondContact O-N 3.16Å; L122-L125 PolarHBondContact O-N 3.38Å; L122-A126 WeakPolarHBondContact O-CB 3.43Å; L122-A126 PolarHBondContact O-N 2.91Å |
| 123 | L | 77.6 | Confident | 76 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.8 | -47.7 | 177.4 | -164.3 | 80.5 | 0 | 0 | 0 | 111.3 | Q119 L120 L125 A126 L127 L135 L139 I145 I157 | Q119-L123 PolarHBondContact O-N 2.62Å; L120-L123 PolarHBondContact O-N 2.9Å; L123-L125 VanDerWaalsContact C-N 3.29Å; L123-L125 PolarHBondContact O-N 2.71Å; L123-A126 PolarHBondContact O-N 2.69Å; L123-L127 HydrophobicContact CG-CD1 4.27Å; L123-L127 WeakPolarHBondContact O-CB 3.46Å; L123-L127 WeakPolarHBondContact O-CD1 3.32Å; L123-L127 VanDerWaalsContact O-CG 3.3Å; L123-L127 WeakPolarHBondContact O-CG 3.2Å; L123-L127 PolarHBondContact O-N 3.47Å; L123-L135 HydrophobicContact CD1-CD1 3.34Å; L123-L135 HydrophobicContact CG-CD1 4.03Å; L123-L139 HydrophobicContact CD1-CD2 4.03Å; L123-L139 HydrophobicContact CD1-CG 4.5Å; L123-I145 HydrophobicContact CB-CD1 3.86Å; L123-I145 HydrophobicContact CD1-CD1 4.23Å; L123-I145 HydrophobicContact CD1-CG2 4.15Å; L123-I145 HydrophobicContact CD2-CD1 4.39Å; L123-I145 HydrophobicContact CD2-CG2 4.38Å; L123-I145 HydrophobicContact CG-CD1 4.41Å; L123-I157 HydrophobicContact CD2-CB 3.57Å; L123-I157 HydrophobicContact CD2-CD1 3.78Å; L123-I157 HydrophobicContact CD2-CG1 3.45Å; L123-I157 VanDerWaalsContact CD2-CG1 3.45Å; L123-I157 HydrophobicContact CD2-CG2 3.78Å; L123-I157 HydrophobicContact CG-CD1 4.19Å; L123-I157 HydrophobicContact CG-CG1 4.19Å |
| 124 | K | 79.3 | Confident | 76.6 | Confident | 47 Ų | 47 | 53.5 Ų | 53.5 | 20% | 0.204 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.9 | -39.8 | 174.9 | -73.7 | -178.6 | -175.3 | -159 | 0 | 111.9 | L120 T121 L127 K128 I157 E160 | L120-K124 HydrophobicContact CG-CD 4.49Å; L120-K124 WeakPolarHBondContact O-CB 3.23Å; L120-K124 VanDerWaalsContact O-CG 3.3Å; L120-K124 WeakPolarHBondContact O-CG 3.35Å; L120-K124 PolarHBondContact O-N 3Å; T121-K124 PolarHBondContact O-N 3.49Å; K124-L127 PolarHBondContact O-N 2.79Å; K124-K128 WeakPolarHBondContact O-CB 3.48Å; K124-K128 PolarHBondContact O-N 2.98Å; K124-I157 HydrophobicContact CG-CD1 3.65Å; K124-E160 WeakPolarHBondContact CE-OE2 3.27Å; K124-E160 IonicContact NZ-OE1 2.7Å; K124-E160 PolarHBondContact NZ-OE1 3.15Å; K124-E160 IonicContact NZ-OE2 2.72Å; K124-E160 PolarHBondContact NZ-OE2 3.38Å |
| 125 | L | 81.5 | Confident | 77.2 | Confident | 37 Ų | 37 | 53.2 Ų | 53.2 | 19% | 0.194 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.8 | -48.5 | 175.7 | -178.9 | 63.6 | 0 | 0 | 0 | 111.2 | K91 I94 K95 T121 L122 L123 L127 K128 L129 | K91-L125 HydrophobicContact CG-CD2 3.64Å; I94-L125 HydrophobicContact CB-CD2 4.34Å; I94-L125 HydrophobicContact CG2-CB 4.48Å; I94-L125 HydrophobicContact CG2-CD2 4.02Å; I94-L125 HydrophobicContact CG2-CG 3.98Å; K95-L125 HydrophobicContact CB-CD2 4.49Å; T121-L125 WeakPolarHBondContact O-CB 3.21Å; T121-L125 PolarHBondContact O-N 3.39Å; L122-L125 PolarHBondContact O-N 3.38Å; L123-L125 VanDerWaalsContact C-N 3.29Å; L123-L125 PolarHBondContact O-N 2.71Å; L125-L127 VanDerWaalsContact C-N 3.27Å; L125-L127 PolarHBondContact O-N 3.24Å; L125-K128 PolarHBondContact O-N 3.05Å; L125-L129 HydrophobicContact CD1-CD1 4.06Å; L125-L129 HydrophobicContact CD1-CG 4.29Å; L125-L129 HydrophobicContact CG-CD1 3.99Å; L125-L129 VanDerWaalsContact O-CG 3.24Å; L125-L129 WeakPolarHBondContact O-CG 3.32Å; L125-L129 PolarHBondContact O-N 3.11Å |
| 126 | A | 78.2 | Confident | 77.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.3 | -38.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I94 L122 L123 K130 T131 L135 L138 | I94-A126 HydrophobicContact CG2-CB 3.99Å; L122-A126 WeakPolarHBondContact O-CB 3.43Å; L122-A126 PolarHBondContact O-N 2.91Å; L123-A126 PolarHBondContact O-N 2.69Å; A126-K130 PolarHBondContact O-N 3.32Å; A126-T131 PolarHBondContact O-N 3.01Å; A126-T131 PolarHBondContact O-OG1 3.25Å; A126-L135 HydrophobicContact CB-CD1 4.25Å; A126-L138 HydrophobicContact CB-CD1 3.79Å |
| 127 | L | 76.8 | Confident | 78 | Confident | 15 Ų | 15 | 45.1 Ų | 45.1 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.5 | -48.6 | 174.2 | -75.5 | 162.9 | 0 | 0 | 0 | 112.5 | L123 K124 L125 L129 K130 L135 I157 E165 L169 | L123-L127 HydrophobicContact CG-CD1 4.27Å; L123-L127 WeakPolarHBondContact O-CB 3.46Å; L123-L127 WeakPolarHBondContact O-CD1 3.32Å; L123-L127 VanDerWaalsContact O-CG 3.3Å; L123-L127 WeakPolarHBondContact O-CG 3.2Å; L123-L127 PolarHBondContact O-N 3.47Å; K124-L127 PolarHBondContact O-N 2.79Å; L125-L127 VanDerWaalsContact C-N 3.27Å; L125-L127 PolarHBondContact O-N 3.24Å; L127-L129 PolarHBondContact O-N 3.47Å; L127-K130 WeakPolarHBondContact O-CA 3.48Å; L127-K130 PolarHBondContact O-N 2.89Å; L127-L135 HydrophobicContact CD2-CD1 4.46Å; L127-L135 HydrophobicContact CD2-CD2 3.37Å; L127-L135 HydrophobicContact CG-CD1 4.17Å; L127-L135 HydrophobicContact CG-CD2 3.94Å; L127-I157 HydrophobicContact CD1-CD1 3.13Å; L127-I157 HydrophobicContact CD1-CG1 3.26Å; L127-E165 HydrophobicContact CB-CG 4.43Å; L127-E165 HydrophobicContact CD2-CB 3.71Å; L127-E165 HydrophobicContact CD2-CG 3.58Å; L127-L169 HydrophobicContact CD1-CD1 4.14Å; L127-L169 HydrophobicContact CD1-CD2 4.47Å; L127-L169 HydrophobicContact CD2-CD1 4.14Å; L127-L169 HydrophobicContact CD2-CD2 4.31Å; L127-L169 HydrophobicContact CD2-CG 4.24Å |
| 128 | K | 79.8 | Confident | 78.4 | Confident | 174 Ų | 174 | 41.2 Ų | 41.2 | 76% | 0.757 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -58.3 | -34.2 | 178.2 | -176.2 | 177.7 | 179.3 | 179.3 | 0 | 112.2 | K124 L125 K130 | K124-K128 WeakPolarHBondContact O-CB 3.48Å; K124-K128 PolarHBondContact O-N 2.98Å; L125-K128 PolarHBondContact O-N 3.05Å; K128-K130 VanDerWaalsContact C-N 3.25Å; K128-K130 PolarHBondContact O-N 2.88Å |
| 129 | L | 79.8 | Confident | 78.8 | Confident | 67 Ų | 67 | 39.2 Ų | 39.2 | 35% | 0.351 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -5.1 | 177.4 | -63.9 | 172.4 | 0 | 0 | 0 | 113.5 | I94 L125 L127 T131 | I94-L129 HydrophobicContact CG2-CD1 4.02Å; I94-L129 WeakPolarHBondContact O-CD1 3.44Å; L125-L129 HydrophobicContact CD1-CD1 4.06Å; L125-L129 HydrophobicContact CD1-CG 4.29Å; L125-L129 HydrophobicContact CG-CD1 3.99Å; L125-L129 VanDerWaalsContact O-CG 3.24Å; L125-L129 WeakPolarHBondContact O-CG 3.32Å; L125-L129 PolarHBondContact O-N 3.11Å; L127-L129 PolarHBondContact O-N 3.47Å; L129-T131 VanDerWaalsContact C-N 3.27Å; L129-T131 HydrophobicContact CB-CG2 4.31Å; L129-T131 PolarHBondContact O-N 2.91Å |
| 130 | K | 74.5 | Confident | 79.1 | Confident | 152 Ų | 152 | 45.7 Ų | 45.7 | 66% | 0.661 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 38.7 | 178.3 | -57.9 | -178.6 | 178.6 | 179.5 | 0 | 113.5 | A126 L127 K128 P132 | A126-K130 PolarHBondContact O-N 3.32Å; L127-K130 WeakPolarHBondContact O-CA 3.48Å; L127-K130 PolarHBondContact O-N 2.89Å; K128-K130 VanDerWaalsContact C-N 3.25Å; K128-K130 PolarHBondContact O-N 2.88Å; K130-P132 WeakPolarHBondContact O-CD 3.37Å |
| 131 | T | 76.5 | Confident | 79.1 | Confident | 29 Ų | 29 | 48.3 Ų | 48.3 | 18% | 0.178 | 23% | 0.226 | C | C | . | . | trans | -105.9 | 89 | -180 | 54.4 | 0 | 0 | 0 | 0 | 111.1 | A126 L129 E133 K134 L135 | A126-T131 PolarHBondContact O-N 3.01Å; A126-T131 PolarHBondContact O-OG1 3.25Å; L129-T131 VanDerWaalsContact C-N 3.27Å; L129-T131 HydrophobicContact CB-CG2 4.31Å; L129-T131 PolarHBondContact O-N 2.91Å; T131-E133 VanDerWaalsContact C-N 3.26Å; T131-E133 PolarHBondContact O-N 3.47Å; T131-K134 HydrophobicContact CG2-CD 4.42Å; T131-K134 PolarHBondContact O-N 3.43Å; T131-K134 WeakPolarHBondContact OG1-CD 3.46Å; T131-L135 PolarHBondContact O-N 2.91Å; T131-L135 VanDerWaalsContact O-N 3.16Å | ||
| 132 | P | 74.2 | Confident | 78.9 | Confident | 55 Ų | 55 | 46.7 Ų | 46.7 | 36% | 0.357 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.8 | -32.6 | -176.9 | 25.1 | -33.3 | 0 | 0 | 0 | 112.6 | K130 K134 L135 G136 F168 | K130-P132 WeakPolarHBondContact O-CD 3.37Å; P132-K134 PolarHBondContact O-N 3.43Å; P132-L135 PolarHBondContact O-N 3.38Å; P132-G136 PolarHBondContact O-N 3.42Å; P132-F168 HydrophobicContact CB-CD2 3.81Å; P132-F168 HydrophobicContact CB-CE2 3.55Å; P132-F168 HydrophobicContact CB-CZ 4.1Å; P132-F168 WeakPolarHBondContact O-CZ 3.49Å |
| 133 | E | 79.9 | Confident | 78.8 | Confident | 112 Ų | 112 | 49.4 Ų | 49.4 | 52% | 0.523 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.3 | -46.8 | 180 | -58.1 | 76.1 | -167.1 | 0 | 0 | 110.9 | I99 T131 G136 I137 | I99-E133 HydrophobicContact CD1-CB 3.77Å; I99-E133 HydrophobicContact CD1-CG 4.17Å; I99-E133 HydrophobicContact CG1-CB 4.31Å; T131-E133 VanDerWaalsContact C-N 3.26Å; T131-E133 PolarHBondContact O-N 3.47Å; E133-G136 PolarHBondContact O-N 2.83Å; E133-I137 VanDerWaalsContact O-CG1 3.3Å; E133-I137 WeakPolarHBondContact O-CG1 3.19Å; E133-I137 PolarHBondContact O-N 3.44Å |
| 134 | K | 78.9 | Confident | 78.7 | Confident | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.035 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68 | -38.9 | 177.8 | -58.7 | -176.6 | -161.7 | 152.3 | 0 | 111.9 | I94 G97 I99 V102 T131 P132 G136 I137 L138 | I94-K134 PolarHBondContact O-NZ 2.85Å; G97-K134 VanDerWaalsContact CA-CE 3.42Å; G97-K134 WeakPolarHBondContact O-CE 3.32Å; I99-K134 HydrophobicContact CG1-CG 4.37Å; V102-K134 HydrophobicContact CG2-CD 4.49Å; T131-K134 HydrophobicContact CG2-CD 4.42Å; T131-K134 PolarHBondContact O-N 3.43Å; T131-K134 WeakPolarHBondContact OG1-CD 3.46Å; P132-K134 PolarHBondContact O-N 3.43Å; K134-G136 VanDerWaalsContact C-N 3.33Å; K134-I137 PolarHBondContact O-N 3.41Å; K134-L138 WeakPolarHBondContact O-CG 3.49Å; K134-L138 PolarHBondContact O-N 3.48Å |
| 135 | L | 79.3 | Confident | 78.6 | Confident | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 177 | -173.3 | 61.6 | 0 | 0 | 0 | 110.8 | L123 A126 L127 T131 P132 L138 L139 F168 L169 | L123-L135 HydrophobicContact CD1-CD1 3.34Å; L123-L135 HydrophobicContact CG-CD1 4.03Å; A126-L135 HydrophobicContact CB-CD1 4.25Å; L127-L135 HydrophobicContact CD2-CD1 4.46Å; L127-L135 HydrophobicContact CD2-CD2 3.37Å; L127-L135 HydrophobicContact CG-CD1 4.17Å; L127-L135 HydrophobicContact CG-CD2 3.94Å; T131-L135 PolarHBondContact O-N 2.91Å; T131-L135 VanDerWaalsContact O-N 3.16Å; P132-L135 PolarHBondContact O-N 3.38Å; L135-L138 PolarHBondContact O-N 3.5Å; L135-L139 HydrophobicContact CD1-CD1 4.49Å; L135-L139 HydrophobicContact CG-CD1 4.15Å; L135-L139 WeakPolarHBondContact O-CB 3.45Å; L135-L139 VanDerWaalsContact O-CG 3.27Å; L135-L139 WeakPolarHBondContact O-CG 3.35Å; L135-L139 PolarHBondContact O-N 3.31Å; L135-F168 HydrophobicContact CB-CD1 4.35Å; L135-F168 HydrophobicContact CB-CE1 3.71Å; L135-F168 HydrophobicContact CB-CZ 4.31Å; L135-F168 HydrophobicContact CD2-CD1 3.29Å; L135-F168 HydrophobicContact CD2-CE1 3.5Å; L135-F168 HydrophobicContact CD2-CG 4.3Å; L135-F168 HydrophobicContact CG-CD1 3.83Å; L135-F168 HydrophobicContact CG-CE1 3.48Å; L135-F168 VanDerWaalsContact CG-CE1 3.48Å; L135-L169 HydrophobicContact CD1-CD2 4.32Å; L135-L169 HydrophobicContact CD2-CD2 4.01Å; L135-L169 HydrophobicContact CG-CD2 4.44Å |
| 136 | G | 81.3 | Confident | 78.6 | Confident | 8 Ų | 8 | 52.5 Ų | 52.5 | 8% | 0.082 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.3 | -40.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P132 E133 K134 L139 R140 Y172 | P132-G136 PolarHBondContact O-N 3.42Å; E133-G136 PolarHBondContact O-N 2.83Å; K134-G136 VanDerWaalsContact C-N 3.33Å; G136-L139 PolarHBondContact O-N 3.41Å; G136-R140 VanDerWaalsContact O-CB 3.3Å; G136-R140 WeakPolarHBondContact O-CB 3.23Å; G136-R140 PolarHBondContact O-N 3.09Å; G136-Y172 WeakPolarHBondContact CA-OH 3.13Å |
| 137 | I | 81.3 | Confident | 78.8 | Confident | 22 Ų | 22 | 56.7 Ų | 56.7 | 11% | 0.113 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.4 | -48.9 | 173.5 | -68.2 | 163.9 | 0 | 0 | 0 | 110.6 | I99 V102 E103 L106 E133 K134 L139 R140 Y141 | I99-I137 HydrophobicContact CG2-CD1 3.59Å; V102-I137 HydrophobicContact CG1-CG2 3.97Å; E103-I137 HydrophobicContact CB-CD1 4.49Å; E103-I137 HydrophobicContact CB-CG2 4.29Å; L106-I137 HydrophobicContact CD1-CG2 3.82Å; E133-I137 VanDerWaalsContact O-CG1 3.3Å; E133-I137 WeakPolarHBondContact O-CG1 3.19Å; E133-I137 PolarHBondContact O-N 3.44Å; K134-I137 PolarHBondContact O-N 3.41Å; I137-L139 VanDerWaalsContact C-N 3.33Å; I137-L139 PolarHBondContact O-N 2.86Å; I137-R140 PolarHBondContact O-N 3.37Å; I137-Y141 HydrophobicContact CG2-CD2 3.98Å; I137-Y141 HydrophobicContact CG2-CE2 3.95Å; I137-Y141 VanDerWaalsContact O-CD2 3.24Å; I137-Y141 WeakPolarHBondContact O-CD2 3.27Å; I137-Y141 PolarHBondContact O-N 3.15Å |
| 138 | L | 81.1 | Confident | 79.2 | Confident | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.9 | -46.2 | 176.6 | -72.4 | 166.4 | 0 | 0 | 0 | 111.7 | I94 L106 A126 K134 L135 R140 Y141 C142 | I94-L138 HydrophobicContact CD1-CD1 3.81Å; I94-L138 HydrophobicContact CD1-CD2 4.23Å; L106-L138 HydrophobicContact CD1-CD2 3.96Å; A126-L138 HydrophobicContact CB-CD1 3.79Å; K134-L138 WeakPolarHBondContact O-CG 3.49Å; K134-L138 PolarHBondContact O-N 3.48Å; L135-L138 PolarHBondContact O-N 3.5Å; L138-R140 VanDerWaalsContact C-N 3.34Å; L138-R140 PolarHBondContact O-N 3.03Å; L138-Y141 PolarHBondContact O-N 3.39Å; L138-C142 WeakPolarHBondContact O-CA 3.49Å; L138-C142 WeakPolarHBondContact O-CB 3.46Å; L138-C142 PolarHBondContact O-N 3.47Å; L138-C142 PolarHBondContact O-SG 3.05Å; L138-C142 VanDerWaalsContact O-SG 3.32Å |
| 139 | L | 81.6 | Confident | 79.5 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.6 | -29.7 | -179.8 | -68.1 | 173.7 | 0 | 0 | 0 | 113.2 | L123 L135 G136 I137 P143 I145 L146 F168 L169 Y172 | L123-L139 HydrophobicContact CD1-CD2 4.03Å; L123-L139 HydrophobicContact CD1-CG 4.5Å; L135-L139 HydrophobicContact CD1-CD1 4.49Å; L135-L139 HydrophobicContact CG-CD1 4.15Å; L135-L139 WeakPolarHBondContact O-CB 3.45Å; L135-L139 VanDerWaalsContact O-CG 3.27Å; L135-L139 WeakPolarHBondContact O-CG 3.35Å; L135-L139 PolarHBondContact O-N 3.31Å; G136-L139 PolarHBondContact O-N 3.41Å; I137-L139 VanDerWaalsContact C-N 3.33Å; I137-L139 PolarHBondContact O-N 2.86Å; L139-P143 WeakPolarHBondContact O-CA 3.4Å; L139-P143 WeakPolarHBondContact O-CD 3.33Å; L139-I145 HydrophobicContact CD2-CG2 3.92Å; L139-L146 HydrophobicContact CD2-CD1 4.13Å; L139-L146 HydrophobicContact CD2-CD2 3.53Å; L139-L146 HydrophobicContact CD2-CG 3.67Å; L139-F168 HydrophobicContact CD1-CE1 4.08Å; L139-L169 HydrophobicContact CD1-CD2 4.18Å; L139-Y172 HydrophobicContact CB-CD1 3.8Å; L139-Y172 HydrophobicContact CB-CE1 4.12Å; L139-Y172 HydrophobicContact CB-CG 4.04Å; L139-Y172 HydrophobicContact CD1-CD1 4.28Å; L139-Y172 HydrophobicContact CD1-CD2 3.53Å; L139-Y172 HydrophobicContact CD1-CE2 4.06Å; L139-Y172 HydrophobicContact CD1-CG 3.68Å; L139-Y172 HydrophobicContact CG-CG 4.47Å |
| 140 | R | 82.5 | Confident | 79.7 | Confident | 175 Ų | 175 | 50.2 Ų | 50.2 | 66% | 0.66 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -65.8 | -42.3 | 175.6 | 179.6 | -178.2 | 176.2 | -165.4 | -1.7 | 112 | G136 I137 L138 | G136-R140 VanDerWaalsContact O-CB 3.3Å; G136-R140 WeakPolarHBondContact O-CB 3.23Å; G136-R140 PolarHBondContact O-N 3.09Å; I137-R140 PolarHBondContact O-N 3.37Å; L138-R140 VanDerWaalsContact C-N 3.34Å; L138-R140 PolarHBondContact O-N 3.03Å |
| 141 | Y | 77.1 | Confident | 80.2 | Confident | 58 Ų | 58 | 45.7 Ų | 45.7 | 23% | 0.227 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -85.1 | -25.5 | 178.7 | -69.3 | -76.9 | 0 | 0 | 0 | 112.2 | E103 L106 Q107 I137 L138 | E103-Y141 HydrophobicContact CG-CE2 4.48Å; L106-Y141 HydrophobicContact CB-CD2 3.8Å; L106-Y141 HydrophobicContact CB-CE2 4.27Å; L106-Y141 HydrophobicContact CB-CG 3.97Å; L106-Y141 HydrophobicContact CD1-CD2 3.98Å; Q107-Y141 HydrophobicContact CG-CE1 4.19Å; Q107-Y141 WeakPolarHBondContact CG-OH 3.34Å; I137-Y141 HydrophobicContact CG2-CD2 3.98Å; I137-Y141 HydrophobicContact CG2-CE2 3.95Å; I137-Y141 VanDerWaalsContact O-CD2 3.24Å; I137-Y141 WeakPolarHBondContact O-CD2 3.27Å; I137-Y141 PolarHBondContact O-N 3.15Å; L138-Y141 PolarHBondContact O-N 3.39Å |
| 142 | C | 76 | Confident | 80.7 | Confident | 10 Ų | 10 | 52.3 Ų | 52.3 | 7% | 0.068 | 25% | 0.25 | C | C | . | . | trans | -137.3 | 57.5 | -166.5 | -33.7 | 0 | 0 | 0 | 0 | 111.9 | M113 L138 E144 I145 | M113-C142 HydrophobicContact CE-CB 4.12Å; M113-C142 VanDerWaalsContact CE-SG 3.53Å; M113-C142 HydrophobicContact SD-CB 3.75Å; M113-C142 PolarHBondContact SD-SG 3.21Å; L138-C142 WeakPolarHBondContact O-CA 3.49Å; L138-C142 WeakPolarHBondContact O-CB 3.46Å; L138-C142 PolarHBondContact O-N 3.47Å; L138-C142 PolarHBondContact O-SG 3.05Å; L138-C142 VanDerWaalsContact O-SG 3.32Å; C142-E144 VanDerWaalsContact C-N 3.27Å; C142-E144 PolarHBondContact O-N 3.18Å; C142-I145 WeakPolarHBondContact O-CB 3.33Å; C142-I145 WeakPolarHBondContact O-CG2 3.01Å; C142-I145 PolarHBondContact O-N 3.19Å | ||
| 143 | P | 78.1 | Confident | 81.4 | Confident | 57 Ų | 57 | 52.4 Ų | 52.4 | 37% | 0.37 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -64.4 | -29.7 | -176 | 25.8 | -34.5 | 0 | 0 | 0 | 113.3 | L139 I145 L146 | L139-P143 WeakPolarHBondContact O-CA 3.4Å; L139-P143 WeakPolarHBondContact O-CD 3.33Å; P143-I145 PolarHBondContact O-N 2.91Å; P143-I145 VanDerWaalsContact O-N 3.13Å; P143-L146 WeakPolarHBondContact O-CB 3.45Å; P143-L146 WeakPolarHBondContact O-CG 3.27Å; P143-L146 PolarHBondContact O-N 3.04Å; P143-L146 VanDerWaalsContact O-N 3.16Å |
| 144 | E | 75.7 | Confident | 81.9 | Confident | 138 Ų | 138 | 47.2 Ų | 47.2 | 65% | 0.645 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -60.2 | -24.5 | -179.1 | -59.7 | -53.5 | 145.1 | 0 | 0 | 113.4 | C142 L146 K147 | C142-E144 VanDerWaalsContact C-N 3.27Å; C142-E144 PolarHBondContact O-N 3.18Å; E144-L146 PolarHBondContact O-N 3.08Å; E144-L146 VanDerWaalsContact O-N 3.08Å; E144-K147 WeakPolarHBondContact O-CB 3.35Å; E144-K147 PolarHBondContact O-N 3.32Å |
| 145 | I | 76 | Confident | 82.4 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -59.1 | -23 | 177.6 | -160.2 | -179.8 | 0 | 0 | 0 | 113.3 | Q119 L123 L139 C142 P143 K147 A148 | Q119-I145 HydrophobicContact CB-CD1 3.58Å; Q119-I145 HydrophobicContact CB-CG1 3.92Å; Q119-I145 VanDerWaalsContact O-CD1 3.26Å; Q119-I145 WeakPolarHBondContact O-CD1 3.37Å; L123-I145 HydrophobicContact CB-CD1 3.86Å; L123-I145 HydrophobicContact CD1-CD1 4.23Å; L123-I145 HydrophobicContact CD1-CG2 4.15Å; L123-I145 HydrophobicContact CD2-CD1 4.39Å; L123-I145 HydrophobicContact CD2-CG2 4.38Å; L123-I145 HydrophobicContact CG-CD1 4.41Å; L139-I145 HydrophobicContact CD2-CG2 3.92Å; C142-I145 WeakPolarHBondContact O-CB 3.33Å; C142-I145 WeakPolarHBondContact O-CG2 3.01Å; C142-I145 PolarHBondContact O-N 3.19Å; P143-I145 PolarHBondContact O-N 2.91Å; P143-I145 VanDerWaalsContact O-N 3.13Å; I145-K147 PolarHBondContact O-N 3.21Å; I145-A148 HydrophobicContact CG1-CB 4.31Å; I145-A148 WeakPolarHBondContact O-CB 3.23Å; I145-A148 PolarHBondContact O-N 3.06Å |
| 146 | L | 82.9 | Confident | 82.9 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -62.1 | -25.8 | 176.6 | -71.4 | 178.9 | 0 | 0 | 0 | 112 | L139 P143 E144 I157 F158 L169 T178 | L139-L146 HydrophobicContact CD2-CD1 4.13Å; L139-L146 HydrophobicContact CD2-CD2 3.53Å; L139-L146 HydrophobicContact CD2-CG 3.67Å; P143-L146 WeakPolarHBondContact O-CB 3.45Å; P143-L146 WeakPolarHBondContact O-CG 3.27Å; P143-L146 PolarHBondContact O-N 3.04Å; P143-L146 VanDerWaalsContact O-N 3.16Å; E144-L146 PolarHBondContact O-N 3.08Å; E144-L146 VanDerWaalsContact O-N 3.08Å; L146-I157 HydrophobicContact CD2-CG2 4.15Å; L146-F158 HydrophobicContact CB-CE2 4.05Å; L146-F158 HydrophobicContact CB-CZ 4.46Å; L146-F158 HydrophobicContact CD2-CE2 4.08Å; L146-F158 HydrophobicContact CD2-CZ 3.91Å; L146-L169 HydrophobicContact CD2-CD2 4.1Å; L146-T178 HydrophobicContact CB-CG2 4.48Å; L146-T178 WeakPolarHBondContact O-CG2 3.18Å |
| 147 | K | 82.3 | Confident | 83.1 | Confident | 89 Ų | 89 | 47.1 Ų | 47.1 | 39% | 0.387 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -89.1 | -11.3 | 176.5 | -63.8 | -179.7 | 173.1 | -169.2 | 0 | 113.1 | E144 I145 D175 T178 | E144-K147 WeakPolarHBondContact O-CB 3.35Å; E144-K147 PolarHBondContact O-N 3.32Å; I145-K147 PolarHBondContact O-N 3.21Å; K147-D175 WeakPolarHBondContact CE-OD2 3.34Å; K147-D175 IonicContact NZ-OD2 3.04Å; K147-D175 PolarHBondContact NZ-OD2 3.14Å; K147-T178 WeakPolarHBondContact CE-OG1 3.4Å; K147-T178 HydrophobicContact CG-CG2 3.88Å |
| 148 | A | 84 | Confident | 83.6 | Confident | 3 Ų | 3 | 46 Ų | 46 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | trans | -62.7 | 138.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E116 I145 T156 | E116-A148 HydrophobicContact CG-CB 3.53Å; E116-A148 WeakPolarHBondContact OE1-CA 3.26Å; E116-A148 WeakPolarHBondContact OE1-CB 3.31Å; I145-A148 HydrophobicContact CG1-CB 4.31Å; I145-A148 WeakPolarHBondContact O-CB 3.23Å; I145-A148 PolarHBondContact O-N 3.06Å; A148-T156 WeakPolarHBondContact O-CA 3.41Å | ||
| 149 | Q | 86.1 | Confident | 84.1 | Confident | 77 Ų | 77 | 46 Ų | 46 | 36% | 0.36 | 22% | 0.219 | S | C | . | . | trans | -110.7 | 132.7 | -179.9 | -65.8 | -167.1 | -78.7 | 0 | 0 | 111.6 | E116 G154 T156 V181 L182 | E116-Q149 PolarHBondContact OE1-N 3.49Å; E116-Q149 VanDerWaalsContact OE1-N 3.08Å; Q149-G154 PolarHBondContact NE2-O 2.74Å; Q149-T156 HydrophobicContact CG-CG2 3.93Å; Q149-V181 HydrophobicContact CG-CG1 4.1Å; Q149-L182 PolarHBondContact NE2-O 3.41Å | ||
| 150 | H | 85.5 | Confident | 84.3 | Confident | 40 Ų | 40 | 49.9 Ų | 49.9 | 19% | 0.185 | 24% | 0.238 | C | C | . | . | trans | -61.3 | 126.8 | 176.3 | -174.9 | -98.4 | 0 | 0 | 0 | 111.1 | L120 K152 T153 G154 C155 | L120-H150 VanDerWaalsContact CD2-CA 3.47Å; L120-H150 HydrophobicContact CD2-CB 3.59Å; H150-K152 VanDerWaalsContact C-N 3.26Å; H150-K152 PolarHBondContact ND1-N 2.9Å; H150-K152 PolarHBondContact O-N 2.73Å; H150-K152 VanDerWaalsContact O-N 3.08Å; H150-T153 WeakPolarHBondContact CB-OG1 3.41Å; H150-T153 PolarHBondContact ND1-N 3.24Å; H150-T153 PolarHBondContact ND1-OG1 3.02Å; H150-T153 VanDerWaalsContact ND1-OG1 3.09Å; H150-T153 PolarHBondContact O-N 3.33Å; H150-G154 WeakPolarHBondContact O-CA 3.28Å; H150-G154 PolarHBondContact O-N 2.92Å; H150-C155 WeakPolarHBondContact CB-O 3.32Å; H150-C155 PolarHBondContact N-O 3.45Å | ||
| 151 | P | 84.2 | Confident | 84.3 | Confident | 56 Ų | 56 | 41.9 Ų | 41.9 | 36% | 0.364 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -32.5 | -170.6 | -29.5 | 36 | 0 | 0 | 0 | 114.8 | E117 K184 | E117-P151 HydrophobicContact CB-CG 3.86Å; E117-P151 HydrophobicContact CG-CG 3.8Å; P151-K184 WeakPolarHBondContact O-CE 3.21Å; P151-K184 PolarHBondContact O-NZ 2.77Å |
| 152 | K | 87 | Confident | 84.6 | Confident | 168 Ų | 168 | 42.7 Ų | 42.7 | 73% | 0.73 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -34.8 | -178.6 | -62.2 | -177.7 | 178.9 | 175.5 | 0 | 113.8 | H150 K184 | H150-K152 VanDerWaalsContact C-N 3.26Å; H150-K152 PolarHBondContact ND1-N 2.9Å; H150-K152 PolarHBondContact O-N 2.73Å; H150-K152 VanDerWaalsContact O-N 3.08Å; K152-K184 WeakPolarHBondContact O-CD 3.44Å |
| 153 | T | 88.9 | Confident | 84.7 | Confident | 57 Ų | 57 | 43.9 Ų | 43.9 | 35% | 0.35 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -17.9 | -168.9 | 56.9 | 0 | 0 | 0 | 0 | 113 | H150 C155 N183 K184 | H150-T153 WeakPolarHBondContact CB-OG1 3.41Å; H150-T153 PolarHBondContact ND1-N 3.24Å; H150-T153 PolarHBondContact ND1-OG1 3.02Å; H150-T153 VanDerWaalsContact ND1-OG1 3.09Å; H150-T153 PolarHBondContact O-N 3.33Å; T153-C155 PolarHBondContact O-N 3.3Å; T153-C155 PolarHBondContact OG1-N 2.84Å; T153-N183 WeakPolarHBondContact O-CB 3.33Å; T153-K184 WeakPolarHBondContact O-CB 3.24Å; T153-K184 PolarHBondContact O-N 3.01Å |
| 154 | G | 90 | Very high | 84.7 | Confident | 4 Ų | 4 | 49 Ų | 49 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | trans | 70.3 | 3.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q149 H150 T156 N183 | Q149-G154 PolarHBondContact NE2-O 2.74Å; H150-G154 WeakPolarHBondContact O-CA 3.28Å; H150-G154 PolarHBondContact O-N 2.92Å; G154-T156 PolarHBondContact O-N 3.34Å; G154-N183 WeakPolarHBondContact O-CA 3.38Å | ||
| 155 | C | 89.7 | Confident | 84.8 | Confident | 16 Ų | 16 | 43.7 Ų | 43.7 | 11% | 0.108 | 22% | 0.217 | C | C | . | . | trans | -70.7 | 128.9 | -178.4 | -67.9 | 0 | 0 | 0 | 0 | 110.5 | H150 T153 H159 E160 | H150-C155 WeakPolarHBondContact CB-O 3.32Å; H150-C155 PolarHBondContact N-O 3.45Å; T153-C155 PolarHBondContact O-N 3.3Å; T153-C155 PolarHBondContact OG1-N 2.84Å; C155-H159 HydrophobicContact CB-CB 4Å; C155-E160 HydrophobicContact CB-CG 4.49Å | ||
| 156 | T | 88.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -80.6 | 169.8 | 163.4 | 68.1 | 0 | 0 | 0 | 0 | 110.3 | A148 Q149 G154 F158 H159 V181 | A148-T156 WeakPolarHBondContact O-CA 3.41Å; Q149-T156 HydrophobicContact CG-CG2 3.93Å; G154-T156 PolarHBondContact O-N 3.34Å; T156-F158 PolarHBondContact O-N 3.09Å; T156-F158 PolarHBondContact OG1-N 2.92Å; T156-H159 PolarHBondContact N-ND1 2.85Å; T156-H159 VanDerWaalsContact N-ND1 3.13Å; T156-H159 WeakPolarHBondContact O-CB 3.41Å; T156-H159 PolarHBondContact O-N 3.44Å; T156-H159 PolarHBondContact OG1-ND1 3.29Å; T156-V181 HydrophobicContact CG2-CB 4.04Å; T156-V181 HydrophobicContact CG2-CG1 3.73Å; T156-V181 HydrophobicContact CG2-CG2 4.5Å | ||
| 157 | I | 87.1 | Confident | 85 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.3 | -31.5 | 176.1 | -161.3 | 69.4 | 0 | 0 | 0 | 113.5 | L120 L123 K124 L127 L146 H159 E160 A161 L169 | L120-I157 HydrophobicContact CD1-CB 4.33Å; L120-I157 HydrophobicContact CD1-CD1 4.41Å; L123-I157 HydrophobicContact CD2-CB 3.57Å; L123-I157 HydrophobicContact CD2-CD1 3.78Å; L123-I157 HydrophobicContact CD2-CG1 3.45Å; L123-I157 VanDerWaalsContact CD2-CG1 3.45Å; L123-I157 HydrophobicContact CD2-CG2 3.78Å; L123-I157 HydrophobicContact CG-CD1 4.19Å; L123-I157 HydrophobicContact CG-CG1 4.19Å; K124-I157 HydrophobicContact CG-CD1 3.65Å; L127-I157 HydrophobicContact CD1-CD1 3.13Å; L127-I157 HydrophobicContact CD1-CG1 3.26Å; L146-I157 HydrophobicContact CD2-CG2 4.15Å; I157-H159 VanDerWaalsContact C-N 3.29Å; I157-H159 PolarHBondContact O-N 2.92Å; I157-E160 PolarHBondContact O-N 2.99Å; I157-A161 WeakPolarHBondContact O-CB 3.46Å; I157-A161 PolarHBondContact O-N 3.18Å; I157-L169 HydrophobicContact CG1-CD1 3.85Å; I157-L169 HydrophobicContact CG2-CD1 4.09Å |
| 158 | F | 90.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68 | -25.6 | 178.4 | -63.7 | -76.5 | 0 | 0 | 0 | 113.3 | L146 T156 E160 L166 L169 L170 L173 T178 L179 P189 | L146-F158 HydrophobicContact CB-CE2 4.05Å; L146-F158 HydrophobicContact CB-CZ 4.46Å; L146-F158 HydrophobicContact CD2-CE2 4.08Å; L146-F158 HydrophobicContact CD2-CZ 3.91Å; T156-F158 PolarHBondContact O-N 3.09Å; T156-F158 PolarHBondContact OG1-N 2.92Å; F158-E160 VanDerWaalsContact C-N 3.29Å; F158-E160 PolarHBondContact O-N 2.86Å; F158-L166 HydrophobicContact CD1-CD1 3.65Å; F158-L166 HydrophobicContact CE1-CD1 4.25Å; F158-L169 HydrophobicContact CE1-CB 3.82Å; F158-L169 HydrophobicContact CZ-CB 4.36Å; F158-L170 HydrophobicContact CD1-CD2 4.34Å; F158-L170 HydrophobicContact CE1-CD2 3.93Å; F158-L170 HydrophobicContact CE1-CG 4.38Å; F158-L173 HydrophobicContact CE2-CD1 4.41Å; F158-L173 HydrophobicContact CZ-CD1 3.99Å; F158-T178 HydrophobicContact CD2-CG2 4.02Å; F158-T178 HydrophobicContact CE2-CG2 3.61Å; F158-L179 HydrophobicContact CB-CD2 4.4Å; F158-L179 HydrophobicContact CD1-CD2 3.66Å; F158-L179 HydrophobicContact CD2-CD2 4.31Å; F158-L179 HydrophobicContact CE1-CD2 3.93Å; F158-L179 HydrophobicContact CG-CD2 3.87Å; F158-L179 HydrophobicContact CZ-CD2 4.36Å; F158-P189 HydrophobicContact CB-CB 4.08Å; F158-P189 HydrophobicContact CB-CG 3.8Å |
| 159 | H | 91.2 | Very high | 84.9 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.5 | -30.8 | 174.1 | -68.7 | 80.8 | 0 | 0 | 0 | 112.3 | C155 T156 I157 V181 Y187 T188 P189 K196 | C155-H159 HydrophobicContact CB-CB 4Å; T156-H159 PolarHBondContact N-ND1 2.85Å; T156-H159 VanDerWaalsContact N-ND1 3.13Å; T156-H159 WeakPolarHBondContact O-CB 3.41Å; T156-H159 PolarHBondContact O-N 3.44Å; T156-H159 PolarHBondContact OG1-ND1 3.29Å; I157-H159 VanDerWaalsContact C-N 3.29Å; I157-H159 PolarHBondContact O-N 2.92Å; H159-V181 PolarHBondContact CE1-O 2.89Å; H159-V181 PolarHBondContact NE2-O 3.35Å; H159-Y187 PolarHBondContact NE2-O 3.28Å; H159-T188 VanDerWaalsContact NE2-C 3.34Å; H159-P189 VanDerWaalsContact CE1-CD 3.47Å; H159-P189 WeakPolarHBondContact CE1-CD 3.43Å; H159-P189 WeakPolarHBondContact NE2-CD 3.48Å; H159-K196 PolarHBondContact O-NZ 3.03Å |
| 160 | E | 85.7 | Confident | 84.8 | Confident | 85 Ų | 85 | 39.3 Ų | 39.3 | 40% | 0.397 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -103.3 | -21.9 | -171.5 | -65.8 | -179.5 | -162.1 | 0 | 0 | 113.2 | K124 C155 I157 F158 | K124-E160 WeakPolarHBondContact CE-OE2 3.27Å; K124-E160 IonicContact NZ-OE1 2.7Å; K124-E160 PolarHBondContact NZ-OE1 3.15Å; K124-E160 IonicContact NZ-OE2 2.72Å; K124-E160 PolarHBondContact NZ-OE2 3.38Å; C155-E160 HydrophobicContact CB-CG 4.49Å; I157-E160 PolarHBondContact O-N 2.99Å; F158-E160 VanDerWaalsContact C-N 3.29Å; F158-E160 PolarHBondContact O-N 2.86Å |
| 161 | A | 83.7 | Confident | 84.5 | Confident | 7 Ų | 7 | 40.4 Ų | 40.4 | 6% | 0.058 | 21% | 0.207 | C | C | . | . | trans | -59 | 138.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I157 L166 L169 | I157-A161 WeakPolarHBondContact O-CB 3.46Å; I157-A161 PolarHBondContact O-N 3.18Å; A161-L166 HydrophobicContact CB-CB 3.96Å; A161-L166 HydrophobicContact CB-CD1 4.31Å; A161-L169 HydrophobicContact CB-CD1 3.8Å | ||
| 162 | N | 82.8 | Confident | 84.3 | Confident | 76 Ų | 76 | 41.9 Ų | 41.9 | 41% | 0.406 | 21% | 0.206 | S | C | . | . | trans | -89.9 | 176.5 | 169.2 | 75.5 | 57.9 | 0 | 0 | 0 | 110.6 | K164 E165 L166 | N162-K164 PolarHBondContact O-N 3.34Å; N162-K164 PolarHBondContact OD1-N 2.87Å; N162-E165 VanDerWaalsContact CG-OE2 3.31Å; N162-E165 PolarHBondContact ND2-OE1 2.99Å; N162-E165 PolarHBondContact ND2-OE2 2.95Å; N162-E165 PolarHBondContact O-N 3.48Å; N162-E165 VanDerWaalsContact OD1-CD 3.31Å; N162-E165 PolarHBondContact OD1-OE2 3.27Å; N162-L166 WeakPolarHBondContact O-CA 3.4Å; N162-L166 WeakPolarHBondContact O-CB 3.47Å; N162-L166 PolarHBondContact O-N 2.92Å | ||
| 163 | S | 79.3 | Confident | 84 | Confident | 35 Ų | 35 | 35.3 Ų | 35.3 | 25% | 0.245 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -54 | -47.4 | -170.8 | -173.8 | 0 | 0 | 0 | 0 | 115.6 | L167 A201 V202 K205 | S163-L167 PolarHBondContact O-N 3.34Å; S163-A201 WeakPolarHBondContact OG-CB 3.38Å; S163-V202 VanDerWaalsContact CA-CG2 3.44Å; S163-K205 PolarHBondContact OG-NZ 3.43Å |
| 164 | K | 77.1 | Confident | 83.3 | Confident | 165 Ų | 165 | 38.8 Ų | 38.8 | 72% | 0.717 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -73.7 | -46.6 | -174.7 | -179.8 | -176.9 | -178.4 | -179.8 | 0 | 110.4 | N162 L166 L167 F168 | N162-K164 PolarHBondContact O-N 3.34Å; N162-K164 PolarHBondContact OD1-N 2.87Å; K164-L166 VanDerWaalsContact C-N 3.34Å; K164-L166 PolarHBondContact O-N 3.39Å; K164-L167 PolarHBondContact O-N 3.4Å; K164-F168 PolarHBondContact O-N 2.9Å |
| 165 | E | 77.2 | Confident | 82.9 | Confident | 25 Ų | 25 | 40.9 Ų | 40.9 | 12% | 0.117 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 176.6 | -83.8 | 81.8 | 141.5 | 0 | 0 | 111.3 | L127 N162 L167 F168 L169 | L127-E165 HydrophobicContact CB-CG 4.43Å; L127-E165 HydrophobicContact CD2-CB 3.71Å; L127-E165 HydrophobicContact CD2-CG 3.58Å; N162-E165 VanDerWaalsContact CG-OE2 3.31Å; N162-E165 PolarHBondContact ND2-OE1 2.99Å; N162-E165 PolarHBondContact ND2-OE2 2.95Å; N162-E165 PolarHBondContact O-N 3.48Å; N162-E165 VanDerWaalsContact OD1-CD 3.31Å; N162-E165 PolarHBondContact OD1-OE2 3.27Å; E165-L167 PolarHBondContact O-N 3.38Å; E165-F168 WeakPolarHBondContact O-CB 3.43Å; E165-F168 PolarHBondContact O-N 3.31Å; E165-L169 WeakPolarHBondContact O-CG 3.38Å; E165-L169 PolarHBondContact O-N 2.89Å |
| 166 | L | 83 | Confident | 82.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61 | -45 | 177.9 | 175.9 | 63.1 | 0 | 0 | 0 | 111.4 | F158 A161 N162 K164 F168 L169 L170 V202 K205 L206 | F158-L166 HydrophobicContact CD1-CD1 3.65Å; F158-L166 HydrophobicContact CE1-CD1 4.25Å; A161-L166 HydrophobicContact CB-CB 3.96Å; A161-L166 HydrophobicContact CB-CD1 4.31Å; N162-L166 WeakPolarHBondContact O-CA 3.4Å; N162-L166 WeakPolarHBondContact O-CB 3.47Å; N162-L166 PolarHBondContact O-N 2.92Å; K164-L166 VanDerWaalsContact C-N 3.34Å; K164-L166 PolarHBondContact O-N 3.39Å; L166-F168 VanDerWaalsContact C-N 3.26Å; L166-F168 PolarHBondContact O-N 2.9Å; L166-L169 PolarHBondContact O-N 2.86Å; L166-L170 HydrophobicContact CD1-CD1 3.76Å; L166-L170 HydrophobicContact CD1-CD2 4.17Å; L166-L170 HydrophobicContact CD1-CG 3.73Å; L166-L170 HydrophobicContact CD2-CD1 4.18Å; L166-L170 HydrophobicContact CG-CD1 3.56Å; L166-L170 HydrophobicContact CG-CG 4.03Å; L166-L170 WeakPolarHBondContact O-CB 3.31Å; L166-L170 WeakPolarHBondContact O-CG 3.15Å; L166-L170 PolarHBondContact O-N 2.8Å; L166-V202 HydrophobicContact CD2-CB 4.28Å; L166-V202 HydrophobicContact CD2-CG1 3.71Å; L166-V202 HydrophobicContact CD2-CG2 4.4Å; L166-K205 HydrophobicContact CD2-CB 4Å; L166-L206 HydrophobicContact CD1-CD2 4.1Å; L166-L206 HydrophobicContact CD2-CD2 3.99Å; L166-L206 HydrophobicContact CD2-CG 3.9Å |
| 167 | L | 81.8 | Confident | 82.4 | Confident | 40 Ų | 40 | 50.4 Ų | 50.4 | 21% | 0.209 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.1 | -45.4 | 177.9 | -177.8 | 60.9 | 0 | 0 | 0 | 110.9 | S163 K164 E165 L170 T171 K205 Y209 D399 | S163-L167 PolarHBondContact O-N 3.34Å; K164-L167 PolarHBondContact O-N 3.4Å; E165-L167 PolarHBondContact O-N 3.38Å; L167-L170 PolarHBondContact O-N 3.46Å; L167-T171 WeakPolarHBondContact O-CG2 3.41Å; L167-T171 PolarHBondContact O-N 3.43Å; L167-K205 HydrophobicContact CB-CD 4.06Å; L167-K205 HydrophobicContact CD1-CD 4.44Å; L167-Y209 HydrophobicContact CD1-CE2 4.46Å; L167-D399 HydrophobicContact CD1-CB 4.13Å; L167-D399 HydrophobicContact CD2-CB 4.06Å |
| 168 | F | 79.8 | Confident | 82.5 | Confident | 47 Ų | 47 | 50.5 Ų | 50.5 | 21% | 0.206 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.3 | -50.1 | 176.3 | -175.8 | -86.8 | 0 | 0 | 0 | 111.9 | P132 L135 L139 K164 E165 L166 L170 T171 Y172 | P132-F168 HydrophobicContact CB-CD2 3.81Å; P132-F168 HydrophobicContact CB-CE2 3.55Å; P132-F168 HydrophobicContact CB-CZ 4.1Å; P132-F168 WeakPolarHBondContact O-CZ 3.49Å; L135-F168 HydrophobicContact CB-CD1 4.35Å; L135-F168 HydrophobicContact CB-CE1 3.71Å; L135-F168 HydrophobicContact CB-CZ 4.31Å; L135-F168 HydrophobicContact CD2-CD1 3.29Å; L135-F168 HydrophobicContact CD2-CE1 3.5Å; L135-F168 HydrophobicContact CD2-CG 4.3Å; L135-F168 HydrophobicContact CG-CD1 3.83Å; L135-F168 HydrophobicContact CG-CE1 3.48Å; L135-F168 VanDerWaalsContact CG-CE1 3.48Å; L139-F168 HydrophobicContact CD1-CE1 4.08Å; K164-F168 PolarHBondContact O-N 2.9Å; E165-F168 WeakPolarHBondContact O-CB 3.43Å; E165-F168 PolarHBondContact O-N 3.31Å; L166-F168 VanDerWaalsContact C-N 3.26Å; L166-F168 PolarHBondContact O-N 2.9Å; F168-L170 VanDerWaalsContact C-N 3.3Å; F168-L170 PolarHBondContact O-N 2.83Å; F168-T171 PolarHBondContact O-N 2.99Å; F168-T171 VanDerWaalsContact O-N 3.14Å; F168-T171 PolarHBondContact O-OG1 3.21Å; F168-Y172 HydrophobicContact CD1-CE2 4.22Å; F168-Y172 HydrophobicContact CE1-CD2 4.16Å; F168-Y172 AromaticContact CE1-CE2 3.56Å; F168-Y172 HydrophobicContact CE1-CE2 3.56Å; F168-Y172 HydrophobicContact CE2-CE2 4.16Å; F168-Y172 AromaticContact CZ-CE2 3.55Å; F168-Y172 HydrophobicContact CZ-CE2 3.55Å; F168-Y172 WeakPolarHBondContact O-CD2 3.47Å |
| 169 | L | 82.7 | Confident | 82.6 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.5 | -41.6 | 179.1 | -67.2 | 169.8 | 0 | 0 | 0 | 112.1 | L127 L135 L139 L146 I157 F158 A161 E165 L166 T171 Y172 | L127-L169 HydrophobicContact CD1-CD1 4.14Å; L127-L169 HydrophobicContact CD1-CD2 4.47Å; L127-L169 HydrophobicContact CD2-CD1 4.14Å; L127-L169 HydrophobicContact CD2-CD2 4.31Å; L127-L169 HydrophobicContact CD2-CG 4.24Å; L135-L169 HydrophobicContact CD1-CD2 4.32Å; L135-L169 HydrophobicContact CD2-CD2 4.01Å; L135-L169 HydrophobicContact CG-CD2 4.44Å; L139-L169 HydrophobicContact CD1-CD2 4.18Å; L146-L169 HydrophobicContact CD2-CD2 4.1Å; I157-L169 HydrophobicContact CG1-CD1 3.85Å; I157-L169 HydrophobicContact CG2-CD1 4.09Å; F158-L169 HydrophobicContact CE1-CB 3.82Å; F158-L169 HydrophobicContact CZ-CB 4.36Å; A161-L169 HydrophobicContact CB-CD1 3.8Å; E165-L169 WeakPolarHBondContact O-CG 3.38Å; E165-L169 PolarHBondContact O-N 2.89Å; L166-L169 PolarHBondContact O-N 2.86Å; L169-T171 PolarHBondContact O-N 3.43Å; L169-Y172 PolarHBondContact O-N 3.06Å; L169-Y172 VanDerWaalsContact O-N 3.16Å |
| 170 | L | 84.3 | Confident | 82.7 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.6 | -24.6 | -179.9 | -71.2 | 170.7 | 0 | 0 | 0 | 113.1 | F158 L166 L167 F168 Y172 L173 L179 K205 Y209 | F158-L170 HydrophobicContact CD1-CD2 4.34Å; F158-L170 HydrophobicContact CE1-CD2 3.93Å; F158-L170 HydrophobicContact CE1-CG 4.38Å; L166-L170 HydrophobicContact CD1-CD1 3.76Å; L166-L170 HydrophobicContact CD1-CD2 4.17Å; L166-L170 HydrophobicContact CD1-CG 3.73Å; L166-L170 HydrophobicContact CD2-CD1 4.18Å; L166-L170 HydrophobicContact CG-CD1 3.56Å; L166-L170 HydrophobicContact CG-CG 4.03Å; L166-L170 WeakPolarHBondContact O-CB 3.31Å; L166-L170 WeakPolarHBondContact O-CG 3.15Å; L166-L170 PolarHBondContact O-N 2.8Å; L167-L170 PolarHBondContact O-N 3.46Å; F168-L170 VanDerWaalsContact C-N 3.3Å; F168-L170 PolarHBondContact O-N 2.83Å; L170-Y172 PolarHBondContact O-N 3.04Å; L170-L173 HydrophobicContact CD2-CD2 4.06Å; L170-L173 VanDerWaalsContact O-CB 3.28Å; L170-L173 WeakPolarHBondContact O-CB 3.27Å; L170-L173 PolarHBondContact O-N 2.92Å; L170-L179 HydrophobicContact CD2-CD1 3.99Å; L170-L179 HydrophobicContact CD2-CD2 3.73Å; L170-L179 HydrophobicContact CD2-CG 4.45Å; L170-K205 HydrophobicContact CD1-CB 4.02Å; L170-Y209 HydrophobicContact CB-CD1 3.76Å; L170-Y209 HydrophobicContact CB-CD2 4.2Å; L170-Y209 HydrophobicContact CB-CE1 3.62Å; L170-Y209 HydrophobicContact CB-CE2 4.03Å; L170-Y209 HydrophobicContact CB-CG 4.04Å; L170-Y209 HydrophobicContact CD1-CD1 4.46Å; L170-Y209 HydrophobicContact CD1-CD2 3.57Å; L170-Y209 HydrophobicContact CD1-CE2 3.84Å; L170-Y209 HydrophobicContact CD1-CG 3.87Å; L170-Y209 HydrophobicContact CD2-CD1 4.14Å; L170-Y209 HydrophobicContact CD2-CD2 4.48Å; L170-Y209 HydrophobicContact CD2-CG 3.92Å; L170-Y209 HydrophobicContact CG-CD1 4.34Å; L170-Y209 HydrophobicContact CG-CD2 4.31Å; L170-Y209 HydrophobicContact CG-CG 4.16Å; L170-Y209 WeakPolarHBondContact O-CE1 3.12Å |
| 171 | T | 79.2 | Confident | 83.1 | Confident | 63 Ų | 63 | 50 Ų | 50 | 39% | 0.387 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.3 | -25.9 | 175.4 | 67.6 | 0 | 0 | 0 | 0 | 113.7 | L167 F168 L169 K419 | L167-T171 WeakPolarHBondContact O-CG2 3.41Å; L167-T171 PolarHBondContact O-N 3.43Å; F168-T171 PolarHBondContact O-N 2.99Å; F168-T171 VanDerWaalsContact O-N 3.14Å; F168-T171 PolarHBondContact O-OG1 3.21Å; L169-T171 PolarHBondContact O-N 3.43Å; T171-K419 PolarHBondContact O-NZ 3.21Å |
| 172 | Y | 79.9 | Confident | 83.6 | Confident | 87 Ų | 87 | 53.6 Ų | 53.6 | 34% | 0.341 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 1.2 | 178 | -66.8 | -94.2 | 0 | 0 | 0 | 113 | G136 L139 F168 L169 L170 T174 | G136-Y172 WeakPolarHBondContact CA-OH 3.13Å; L139-Y172 HydrophobicContact CB-CD1 3.8Å; L139-Y172 HydrophobicContact CB-CE1 4.12Å; L139-Y172 HydrophobicContact CB-CG 4.04Å; L139-Y172 HydrophobicContact CD1-CD1 4.28Å; L139-Y172 HydrophobicContact CD1-CD2 3.53Å; L139-Y172 HydrophobicContact CD1-CE2 4.06Å; L139-Y172 HydrophobicContact CD1-CG 3.68Å; L139-Y172 HydrophobicContact CG-CG 4.47Å; F168-Y172 HydrophobicContact CD1-CE2 4.22Å; F168-Y172 HydrophobicContact CE1-CD2 4.16Å; F168-Y172 AromaticContact CE1-CE2 3.56Å; F168-Y172 HydrophobicContact CE1-CE2 3.56Å; F168-Y172 HydrophobicContact CE2-CE2 4.16Å; F168-Y172 AromaticContact CZ-CE2 3.55Å; F168-Y172 HydrophobicContact CZ-CE2 3.55Å; F168-Y172 WeakPolarHBondContact O-CD2 3.47Å; L169-Y172 PolarHBondContact O-N 3.06Å; L169-Y172 VanDerWaalsContact O-N 3.16Å; L170-Y172 PolarHBondContact O-N 3.04Å; Y172-T174 PolarHBondContact O-N 3.17Å |
| 173 | L | 81.2 | Confident | 84.1 | Confident | 30 Ų | 30 | 50.4 Ų | 50.4 | 16% | 0.157 | 26% | 0.255 | C | S | . | . | trans | -68.4 | 117.5 | 179.5 | -172.5 | 72.1 | 0 | 0 | 0 | 110.1 | F158 L170 D175 T178 L179 | F158-L173 HydrophobicContact CE2-CD1 4.41Å; F158-L173 HydrophobicContact CZ-CD1 3.99Å; L170-L173 HydrophobicContact CD2-CD2 4.06Å; L170-L173 VanDerWaalsContact O-CB 3.28Å; L170-L173 WeakPolarHBondContact O-CB 3.27Å; L170-L173 PolarHBondContact O-N 2.92Å; L173-D175 VanDerWaalsContact CD1-O 3.28Å; L173-D175 WeakPolarHBondContact CD1-O 3.18Å; L173-T178 HydrophobicContact CD1-CG2 4.28Å; L173-L179 HydrophobicContact CD1-CD2 4.45Å; L173-L179 HydrophobicContact CD1-CG 4.45Å; L173-L179 HydrophobicContact CD2-CD1 3.63Å; L173-L179 HydrophobicContact CD2-CD2 4.17Å; L173-L179 HydrophobicContact CD2-CG 3.76Å | ||
| 174 | T | 74.6 | Confident | 84.8 | Confident | 130 Ų | 130 | 54.7 Ų | 54.7 | 80% | 0.798 | 27% | 0.269 | S | S | * | . | trans | -95.7 | -30.7 | 176.5 | 51.4 | 0 | 0 | 0 | 0 | 112.5 | Y172 | Y172-T174 PolarHBondContact O-N 3.17Š| ||
| 175 | D | 81.4 | Confident | 85.5 | Confident | 48 Ų | 48 | 52.5 Ų | 52.5 | 26% | 0.257 | 26% | 0.262 | S | S | . | . | trans | -128.5 | 121 | -172.5 | 175 | 11.5 | 0 | 0 | 0 | 110.5 | K147 L173 D177 T178 | K147-D175 WeakPolarHBondContact CE-OD2 3.34Å; K147-D175 IonicContact NZ-OD2 3.04Å; K147-D175 PolarHBondContact NZ-OD2 3.14Å; L173-D175 VanDerWaalsContact CD1-O 3.28Å; L173-D175 WeakPolarHBondContact CD1-O 3.18Å; D175-D177 PolarHBondContact O-N 3.39Å; D175-D177 WeakPolarHBondContact OD1-CB 3.13Å; D175-D177 PolarHBondContact OD1-N 3.32Å; D175-T178 WeakPolarHBondContact O-CB 3.48Å; D175-T178 PolarHBondContact O-N 3.28Å; D175-T178 PolarHBondContact O-OG1 3.12Å | ||
| 176 | R | 82 | Confident | 86.4 | Confident | 106 Ų | 106 | 51.3 Ų | 51.3 | 40% | 0.4 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -66.1 | -25.3 | -177.9 | -64.3 | -172 | -168.2 | -103.2 | 7.7 | 112.6 | T178 L179 Y209 | R176-T178 PolarHBondContact O-N 3.34Å; R176-L179 WeakPolarHBondContact O-CB 3.37Å; R176-L179 PolarHBondContact O-N 2.87Å; R176-Y209 PolarHBondContact NH1-O 3.4Å |
| 177 | D | 87 | Confident | 87 | Confident | 110 Ų | 110 | 52.8 Ų | 52.8 | 59% | 0.588 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -65.2 | -24.1 | -178.6 | -69.8 | -24.2 | 0 | 0 | 0 | 112.3 | D175 L179 N180 | D175-D177 PolarHBondContact O-N 3.39Å; D175-D177 WeakPolarHBondContact OD1-CB 3.13Å; D175-D177 PolarHBondContact OD1-N 3.32Å; D177-L179 PolarHBondContact O-N 2.99Å; D177-L179 VanDerWaalsContact O-N 3.11Å; D177-N180 PolarHBondContact O-N 2.78Å |
| 178 | T | 88.2 | Confident | 87.7 | Confident | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.025 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -56.2 | -28.7 | 173 | -43.6 | 0 | 0 | 0 | 0 | 112.7 | L146 K147 F158 L173 D175 R176 N180 | L146-T178 HydrophobicContact CB-CG2 4.48Å; L146-T178 WeakPolarHBondContact O-CG2 3.18Å; K147-T178 WeakPolarHBondContact CE-OG1 3.4Å; K147-T178 HydrophobicContact CG-CG2 3.88Å; F158-T178 HydrophobicContact CD2-CG2 4.02Å; F158-T178 HydrophobicContact CE2-CG2 3.61Å; L173-T178 HydrophobicContact CD1-CG2 4.28Å; D175-T178 WeakPolarHBondContact O-CB 3.48Å; D175-T178 PolarHBondContact O-N 3.28Å; D175-T178 PolarHBondContact O-OG1 3.12Å; R176-T178 PolarHBondContact O-N 3.34Å; T178-N180 VanDerWaalsContact C-N 3.29Å; T178-N180 PolarHBondContact O-N 3.18Å |
| 179 | L | 92.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -81.8 | -5 | 178.4 | -60.1 | -177.5 | 0 | 0 | 0 | 113.9 | F158 L170 L173 R176 D177 P189 L206 S211 | F158-L179 HydrophobicContact CB-CD2 4.4Å; F158-L179 HydrophobicContact CD1-CD2 3.66Å; F158-L179 HydrophobicContact CD2-CD2 4.31Å; F158-L179 HydrophobicContact CE1-CD2 3.93Å; F158-L179 HydrophobicContact CG-CD2 3.87Å; F158-L179 HydrophobicContact CZ-CD2 4.36Å; L170-L179 HydrophobicContact CD2-CD1 3.99Å; L170-L179 HydrophobicContact CD2-CD2 3.73Å; L170-L179 HydrophobicContact CD2-CG 4.45Å; L173-L179 HydrophobicContact CD1-CD2 4.45Å; L173-L179 HydrophobicContact CD1-CG 4.45Å; L173-L179 HydrophobicContact CD2-CD1 3.63Å; L173-L179 HydrophobicContact CD2-CD2 4.17Å; L173-L179 HydrophobicContact CD2-CG 3.76Å; R176-L179 WeakPolarHBondContact O-CB 3.37Å; R176-L179 PolarHBondContact O-N 2.87Å; D177-L179 PolarHBondContact O-N 2.99Å; D177-L179 VanDerWaalsContact O-N 3.11Å; L179-P189 WeakPolarHBondContact O-CD 3.46Å; L179-L206 HydrophobicContact CD2-CD2 4.22Å; L179-S211 WeakPolarHBondContact CB-OG 3.35Å |
| 180 | N | 93.9 | Very high | 89.2 | Confident | 43 Ų | 43 | 48.7 Ų | 48.7 | 23% | 0.23 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -113.9 | 5.4 | -176.8 | -60.9 | -40.2 | 0 | 0 | 0 | 113 | D177 T178 L182 N212 | D177-N180 PolarHBondContact O-N 2.78Å; T178-N180 VanDerWaalsContact C-N 3.29Å; T178-N180 PolarHBondContact O-N 3.18Å; N180-L182 PolarHBondContact O-N 2.72Å; N180-N212 VanDerWaalsContact OD1-CB 3.32Å; N180-N212 WeakPolarHBondContact OD1-CB 3.33Å; N180-N212 PolarHBondContact OD1-N 3.01Å |
| 181 | V | 92.5 | Very high | 89.8 | Confident | 34 Ų | 34 | 48.7 Ų | 48.7 | 21% | 0.206 | 24% | 0.243 | C | C | . | . | trans | -60.8 | 133.1 | 176.6 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | Q149 T156 H159 | Q149-V181 HydrophobicContact CG-CG1 4.1Å; T156-V181 HydrophobicContact CG2-CB 4.04Å; T156-V181 HydrophobicContact CG2-CG1 3.73Å; T156-V181 HydrophobicContact CG2-CG2 4.5Å; H159-V181 PolarHBondContact CE1-O 2.89Å; H159-V181 PolarHBondContact NE2-O 3.35Å | ||
| 182 | L | 94.9 | Very high | 90.6 | Very high | 81 Ų | 81 | 46.9 Ų | 46.9 | 42% | 0.424 | 23% | 0.232 | S | C | . | . | trans | -90.1 | 132.3 | 176.9 | -61.4 | 174.4 | 0 | 0 | 0 | 111 | Q149 N180 Y187 T188 | Q149-L182 PolarHBondContact NE2-O 3.41Å; N180-L182 PolarHBondContact O-N 2.72Å; L182-Y187 CarbonylContact C-O 3.54Å; L182-Y187 WeakPolarHBondContact CA-O 3.41Å; L182-T188 HydrophobicContact CD2-CG2 3.51Å | ||
| 183 | N | 93.9 | Very high | 91.3 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 5% | 0.053 | 22% | 0.215 | C | C | . | . | trans | -72.3 | 177.5 | 167.3 | 79.4 | -3.7 | 0 | 0 | 0 | 111.4 | T153 G154 E185 G186 Y187 | T153-N183 WeakPolarHBondContact O-CB 3.33Å; G154-N183 WeakPolarHBondContact O-CA 3.38Å; N183-E185 PolarHBondContact O-N 2.86Å; N183-E185 WeakPolarHBondContact OD1-CA 3.34Å; N183-E185 WeakPolarHBondContact OD1-CB 3.48Å; N183-E185 PolarHBondContact OD1-N 3.37Å; N183-G186 PolarHBondContact O-N 2.67Å; N183-G186 PolarHBondContact OD1-N 3.36Å; N183-Y187 PolarHBondContact N-O 2.98Å; N183-Y187 PolarHBondContact OD1-N 2.93Å; N183-Y187 PolarHBondContact OD1-O 3.1Å | ||
| 184 | K | 94.2 | Very high | 92.1 | Very high | 124 Ų | 124 | 41.3 Ų | 41.3 | 54% | 0.539 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -20.2 | -179.8 | -71.3 | -168.6 | -174.1 | -174.5 | 0 | 114 | P151 K152 T153 G186 K218 | P151-K184 WeakPolarHBondContact O-CE 3.21Å; P151-K184 PolarHBondContact O-NZ 2.77Å; K152-K184 WeakPolarHBondContact O-CD 3.44Å; T153-K184 WeakPolarHBondContact O-CB 3.24Å; T153-K184 PolarHBondContact O-N 3.01Å; K184-G186 VanDerWaalsContact C-N 3.26Å; K184-K218 PolarHBondContact O-NZ 3.02Å |
| 185 | E | 92.3 | Very high | 93 | Very high | 119 Ų | 119 | 38.9 Ų | 38.9 | 56% | 0.556 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -7.1 | 172.4 | -58.2 | -180 | 165.6 | 0 | 0 | 112.4 | N183 Y187 | N183-E185 PolarHBondContact O-N 2.86Å; N183-E185 WeakPolarHBondContact OD1-CA 3.34Å; N183-E185 WeakPolarHBondContact OD1-CB 3.48Å; N183-E185 PolarHBondContact OD1-N 3.37Å; E185-Y187 HydrophobicContact CB-CD2 3.52Å; E185-Y187 HydrophobicContact CB-CE2 3.58Å; E185-Y187 HydrophobicContact CB-CG 4.45Å; E185-Y187 WeakPolarHBondContact OE2-CD2 3.39Å; E185-Y187 WeakPolarHBondContact OE2-CE2 3.47Å |
| 186 | G | 94.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 83.7 | 28.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N183 K184 S217 | N183-G186 PolarHBondContact O-N 2.67Å; N183-G186 PolarHBondContact OD1-N 3.36Å; K184-G186 VanDerWaalsContact C-N 3.26Å; G186-S217 WeakPolarHBondContact O-CA 3.34Å |
| 187 | Y | 96.8 | Very high | 93.9 | Very high | 30 Ų | 30 | 39.7 Ų | 39.7 | 12% | 0.118 | 20% | 0.201 | C | C | . | . | trans | -115.5 | 140.3 | -178.9 | -61.1 | -42.3 | 0 | 0 | 0 | 111 | H159 L182 N183 E185 H191 K195 F226 | H159-Y187 PolarHBondContact NE2-O 3.28Å; L182-Y187 CarbonylContact C-O 3.54Å; L182-Y187 WeakPolarHBondContact CA-O 3.41Å; N183-Y187 PolarHBondContact N-O 2.98Å; N183-Y187 PolarHBondContact OD1-N 2.93Å; N183-Y187 PolarHBondContact OD1-O 3.1Å; E185-Y187 HydrophobicContact CB-CD2 3.52Å; E185-Y187 HydrophobicContact CB-CE2 3.58Å; E185-Y187 HydrophobicContact CB-CG 4.45Å; E185-Y187 WeakPolarHBondContact OE2-CD2 3.39Å; E185-Y187 WeakPolarHBondContact OE2-CE2 3.47Å; Y187-H191 HydrophobicContact CD1-CB 4.01Å; Y187-H191 HydrophobicContact CG-CB 4.11Å; Y187-K195 PolarHBondContact OH-NZ 3.43Å; Y187-K195 VanDerWaalsContact OH-NZ 3.08Å; Y187-F226 HydrophobicContact CD1-CZ 4.09Å; Y187-F226 HydrophobicContact CE1-CE1 4.08Å; Y187-F226 AromaticContact CE1-CZ 3.56Å; Y187-F226 HydrophobicContact CE1-CZ 3.56Å | ||
| 188 | T | 96.5 | Very high | 94 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | trans | -80.3 | 168.7 | 168.8 | 65.7 | 0 | 0 | 0 | 0 | 110.4 | H159 L182 L190 H191 V192 A215 | H159-T188 VanDerWaalsContact NE2-C 3.34Å; L182-T188 HydrophobicContact CD2-CG2 3.51Å; T188-L190 PolarHBondContact O-N 3.03Å; T188-L190 PolarHBondContact OG1-N 3.45Å; T188-H191 PolarHBondContact N-ND1 3.47Å; T188-H191 VanDerWaalsContact N-ND1 3.16Å; T188-H191 WeakPolarHBondContact O-CB 3.23Å; T188-H191 PolarHBondContact O-N 3.13Å; T188-H191 VanDerWaalsContact O-N 3.11Å; T188-H191 PolarHBondContact OG1-N 2.74Å; T188-H191 PolarHBondContact OG1-ND1 3.28Å; T188-V192 PolarHBondContact O-N 2.95Å; T188-V192 VanDerWaalsContact O-N 3.07Å; T188-A215 HydrophobicContact CG2-CB 3.81Å | ||
| 189 | P | 95.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -51 | -38.4 | 169.3 | -30.2 | 36.7 | 0 | 0 | 0 | 113.3 | F158 H159 L179 N193 L206 | F158-P189 HydrophobicContact CB-CB 4.08Å; F158-P189 HydrophobicContact CB-CG 3.8Å; H159-P189 VanDerWaalsContact CE1-CD 3.47Å; H159-P189 WeakPolarHBondContact CE1-CD 3.43Å; H159-P189 WeakPolarHBondContact NE2-CD 3.48Å; L179-P189 WeakPolarHBondContact O-CD 3.46Å; P189-N193 WeakPolarHBondContact O-CB 3.5Å; P189-N193 PolarHBondContact O-N 3.36Å; P189-N193 VanDerWaalsContact O-N 3.08Å; P189-N193 PolarHBondContact O-ND2 2.92Å; P189-L206 HydrophobicContact CB-CD1 4.17Å; P189-L206 HydrophobicContact CB-CD2 4.22Å |
| 190 | L | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64 | -47.8 | 178.1 | -178.3 | 57.8 | 0 | 0 | 0 | 111.5 | T188 V192 N193 L194 I203 L206 L207 P223 L239 | T188-L190 PolarHBondContact O-N 3.03Å; T188-L190 PolarHBondContact OG1-N 3.45Å; L190-V192 PolarHBondContact O-N 2.97Å; L190-N193 PolarHBondContact O-N 3.34Å; L190-L194 HydrophobicContact CD1-CD1 4.12Å; L190-L194 HydrophobicContact CD1-CG 4.39Å; L190-L194 HydrophobicContact CG-CD1 3.96Å; L190-L194 WeakPolarHBondContact O-CD1 3.22Å; L190-L194 VanDerWaalsContact O-CG 3.32Å; L190-L194 WeakPolarHBondContact O-CG 3.37Å; L190-L194 PolarHBondContact O-N 2.89Å; L190-I203 HydrophobicContact CD1-CB 4.47Å; L190-I203 HydrophobicContact CD1-CG1 4.42Å; L190-I203 HydrophobicContact CD1-CG2 3.91Å; L190-L206 HydrophobicContact CB-CD1 4.43Å; L190-L206 HydrophobicContact CD1-CD1 4.5Å; L190-L207 HydrophobicContact CD1-CD2 4.45Å; L190-L207 HydrophobicContact CD1-CG 4.44Å; L190-L207 HydrophobicContact CD2-CD2 3.86Å; L190-P223 HydrophobicContact CD2-CB 3.89Å; L190-P223 HydrophobicContact CD2-CG 3.68Å; L190-P223 HydrophobicContact CG-CB 4.19Å; L190-P223 HydrophobicContact CG-CG 4.15Å; L190-L239 HydrophobicContact CD1-CD2 4.48Å; L190-L239 HydrophobicContact CD2-CD2 4.2Å |
| 191 | H | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.8 | -48.8 | 176.5 | -70.1 | 116.3 | 0 | 0 | 0 | 112.8 | Y187 T188 N193 L194 K195 A215 K221 F226 | Y187-H191 HydrophobicContact CD1-CB 4.01Å; Y187-H191 HydrophobicContact CG-CB 4.11Å; T188-H191 PolarHBondContact N-ND1 3.47Å; T188-H191 VanDerWaalsContact N-ND1 3.16Å; T188-H191 WeakPolarHBondContact O-CB 3.23Å; T188-H191 PolarHBondContact O-N 3.13Å; T188-H191 VanDerWaalsContact O-N 3.11Å; T188-H191 PolarHBondContact OG1-N 2.74Å; T188-H191 PolarHBondContact OG1-ND1 3.28Å; H191-N193 VanDerWaalsContact C-N 3.28Å; H191-N193 PolarHBondContact O-N 2.97Å; H191-L194 PolarHBondContact O-N 3.2Å; H191-K195 PolarHBondContact O-N 3.26Å; H191-A215 PolarHBondContact CE1-O 3.02Å; H191-A215 PolarHBondContact NE2-O 3.42Å; H191-A215 VanDerWaalsContact NE2-O 3.15Å; H191-K221 PolarHBondContact NE2-O 2.79Å; H191-F226 AromaticContact CD2-CD2 3.45Å; H191-F226 VanDerWaalsContact CD2-CD2 3.45Å; H191-F226 WeakPolarHBondContact CD2-CD2 3.42Å; H191-F226 AromaticContact CD2-CE2 3.34Å; H191-F226 WeakPolarHBondContact CD2-CE2 3.33Å; H191-F226 AromaticContact NE2-CE2 3.88Å |
| 192 | V | 95.6 | Very high | 94.5 | Very high | 25 Ų | 25 | 40 Ų | 40 | 15% | 0.152 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.1 | -38.8 | -179.9 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | T188 L190 K195 | T188-V192 PolarHBondContact O-N 2.95Å; T188-V192 VanDerWaalsContact O-N 3.07Å; L190-V192 PolarHBondContact O-N 2.97Å; V192-K195 PolarHBondContact O-N 3.43Å |
| 193 | N | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -76.7 | -25.7 | -179.2 | -77.7 | -60.3 | 0 | 0 | 0 | 113.5 | P189 L190 H191 K196 N199 V202 I203 L206 | P189-N193 WeakPolarHBondContact O-CB 3.5Å; P189-N193 PolarHBondContact O-N 3.36Å; P189-N193 VanDerWaalsContact O-N 3.08Å; P189-N193 PolarHBondContact O-ND2 2.92Å; L190-N193 PolarHBondContact O-N 3.34Å; H191-N193 VanDerWaalsContact C-N 3.28Å; H191-N193 PolarHBondContact O-N 2.97Å; N193-K196 PolarHBondContact O-N 3.12Å; N193-K196 PolarHBondContact OD1-NZ 3.38Å; N193-N199 WeakPolarHBondContact CA-ND2 3.41Å; N193-N199 WeakPolarHBondContact CB-ND2 3.37Å; N193-N199 VanDerWaalsContact CG-ND2 3.33Å; N193-N199 PolarHBondContact O-ND2 3.21Å; N193-N199 VanDerWaalsContact O-ND2 3.17Å; N193-N199 PolarHBondContact OD1-ND2 2.75Å; N193-V202 HydrophobicContact CB-CG1 3.81Å; N193-I203 HydrophobicContact CB-CG1 4.42Å; N193-L206 HydrophobicContact CB-CD1 4.4Å |
| 194 | L | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68 | -32.7 | 171 | -77.5 | 161.5 | 0 | 0 | 0 | 112.6 | L190 H191 K196 I203 P223 F226 A227 Q230 Y235 L239 | L190-L194 HydrophobicContact CD1-CD1 4.12Å; L190-L194 HydrophobicContact CD1-CG 4.39Å; L190-L194 HydrophobicContact CG-CD1 3.96Å; L190-L194 WeakPolarHBondContact O-CD1 3.22Å; L190-L194 VanDerWaalsContact O-CG 3.32Å; L190-L194 WeakPolarHBondContact O-CG 3.37Å; L190-L194 PolarHBondContact O-N 2.89Å; H191-L194 PolarHBondContact O-N 3.2Å; L194-K196 PolarHBondContact O-N 2.62Å; L194-I203 HydrophobicContact CD2-CD1 3.66Å; L194-I203 HydrophobicContact CD2-CG1 4.25Å; L194-I203 HydrophobicContact CG-CD1 4.15Å; L194-I203 HydrophobicContact CG-CG1 4.36Å; L194-P223 HydrophobicContact CD1-CB 3.56Å; L194-P223 WeakPolarHBondContact CD1-O 3.4Å; L194-F226 HydrophobicContact CB-CB 4.09Å; L194-F226 HydrophobicContact CD1-CB 4.4Å; L194-A227 HydrophobicContact CD2-CB 4.16Å; L194-Q230 WeakPolarHBondContact O-CG 3.46Å; L194-Y235 HydrophobicContact CD2-CD2 3.69Å; L194-Y235 HydrophobicContact CD2-CE2 4.39Å; L194-Y235 HydrophobicContact CD2-CG 3.98Å; L194-Y235 WeakPolarHBondContact O-CE2 3.33Å; L194-L239 HydrophobicContact CD1-CD1 4.2Å; L194-L239 HydrophobicContact CD2-CD1 4.12Å |
| 195 | K | 94.5 | Very high | 94.6 | Very high | 79 Ų | 79 | 30.3 Ų | 30.3 | 34% | 0.343 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -13.8 | 174.8 | -68.2 | -177.8 | 173.5 | -170.4 | 0 | 114.1 | Y187 H191 V192 F226 | Y187-K195 PolarHBondContact OH-NZ 3.43Å; Y187-K195 VanDerWaalsContact OH-NZ 3.08Å; H191-K195 PolarHBondContact O-N 3.26Å; V192-K195 PolarHBondContact O-N 3.43Å; K195-F226 VanDerWaalsContact CE-CE1 3.43Å; K195-F226 HydrophobicContact CG-CD1 4.14Å |
| 196 | K | 92.9 | Very high | 94.8 | Very high | 71 Ų | 71 | 24.7 Ų | 24.7 | 31% | 0.309 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -93.1 | 137.8 | -179.1 | -60.7 | 174 | -167.6 | 163 | 0 | 109.9 | H159 N193 L194 N199 Y235 | H159-K196 PolarHBondContact O-NZ 3.03Å; N193-K196 PolarHBondContact O-N 3.12Å; N193-K196 PolarHBondContact OD1-NZ 3.38Å; L194-K196 PolarHBondContact O-N 2.62Å; K196-N199 HydrophobicContact CB-CB 4.21Å; K196-Y235 PolarHBondContact O-OH 2.96Å |
| 197 | P | 89.6 | Confident | 94.8 | Very high | 100 Ų | 100 | 24.7 Ų | 24.7 | 65% | 0.649 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 152.2 | 172.3 | 29.8 | -34.4 | 0 | 0 | 0 | 111.1 | N199 | P197-N199 VanDerWaalsContact C-N 3.32Å; P197-N199 PolarHBondContact O-N 3.37Å |
| 198 | N | 89.5 | Confident | 94.5 | Very high | 132 Ų | 132 | 23.3 Ų | 23.3 | 71% | 0.706 | 13% | 0.128 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57 | 33.2 | 170.9 | -60.5 | -37.8 | 0 | 0 | 0 | 116.6 | Y235 | N198-Y235 PolarHBondContact N-OH 3.29Š|
| 199 | N | 94 | Very high | 94.4 | Very high | 24 Ų | 24 | 24.4 Ų | 24.4 | 13% | 0.128 | 13% | 0.132 | C | C | . | . | trans | -109.1 | 22.3 | -173.2 | -151.8 | 24.4 | 0 | 0 | 0 | 113.7 | N193 K196 P197 A201 V202 I203 Y235 | N193-N199 WeakPolarHBondContact CA-ND2 3.41Å; N193-N199 WeakPolarHBondContact CB-ND2 3.37Å; N193-N199 VanDerWaalsContact CG-ND2 3.33Å; N193-N199 PolarHBondContact O-ND2 3.21Å; N193-N199 VanDerWaalsContact O-ND2 3.17Å; N193-N199 PolarHBondContact OD1-ND2 2.75Å; K196-N199 HydrophobicContact CB-CB 4.21Å; P197-N199 VanDerWaalsContact C-N 3.32Å; P197-N199 PolarHBondContact O-N 3.37Å; N199-A201 VanDerWaalsContact C-N 3.28Å; N199-A201 PolarHBondContact O-N 2.89Å; N199-V202 WeakPolarHBondContact O-CB 3.31Å; N199-V202 PolarHBondContact O-N 2.99Å; N199-V202 VanDerWaalsContact OD1-CB 3.29Å; N199-V202 WeakPolarHBondContact OD1-CB 3.25Å; N199-V202 WeakPolarHBondContact OD1-CG2 3.15Å; N199-I203 WeakPolarHBondContact O-CG1 3.36Å; N199-I203 PolarHBondContact O-N 2.85Å; N199-I203 VanDerWaalsContact O-N 3.1Å; N199-Y235 PolarHBondContact N-OH 2.89Å | ||
| 200 | L | 95.5 | Very high | 94.1 | Very high | 12 Ų | 12 | 24.8 Ų | 24.8 | 6% | 0.063 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -54.2 | -44.3 | -176.3 | -174.9 | 67.7 | 0 | 0 | 0 | 111.9 | V202 I203 T204 H234 Y235 A238 D615 R616 I619 | L200-V202 VanDerWaalsContact C-N 3.25Å; L200-V202 PolarHBondContact O-N 3.39Å; L200-I203 WeakPolarHBondContact O-CB 3.06Å; L200-I203 PolarHBondContact O-N 3.27Å; L200-I203 VanDerWaalsContact O-N 3.1Å; L200-T204 PolarHBondContact O-N 3.17Å; L200-T204 PolarHBondContact O-OG1 3.37Å; L200-T204 VanDerWaalsContact O-OG1 3.04Å; L200-H234 HydrophobicContact CD1-CB 4.13Å; L200-H234 HydrophobicContact CD2-CB 4.05Å; L200-Y235 HydrophobicContact CB-CD1 4.5Å; L200-Y235 HydrophobicContact CB-CE1 4.08Å; L200-Y235 HydrophobicContact CD1-CD1 3.9Å; L200-Y235 HydrophobicContact CD1-CE1 4.32Å; L200-A238 HydrophobicContact CD1-CB 4.12Å; L200-D615 HydrophobicContact CD2-CB 4.21Å; L200-D615 HydrophobicContact CG-CB 4.34Å; L200-R616 HydrophobicContact CD2-CB 4.33Å; L200-R616 HydrophobicContact CD2-CG 3.41Å; L200-R616 VanDerWaalsContact CD2-CG 3.41Å; L200-I619 HydrophobicContact CD1-CD1 3.69Å; L200-I619 HydrophobicContact CD2-CD1 3.92Å; L200-I619 HydrophobicContact CG-CD1 3.98Å |
| 201 | A | 94 | Very high | 94 | Very high | 30 Ų | 30 | 24.9 Ų | 24.9 | 25% | 0.248 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.9 | -29.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S163 N199 K205 D615 | S163-A201 WeakPolarHBondContact OG-CB 3.38Å; N199-A201 VanDerWaalsContact C-N 3.28Å; N199-A201 PolarHBondContact O-N 2.89Å; A201-K205 VanDerWaalsContact O-CG 3.22Å; A201-K205 WeakPolarHBondContact O-CG 3.38Å; A201-K205 PolarHBondContact O-N 3.24Å; A201-K205 PolarHBondContact O-NZ 3.26Å; A201-D615 VanDerWaalsContact CA-OD2 3.31Å; A201-D615 WeakPolarHBondContact CA-OD2 3.35Å; A201-D615 WeakPolarHBondContact CB-OD2 3.46Å |
| 202 | V | 94.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -74.2 | -46.4 | 172.8 | 165.2 | 0 | 0 | 0 | 0 | 110.3 | S163 L166 N193 N199 L200 T204 K205 L206 | S163-V202 VanDerWaalsContact CA-CG2 3.44Å; L166-V202 HydrophobicContact CD2-CB 4.28Å; L166-V202 HydrophobicContact CD2-CG1 3.71Å; L166-V202 HydrophobicContact CD2-CG2 4.4Å; N193-V202 HydrophobicContact CB-CG1 3.81Å; N199-V202 WeakPolarHBondContact O-CB 3.31Å; N199-V202 PolarHBondContact O-N 2.99Å; N199-V202 VanDerWaalsContact OD1-CB 3.29Å; N199-V202 WeakPolarHBondContact OD1-CB 3.25Å; N199-V202 WeakPolarHBondContact OD1-CG2 3.15Å; L200-V202 VanDerWaalsContact C-N 3.25Å; L200-V202 PolarHBondContact O-N 3.39Å; V202-T204 PolarHBondContact O-N 2.96Å; V202-K205 PolarHBondContact O-N 3.41Å; V202-L206 HydrophobicContact CG1-CD1 4.01Å; V202-L206 HydrophobicContact CG1-CG 4.4Å; V202-L206 WeakPolarHBondContact O-CG 3.48Å; V202-L206 PolarHBondContact O-N 3.27Å |
| 203 | I | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58 | -49.1 | 178.7 | -68.2 | 158.5 | 0 | 0 | 0 | 110.3 | L190 N193 L194 N199 L200 K205 L206 L207 Y235 | L190-I203 HydrophobicContact CD1-CB 4.47Å; L190-I203 HydrophobicContact CD1-CG1 4.42Å; L190-I203 HydrophobicContact CD1-CG2 3.91Å; N193-I203 HydrophobicContact CB-CG1 4.42Å; L194-I203 HydrophobicContact CD2-CD1 3.66Å; L194-I203 HydrophobicContact CD2-CG1 4.25Å; L194-I203 HydrophobicContact CG-CD1 4.15Å; L194-I203 HydrophobicContact CG-CG1 4.36Å; N199-I203 WeakPolarHBondContact O-CG1 3.36Å; N199-I203 PolarHBondContact O-N 2.85Å; N199-I203 VanDerWaalsContact O-N 3.1Å; L200-I203 WeakPolarHBondContact O-CB 3.06Å; L200-I203 PolarHBondContact O-N 3.27Å; L200-I203 VanDerWaalsContact O-N 3.1Å; I203-K205 VanDerWaalsContact C-N 3.34Å; I203-K205 PolarHBondContact O-N 2.84Å; I203-L206 PolarHBondContact O-N 3.25Å; I203-L207 HydrophobicContact CG2-CD1 3.77Å; I203-L207 HydrophobicContact CG2-CG 4.48Å; I203-L207 VanDerWaalsContact O-CG 3.28Å; I203-L207 WeakPolarHBondContact O-CG 3.3Å; I203-L207 PolarHBondContact O-N 3.45Å; I203-Y235 HydrophobicContact CD1-CD1 3.66Å; I203-Y235 HydrophobicContact CD1-CD2 4Å; I203-Y235 HydrophobicContact CD1-CE1 3.47Å; I203-Y235 VanDerWaalsContact CD1-CE1 3.47Å; I203-Y235 HydrophobicContact CD1-CE2 3.82Å; I203-Y235 HydrophobicContact CD1-CG 3.93Å |
| 204 | T | 94.9 | Very high | 94 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.7 | -41.1 | 178.2 | -54.1 | 0 | 0 | 0 | 0 | 111.9 | L200 V202 L207 A208 F242 F395 D615 | L200-T204 PolarHBondContact O-N 3.17Å; L200-T204 PolarHBondContact O-OG1 3.37Å; L200-T204 VanDerWaalsContact O-OG1 3.04Å; V202-T204 PolarHBondContact O-N 2.96Å; T204-L207 PolarHBondContact O-N 3.05Å; T204-A208 WeakPolarHBondContact O-CB 3.44Å; T204-A208 PolarHBondContact O-N 3.36Å; T204-F242 HydrophobicContact CG2-CE2 4.19Å; T204-F242 HydrophobicContact CG2-CZ 4.36Å; T204-F395 HydrophobicContact CG2-CD1 3.38Å; T204-F395 HydrophobicContact CG2-CE1 3.66Å; T204-F395 HydrophobicContact CG2-CG 4.23Å; T204-D615 WeakPolarHBondContact CG2-OD1 3.48Å |
| 205 | K | 93.9 | Very high | 94 | Very high | 11 Ų | 11 | 29.6 Ų | 29.6 | 5% | 0.048 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.9 | -46.3 | 175.4 | -76.2 | 176.2 | -175.9 | 73 | 0 | 112.2 | S163 L166 L167 L170 A201 V202 I203 L207 A208 Y209 D399 | S163-K205 PolarHBondContact OG-NZ 3.43Å; L166-K205 HydrophobicContact CD2-CB 4Å; L167-K205 HydrophobicContact CB-CD 4.06Å; L167-K205 HydrophobicContact CD1-CD 4.44Å; L170-K205 HydrophobicContact CD1-CB 4.02Å; A201-K205 VanDerWaalsContact O-CG 3.22Å; A201-K205 WeakPolarHBondContact O-CG 3.38Å; A201-K205 PolarHBondContact O-N 3.24Å; A201-K205 PolarHBondContact O-NZ 3.26Å; V202-K205 PolarHBondContact O-N 3.41Å; I203-K205 VanDerWaalsContact C-N 3.34Å; I203-K205 PolarHBondContact O-N 2.84Å; K205-L207 VanDerWaalsContact C-N 3.32Å; K205-L207 PolarHBondContact O-N 2.84Å; K205-A208 PolarHBondContact O-N 3.46Å; K205-Y209 VanDerWaalsContact O-CD2 3.29Å; K205-Y209 WeakPolarHBondContact O-CD2 3.35Å; K205-Y209 PolarHBondContact O-N 2.97Å; K205-D399 WeakPolarHBondContact CE-OD2 3.48Å; K205-D399 IonicContact NZ-OD2 3.99Å |
| 206 | L | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.3 | -48 | 176.2 | -73 | 175.2 | 0 | 0 | 0 | 111 | L166 L179 P189 L190 N193 V202 I203 Y209 G210 S211 | L166-L206 HydrophobicContact CD1-CD2 4.1Å; L166-L206 HydrophobicContact CD2-CD2 3.99Å; L166-L206 HydrophobicContact CD2-CG 3.9Å; L179-L206 HydrophobicContact CD2-CD2 4.22Å; P189-L206 HydrophobicContact CB-CD1 4.17Å; P189-L206 HydrophobicContact CB-CD2 4.22Å; L190-L206 HydrophobicContact CB-CD1 4.43Å; L190-L206 HydrophobicContact CD1-CD1 4.5Å; N193-L206 HydrophobicContact CB-CD1 4.4Å; V202-L206 HydrophobicContact CG1-CD1 4.01Å; V202-L206 HydrophobicContact CG1-CG 4.4Å; V202-L206 WeakPolarHBondContact O-CG 3.48Å; V202-L206 PolarHBondContact O-N 3.27Å; I203-L206 PolarHBondContact O-N 3.25Å; L206-Y209 PolarHBondContact O-N 3.04Å; L206-G210 PolarHBondContact O-N 3.33Å; L206-S211 WeakPolarHBondContact CB-OG 3.37Å; L206-S211 VanDerWaalsContact O-CB 3.31Å; L206-S211 WeakPolarHBondContact O-CB 3.31Å; L206-S211 PolarHBondContact O-N 3.43Å; L206-S211 PolarHBondContact O-OG 3.05Å |
| 207 | L | 94.5 | Very high | 94.2 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.6 | -41.9 | 177.9 | -65.4 | 168.1 | 0 | 0 | 0 | 112.6 | L190 I203 T204 K205 Y209 G210 V213 L239 F242 | L190-L207 HydrophobicContact CD1-CD2 4.45Å; L190-L207 HydrophobicContact CD1-CG 4.44Å; L190-L207 HydrophobicContact CD2-CD2 3.86Å; I203-L207 HydrophobicContact CG2-CD1 3.77Å; I203-L207 HydrophobicContact CG2-CG 4.48Å; I203-L207 VanDerWaalsContact O-CG 3.28Å; I203-L207 WeakPolarHBondContact O-CG 3.3Å; I203-L207 PolarHBondContact O-N 3.45Å; T204-L207 PolarHBondContact O-N 3.05Å; K205-L207 VanDerWaalsContact C-N 3.32Å; K205-L207 PolarHBondContact O-N 2.84Å; L207-Y209 VanDerWaalsContact C-N 3.27Å; L207-Y209 PolarHBondContact O-N 3.31Å; L207-G210 PolarHBondContact O-N 2.89Å; L207-V213 HydrophobicContact CD2-CB 3.96Å; L207-V213 HydrophobicContact CD2-CG2 3.86Å; L207-L239 HydrophobicContact CD1-CD2 4.04Å; L207-L239 HydrophobicContact CD2-CD2 4.15Å; L207-F242 HydrophobicContact CB-CB 4.29Å; L207-F242 HydrophobicContact CB-CD1 3.8Å; L207-F242 HydrophobicContact CB-CD2 3.69Å; L207-F242 HydrophobicContact CB-CE1 3.96Å; L207-F242 HydrophobicContact CB-CE2 3.87Å; L207-F242 HydrophobicContact CB-CG 3.66Å; L207-F242 HydrophobicContact CB-CZ 3.99Å; L207-F242 HydrophobicContact CD1-CB 4.15Å; L207-F242 HydrophobicContact CD1-CD2 3.49Å; L207-F242 VanDerWaalsContact CD1-CD2 3.49Å; L207-F242 HydrophobicContact CD1-CE2 4.09Å; L207-F242 HydrophobicContact CD1-CG 3.96Å; L207-F242 HydrophobicContact CD2-CB 4.2Å; L207-F242 HydrophobicContact CD2-CG 4.48Å; L207-F242 HydrophobicContact CG-CB 4.45Å; L207-F242 HydrophobicContact CG-CD2 4.15Å; L207-F242 HydrophobicContact CG-CG 4.23Å |
| 208 | A | 92.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.8 | -28.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T204 K205 R392 F395 R396 | T204-A208 WeakPolarHBondContact O-CB 3.44Å; T204-A208 PolarHBondContact O-N 3.36Å; K205-A208 PolarHBondContact O-N 3.46Å; A208-R392 WeakPolarHBondContact O-CB 3.2Å; A208-F395 HydrophobicContact CB-CB 3.57Å; A208-R396 HydrophobicContact CB-CG 4.2Å; A208-R396 PolarHBondContact O-NH1 3.31Å |
| 209 | Y | 92.6 | Very high | 94.6 | Very high | 24 Ų | 24 | 25.9 Ų | 25.9 | 9% | 0.094 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -91.6 | -0.8 | 174.6 | -79.1 | -102 | 0 | 0 | 0 | 113.3 | L167 L170 R176 K205 L206 L207 R396 | L167-Y209 HydrophobicContact CD1-CE2 4.46Å; L170-Y209 HydrophobicContact CB-CD1 3.76Å; L170-Y209 HydrophobicContact CB-CD2 4.2Å; L170-Y209 HydrophobicContact CB-CE1 3.62Å; L170-Y209 HydrophobicContact CB-CE2 4.03Å; L170-Y209 HydrophobicContact CB-CG 4.04Å; L170-Y209 HydrophobicContact CD1-CD1 4.46Å; L170-Y209 HydrophobicContact CD1-CD2 3.57Å; L170-Y209 HydrophobicContact CD1-CE2 3.84Å; L170-Y209 HydrophobicContact CD1-CG 3.87Å; L170-Y209 HydrophobicContact CD2-CD1 4.14Å; L170-Y209 HydrophobicContact CD2-CD2 4.48Å; L170-Y209 HydrophobicContact CD2-CG 3.92Å; L170-Y209 HydrophobicContact CG-CD1 4.34Å; L170-Y209 HydrophobicContact CG-CD2 4.31Å; L170-Y209 HydrophobicContact CG-CG 4.16Å; L170-Y209 WeakPolarHBondContact O-CE1 3.12Å; R176-Y209 PolarHBondContact NH1-O 3.4Å; K205-Y209 VanDerWaalsContact O-CD2 3.29Å; K205-Y209 WeakPolarHBondContact O-CD2 3.35Å; K205-Y209 PolarHBondContact O-N 2.97Å; L206-Y209 PolarHBondContact O-N 3.04Å; L207-Y209 VanDerWaalsContact C-N 3.27Å; L207-Y209 PolarHBondContact O-N 3.31Å; Y209-R396 HydrophobicContact CD2-CG 3.84Å; Y209-R396 HydrophobicContact CE1-CG 4.43Å; Y209-R396 HydrophobicContact CE2-CB 4.43Å; Y209-R396 HydrophobicContact CE2-CG 3.54Å; Y209-R396 HydrophobicContact CG-CG 4.47Å; Y209-R396 VanDerWaalsContact CZ-CD 3.48Å |
| 210 | G | 90.6 | Very high | 94.6 | Very high | 9 Ų | 9 | 31.1 Ų | 31.1 | 9% | 0.093 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.1 | 25 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115 | L206 L207 N212 | L206-G210 PolarHBondContact O-N 3.33Å; L207-G210 PolarHBondContact O-N 2.89Å; G210-N212 PolarHBondContact O-N 3.37Å |
| 211 | S | 94.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | trans | -51.4 | 139.3 | 163.3 | -71.2 | 0 | 0 | 0 | 0 | 110.7 | L179 L206 V213 | L179-S211 WeakPolarHBondContact CB-OG 3.35Å; L206-S211 WeakPolarHBondContact CB-OG 3.37Å; L206-S211 VanDerWaalsContact O-CB 3.31Å; L206-S211 WeakPolarHBondContact O-CB 3.31Å; L206-S211 PolarHBondContact O-N 3.43Å; L206-S211 PolarHBondContact O-OG 3.05Å; S211-V213 PolarHBondContact O-N 3.16Å; S211-V213 VanDerWaalsContact O-N 3.08Å | ||
| 212 | N | 95.4 | Very high | 94.8 | Very high | 71 Ų | 71 | 31.3 Ų | 31.3 | 38% | 0.38 | 16% | 0.159 | S | C | . | . | trans | -67.5 | 109 | 177.4 | 180 | 3.8 | 0 | 0 | 0 | 109.8 | N180 G210 N214 A215 | N180-N212 VanDerWaalsContact OD1-CB 3.32Å; N180-N212 WeakPolarHBondContact OD1-CB 3.33Å; N180-N212 PolarHBondContact OD1-N 3.01Å; G210-N212 PolarHBondContact O-N 3.37Å; N212-N214 PolarHBondContact O-N 3.16Å; N212-N214 PolarHBondContact OD1-N 3.09Å; N212-A215 HydrophobicContact CB-CB 4.07Å; N212-A215 WeakPolarHBondContact O-CB 3.36Å; N212-A215 PolarHBondContact O-N 3.35Å; N212-A215 PolarHBondContact OD1-N 3.2Å | ||
| 213 | V | 95.8 | Very high | 95 | Very high | 9 Ų | 9 | 31.3 Ų | 31.3 | 6% | 0.055 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -20.8 | -179.4 | 70 | 0 | 0 | 0 | 0 | 112.9 | L207 S211 P223 L239 F242 G243 A244 | L207-V213 HydrophobicContact CD2-CB 3.96Å; L207-V213 HydrophobicContact CD2-CG2 3.86Å; S211-V213 PolarHBondContact O-N 3.16Å; S211-V213 VanDerWaalsContact O-N 3.08Å; V213-P223 WeakPolarHBondContact O-CB 3.48Å; V213-P223 VanDerWaalsContact O-CD 3.31Å; V213-P223 WeakPolarHBondContact O-CD 3.1Å; V213-P223 WeakPolarHBondContact O-CG 3.42Å; V213-L239 HydrophobicContact CG2-CB 4.35Å; V213-L239 HydrophobicContact CG2-CD2 3.8Å; V213-F242 HydrophobicContact CG2-CB 4.39Å; V213-G243 WeakPolarHBondContact CG1-O 3.37Å; V213-A244 HydrophobicContact CG2-CB 3.72Å |
| 214 | N | 96.9 | Very high | 95.1 | Very high | 40 Ų | 40 | 31.3 Ų | 31.3 | 21% | 0.214 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 18.5 | -178.6 | -65.8 | -35.6 | 0 | 0 | 0 | 112.7 | N212 P216 G243 A244 D245 L248 | N212-N214 PolarHBondContact O-N 3.16Å; N212-N214 PolarHBondContact OD1-N 3.09Å; N214-P216 WeakPolarHBondContact O-CD 3.49Å; N214-G243 PolarHBondContact ND2-O 3.39Å; N214-A244 WeakPolarHBondContact OD1-CA 3.17Å; N214-D245 PolarHBondContact OD1-N 3.14Å; N214-L248 HydrophobicContact CB-CD1 3.83Å |
| 215 | A | 96.3 | Very high | 95.2 | Very high | 5 Ų | 5 | 31.3 Ų | 31.3 | 4% | 0.041 | 16% | 0.159 | C | C | . | . | trans | -57 | 125.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | T188 H191 N212 P223 | T188-A215 HydrophobicContact CG2-CB 3.81Å; H191-A215 PolarHBondContact CE1-O 3.02Å; H191-A215 PolarHBondContact NE2-O 3.42Å; H191-A215 VanDerWaalsContact NE2-O 3.15Å; N212-A215 HydrophobicContact CB-CB 4.07Å; N212-A215 WeakPolarHBondContact O-CB 3.36Å; N212-A215 PolarHBondContact O-N 3.35Å; N212-A215 PolarHBondContact OD1-N 3.2Å; A215-P223 VanDerWaalsContact O-CD 3.24Å; A215-P223 WeakPolarHBondContact O-CD 3.15Å | ||
| 216 | P | 96 | Very high | 95.3 | Very high | 78 Ų | 78 | 31.1 Ų | 31.1 | 51% | 0.506 | 16% | 0.158 | S | C | . | . | trans | -78.4 | 136.8 | 176.5 | 30 | -32.9 | 0 | 0 | 0 | 110.8 | N214 | N214-P216 WeakPolarHBondContact O-CD 3.49Š| ||
| 217 | S | 95.4 | Very high | 95.3 | Very high | 8 Ų | 8 | 31.1 Ų | 31.1 | 6% | 0.056 | 16% | 0.158 | C | C | . | . | trans | -75 | 178.9 | 163.2 | 79.1 | 0 | 0 | 0 | 0 | 111.5 | G186 D219 K220 K221 | G186-S217 WeakPolarHBondContact O-CA 3.34Å; S217-D219 PolarHBondContact O-N 3.17Å; S217-D219 PolarHBondContact OG-N 2.99Å; S217-K220 WeakPolarHBondContact O-CA 3.48Å; S217-K220 PolarHBondContact O-N 2.97Å; S217-K221 WeakPolarHBondContact CB-O 3.4Å; S217-K221 PolarHBondContact N-O 2.81Å; S217-K221 PolarHBondContact OG-N 3.43Å; S217-K221 PolarHBondContact OG-O 2.77Å | ||
| 218 | K | 93.8 | Very high | 95.4 | Very high | 139 Ų | 139 | 31.1 Ų | 31.1 | 60% | 0.604 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -36.2 | 172.1 | -85.5 | 176.6 | -171.5 | -173.4 | 0 | 113.5 | K184 K220 | K184-K218 PolarHBondContact O-NZ 3.02Å; K218-K220 PolarHBondContact O-N 3.04Å |
| 219 | D | 93.4 | Very high | 95.4 | Very high | 79 Ų | 79 | 34.2 Ų | 34.2 | 42% | 0.422 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 18.1 | 177.5 | -50.7 | -49.6 | 0 | 0 | 0 | 112.1 | S217 K221 A251 | S217-D219 PolarHBondContact O-N 3.17Å; S217-D219 PolarHBondContact OG-N 2.99Å; D219-K221 HydrophobicContact CB-CG 4.25Å; D219-K221 PolarHBondContact O-N 3.35Å; D219-A251 VanDerWaalsContact O-CB 3.23Å; D219-A251 WeakPolarHBondContact O-CB 3.33Å; D219-A251 PolarHBondContact O-N 3.28Å |
| 220 | K | 95.1 | Very high | 95.4 | Very high | 133 Ų | 133 | 36.9 Ų | 36.9 | 58% | 0.578 | 19% | 0.186 | S | C | * | . | trans | 53.6 | 15.6 | -172.2 | -56.6 | -177.2 | 177.8 | 179.9 | 0 | 114.4 | S217 K218 T222 | S217-K220 WeakPolarHBondContact O-CA 3.48Å; S217-K220 PolarHBondContact O-N 2.97Å; K218-K220 PolarHBondContact O-N 3.04Å; K220-T222 PolarHBondContact O-N 2.87Å | ||
| 221 | K | 97 | Very high | 95.5 | Very high | 43 Ų | 43 | 40.1 Ų | 40.1 | 19% | 0.187 | 20% | 0.197 | C | C | . | . | trans | -72.8 | 127.8 | 175.3 | -68.7 | -176 | 178.7 | -172.9 | 0 | 109 | H191 S217 D219 H225 F226 E229 | H191-K221 PolarHBondContact NE2-O 2.79Å; S217-K221 WeakPolarHBondContact CB-O 3.4Å; S217-K221 PolarHBondContact N-O 2.81Å; S217-K221 PolarHBondContact OG-N 3.43Å; S217-K221 PolarHBondContact OG-O 2.77Å; D219-K221 HydrophobicContact CB-CG 4.25Å; D219-K221 PolarHBondContact O-N 3.35Å; K221-H225 HydrophobicContact CB-CB 4.1Å; K221-H225 HydrophobicContact CG-CB 4.41Å; K221-F226 HydrophobicContact CB-CD2 4.28Å; K221-F226 HydrophobicContact CB-CE2 3.57Å; K221-F226 HydrophobicContact CB-CZ 4.11Å; K221-F226 HydrophobicContact CD-CZ 4.41Å; K221-E229 IonicContact NZ-OE1 2.69Å; K221-E229 PolarHBondContact NZ-OE1 2.81Å | ||
| 222 | T | 97.2 | Very high | 95.5 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | trans | -82.3 | 162.4 | 173.5 | 69.9 | 0 | 0 | 0 | 0 | 110.7 | K220 L224 H225 F226 L248 | K220-T222 PolarHBondContact O-N 2.87Å; T222-L224 PolarHBondContact O-N 2.95Å; T222-L224 PolarHBondContact OG1-N 2.95Å; T222-H225 PolarHBondContact N-ND1 2.85Å; T222-H225 VanDerWaalsContact N-ND1 3.14Å; T222-H225 WeakPolarHBondContact O-CB 3.31Å; T222-H225 PolarHBondContact O-N 2.88Å; T222-H225 PolarHBondContact OG1-ND1 3.18Å; T222-F226 WeakPolarHBondContact O-CD2 3.16Å; T222-F226 PolarHBondContact O-N 2.92Å; T222-L248 HydrophobicContact CG2-CB 3.78Å; T222-L248 HydrophobicContact CG2-CD1 3.75Å; T222-L248 HydrophobicContact CG2-CG 4.43Å | ||
| 223 | P | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -47.5 | -36.3 | 172.1 | -35.4 | 40.5 | 0 | 0 | 0 | 113.8 | L190 L194 V213 A215 H225 F226 A227 L239 | L190-P223 HydrophobicContact CD2-CB 3.89Å; L190-P223 HydrophobicContact CD2-CG 3.68Å; L190-P223 HydrophobicContact CG-CB 4.19Å; L190-P223 HydrophobicContact CG-CG 4.15Å; L194-P223 HydrophobicContact CD1-CB 3.56Å; L194-P223 WeakPolarHBondContact CD1-O 3.4Å; V213-P223 WeakPolarHBondContact O-CB 3.48Å; V213-P223 VanDerWaalsContact O-CD 3.31Å; V213-P223 WeakPolarHBondContact O-CD 3.1Å; V213-P223 WeakPolarHBondContact O-CG 3.42Å; A215-P223 VanDerWaalsContact O-CD 3.24Å; A215-P223 WeakPolarHBondContact O-CD 3.15Å; P223-H225 VanDerWaalsContact C-N 3.35Å; P223-H225 PolarHBondContact O-N 2.64Å; P223-F226 PolarHBondContact O-N 3.13Å; P223-A227 PolarHBondContact O-N 3.22Å; P223-L239 VanDerWaalsContact C-CD1 3.47Å; P223-L239 HydrophobicContact CB-CD1 3.99Å; P223-L239 HydrophobicContact CB-CD2 3.83Å; P223-L239 WeakPolarHBondContact O-CD1 3.42Å |
| 224 | L | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.9 | -36.8 | 179.3 | -170.4 | 56.9 | 0 | 0 | 0 | 112.4 | T222 F226 A227 V228 V236 L239 L240 A244 P256 L277 | T222-L224 PolarHBondContact O-N 2.95Å; T222-L224 PolarHBondContact OG1-N 2.95Å; L224-F226 PolarHBondContact O-N 3.15Å; L224-A227 PolarHBondContact O-N 3.03Å; L224-V228 WeakPolarHBondContact O-CG2 3.23Å; L224-V228 PolarHBondContact O-N 3.21Å; L224-V228 VanDerWaalsContact O-N 3.1Å; L224-V236 HydrophobicContact CD1-CB 4.49Å; L224-V236 HydrophobicContact CD1-CG1 4.07Å; L224-L239 HydrophobicContact CB-CD1 4.42Å; L224-L239 HydrophobicContact CD1-CB 4.16Å; L224-L239 HydrophobicContact CD1-CD1 4.31Å; L224-L240 HydrophobicContact CD1-CD2 4.42Å; L224-L240 HydrophobicContact CD1-CG 4.23Å; L224-L240 HydrophobicContact CD2-CD2 3.82Å; L224-A244 HydrophobicContact CB-CB 4.33Å; L224-A244 HydrophobicContact CD2-CB 4.06Å; L224-P256 HydrophobicContact CB-CG 4.14Å; L224-P256 HydrophobicContact CD2-CB 4.1Å; L224-P256 HydrophobicContact CD2-CG 3.88Å; L224-P256 HydrophobicContact CG-CB 3.88Å; L224-P256 HydrophobicContact CG-CG 3.87Å; L224-L277 HydrophobicContact CD1-CD2 4.36Å; L224-L277 HydrophobicContact CD2-CD2 4.01Å; L224-L277 HydrophobicContact CG-CD2 4.39Å |
| 225 | H | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.7 | -45.3 | 172.7 | -65.4 | 84.6 | 0 | 0 | 0 | 111.5 | K221 T222 P223 A227 V228 E229 L248 Q254 P256 | K221-H225 HydrophobicContact CB-CB 4.1Å; K221-H225 HydrophobicContact CG-CB 4.41Å; T222-H225 PolarHBondContact N-ND1 2.85Å; T222-H225 VanDerWaalsContact N-ND1 3.14Å; T222-H225 WeakPolarHBondContact O-CB 3.31Å; T222-H225 PolarHBondContact O-N 2.88Å; T222-H225 PolarHBondContact OG1-ND1 3.18Å; P223-H225 VanDerWaalsContact C-N 3.35Å; P223-H225 PolarHBondContact O-N 2.64Å; H225-A227 VanDerWaalsContact C-N 3.35Å; H225-A227 PolarHBondContact O-N 2.84Å; H225-V228 PolarHBondContact O-N 2.92Å; H225-E229 WeakPolarHBondContact O-CG 3.32Å; H225-E229 PolarHBondContact O-N 3.21Å; H225-L248 PolarHBondContact CE1-O 3.07Å; H225-L248 VanDerWaalsContact CE1-O 3.23Å; H225-Q254 PolarHBondContact NE2-O 2.7Å; H225-P256 WeakPolarHBondContact NE2-CD 3.26Å |
| 226 | F | 96.7 | Very high | 95.2 | Very high | 7 Ų | 7 | 39.5 Ų | 39.5 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.5 | -40.2 | 178.1 | -72.2 | -88 | 0 | 0 | 0 | 112 | Y187 H191 L194 K195 K221 T222 P223 L224 V228 E229 Q230 | Y187-F226 HydrophobicContact CD1-CZ 4.09Å; Y187-F226 HydrophobicContact CE1-CE1 4.08Å; Y187-F226 AromaticContact CE1-CZ 3.56Å; Y187-F226 HydrophobicContact CE1-CZ 3.56Å; H191-F226 AromaticContact CD2-CD2 3.45Å; H191-F226 VanDerWaalsContact CD2-CD2 3.45Å; H191-F226 WeakPolarHBondContact CD2-CD2 3.42Å; H191-F226 AromaticContact CD2-CE2 3.34Å; H191-F226 WeakPolarHBondContact CD2-CE2 3.33Å; H191-F226 AromaticContact NE2-CE2 3.88Å; L194-F226 HydrophobicContact CB-CB 4.09Å; L194-F226 HydrophobicContact CD1-CB 4.4Å; K195-F226 VanDerWaalsContact CE-CE1 3.43Å; K195-F226 HydrophobicContact CG-CD1 4.14Å; K221-F226 HydrophobicContact CB-CD2 4.28Å; K221-F226 HydrophobicContact CB-CE2 3.57Å; K221-F226 HydrophobicContact CB-CZ 4.11Å; K221-F226 HydrophobicContact CD-CZ 4.41Å; T222-F226 WeakPolarHBondContact O-CD2 3.16Å; T222-F226 PolarHBondContact O-N 2.92Å; P223-F226 PolarHBondContact O-N 3.13Å; L224-F226 PolarHBondContact O-N 3.15Å; F226-V228 VanDerWaalsContact C-N 3.32Å; F226-V228 PolarHBondContact O-N 2.99Å; F226-E229 PolarHBondContact O-N 3.43Å; F226-Q230 WeakPolarHBondContact O-CG 3.15Å; F226-Q230 PolarHBondContact O-N 3.21Å |
| 227 | A | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.9 | -41 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L194 P223 L224 H225 Q230 K231 N232 V236 L239 | L194-A227 HydrophobicContact CD2-CB 4.16Å; P223-A227 PolarHBondContact O-N 3.22Å; L224-A227 PolarHBondContact O-N 3.03Å; H225-A227 VanDerWaalsContact C-N 3.35Å; H225-A227 PolarHBondContact O-N 2.84Å; A227-Q230 PolarHBondContact O-N 2.97Å; A227-K231 PolarHBondContact O-N 2.91Å; A227-N232 PolarHBondContact O-N 2.96Å; A227-V236 HydrophobicContact CB-CG2 3.81Å; A227-L239 HydrophobicContact CB-CD1 3.61Å |
| 228 | V | 95.3 | Very high | 95 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.4 | -45.3 | 176.1 | 173 | 0 | 0 | 0 | 0 | 111.5 | L224 H225 F226 Q230 K231 V236 P256 V259 A260 L263 I273 L277 | L224-V228 WeakPolarHBondContact O-CG2 3.23Å; L224-V228 PolarHBondContact O-N 3.21Å; L224-V228 VanDerWaalsContact O-N 3.1Å; H225-V228 PolarHBondContact O-N 2.92Å; F226-V228 VanDerWaalsContact C-N 3.32Å; F226-V228 PolarHBondContact O-N 2.99Å; V228-Q230 PolarHBondContact O-N 2.98Å; V228-K231 WeakPolarHBondContact O-CA 3.28Å; V228-K231 PolarHBondContact O-N 3.09Å; V228-V236 HydrophobicContact CG2-CG2 3.98Å; V228-P256 HydrophobicContact CG2-CB 4.22Å; V228-V259 HydrophobicContact CG1-CB 4.21Å; V228-V259 HydrophobicContact CG1-CG1 3.9Å; V228-A260 HydrophobicContact CG1-CB 3.68Å; V228-L263 HydrophobicContact CG1-CD1 4.09Å; V228-I273 HydrophobicContact CG1-CG2 4.43Å; V228-I273 HydrophobicContact CG2-CG2 4.02Å; V228-L277 HydrophobicContact CG2-CD1 3.89Å |
| 229 | E | 93.4 | Very high | 95.1 | Very high | 66 Ų | 66 | 30 Ų | 30 | 31% | 0.308 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -59.6 | -33.4 | 176.9 | -73.4 | 174.9 | 176.4 | 0 | 0 | 112.6 | K221 H225 F226 K231 V259 | K221-E229 IonicContact NZ-OE1 2.69Å; K221-E229 PolarHBondContact NZ-OE1 2.81Å; H225-E229 WeakPolarHBondContact O-CG 3.32Å; H225-E229 PolarHBondContact O-N 3.21Å; F226-E229 PolarHBondContact O-N 3.43Å; E229-K231 PolarHBondContact O-N 3.16Å; E229-V259 HydrophobicContact CG-CG1 3.98Å |
| 230 | Q | 92.9 | Very high | 95.1 | Very high | 81 Ų | 81 | 26.7 Ų | 26.7 | 38% | 0.379 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -6.8 | 175.1 | -66.6 | -69 | -40.1 | 0 | 0 | 113.5 | L194 F226 A227 V228 N232 | L194-Q230 WeakPolarHBondContact O-CG 3.46Å; F226-Q230 WeakPolarHBondContact O-CG 3.15Å; F226-Q230 PolarHBondContact O-N 3.21Å; A227-Q230 PolarHBondContact O-N 2.97Å; V228-Q230 PolarHBondContact O-N 2.98Å; Q230-N232 HydrophobicContact CB-CB 4.4Å; Q230-N232 PolarHBondContact O-N 2.92Å |
| 231 | K | 92.8 | Very high | 94.8 | Very high | 76 Ų | 76 | 20.4 Ų | 20.4 | 33% | 0.33 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 35.8 | -178.6 | -53.2 | 175.9 | -174.6 | 180 | 0 | 112 | A227 V228 E229 L263 V270 | A227-K231 PolarHBondContact O-N 2.91Å; V228-K231 WeakPolarHBondContact O-CA 3.28Å; V228-K231 PolarHBondContact O-N 3.09Å; E229-K231 PolarHBondContact O-N 3.16Å; K231-L263 HydrophobicContact CG-CD1 4.48Å; K231-V270 HydrophobicContact CD-CG2 4.21Å; K231-V270 HydrophobicContact CG-CG2 4.27Å |
| 232 | N | 93.2 | Very high | 94.6 | Very high | 37 Ų | 37 | 18.5 Ų | 18.5 | 20% | 0.198 | 9% | 0.087 | C | C | . | . | trans | -108.4 | 102.3 | -176.4 | -170.2 | -38.6 | 0 | 0 | 0 | 110.7 | A227 Q230 H234 Y235 V236 | A227-N232 PolarHBondContact O-N 2.96Å; Q230-N232 HydrophobicContact CB-CB 4.4Å; Q230-N232 PolarHBondContact O-N 2.92Å; N232-H234 VanDerWaalsContact C-N 3.3Å; N232-H234 PolarHBondContact O-N 3.26Å; N232-H234 PolarHBondContact OD1-N 3.04Å; N232-H234 VanDerWaalsContact OD1-N 3.14Å; N232-Y235 HydrophobicContact CB-CD1 4.36Å; N232-Y235 HydrophobicContact CB-CD2 3.74Å; N232-Y235 HydrophobicContact CB-CE2 4.26Å; N232-Y235 HydrophobicContact CB-CG 3.81Å; N232-Y235 WeakPolarHBondContact ND2-CE1 3.37Å; N232-Y235 WeakPolarHBondContact O-CB 3.49Å; N232-Y235 PolarHBondContact O-N 3.08Å; N232-Y235 VanDerWaalsContact O-N 3.11Å; N232-Y235 PolarHBondContact OD1-N 2.6Å; N232-V236 PolarHBondContact O-N 3.2Å | ||
| 233 | L | 93.2 | Very high | 94.2 | Very high | 22 Ų | 22 | 19.8 Ų | 19.8 | 12% | 0.115 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -54.4 | -43.8 | -178.9 | -177.9 | 67.3 | 0 | 0 | 0 | 112.8 | Y235 V236 K237 E272 I273 | L233-Y235 VanDerWaalsContact C-N 3.3Å; L233-Y235 PolarHBondContact O-N 2.97Å; L233-V236 PolarHBondContact O-N 3.11Å; L233-K237 HydrophobicContact CD1-CG 4.39Å; L233-K237 HydrophobicContact CG-CD 4.15Å; L233-K237 HydrophobicContact CG-CG 4.34Å; L233-K237 WeakPolarHBondContact O-CG 3.16Å; L233-K237 PolarHBondContact O-N 3.47Å; L233-E272 HydrophobicContact CD1-CB 4.21Å; L233-E272 VanDerWaalsContact CD2-OE2 3.27Å; L233-E272 WeakPolarHBondContact CD2-OE2 3.48Å; L233-I273 HydrophobicContact CB-CG1 4.43Å; L233-I273 HydrophobicContact CD1-CG1 4Å |
| 234 | H | 94.7 | Very high | 94 | Very high | 53 Ų | 53 | 20.2 Ų | 20.2 | 25% | 0.245 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.3 | -30.7 | -178.1 | -65.1 | -69.9 | 0 | 0 | 0 | 112.5 | L200 N232 A238 D620 | L200-H234 HydrophobicContact CD1-CB 4.13Å; L200-H234 HydrophobicContact CD2-CB 4.05Å; N232-H234 VanDerWaalsContact C-N 3.3Å; N232-H234 PolarHBondContact O-N 3.26Å; N232-H234 PolarHBondContact OD1-N 3.04Å; N232-H234 VanDerWaalsContact OD1-N 3.14Å; H234-A238 WeakPolarHBondContact O-CB 3.35Å; H234-A238 PolarHBondContact O-N 3.17Å; H234-D620 IonicContact CE1-OD2 2.98Å; H234-D620 IonicContact ND1-OD2 3.77Å |
| 235 | Y | 96.4 | Very high | 93.7 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.4 | -43.8 | 173.4 | -68 | 1.3 | 0 | 0 | 0 | 110.9 | L194 K196 N198 N199 L200 I203 N232 L233 A238 L239 | L194-Y235 HydrophobicContact CD2-CD2 3.69Å; L194-Y235 HydrophobicContact CD2-CE2 4.39Å; L194-Y235 HydrophobicContact CD2-CG 3.98Å; L194-Y235 WeakPolarHBondContact O-CE2 3.33Å; K196-Y235 PolarHBondContact O-OH 2.96Å; N198-Y235 PolarHBondContact N-OH 3.29Å; N199-Y235 PolarHBondContact N-OH 2.89Å; L200-Y235 HydrophobicContact CB-CD1 4.5Å; L200-Y235 HydrophobicContact CB-CE1 4.08Å; L200-Y235 HydrophobicContact CD1-CD1 3.9Å; L200-Y235 HydrophobicContact CD1-CE1 4.32Å; I203-Y235 HydrophobicContact CD1-CD1 3.66Å; I203-Y235 HydrophobicContact CD1-CD2 4Å; I203-Y235 HydrophobicContact CD1-CE1 3.47Å; I203-Y235 VanDerWaalsContact CD1-CE1 3.47Å; I203-Y235 HydrophobicContact CD1-CE2 3.82Å; I203-Y235 HydrophobicContact CD1-CG 3.93Å; N232-Y235 HydrophobicContact CB-CD1 4.36Å; N232-Y235 HydrophobicContact CB-CD2 3.74Å; N232-Y235 HydrophobicContact CB-CE2 4.26Å; N232-Y235 HydrophobicContact CB-CG 3.81Å; N232-Y235 WeakPolarHBondContact ND2-CE1 3.37Å; N232-Y235 WeakPolarHBondContact O-CB 3.49Å; N232-Y235 PolarHBondContact O-N 3.08Å; N232-Y235 VanDerWaalsContact O-N 3.11Å; N232-Y235 PolarHBondContact OD1-N 2.6Å; L233-Y235 VanDerWaalsContact C-N 3.3Å; L233-Y235 PolarHBondContact O-N 2.97Å; Y235-A238 PolarHBondContact O-N 3.19Å; Y235-L239 VanDerWaalsContact O-CG 3.27Å; Y235-L239 WeakPolarHBondContact O-CG 3.43Å; Y235-L239 PolarHBondContact O-N 2.95Å |
| 236 | V | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60 | -53.3 | 176.7 | 173.2 | 0 | 0 | 0 | 0 | 110.1 | L224 A227 V228 N232 L233 A238 L239 L240 I273 L277 | L224-V236 HydrophobicContact CD1-CB 4.49Å; L224-V236 HydrophobicContact CD1-CG1 4.07Å; A227-V236 HydrophobicContact CB-CG2 3.81Å; V228-V236 HydrophobicContact CG2-CG2 3.98Å; N232-V236 PolarHBondContact O-N 3.2Å; L233-V236 PolarHBondContact O-N 3.11Å; V236-A238 PolarHBondContact O-N 3Å; V236-L239 PolarHBondContact O-N 3.46Å; V236-L240 HydrophobicContact CG1-CD1 3.79Å; V236-L240 WeakPolarHBondContact O-CG 3.1Å; V236-L240 PolarHBondContact O-N 3.19Å; V236-I273 HydrophobicContact CG1-CG2 4.47Å; V236-I273 HydrophobicContact CG2-CD1 4.35Å; V236-I273 HydrophobicContact CG2-CG1 4.29Å; V236-I273 HydrophobicContact CG2-CG2 4.14Å; V236-L277 HydrophobicContact CG1-CD2 4.34Å; V236-L277 HydrophobicContact CG1-CG 4.48Å |
| 237 | K | 93.1 | Very high | 93.2 | Very high | 26 Ų | 26 | 25.6 Ų | 25.6 | 11% | 0.113 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -55.5 | -49.5 | 177.1 | -71.1 | -178.6 | 167.2 | 173.9 | 0 | 111.8 | L233 L239 L240 I241 I619 D620 W623 | L233-K237 HydrophobicContact CD1-CG 4.39Å; L233-K237 HydrophobicContact CG-CD 4.15Å; L233-K237 HydrophobicContact CG-CG 4.34Å; L233-K237 WeakPolarHBondContact O-CG 3.16Å; L233-K237 PolarHBondContact O-N 3.47Å; K237-L239 PolarHBondContact O-N 3.45Å; K237-L240 PolarHBondContact O-N 2.82Å; K237-I241 HydrophobicContact CB-CD1 4.38Å; K237-I241 VanDerWaalsContact O-CB 3.27Å; K237-I241 WeakPolarHBondContact O-CB 3.19Å; K237-I241 WeakPolarHBondContact O-CD1 3.39Å; K237-I241 VanDerWaalsContact O-CG1 3.32Å; K237-I241 WeakPolarHBondContact O-CG1 3.48Å; K237-I241 PolarHBondContact O-N 3.15Å; K237-I619 HydrophobicContact CB-CG2 3.74Å; K237-D620 IonicContact NZ-OD1 3.41Å; K237-D620 PolarHBondContact NZ-OD1 3.41Å; K237-W623 HydrophobicContact CB-CD2 4.3Å; K237-W623 HydrophobicContact CB-CE3 3.76Å; K237-W623 HydrophobicContact CB-CZ3 4.27Å; K237-W623 HydrophobicContact CD-CB 4.26Å; K237-W623 HydrophobicContact CD-CD2 3.96Å; K237-W623 HydrophobicContact CD-CE3 4.28Å; K237-W623 HydrophobicContact CD-CG 3.9Å; K237-W623 HydrophobicContact CG-CD2 3.68Å; K237-W623 HydrophobicContact CG-CE3 3.54Å; K237-W623 HydrophobicContact CG-CG 4.16Å; K237-W623 HydrophobicContact CG-CZ3 4Å |
| 238 | A | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -55.1 | -51 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L200 H234 Y235 V236 L240 I241 F242 I619 | L200-A238 HydrophobicContact CD1-CB 4.12Å; H234-A238 WeakPolarHBondContact O-CB 3.35Å; H234-A238 PolarHBondContact O-N 3.17Å; Y235-A238 PolarHBondContact O-N 3.19Å; V236-A238 PolarHBondContact O-N 3Å; A238-L240 PolarHBondContact O-N 2.7Å; A238-I241 PolarHBondContact O-N 2.99Å; A238-F242 WeakPolarHBondContact O-CD2 3.47Å; A238-F242 PolarHBondContact O-N 3.49Å; A238-I619 HydrophobicContact CB-CD1 3.67Å; A238-I619 HydrophobicContact CB-CG1 4.35Å |
| 239 | L | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.1 | -47.3 | -178.9 | -70.1 | 171.5 | 0 | 0 | 0 | 111.7 | L190 L194 L207 V213 P223 L224 A227 Y235 V236 K237 I241 F242 G243 A244 | L190-L239 HydrophobicContact CD1-CD2 4.48Å; L190-L239 HydrophobicContact CD2-CD2 4.2Å; L194-L239 HydrophobicContact CD1-CD1 4.2Å; L194-L239 HydrophobicContact CD2-CD1 4.12Å; L207-L239 HydrophobicContact CD1-CD2 4.04Å; L207-L239 HydrophobicContact CD2-CD2 4.15Å; V213-L239 HydrophobicContact CG2-CB 4.35Å; V213-L239 HydrophobicContact CG2-CD2 3.8Å; P223-L239 VanDerWaalsContact C-CD1 3.47Å; P223-L239 HydrophobicContact CB-CD1 3.99Å; P223-L239 HydrophobicContact CB-CD2 3.83Å; P223-L239 WeakPolarHBondContact O-CD1 3.42Å; L224-L239 HydrophobicContact CB-CD1 4.42Å; L224-L239 HydrophobicContact CD1-CB 4.16Å; L224-L239 HydrophobicContact CD1-CD1 4.31Å; A227-L239 HydrophobicContact CB-CD1 3.61Å; Y235-L239 VanDerWaalsContact O-CG 3.27Å; Y235-L239 WeakPolarHBondContact O-CG 3.43Å; Y235-L239 PolarHBondContact O-N 2.95Å; V236-L239 PolarHBondContact O-N 3.46Å; K237-L239 PolarHBondContact O-N 3.45Å; L239-I241 PolarHBondContact O-N 2.83Å; L239-F242 CarbonylContact O-C 2.88Å; L239-F242 PolarHBondContact O-N 3.1Å; L239-F242 VanDerWaalsContact O-N 3.13Å; L239-G243 PolarHBondContact O-N 3.28Å; L239-A244 VanDerWaalsContact C-CB 3.42Å; L239-A244 HydrophobicContact CB-CB 3.86Å; L239-A244 WeakPolarHBondContact O-CB 3.43Å; L239-A244 PolarHBondContact O-N 2.94Å |
| 240 | L | 92 | Very high | 93.2 | Very high | 9 Ų | 9 | 31 Ų | 31 | 5% | 0.047 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60 | -46.4 | 177.2 | -69.8 | 170.3 | 0 | 0 | 0 | 111.8 | L224 V236 K237 A238 F242 G243 L277 F280 W623 | L224-L240 HydrophobicContact CD1-CD2 4.42Å; L224-L240 HydrophobicContact CD1-CG 4.23Å; L224-L240 HydrophobicContact CD2-CD2 3.82Å; V236-L240 HydrophobicContact CG1-CD1 3.79Å; V236-L240 WeakPolarHBondContact O-CG 3.1Å; V236-L240 PolarHBondContact O-N 3.19Å; K237-L240 PolarHBondContact O-N 2.82Å; A238-L240 PolarHBondContact O-N 2.7Å; L240-F242 PolarHBondContact O-N 2.9Å; L240-G243 WeakPolarHBondContact O-CA 3.5Å; L240-G243 PolarHBondContact O-N 3.49Å; L240-L277 HydrophobicContact CD1-CD2 4.16Å; L240-L277 HydrophobicContact CD2-CD2 4.34Å; L240-F280 HydrophobicContact CD1-CD2 4.45Å; L240-F280 HydrophobicContact CD1-CE2 4.24Å; L240-F280 HydrophobicContact CD2-CD2 4.19Å; L240-F280 HydrophobicContact CD2-CE2 4.42Å; L240-W623 HydrophobicContact CB-CZ3 3.92Å; L240-W623 HydrophobicContact CD1-CH2 3.67Å; L240-W623 HydrophobicContact CD1-CZ3 3.58Å; L240-W623 HydrophobicContact CG-CZ3 4.41Å |
| 241 | I | 89.9 | Confident | 93.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.8 | -35.7 | 175.6 | -81.6 | 158.7 | 0 | 0 | 0 | 112.1 | K237 A238 L239 G243 Q343 R388 Q391 I619 C622 W623 | K237-I241 HydrophobicContact CB-CD1 4.38Å; K237-I241 VanDerWaalsContact O-CB 3.27Å; K237-I241 WeakPolarHBondContact O-CB 3.19Å; K237-I241 WeakPolarHBondContact O-CD1 3.39Å; K237-I241 VanDerWaalsContact O-CG1 3.32Å; K237-I241 WeakPolarHBondContact O-CG1 3.48Å; K237-I241 PolarHBondContact O-N 3.15Å; A238-I241 PolarHBondContact O-N 2.99Å; L239-I241 PolarHBondContact O-N 2.83Å; I241-G243 VanDerWaalsContact C-N 3.28Å; I241-Q343 PolarHBondContact O-NE2 2.92Å; I241-R388 PolarHBondContact O-NH1 2.85Å; I241-Q391 PolarHBondContact O-NE2 2.88Å; I241-I619 HydrophobicContact CD1-CB 4.37Å; I241-I619 HydrophobicContact CD1-CG2 3.72Å; I241-I619 WeakPolarHBondContact CD1-O 3.39Å; I241-C622 HydrophobicContact CD1-CB 3.66Å; I241-C622 HydrophobicContact CG1-CB 3.93Å; I241-C622 HydrophobicContact CG2-CB 3.9Å; I241-W623 HydrophobicContact CD1-CB 4.03Å; I241-W623 HydrophobicContact CD1-CE3 4.23Å; I241-W623 HydrophobicContact CG1-CE3 4.32Å |
| 242 | F | 91.7 | Very high | 93.4 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 1% | 0.013 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 6.2 | 176.5 | -82.2 | -76.8 | 0 | 0 | 0 | 114.2 | T204 L207 V213 A238 L239 L240 R388 R392 F395 | T204-F242 HydrophobicContact CG2-CE2 4.19Å; T204-F242 HydrophobicContact CG2-CZ 4.36Å; L207-F242 HydrophobicContact CB-CB 4.29Å; L207-F242 HydrophobicContact CB-CD1 3.8Å; L207-F242 HydrophobicContact CB-CD2 3.69Å; L207-F242 HydrophobicContact CB-CE1 3.96Å; L207-F242 HydrophobicContact CB-CE2 3.87Å; L207-F242 HydrophobicContact CB-CG 3.66Å; L207-F242 HydrophobicContact CB-CZ 3.99Å; L207-F242 HydrophobicContact CD1-CB 4.15Å; L207-F242 HydrophobicContact CD1-CD2 3.49Å; L207-F242 VanDerWaalsContact CD1-CD2 3.49Å; L207-F242 HydrophobicContact CD1-CE2 4.09Å; L207-F242 HydrophobicContact CD1-CG 3.96Å; L207-F242 HydrophobicContact CD2-CB 4.2Å; L207-F242 HydrophobicContact CD2-CG 4.48Å; L207-F242 HydrophobicContact CG-CB 4.45Å; L207-F242 HydrophobicContact CG-CD2 4.15Å; L207-F242 HydrophobicContact CG-CG 4.23Å; V213-F242 HydrophobicContact CG2-CB 4.39Å; A238-F242 WeakPolarHBondContact O-CD2 3.47Å; A238-F242 PolarHBondContact O-N 3.49Å; L239-F242 CarbonylContact O-C 2.88Å; L239-F242 PolarHBondContact O-N 3.1Å; L239-F242 VanDerWaalsContact O-N 3.13Å; L240-F242 PolarHBondContact O-N 2.9Å; F242-R388 VanDerWaalsContact C-NH1 3.29Å; F242-R388 VanDerWaalsContact CA-NH1 3.32Å; F242-R392 HydrophobicContact CD1-CG 4.44Å; F242-R392 HydrophobicContact CE1-CG 4.13Å; F242-F395 HydrophobicContact CE1-CD2 4.08Å; F242-F395 HydrophobicContact CE1-CE2 4.44Å; F242-F395 HydrophobicContact CE2-CD2 4.36Å; F242-F395 HydrophobicContact CE2-CE2 4.18Å; F242-F395 HydrophobicContact CE2-CZ 4.29Å; F242-F395 HydrophobicContact CZ-CB 4.35Å; F242-F395 HydrophobicContact CZ-CD1 4.25Å; F242-F395 AromaticContact CZ-CD2 3.5Å; F242-F395 HydrophobicContact CZ-CD2 3.5Å; F242-F395 VanDerWaalsContact CZ-CD2 3.5Å; F242-F395 HydrophobicContact CZ-CE1 4.45Å; F242-F395 AromaticContact CZ-CE2 3.73Å; F242-F395 HydrophobicContact CZ-CE2 3.73Å; F242-F395 AromaticContact CZ-CG 3.79Å; F242-F395 HydrophobicContact CZ-CG 3.79Å; F242-F395 HydrophobicContact CZ-CZ 4.21Å |
| 243 | G | 89.8 | Confident | 93.4 | Very high | 31 Ų | 31 | 32 Ų | 32 | 32% | 0.32 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | 32 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | V213 N214 L239 L240 I241 D245 | V213-G243 WeakPolarHBondContact CG1-O 3.37Å; N214-G243 PolarHBondContact ND2-O 3.39Å; L239-G243 PolarHBondContact O-N 3.28Å; L240-G243 WeakPolarHBondContact O-CA 3.5Å; L240-G243 PolarHBondContact O-N 3.49Å; I241-G243 VanDerWaalsContact C-N 3.28Å; G243-D245 PolarHBondContact O-N 3Å |
| 244 | A | 92.8 | Very high | 93.5 | Very high | 9 Ų | 9 | 34.4 Ų | 34.4 | 7% | 0.074 | 20% | 0.199 | C | C | . | . | trans | -62.7 | 132 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V213 N214 L224 L239 | V213-A244 HydrophobicContact CG2-CB 3.72Å; N214-A244 WeakPolarHBondContact OD1-CA 3.17Å; L224-A244 HydrophobicContact CB-CB 4.33Å; L224-A244 HydrophobicContact CD2-CB 4.06Å; L239-A244 VanDerWaalsContact C-CB 3.42Å; L239-A244 HydrophobicContact CB-CB 3.86Å; L239-A244 WeakPolarHBondContact O-CB 3.43Å; L239-A244 PolarHBondContact O-N 2.94Å | ||
| 245 | D | 91.5 | Very high | 93.5 | Very high | 58 Ų | 58 | 32.5 Ų | 32.5 | 31% | 0.31 | 19% | 0.192 | S | C | . | . | trans | -86.9 | 111.4 | 176.5 | -176.9 | -7.2 | 0 | 0 | 0 | 109.5 | N214 G243 S247 L248 | N214-D245 PolarHBondContact OD1-N 3.14Å; G243-D245 PolarHBondContact O-N 3Å; D245-S247 VanDerWaalsContact C-N 3.3Å; D245-S247 VanDerWaalsContact CG-OG 3.3Å; D245-S247 VanDerWaalsContact OD1-CB 3.27Å; D245-S247 WeakPolarHBondContact OD1-CB 3.49Å; D245-S247 PolarHBondContact OD1-N 3.09Å; D245-S247 PolarHBondContact OD1-OG 2.78Å; D245-S247 PolarHBondContact OD2-OG 3.45Å; D245-L248 HydrophobicContact CB-CD1 3.84Å; D245-L248 HydrophobicContact CB-CG 3.86Å | ||
| 246 | S | 91.6 | Very high | 93.5 | Very high | 14 Ų | 14 | 32.4 Ų | 32.4 | 10% | 0.098 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -11.1 | 177.8 | 50.7 | 0 | 0 | 0 | 0 | 113.9 | P256 F280 | S246-P256 WeakPolarHBondContact O-CD 3.05Å; S246-F280 WeakPolarHBondContact OG-CB 3.33Å; S246-F280 PolarHBondContact OG-O 3.3Å |
| 247 | S | 91.6 | Very high | 93.4 | Very high | 48 Ų | 48 | 32.8 Ų | 32.8 | 34% | 0.336 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -21.2 | 178.4 | 75.8 | 0 | 0 | 0 | 0 | 112.7 | D245 | D245-S247 VanDerWaalsContact C-N 3.3Å; D245-S247 VanDerWaalsContact CG-OG 3.3Å; D245-S247 VanDerWaalsContact OD1-CB 3.27Å; D245-S247 WeakPolarHBondContact OD1-CB 3.49Å; D245-S247 PolarHBondContact OD1-N 3.09Å; D245-S247 PolarHBondContact OD1-OG 2.78Å; D245-S247 PolarHBondContact OD2-OG 3.45Å |
| 248 | L | 94.1 | Very high | 93.5 | Very high | 60 Ų | 60 | 34.5 Ų | 34.5 | 31% | 0.314 | 20% | 0.202 | S | C | . | . | trans | -63.1 | 136.5 | -177.3 | -63.5 | 178.1 | 0 | 0 | 0 | 111.8 | N214 T222 H225 D245 P256 | N214-L248 HydrophobicContact CB-CD1 3.83Å; T222-L248 HydrophobicContact CG2-CB 3.78Å; T222-L248 HydrophobicContact CG2-CD1 3.75Å; T222-L248 HydrophobicContact CG2-CG 4.43Å; H225-L248 PolarHBondContact CE1-O 3.07Å; H225-L248 VanDerWaalsContact CE1-O 3.23Å; D245-L248 HydrophobicContact CB-CD1 3.84Å; D245-L248 HydrophobicContact CB-CG 3.86Å; L248-P256 WeakPolarHBondContact O-CD 3.46Å | ||
| 249 | R | 95.7 | Very high | 93.4 | Very high | 113 Ų | 113 | 35.2 Ų | 35.2 | 43% | 0.426 | 21% | 0.206 | S | C | . | . | trans | -105.4 | 140.7 | -176 | -64.4 | 176.3 | -177 | -90 | -1.5 | 112.4 | G253 Q254 T255 E282 | R249-G253 PolarHBondContact NH1-O 2.89Å; R249-Q254 CarbonylContact C-O 3.6Å; R249-Q254 VanDerWaalsContact CA-O 3.3Å; R249-Q254 WeakPolarHBondContact CA-O 3.36Å; R249-T255 HydrophobicContact CG-CG2 3.84Å; R249-E282 IonicContact NH2-OE2 2.67Å | ||
| 250 | S | 95.1 | Very high | 93.3 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 6% | 0.056 | 21% | 0.206 | C | C | . | . | trans | -66.7 | 173.7 | 167.7 | 75.3 | 0 | 0 | 0 | 0 | 112 | D252 G253 Q254 | S250-D252 PolarHBondContact O-N 3.47Å; S250-D252 PolarHBondContact OG-N 3.28Å; S250-G253 PolarHBondContact O-N 3.05Å; S250-Q254 PolarHBondContact N-O 2.88Å; S250-Q254 PolarHBondContact OG-N 3.47Å | ||
| 251 | A | 95.4 | Very high | 93.2 | Very high | 62 Ų | 62 | 38.6 Ų | 38.6 | 51% | 0.512 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D219 G253 | D219-A251 VanDerWaalsContact O-CB 3.23Å; D219-A251 WeakPolarHBondContact O-CB 3.33Å; D219-A251 PolarHBondContact O-N 3.28Å; A251-G253 PolarHBondContact O-N 2.94Å |
| 252 | D | 94 | Very high | 93.3 | Very high | 125 Ų | 125 | 42.4 Ų | 42.4 | 67% | 0.668 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 8.1 | 176.7 | -52.2 | -47.4 | 0 | 0 | 0 | 113 | S250 Q254 | S250-D252 PolarHBondContact O-N 3.47Å; S250-D252 PolarHBondContact OG-N 3.28Å; D252-Q254 VanDerWaalsContact C-N 3.26Å; D252-Q254 HydrophobicContact CB-CG 4.25Å; D252-Q254 PolarHBondContact O-N 3.28Å |
| 253 | G | 94.4 | Very high | 93.1 | Very high | 30 Ų | 30 | 44.1 Ų | 44.1 | 31% | 0.309 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 76.2 | 6.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | R249 S250 A251 | R249-G253 PolarHBondContact NH1-O 2.89Å; S250-G253 PolarHBondContact O-N 3.05Å; A251-G253 PolarHBondContact O-N 2.94Å |
| 254 | Q | 95 | Very high | 92.2 | Very high | 72 Ų | 72 | 45.5 Ų | 45.5 | 34% | 0.336 | 26% | 0.262 | S | S | . | . | trans | -81.8 | 134.1 | -178 | -59.6 | -68.4 | -60.7 | 0 | 0 | 110.9 | H225 R249 S250 D252 M258 V259 | H225-Q254 PolarHBondContact NE2-O 2.7Å; R249-Q254 CarbonylContact C-O 3.6Å; R249-Q254 VanDerWaalsContact CA-O 3.3Å; R249-Q254 WeakPolarHBondContact CA-O 3.36Å; S250-Q254 PolarHBondContact N-O 2.88Å; S250-Q254 PolarHBondContact OG-N 3.47Å; D252-Q254 VanDerWaalsContact C-N 3.26Å; D252-Q254 HydrophobicContact CB-CG 4.25Å; D252-Q254 PolarHBondContact O-N 3.28Å; Q254-M258 HydrophobicContact CB-CB 4.41Å; Q254-M258 VanDerWaalsContact OE1-CB 3.22Å; Q254-V259 HydrophobicContact CB-CG2 3.9Å | ||
| 255 | T | 95.3 | Very high | 91.1 | Very high | 13 Ų | 13 | 56.6 Ų | 56.6 | 8% | 0.08 | 30% | 0.302 | C | S | . | . | trans | -83.5 | 164 | 163.2 | 65.7 | 0 | 0 | 0 | 0 | 110 | R249 L257 M258 V259 | R249-T255 HydrophobicContact CG-CG2 3.84Å; T255-L257 PolarHBondContact O-N 3.41Å; T255-M258 HydrophobicContact CG2-SD 4.37Å; T255-M258 PolarHBondContact O-N 3.49Å; T255-M258 WeakPolarHBondContact OG1-CG 2.79Å; T255-M258 PolarHBondContact OG1-N 3.28Å; T255-V259 PolarHBondContact O-N 3.34Å | ||
| 256 | P | 95 | Very high | 89.5 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -53.8 | -35.2 | 172.9 | -27.5 | 36.1 | 0 | 0 | 0 | 113.5 | L224 H225 V228 S246 L248 V259 A260 L277 | L224-P256 HydrophobicContact CB-CG 4.14Å; L224-P256 HydrophobicContact CD2-CB 4.1Å; L224-P256 HydrophobicContact CD2-CG 3.88Å; L224-P256 HydrophobicContact CG-CB 3.88Å; L224-P256 HydrophobicContact CG-CG 3.87Å; H225-P256 WeakPolarHBondContact NE2-CD 3.26Å; V228-P256 HydrophobicContact CG2-CB 4.22Å; S246-P256 WeakPolarHBondContact O-CD 3.05Å; L248-P256 WeakPolarHBondContact O-CD 3.46Å; P256-V259 PolarHBondContact O-N 3.27Å; P256-A260 PolarHBondContact O-N 2.91Å; P256-L277 HydrophobicContact CB-CD1 4.28Å; P256-L277 HydrophobicContact CB-CD2 4.38Å |
| 257 | L | 94.2 | Very high | 88.5 | Confident | 7 Ų | 7 | 65.7 Ų | 65.7 | 4% | 0.037 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 175 | 179.4 | 64.5 | 0 | 0 | 0 | 111.9 | T255 V259 A260 Q261 M274 L277 L278 S281 | T255-L257 PolarHBondContact O-N 3.41Å; L257-V259 VanDerWaalsContact C-N 3.3Å; L257-V259 PolarHBondContact O-N 3.45Å; L257-A260 WeakPolarHBondContact O-CB 3.39Å; L257-A260 PolarHBondContact O-N 3.12Å; L257-A260 VanDerWaalsContact O-N 3.16Å; L257-Q261 WeakPolarHBondContact O-CG 3.43Å; L257-Q261 PolarHBondContact O-N 2.72Å; L257-M274 HydrophobicContact CD1-CB 4.39Å; L257-M274 HydrophobicContact CD1-CG 4.4Å; L257-L277 HydrophobicContact CB-CB 4.38Å; L257-L277 HydrophobicContact CD1-CB 4.03Å; L257-L278 HydrophobicContact CD1-CD2 4.36Å; L257-L278 HydrophobicContact CD2-CD2 4.14Å; L257-S281 VanDerWaalsContact CD2-OG 3.32Å; L257-S281 WeakPolarHBondContact CD2-OG 3.33Å |
| 258 | M | 93.7 | Very high | 87.5 | Confident | 62 Ų | 62 | 70.3 Ų | 70.3 | 31% | 0.305 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.1 | -37.9 | 177.2 | -64.6 | 172.3 | 171.3 | 0 | 0 | 111.5 | Q254 T255 Q261 S262 | Q254-M258 HydrophobicContact CB-CB 4.41Å; Q254-M258 VanDerWaalsContact OE1-CB 3.22Å; T255-M258 HydrophobicContact CG2-SD 4.37Å; T255-M258 PolarHBondContact O-N 3.49Å; T255-M258 WeakPolarHBondContact OG1-CG 2.79Å; T255-M258 PolarHBondContact OG1-N 3.28Å; M258-Q261 PolarHBondContact O-N 3.04Å; M258-S262 PolarHBondContact O-N 2.75Å |
| 259 | V | 93.3 | Very high | 86.7 | Confident | 15 Ų | 15 | 70.9 Ų | 70.9 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.3 | -47.7 | 171.5 | 178.4 | 0 | 0 | 0 | 0 | 110.4 | V228 E229 Q254 T255 P256 L257 Q261 S262 L263 | V228-V259 HydrophobicContact CG1-CB 4.21Å; V228-V259 HydrophobicContact CG1-CG1 3.9Å; E229-V259 HydrophobicContact CG-CG1 3.98Å; Q254-V259 HydrophobicContact CB-CG2 3.9Å; T255-V259 PolarHBondContact O-N 3.34Å; P256-V259 PolarHBondContact O-N 3.27Å; L257-V259 VanDerWaalsContact C-N 3.3Å; L257-V259 PolarHBondContact O-N 3.45Å; V259-Q261 PolarHBondContact O-N 2.9Å; V259-S262 PolarHBondContact O-N 3.11Å; V259-S262 PolarHBondContact O-OG 2.89Å; V259-L263 HydrophobicContact CG1-CD1 4.24Å; V259-L263 WeakPolarHBondContact O-CG 3.4Å; V259-L263 PolarHBondContact O-N 3.49Å |
| 260 | A | 92.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.9 | -44.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V228 P256 L257 S262 L263 S264 V270 I273 M274 L277 | V228-A260 HydrophobicContact CG1-CB 3.68Å; P256-A260 PolarHBondContact O-N 2.91Å; L257-A260 WeakPolarHBondContact O-CB 3.39Å; L257-A260 PolarHBondContact O-N 3.12Å; L257-A260 VanDerWaalsContact O-N 3.16Å; A260-S262 VanDerWaalsContact C-N 3.3Å; A260-S262 PolarHBondContact O-N 3.47Å; A260-L263 WeakPolarHBondContact O-CA 3.5Å; A260-L263 WeakPolarHBondContact O-CB 3.49Å; A260-L263 PolarHBondContact O-N 3.43Å; A260-S264 PolarHBondContact O-N 2.98Å; A260-V270 VanDerWaalsContact O-CG1 3.24Å; A260-V270 WeakPolarHBondContact O-CG1 3.09Å; A260-I273 HydrophobicContact CB-CG2 4.22Å; A260-M274 HydrophobicContact CB-CG 3.68Å; A260-L277 HydrophobicContact CB-CD1 4.27Å |
| 261 | Q | 91.2 | Very high | 85.8 | Confident | 80 Ų | 80 | 68.9 Ų | 68.9 | 37% | 0.374 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.4 | -38 | 176.7 | -72.4 | 172.2 | -11.6 | 0 | 0 | 112.4 | L257 M258 V259 L263 S264 M274 | L257-Q261 WeakPolarHBondContact O-CG 3.43Å; L257-Q261 PolarHBondContact O-N 2.72Å; M258-Q261 PolarHBondContact O-N 3.04Å; V259-Q261 PolarHBondContact O-N 2.9Å; Q261-L263 PolarHBondContact O-N 3.15Å; Q261-S264 VanDerWaalsContact O-CB 3.28Å; Q261-S264 WeakPolarHBondContact O-CB 2.73Å; Q261-S264 PolarHBondContact O-N 2.78Å; Q261-S264 PolarHBondContact O-OG 3.09Å; Q261-M274 HydrophobicContact CB-SD 4.46Å; Q261-M274 HydrophobicContact CG-SD 3.82Å |
| 262 | S | 90.2 | Very high | 85.5 | Confident | 80 Ų | 80 | 69.5 Ų | 69.5 | 56% | 0.559 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -66.2 | -24.7 | 175.4 | 79.5 | 0 | 0 | 0 | 0 | 113.1 | M258 V259 A260 | M258-S262 PolarHBondContact O-N 2.75Å; V259-S262 PolarHBondContact O-N 3.11Å; V259-S262 PolarHBondContact O-OG 2.89Å; A260-S262 VanDerWaalsContact C-N 3.3Å; A260-S262 PolarHBondContact O-N 3.47Å |
| 263 | L | 88 | Confident | 85.3 | Confident | 39 Ų | 39 | 63.6 Ų | 63.6 | 20% | 0.204 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -87.8 | -11.9 | 178.2 | -61.3 | 171.3 | 0 | 0 | 0 | 113.3 | V228 K231 V259 A260 Q261 R265 C266 V270 | V228-L263 HydrophobicContact CG1-CD1 4.09Å; K231-L263 HydrophobicContact CG-CD1 4.48Å; V259-L263 HydrophobicContact CG1-CD1 4.24Å; V259-L263 WeakPolarHBondContact O-CG 3.4Å; V259-L263 PolarHBondContact O-N 3.49Å; A260-L263 WeakPolarHBondContact O-CA 3.5Å; A260-L263 WeakPolarHBondContact O-CB 3.49Å; A260-L263 PolarHBondContact O-N 3.43Å; Q261-L263 PolarHBondContact O-N 3.15Å; L263-R265 PolarHBondContact O-N 3.31Å; L263-C266 WeakPolarHBondContact O-CB 2.91Å; L263-C266 PolarHBondContact O-N 3.22Å; L263-V270 HydrophobicContact CB-CG1 4.19Å; L263-V270 HydrophobicContact CB-CG2 4.28Å |
| 264 | S | 72.2 | Confident | 85.1 | Confident | 60 Ų | 60 | 63.8 Ų | 63.8 | 42% | 0.42 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -20.1 | -174 | 62.1 | 0 | 0 | 0 | 0 | 115.2 | A260 Q261 C266 | A260-S264 PolarHBondContact O-N 2.98Å; Q261-S264 VanDerWaalsContact O-CB 3.28Å; Q261-S264 WeakPolarHBondContact O-CB 2.73Å; Q261-S264 PolarHBondContact O-N 2.78Å; Q261-S264 PolarHBondContact O-OG 3.09Å; S264-C266 PolarHBondContact O-N 3.45Å |
| 265 | R | 68 | Low | 84.7 | Confident | 242 Ų | 242 | 66.7 Ų | 66.7 | 91% | 0.913 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -4.9 | 167.7 | -68.9 | -178.7 | 171.9 | 159.2 | -1.5 | 113.5 | L263 | L263-R265 PolarHBondContact O-N 3.31Š|
| 266 | C | 59.5 | Low | 84.3 | Confident | 55 Ų | 55 | 66.5 Ų | 66.5 | 37% | 0.372 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -127.5 | 96.6 | -177.4 | -66.4 | 0 | 0 | 0 | 0 | 113.5 | L263 S264 V270 | L263-C266 WeakPolarHBondContact O-CB 2.91Å; L263-C266 PolarHBondContact O-N 3.22Å; S264-C266 PolarHBondContact O-N 3.45Å; C266-V270 WeakPolarHBondContact O-CG2 2.82Å |
| 267 | R | 70.9 | Confident | 83.9 | Confident | 209 Ų | 209 | 66.6 Ų | 66.6 | 79% | 0.789 | 31% | 0.313 | S | S | * | . | trans | 61.4 | 157.7 | 155.8 | -59.8 | -177.2 | -177.6 | -177.3 | 0.1 | 118.8 | H269 V270 | R267-H269 VanDerWaalsContact C-N 3.29Å; R267-H269 PolarHBondContact O-N 3.07Å; R267-V270 PolarHBondContact O-N 3.25Å; R267-V270 VanDerWaalsContact O-N 3.12Å | ||
| 268 | W | 69 | Low | 83.4 | Confident | 145 Ų | 145 | 69.3 Ų | 69.3 | 55% | 0.549 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -47.3 | -32.4 | -179.4 | 68.4 | -95.5 | 0 | 0 | 0 | 117.4 | V270 D271 E272 | W268-V270 PolarHBondContact O-N 2.89Å; W268-D271 PolarHBondContact O-N 3.2Å; W268-E272 VanDerWaalsContact CZ3-OE1 3.3Å; W268-E272 WeakPolarHBondContact CZ3-OE1 2.99Å; W268-E272 PolarHBondContact O-N 3.24Å |
| 269 | H | 77.5 | Confident | 82.6 | Confident | 72 Ų | 72 | 67.7 Ų | 67.7 | 33% | 0.333 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65 | -26.9 | -178.9 | -64.1 | 88 | 0 | 0 | 0 | 112.9 | R267 I273 | R267-H269 VanDerWaalsContact C-N 3.29Å; R267-H269 PolarHBondContact O-N 3.07Å; H269-I273 WeakPolarHBondContact O-CG1 3.44Å; H269-I273 PolarHBondContact O-N 3.44Å |
| 270 | V | 84.7 | Confident | 81.7 | Confident | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.012 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -74.7 | -33.5 | 179.2 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | K231 A260 L263 C266 R267 W268 I273 M274 | K231-V270 HydrophobicContact CD-CG2 4.21Å; K231-V270 HydrophobicContact CG-CG2 4.27Å; A260-V270 VanDerWaalsContact O-CG1 3.24Å; A260-V270 WeakPolarHBondContact O-CG1 3.09Å; L263-V270 HydrophobicContact CB-CG1 4.19Å; L263-V270 HydrophobicContact CB-CG2 4.28Å; C266-V270 WeakPolarHBondContact O-CG2 2.82Å; R267-V270 PolarHBondContact O-N 3.25Å; R267-V270 VanDerWaalsContact O-N 3.12Å; W268-V270 PolarHBondContact O-N 2.89Å; V270-I273 PolarHBondContact O-N 3.09Å; V270-M274 HydrophobicContact CG1-CE 4.4Å; V270-M274 HydrophobicContact CG1-CG 4.48Å; V270-M274 WeakPolarHBondContact O-CG 3.33Å; V270-M274 PolarHBondContact O-N 3.13Å |
| 271 | D | 87.7 | Confident | 80.6 | Confident | 77 Ų | 77 | 70.6 Ų | 70.6 | 41% | 0.412 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.3 | -47.2 | 178.3 | -59.2 | -34.4 | 0 | 0 | 0 | 110.8 | W268 I273 M274 E275 | W268-D271 PolarHBondContact O-N 3.2Å; D271-I273 VanDerWaalsContact C-N 3.28Å; D271-I273 PolarHBondContact O-N 3.03Å; D271-M274 HydrophobicContact CB-CE 4.42Å; D271-M274 WeakPolarHBondContact O-CB 3.47Å; D271-M274 PolarHBondContact O-N 2.9Å; D271-M274 VanDerWaalsContact O-N 3.09Å; D271-M274 WeakPolarHBondContact OD1-CE 3.32Å; D271-E275 WeakPolarHBondContact O-CG 3.41Å; D271-E275 PolarHBondContact O-N 2.88Å |
| 272 | E | 88.1 | Confident | 79.3 | Confident | 74 Ų | 74 | 73.4 Ų | 73.4 | 35% | 0.346 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.9 | -36.3 | 174.7 | -67.3 | -177.9 | -169.7 | 0 | 0 | 112.5 | L233 W268 E275 C276 | L233-E272 HydrophobicContact CD1-CB 4.21Å; L233-E272 VanDerWaalsContact CD2-OE2 3.27Å; L233-E272 WeakPolarHBondContact CD2-OE2 3.48Å; W268-E272 VanDerWaalsContact CZ3-OE1 3.3Å; W268-E272 WeakPolarHBondContact CZ3-OE1 2.99Å; W268-E272 PolarHBondContact O-N 3.24Å; E272-E275 PolarHBondContact O-N 3.24Å; E272-C276 PolarHBondContact O-N 2.8Å; E272-C276 PolarHBondContact O-SG 2.79Å |
| 273 | I | 91.5 | Very high | 77.5 | Confident | 2 Ų | 2 | 76.5 Ų | 76.5 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 175 | -73.1 | 170.1 | 0 | 0 | 0 | 110.9 | V228 L233 V236 A260 H269 V270 D271 C276 L277 | V228-I273 HydrophobicContact CG1-CG2 4.43Å; V228-I273 HydrophobicContact CG2-CG2 4.02Å; L233-I273 HydrophobicContact CB-CG1 4.43Å; L233-I273 HydrophobicContact CD1-CG1 4Å; V236-I273 HydrophobicContact CG1-CG2 4.47Å; V236-I273 HydrophobicContact CG2-CD1 4.35Å; V236-I273 HydrophobicContact CG2-CG1 4.29Å; V236-I273 HydrophobicContact CG2-CG2 4.14Å; A260-I273 HydrophobicContact CB-CG2 4.22Å; H269-I273 WeakPolarHBondContact O-CG1 3.44Å; H269-I273 PolarHBondContact O-N 3.44Å; V270-I273 PolarHBondContact O-N 3.09Å; D271-I273 VanDerWaalsContact C-N 3.28Å; D271-I273 PolarHBondContact O-N 3.03Å; I273-C276 WeakPolarHBondContact O-CB 3.24Å; I273-C276 PolarHBondContact O-N 3.47Å; I273-L277 HydrophobicContact CG2-CD1 3.96Å; I273-L277 WeakPolarHBondContact O-CG 3.47Å; I273-L277 PolarHBondContact O-N 2.99Å; I273-L277 VanDerWaalsContact O-N 3.15Å |
| 274 | M | 89.1 | Confident | 75.6 | Confident | 34 Ų | 34 | 79.8 Ų | 79.8 | 17% | 0.167 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 175.5 | -71.7 | -172.9 | -63.4 | 0 | 0 | 110.7 | L257 A260 Q261 V270 D271 C276 L277 L278 | L257-M274 HydrophobicContact CD1-CB 4.39Å; L257-M274 HydrophobicContact CD1-CG 4.4Å; A260-M274 HydrophobicContact CB-CG 3.68Å; Q261-M274 HydrophobicContact CB-SD 4.46Å; Q261-M274 HydrophobicContact CG-SD 3.82Å; V270-M274 HydrophobicContact CG1-CE 4.4Å; V270-M274 HydrophobicContact CG1-CG 4.48Å; V270-M274 WeakPolarHBondContact O-CG 3.33Å; V270-M274 PolarHBondContact O-N 3.13Å; D271-M274 HydrophobicContact CB-CE 4.42Å; D271-M274 WeakPolarHBondContact O-CB 3.47Å; D271-M274 PolarHBondContact O-N 2.9Å; D271-M274 VanDerWaalsContact O-N 3.09Å; D271-M274 WeakPolarHBondContact OD1-CE 3.32Å; M274-C276 VanDerWaalsContact C-N 3.25Å; M274-C276 PolarHBondContact O-N 2.96Å; M274-L277 PolarHBondContact O-N 2.77Å; M274-L278 WeakPolarHBondContact O-CG 3.48Å; M274-L278 PolarHBondContact O-N 3.2Å |
| 275 | E | 86.7 | Confident | 74.1 | Confident | 133 Ų | 133 | 82.3 Ų | 82.3 | 62% | 0.621 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -55.9 | -40.4 | 174.9 | -71.9 | 179.6 | 179.8 | 0 | 0 | 112.2 | D271 E272 L277 P279 | D271-E275 WeakPolarHBondContact O-CG 3.41Å; D271-E275 PolarHBondContact O-N 2.88Å; E272-E275 PolarHBondContact O-N 3.24Å; E275-L277 VanDerWaalsContact C-N 3.29Å; E275-L277 PolarHBondContact O-N 3.24Å; E275-P279 VanDerWaalsContact O-CD 3.28Å; E275-P279 WeakPolarHBondContact O-CD 3.38Å |
| 276 | C | 86.2 | Confident | 72.9 | Confident | 9 Ų | 9 | 74.8 Ų | 74.8 | 6% | 0.061 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.8 | -29.3 | 176 | -69.9 | 0 | 0 | 0 | 0 | 113.7 | E272 I273 M274 F280 W623 | E272-C276 PolarHBondContact O-N 2.8Å; E272-C276 PolarHBondContact O-SG 2.79Å; I273-C276 WeakPolarHBondContact O-CB 3.24Å; I273-C276 PolarHBondContact O-N 3.47Å; M274-C276 VanDerWaalsContact C-N 3.25Å; M274-C276 PolarHBondContact O-N 2.96Å; C276-F280 WeakPolarHBondContact O-CD2 3.39Å; C276-F280 WeakPolarHBondContact O-CE2 3.37Å; C276-W623 HydrophobicContact CB-CH2 3.48Å; C276-W623 VanDerWaalsContact CB-CH2 3.48Å; C276-W623 HydrophobicContact CB-CZ2 3.51Å; C276-W623 WeakPolarHBondContact O-CH2 2.98Å; C276-W623 WeakPolarHBondContact SG-CZ2 3.36Å |
| 277 | L | 87.3 | Confident | 71.7 | Confident | 1 Ų | 1 | 78.9 Ų | 78.9 | 1% | 0.005 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -91.9 | -22.6 | -176.6 | -70.5 | 170.5 | 0 | 0 | 0 | 113.2 | L224 V228 V236 L240 P256 L257 A260 I273 M274 E275 F280 | L224-L277 HydrophobicContact CD1-CD2 4.36Å; L224-L277 HydrophobicContact CD2-CD2 4.01Å; L224-L277 HydrophobicContact CG-CD2 4.39Å; V228-L277 HydrophobicContact CG2-CD1 3.89Å; V236-L277 HydrophobicContact CG1-CD2 4.34Å; V236-L277 HydrophobicContact CG1-CG 4.48Å; L240-L277 HydrophobicContact CD1-CD2 4.16Å; L240-L277 HydrophobicContact CD2-CD2 4.34Å; P256-L277 HydrophobicContact CB-CD1 4.28Å; P256-L277 HydrophobicContact CB-CD2 4.38Å; L257-L277 HydrophobicContact CB-CB 4.38Å; L257-L277 HydrophobicContact CD1-CB 4.03Å; A260-L277 HydrophobicContact CB-CD1 4.27Å; I273-L277 HydrophobicContact CG2-CD1 3.96Å; I273-L277 WeakPolarHBondContact O-CG 3.47Å; I273-L277 PolarHBondContact O-N 2.99Å; I273-L277 VanDerWaalsContact O-N 3.15Å; M274-L277 PolarHBondContact O-N 2.77Å; E275-L277 VanDerWaalsContact C-N 3.29Å; E275-L277 PolarHBondContact O-N 3.24Å; L277-F280 PolarHBondContact O-N 2.63Å |
| 278 | L | 84.2 | Confident | 69.9 | Low | 64 Ų | 64 | 77.1 Ų | 77.1 | 34% | 0.335 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -56.2 | -49.6 | -175.3 | -82.6 | 172.6 | 0 | 0 | 0 | 113.3 | L257 M274 F280 S281 F284 | L257-L278 HydrophobicContact CD1-CD2 4.36Å; L257-L278 HydrophobicContact CD2-CD2 4.14Å; M274-L278 WeakPolarHBondContact O-CG 3.48Å; M274-L278 PolarHBondContact O-N 3.2Å; L278-F280 PolarHBondContact O-N 2.58Å; L278-F280 VanDerWaalsContact O-N 3.12Å; L278-S281 VanDerWaalsContact O-CB 3.3Å; L278-S281 WeakPolarHBondContact O-CB 3.37Å; L278-S281 PolarHBondContact O-N 2.69Å; L278-F284 WeakPolarHBondContact O-CB 3.49Å |
| 279 | P | 76.1 | Confident | 68.2 | Low | 28 Ų | 28 | 73.7 Ų | 73.7 | 18% | 0.182 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -34.2 | -178.5 | -26.5 | 35.4 | 0 | 0 | 0 | 113.3 | E275 S281 | E275-P279 VanDerWaalsContact O-CD 3.28Å; E275-P279 WeakPolarHBondContact O-CD 3.38Å; P279-S281 VanDerWaalsContact C-N 3.32Å; P279-S281 PolarHBondContact O-N 2.85Å |
| 280 | F | 75.2 | Confident | 66.1 | Low | 53 Ų | 53 | 74.6 Ų | 74.6 | 23% | 0.232 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 9.8 | -177.3 | -48.5 | -83.8 | 0 | 0 | 0 | 114.1 | L240 S246 C276 L277 L278 E346 W623 M626 | L240-F280 HydrophobicContact CD1-CD2 4.45Å; L240-F280 HydrophobicContact CD1-CE2 4.24Å; L240-F280 HydrophobicContact CD2-CD2 4.19Å; L240-F280 HydrophobicContact CD2-CE2 4.42Å; S246-F280 WeakPolarHBondContact OG-CB 3.33Å; S246-F280 PolarHBondContact OG-O 3.3Å; C276-F280 WeakPolarHBondContact O-CD2 3.39Å; C276-F280 WeakPolarHBondContact O-CE2 3.37Å; L277-F280 PolarHBondContact O-N 2.63Å; L278-F280 PolarHBondContact O-N 2.58Å; L278-F280 VanDerWaalsContact O-N 3.12Å; F280-E346 HydrophobicContact CE1-CG 4.45Å; F280-W623 HydrophobicContact CE2-CH2 4.22Å; F280-M626 HydrophobicContact CE1-SD 4.23Å; F280-M626 HydrophobicContact CE2-CE 4.14Å; F280-M626 HydrophobicContact CZ-CE 3.61Å; F280-M626 HydrophobicContact CZ-CG 4.42Å; F280-M626 HydrophobicContact CZ-SD 3.64Å |
| 281 | S | 69.7 | Low | 63.5 | Low | 23 Ų | 23 | 81.3 Ų | 81.3 | 16% | 0.161 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -96.6 | 143.8 | -177.6 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | L257 L278 P279 M283 F284 | L257-S281 VanDerWaalsContact CD2-OG 3.32Å; L257-S281 WeakPolarHBondContact CD2-OG 3.33Å; L278-S281 VanDerWaalsContact O-CB 3.3Å; L278-S281 WeakPolarHBondContact O-CB 3.37Å; L278-S281 PolarHBondContact O-N 2.69Å; P279-S281 VanDerWaalsContact C-N 3.32Å; P279-S281 PolarHBondContact O-N 2.85Å; S281-M283 PolarHBondContact O-N 2.9Å; S281-M283 VanDerWaalsContact O-N 3.13Å; S281-M283 PolarHBondContact OG-N 3.46Å; S281-F284 WeakPolarHBondContact O-CB 3.21Å; S281-F284 PolarHBondContact O-N 2.66Å |
| 282 | E | 62.6 | Low | 60.9 | Low | 139 Ų | 139 | 81.7 Ų | 81.7 | 65% | 0.65 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -55.3 | -29 | 169 | -65.7 | 176.7 | 167.7 | 0 | 0 | 112.2 | R249 F284 C285 | R249-E282 IonicContact NH2-OE2 2.67Å; E282-F284 PolarHBondContact O-N 3.5Å; E282-C285 VanDerWaalsContact O-CB 3.32Å; E282-C285 WeakPolarHBondContact O-CB 3.25Å; E282-C285 PolarHBondContact O-N 3.25Å |
| 283 | M | 53.2 | Low | 58.2 | Low | 145 Ų | 145 | 86.9 Ų | 86.9 | 71% | 0.714 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -65.6 | -23.5 | 175.1 | -84 | 180 | 67.8 | 0 | 0 | 113.3 | S281 C285 | S281-M283 PolarHBondContact O-N 2.9Å; S281-M283 VanDerWaalsContact O-N 3.13Å; S281-M283 PolarHBondContact OG-N 3.46Å; M283-C285 PolarHBondContact O-N 2.93Å |
| 284 | F | 47.1 | Very low | 55.5 | Low | 109 Ų | 109 | 94.2 Ų | 94.2 | 48% | 0.478 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -89.4 | 16.2 | 177.3 | -158.7 | -94 | 0 | 0 | 0 | 112 | L278 S281 E282 S286 | L278-F284 WeakPolarHBondContact O-CB 3.49Å; S281-F284 WeakPolarHBondContact O-CB 3.21Å; S281-F284 PolarHBondContact O-N 2.66Å; E282-F284 PolarHBondContact O-N 3.5Å; F284-S286 PolarHBondContact O-N 3.41Å |
| 285 | C | 41 | Very low | 53.3 | Low | 113 Ų | 113 | 99.8 Ų | 99.8 | 76% | 0.764 | 56% | 0.559 | S | S | * | * | trans | -63.1 | 85 | 163 | -155.9 | 0 | 0 | 0 | 0 | 108 | E282 M283 T287 | E282-C285 VanDerWaalsContact O-CB 3.32Å; E282-C285 WeakPolarHBondContact O-CB 3.25Å; E282-C285 PolarHBondContact O-N 3.25Å; M283-C285 PolarHBondContact O-N 2.93Å; C285-T287 PolarHBondContact O-N 2.93Å; C285-T287 VanDerWaalsContact O-N 3.09Å | ||
| 286 | S | 43.7 | Very low | 51.1 | Low | 84 Ų | 84 | 98.8 Ų | 98.8 | 59% | 0.587 | 55% | 0.551 | S | S | * | * | trans | -62.7 | 115.2 | -170.9 | 52.5 | 0 | 0 | 0 | 0 | 109.9 | F284 E288 | F284-S286 PolarHBondContact O-N 3.41Å; S286-E288 PolarHBondContact O-N 2.96Å | ||
| 287 | T | 34.9 | Very low | 49 | Very low | 141 Ų | 141 | 100.9 Ų | 100.9 | 87% | 0.865 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -57.2 | 76.8 | 147.3 | 47.2 | 0 | 0 | 0 | 0 | 109.1 | C285 | C285-T287 PolarHBondContact O-N 2.93Å; C285-T287 VanDerWaalsContact O-N 3.09Å |
| 288 | E | 33 | Very low | 47.1 | Very low | 172 Ų | 172 | 108.4 Ų | 108.4 | 80% | 0.804 | 61% | 0.614 | S | S | * | * | trans | -159.5 | 42.7 | 165 | -114.5 | 174.6 | -143.1 | 0 | 0 | 111.4 | S286 A290 | S286-E288 PolarHBondContact O-N 2.96Å; E288-A290 PolarHBondContact O-N 2.81Å | ||
| 289 | G | 32.9 | Very low | 45.4 | Very low | 73 Ų | 73 | 113.1 Ų | 113.1 | 75% | 0.753 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -78.5 | 6.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 290 | A | 33.4 | Very low | 44.7 | Very low | 90 Ų | 90 | 116.9 Ų | 116.9 | 74% | 0.744 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -89.5 | -1.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | E288 | E288-A290 PolarHBondContact O-N 2.81Š|
| 291 | N | 29.3 | Very low | 45 | Very low | 143 Ų | 143 | 117.8 Ų | 117.8 | 77% | 0.765 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -121.6 | 27 | 177.3 | -80.8 | -27.6 | 0 | 0 | 0 | 114.6 | H293 | N291-H293 PolarHBondContact O-N 3.3Š|
| 292 | A | 34.3 | Very low | 45.7 | Very low | 86 Ų | 86 | 122.2 Ų | 122.2 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 15.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 293 | H | 31.6 | Very low | 46.9 | Very low | 182 Ų | 182 | 117.1 Ų | 117.1 | 84% | 0.843 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.9 | 27.8 | 178.5 | -72.2 | -40.4 | 0 | 0 | 0 | 115 | N291 | N291-H293 PolarHBondContact O-N 3.3Š|
| 294 | K | 32.8 | Very low | 48.4 | Very low | 156 Ų | 156 | 113.3 Ų | 113.3 | 68% | 0.678 | 65% | 0.645 | S | S | * | * | trans | -106.9 | 89.3 | 154 | -83.1 | -172.2 | 174.7 | -173.1 | 0 | 109.4 | Y296 | K294-Y296 PolarHBondContact O-N 3.46Š| ||
| 295 | L | 44.2 | Very low | 50.3 | Low | 152 Ų | 152 | 113.1 Ų | 113.1 | 80% | 0.796 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -62.1 | -4.7 | 168.4 | -98.4 | 147.9 | 0 | 0 | 0 | 113.4 | ||
| 296 | Y | 40.7 | Very low | 52.6 | Low | 111 Ų | 111 | 110.6 Ų | 110.6 | 44% | 0.435 | 62% | 0.622 | S | S | . | * | trans | -140 | 112.8 | 179.8 | -63.5 | -78 | 0 | 0 | 0 | 109.3 | K294 I300 F305 | K294-Y296 PolarHBondContact O-N 3.46Å; Y296-I300 HydrophobicContact CD1-CD1 3.75Å; Y296-I300 HydrophobicContact CD1-CG1 3.86Å; Y296-I300 HydrophobicContact CD1-CG2 4.12Å; Y296-I300 HydrophobicContact CE1-CD1 4.45Å; Y296-I300 HydrophobicContact CE1-CG2 4.31Å; Y296-I300 HydrophobicContact CG-CD1 4.19Å; Y296-I300 HydrophobicContact CG-CG1 4.45Å; Y296-F305 HydrophobicContact CE1-CD2 4.39Å | ||
| 297 | G | 41.2 | Very low | 54.9 | Low | 53 Ų | 53 | 107.9 Ų | 107.9 | 55% | 0.546 | 60% | 0.599 | S | S | . | * | trans | -71.8 | 159.2 | 158.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | N299 | G297-N299 CarbonylContact O-C 3.5Å; G297-N299 PolarHBondContact O-N 2.91Å | ||
| 298 | D | 46.9 | Very low | 57.5 | Low | 160 Ų | 160 | 103.1 Ų | 103.1 | 86% | 0.856 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -62.5 | -6.8 | -172.3 | -64.6 | -41.4 | 0 | 0 | 0 | 114.8 | ||
| 299 | N | 48.5 | Very low | 60.2 | Low | 162 Ų | 162 | 98 Ų | 98 | 87% | 0.866 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -115 | 91.3 | 167.8 | -77.1 | -34.1 | 0 | 0 | 0 | 109.6 | G297 D301 | G297-N299 CarbonylContact O-C 3.5Å; G297-N299 PolarHBondContact O-N 2.91Å; N299-D301 PolarHBondContact O-N 2.97Å; N299-D301 VanDerWaalsContact O-N 3.16Å |
| 300 | I | 62.5 | Low | 63 | Low | 108 Ų | 108 | 94.8 Ų | 94.8 | 55% | 0.554 | 52% | 0.521 | S | S | * | . | trans | -73.3 | 106.1 | 176.2 | -56.3 | 178.6 | 0 | 0 | 0 | 108.5 | Y296 I302 F305 | Y296-I300 HydrophobicContact CD1-CD1 3.75Å; Y296-I300 HydrophobicContact CD1-CG1 3.86Å; Y296-I300 HydrophobicContact CD1-CG2 4.12Å; Y296-I300 HydrophobicContact CE1-CD1 4.45Å; Y296-I300 HydrophobicContact CE1-CG2 4.31Å; Y296-I300 HydrophobicContact CG-CD1 4.19Å; Y296-I300 HydrophobicContact CG-CG1 4.45Å; I300-I302 PolarHBondContact O-N 3.17Å; I300-F305 HydrophobicContact CG2-CB 4.37Å | ||
| 301 | D | 81.8 | Confident | 65.7 | Low | 72 Ų | 72 | 91.1 Ų | 91.1 | 39% | 0.385 | 49% | 0.489 | S | S | . | . | trans | -66.8 | 123.2 | 165.7 | -172.1 | -25.4 | 0 | 0 | 0 | 108.3 | N299 N303 D304 F305 | N299-D301 PolarHBondContact O-N 2.97Å; N299-D301 VanDerWaalsContact O-N 3.16Å; D301-N303 PolarHBondContact O-N 2.82Å; D301-N303 VanDerWaalsContact O-N 3.15Å; D301-N303 VanDerWaalsContact OD1-CB 3.31Å; D301-N303 WeakPolarHBondContact OD1-CB 2.87Å; D301-N303 PolarHBondContact OD1-N 2.98Å; D301-N303 PolarHBondContact OD1-ND2 2.85Å; D301-D304 HydrophobicContact CB-CB 4.27Å; D301-D304 PolarHBondContact O-N 3.14Å; D301-F305 PolarHBondContact O-N 3.31Å | ||
| 302 | I | 85 | Confident | 68.6 | Low | 115 Ų | 115 | 88.2 Ų | 88.2 | 59% | 0.59 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -55.3 | -32.1 | 178 | -168.7 | 169 | 0 | 0 | 0 | 112.1 | I300 F305 I306 | I300-I302 PolarHBondContact O-N 3.17Å; I302-F305 PolarHBondContact O-N 2.66Å; I302-I306 HydrophobicContact CG1-CD1 4.08Å; I302-I306 VanDerWaalsContact O-CG1 3.28Å; I302-I306 WeakPolarHBondContact O-CG1 3.4Å; I302-I306 PolarHBondContact O-N 2.88Å |
| 303 | N | 86.6 | Confident | 71.2 | Confident | 33 Ų | 33 | 86 Ų | 86 | 18% | 0.176 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -69.7 | -37.6 | 179.1 | -63.9 | -61.7 | 0 | 0 | 0 | 111.9 | D301 F305 I306 R307 R587 | D301-N303 PolarHBondContact O-N 2.82Å; D301-N303 VanDerWaalsContact O-N 3.15Å; D301-N303 VanDerWaalsContact OD1-CB 3.31Å; D301-N303 WeakPolarHBondContact OD1-CB 2.87Å; D301-N303 PolarHBondContact OD1-N 2.98Å; D301-N303 PolarHBondContact OD1-ND2 2.85Å; N303-F305 VanDerWaalsContact C-N 3.33Å; N303-I306 PolarHBondContact O-N 3.13Å; N303-R307 VanDerWaalsContact O-CB 3.28Å; N303-R307 WeakPolarHBondContact O-CB 3.38Å; N303-R307 PolarHBondContact O-N 3.46Å; N303-R587 WeakPolarHBondContact OD1-CD 3.3Å |
| 304 | D | 85.2 | Confident | 73.9 | Confident | 65 Ų | 65 | 77.9 Ų | 77.9 | 35% | 0.348 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -68.2 | -37.4 | 177.3 | -68.9 | -23.5 | 0 | 0 | 0 | 110.8 | D301 R307 S308 | D301-D304 HydrophobicContact CB-CB 4.27Å; D301-D304 PolarHBondContact O-N 3.14Å; D304-R307 VanDerWaalsContact CG-NH2 3.34Å; D304-R307 IonicContact OD1-CZ 2.62Å; D304-R307 IonicContact OD1-NH1 2.74Å; D304-R307 PolarHBondContact OD1-NH1 3.15Å; D304-R307 VanDerWaalsContact OD1-NH1 3.13Å; D304-R307 IonicContact OD1-NH2 3.52Å; D304-R307 PolarHBondContact OD1-NH2 2.94Å; D304-S308 WeakPolarHBondContact O-CB 3.48Å; D304-S308 PolarHBondContact O-N 2.76Å; D304-S308 PolarHBondContact O-OG 3.38Å |
| 305 | F | 87.4 | Confident | 76.5 | Confident | 104 Ų | 104 | 72.1 Ų | 72.1 | 46% | 0.456 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.8 | -50.5 | 172.1 | 176.2 | -96.4 | 0 | 0 | 0 | 112.3 | Y296 I300 D301 I302 N303 R307 S308 S309 | Y296-F305 HydrophobicContact CE1-CD2 4.39Å; I300-F305 HydrophobicContact CG2-CB 4.37Å; D301-F305 PolarHBondContact O-N 3.31Å; I302-F305 PolarHBondContact O-N 2.66Å; N303-F305 VanDerWaalsContact C-N 3.33Å; F305-R307 VanDerWaalsContact C-N 3.3Å; F305-R307 PolarHBondContact O-N 3.23Å; F305-S308 PolarHBondContact O-N 3.44Å; F305-S309 WeakPolarHBondContact O-CB 3.43Å; F305-S309 PolarHBondContact O-N 3.24Å |
| 306 | I | 89.6 | Confident | 78.5 | Confident | 61 Ų | 61 | 68.7 Ų | 68.7 | 31% | 0.313 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.9 | -44.2 | 178.6 | -70.6 | 167.2 | 0 | 0 | 0 | 110.6 | I302 N303 S309 S310 A591 | I302-I306 HydrophobicContact CG1-CD1 4.08Å; I302-I306 VanDerWaalsContact O-CG1 3.28Å; I302-I306 WeakPolarHBondContact O-CG1 3.4Å; I302-I306 PolarHBondContact O-N 2.88Å; N303-I306 PolarHBondContact O-N 3.13Å; I306-S309 PolarHBondContact O-N 2.88Å; I306-S310 WeakPolarHBondContact O-CB 3.11Å; I306-S310 PolarHBondContact O-N 3.16Å; I306-S310 PolarHBondContact O-OG 3.14Å; I306-A591 HydrophobicContact CG2-CB 3.57Å |
| 307 | R | 90.2 | Very high | 80.7 | Confident | 27 Ų | 27 | 66.5 Ų | 66.5 | 10% | 0.102 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.7 | -51.6 | 177 | -174.5 | 179.5 | 65 | -139.7 | -14.7 | 110.6 | N303 D304 F305 S309 S310 I311 Y597 D635 | N303-R307 VanDerWaalsContact O-CB 3.28Å; N303-R307 WeakPolarHBondContact O-CB 3.38Å; N303-R307 PolarHBondContact O-N 3.46Å; D304-R307 VanDerWaalsContact CG-NH2 3.34Å; D304-R307 IonicContact OD1-CZ 2.62Å; D304-R307 IonicContact OD1-NH1 2.74Å; D304-R307 PolarHBondContact OD1-NH1 3.15Å; D304-R307 VanDerWaalsContact OD1-NH1 3.13Å; D304-R307 IonicContact OD1-NH2 3.52Å; D304-R307 PolarHBondContact OD1-NH2 2.94Å; F305-R307 VanDerWaalsContact C-N 3.3Å; F305-R307 PolarHBondContact O-N 3.23Å; R307-S309 VanDerWaalsContact C-N 3.31Å; R307-S309 PolarHBondContact O-N 2.52Å; R307-S310 WeakPolarHBondContact O-CB 3.39Å; R307-S310 PolarHBondContact O-N 3.32Å; R307-S310 VanDerWaalsContact O-N 3.07Å; R307-I311 HydrophobicContact CG-CD1 4.02Å; R307-I311 HydrophobicContact CG-CG1 4.45Å; R307-I311 VanDerWaalsContact O-CG1 3.27Å; R307-I311 WeakPolarHBondContact O-CG1 3.43Å; R307-I311 PolarHBondContact O-N 3.32Å; R307-Y597 WeakPolarHBondContact CD-O 3.48Å; R307-D635 IonicContact CZ-OD1 2.72Å; R307-D635 IonicContact CZ-OD2 3.65Å; R307-D635 IonicContact NE-OD1 2.9Å; R307-D635 IonicContact NH1-OD1 3.13Å; R307-D635 PolarHBondContact NH1-OD1 3.45Å; R307-D635 IonicContact NH1-OD2 3.33Å; R307-D635 PolarHBondContact NH1-OD2 2.92Å; R307-D635 IonicContact NH2-OD1 2.69Å; R307-D635 PolarHBondContact NH2-OD1 3.26Å; R307-D635 IonicContact NH2-OD2 3.12Å |
| 308 | S | 89.6 | Confident | 82.6 | Confident | 40 Ų | 40 | 66.9 Ų | 66.9 | 28% | 0.28 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.4 | -39.8 | -179.5 | -59.7 | 0 | 0 | 0 | 0 | 112.9 | D304 F305 I311 T312 | D304-S308 WeakPolarHBondContact O-CB 3.48Å; D304-S308 PolarHBondContact O-N 2.76Å; D304-S308 PolarHBondContact O-OG 3.38Å; F305-S308 PolarHBondContact O-N 3.44Å; S308-I311 PolarHBondContact O-N 3.21Å; S308-T312 PolarHBondContact O-N 2.77Å; S308-T312 PolarHBondContact O-OG1 3.38Å |
| 309 | S | 90.8 | Very high | 84.3 | Confident | 65 Ų | 65 | 67.4 Ų | 67.4 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.1 | -47 | 173.2 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | F305 I306 R307 I311 T312 S313 | F305-S309 WeakPolarHBondContact O-CB 3.43Å; F305-S309 PolarHBondContact O-N 3.24Å; I306-S309 PolarHBondContact O-N 2.88Å; R307-S309 VanDerWaalsContact C-N 3.31Å; R307-S309 PolarHBondContact O-N 2.52Å; S309-I311 VanDerWaalsContact C-N 3.34Å; S309-I311 PolarHBondContact O-N 3.46Å; S309-T312 PolarHBondContact O-N 3.22Å; S309-S313 WeakPolarHBondContact O-CB 3.3Å; S309-S313 PolarHBondContact O-N 3.1Å |
| 310 | S | 91.6 | Very high | 86 | Confident | 5 Ų | 5 | 65.8 Ų | 65.8 | 4% | 0.035 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 177.5 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | I306 R307 S313 H314 | I306-S310 WeakPolarHBondContact O-CB 3.11Å; I306-S310 PolarHBondContact O-N 3.16Å; I306-S310 PolarHBondContact O-OG 3.14Å; R307-S310 WeakPolarHBondContact O-CB 3.39Å; R307-S310 PolarHBondContact O-N 3.32Å; R307-S310 VanDerWaalsContact O-N 3.07Å; S310-S313 PolarHBondContact O-N 3.28Å; S310-H314 WeakPolarHBondContact O-CB 3.32Å; S310-H314 PolarHBondContact O-N 3.38Å |
| 311 | I | 90.1 | Very high | 86.8 | Confident | 14 Ų | 14 | 66.8 Ų | 66.8 | 7% | 0.072 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.3 | -51.8 | 176.5 | -68.3 | 177.4 | 0 | 0 | 0 | 110.5 | R307 S308 S309 S313 H314 L315 P596 F598 L642 | R307-I311 HydrophobicContact CG-CD1 4.02Å; R307-I311 HydrophobicContact CG-CG1 4.45Å; R307-I311 VanDerWaalsContact O-CG1 3.27Å; R307-I311 WeakPolarHBondContact O-CG1 3.43Å; R307-I311 PolarHBondContact O-N 3.32Å; S308-I311 PolarHBondContact O-N 3.21Å; S309-I311 VanDerWaalsContact C-N 3.34Å; S309-I311 PolarHBondContact O-N 3.46Å; I311-S313 VanDerWaalsContact C-N 3.32Å; I311-S313 PolarHBondContact O-N 3.36Å; I311-H314 PolarHBondContact O-N 3.35Å; I311-L315 HydrophobicContact CG2-CD1 3.74Å; I311-L315 HydrophobicContact CG2-CG 4.38Å; I311-L315 VanDerWaalsContact O-CG 3.23Å; I311-L315 WeakPolarHBondContact O-CG 3.17Å; I311-L315 PolarHBondContact O-N 2.81Å; I311-P596 HydrophobicContact CB-CG 4.48Å; I311-P596 HydrophobicContact CG1-CB 3.76Å; I311-P596 HydrophobicContact CG1-CG 3.78Å; I311-F598 HydrophobicContact CD1-CE1 4.39Å; I311-F598 HydrophobicContact CD1-CZ 3.8Å; I311-L642 HydrophobicContact CD1-CD1 4.37Å; I311-L642 HydrophobicContact CG1-CD1 4.08Å; I311-L642 HydrophobicContact CG2-CD2 4.18Å; I311-L642 HydrophobicContact CG2-CG 4.44Å |
| 312 | T | 90.3 | Very high | 86.5 | Confident | 81 Ų | 81 | 73.6 Ų | 73.6 | 50% | 0.497 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.8 | -46.9 | -179.5 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | S308 S309 L315 N316 | S308-T312 PolarHBondContact O-N 2.77Å; S308-T312 PolarHBondContact O-OG1 3.38Å; S309-T312 PolarHBondContact O-N 3.22Å; T312-L315 PolarHBondContact O-N 3.25Å; T312-N316 VanDerWaalsContact O-CG 3.29Å; T312-N316 PolarHBondContact O-N 3.44Å; T312-N316 VanDerWaalsContact O-N 3.13Å; T312-N316 PolarHBondContact O-ND2 2.93Å |
| 313 | S | 89 | Confident | 86.1 | Confident | 41 Ų | 41 | 72.6 Ų | 72.6 | 29% | 0.287 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 177.2 | -172.9 | 0 | 0 | 0 | 0 | 111.9 | S309 S310 I311 L315 N316 L317 N594 | S309-S313 WeakPolarHBondContact O-CB 3.3Å; S309-S313 PolarHBondContact O-N 3.1Å; S310-S313 PolarHBondContact O-N 3.28Å; I311-S313 VanDerWaalsContact C-N 3.32Å; I311-S313 PolarHBondContact O-N 3.36Å; S313-L315 PolarHBondContact O-N 3.04Å; S313-N316 PolarHBondContact O-N 3.35Å; S313-L317 WeakPolarHBondContact O-CG 3.34Å; S313-L317 PolarHBondContact O-N 2.99Å; S313-N594 WeakPolarHBondContact CB-ND2 3.33Å; S313-N594 WeakPolarHBondContact CB-OD1 3.35Å; S313-N594 PolarHBondContact OG-ND2 3.41Å; S313-N594 PolarHBondContact OG-OD1 3.1Å |
| 314 | H | 87.3 | Confident | 85.9 | Confident | 10 Ų | 10 | 74.6 Ų | 74.6 | 5% | 0.046 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 179.4 | -168.5 | 83.5 | 0 | 0 | 0 | 112.5 | S310 I311 N316 L317 R318 Y325 G528 P596 | S310-H314 WeakPolarHBondContact O-CB 3.32Å; S310-H314 PolarHBondContact O-N 3.38Å; I311-H314 PolarHBondContact O-N 3.35Å; H314-N316 VanDerWaalsContact C-N 3.31Å; H314-N316 PolarHBondContact O-N 3.39Å; H314-L317 PolarHBondContact O-N 2.77Å; H314-R318 WeakPolarHBondContact O-CB 3.46Å; H314-R318 PolarHBondContact O-N 3.37Å; H314-Y325 AromaticContact CE1-CD1 3.52Å; H314-Y325 AromaticContact CE1-CE1 3.29Å; H314-Y325 WeakPolarHBondContact CE1-CE1 3.28Å; H314-Y325 AromaticContact CE1-CZ 3.72Å; H314-Y325 AromaticContact NE2-CE1 3.94Å; H314-G528 PolarHBondContact CE1-O 2.79Å; H314-G528 VanDerWaalsContact CE1-O 3.29Å; H314-P596 HydrophobicContact CB-CG 4.18Å |
| 315 | L | 87.1 | Confident | 86.1 | Confident | 35 Ų | 35 | 73.3 Ų | 73.3 | 18% | 0.183 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.4 | -37.7 | 177.6 | -66.3 | 166.2 | 0 | 0 | 0 | 112.3 | I311 T312 S313 K319 L641 L642 | I311-L315 HydrophobicContact CG2-CD1 3.74Å; I311-L315 HydrophobicContact CG2-CG 4.38Å; I311-L315 VanDerWaalsContact O-CG 3.23Å; I311-L315 WeakPolarHBondContact O-CG 3.17Å; I311-L315 PolarHBondContact O-N 2.81Å; T312-L315 PolarHBondContact O-N 3.25Å; S313-L315 PolarHBondContact O-N 3.04Å; L315-K319 WeakPolarHBondContact O-CG 3.42Å; L315-K319 PolarHBondContact O-N 3.01Å; L315-K319 VanDerWaalsContact O-N 3.17Å; L315-L641 HydrophobicContact CD1-CD2 3.27Å; L315-L641 HydrophobicContact CD2-CD2 3.37Å; L315-L641 HydrophobicContact CG-CD2 3.93Å; L315-L642 HydrophobicContact CD2-CD2 4.14Å; L315-L642 HydrophobicContact CG-CD2 4.3Å |
| 316 | N | 87.9 | Confident | 86.3 | Confident | 81 Ų | 81 | 68.3 Ų | 68.3 | 43% | 0.433 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.3 | -44.2 | 175.6 | -72.5 | -25.1 | 0 | 0 | 0 | 111.5 | T312 S313 H314 R318 K319 L320 | T312-N316 VanDerWaalsContact O-CG 3.29Å; T312-N316 PolarHBondContact O-N 3.44Å; T312-N316 VanDerWaalsContact O-N 3.13Å; T312-N316 PolarHBondContact O-ND2 2.93Å; S313-N316 PolarHBondContact O-N 3.35Å; H314-N316 VanDerWaalsContact C-N 3.31Å; H314-N316 PolarHBondContact O-N 3.39Å; N316-R318 PolarHBondContact O-N 2.94Å; N316-K319 PolarHBondContact O-N 3.42Å; N316-L320 WeakPolarHBondContact O-CG 3.4Å; N316-L320 PolarHBondContact O-N 2.68Å |
| 317 | L | 85.7 | Confident | 86.5 | Confident | 65 Ų | 65 | 66.4 Ų | 66.4 | 34% | 0.34 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 176.6 | -72 | 173.4 | 0 | 0 | 0 | 112.4 | S313 H314 K319 L320 Y321 | S313-L317 WeakPolarHBondContact O-CG 3.34Å; S313-L317 PolarHBondContact O-N 2.99Å; H314-L317 PolarHBondContact O-N 2.77Å; L317-K319 VanDerWaalsContact C-N 3.32Å; L317-K319 PolarHBondContact O-N 3.18Å; L317-L320 PolarHBondContact O-N 3.47Å; L317-Y321 HydrophobicContact CD2-CD2 4.32Å; L317-Y321 HydrophobicContact CD2-CE2 4.26Å; L317-Y321 PolarHBondContact O-N 3.29Å |
| 318 | R | 81.4 | Confident | 86.8 | Confident | 60 Ų | 60 | 65.1 Ų | 65.1 | 23% | 0.226 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.9 | -33.2 | 177.4 | -173.2 | 174.7 | 176.7 | 176.3 | 0.7 | 113 | H314 N316 Y325 L642 D645 | H314-R318 WeakPolarHBondContact O-CB 3.46Å; H314-R318 PolarHBondContact O-N 3.37Å; N316-R318 PolarHBondContact O-N 2.94Å; R318-Y325 HydrophobicContact CB-CE2 4.17Å; R318-Y325 HydrophobicContact CG-CE2 4.1Å; R318-L642 PolarHBondContact NH1-O 2.95Å; R318-D645 IonicContact CZ-OD1 3.18Å; R318-D645 IonicContact NE-OD1 3.13Å; R318-D645 VanDerWaalsContact NH2-CG 3.29Å; R318-D645 IonicContact NH2-OD1 2.7Å; R318-D645 PolarHBondContact NH2-OD1 3.3Å |
| 319 | K | 82.2 | Confident | 87.2 | Confident | 172 Ų | 172 | 63.2 Ų | 63.2 | 75% | 0.748 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -67.3 | -38.9 | 172.2 | -73.2 | 173.1 | -176.6 | 175 | 0 | 112.1 | L315 N316 L317 | L315-K319 WeakPolarHBondContact O-CG 3.42Å; L315-K319 PolarHBondContact O-N 3.01Å; L315-K319 VanDerWaalsContact O-N 3.17Å; N316-K319 PolarHBondContact O-N 3.42Å; L317-K319 VanDerWaalsContact C-N 3.32Å; L317-K319 PolarHBondContact O-N 3.18Å |
| 320 | L | 84.6 | Confident | 87.4 | Confident | 127 Ų | 127 | 60.1 Ų | 60.1 | 67% | 0.665 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -78.5 | -37.1 | -177.2 | -68.4 | 170.9 | 0 | 0 | 0 | 112.6 | N316 L317 | N316-L320 WeakPolarHBondContact O-CG 3.4Å; N316-L320 PolarHBondContact O-N 2.68Å; L317-L320 PolarHBondContact O-N 3.47Å |
| 321 | Y | 78.5 | Confident | 87.6 | Confident | 130 Ų | 130 | 59.9 Ų | 59.9 | 51% | 0.51 | 29% | 0.29 | S | S | . | . | trans | -130.8 | 125.3 | -173.1 | -55 | -76.9 | 0 | 0 | 0 | 111.5 | L317 K323 | L317-Y321 HydrophobicContact CD2-CD2 4.32Å; L317-Y321 HydrophobicContact CD2-CE2 4.26Å; L317-Y321 PolarHBondContact O-N 3.29Å; Y321-K323 PolarHBondContact O-N 3.07Å | ||
| 322 | K | 76.4 | Confident | 87.9 | Confident | 215 Ų | 215 | 59.2 Ų | 59.2 | 94% | 0.935 | 29% | 0.287 | S | S | * | . | trans | -80 | 63.6 | 170.2 | -68.3 | -171.5 | 177.3 | -174.8 | 0 | 111 | ||||
| 323 | K | 76.1 | Confident | 87.9 | Confident | 93 Ų | 93 | 55.4 Ų | 55.4 | 40% | 0.404 | 26% | 0.264 | S | S | . | . | trans | -86 | 145.9 | 174.8 | -71.2 | -177.3 | 179.5 | -175.7 | 0 | 111 | Y321 Y325 E526 | Y321-K323 PolarHBondContact O-N 3.07Å; K323-Y325 WeakPolarHBondContact O-CD2 2.84Å; K323-E526 WeakPolarHBondContact CD-OE2 3.5Å; K323-E526 IonicContact NZ-OE1 2.81Å; K323-E526 PolarHBondContact NZ-OE1 3.13Å; K323-E526 IonicContact NZ-OE2 3.41Å; K323-E526 PolarHBondContact NZ-OE2 2.97Å | ||
| 324 | P | 83.6 | Confident | 87.8 | Confident | 76 Ų | 76 | 53.7 Ų | 53.7 | 49% | 0.494 | 25% | 0.252 | S | S | . | . | trans | -69.3 | 132.9 | 168.7 | 29.9 | -35 | 0 | 0 | 0 | 110.4 | I524 A525 E526 | P324-I524 WeakPolarHBondContact CG-O 3.49Å; P324-A525 HydrophobicContact CB-CB 4.3Å; P324-A525 WeakPolarHBondContact O-CA 3.2Å; P324-E526 PolarHBondContact O-N 3.25Å; P324-E526 VanDerWaalsContact O-N 3.11Å | ||
| 325 | Y | 88.5 | Confident | 87.8 | Confident | 37 Ų | 37 | 53.8 Ų | 53.8 | 15% | 0.145 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 143.2 | 176.1 | -70.5 | -72.7 | 0 | 0 | 0 | 111.2 | H314 R318 K323 N366 E526 | H314-Y325 AromaticContact CE1-CD1 3.52Å; H314-Y325 AromaticContact CE1-CE1 3.29Å; H314-Y325 WeakPolarHBondContact CE1-CE1 3.28Å; H314-Y325 AromaticContact CE1-CZ 3.72Å; H314-Y325 AromaticContact NE2-CE1 3.94Å; R318-Y325 HydrophobicContact CB-CE2 4.17Å; R318-Y325 HydrophobicContact CG-CE2 4.1Å; K323-Y325 WeakPolarHBondContact O-CD2 2.84Å; Y325-N366 PolarHBondContact O-OD1 3.32Å; Y325-E526 CarbonylContact C-O 3.24Å; Y325-E526 VanDerWaalsContact CA-O 3.29Å; Y325-E526 WeakPolarHBondContact CA-O 3.34Å; Y325-E526 HydrophobicContact CD1-CB 4.13Å; Y325-E526 HydrophobicContact CE1-CB 4.16Å |
| 326 | A | 92 | Very high | 87.8 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 106.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | L328 V502 A525 E526 G528 | A326-L328 HydrophobicContact CB-CD1 4.07Å; A326-L328 WeakPolarHBondContact O-CD1 3.39Å; A326-V502 HydrophobicContact CB-CG1 4.31Å; A326-A525 HydrophobicContact CB-CB 3.82Å; A326-E526 PolarHBondContact N-O 3.48Å; A326-G528 PolarHBondContact O-N 3.18Å |
| 327 | N | 94.4 | Very high | 87.7 | Confident | 21 Ų | 21 | 49.5 Ų | 49.5 | 11% | 0.112 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 131.2 | 172.7 | -67.1 | -27.8 | 0 | 0 | 0 | 109.7 | S364 F365 N366 W367 G528 C529 L643 | N327-S364 WeakPolarHBondContact CB-O 3.39Å; N327-S364 PolarHBondContact ND2-O 2.81Å; N327-F365 HydrophobicContact CB-CD1 3.99Å; N327-F365 HydrophobicContact CB-CE1 4.49Å; N327-N366 PolarHBondContact N-OD1 3.08Å; N327-N366 VanDerWaalsContact N-OD1 3.13Å; N327-N366 PolarHBondContact O-N 3.04Å; N327-W367 PolarHBondContact O-N 2.85Å; N327-G528 WeakPolarHBondContact OD1-CA 3.31Å; N327-C529 PolarHBondContact OD1-N 3.28Å; N327-C529 VanDerWaalsContact OD1-N 3.14Å; N327-L643 HydrophobicContact CB-CD2 4.34Å |
| 328 | L | 96.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 139 | -171.7 | -81.4 | 61.2 | 0 | 0 | 0 | 110.4 | A326 F365 W367 L498 M499 V502 L527 C529 V530 V531 | A326-L328 HydrophobicContact CB-CD1 4.07Å; A326-L328 WeakPolarHBondContact O-CD1 3.39Å; L328-F365 WeakPolarHBondContact O-CE1 3.46Å; L328-W367 WeakPolarHBondContact CA-O 3.47Å; L328-W367 HydrophobicContact CD1-CB 3.86Å; L328-W367 HydrophobicContact CD1-CG 4.21Å; L328-W367 HydrophobicContact CG-CB 3.75Å; L328-W367 HydrophobicContact CG-CG 4.49Å; L328-L498 HydrophobicContact CB-CD2 3.8Å; L328-L498 HydrophobicContact CB-CG 4.39Å; L328-L498 HydrophobicContact CD2-CB 4.37Å; L328-L498 HydrophobicContact CD2-CD2 4.03Å; L328-L498 HydrophobicContact CD2-CG 3.71Å; L328-L498 HydrophobicContact CG-CD2 3.83Å; L328-L498 HydrophobicContact CG-CG 3.87Å; L328-M499 HydrophobicContact CD2-CG 3.88Å; L328-V502 HydrophobicContact CD1-CG2 3.94Å; L328-V502 HydrophobicContact CD2-CG2 3.99Å; L328-V502 HydrophobicContact CG-CG2 4.23Å; L328-L527 HydrophobicContact CD1-CD2 3.51Å; L328-L527 HydrophobicContact CD2-CD2 3.72Å; L328-L527 HydrophobicContact CG-CD2 4.27Å; L328-C529 PolarHBondContact N-O 3.08Å; L328-V530 HydrophobicContact CB-CG1 4.49Å; L328-V530 HydrophobicContact CB-CG2 4.25Å; L328-V530 HydrophobicContact CD2-CG2 4.2Å; L328-V531 PolarHBondContact O-N 3.37Å |
| 329 | I | 96.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 129.3 | 168.1 | -174.9 | 167.4 | 0 | 0 | 0 | 111 | F331 W361 F365 W367 M368 A369 V531 I533 | I329-F331 HydrophobicContact CD1-CE1 4.35Å; I329-F331 HydrophobicContact CD1-CE2 4.37Å; I329-F331 HydrophobicContact CD1-CZ 3.74Å; I329-F331 HydrophobicContact CG1-CE1 4.47Å; I329-F331 HydrophobicContact CG1-CE2 4.05Å; I329-F331 HydrophobicContact CG1-CZ 3.85Å; I329-F331 HydrophobicContact CG2-CE2 4.41Å; I329-W361 HydrophobicContact CD1-CH2 4Å; I329-W361 HydrophobicContact CD1-CZ3 3.75Å; I329-F365 HydrophobicContact CB-CD1 3.63Å; I329-F365 HydrophobicContact CB-CE1 3.81Å; I329-F365 HydrophobicContact CB-CG 4.08Å; I329-F365 HydrophobicContact CB-CZ 4.4Å; I329-F365 HydrophobicContact CD1-CE2 4.42Å; I329-F365 HydrophobicContact CD1-CZ 4.36Å; I329-F365 HydrophobicContact CG2-CB 3.85Å; I329-F365 HydrophobicContact CG2-CD1 3.76Å; I329-F365 HydrophobicContact CG2-CD2 4.37Å; I329-F365 HydrophobicContact CG2-CE1 4.39Å; I329-F365 HydrophobicContact CG2-CG 3.73Å; I329-W367 PolarHBondContact N-O 3.44Å; I329-M368 HydrophobicContact CG2-CB 4.33Å; I329-M368 HydrophobicContact CG2-CG 3.49Å; I329-M368 VanDerWaalsContact CG2-CG 3.49Å; I329-M368 HydrophobicContact CG2-SD 3.71Å; I329-M368 WeakPolarHBondContact O-CA 3.43Å; I329-A369 PolarHBondContact O-N 3.21Å; I329-A369 VanDerWaalsContact O-N 3.09Å; I329-V531 CarbonylContact C-O 3.51Å; I329-V531 VanDerWaalsContact CA-O 3.23Å; I329-V531 WeakPolarHBondContact CA-O 3.49Å; I329-V531 HydrophobicContact CB-CB 4.41Å; I329-V531 HydrophobicContact CD1-CG1 4.36Å; I329-V531 HydrophobicContact CG1-CB 4.25Å; I329-V531 HydrophobicContact CG1-CG1 4.26Å; I329-I533 HydrophobicContact CD1-CD1 3.81Å; I329-I533 HydrophobicContact CG1-CD1 4.25Å |
| 330 | S | 96.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 149 | -179.6 | 56.5 | 0 | 0 | 0 | 0 | 111.9 | A369 T495 V531 S532 I533 | S330-A369 CarbonylContact C-O 3.45Å; S330-A369 VanDerWaalsContact CA-O 3.31Å; S330-A369 WeakPolarHBondContact CA-O 2.9Å; S330-T495 PolarHBondContact OG-OG1 2.93Å; S330-V531 PolarHBondContact N-O 3.06Å; S330-V531 PolarHBondContact OG-O 3.48Å; S330-S532 WeakPolarHBondContact OG-CA 3.41Å; S330-I533 PolarHBondContact O-N 2.62Å |
| 331 | F | 95.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 122.8 | -178.6 | -59 | -83.9 | 0 | 0 | 0 | 111 | I329 M341 L350 A369 G370 T371 G374 I377 A378 L381 I533 | I329-F331 HydrophobicContact CD1-CE1 4.35Å; I329-F331 HydrophobicContact CD1-CE2 4.37Å; I329-F331 HydrophobicContact CD1-CZ 3.74Å; I329-F331 HydrophobicContact CG1-CE1 4.47Å; I329-F331 HydrophobicContact CG1-CE2 4.05Å; I329-F331 HydrophobicContact CG1-CZ 3.85Å; I329-F331 HydrophobicContact CG2-CE2 4.41Å; F331-M341 HydrophobicContact CB-SD 4.05Å; F331-M341 HydrophobicContact CD1-SD 4.18Å; F331-L350 HydrophobicContact CE1-CD1 3.87Å; F331-L350 HydrophobicContact CE1-CD2 3.81Å; F331-L350 HydrophobicContact CE1-CG 4.16Å; F331-L350 HydrophobicContact CZ-CD1 4.47Å; F331-L350 HydrophobicContact CZ-CD2 4.01Å; F331-A369 PolarHBondContact N-O 3.32Å; F331-G370 WeakPolarHBondContact O-CA 3.46Å; F331-T371 PolarHBondContact O-N 2.99Å; F331-G374 VanDerWaalsContact CB-CA 3.42Å; F331-I377 HydrophobicContact CD1-CG2 4.13Å; F331-I377 HydrophobicContact CE1-CG2 4.12Å; F331-A378 HydrophobicContact CD2-CB 3.8Å; F331-A378 HydrophobicContact CE2-CB 4.14Å; F331-L381 HydrophobicContact CE1-CD1 4.27Å; F331-L381 HydrophobicContact CE2-CD1 4.07Å; F331-L381 HydrophobicContact CZ-CD1 3.55Å; F331-I533 HydrophobicContact CD1-CB 4.09Å; F331-I533 HydrophobicContact CD1-CD1 4.36Å; F331-I533 HydrophobicContact CE1-CB 4.37Å; F331-I533 HydrophobicContact CE1-CD1 3.76Å; F331-I533 HydrophobicContact CE1-CG1 4.45Å; F331-I533 HydrophobicContact CZ-CD1 4.47Å |
| 332 | D | 94.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -70.7 | 156.9 | -179 | -65.2 | -9.8 | 0 | 0 | 0 | 112.8 | M341 G374 N492 N493 I533 G534 T578 R599 | D332-M341 WeakPolarHBondContact O-CE 3.24Å; D332-G374 WeakPolarHBondContact O-CA 3.41Å; D332-G374 PolarHBondContact O-N 2.96Å; D332-N492 WeakPolarHBondContact CA-O 3.48Å; D332-N493 WeakPolarHBondContact OD1-CA 3.28Å; D332-N493 WeakPolarHBondContact OD1-CB 3.48Å; D332-N493 PolarHBondContact OD1-ND2 3.12Å; D332-I533 PolarHBondContact N-O 3.47Å; D332-G534 WeakPolarHBondContact OD2-CA 3.35Å; D332-T578 HydrophobicContact CB-CG2 3.88Å; D332-T578 WeakPolarHBondContact OD2-CB 3.17Å; D332-R599 IonicContact OD1-NH1 3.23Å; D332-R599 PolarHBondContact OD1-NH1 3.31Å; D332-R599 IonicContact OD2-CZ 3.17Å; D332-R599 IonicContact OD2-NH1 3.38Å; D332-R599 PolarHBondContact OD2-NH1 2.75Å; D332-R599 IonicContact OD2-NH2 2.94Å; D332-R599 PolarHBondContact OD2-NH2 3.14Å | ||
| 333 | G | 90.8 | Very high | 88 | Confident | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.01 | 7% | 0.069 | C | C | . | . | trans | -77.5 | 143.3 | 167 | 0 | 0 | 0 | 0 | 0 | 112 | T371 N492 T578 | G333-T371 WeakPolarHBondContact CA-O 3.35Å; G333-T371 PolarHBondContact N-O 3.26Å; G333-N492 WeakPolarHBondContact CA-OD1 3.3Å; G333-N492 PolarHBondContact N-O 3.27Å; G333-N492 PolarHBondContact N-OD1 3.21Å; G333-N492 PolarHBondContact O-ND2 2.66Å; G333-T578 WeakPolarHBondContact O-CG2 3.41Å | ||
| 334 | G | 88.1 | Confident | 86.8 | Confident | 4 Ų | 4 | 9 Ų | 9 | 4% | 0.041 | 5% | 0.053 | C | C | . | . | trans | -173.9 | 13.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | L336 R337 L610 | G334-L336 PolarHBondContact O-N 3.15Å; G334-R337 VanDerWaalsContact O-CB 3.23Å; G334-R337 WeakPolarHBondContact O-CB 3.28Å; G334-R337 PolarHBondContact O-N 3.23Å; G334-R337 VanDerWaalsContact O-N 3.11Å; G334-L610 VanDerWaalsContact C-CD2 3.43Å; G334-L610 WeakPolarHBondContact O-CD2 3.47Å | ||
| 335 | G | 86.2 | Confident | 85.1 | Confident | 13 Ų | 13 | 5.6 Ų | 5.6 | 13% | 0.134 | 3% | 0.033 | C | C | . | . | G | 310 helix | trans | 56.4 | -138.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R337 G338 S373 L610 | G335-R337 PolarHBondContact O-N 2.96Å; G335-G338 PolarHBondContact O-N 2.61Å; G335-S373 WeakPolarHBondContact CA-OG 3.21Å; G335-S373 PolarHBondContact N-OG 3.43Å; G335-S373 VanDerWaalsContact N-OG 3.08Å; G335-S373 VanDerWaalsContact O-CB 3.32Å; G335-S373 WeakPolarHBondContact O-CB 3.08Å; G335-S373 PolarHBondContact O-OG 3.41Å; G335-L610 CarbonylContact C-O 3.48Å; G335-L610 VanDerWaalsContact CA-O 3.28Å; G335-L610 WeakPolarHBondContact CA-O 3.47Å |
| 336 | L | 86.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.039 | C | C | . | . | G | 310 helix | trans | -70.7 | -12.6 | 177.3 | -72 | -178.4 | 0 | 0 | 0 | 114.8 | G334 G338 L339 Y394 F397 K398 F402 L610 E612 L618 | G334-L336 PolarHBondContact O-N 3.15Å; L336-G338 PolarHBondContact O-N 3.25Å; L336-G338 VanDerWaalsContact O-N 3.13Å; L336-L339 WeakPolarHBondContact O-CB 3.23Å; L336-L339 PolarHBondContact O-N 2.87Å; L336-Y394 HydrophobicContact CD2-CD1 3.79Å; L336-Y394 HydrophobicContact CD2-CE1 4.39Å; L336-F397 HydrophobicContact CD2-CD1 3.81Å; L336-F397 HydrophobicContact CD2-CE1 4.42Å; L336-K398 HydrophobicContact CD1-CB 3.3Å; L336-K398 HydrophobicContact CD2-CB 4.28Å; L336-K398 HydrophobicContact CG-CB 4.45Å; L336-F402 HydrophobicContact CD1-CD2 3.82Å; L336-F402 HydrophobicContact CD1-CE2 3.52Å; L336-F402 HydrophobicContact CD2-CE2 4.09Å; L336-F402 HydrophobicContact CG-CD2 4.38Å; L336-F402 HydrophobicContact CG-CE2 3.58Å; L336-F402 HydrophobicContact CG-CZ 4.34Å; L336-L610 PolarHBondContact N-O 3.44Å; L336-E612 WeakPolarHBondContact CD1-O 3.46Å; L336-L618 HydrophobicContact CB-CD2 4.4Å |
| 337 | R | 86.2 | Confident | 80.9 | Confident | 25 Ų | 25 | 7.3 Ų | 7.3 | 9% | 0.094 | 4% | 0.042 | C | C | . | . | G | 310 helix | trans | -62.6 | -15.2 | 164.7 | -52 | -175.9 | -66.9 | -174.1 | 5.2 | 112.1 | G334 G335 L339 S340 A535 V608 L610 | G334-R337 VanDerWaalsContact O-CB 3.23Å; G334-R337 WeakPolarHBondContact O-CB 3.28Å; G334-R337 PolarHBondContact O-N 3.23Å; G334-R337 VanDerWaalsContact O-N 3.11Å; G335-R337 PolarHBondContact O-N 2.96Å; R337-L339 PolarHBondContact O-N 3.29Å; R337-L339 VanDerWaalsContact O-N 3.09Å; R337-S340 WeakPolarHBondContact O-CB 3.42Å; R337-S340 PolarHBondContact O-N 3.27Å; R337-S340 PolarHBondContact O-OG 2.9Å; R337-A535 HydrophobicContact CB-CB 4.24Å; R337-A535 WeakPolarHBondContact CB-O 3.47Å; R337-A535 VanDerWaalsContact O-O 3.09Å; R337-V608 WeakPolarHBondContact CD-O 3.29Å; R337-V608 HydrophobicContact CG-CB 4.26Å; R337-V608 HydrophobicContact CG-CG1 4.25Å; R337-L610 VanDerWaalsContact NE-CD2 3.35Å; R337-L610 VanDerWaalsContact NH2-CD2 3.34Å |
| 338 | G | 83.3 | Confident | 78.7 | Confident | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.037 | C | C | . | . | G | 310 helix | trans | -56 | -19.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114 | G335 L336 S340 M341 I342 | G335-G338 PolarHBondContact O-N 2.61Å; L336-G338 PolarHBondContact O-N 3.25Å; L336-G338 VanDerWaalsContact O-N 3.13Å; G338-S340 PolarHBondContact O-N 3.35Å; G338-M341 WeakPolarHBondContact O-CB 3.31Å; G338-M341 PolarHBondContact O-N 2.85Å; G338-I342 PolarHBondContact O-N 3.28Å |
| 339 | L | 84.4 | Confident | 77.2 | Confident | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -53.8 | -33.1 | 167.2 | -79.3 | 170.4 | 0 | 0 | 0 | 112.4 | L336 R337 M341 I342 Q343 Q391 Y394 F395 L618 L621 | L336-L339 WeakPolarHBondContact O-CB 3.23Å; L336-L339 PolarHBondContact O-N 2.87Å; R337-L339 PolarHBondContact O-N 3.29Å; R337-L339 VanDerWaalsContact O-N 3.09Å; L339-M341 PolarHBondContact O-N 3.37Å; L339-I342 PolarHBondContact O-N 3.46Å; L339-I342 VanDerWaalsContact O-N 3.09Å; L339-Q343 VanDerWaalsContact O-CB 3.24Å; L339-Q343 WeakPolarHBondContact O-CB 3.31Å; L339-Q343 PolarHBondContact O-N 3.01Å; L339-Q391 HydrophobicContact CD2-CG 4.31Å; L339-Y394 HydrophobicContact CD2-CG 4.32Å; L339-Y394 HydrophobicContact CG-CD1 4.35Å; L339-F395 HydrophobicContact CD1-CE2 4.23Å; L339-F395 HydrophobicContact CD1-CZ 4.25Å; L339-F395 HydrophobicContact CD2-CD2 4.07Å; L339-F395 HydrophobicContact CD2-CE2 3.91Å; L339-L618 HydrophobicContact CD1-CB 4.25Å; L339-L618 HydrophobicContact CD1-CD1 4.21Å; L339-L618 HydrophobicContact CD1-CD2 4.1Å; L339-L618 HydrophobicContact CD1-CG 4.43Å; L339-L621 HydrophobicContact CB-CD2 4.49Å |
| 340 | S | 82.3 | Confident | 76.1 | Confident | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -61.6 | -30 | 174.9 | -46.6 | 0 | 0 | 0 | 0 | 113.6 | R337 G338 A535 L621 V625 | R337-S340 WeakPolarHBondContact O-CB 3.42Å; R337-S340 PolarHBondContact O-N 3.27Å; R337-S340 PolarHBondContact O-OG 2.9Å; G338-S340 PolarHBondContact O-N 3.35Å; S340-A535 PolarHBondContact OG-O 3.23Å; S340-L621 WeakPolarHBondContact OG-CD1 3.05Å; S340-V625 WeakPolarHBondContact O-CG1 3.27Å |
| 341 | M | 84.4 | Confident | 74.9 | Confident | 1 Ų | 1 | 6.6 Ų | 6.6 | 1% | 0.005 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -75.2 | -31.2 | 176.4 | -57.8 | -171.4 | -89 | 0 | 0 | 111.4 | F331 D332 G338 L339 L350 I377 I533 G534 A535 | F331-M341 HydrophobicContact CB-SD 4.05Å; F331-M341 HydrophobicContact CD1-SD 4.18Å; D332-M341 WeakPolarHBondContact O-CE 3.24Å; G338-M341 WeakPolarHBondContact O-CB 3.31Å; G338-M341 PolarHBondContact O-N 2.85Å; L339-M341 PolarHBondContact O-N 3.37Å; M341-L350 WeakPolarHBondContact O-CG 3.2Å; M341-L350 PolarHBondContact O-N 3.02Å; M341-I377 HydrophobicContact CB-CD1 4.27Å; M341-I377 HydrophobicContact CE-CD1 3.51Å; M341-I377 HydrophobicContact SD-CD1 4.43Å; M341-I533 HydrophobicContact CB-CG2 3.81Å; M341-I533 HydrophobicContact CG-CG2 3.82Å; M341-I533 HydrophobicContact SD-CG2 4.33Å; M341-G534 WeakPolarHBondContact CG-O 3.27Å; M341-A535 HydrophobicContact CE-CB 4.19Å; M341-A535 HydrophobicContact CG-CB 4.5Å |
| 342 | I | 81.9 | Confident | 73.6 | Confident | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -88.7 | -41.4 | -171.8 | -55.8 | 158 | 0 | 0 | 0 | 111.9 | G338 L339 I351 I377 P387 I390 Q391 Y394 | G338-I342 PolarHBondContact O-N 3.28Å; L339-I342 PolarHBondContact O-N 3.46Å; L339-I342 VanDerWaalsContact O-N 3.09Å; I342-I351 WeakPolarHBondContact O-CD1 3.5Å; I342-I351 WeakPolarHBondContact O-CG1 3.37Å; I342-I377 HydrophobicContact CD1-CD1 3.8Å; I342-I377 HydrophobicContact CD1-CG1 3.98Å; I342-I377 HydrophobicContact CG1-CD1 3.73Å; I342-I377 HydrophobicContact CG1-CG1 4.06Å; I342-P387 WeakPolarHBondContact CG2-O 3.27Å; I342-I390 HydrophobicContact CD1-CG2 3.61Å; I342-I390 HydrophobicContact CG1-CG2 4Å; I342-I390 HydrophobicContact CG2-CB 4.34Å; I342-I390 HydrophobicContact CG2-CG2 4.44Å; I342-Q391 HydrophobicContact CG2-CB 3.67Å; I342-Q391 HydrophobicContact CG2-CG 4.46Å; I342-Y394 HydrophobicContact CD1-CD1 4.26Å; I342-Y394 HydrophobicContact CD1-CD2 3.57Å; I342-Y394 HydrophobicContact CD1-CE2 3.86Å; I342-Y394 HydrophobicContact CD1-CG 3.8Å |
| 343 | Q | 79.1 | Confident | 72.6 | Confident | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.039 | C | C | . | . | trans | -57.6 | 125.8 | -160.4 | 173.4 | 54.1 | 39.2 | 0 | 0 | 116.2 | I241 L339 G345 T349 C622 V625 | I241-Q343 PolarHBondContact O-NE2 2.92Å; L339-Q343 VanDerWaalsContact O-CB 3.24Å; L339-Q343 WeakPolarHBondContact O-CB 3.31Å; L339-Q343 PolarHBondContact O-N 3.01Å; Q343-G345 PolarHBondContact O-N 3.13Å; Q343-G345 VanDerWaalsContact O-N 3.15Å; Q343-T349 WeakPolarHBondContact O-CB 3.5Å; Q343-T349 WeakPolarHBondContact O-CG2 3.23Å; Q343-T349 PolarHBondContact O-OG1 3.4Å; Q343-C622 HydrophobicContact CB-CB 4.4Å; Q343-C622 HydrophobicContact CG-CB 3.65Å; Q343-C622 VanDerWaalsContact CG-O 3.29Å; Q343-C622 WeakPolarHBondContact CG-O 3.35Å; Q343-C622 PolarHBondContact OE1-SG 3.42Å; Q343-C622 VanDerWaalsContact OE1-SG 3.38Å; Q343-V625 HydrophobicContact CB-CG1 4.28Å | ||
| 344 | A | 52.1 | Low | 72.1 | Confident | 10 Ų | 10 | 8.6 Ų | 8.6 | 8% | 0.083 | 5% | 0.048 | C | C | . | . | trans | -52.1 | 121 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T349 I351 M626 | A344-T349 WeakPolarHBondContact CA-OG1 3.34Å; A344-I351 HydrophobicContact CB-CB 3.78Å; A344-I351 HydrophobicContact CB-CD1 3.84Å; A344-I351 HydrophobicContact CB-CG1 4.36Å; A344-I351 HydrophobicContact CB-CG2 3.51Å; A344-M626 WeakPolarHBondContact O-CB 3.22Å; A344-M626 VanDerWaalsContact O-SD 3.42Å | ||
| 345 | G | 47.2 | Very low | 71.6 | Confident | 6 Ų | 6 | 14.7 Ų | 14.7 | 6% | 0.062 | 8% | 0.075 | C | C | . | . | trans | -108.2 | -168.4 | 159.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q343 T349 V352 | Q343-G345 PolarHBondContact O-N 3.13Å; Q343-G345 VanDerWaalsContact O-N 3.15Å; G345-T349 PolarHBondContact N-OG1 3.43Å; G345-V352 VanDerWaalsContact N-CG2 3.34Å; G345-V352 WeakPolarHBondContact O-CG2 3.46Å | ||
| 346 | E | 43 | Very low | 71.1 | Confident | 59 Ų | 59 | 16.9 Ų | 16.9 | 28% | 0.276 | 8% | 0.081 | S | C | . | . | S | Bend | trans | -82.8 | -23.6 | 162.7 | -74.5 | -179.4 | 150.3 | 0 | 0 | 111.5 | F280 V352 K356 Q630 | F280-E346 HydrophobicContact CE1-CG 4.45Å; E346-V352 VanDerWaalsContact O-CG1 3.28Å; E346-V352 WeakPolarHBondContact O-CG1 3.36Å; E346-K356 WeakPolarHBondContact O-CE 3.43Å; E346-K356 PolarHBondContact O-NZ 3.47Å; E346-Q630 PolarHBondContact OE2-NE2 3.45Å |
| 347 | D | 49.6 | Very low | 70.7 | Confident | 14 Ų | 14 | 18.6 Ų | 18.6 | 8% | 0.075 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -133.8 | -14.7 | -157.1 | -83.1 | -26.5 | 0 | 0 | 0 | 118.6 | K356 Y629 Q630 L636 | D347-K356 IonicContact OD1-NZ 2.92Å; D347-K356 PolarHBondContact OD1-NZ 3.05Å; D347-Y629 VanDerWaalsContact CB-C 3.44Å; D347-Y629 WeakPolarHBondContact CB-O 3.38Å; D347-Q630 WeakPolarHBondContact OD2-CA 3.38Å; D347-L636 WeakPolarHBondContact O-CD1 3.38Å; D347-L636 VanDerWaalsContact O-CG 3.26Å; D347-L636 WeakPolarHBondContact O-CG 3.44Å |
| 348 | F | 47.8 | Very low | 70.4 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -171.4 | 117.3 | 159.8 | -176 | -84.8 | 0 | 0 | 0 | 111.2 | L353 V531 I533 F600 Y629 L636 | F348-L353 HydrophobicContact CD2-CD1 4.48Å; F348-L353 HydrophobicContact CD2-CD2 4.2Å; F348-L353 HydrophobicContact CD2-CG 4.22Å; F348-L353 HydrophobicContact CE1-CD1 4.39Å; F348-L353 HydrophobicContact CE2-CD1 3.64Å; F348-L353 HydrophobicContact CE2-CD2 3.72Å; F348-L353 HydrophobicContact CE2-CG 3.78Å; F348-L353 HydrophobicContact CZ-CD1 3.58Å; F348-L353 HydrophobicContact CZ-CG 4.2Å; F348-V531 HydrophobicContact CZ-CG1 4.46Å; F348-I533 HydrophobicContact CE1-CD1 4.03Å; F348-I533 HydrophobicContact CE1-CG1 4.19Å; F348-I533 HydrophobicContact CE1-CG2 4.47Å; F348-I533 HydrophobicContact CZ-CD1 3.86Å; F348-I533 HydrophobicContact CZ-CG1 4.13Å; F348-F600 HydrophobicContact CB-CD1 4.13Å; F348-F600 HydrophobicContact CB-CE1 4.26Å; F348-F600 HydrophobicContact CD1-CB 3.49Å; F348-F600 VanDerWaalsContact CD1-CB 3.49Å; F348-F600 AromaticContact CD1-CD1 3.51Å; F348-F600 HydrophobicContact CD1-CD1 3.51Å; F348-F600 HydrophobicContact CD1-CD2 4.13Å; F348-F600 HydrophobicContact CD1-CE1 4.21Å; F348-F600 AromaticContact CD1-CG 3.46Å; F348-F600 HydrophobicContact CD1-CG 3.46Å; F348-F600 VanDerWaalsContact CD1-CG 3.46Å; F348-F600 AromaticContact CD2-CD1 3.53Å; F348-F600 HydrophobicContact CD2-CD1 3.53Å; F348-F600 AromaticContact CD2-CD2 3.98Å; F348-F600 HydrophobicContact CD2-CD2 3.98Å; F348-F600 AromaticContact CD2-CE1 3.32Å; F348-F600 HydrophobicContact CD2-CE1 3.32Å; F348-F600 AromaticContact CD2-CE2 3.76Å; F348-F600 HydrophobicContact CD2-CE2 3.76Å; F348-F600 AromaticContact CD2-CG 3.84Å; F348-F600 HydrophobicContact CD2-CG 3.84Å; F348-F600 AromaticContact CD2-CZ 3.44Å; F348-F600 HydrophobicContact CD2-CZ 3.44Å; F348-F600 VanDerWaalsContact CD2-CZ 3.44Å; F348-F600 HydrophobicContact CE1-CB 3.15Å; F348-F600 AromaticContact CE1-CD1 3.76Å; F348-F600 HydrophobicContact CE1-CD1 3.76Å; F348-F600 AromaticContact CE1-CD2 3.48Å; F348-F600 HydrophobicContact CE1-CD2 3.48Å; F348-F600 VanDerWaalsContact CE1-CD2 3.48Å; F348-F600 HydrophobicContact CE1-CE1 4.47Å; F348-F600 HydrophobicContact CE1-CE2 4.2Å; F348-F600 AromaticContact CE1-CG 3.18Å; F348-F600 HydrophobicContact CE1-CG 3.18Å; F348-F600 HydrophobicContact CE2-CB 4.48Å; F348-F600 AromaticContact CE2-CD1 3.77Å; F348-F600 HydrophobicContact CE2-CD1 3.77Å; F348-F600 AromaticContact CE2-CD2 3.29Å; F348-F600 HydrophobicContact CE2-CD2 3.29Å; F348-F600 AromaticContact CE2-CE1 3.64Å; F348-F600 HydrophobicContact CE2-CE1 3.64Å; F348-F600 AromaticContact CE2-CE2 3.1Å; F348-F600 HydrophobicContact CE2-CE2 3.1Å; F348-F600 AromaticContact CE2-CG 3.6Å; F348-F600 HydrophobicContact CE2-CG 3.6Å; F348-F600 AromaticContact CE2-CZ 3.3Å; F348-F600 HydrophobicContact CE2-CZ 3.3Å; F348-F600 HydrophobicContact CG-CB 4.32Å; F348-F600 AromaticContact CG-CD1 3.42Å; F348-F600 HydrophobicContact CG-CD1 3.42Å; F348-F600 VanDerWaalsContact CG-CD1 3.42Å; F348-F600 HydrophobicContact CG-CD2 4.37Å; F348-F600 AromaticContact CG-CE1 3.67Å; F348-F600 HydrophobicContact CG-CE1 3.67Å; F348-F600 AromaticContact CG-CG 3.81Å; F348-F600 HydrophobicContact CG-CG 3.81Å; F348-F600 HydrophobicContact CG-CZ 4.22Å; F348-F600 HydrophobicContact CZ-CB 3.73Å; F348-F600 AromaticContact CZ-CD1 3.89Å; F348-F600 HydrophobicContact CZ-CD1 3.89Å; F348-F600 AromaticContact CZ-CD2 3.01Å; F348-F600 HydrophobicContact CZ-CD2 3.01Å; F348-F600 HydrophobicContact CZ-CE1 4.22Å; F348-F600 AromaticContact CZ-CE2 3.38Å; F348-F600 HydrophobicContact CZ-CE2 3.38Å; F348-F600 AromaticContact CZ-CG 3.27Å; F348-F600 HydrophobicContact CZ-CG 3.27Å; F348-F600 AromaticContact CZ-CZ 3.98Å; F348-F600 HydrophobicContact CZ-CZ 3.98Å; F348-Y629 HydrophobicContact CB-CD1 3.49Å; F348-Y629 VanDerWaalsContact CB-CD1 3.49Å; F348-Y629 HydrophobicContact CB-CD2 4.46Å; F348-Y629 HydrophobicContact CB-CE1 3.7Å; F348-Y629 HydrophobicContact CB-CG 3.86Å; F348-Y629 HydrophobicContact CD1-CD1 4.49Å; F348-Y629 AromaticContact CD1-CE1 3.85Å; F348-Y629 HydrophobicContact CD1-CE1 3.85Å; F348-Y629 HydrophobicContact CD1-CE2 4.4Å; F348-Y629 AromaticContact CD1-CZ 3.77Å; F348-Y629 HydrophobicContact CG-CD1 4.38Å; F348-Y629 HydrophobicContact CG-CE1 4.1Å; F348-Y629 WeakPolarHBondContact O-CD2 2.92Å; F348-Y629 WeakPolarHBondContact O-CE2 3.41Å; F348-L636 HydrophobicContact CB-CG 4.44Å; F348-L636 HydrophobicContact CD2-CD1 4.49Å; F348-L636 HydrophobicContact CD2-CD2 3.39Å; F348-L636 HydrophobicContact CD2-CG 3.87Å; F348-L636 HydrophobicContact CE2-CD2 3.87Å |
| 349 | T | 66 | Low | 70.3 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -164.1 | 179.7 | 156.3 | 49.3 | 0 | 0 | 0 | 0 | 106.6 | Q343 A344 G345 I351 V352 L353 V625 Y629 | Q343-T349 WeakPolarHBondContact O-CB 3.5Å; Q343-T349 WeakPolarHBondContact O-CG2 3.23Å; Q343-T349 PolarHBondContact O-OG1 3.4Å; A344-T349 WeakPolarHBondContact CA-OG1 3.34Å; G345-T349 PolarHBondContact N-OG1 3.43Å; T349-I351 PolarHBondContact O-N 3.4Å; T349-V352 PolarHBondContact O-N 2.82Å; T349-V352 VanDerWaalsContact O-N 3.14Å; T349-V352 WeakPolarHBondContact OG1-CG2 3.43Å; T349-L353 WeakPolarHBondContact O-CB 3.45Å; T349-L353 WeakPolarHBondContact O-CG 3.47Å; T349-L353 PolarHBondContact O-N 2.99Å; T349-V625 HydrophobicContact CG2-CG1 3.78Å; T349-Y629 HydrophobicContact CG2-CD2 4.22Å; T349-Y629 HydrophobicContact CG2-CE2 4.04Å |
| 350 | L | 71.5 | Confident | 70.3 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -54.4 | -40.7 | 174.9 | -71.9 | 176.4 | 0 | 0 | 0 | 113.1 | F331 M341 L353 E354 W361 I377 L381 P387 I533 | F331-L350 HydrophobicContact CE1-CD1 3.87Å; F331-L350 HydrophobicContact CE1-CD2 3.81Å; F331-L350 HydrophobicContact CE1-CG 4.16Å; F331-L350 HydrophobicContact CZ-CD1 4.47Å; F331-L350 HydrophobicContact CZ-CD2 4.01Å; M341-L350 WeakPolarHBondContact O-CG 3.2Å; M341-L350 PolarHBondContact O-N 3.02Å; L350-L353 HydrophobicContact CD2-CD1 4.42Å; L350-E354 PolarHBondContact O-N 3.17Å; L350-E354 VanDerWaalsContact O-N 3.09Å; L350-W361 HydrophobicContact CD2-CH2 3.41Å; L350-W361 VanDerWaalsContact CD2-CH2 3.41Å; L350-W361 HydrophobicContact CD2-CZ2 3.63Å; L350-W361 HydrophobicContact CD2-CZ3 4.45Å; L350-I377 HydrophobicContact CD1-CG2 3.54Å; L350-L381 HydrophobicContact CD1-CD1 3.96Å; L350-L381 HydrophobicContact CD2-CD1 4.04Å; L350-P387 HydrophobicContact CB-CB 3.65Å; L350-P387 HydrophobicContact CB-CG 3.71Å; L350-P387 WeakPolarHBondContact O-CG 3.35Å; L350-I533 HydrophobicContact CD2-CD1 4.24Å |
| 351 | I | 72.5 | Confident | 70.4 | Confident | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.5 | -44.3 | 176.8 | -67.2 | 166.1 | 0 | 0 | 0 | 110.9 | I342 A344 T349 E354 E355 P387 Q391 | I342-I351 WeakPolarHBondContact O-CD1 3.5Å; I342-I351 WeakPolarHBondContact O-CG1 3.37Å; A344-I351 HydrophobicContact CB-CB 3.78Å; A344-I351 HydrophobicContact CB-CD1 3.84Å; A344-I351 HydrophobicContact CB-CG1 4.36Å; A344-I351 HydrophobicContact CB-CG2 3.51Å; T349-I351 PolarHBondContact O-N 3.4Å; I351-E354 WeakPolarHBondContact O-CB 3.3Å; I351-E354 PolarHBondContact O-N 3.3Å; I351-E355 WeakPolarHBondContact O-CG 3.43Å; I351-E355 PolarHBondContact O-N 3.13Å; I351-P387 HydrophobicContact CB-CB 4.2Å; I351-P387 HydrophobicContact CG1-CB 3.39Å; I351-Q391 HydrophobicContact CD1-CB 4.49Å |
| 352 | V | 68.2 | Low | 70.7 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.2 | -39.3 | 179.4 | -178 | 0 | 0 | 0 | 0 | 112.5 | G345 E346 T349 E354 E355 K356 L636 | G345-V352 VanDerWaalsContact N-CG2 3.34Å; G345-V352 WeakPolarHBondContact O-CG2 3.46Å; E346-V352 VanDerWaalsContact O-CG1 3.28Å; E346-V352 WeakPolarHBondContact O-CG1 3.36Å; T349-V352 PolarHBondContact O-N 2.82Å; T349-V352 VanDerWaalsContact O-N 3.14Å; T349-V352 WeakPolarHBondContact OG1-CG2 3.43Å; V352-E354 VanDerWaalsContact C-N 3.27Å; V352-E354 PolarHBondContact O-N 3.16Å; V352-E355 PolarHBondContact O-N 2.87Å; V352-E355 VanDerWaalsContact O-N 3.17Å; V352-K356 HydrophobicContact CG1-CD 3.8Å; V352-K356 HydrophobicContact CG1-CG 4.15Å; V352-K356 WeakPolarHBondContact O-CB 3.36Å; V352-K356 PolarHBondContact O-N 2.94Å; V352-L636 HydrophobicContact CG1-CD1 4.1Å |
| 353 | L | 73.6 | Confident | 71 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58 | -45.4 | 175.2 | -81.8 | 171.2 | 0 | 0 | 0 | 109.9 | F348 T349 L350 K356 L357 W361 I533 L636 L639 | F348-L353 HydrophobicContact CD2-CD1 4.48Å; F348-L353 HydrophobicContact CD2-CD2 4.2Å; F348-L353 HydrophobicContact CD2-CG 4.22Å; F348-L353 HydrophobicContact CE1-CD1 4.39Å; F348-L353 HydrophobicContact CE2-CD1 3.64Å; F348-L353 HydrophobicContact CE2-CD2 3.72Å; F348-L353 HydrophobicContact CE2-CG 3.78Å; F348-L353 HydrophobicContact CZ-CD1 3.58Å; F348-L353 HydrophobicContact CZ-CG 4.2Å; T349-L353 WeakPolarHBondContact O-CB 3.45Å; T349-L353 WeakPolarHBondContact O-CG 3.47Å; T349-L353 PolarHBondContact O-N 2.99Å; L350-L353 HydrophobicContact CD2-CD1 4.42Å; L353-K356 PolarHBondContact O-N 3.32Å; L353-L357 HydrophobicContact CD2-CD1 3.74Å; L353-L357 HydrophobicContact CD2-CG 4.47Å; L353-L357 WeakPolarHBondContact O-CB 3.45Å; L353-L357 WeakPolarHBondContact O-CG 3.21Å; L353-L357 PolarHBondContact O-N 3.17Å; L353-W361 HydrophobicContact CB-CD2 4.49Å; L353-W361 HydrophobicContact CD1-CZ3 4.46Å; L353-I533 HydrophobicContact CD1-CD1 4.4Å; L353-L636 HydrophobicContact CD2-CD2 3.51Å; L353-L636 HydrophobicContact CG-CD2 4.46Å; L353-L639 HydrophobicContact CD2-CD2 4Å |
| 354 | E | 80 | Confident | 71.5 | Confident | 43 Ų | 43 | 40.4 Ų | 40.4 | 20% | 0.201 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.2 | -41.7 | 174.4 | -174.6 | 176.2 | 87.6 | 0 | 0 | 112.2 | L350 I351 V352 G358 P387 | L350-E354 PolarHBondContact O-N 3.17Å; L350-E354 VanDerWaalsContact O-N 3.09Å; I351-E354 WeakPolarHBondContact O-CB 3.3Å; I351-E354 PolarHBondContact O-N 3.3Å; V352-E354 VanDerWaalsContact C-N 3.27Å; V352-E354 PolarHBondContact O-N 3.16Å; E354-G358 CarbonylContact O-C 3.49Å; E354-G358 WeakPolarHBondContact O-CA 3.36Å; E354-G358 PolarHBondContact O-N 3.35Å; E354-P387 HydrophobicContact CB-CG 4.33Å; E354-P387 WeakPolarHBondContact OE2-CD 3.22Å |
| 355 | E | 78 | Confident | 73.5 | Confident | 131 Ų | 131 | 40 Ų | 40 | 61% | 0.612 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -66.3 | -42 | 178 | -72.9 | 170.9 | 178.1 | 0 | 0 | 112.8 | I351 V352 | I351-E355 WeakPolarHBondContact O-CG 3.43Å; I351-E355 PolarHBondContact O-N 3.13Å; V352-E355 PolarHBondContact O-N 2.87Å; V352-E355 VanDerWaalsContact O-N 3.17Å |
| 356 | K | 75 | Confident | 75.6 | Confident | 60 Ų | 60 | 42.9 Ų | 42.9 | 26% | 0.261 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -86.6 | -32.7 | -174.9 | -74.8 | -176.2 | 175.6 | -174.1 | 0 | 114.6 | E346 D347 V352 L353 L636 K640 | E346-K356 WeakPolarHBondContact O-CE 3.43Å; E346-K356 PolarHBondContact O-NZ 3.47Å; D347-K356 IonicContact OD1-NZ 2.92Å; D347-K356 PolarHBondContact OD1-NZ 3.05Å; V352-K356 HydrophobicContact CG1-CD 3.8Å; V352-K356 HydrophobicContact CG1-CG 4.15Å; V352-K356 WeakPolarHBondContact O-CB 3.36Å; V352-K356 PolarHBondContact O-N 2.94Å; L353-K356 PolarHBondContact O-N 3.32Å; K356-L636 HydrophobicContact CD-CD1 3.39Å; K356-K640 PolarHBondContact O-NZ 2.86Å |
| 357 | L | 77.9 | Confident | 78.1 | Confident | 36 Ų | 36 | 40.5 Ų | 40.5 | 19% | 0.188 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -98.4 | -13.7 | 179.1 | -57.9 | 178.2 | 0 | 0 | 0 | 112.7 | L353 W361 K640 L643 | L353-L357 HydrophobicContact CD2-CD1 3.74Å; L353-L357 HydrophobicContact CD2-CG 4.47Å; L353-L357 WeakPolarHBondContact O-CB 3.45Å; L353-L357 WeakPolarHBondContact O-CG 3.21Å; L353-L357 PolarHBondContact O-N 3.17Å; L357-W361 HydrophobicContact CB-CB 3.54Å; L357-W361 HydrophobicContact CD1-CB 4.07Å; L357-W361 HydrophobicContact CG-CB 4.44Å; L357-K640 HydrophobicContact CD2-CB 3.59Å; L357-K640 HydrophobicContact CD2-CD 4.07Å; L357-K640 HydrophobicContact CD2-CG 3.61Å; L357-L643 HydrophobicContact CD1-CD1 3.86Å |
| 358 | G | 81.3 | Confident | 80.4 | Confident | 30 Ų | 30 | 39.9 Ų | 39.9 | 31% | 0.309 | 21% | 0.205 | S | C | . | . | trans | 93.9 | 170.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E354 D360 W361 | E354-G358 CarbonylContact O-C 3.49Å; E354-G358 WeakPolarHBondContact O-CA 3.36Å; E354-G358 PolarHBondContact O-N 3.35Å; G358-D360 PolarHBondContact O-N 2.7Å; G358-D360 VanDerWaalsContact O-N 3.15Å; G358-W361 WeakPolarHBondContact O-CB 3.3Å; G358-W361 PolarHBondContact O-N 2.87Å; G358-W361 VanDerWaalsContact O-N 3.09Å | ||
| 359 | K | 81.5 | Confident | 82.7 | Confident | 176 Ų | 176 | 39.9 Ų | 39.9 | 77% | 0.765 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -26.3 | -175.6 | -68.7 | -175.6 | 177.3 | -179.1 | 0 | 114.1 | W361 | K359-W361 VanDerWaalsContact C-N 3.34Š|
| 360 | D | 83.2 | Confident | 84.1 | Confident | 121 Ų | 121 | 39.9 Ų | 39.9 | 65% | 0.647 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 14.3 | -178.9 | -52.3 | -36.8 | 0 | 0 | 0 | 112.7 | G358 L362 D363 | G358-D360 PolarHBondContact O-N 2.7Å; G358-D360 VanDerWaalsContact O-N 3.15Å; D360-L362 PolarHBondContact O-N 3.21Å; D360-D363 WeakPolarHBondContact O-CB 3.14Å; D360-D363 PolarHBondContact O-N 3.01Å |
| 361 | W | 85.9 | Confident | 85.1 | Confident | 5 Ų | 5 | 39.9 Ų | 39.9 | 2% | 0.019 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -50.6 | -37.8 | -177.4 | 72.2 | -87.3 | 0 | 0 | 0 | 112.9 | I329 L350 L353 L357 G358 K359 D363 S364 F365 L381 | I329-W361 HydrophobicContact CD1-CH2 4Å; I329-W361 HydrophobicContact CD1-CZ3 3.75Å; L350-W361 HydrophobicContact CD2-CH2 3.41Å; L350-W361 VanDerWaalsContact CD2-CH2 3.41Å; L350-W361 HydrophobicContact CD2-CZ2 3.63Å; L350-W361 HydrophobicContact CD2-CZ3 4.45Å; L353-W361 HydrophobicContact CB-CD2 4.49Å; L353-W361 HydrophobicContact CD1-CZ3 4.46Å; L357-W361 HydrophobicContact CB-CB 3.54Å; L357-W361 HydrophobicContact CD1-CB 4.07Å; L357-W361 HydrophobicContact CG-CB 4.44Å; G358-W361 WeakPolarHBondContact O-CB 3.3Å; G358-W361 PolarHBondContact O-N 2.87Å; G358-W361 VanDerWaalsContact O-N 3.09Å; K359-W361 VanDerWaalsContact C-N 3.34Å; W361-D363 PolarHBondContact O-N 3.29Å; W361-S364 VanDerWaalsContact O-CB 3.27Å; W361-S364 WeakPolarHBondContact O-CB 3.47Å; W361-S364 PolarHBondContact O-N 2.96Å; W361-S364 VanDerWaalsContact O-N 3.09Å; W361-S364 PolarHBondContact O-OG 2.88Å; W361-F365 AromaticContact CE3-CD2 3.99Å; W361-F365 HydrophobicContact CE3-CD2 3.99Å; W361-F365 AromaticContact CE3-CE2 3.76Å; W361-F365 HydrophobicContact CE3-CE2 3.76Å; W361-F365 AromaticContact CZ3-CD2 3.88Å; W361-F365 HydrophobicContact CZ3-CD2 3.88Å; W361-F365 AromaticContact CZ3-CE2 3.74Å; W361-F365 HydrophobicContact CZ3-CE2 3.74Å; W361-L381 HydrophobicContact CH2-CD1 4.33Å; W361-L381 HydrophobicContact CZ2-CD1 4.37Å; W361-L381 HydrophobicContact CZ2-CD2 4.13Å |
| 362 | L | 89.4 | Confident | 85.9 | Confident | 19 Ų | 19 | 41.1 Ų | 41.1 | 10% | 0.099 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -64.3 | -24 | -178.5 | -164.1 | 72.7 | 0 | 0 | 0 | 112.1 | D360 S364 F365 M368 L381 K432 | D360-L362 PolarHBondContact O-N 3.21Å; L362-S364 PolarHBondContact O-N 3.21Å; L362-F365 PolarHBondContact O-N 3.13Å; L362-M368 HydrophobicContact CD1-SD 3.66Å; L362-M368 HydrophobicContact CG-SD 4.29Å; L362-L381 HydrophobicContact CD1-CB 4.38Å; L362-L381 HydrophobicContact CD1-CD1 4.38Å; L362-L381 HydrophobicContact CD2-CB 3.92Å; L362-L381 WeakPolarHBondContact CD2-O 3.32Å; L362-K432 VanDerWaalsContact C-NZ 3.33Å; L362-K432 HydrophobicContact CD2-CD 4.25Å; L362-K432 HydrophobicContact CG-CD 4.2Å; L362-K432 PolarHBondContact O-NZ 2.85Å |
| 363 | D | 89.2 | Confident | 86.9 | Confident | 99 Ų | 99 | 41.2 Ų | 41.2 | 53% | 0.529 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -69.9 | -17.8 | 176.3 | -71.2 | -17.6 | 0 | 0 | 0 | 113.8 | D360 W361 F365 K432 | D360-D363 WeakPolarHBondContact O-CB 3.14Å; D360-D363 PolarHBondContact O-N 3.01Å; W361-D363 PolarHBondContact O-N 3.29Å; D363-F365 PolarHBondContact O-N 3.01Å; D363-K432 VanDerWaalsContact CA-NZ 3.34Å; D363-K432 IonicContact OD1-NZ 3.38Å; D363-K432 PolarHBondContact OD1-NZ 3.08Å |
| 364 | S | 89.3 | Confident | 87.9 | Confident | 34 Ų | 34 | 41.2 Ų | 41.2 | 24% | 0.238 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -71.1 | -11.7 | 169.4 | -47.2 | 0 | 0 | 0 | 0 | 112.6 | N327 W361 L362 | N327-S364 WeakPolarHBondContact CB-O 3.39Å; N327-S364 PolarHBondContact ND2-O 2.81Å; W361-S364 VanDerWaalsContact O-CB 3.27Å; W361-S364 WeakPolarHBondContact O-CB 3.47Å; W361-S364 PolarHBondContact O-N 2.96Å; W361-S364 VanDerWaalsContact O-N 3.09Å; W361-S364 PolarHBondContact O-OG 2.88Å; L362-S364 PolarHBondContact O-N 3.21Å |
| 365 | F | 92.8 | Very high | 88.5 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | trans | -111.9 | 128.1 | 178.8 | -64.4 | -84.2 | 0 | 0 | 0 | 111.9 | N327 L328 I329 W361 L362 D363 K432 V531 L643 | N327-F365 HydrophobicContact CB-CD1 3.99Å; N327-F365 HydrophobicContact CB-CE1 4.49Å; L328-F365 WeakPolarHBondContact O-CE1 3.46Å; I329-F365 HydrophobicContact CB-CD1 3.63Å; I329-F365 HydrophobicContact CB-CE1 3.81Å; I329-F365 HydrophobicContact CB-CG 4.08Å; I329-F365 HydrophobicContact CB-CZ 4.4Å; I329-F365 HydrophobicContact CD1-CE2 4.42Å; I329-F365 HydrophobicContact CD1-CZ 4.36Å; I329-F365 HydrophobicContact CG2-CB 3.85Å; I329-F365 HydrophobicContact CG2-CD1 3.76Å; I329-F365 HydrophobicContact CG2-CD2 4.37Å; I329-F365 HydrophobicContact CG2-CE1 4.39Å; I329-F365 HydrophobicContact CG2-CG 3.73Å; W361-F365 AromaticContact CE3-CD2 3.99Å; W361-F365 HydrophobicContact CE3-CD2 3.99Å; W361-F365 AromaticContact CE3-CE2 3.76Å; W361-F365 HydrophobicContact CE3-CE2 3.76Å; W361-F365 AromaticContact CZ3-CD2 3.88Å; W361-F365 HydrophobicContact CZ3-CD2 3.88Å; W361-F365 AromaticContact CZ3-CE2 3.74Å; W361-F365 HydrophobicContact CZ3-CE2 3.74Å; L362-F365 PolarHBondContact O-N 3.13Å; D363-F365 PolarHBondContact O-N 3.01Å; F365-K432 PolarHBondContact O-NZ 3.35Å; F365-V531 HydrophobicContact CE1-CB 4.12Å; F365-V531 HydrophobicContact CE1-CG2 3.76Å; F365-V531 HydrophobicContact CZ-CB 4.37Å; F365-V531 HydrophobicContact CZ-CG2 3.86Å; F365-L643 HydrophobicContact CE1-CD2 4.29Å; F365-L643 HydrophobicContact CE2-CD1 3.66Å; F365-L643 HydrophobicContact CE2-CD2 4.41Å; F365-L643 HydrophobicContact CZ-CD1 3.64Å; F365-L643 HydrophobicContact CZ-CD2 4.07Å; F365-L643 HydrophobicContact CZ-CG 4.5Å | ||
| 366 | N | 92.3 | Very high | 89.1 | Confident | 67 Ų | 67 | 33.4 Ų | 33.4 | 36% | 0.358 | 18% | 0.178 | S | C | . | . | trans | -100.5 | -25.3 | -178.1 | -42.5 | 95.4 | 0 | 0 | 0 | 112.2 | Y325 N327 K433 | Y325-N366 PolarHBondContact O-OD1 3.32Å; N327-N366 PolarHBondContact N-OD1 3.08Å; N327-N366 VanDerWaalsContact N-OD1 3.13Å; N327-N366 PolarHBondContact O-N 3.04Å; N366-K433 PolarHBondContact O-N 2.99Å | ||
| 367 | W | 96.3 | Very high | 89.9 | Confident | 9 Ų | 9 | 30.5 Ų | 30.5 | 3% | 0.034 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 129.1 | -171.6 | -74.4 | 91.1 | 0 | 0 | 0 | 110 | N327 L328 I329 K433 I435 Y454 L498 E501 V502 F505 | N327-W367 PolarHBondContact O-N 2.85Å; L328-W367 WeakPolarHBondContact CA-O 3.47Å; L328-W367 HydrophobicContact CD1-CB 3.86Å; L328-W367 HydrophobicContact CD1-CG 4.21Å; L328-W367 HydrophobicContact CG-CB 3.75Å; L328-W367 HydrophobicContact CG-CG 4.49Å; I329-W367 PolarHBondContact N-O 3.44Å; W367-K433 WeakPolarHBondContact CA-O 3.35Å; W367-K433 HydrophobicContact CD2-CB 3.79Å; W367-K433 HydrophobicContact CD2-CD 3.93Å; W367-K433 HydrophobicContact CD2-CG 4.48Å; W367-K433 VanDerWaalsContact CE2-CD 3.46Å; W367-K433 HydrophobicContact CE3-CB 3.63Å; W367-K433 HydrophobicContact CE3-CD 4.1Å; W367-K433 HydrophobicContact CG-CB 4.41Å; W367-K433 HydrophobicContact CH2-CB 4.38Å; W367-K433 HydrophobicContact CH2-CD 3.42Å; W367-K433 VanDerWaalsContact CH2-CD 3.42Å; W367-K433 HydrophobicContact CZ2-CD 3.2Å; W367-K433 HydrophobicContact CZ2-CG 4.46Å; W367-K433 HydrophobicContact CZ3-CB 3.95Å; W367-K433 HydrophobicContact CZ3-CD 3.87Å; W367-I435 HydrophobicContact CZ3-CD1 4.46Å; W367-Y454 HydrophobicContact CH2-CE2 4Å; W367-Y454 AromaticContact CH2-CZ 3.87Å; W367-Y454 AromaticContact CZ3-CE1 3.88Å; W367-Y454 HydrophobicContact CZ3-CE1 3.88Å; W367-Y454 HydrophobicContact CZ3-CE2 4.12Å; W367-Y454 AromaticContact CZ3-CZ 3.51Å; W367-Y454 WeakPolarHBondContact CZ3-OH 3.44Å; W367-L498 HydrophobicContact CB-CD1 3.98Å; W367-L498 HydrophobicContact CB-CG 4.46Å; W367-L498 HydrophobicContact CE3-CD1 3.98Å; W367-E501 HydrophobicContact CZ3-CB 4.22Å; W367-V502 HydrophobicContact CB-CG2 4.47Å; W367-V502 HydrophobicContact CD2-CG2 3.53Å; W367-V502 HydrophobicContact CE3-CG2 3.85Å; W367-V502 HydrophobicContact CG-CG2 3.83Å; W367-V502 HydrophobicContact CH2-CG2 4.29Å; W367-V502 HydrophobicContact CZ2-CB 4.39Å; W367-V502 HydrophobicContact CZ2-CG2 4.02Å; W367-V502 HydrophobicContact CZ3-CG2 4.2Å; W367-F505 HydrophobicContact CH2-CB 3.6Å; W367-F505 HydrophobicContact CH2-CD2 4.19Å; W367-F505 AromaticContact CH2-CG 3.89Å; W367-F505 HydrophobicContact CH2-CG 3.89Å; W367-F505 HydrophobicContact CZ2-CB 3.91Å; W367-F505 HydrophobicContact CZ2-CD1 4.2Å; W367-F505 HydrophobicContact CZ2-CD2 4.47Å; W367-F505 AromaticContact CZ2-CG 3.94Å; W367-F505 HydrophobicContact CZ2-CG 3.94Å |
| 368 | M | 96.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 143.8 | -178.1 | -57.9 | -161.9 | -65.7 | 0 | 0 | 111.7 | I329 L362 C382 K432 K433 L434 I435 | I329-M368 HydrophobicContact CG2-CB 4.33Å; I329-M368 HydrophobicContact CG2-CG 3.49Å; I329-M368 VanDerWaalsContact CG2-CG 3.49Å; I329-M368 HydrophobicContact CG2-SD 3.71Å; I329-M368 WeakPolarHBondContact O-CA 3.43Å; L362-M368 HydrophobicContact CD1-SD 3.66Å; L362-M368 HydrophobicContact CG-SD 4.29Å; M368-C382 HydrophobicContact CE-CB 4.44Å; M368-C382 WeakPolarHBondContact CE-SG 3.43Å; M368-K432 HydrophobicContact CE-CB 4.07Å; M368-K432 HydrophobicContact CE-CD 3.43Å; M368-K432 VanDerWaalsContact CE-CD 3.43Å; M368-K432 HydrophobicContact CE-CG 4.34Å; M368-K432 HydrophobicContact SD-CD 4.12Å; M368-K433 PolarHBondContact N-O 3.23Å; M368-L434 HydrophobicContact CB-CD1 3.91Å; M368-L434 CarbonylContact O-C 3.57Å; M368-L434 WeakPolarHBondContact O-CA 3.39Å; M368-I435 PolarHBondContact O-N 3.48Å |
| 369 | A | 96.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 149 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I329 S330 F331 I435 P494 L498 | I329-A369 PolarHBondContact O-N 3.21Å; I329-A369 VanDerWaalsContact O-N 3.09Å; S330-A369 CarbonylContact C-O 3.45Å; S330-A369 VanDerWaalsContact CA-O 3.31Å; S330-A369 WeakPolarHBondContact CA-O 2.9Å; F331-A369 PolarHBondContact N-O 3.32Å; A369-I435 CarbonylContact C-O 3.33Å; A369-I435 VanDerWaalsContact CA-O 3.24Å; A369-I435 WeakPolarHBondContact CA-O 3.5Å; A369-I435 HydrophobicContact CB-CB 4.15Å; A369-P494 HydrophobicContact CB-CB 3.83Å; A369-P494 HydrophobicContact CB-CG 3.85Å; A369-L498 HydrophobicContact CB-CB 3.88Å; A369-L498 HydrophobicContact CB-CD1 4.03Å; A369-L498 HydrophobicContact CB-CD2 3.95Å; A369-L498 HydrophobicContact CB-CG 4.16Å |
| 370 | G | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 148.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F331 I435 V436 T437 | F331-G370 WeakPolarHBondContact O-CA 3.46Å; G370-I435 PolarHBondContact N-O 3.16Å; G370-V436 WeakPolarHBondContact O-CA 3.47Å; G370-T437 PolarHBondContact O-N 3.08Å |
| 371 | T | 92.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 132.7 | 171.7 | -55.7 | 0 | 0 | 0 | 0 | 109.3 | F331 G333 S373 G374 A375 T437 S491 | F331-T371 PolarHBondContact O-N 2.99Å; G333-T371 WeakPolarHBondContact CA-O 3.35Å; G333-T371 PolarHBondContact N-O 3.26Å; T371-S373 PolarHBondContact O-N 3.41Å; T371-S373 VanDerWaalsContact O-N 3.1Å; T371-G374 WeakPolarHBondContact O-CA 2.94Å; T371-G374 PolarHBondContact O-N 3.31Å; T371-A375 PolarHBondContact O-N 3.44Å; T371-T437 WeakPolarHBondContact CA-OG1 3.37Å; T371-T437 WeakPolarHBondContact CB-OG1 3.38Å; T371-T437 WeakPolarHBondContact CG2-OG1 3.29Å; T371-T437 PolarHBondContact OG1-OG1 2.91Å; T371-S491 WeakPolarHBondContact CB-O 3.28Å; T371-S491 WeakPolarHBondContact CG2-O 3.47Å; T371-S491 PolarHBondContact OG1-O 2.83Å |
| 372 | S | 88.9 | Confident | 92.4 | Very high | 30 Ų | 30 | 14 Ų | 14 | 21% | 0.21 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | -117.8 | 173.1 | -165.2 | 0 | 0 | 0 | 0 | 111.5 | G374 A375 I376 D486 | S372-G374 VanDerWaalsContact C-N 3.31Å; S372-G374 PolarHBondContact O-N 3.45Å; S372-A375 WeakPolarHBondContact O-CA 3.43Å; S372-A375 VanDerWaalsContact O-CB 3.27Å; S372-A375 WeakPolarHBondContact O-CB 3.47Å; S372-A375 PolarHBondContact O-N 3.4Å; S372-I376 PolarHBondContact O-N 2.89Å; S372-I376 VanDerWaalsContact O-N 3.12Å; S372-D486 WeakPolarHBondContact CB-OD1 3.44Å; S372-D486 WeakPolarHBondContact CB-OD2 3.5Å; S372-D486 PolarHBondContact OG-OD2 3.49Å |
| 373 | S | 90.4 | Very high | 92.4 | Very high | 4 Ų | 4 | 15.5 Ų | 15.5 | 3% | 0.028 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -53.8 | -41.6 | 170.9 | -66.1 | 0 | 0 | 0 | 0 | 114.5 | G335 T371 A375 I376 I377 Y394 | G335-S373 WeakPolarHBondContact CA-OG 3.21Å; G335-S373 PolarHBondContact N-OG 3.43Å; G335-S373 VanDerWaalsContact N-OG 3.08Å; G335-S373 VanDerWaalsContact O-CB 3.32Å; G335-S373 WeakPolarHBondContact O-CB 3.08Å; G335-S373 PolarHBondContact O-OG 3.41Å; T371-S373 PolarHBondContact O-N 3.41Å; T371-S373 VanDerWaalsContact O-N 3.1Å; S373-A375 PolarHBondContact O-N 2.93Å; S373-I376 PolarHBondContact O-N 3.1Å; S373-I377 WeakPolarHBondContact O-CG1 3.18Å; S373-I377 PolarHBondContact O-N 2.94Å; S373-Y394 VanDerWaalsContact CA-OH 3.31Å; S373-Y394 WeakPolarHBondContact CA-OH 3.37Å; S373-Y394 WeakPolarHBondContact CB-OH 3.36Å; S373-Y394 PolarHBondContact O-OH 3.13Å |
| 374 | G | 93 | Very high | 92.4 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.8 | -32.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F331 D332 T371 S372 A378 | F331-G374 VanDerWaalsContact CB-CA 3.42Å; D332-G374 WeakPolarHBondContact O-CA 3.41Å; D332-G374 PolarHBondContact O-N 2.96Å; T371-G374 WeakPolarHBondContact O-CA 2.94Å; T371-G374 PolarHBondContact O-N 3.31Å; S372-G374 VanDerWaalsContact C-N 3.31Å; S372-G374 PolarHBondContact O-N 3.45Å; G374-A378 VanDerWaalsContact O-CB 3.26Å; G374-A378 WeakPolarHBondContact O-CB 3.29Å; G374-A378 PolarHBondContact O-N 3.32Å |
| 375 | A | 92.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -68.1 | -44.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | T371 S372 S373 I377 A378 I379 V436 | T371-A375 PolarHBondContact O-N 3.44Å; S372-A375 WeakPolarHBondContact O-CA 3.43Å; S372-A375 VanDerWaalsContact O-CB 3.27Å; S372-A375 WeakPolarHBondContact O-CB 3.47Å; S372-A375 PolarHBondContact O-N 3.4Å; S373-A375 PolarHBondContact O-N 2.93Å; A375-I377 VanDerWaalsContact C-N 3.29Å; A375-I377 PolarHBondContact O-N 3.14Å; A375-A378 PolarHBondContact O-N 3.4Å; A375-I379 WeakPolarHBondContact O-CB 3.16Å; A375-I379 WeakPolarHBondContact O-CD1 3.21Å; A375-I379 WeakPolarHBondContact O-CG1 3.19Å; A375-I379 PolarHBondContact O-N 2.9Å; A375-V436 HydrophobicContact CB-CB 4.3Å; A375-V436 HydrophobicContact CB-CG1 3.63Å; A375-V436 HydrophobicContact CB-CG2 3.92Å |
| 376 | I | 91 | Very high | 92.4 | Very high | 9 Ų | 9 | 15.5 Ų | 15.5 | 5% | 0.046 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.5 | -44.4 | 176.4 | -64 | 172.8 | 0 | 0 | 0 | 110.3 | S372 S373 A380 Y394 F397 L417 F421 | S372-I376 PolarHBondContact O-N 2.89Å; S372-I376 VanDerWaalsContact O-N 3.12Å; S373-I376 PolarHBondContact O-N 3.1Å; I376-A380 VanDerWaalsContact O-CB 3.3Å; I376-A380 WeakPolarHBondContact O-CB 3.34Å; I376-A380 PolarHBondContact O-N 3.36Å; I376-Y394 HydrophobicContact CG2-CE2 4.1Å; I376-F397 HydrophobicContact CD1-CE2 4.09Å; I376-F397 HydrophobicContact CD1-CZ 4.22Å; I376-L417 HydrophobicContact CD1-CD2 4.28Å; I376-L417 HydrophobicContact CG1-CD2 4.34Å; I376-L417 HydrophobicContact CG2-CD2 4.09Å; I376-F421 HydrophobicContact CG2-CZ 4.12Å |
| 377 | I | 92.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.7 | -49.8 | 177.2 | -68 | 163 | 0 | 0 | 0 | 111.1 | F331 M341 I342 L350 S373 A375 I379 A380 L381 I390 Y394 | F331-I377 HydrophobicContact CD1-CG2 4.13Å; F331-I377 HydrophobicContact CE1-CG2 4.12Å; M341-I377 HydrophobicContact CB-CD1 4.27Å; M341-I377 HydrophobicContact CE-CD1 3.51Å; M341-I377 HydrophobicContact SD-CD1 4.43Å; I342-I377 HydrophobicContact CD1-CD1 3.8Å; I342-I377 HydrophobicContact CD1-CG1 3.98Å; I342-I377 HydrophobicContact CG1-CD1 3.73Å; I342-I377 HydrophobicContact CG1-CG1 4.06Å; L350-I377 HydrophobicContact CD1-CG2 3.54Å; S373-I377 WeakPolarHBondContact O-CG1 3.18Å; S373-I377 PolarHBondContact O-N 2.94Å; A375-I377 VanDerWaalsContact C-N 3.29Å; A375-I377 PolarHBondContact O-N 3.14Å; I377-I379 VanDerWaalsContact C-N 3.32Å; I377-I379 PolarHBondContact O-N 2.8Å; I377-A380 PolarHBondContact O-N 3.41Å; I377-L381 HydrophobicContact CG2-CD1 4Å; I377-L381 HydrophobicContact CG2-CG 4.41Å; I377-L381 WeakPolarHBondContact O-CG 3.37Å; I377-L381 PolarHBondContact O-N 2.88Å; I377-I390 HydrophobicContact CG1-CG2 4.04Å; I377-Y394 HydrophobicContact CD1-CE2 4.38Å; I377-Y394 HydrophobicContact CG1-CE2 3.81Å |
| 378 | A | 93.2 | Very high | 92 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61 | -40.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F331 G374 A375 C382 L434 | F331-A378 HydrophobicContact CD2-CB 3.8Å; F331-A378 HydrophobicContact CE2-CB 4.14Å; G374-A378 VanDerWaalsContact O-CB 3.26Å; G374-A378 WeakPolarHBondContact O-CB 3.29Å; G374-A378 PolarHBondContact O-N 3.32Å; A375-A378 PolarHBondContact O-N 3.4Å; A378-C382 PolarHBondContact O-N 3.19Å; A378-C382 PolarHBondContact O-SG 3.27Å; A378-L434 HydrophobicContact CB-CD1 3.65Å |
| 379 | I | 92.3 | Very high | 91.8 | Very high | 4 Ų | 4 | 17.3 Ų | 17.3 | 2% | 0.021 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.5 | -47.1 | 174.6 | -67.6 | 165.3 | 0 | 0 | 0 | 110.4 | A375 I377 L381 C382 L383 F421 L434 V436 Y476 | A375-I379 WeakPolarHBondContact O-CB 3.16Å; A375-I379 WeakPolarHBondContact O-CD1 3.21Å; A375-I379 WeakPolarHBondContact O-CG1 3.19Å; A375-I379 PolarHBondContact O-N 2.9Å; I377-I379 VanDerWaalsContact C-N 3.32Å; I377-I379 PolarHBondContact O-N 2.8Å; I379-L381 VanDerWaalsContact C-N 3.32Å; I379-L381 PolarHBondContact O-N 3.38Å; I379-C382 WeakPolarHBondContact O-CB 3.27Å; I379-C382 PolarHBondContact O-N 3.01Å; I379-L383 HydrophobicContact CG2-CD1 3.89Å; I379-L383 HydrophobicContact CG2-CG 4.4Å; I379-L383 WeakPolarHBondContact O-CG 3.26Å; I379-L383 PolarHBondContact O-N 3.32Å; I379-F421 HydrophobicContact CG2-CD2 4.23Å; I379-F421 HydrophobicContact CG2-CE2 3.99Å; I379-F421 HydrophobicContact CG2-CZ 4.26Å; I379-L434 HydrophobicContact CG1-CD2 3.68Å; I379-V436 HydrophobicContact CD1-CG2 4.11Å; I379-V436 HydrophobicContact CG1-CG2 4.33Å; I379-Y476 HydrophobicContact CD1-CE1 4.04Å; I379-Y476 HydrophobicContact CG2-CE1 4.26Å |
| 380 | A | 91.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.5 | -42.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I376 I377 L383 G384 K385 I390 F421 | I376-A380 VanDerWaalsContact O-CB 3.3Å; I376-A380 WeakPolarHBondContact O-CB 3.34Å; I376-A380 PolarHBondContact O-N 3.36Å; I377-A380 PolarHBondContact O-N 3.41Å; A380-L383 PolarHBondContact O-N 3.49Å; A380-G384 PolarHBondContact O-N 3.18Å; A380-K385 HydrophobicContact CB-CB 4.37Å; A380-K385 HydrophobicContact CB-CD 4.18Å; A380-K385 WeakPolarHBondContact O-CB 3.08Å; A380-K385 PolarHBondContact O-N 3.32Å; A380-I390 HydrophobicContact CB-CD1 3.66Å; A380-I390 HydrophobicContact CB-CG1 3.69Å; A380-F421 HydrophobicContact CB-CE1 3.71Å; A380-F421 HydrophobicContact CB-CZ 4Å |
| 381 | L | 92.6 | Very high | 91.5 | Very high | 6 Ų | 6 | 17.3 Ų | 17.3 | 3% | 0.031 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.8 | -44.6 | 174.2 | -70.6 | 172.9 | 0 | 0 | 0 | 111.8 | F331 L350 W361 L362 I377 I379 L383 G384 P387 I390 | F331-L381 HydrophobicContact CE1-CD1 4.27Å; F331-L381 HydrophobicContact CE2-CD1 4.07Å; F331-L381 HydrophobicContact CZ-CD1 3.55Å; L350-L381 HydrophobicContact CD1-CD1 3.96Å; L350-L381 HydrophobicContact CD2-CD1 4.04Å; W361-L381 HydrophobicContact CH2-CD1 4.33Å; W361-L381 HydrophobicContact CZ2-CD1 4.37Å; W361-L381 HydrophobicContact CZ2-CD2 4.13Å; L362-L381 HydrophobicContact CD1-CB 4.38Å; L362-L381 HydrophobicContact CD1-CD1 4.38Å; L362-L381 HydrophobicContact CD2-CB 3.92Å; L362-L381 WeakPolarHBondContact CD2-O 3.32Å; I377-L381 HydrophobicContact CG2-CD1 4Å; I377-L381 HydrophobicContact CG2-CG 4.41Å; I377-L381 WeakPolarHBondContact O-CG 3.37Å; I377-L381 PolarHBondContact O-N 2.88Å; I379-L381 VanDerWaalsContact C-N 3.32Å; I379-L381 PolarHBondContact O-N 3.38Å; L381-L383 PolarHBondContact O-N 3.34Å; L381-G384 PolarHBondContact O-N 3.24Å; L381-P387 HydrophobicContact CD2-CG 4.33Å; L381-I390 HydrophobicContact CD2-CD1 3.61Å; L381-I390 HydrophobicContact CG-CD1 3.7Å |
| 382 | C | 91.7 | Very high | 91.5 | Very high | 11 Ų | 11 | 19.7 Ų | 19.7 | 7% | 0.074 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.1 | -36.3 | 175.1 | -72.3 | 0 | 0 | 0 | 0 | 113 | M368 A378 I379 G384 I429 | M368-C382 HydrophobicContact CE-CB 4.44Å; M368-C382 WeakPolarHBondContact CE-SG 3.43Å; A378-C382 PolarHBondContact O-N 3.19Å; A378-C382 PolarHBondContact O-SG 3.27Å; I379-C382 WeakPolarHBondContact O-CB 3.27Å; I379-C382 PolarHBondContact O-N 3.01Å; C382-G384 PolarHBondContact O-N 3.33Å; C382-I429 HydrophobicContact CB-CB 4.42Å; C382-I429 HydrophobicContact CB-CD1 3.59Å; C382-I429 HydrophobicContact CB-CG1 3.84Å; C382-I429 HydrophobicContact CB-CG2 3.71Å |
| 383 | L | 90.6 | Very high | 91.6 | Very high | 51 Ų | 51 | 18.3 Ų | 18.3 | 27% | 0.267 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 4.8 | 178.6 | -65 | 176 | 0 | 0 | 0 | 112.8 | I379 A380 L381 F421 N424 I429 | I379-L383 HydrophobicContact CG2-CD1 3.89Å; I379-L383 HydrophobicContact CG2-CG 4.4Å; I379-L383 WeakPolarHBondContact O-CG 3.26Å; I379-L383 PolarHBondContact O-N 3.32Å; A380-L383 PolarHBondContact O-N 3.49Å; L381-L383 PolarHBondContact O-N 3.34Å; L383-F421 HydrophobicContact CD1-CB 3.82Å; L383-F421 HydrophobicContact CD1-CD1 3.74Å; L383-F421 HydrophobicContact CD1-CE1 4.45Å; L383-F421 HydrophobicContact CD1-CG 3.82Å; L383-N424 HydrophobicContact CD1-CB 4.44Å; L383-N424 HydrophobicContact CD2-CB 4Å; L383-I429 HydrophobicContact CD2-CG1 4.37Å |
| 384 | G | 89.3 | Confident | 91.7 | Very high | 63 Ų | 63 | 18.1 Ų | 18.1 | 65% | 0.649 | 10% | 0.103 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | 13.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115 | A380 L381 C382 | A380-G384 PolarHBondContact O-N 3.18Å; L381-G384 PolarHBondContact O-N 3.24Å; C382-G384 PolarHBondContact O-N 3.33Å |
| 385 | K | 90.3 | Very high | 91.6 | Very high | 41 Ų | 41 | 18.2 Ų | 18.2 | 18% | 0.178 | 10% | 0.104 | C | C | . | . | trans | -72.6 | 134.7 | 172.4 | -67.8 | -174.1 | -176.3 | -85.5 | 0 | 109.9 | A380 E389 I390 M393 E420 F421 | A380-K385 HydrophobicContact CB-CB 4.37Å; A380-K385 HydrophobicContact CB-CD 4.18Å; A380-K385 WeakPolarHBondContact O-CB 3.08Å; A380-K385 PolarHBondContact O-N 3.32Å; K385-E389 WeakPolarHBondContact CA-OE2 3.1Å; K385-E389 HydrophobicContact CB-CB 4.34Å; K385-I390 HydrophobicContact CB-CD1 4.49Å; K385-I390 HydrophobicContact CB-CG1 4.02Å; K385-M393 HydrophobicContact CD-CE 3.38Å; K385-M393 VanDerWaalsContact CE-CE 3.49Å; K385-E420 WeakPolarHBondContact CE-O 3.36Å; K385-E420 PolarHBondContact NZ-O 2.81Å; K385-E420 IonicContact NZ-OE2 3.69Å; K385-F421 HydrophobicContact CD-CE1 4.28Å | ||
| 386 | S | 91.4 | Very high | 91.6 | Very high | 30 Ų | 30 | 19 Ų | 19 | 21% | 0.21 | 11% | 0.107 | C | C | . | . | trans | -70.9 | 155.4 | 175.1 | 78 | 0 | 0 | 0 | 0 | 111.1 | R388 E389 I390 | S386-R388 PolarHBondContact O-N 3.3Å; S386-R388 VanDerWaalsContact O-N 3.14Å; S386-R388 PolarHBondContact OG-N 3.33Å; S386-E389 PolarHBondContact N-OE2 3.03Å; S386-E389 WeakPolarHBondContact O-CA 3.27Å; S386-E389 WeakPolarHBondContact O-CB 3.44Å; S386-E389 PolarHBondContact O-N 2.9Å; S386-E389 WeakPolarHBondContact OG-CG 3.45Å; S386-E389 PolarHBondContact OG-N 2.82Å; S386-I390 WeakPolarHBondContact O-CG1 3.22Å; S386-I390 PolarHBondContact O-N 2.89Å | ||
| 387 | P | 91.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -51.7 | -35.9 | 172.9 | -30.4 | 40 | 0 | 0 | 0 | 113.4 | I342 L350 I351 E354 L381 I390 Q391 | I342-P387 WeakPolarHBondContact CG2-O 3.27Å; L350-P387 HydrophobicContact CB-CB 3.65Å; L350-P387 HydrophobicContact CB-CG 3.71Å; L350-P387 WeakPolarHBondContact O-CG 3.35Å; I351-P387 HydrophobicContact CB-CB 4.2Å; I351-P387 HydrophobicContact CG1-CB 3.39Å; E354-P387 HydrophobicContact CB-CG 4.33Å; E354-P387 WeakPolarHBondContact OE2-CD 3.22Å; L381-P387 HydrophobicContact CD2-CG 4.33Å; P387-I390 PolarHBondContact O-N 3.23Å; P387-Q391 WeakPolarHBondContact O-CB 3.49Å; P387-Q391 PolarHBondContact O-N 3.33Å |
| 388 | R | 89.7 | Confident | 91.3 | Very high | 39 Ų | 39 | 19 Ų | 19 | 15% | 0.147 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.4 | -39.5 | 174.9 | -177.2 | 61.5 | 65.2 | -176 | 7.3 | 112.8 | I241 F242 S386 Q391 R392 | I241-R388 PolarHBondContact O-NH1 2.85Å; F242-R388 VanDerWaalsContact C-NH1 3.29Å; F242-R388 VanDerWaalsContact CA-NH1 3.32Å; S386-R388 PolarHBondContact O-N 3.3Å; S386-R388 VanDerWaalsContact O-N 3.14Å; S386-R388 PolarHBondContact OG-N 3.33Å; R388-Q391 PolarHBondContact O-N 3.25Å; R388-R392 WeakPolarHBondContact O-CG 3.37Å; R388-R392 PolarHBondContact O-N 3.49Å; R388-R392 VanDerWaalsContact O-N 3.13Å |
| 389 | E | 91.1 | Very high | 91 | Very high | 75 Ų | 75 | 20.1 Ų | 20.1 | 35% | 0.35 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -67.7 | -38.3 | 175.7 | -68.4 | 179.5 | 115.2 | 0 | 0 | 111.8 | K385 S386 R392 M393 | K385-E389 WeakPolarHBondContact CA-OE2 3.1Å; K385-E389 HydrophobicContact CB-CB 4.34Å; S386-E389 PolarHBondContact N-OE2 3.03Å; S386-E389 WeakPolarHBondContact O-CA 3.27Å; S386-E389 WeakPolarHBondContact O-CB 3.44Å; S386-E389 PolarHBondContact O-N 2.9Å; S386-E389 WeakPolarHBondContact OG-CG 3.45Å; S386-E389 PolarHBondContact OG-N 2.82Å; E389-R392 PolarHBondContact O-N 3.46Å; E389-M393 WeakPolarHBondContact O-CB 3.21Å; E389-M393 PolarHBondContact O-N 2.85Å |
| 390 | I | 93.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.8 | -42.5 | 175.5 | -58.7 | 171.4 | 0 | 0 | 0 | 110.3 | I342 I377 A380 L381 K385 S386 P387 R392 M393 Y394 | I342-I390 HydrophobicContact CD1-CG2 3.61Å; I342-I390 HydrophobicContact CG1-CG2 4Å; I342-I390 HydrophobicContact CG2-CB 4.34Å; I342-I390 HydrophobicContact CG2-CG2 4.44Å; I377-I390 HydrophobicContact CG1-CG2 4.04Å; A380-I390 HydrophobicContact CB-CD1 3.66Å; A380-I390 HydrophobicContact CB-CG1 3.69Å; L381-I390 HydrophobicContact CD2-CD1 3.61Å; L381-I390 HydrophobicContact CG-CD1 3.7Å; K385-I390 HydrophobicContact CB-CD1 4.49Å; K385-I390 HydrophobicContact CB-CG1 4.02Å; S386-I390 WeakPolarHBondContact O-CG1 3.22Å; S386-I390 PolarHBondContact O-N 2.89Å; P387-I390 PolarHBondContact O-N 3.23Å; I390-R392 PolarHBondContact O-N 3.46Å; I390-M393 WeakPolarHBondContact O-CB 3.2Å; I390-M393 PolarHBondContact O-N 2.84Å; I390-M393 VanDerWaalsContact O-N 3.15Å; I390-Y394 HydrophobicContact CG2-CD2 3.96Å; I390-Y394 HydrophobicContact CG2-CE2 4Å; I390-Y394 WeakPolarHBondContact O-CD2 3.31Å; I390-Y394 PolarHBondContact O-N 3.4Å |
| 391 | Q | 92.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57 | -51.6 | 176 | -172.9 | -154.5 | 38.2 | 0 | 0 | 110.6 | I241 L339 I342 I351 P387 R388 M393 Y394 F395 | I241-Q391 PolarHBondContact O-NE2 2.88Å; L339-Q391 HydrophobicContact CD2-CG 4.31Å; I342-Q391 HydrophobicContact CG2-CB 3.67Å; I342-Q391 HydrophobicContact CG2-CG 4.46Å; I351-Q391 HydrophobicContact CD1-CB 4.49Å; P387-Q391 WeakPolarHBondContact O-CB 3.49Å; P387-Q391 PolarHBondContact O-N 3.33Å; R388-Q391 PolarHBondContact O-N 3.25Å; Q391-M393 VanDerWaalsContact C-N 3.29Å; Q391-M393 PolarHBondContact O-N 3.05Å; Q391-Y394 PolarHBondContact O-N 2.87Å; Q391-Y394 VanDerWaalsContact O-N 3.11Å; Q391-F395 HydrophobicContact CG-CD2 4.27Å; Q391-F395 HydrophobicContact CG-CE2 4.19Å; Q391-F395 WeakPolarHBondContact O-CD2 3.3Å; Q391-F395 PolarHBondContact O-N 2.97Å; Q391-F395 VanDerWaalsContact O-N 3.1Å |
| 392 | R | 91.9 | Very high | 89.7 | Confident | 50 Ų | 50 | 22.7 Ų | 22.7 | 19% | 0.189 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.9 | -42.5 | 176.4 | -76.7 | 176.6 | 176.1 | 166.3 | 0.8 | 111.6 | A208 F242 R388 E389 I390 Y394 F395 R396 | A208-R392 WeakPolarHBondContact O-CB 3.2Å; F242-R392 HydrophobicContact CD1-CG 4.44Å; F242-R392 HydrophobicContact CE1-CG 4.13Å; R388-R392 WeakPolarHBondContact O-CG 3.37Å; R388-R392 PolarHBondContact O-N 3.49Å; R388-R392 VanDerWaalsContact O-N 3.13Å; E389-R392 PolarHBondContact O-N 3.46Å; I390-R392 PolarHBondContact O-N 3.46Å; R392-Y394 VanDerWaalsContact C-N 3.35Å; R392-Y394 PolarHBondContact O-N 2.89Å; R392-F395 PolarHBondContact O-N 3.42Å; R392-R396 WeakPolarHBondContact O-CG 3.27Å; R392-R396 PolarHBondContact O-N 3.28Å; R392-R396 VanDerWaalsContact O-N 3.1Å |
| 393 | M | 91.5 | Very high | 89 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.3 | -45.2 | 174.7 | -177.3 | -166.2 | -57.4 | 0 | 0 | 111.5 | K385 E389 I390 Q391 F395 R396 F397 F416 E420 F421 | K385-M393 HydrophobicContact CD-CE 3.38Å; K385-M393 VanDerWaalsContact CE-CE 3.49Å; E389-M393 WeakPolarHBondContact O-CB 3.21Å; E389-M393 PolarHBondContact O-N 2.85Å; I390-M393 WeakPolarHBondContact O-CB 3.2Å; I390-M393 PolarHBondContact O-N 2.84Å; I390-M393 VanDerWaalsContact O-N 3.15Å; Q391-M393 VanDerWaalsContact C-N 3.29Å; Q391-M393 PolarHBondContact O-N 3.05Å; M393-F395 PolarHBondContact O-N 3.49Å; M393-R396 CarbonylContact O-C 3.57Å; M393-R396 WeakPolarHBondContact O-CA 3.46Å; M393-R396 WeakPolarHBondContact O-CB 3.18Å; M393-R396 PolarHBondContact O-N 2.99Å; M393-F397 WeakPolarHBondContact O-CB 3.45Å; M393-F397 PolarHBondContact O-N 3.28Å; M393-F416 HydrophobicContact CG-CE1 3.68Å; M393-F416 HydrophobicContact CG-CZ 3.78Å; M393-F416 HydrophobicContact SD-CE1 4.27Å; M393-E420 HydrophobicContact CE-CB 3.81Å; M393-E420 HydrophobicContact CE-CG 4.06Å; M393-E420 HydrophobicContact CG-CG 3.92Å; M393-E420 HydrophobicContact SD-CB 4.14Å; M393-E420 HydrophobicContact SD-CG 4.07Å; M393-F421 HydrophobicContact CE-CE1 3.83Å; M393-F421 HydrophobicContact CE-CZ 4.48Å; M393-F421 HydrophobicContact SD-CE1 4.29Å; M393-F421 HydrophobicContact SD-CZ 4.36Å |
| 394 | Y | 92.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.3 | -37.2 | 179.1 | -93.6 | -108.6 | 0 | 0 | 0 | 113.2 | L336 L339 I342 S373 I376 I377 I390 Q391 R392 R396 F397 K398 | L336-Y394 HydrophobicContact CD2-CD1 3.79Å; L336-Y394 HydrophobicContact CD2-CE1 4.39Å; L339-Y394 HydrophobicContact CD2-CG 4.32Å; L339-Y394 HydrophobicContact CG-CD1 4.35Å; I342-Y394 HydrophobicContact CD1-CD1 4.26Å; I342-Y394 HydrophobicContact CD1-CD2 3.57Å; I342-Y394 HydrophobicContact CD1-CE2 3.86Å; I342-Y394 HydrophobicContact CD1-CG 3.8Å; S373-Y394 VanDerWaalsContact CA-OH 3.31Å; S373-Y394 WeakPolarHBondContact CA-OH 3.37Å; S373-Y394 WeakPolarHBondContact CB-OH 3.36Å; S373-Y394 PolarHBondContact O-OH 3.13Å; I376-Y394 HydrophobicContact CG2-CE2 4.1Å; I377-Y394 HydrophobicContact CD1-CE2 4.38Å; I377-Y394 HydrophobicContact CG1-CE2 3.81Å; I390-Y394 HydrophobicContact CG2-CD2 3.96Å; I390-Y394 HydrophobicContact CG2-CE2 4Å; I390-Y394 WeakPolarHBondContact O-CD2 3.31Å; I390-Y394 PolarHBondContact O-N 3.4Å; Q391-Y394 PolarHBondContact O-N 2.87Å; Q391-Y394 VanDerWaalsContact O-N 3.11Å; R392-Y394 VanDerWaalsContact C-N 3.35Å; R392-Y394 PolarHBondContact O-N 2.89Å; Y394-R396 VanDerWaalsContact C-N 3.29Å; Y394-R396 PolarHBondContact O-N 3.24Å; Y394-F397 WeakPolarHBondContact O-CB 3.06Å; Y394-F397 PolarHBondContact O-N 3.16Å; Y394-K398 PolarHBondContact O-N 2.69Å; Y394-K398 VanDerWaalsContact O-N 3.07Å |
| 395 | F | 92 | Very high | 87.3 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.9 | -26.1 | 171.6 | -82.9 | -82.3 | 0 | 0 | 0 | 113.3 | T204 A208 F242 L339 Q391 R392 M393 K398 L618 | T204-F395 HydrophobicContact CG2-CD1 3.38Å; T204-F395 HydrophobicContact CG2-CE1 3.66Å; T204-F395 HydrophobicContact CG2-CG 4.23Å; A208-F395 HydrophobicContact CB-CB 3.57Å; F242-F395 HydrophobicContact CE1-CD2 4.08Å; F242-F395 HydrophobicContact CE1-CE2 4.44Å; F242-F395 HydrophobicContact CE2-CD2 4.36Å; F242-F395 HydrophobicContact CE2-CE2 4.18Å; F242-F395 HydrophobicContact CE2-CZ 4.29Å; F242-F395 HydrophobicContact CZ-CB 4.35Å; F242-F395 HydrophobicContact CZ-CD1 4.25Å; F242-F395 AromaticContact CZ-CD2 3.5Å; F242-F395 HydrophobicContact CZ-CD2 3.5Å; F242-F395 VanDerWaalsContact CZ-CD2 3.5Å; F242-F395 HydrophobicContact CZ-CE1 4.45Å; F242-F395 AromaticContact CZ-CE2 3.73Å; F242-F395 HydrophobicContact CZ-CE2 3.73Å; F242-F395 AromaticContact CZ-CG 3.79Å; F242-F395 HydrophobicContact CZ-CG 3.79Å; F242-F395 HydrophobicContact CZ-CZ 4.21Å; L339-F395 HydrophobicContact CD1-CE2 4.23Å; L339-F395 HydrophobicContact CD1-CZ 4.25Å; L339-F395 HydrophobicContact CD2-CD2 4.07Å; L339-F395 HydrophobicContact CD2-CE2 3.91Å; Q391-F395 HydrophobicContact CG-CD2 4.27Å; Q391-F395 HydrophobicContact CG-CE2 4.19Å; Q391-F395 WeakPolarHBondContact O-CD2 3.3Å; Q391-F395 PolarHBondContact O-N 2.97Å; Q391-F395 VanDerWaalsContact O-N 3.1Å; R392-F395 PolarHBondContact O-N 3.42Å; M393-F395 PolarHBondContact O-N 3.49Å; F395-K398 HydrophobicContact CD1-CD 4.29Å; F395-K398 WeakPolarHBondContact O-CG 3.17Å; F395-L618 HydrophobicContact CE1-CB 4.14Å; F395-L618 HydrophobicContact CZ-CB 4.47Å |
| 396 | R | 91 | Very high | 86.4 | Confident | 16 Ų | 16 | 39.2 Ų | 39.2 | 6% | 0.06 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -77.7 | -37.2 | 168.4 | -63 | -167.9 | -63.7 | -83.1 | 2.5 | 112 | A208 Y209 R392 M393 Y394 K398 D399 S400 F416 E420 | A208-R396 HydrophobicContact CB-CG 4.2Å; A208-R396 PolarHBondContact O-NH1 3.31Å; Y209-R396 HydrophobicContact CD2-CG 3.84Å; Y209-R396 HydrophobicContact CE1-CG 4.43Å; Y209-R396 HydrophobicContact CE2-CB 4.43Å; Y209-R396 HydrophobicContact CE2-CG 3.54Å; Y209-R396 HydrophobicContact CG-CG 4.47Å; Y209-R396 VanDerWaalsContact CZ-CD 3.48Å; R392-R396 WeakPolarHBondContact O-CG 3.27Å; R392-R396 PolarHBondContact O-N 3.28Å; R392-R396 VanDerWaalsContact O-N 3.1Å; M393-R396 CarbonylContact O-C 3.57Å; M393-R396 WeakPolarHBondContact O-CA 3.46Å; M393-R396 WeakPolarHBondContact O-CB 3.18Å; M393-R396 PolarHBondContact O-N 2.99Å; Y394-R396 VanDerWaalsContact C-N 3.29Å; Y394-R396 PolarHBondContact O-N 3.24Å; R396-K398 VanDerWaalsContact C-N 3.33Å; R396-K398 PolarHBondContact O-N 2.98Å; R396-D399 PolarHBondContact O-N 3.29Å; R396-S400 WeakPolarHBondContact O-CB 3.31Å; R396-S400 PolarHBondContact O-N 3.1Å; R396-S400 PolarHBondContact O-OG 3.2Å; R396-F416 HydrophobicContact CB-CE2 3.98Å; R396-F416 HydrophobicContact CB-CZ 4.11Å; R396-E420 IonicContact CZ-OE1 3.54Å; R396-E420 IonicContact NE-OE1 2.66Å; R396-E420 PolarHBondContact NE-OE1 3.34Å; R396-E420 VanDerWaalsContact NE-OE1 3.12Å; R396-E420 IonicContact NH2-OE1 2.62Å; R396-E420 PolarHBondContact NH2-OE1 2.95Å; R396-E420 IonicContact NH2-OE2 2.66Å; R396-E420 PolarHBondContact NH2-OE2 3.42Å |
| 397 | F | 89.1 | Confident | 85.5 | Confident | 9 Ų | 9 | 43.9 Ų | 43.9 | 4% | 0.039 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.1 | -44.7 | -178.6 | -176.2 | -88.3 | 0 | 0 | 0 | 110.8 | L336 I376 M393 Y394 D399 S400 V401 F402 L413 F416 | L336-F397 HydrophobicContact CD2-CD1 3.81Å; L336-F397 HydrophobicContact CD2-CE1 4.42Å; I376-F397 HydrophobicContact CD1-CE2 4.09Å; I376-F397 HydrophobicContact CD1-CZ 4.22Å; M393-F397 WeakPolarHBondContact O-CB 3.45Å; M393-F397 PolarHBondContact O-N 3.28Å; Y394-F397 WeakPolarHBondContact O-CB 3.06Å; Y394-F397 PolarHBondContact O-N 3.16Å; F397-D399 VanDerWaalsContact C-N 3.26Å; F397-D399 PolarHBondContact O-N 3.48Å; F397-S400 PolarHBondContact O-N 3.35Å; F397-V401 HydrophobicContact CD1-CB 4.34Å; F397-V401 HydrophobicContact CD1-CG2 4.34Å; F397-V401 HydrophobicContact CD2-CB 4.49Å; F397-V401 HydrophobicContact CD2-CG2 3.67Å; F397-V401 HydrophobicContact CE1-CB 4.21Å; F397-V401 HydrophobicContact CE1-CG1 4.27Å; F397-V401 HydrophobicContact CE1-CG2 4.36Å; F397-V401 HydrophobicContact CE2-CB 4.37Å; F397-V401 HydrophobicContact CE2-CG1 4.46Å; F397-V401 HydrophobicContact CE2-CG2 3.7Å; F397-V401 HydrophobicContact CG-CB 4.48Å; F397-V401 HydrophobicContact CG-CG2 4.01Å; F397-V401 HydrophobicContact CZ-CB 4.22Å; F397-V401 HydrophobicContact CZ-CG1 4.04Å; F397-V401 HydrophobicContact CZ-CG2 4.06Å; F397-V401 WeakPolarHBondContact O-CB 3.38Å; F397-V401 PolarHBondContact O-N 3.32Å; F397-F402 HydrophobicContact CD1-CD2 4.5Å; F397-F402 AromaticContact CD1-CE2 3.73Å; F397-F402 HydrophobicContact CD1-CE2 3.73Å; F397-F402 HydrophobicContact CD1-CZ 4.32Å; F397-F402 HydrophobicContact CE1-CD2 4.47Å; F397-F402 AromaticContact CE1-CE2 3.49Å; F397-F402 HydrophobicContact CE1-CE2 3.49Å; F397-F402 VanDerWaalsContact CE1-CE2 3.49Å; F397-F402 AromaticContact CE1-CZ 3.6Å; F397-F402 HydrophobicContact CE1-CZ 3.6Å; F397-L413 HydrophobicContact CD2-CD1 4.47Å; F397-L413 HydrophobicContact CE2-CD1 3.28Å; F397-L413 HydrophobicContact CZ-CD1 3.54Å; F397-F416 HydrophobicContact CB-CE1 4Å; F397-F416 HydrophobicContact CB-CE2 4.46Å; F397-F416 HydrophobicContact CB-CZ 3.85Å; F397-F416 AromaticContact CD2-CD1 3.65Å; F397-F416 HydrophobicContact CD2-CD1 3.65Å; F397-F416 AromaticContact CD2-CE1 3.57Å; F397-F416 HydrophobicContact CD2-CE1 3.57Å; F397-F416 HydrophobicContact CD2-CG 4.4Å; F397-F416 HydrophobicContact CD2-CZ 4.24Å; F397-F416 HydrophobicContact CE2-CD1 4.33Å; F397-F416 HydrophobicContact CG-CE1 4.28Å |
| 398 | K | 89.6 | Confident | 84.8 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.7 | -40 | 179.7 | 81.6 | -173.8 | 176.4 | 70.2 | 0 | 113.6 | L336 Y394 F395 R396 K613 D615 L618 | L336-K398 HydrophobicContact CD1-CB 3.3Å; L336-K398 HydrophobicContact CD2-CB 4.28Å; L336-K398 HydrophobicContact CG-CB 4.45Å; Y394-K398 PolarHBondContact O-N 2.69Å; Y394-K398 VanDerWaalsContact O-N 3.07Å; F395-K398 HydrophobicContact CD1-CD 4.29Å; F395-K398 WeakPolarHBondContact O-CG 3.17Å; R396-K398 VanDerWaalsContact C-N 3.33Å; R396-K398 PolarHBondContact O-N 2.98Å; K398-K613 PolarHBondContact NZ-O 2.97Å; K398-D615 WeakPolarHBondContact CE-OD1 3.31Å; K398-D615 IonicContact NZ-OD1 2.72Å; K398-D615 PolarHBondContact NZ-OD1 3.06Å; K398-D615 IonicContact NZ-OD2 3.86Å; K398-L618 HydrophobicContact CD-CD1 3.25Å; K398-L618 HydrophobicContact CG-CD1 4.46Å |
| 399 | D | 85.7 | Confident | 84.1 | Confident | 23 Ų | 23 | 48.6 Ų | 48.6 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -84.4 | -23.2 | -175.5 | -73.3 | -15.7 | 0 | 0 | 0 | 111.8 | L167 K205 R396 F397 N403 | L167-D399 HydrophobicContact CD1-CB 4.13Å; L167-D399 HydrophobicContact CD2-CB 4.06Å; K205-D399 WeakPolarHBondContact CE-OD2 3.48Å; K205-D399 IonicContact NZ-OD2 3.99Å; R396-D399 PolarHBondContact O-N 3.29Å; F397-D399 VanDerWaalsContact C-N 3.26Å; F397-D399 PolarHBondContact O-N 3.48Å; D399-N403 PolarHBondContact O-ND2 3.47Å |
| 400 | S | 84.5 | Confident | 83.3 | Confident | 30 Ų | 30 | 45.8 Ų | 45.8 | 21% | 0.21 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -95.9 | -41.1 | -174.3 | -52.5 | 0 | 0 | 0 | 0 | 112.3 | R396 F397 N403 V412 | R396-S400 WeakPolarHBondContact O-CB 3.31Å; R396-S400 PolarHBondContact O-N 3.1Å; R396-S400 PolarHBondContact O-OG 3.2Å; F397-S400 PolarHBondContact O-N 3.35Å; S400-N403 PolarHBondContact O-ND2 2.84Å; S400-V412 WeakPolarHBondContact O-CG1 3.48Å |
| 401 | V | 83.2 | Confident | 82.7 | Confident | 9 Ų | 9 | 50.9 Ų | 50.9 | 6% | 0.055 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -92.1 | -45.3 | -169.2 | 177.4 | 0 | 0 | 0 | 0 | 112.2 | F397 N403 L413 F416 | F397-V401 HydrophobicContact CD1-CB 4.34Å; F397-V401 HydrophobicContact CD1-CG2 4.34Å; F397-V401 HydrophobicContact CD2-CB 4.49Å; F397-V401 HydrophobicContact CD2-CG2 3.67Å; F397-V401 HydrophobicContact CE1-CB 4.21Å; F397-V401 HydrophobicContact CE1-CG1 4.27Å; F397-V401 HydrophobicContact CE1-CG2 4.36Å; F397-V401 HydrophobicContact CE2-CB 4.37Å; F397-V401 HydrophobicContact CE2-CG1 4.46Å; F397-V401 HydrophobicContact CE2-CG2 3.7Å; F397-V401 HydrophobicContact CG-CB 4.48Å; F397-V401 HydrophobicContact CG-CG2 4.01Å; F397-V401 HydrophobicContact CZ-CB 4.22Å; F397-V401 HydrophobicContact CZ-CG1 4.04Å; F397-V401 HydrophobicContact CZ-CG2 4.06Å; F397-V401 WeakPolarHBondContact O-CB 3.38Å; F397-V401 PolarHBondContact O-N 3.32Å; V401-N403 VanDerWaalsContact C-N 3.28Å; V401-N403 PolarHBondContact O-N 3.19Å; V401-L413 HydrophobicContact CG1-CB 3.99Å; V401-L413 HydrophobicContact CG1-CD1 4.15Å; V401-L413 HydrophobicContact CG2-CD1 4.29Å; V401-F416 HydrophobicContact CG2-CB 4.03Å; V401-F416 HydrophobicContact CG2-CD2 4.45Å; V401-F416 HydrophobicContact CG2-CG 4.07Å |
| 402 | F | 82.2 | Confident | 82.3 | Confident | 25 Ų | 25 | 53.6 Ų | 53.6 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -86.7 | 69.5 | -177.3 | -54.3 | -67.4 | 0 | 0 | 0 | 110.5 | L336 F397 Y408 D611 K613 | L336-F402 HydrophobicContact CD1-CD2 3.82Å; L336-F402 HydrophobicContact CD1-CE2 3.52Å; L336-F402 HydrophobicContact CD2-CE2 4.09Å; L336-F402 HydrophobicContact CG-CD2 4.38Å; L336-F402 HydrophobicContact CG-CE2 3.58Å; L336-F402 HydrophobicContact CG-CZ 4.34Å; F397-F402 HydrophobicContact CD1-CD2 4.5Å; F397-F402 AromaticContact CD1-CE2 3.73Å; F397-F402 HydrophobicContact CD1-CE2 3.73Å; F397-F402 HydrophobicContact CD1-CZ 4.32Å; F397-F402 HydrophobicContact CE1-CD2 4.47Å; F397-F402 AromaticContact CE1-CE2 3.49Å; F397-F402 HydrophobicContact CE1-CE2 3.49Å; F397-F402 VanDerWaalsContact CE1-CE2 3.49Å; F397-F402 AromaticContact CE1-CZ 3.6Å; F397-F402 HydrophobicContact CE1-CZ 3.6Å; F402-Y408 HydrophobicContact CB-CE1 4.2Å; F402-Y408 HydrophobicContact CB-CE2 4.41Å; F402-Y408 AromaticContact CD1-CD2 3.67Å; F402-Y408 HydrophobicContact CD1-CD2 3.67Å; F402-Y408 AromaticContact CD1-CE2 3.48Å; F402-Y408 HydrophobicContact CD1-CE2 3.48Å; F402-Y408 VanDerWaalsContact CD1-CE2 3.48Å; F402-Y408 HydrophobicContact CD1-CG 4.3Å; F402-Y408 AromaticContact CD1-CZ 3.98Å; F402-Y408 HydrophobicContact CE1-CD2 4.28Å; F402-Y408 HydrophobicContact CE1-CE2 4.21Å; F402-Y408 HydrophobicContact CG-CE2 4.38Å; F402-D611 HydrophobicContact CD1-CB 3.62Å; F402-D611 HydrophobicContact CD2-CB 4.3Å; F402-D611 HydrophobicContact CE1-CB 3.68Å; F402-D611 HydrophobicContact CE2-CB 4.4Å; F402-D611 HydrophobicContact CG-CB 3.93Å; F402-D611 HydrophobicContact CZ-CB 4.07Å; F402-K613 HydrophobicContact CB-CD 4.07Å; F402-K613 HydrophobicContact CB-CG 4.39Å; F402-K613 WeakPolarHBondContact O-CD 3.32Å; F402-K613 WeakPolarHBondContact O-CE 3.35Å; F402-K613 PolarHBondContact O-NZ 3.04Å |
| 403 | N | 76.5 | Confident | 81.9 | Confident | 96 Ų | 96 | 52.8 Ų | 52.8 | 51% | 0.513 | 28% | 0.284 | S | S | . | . | trans | -118.1 | 138.7 | 175.1 | -71.6 | -53.5 | 0 | 0 | 0 | 110.6 | D399 S400 V401 | D399-N403 PolarHBondContact O-ND2 3.47Å; S400-N403 PolarHBondContact O-ND2 2.84Å; V401-N403 VanDerWaalsContact C-N 3.28Å; V401-N403 PolarHBondContact O-N 3.19Å | ||
| 404 | G | 74.4 | Confident | 81.4 | Confident | 66 Ų | 66 | 54 Ų | 54 | 68% | 0.68 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 87.5 | -160 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 405 | E | 70 | Confident | 81.1 | Confident | 180 Ų | 180 | 58.5 Ų | 58.5 | 84% | 0.841 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -88.5 | 155 | -179.6 | -63.5 | -174.7 | 171 | 0 | 0 | 111.6 | P407 | E405-P407 CarbonylContact O-C 3.58Š|
| 406 | R | 71.6 | Confident | 80.8 | Confident | 171 Ų | 171 | 59.2 Ų | 59.2 | 65% | 0.645 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -79.4 | 142.8 | 173.5 | -64.8 | -172.7 | -172.1 | 169.8 | 8.8 | 110.1 | Y408 D611 | R406-Y408 HydrophobicContact CG-CD2 4.2Å; R406-Y408 HydrophobicContact CG-CE1 4.21Å; R406-Y408 HydrophobicContact CG-CE2 3.64Å; R406-D611 IonicContact CZ-OD1 3.51Å; R406-D611 IonicContact CZ-OD2 3.55Å; R406-D611 IonicContact NE-OD2 2.69Å; R406-D611 PolarHBondContact NE-OD2 3.19Å; R406-D611 IonicContact NH2-OD1 2.84Å; R406-D611 PolarHBondContact NH2-OD1 3.45Å; R406-D611 IonicContact NH2-OD2 2.82Å; R406-D611 PolarHBondContact NH2-OD2 3.43Å |
| 407 | P | 72.6 | Confident | 80.7 | Confident | 129 Ų | 129 | 58.5 Ų | 58.5 | 84% | 0.838 | 31% | 0.314 | S | S | * | . | S | Bend | cis | -72.8 | 140.1 | -2.1 | 30.4 | -34.5 | 0 | 0 | 0 | 112.3 | E405 | E405-P407 CarbonylContact O-C 3.58Š|
| 408 | Y | 76.1 | Confident | 80.6 | Confident | 56 Ų | 56 | 63.5 Ų | 63.5 | 22% | 0.22 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 150.7 | 179.9 | -59.2 | -67.7 | 0 | 0 | 0 | 111.6 | F402 R406 G410 D611 | F402-Y408 HydrophobicContact CB-CE1 4.2Å; F402-Y408 HydrophobicContact CB-CE2 4.41Å; F402-Y408 AromaticContact CD1-CD2 3.67Å; F402-Y408 HydrophobicContact CD1-CD2 3.67Å; F402-Y408 AromaticContact CD1-CE2 3.48Å; F402-Y408 HydrophobicContact CD1-CE2 3.48Å; F402-Y408 VanDerWaalsContact CD1-CE2 3.48Å; F402-Y408 HydrophobicContact CD1-CG 4.3Å; F402-Y408 AromaticContact CD1-CZ 3.98Å; F402-Y408 HydrophobicContact CE1-CD2 4.28Å; F402-Y408 HydrophobicContact CE1-CE2 4.21Å; F402-Y408 HydrophobicContact CG-CE2 4.38Å; R406-Y408 HydrophobicContact CG-CD2 4.2Å; R406-Y408 HydrophobicContact CG-CE1 4.21Å; R406-Y408 HydrophobicContact CG-CE2 3.64Å; Y408-G410 PolarHBondContact O-N 2.99Å; Y408-D611 HydrophobicContact CE2-CB 4.17Å; Y408-D611 WeakPolarHBondContact CE2-OD2 3.45Å; Y408-D611 PolarHBondContact OH-OD2 2.94Å |
| 409 | N | 74.3 | Confident | 80.4 | Confident | 82 Ų | 82 | 70 Ų | 70 | 44% | 0.439 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 117.5 | 178.7 | -176.1 | -6.3 | 0 | 0 | 0 | 111.1 | E411 V412 | N409-E411 VanDerWaalsContact C-N 3.27Å; N409-E411 PolarHBondContact O-N 3.04Å; N409-E411 WeakPolarHBondContact OD1-CB 3.32Å; N409-E411 WeakPolarHBondContact OD1-CG 3.19Å; N409-E411 PolarHBondContact OD1-N 3.37Å; N409-V412 HydrophobicContact CB-CG2 4Å; N409-V412 PolarHBondContact O-N 3.09Å |
| 410 | G | 75.2 | Confident | 80.6 | Confident | 15 Ų | 15 | 70.3 Ų | 70.3 | 16% | 0.155 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.6 | -31.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y408 V412 L413 E414 F477 | Y408-G410 PolarHBondContact O-N 2.99Å; G410-V412 PolarHBondContact O-N 3.32Å; G410-L413 WeakPolarHBondContact O-CB 3.46Å; G410-L413 PolarHBondContact O-N 3.04Å; G410-L413 VanDerWaalsContact O-N 3.13Å; G410-E414 PolarHBondContact O-N 3.13Å; G410-F477 CarbonylContact C-O 3.57Å; G410-F477 VanDerWaalsContact O-O 3.1Å |
| 411 | E | 81.3 | Confident | 80.7 | Confident | 108 Ų | 108 | 69.2 Ų | 69.2 | 51% | 0.505 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.8 | -30.3 | 177.8 | -61.9 | 177.6 | 164.4 | 0 | 0 | 112.3 | N409 N415 | N409-E411 VanDerWaalsContact C-N 3.27Å; N409-E411 PolarHBondContact O-N 3.04Å; N409-E411 WeakPolarHBondContact OD1-CB 3.32Å; N409-E411 WeakPolarHBondContact OD1-CG 3.19Å; N409-E411 PolarHBondContact OD1-N 3.37Å; E411-N415 VanDerWaalsContact O-CB 3.31Å; E411-N415 WeakPolarHBondContact O-CB 3.26Å; E411-N415 PolarHBondContact O-N 3.42Å; E411-N415 PolarHBondContact O-ND2 3.09Å |
| 412 | V | 83.8 | Confident | 80.8 | Confident | 56 Ų | 56 | 70.7 Ų | 70.7 | 34% | 0.339 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -70.8 | -42.5 | 178.2 | -178.9 | 0 | 0 | 0 | 0 | 110.4 | S400 N409 G410 F416 | S400-V412 WeakPolarHBondContact O-CG1 3.48Å; N409-V412 HydrophobicContact CB-CG2 4Å; N409-V412 PolarHBondContact O-N 3.09Å; G410-V412 PolarHBondContact O-N 3.32Å; V412-F416 WeakPolarHBondContact O-CB 3.4Å; V412-F416 PolarHBondContact O-N 3.47Å |
| 413 | L | 83.4 | Confident | 80.7 | Confident | 34 Ų | 34 | 75.1 Ų | 75.1 | 18% | 0.178 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.5 | -47.3 | 173 | 172.3 | 59.5 | 0 | 0 | 0 | 110.5 | F397 V401 G410 F416 L417 F477 | F397-L413 HydrophobicContact CD2-CD1 4.47Å; F397-L413 HydrophobicContact CE2-CD1 3.28Å; F397-L413 HydrophobicContact CZ-CD1 3.54Å; V401-L413 HydrophobicContact CG1-CB 3.99Å; V401-L413 HydrophobicContact CG1-CD1 4.15Å; V401-L413 HydrophobicContact CG2-CD1 4.29Å; G410-L413 WeakPolarHBondContact O-CB 3.46Å; G410-L413 PolarHBondContact O-N 3.04Å; G410-L413 VanDerWaalsContact O-N 3.13Å; L413-F416 WeakPolarHBondContact O-CB 3.46Å; L413-F416 PolarHBondContact O-N 3.26Å; L413-L417 HydrophobicContact CD1-CD1 3.8Å; L413-L417 HydrophobicContact CD1-CG 4.03Å; L413-L417 HydrophobicContact CG-CD1 4.04Å; L413-L417 WeakPolarHBondContact O-CG 3.49Å; L413-L417 PolarHBondContact O-N 3.2Å; L413-F477 HydrophobicContact CD2-CB 3.59Å; L413-F477 HydrophobicContact CD2-CD2 4.36Å; L413-F477 HydrophobicContact CD2-CG 3.97Å; L413-F477 HydrophobicContact CG-CB 4.06Å |
| 414 | E | 80.5 | Confident | 80.8 | Confident | 26 Ų | 26 | 73.5 Ų | 73.5 | 12% | 0.121 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.7 | -49.3 | 179.2 | 179.7 | 170.3 | -162.5 | 0 | 0 | 112.1 | G410 F416 L417 R418 T475 Y476 | G410-E414 PolarHBondContact O-N 3.13Å; E414-F416 VanDerWaalsContact C-N 3.28Å; E414-F416 PolarHBondContact O-N 3.37Å; E414-L417 PolarHBondContact O-N 3.35Å; E414-R418 HydrophobicContact CG-CG 4.28Å; E414-R418 WeakPolarHBondContact O-CB 3.5Å; E414-R418 WeakPolarHBondContact O-CG 3.3Å; E414-R418 PolarHBondContact O-N 2.92Å; E414-R418 IonicContact OE1-CZ 2.71Å; E414-R418 IonicContact OE1-NE 2.66Å; E414-R418 PolarHBondContact OE1-NE 3.14Å; E414-R418 IonicContact OE1-NH2 3.03Å; E414-R418 PolarHBondContact OE1-NH2 3.39Å; E414-T475 VanDerWaalsContact OE1-CG2 3.27Å; E414-T475 WeakPolarHBondContact OE1-CG2 3.46Å; E414-Y476 WeakPolarHBondContact CA-O 3.36Å; E414-Y476 WeakPolarHBondContact CB-O 3.41Å; E414-Y476 VanDerWaalsContact CG-O 3.27Å; E414-Y476 WeakPolarHBondContact CG-O 3.19Å |
| 415 | N | 85.5 | Confident | 81 | Confident | 94 Ų | 94 | 72 Ų | 72 | 50% | 0.503 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.9 | -37.2 | 178.7 | -74.9 | -37.2 | 0 | 0 | 0 | 112.1 | E411 K419 | E411-N415 VanDerWaalsContact O-CB 3.31Å; E411-N415 WeakPolarHBondContact O-CB 3.26Å; E411-N415 PolarHBondContact O-N 3.42Å; E411-N415 PolarHBondContact O-ND2 3.09Å; N415-K419 WeakPolarHBondContact O-CB 3.48Å; N415-K419 PolarHBondContact O-N 3.48Å |
| 416 | F | 87.1 | Confident | 81.3 | Confident | 18 Ų | 18 | 63.7 Ų | 63.7 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.9 | -49.1 | 174.3 | -177 | -84.9 | 0 | 0 | 0 | 111.5 | M393 R396 F397 V401 V412 L413 E414 K419 E420 | M393-F416 HydrophobicContact CG-CE1 3.68Å; M393-F416 HydrophobicContact CG-CZ 3.78Å; M393-F416 HydrophobicContact SD-CE1 4.27Å; R396-F416 HydrophobicContact CB-CE2 3.98Å; R396-F416 HydrophobicContact CB-CZ 4.11Å; F397-F416 HydrophobicContact CB-CE1 4Å; F397-F416 HydrophobicContact CB-CE2 4.46Å; F397-F416 HydrophobicContact CB-CZ 3.85Å; F397-F416 AromaticContact CD2-CD1 3.65Å; F397-F416 HydrophobicContact CD2-CD1 3.65Å; F397-F416 AromaticContact CD2-CE1 3.57Å; F397-F416 HydrophobicContact CD2-CE1 3.57Å; F397-F416 HydrophobicContact CD2-CG 4.4Å; F397-F416 HydrophobicContact CD2-CZ 4.24Å; F397-F416 HydrophobicContact CE2-CD1 4.33Å; F397-F416 HydrophobicContact CG-CE1 4.28Å; V401-F416 HydrophobicContact CG2-CB 4.03Å; V401-F416 HydrophobicContact CG2-CD2 4.45Å; V401-F416 HydrophobicContact CG2-CG 4.07Å; V412-F416 WeakPolarHBondContact O-CB 3.4Å; V412-F416 PolarHBondContact O-N 3.47Å; L413-F416 WeakPolarHBondContact O-CB 3.46Å; L413-F416 PolarHBondContact O-N 3.26Å; E414-F416 VanDerWaalsContact C-N 3.28Å; E414-F416 PolarHBondContact O-N 3.37Å; F416-K419 WeakPolarHBondContact O-CB 3.49Å; F416-K419 PolarHBondContact O-N 2.88Å; F416-E420 HydrophobicContact CD1-CG 4.13Å; F416-E420 HydrophobicContact CE1-CG 3.67Å; F416-E420 HydrophobicContact CZ-CG 3.94Å; F416-E420 WeakPolarHBondContact O-CG 3.32Å; F416-E420 PolarHBondContact O-N 3.11Å |
| 417 | L | 88.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.5 | -39.8 | -179.5 | -64.5 | 173.9 | 0 | 0 | 0 | 111.9 | I376 L413 E414 K419 E420 F421 Y476 F477 | I376-L417 HydrophobicContact CD1-CD2 4.28Å; I376-L417 HydrophobicContact CG1-CD2 4.34Å; I376-L417 HydrophobicContact CG2-CD2 4.09Å; L413-L417 HydrophobicContact CD1-CD1 3.8Å; L413-L417 HydrophobicContact CD1-CG 4.03Å; L413-L417 HydrophobicContact CG-CD1 4.04Å; L413-L417 WeakPolarHBondContact O-CG 3.49Å; L413-L417 PolarHBondContact O-N 3.2Å; E414-L417 PolarHBondContact O-N 3.35Å; L417-K419 VanDerWaalsContact C-N 3.31Å; L417-K419 PolarHBondContact O-N 3.34Å; L417-E420 PolarHBondContact O-N 2.92Å; L417-F421 HydrophobicContact CB-CD2 4.24Å; L417-F421 HydrophobicContact CB-CE2 4.42Å; L417-F421 HydrophobicContact CD2-CD2 4.38Å; L417-F421 HydrophobicContact CD2-CE2 3.74Å; L417-F421 HydrophobicContact CD2-CZ 4.33Å; L417-F421 WeakPolarHBondContact O-CB 3.49Å; L417-F421 PolarHBondContact O-N 3.28Å; L417-Y476 HydrophobicContact CB-CD1 4.42Å; L417-Y476 HydrophobicContact CB-CG 4.38Å; L417-Y476 HydrophobicContact CD1-CD1 4.29Å; L417-F477 HydrophobicContact CD1-CD2 3.44Å; L417-F477 VanDerWaalsContact CD1-CD2 3.44Å; L417-F477 HydrophobicContact CD1-CE2 3.86Å |
| 418 | R | 86.2 | Confident | 82 | Confident | 115 Ų | 115 | 55.3 Ų | 55.3 | 43% | 0.434 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.1 | -39.4 | 172.4 | -73.6 | 177.8 | -179.9 | -163 | 2.5 | 111.8 | E414 G422 T475 | E414-R418 HydrophobicContact CG-CG 4.28Å; E414-R418 WeakPolarHBondContact O-CB 3.5Å; E414-R418 WeakPolarHBondContact O-CG 3.3Å; E414-R418 PolarHBondContact O-N 2.92Å; E414-R418 IonicContact OE1-CZ 2.71Å; E414-R418 IonicContact OE1-NE 2.66Å; E414-R418 PolarHBondContact OE1-NE 3.14Å; E414-R418 IonicContact OE1-NH2 3.03Å; E414-R418 PolarHBondContact OE1-NH2 3.39Å; R418-G422 WeakPolarHBondContact O-CA 3.43Å; R418-G422 PolarHBondContact O-N 2.85Å; R418-T475 VanDerWaalsContact NH2-CG2 3.28Å |
| 419 | K | 87 | Confident | 82.5 | Confident | 137 Ų | 137 | 52.8 Ų | 52.8 | 60% | 0.596 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -65.7 | -39.8 | 175.7 | -174.9 | 177.7 | -179.3 | 175.2 | 0 | 112 | T171 N415 F416 L417 | T171-K419 PolarHBondContact O-NZ 3.21Å; N415-K419 WeakPolarHBondContact O-CB 3.48Å; N415-K419 PolarHBondContact O-N 3.48Å; F416-K419 WeakPolarHBondContact O-CB 3.49Å; F416-K419 PolarHBondContact O-N 2.88Å; L417-K419 VanDerWaalsContact C-N 3.31Å; L417-K419 PolarHBondContact O-N 3.34Å |
| 420 | E | 88 | Confident | 83 | Confident | 29 Ų | 29 | 59.7 Ų | 59.7 | 14% | 0.136 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -81.9 | -33.3 | -175.6 | -70.8 | -67.2 | 162.1 | 0 | 0 | 114.2 | K385 M393 R396 F416 L417 | K385-E420 WeakPolarHBondContact CE-O 3.36Å; K385-E420 PolarHBondContact NZ-O 2.81Å; K385-E420 IonicContact NZ-OE2 3.69Å; M393-E420 HydrophobicContact CE-CB 3.81Å; M393-E420 HydrophobicContact CE-CG 4.06Å; M393-E420 HydrophobicContact CG-CG 3.92Å; M393-E420 HydrophobicContact SD-CB 4.14Å; M393-E420 HydrophobicContact SD-CG 4.07Å; R396-E420 IonicContact CZ-OE1 3.54Å; R396-E420 IonicContact NE-OE1 2.66Å; R396-E420 PolarHBondContact NE-OE1 3.34Å; R396-E420 VanDerWaalsContact NE-OE1 3.12Å; R396-E420 IonicContact NH2-OE1 2.62Å; R396-E420 PolarHBondContact NH2-OE1 2.95Å; R396-E420 IonicContact NH2-OE2 2.66Å; R396-E420 PolarHBondContact NH2-OE2 3.42Å; F416-E420 HydrophobicContact CD1-CG 4.13Å; F416-E420 HydrophobicContact CE1-CG 3.67Å; F416-E420 HydrophobicContact CZ-CG 3.94Å; F416-E420 WeakPolarHBondContact O-CG 3.32Å; F416-E420 PolarHBondContact O-N 3.11Å; L417-E420 PolarHBondContact O-N 2.92Å |
| 421 | F | 87.9 | Confident | 83.4 | Confident | 8 Ų | 8 | 63.8 Ų | 63.8 | 4% | 0.035 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -106 | -11.1 | -176.7 | -57.6 | -33.9 | 0 | 0 | 0 | 113.8 | I376 I379 A380 L383 K385 M393 L417 N424 Y476 | I376-F421 HydrophobicContact CG2-CZ 4.12Å; I379-F421 HydrophobicContact CG2-CD2 4.23Å; I379-F421 HydrophobicContact CG2-CE2 3.99Å; I379-F421 HydrophobicContact CG2-CZ 4.26Å; A380-F421 HydrophobicContact CB-CE1 3.71Å; A380-F421 HydrophobicContact CB-CZ 4Å; L383-F421 HydrophobicContact CD1-CB 3.82Å; L383-F421 HydrophobicContact CD1-CD1 3.74Å; L383-F421 HydrophobicContact CD1-CE1 4.45Å; L383-F421 HydrophobicContact CD1-CG 3.82Å; K385-F421 HydrophobicContact CD-CE1 4.28Å; M393-F421 HydrophobicContact CE-CE1 3.83Å; M393-F421 HydrophobicContact CE-CZ 4.48Å; M393-F421 HydrophobicContact SD-CE1 4.29Å; M393-F421 HydrophobicContact SD-CZ 4.36Å; L417-F421 HydrophobicContact CB-CD2 4.24Å; L417-F421 HydrophobicContact CB-CE2 4.42Å; L417-F421 HydrophobicContact CD2-CD2 4.38Å; L417-F421 HydrophobicContact CD2-CE2 3.74Å; L417-F421 HydrophobicContact CD2-CZ 4.33Å; L417-F421 WeakPolarHBondContact O-CB 3.49Å; L417-F421 PolarHBondContact O-N 3.28Å; F421-N424 WeakPolarHBondContact O-CB 3.34Å; F421-N424 PolarHBondContact O-ND2 2.84Å; F421-Y476 HydrophobicContact CD2-CD1 4.31Å; F421-Y476 AromaticContact CD2-CE1 3.99Å; F421-Y476 HydrophobicContact CD2-CE1 3.99Å; F421-Y476 HydrophobicContact CE2-CE1 4.36Å |
| 422 | G | 85.1 | Confident | 83.8 | Confident | 39 Ų | 39 | 59.2 Ų | 59.2 | 40% | 0.402 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | -150.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R418 N424 | R418-G422 WeakPolarHBondContact O-CA 3.43Å; R418-G422 PolarHBondContact O-N 2.85Å; G422-N424 PolarHBondContact O-N 3.47Å |
| 423 | S | 80.3 | Confident | 84.2 | Confident | 118 Ų | 118 | 59 Ų | 59 | 83% | 0.825 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 12.1 | 175.3 | 60.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 424 | N | 78.6 | Confident | 84.8 | Confident | 63 Ų | 63 | 57.3 Ų | 57.3 | 34% | 0.337 | 29% | 0.293 | S | S | . | . | trans | -68.5 | 142.2 | 179.1 | -69.8 | -53.4 | 0 | 0 | 0 | 110.4 | L383 F421 G422 Y476 | L383-N424 HydrophobicContact CD1-CB 4.44Å; L383-N424 HydrophobicContact CD2-CB 4Å; F421-N424 WeakPolarHBondContact O-CB 3.34Å; F421-N424 PolarHBondContact O-ND2 2.84Å; G422-N424 PolarHBondContact O-N 3.47Å; N424-Y476 WeakPolarHBondContact O-CE2 3.5Å; N424-Y476 PolarHBondContact O-OH 3.35Å | ||
| 425 | T | 77.3 | Confident | 85.4 | Confident | 34 Ų | 34 | 56.1 Ų | 56.1 | 21% | 0.209 | 29% | 0.288 | C | S | . | . | trans | -118 | 166.5 | 177.2 | 72.5 | 0 | 0 | 0 | 0 | 109.2 | A427 N428 A473 | T425-A427 PolarHBondContact O-N 3.4Å; T425-A427 VanDerWaalsContact O-N 3.1Å; T425-A427 WeakPolarHBondContact OG1-CB 3.31Å; T425-A427 PolarHBondContact OG1-N 2.69Å; T425-N428 PolarHBondContact N-OD1 2.83Å; T425-N428 VanDerWaalsContact O-CB 3.3Å; T425-N428 WeakPolarHBondContact O-CB 3.2Å; T425-N428 PolarHBondContact O-N 3.46Å; T425-N428 PolarHBondContact O-OD1 3.1Å; T425-N428 PolarHBondContact OG1-OD1 3.26Å; T425-A473 HydrophobicContact CG2-CB 3.49Å; T425-A473 VanDerWaalsContact CG2-CB 3.49Å | ||
| 426 | M | 77.9 | Confident | 85.8 | Confident | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.03 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -56.2 | -26.2 | 171.9 | -83.1 | -167 | 76.8 | 0 | 0 | 113.2 | N428 I429 L434 V436 F451 S453 P471 P474 | M426-N428 PolarHBondContact O-N 3.16Å; M426-I429 WeakPolarHBondContact O-CB 3.33Å; M426-I429 PolarHBondContact O-N 3.23Å; M426-I429 VanDerWaalsContact O-N 3.16Å; M426-L434 HydrophobicContact CE-CB 4.3Å; M426-L434 HydrophobicContact CE-CD2 3.86Å; M426-L434 HydrophobicContact CE-CG 3.94Å; M426-V436 HydrophobicContact CE-CG2 4.09Å; M426-V436 HydrophobicContact SD-CB 4.42Å; M426-V436 HydrophobicContact SD-CG2 4.07Å; M426-F451 HydrophobicContact SD-CB 3.83Å; M426-S453 WeakPolarHBondContact O-CB 3.35Å; M426-P471 HydrophobicContact CB-CB 4.32Å; M426-P474 HydrophobicContact SD-CG 4.48Å |
| 427 | A | 77.2 | Confident | 86 | Confident | 37 Ų | 37 | 51.3 Ų | 51.3 | 31% | 0.306 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -68 | -18.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T425 I429 P471 | T425-A427 PolarHBondContact O-N 3.4Å; T425-A427 VanDerWaalsContact O-N 3.1Å; T425-A427 WeakPolarHBondContact OG1-CB 3.31Å; T425-A427 PolarHBondContact OG1-N 2.69Å; A427-I429 VanDerWaalsContact C-N 3.28Å; A427-P471 HydrophobicContact CB-CB 3.93Å; A427-P471 HydrophobicContact CB-CG 3.97Å |
| 428 | N | 82 | Confident | 86.1 | Confident | 86 Ų | 86 | 51.9 Ų | 51.9 | 46% | 0.46 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -76 | -18.8 | 175.1 | -63.1 | 78.9 | 0 | 0 | 0 | 111.9 | T425 M426 R430 | T425-N428 PolarHBondContact N-OD1 2.83Å; T425-N428 VanDerWaalsContact O-CB 3.3Å; T425-N428 WeakPolarHBondContact O-CB 3.2Å; T425-N428 PolarHBondContact O-N 3.46Å; T425-N428 PolarHBondContact O-OD1 3.1Å; T425-N428 PolarHBondContact OG1-OD1 3.26Å; M426-N428 PolarHBondContact O-N 3.16Å; N428-R430 PolarHBondContact O-N 3.37Å; N428-R430 VanDerWaalsContact O-N 3.15Å |
| 429 | I | 86.3 | Confident | 86.1 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | trans | -82.2 | 93.2 | -179.8 | -58.1 | 169.9 | 0 | 0 | 0 | 109 | C382 L383 M426 A427 L434 S453 | C382-I429 HydrophobicContact CB-CB 4.42Å; C382-I429 HydrophobicContact CB-CD1 3.59Å; C382-I429 HydrophobicContact CB-CG1 3.84Å; C382-I429 HydrophobicContact CB-CG2 3.71Å; L383-I429 HydrophobicContact CD2-CG1 4.37Å; M426-I429 WeakPolarHBondContact O-CB 3.33Å; M426-I429 PolarHBondContact O-N 3.23Å; M426-I429 VanDerWaalsContact O-N 3.16Å; A427-I429 VanDerWaalsContact C-N 3.28Å; I429-L434 HydrophobicContact CD1-CD2 3.53Å; I429-L434 HydrophobicContact CG2-CB 4.4Å; I429-S453 WeakPolarHBondContact O-CB 3.3Å | ||
| 430 | R | 83.4 | Confident | 86.1 | Confident | 226 Ų | 226 | 41.8 Ų | 41.8 | 85% | 0.853 | 23% | 0.226 | S | C | * | . | trans | -105.5 | -23.4 | -176 | -63.5 | -175.4 | -179.1 | -178.5 | 0.9 | 114.6 | N428 K432 | N428-R430 PolarHBondContact O-N 3.37Å; N428-R430 VanDerWaalsContact O-N 3.15Å; R430-K432 VanDerWaalsContact C-N 3.31Å | ||
| 431 | N | 84.1 | Confident | 85.8 | Confident | 102 Ų | 102 | 41.4 Ų | 41.4 | 55% | 0.545 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -75.1 | -20.2 | -176.8 | 59.2 | -23.9 | 0 | 0 | 0 | 113.2 | ||
| 432 | K | 89.5 | Confident | 85.6 | Confident | 12 Ų | 12 | 43.7 Ų | 43.7 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -141.3 | 150.7 | -175.3 | -59.1 | 179.4 | -162 | -65.9 | 0 | 110.6 | L362 D363 F365 M368 R430 L434 S453 | L362-K432 VanDerWaalsContact C-NZ 3.33Å; L362-K432 HydrophobicContact CD2-CD 4.25Å; L362-K432 HydrophobicContact CG-CD 4.2Å; L362-K432 PolarHBondContact O-NZ 2.85Å; D363-K432 VanDerWaalsContact CA-NZ 3.34Å; D363-K432 IonicContact OD1-NZ 3.38Å; D363-K432 PolarHBondContact OD1-NZ 3.08Å; F365-K432 PolarHBondContact O-NZ 3.35Å; M368-K432 HydrophobicContact CE-CB 4.07Å; M368-K432 HydrophobicContact CE-CD 3.43Å; M368-K432 VanDerWaalsContact CE-CD 3.43Å; M368-K432 HydrophobicContact CE-CG 4.34Å; M368-K432 HydrophobicContact SD-CD 4.12Å; R430-K432 VanDerWaalsContact C-N 3.31Å; K432-L434 PolarHBondContact O-N 3.06Å; K432-S453 PolarHBondContact O-OG 3.48Å |
| 433 | K | 93.2 | Very high | 85.6 | Confident | 50 Ų | 50 | 43.8 Ų | 43.8 | 22% | 0.217 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 98.5 | 173.8 | -68 | -177.7 | 178.7 | 69.3 | 0 | 108.4 | N366 W367 M368 Y454 F505 | N366-K433 PolarHBondContact O-N 2.99Å; W367-K433 WeakPolarHBondContact CA-O 3.35Å; W367-K433 HydrophobicContact CD2-CB 3.79Å; W367-K433 HydrophobicContact CD2-CD 3.93Å; W367-K433 HydrophobicContact CD2-CG 4.48Å; W367-K433 VanDerWaalsContact CE2-CD 3.46Å; W367-K433 HydrophobicContact CE3-CB 3.63Å; W367-K433 HydrophobicContact CE3-CD 4.1Å; W367-K433 HydrophobicContact CG-CB 4.41Å; W367-K433 HydrophobicContact CH2-CB 4.38Å; W367-K433 HydrophobicContact CH2-CD 3.42Å; W367-K433 VanDerWaalsContact CH2-CD 3.42Å; W367-K433 HydrophobicContact CZ2-CD 3.2Å; W367-K433 HydrophobicContact CZ2-CG 4.46Å; W367-K433 HydrophobicContact CZ3-CB 3.95Å; W367-K433 HydrophobicContact CZ3-CD 3.87Å; M368-K433 PolarHBondContact N-O 3.23Å; K433-Y454 HydrophobicContact CB-CD1 3.58Å; K433-Y454 HydrophobicContact CB-CE1 3.93Å; K433-Y454 HydrophobicContact CB-CG 4.05Å; K433-Y454 HydrophobicContact CD-CD1 4.38Å; K433-Y454 HydrophobicContact CD-CD2 4.08Å; K433-Y454 HydrophobicContact CD-CE2 4.4Å; K433-Y454 HydrophobicContact CD-CG 4.09Å; K433-Y454 HydrophobicContact CG-CD1 3.87Å; K433-Y454 HydrophobicContact CG-CD2 4.29Å; K433-Y454 HydrophobicContact CG-CE1 4.48Å; K433-Y454 HydrophobicContact CG-CG 3.78Å; K433-F505 HydrophobicContact CD-CD2 4.46Å; K433-F505 HydrophobicContact CD-CE2 4.38Å; K433-F505 VanDerWaalsContact CE-CZ 3.42Å |
| 434 | L | 94.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 139 | -179.1 | 176.7 | 67.4 | 0 | 0 | 0 | 110.7 | M368 A378 I379 M426 I429 K432 V436 R452 S453 | M368-L434 HydrophobicContact CB-CD1 3.91Å; M368-L434 CarbonylContact O-C 3.57Å; M368-L434 WeakPolarHBondContact O-CA 3.39Å; A378-L434 HydrophobicContact CB-CD1 3.65Å; I379-L434 HydrophobicContact CG1-CD2 3.68Å; M426-L434 HydrophobicContact CE-CB 4.3Å; M426-L434 HydrophobicContact CE-CD2 3.86Å; M426-L434 HydrophobicContact CE-CG 3.94Å; I429-L434 HydrophobicContact CD1-CD2 3.53Å; I429-L434 HydrophobicContact CG2-CB 4.4Å; K432-L434 PolarHBondContact O-N 3.06Å; L434-V436 HydrophobicContact CD2-CG2 4.42Å; L434-V436 HydrophobicContact CG-CG2 4.45Å; L434-R452 WeakPolarHBondContact O-CA 3.29Å; L434-S453 PolarHBondContact N-OG 3.33Å; L434-S453 PolarHBondContact O-N 2.87Å |
| 435 | I | 93.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 133.9 | 175.3 | -49.1 | -174 | 0 | 0 | 0 | 109.8 | W367 M368 A369 G370 L450 F451 Y454 L498 E501 | W367-I435 HydrophobicContact CZ3-CD1 4.46Å; M368-I435 PolarHBondContact O-N 3.48Å; A369-I435 CarbonylContact C-O 3.33Å; A369-I435 VanDerWaalsContact CA-O 3.24Å; A369-I435 WeakPolarHBondContact CA-O 3.5Å; A369-I435 HydrophobicContact CB-CB 4.15Å; G370-I435 PolarHBondContact N-O 3.16Å; I435-L450 HydrophobicContact CG2-CB 4.02Å; I435-L450 HydrophobicContact CG2-CD1 4.21Å; I435-L450 HydrophobicContact CG2-CD2 3.97Å; I435-L450 HydrophobicContact CG2-CG 4.29Å; I435-F451 CarbonylContact C-O 3.59Å; I435-F451 WeakPolarHBondContact CA-O 3.28Å; I435-Y454 HydrophobicContact CD1-CE1 4.28Å; I435-Y454 HydrophobicContact CG1-CE1 4Å; I435-L498 HydrophobicContact CD1-CD1 3.72Å; I435-L498 HydrophobicContact CG1-CD1 4.19Å; I435-E501 HydrophobicContact CD1-CB 3.4Å; I435-E501 VanDerWaalsContact CD1-CB 3.4Å; I435-E501 HydrophobicContact CD1-CG 3.54Å |
| 436 | V | 92.9 | Very high | 86.9 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 125.8 | 173.8 | 171.4 | 0 | 0 | 0 | 0 | 108.5 | G370 A375 I379 M426 L434 F451 | G370-V436 WeakPolarHBondContact O-CA 3.47Å; A375-V436 HydrophobicContact CB-CB 4.3Å; A375-V436 HydrophobicContact CB-CG1 3.63Å; A375-V436 HydrophobicContact CB-CG2 3.92Å; I379-V436 HydrophobicContact CD1-CG2 4.11Å; I379-V436 HydrophobicContact CG1-CG2 4.33Å; M426-V436 HydrophobicContact CE-CG2 4.09Å; M426-V436 HydrophobicContact SD-CB 4.42Å; M426-V436 HydrophobicContact SD-CG2 4.07Å; L434-V436 HydrophobicContact CD2-CG2 4.42Å; L434-V436 HydrophobicContact CG-CG2 4.45Å; V436-F451 HydrophobicContact CB-CB 4.24Å; V436-F451 PolarHBondContact N-O 3.4Å; V436-F451 PolarHBondContact O-N 2.93Å |
| 437 | T | 92.5 | Very high | 87.5 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 139.8 | 179.3 | 62.9 | 0 | 0 | 0 | 0 | 111.2 | G370 T371 L448 L450 P494 | G370-T437 PolarHBondContact O-N 3.08Å; T371-T437 WeakPolarHBondContact CA-OG1 3.37Å; T371-T437 WeakPolarHBondContact CB-OG1 3.38Å; T371-T437 WeakPolarHBondContact CG2-OG1 3.29Å; T371-T437 PolarHBondContact OG1-OG1 2.91Å; T437-L448 HydrophobicContact CG2-CD1 4.43Å; T437-L450 HydrophobicContact CG2-CD2 3.79Å; T437-P494 HydrophobicContact CG2-CB 3.69Å |
| 438 | T | 89.2 | Confident | 88.2 | Confident | 13 Ų | 13 | 56.4 Ų | 56.4 | 8% | 0.08 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 153.9 | 172.8 | -96.8 | 0 | 0 | 0 | 0 | 108.8 | K449 F451 Y484 G487 | T438-K449 HydrophobicContact CG2-CB 4.2Å; T438-K449 PolarHBondContact N-O 3.26Å; T438-K449 PolarHBondContact O-N 2.76Å; T438-K449 VanDerWaalsContact O-O 3.05Å; T438-F451 HydrophobicContact CG2-CE2 3.97Å; T438-Y484 HydrophobicContact CG2-CD1 3.39Å; T438-Y484 HydrophobicContact CG2-CE1 4.33Å; T438-Y484 HydrophobicContact CG2-CG 3.97Å; T438-G487 VanDerWaalsContact CA-CA 3.45Å |
| 439 | T | 87 | Confident | 88.5 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 121 | 174 | -60.5 | 0 | 0 | 0 | 0 | 109.8 | A441 A446 Y484 I485 D486 I490 | T439-A441 PolarHBondContact O-N 3.12Å; T439-A446 HydrophobicContact CG2-CB 3.92Å; T439-Y484 CarbonylContact O-C 3.11Å; T439-Y484 WeakPolarHBondContact O-CA 3.47Å; T439-I485 HydrophobicContact CG2-CD1 4.03Å; T439-I485 HydrophobicContact CG2-CG1 3.76Å; T439-I485 PolarHBondContact N-O 3.48Å; T439-I485 PolarHBondContact O-N 3.47Å; T439-D486 WeakPolarHBondContact CB-O 3.31Å; T439-D486 PolarHBondContact OG1-O 3.26Å; T439-I490 HydrophobicContact CG2-CD1 3.66Å; T439-I490 HydrophobicContact CG2-CG1 4.06Å |
| 440 | F | 86 | Confident | 88.8 | Confident | 38 Ų | 38 | 55.5 Ų | 55.5 | 17% | 0.167 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 106.2 | 167.1 | -174.3 | -126.6 | 0 | 0 | 0 | 109.3 | A442 T443 A446 Q447 E483 Y484 | F440-A442 HydrophobicContact CD2-CB 4.41Å; F440-A442 HydrophobicContact CE1-CB 4.25Å; F440-A442 HydrophobicContact CE2-CB 3.81Å; F440-A442 HydrophobicContact CZ-CB 3.7Å; F440-T443 HydrophobicContact CD1-CG2 3.72Å; F440-T443 HydrophobicContact CE1-CG2 3.37Å; F440-T443 HydrophobicContact CZ-CG2 4.46Å; F440-A446 CarbonylContact O-C 3.59Å; F440-A446 WeakPolarHBondContact O-CA 3.26Å; F440-A446 WeakPolarHBondContact O-CB 3.38Å; F440-Q447 HydrophobicContact CB-CB 4.35Å; F440-Q447 PolarHBondContact N-O 2.74Å; F440-Q447 PolarHBondContact O-N 2.98Å; F440-E483 HydrophobicContact CD2-CB 3.93Å; F440-E483 HydrophobicContact CE2-CB 3.51Å; F440-E483 HydrophobicContact CE2-CG 4.22Å; F440-E483 WeakPolarHBondContact CE2-OE2 3.35Å; F440-Y484 HydrophobicContact CB-CD1 4.12Å; F440-Y484 HydrophobicContact CB-CE1 3.96Å; F440-Y484 AromaticContact CD2-CD1 3.76Å; F440-Y484 HydrophobicContact CD2-CD1 3.76Å; F440-Y484 AromaticContact CD2-CE1 3.39Å; F440-Y484 HydrophobicContact CD2-CE1 3.39Å; F440-Y484 HydrophobicContact CD2-CE2 4.28Å; F440-Y484 HydrophobicContact CD2-CG 4.4Å; F440-Y484 AromaticContact CD2-CZ 3.67Å; F440-Y484 HydrophobicContact CE2-CE1 4.17Å; F440-Y484 HydrophobicContact CE2-CE2 4.39Å; F440-Y484 AromaticContact CE2-CZ 3.98Å; F440-Y484 HydrophobicContact CG-CD1 4.44Å; F440-Y484 HydrophobicContact CG-CE1 4.04Å |
| 441 | A | 83.5 | Confident | 89.1 | Confident | 20 Ų | 20 | 47.1 Ų | 47.1 | 17% | 0.165 | 25% | 0.247 | C | C | . | . | trans | -97.8 | -4.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114 | T439 T443 R444 E483 I485 | T439-A441 PolarHBondContact O-N 3.12Å; A441-T443 PolarHBondContact O-N 2.89Å; A441-R444 PolarHBondContact O-NH1 3.34Å; A441-E483 WeakPolarHBondContact CA-O 3.49Å; A441-E483 PolarHBondContact N-O 3.35Å; A441-I485 HydrophobicContact CB-CD1 3.59Å; A441-I485 HydrophobicContact CB-CG1 3.92Å; A441-I485 HydrophobicContact CB-CG2 4.22Å | ||
| 442 | A | 82.8 | Confident | 89.4 | Confident | 57 Ų | 57 | 43.7 Ų | 43.7 | 47% | 0.471 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -71.5 | -16.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F440 E483 | F440-A442 HydrophobicContact CD2-CB 4.41Å; F440-A442 HydrophobicContact CE1-CB 4.25Å; F440-A442 HydrophobicContact CE2-CB 3.81Å; F440-A442 HydrophobicContact CZ-CB 3.7Å; A442-E483 HydrophobicContact CB-CB 3.82Å; A442-E483 HydrophobicContact CB-CG 3.93Å; A442-E483 PolarHBondContact N-O 3.5Å |
| 443 | T | 84.4 | Confident | 89.5 | Confident | 40 Ų | 40 | 43.8 Ų | 43.8 | 25% | 0.245 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -98.7 | 160.4 | 175.6 | 56.9 | 0 | 0 | 0 | 0 | 113.1 | F440 A441 P445 A446 | F440-T443 HydrophobicContact CD1-CG2 3.72Å; F440-T443 HydrophobicContact CE1-CG2 3.37Å; F440-T443 HydrophobicContact CZ-CG2 4.46Å; A441-T443 PolarHBondContact O-N 2.89Å; T443-P445 CarbonylContact C-O 3.47Å; T443-P445 VanDerWaalsContact C-O 3.24Å; T443-P445 WeakPolarHBondContact CB-O 3.28Å; T443-P445 CarbonylContact O-C 3.59Å; T443-P445 PolarHBondContact OG1-O 3.22Å; T443-A446 PolarHBondContact O-N 3.3Å |
| 444 | R | 87 | Confident | 89.4 | Confident | 208 Ų | 208 | 42.4 Ų | 42.4 | 79% | 0.785 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -125.1 | 116.2 | 168.2 | -64.5 | -67.6 | 176.3 | -102.6 | 0.4 | 109.1 | A441 | A441-R444 PolarHBondContact O-NH1 3.34Š|
| 445 | P | 88.8 | Confident | 89.1 | Confident | 108 Ų | 108 | 45.9 Ų | 45.9 | 70% | 0.701 | 24% | 0.236 | S | C | * | . | S | Bend | cis | -63.6 | 158.9 | -5.4 | 30 | -35.5 | 0 | 0 | 0 | 112.3 | T443 | T443-P445 CarbonylContact C-O 3.47Å; T443-P445 VanDerWaalsContact C-O 3.24Å; T443-P445 WeakPolarHBondContact CB-O 3.28Å; T443-P445 CarbonylContact O-C 3.59Å; T443-P445 PolarHBondContact OG1-O 3.22Å |
| 446 | A | 88.1 | Confident | 89 | Confident | 40 Ų | 40 | 46.5 Ų | 46.5 | 33% | 0.331 | 24% | 0.239 | S | C | . | . | trans | -60.4 | 146.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | T439 F440 T443 I490 | T439-A446 HydrophobicContact CG2-CB 3.92Å; F440-A446 CarbonylContact O-C 3.59Å; F440-A446 WeakPolarHBondContact O-CA 3.26Å; F440-A446 WeakPolarHBondContact O-CB 3.38Å; T443-A446 PolarHBondContact O-N 3.3Å; A446-I490 HydrophobicContact CB-CD1 4.34Å | ||
| 447 | Q | 90.3 | Very high | 88.8 | Confident | 113 Ų | 113 | 47.4 Ų | 47.4 | 53% | 0.528 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 144.7 | -175.1 | -69.4 | -177 | 1.2 | 0 | 0 | 111.6 | F440 K449 I490 | F440-Q447 HydrophobicContact CB-CB 4.35Å; F440-Q447 PolarHBondContact N-O 2.74Å; F440-Q447 PolarHBondContact O-N 2.98Å; Q447-K449 PolarHBondContact O-N 2.99Å; Q447-I490 VanDerWaalsContact C-CD1 3.44Å |
| 448 | L | 91.7 | Very high | 88.7 | Confident | 54 Ų | 54 | 48.5 Ų | 48.5 | 28% | 0.283 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 117.5 | 170.1 | -179.5 | 62.4 | 0 | 0 | 0 | 109.2 | T437 L450 I490 D497 | T437-L448 HydrophobicContact CG2-CD1 4.43Å; L448-L450 HydrophobicContact CD1-CD2 4.01Å; L448-L450 HydrophobicContact CD2-CD2 3.95Å; L448-L450 HydrophobicContact CD2-CG 4.44Å; L448-L450 HydrophobicContact CG-CD2 3.82Å; L448-L450 HydrophobicContact CG-CG 4.27Å; L448-I490 HydrophobicContact CB-CD1 4.39Å; L448-I490 HydrophobicContact CB-CG2 3.96Å; L448-I490 HydrophobicContact CD1-CB 4.35Å; L448-I490 HydrophobicContact CD1-CG2 4.35Å; L448-D497 VanDerWaalsContact CD2-OD1 3.3Å; L448-D497 WeakPolarHBondContact CD2-OD1 3.5Å |
| 449 | K | 89.8 | Confident | 88.7 | Confident | 57 Ų | 57 | 50.5 Ų | 50.5 | 25% | 0.248 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 125.2 | 169.2 | -176.3 | 70.7 | 174 | -176.4 | 0 | 108.5 | T438 Q447 F451 Y484 | T438-K449 HydrophobicContact CG2-CB 4.2Å; T438-K449 PolarHBondContact N-O 3.26Å; T438-K449 PolarHBondContact O-N 2.76Å; T438-K449 VanDerWaalsContact O-O 3.05Å; Q447-K449 PolarHBondContact O-N 2.99Å; K449-F451 HydrophobicContact CG-CE2 4.42Å; K449-F451 HydrophobicContact CG-CZ 4.36Å; K449-Y484 HydrophobicContact CB-CD1 4.47Å; K449-Y484 HydrophobicContact CB-CE1 4.06Å; K449-Y484 HydrophobicContact CG-CE1 3.9Å |
| 450 | L | 91.7 | Very high | 88.8 | Confident | 14 Ų | 14 | 55 Ų | 55 | 7% | 0.073 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 115.3 | 174 | -60 | -176 | 0 | 0 | 0 | 109.2 | I435 T437 L448 R452 E501 | I435-L450 HydrophobicContact CG2-CB 4.02Å; I435-L450 HydrophobicContact CG2-CD1 4.21Å; I435-L450 HydrophobicContact CG2-CD2 3.97Å; I435-L450 HydrophobicContact CG2-CG 4.29Å; T437-L450 HydrophobicContact CG2-CD2 3.79Å; L448-L450 HydrophobicContact CD1-CD2 4.01Å; L448-L450 HydrophobicContact CD2-CD2 3.95Å; L448-L450 HydrophobicContact CD2-CG 4.44Å; L448-L450 HydrophobicContact CG-CD2 3.82Å; L448-L450 HydrophobicContact CG-CG 4.27Å; L450-R452 PolarHBondContact O-NH1 3.35Å; L450-E501 HydrophobicContact CD1-CG 3.96Å |
| 451 | F | 90 | Very high | 89 | Confident | 50 Ų | 50 | 56.7 Ų | 56.7 | 22% | 0.219 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 135.5 | 166 | -65.9 | -76 | 0 | 0 | 0 | 109.1 | M426 I435 V436 T438 K449 P474 | M426-F451 HydrophobicContact SD-CB 3.83Å; I435-F451 CarbonylContact C-O 3.59Å; I435-F451 WeakPolarHBondContact CA-O 3.28Å; V436-F451 HydrophobicContact CB-CB 4.24Å; V436-F451 PolarHBondContact N-O 3.4Å; V436-F451 PolarHBondContact O-N 2.93Å; T438-F451 HydrophobicContact CG2-CE2 3.97Å; K449-F451 HydrophobicContact CG-CE2 4.42Å; K449-F451 HydrophobicContact CG-CZ 4.36Å; F451-P474 HydrophobicContact CD1-CB 4.1Å; F451-P474 HydrophobicContact CD1-CG 3.79Å; F451-P474 HydrophobicContact CE1-CB 3.88Å; F451-P474 HydrophobicContact CE1-CG 4.1Å; F451-P474 HydrophobicContact CG-CG 4.08Å; F451-P474 HydrophobicContact CZ-CB 4.12Å |
| 452 | R | 91.3 | Very high | 89.4 | Confident | 30 Ų | 30 | 58.6 Ų | 58.6 | 11% | 0.113 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 141.4 | -171.2 | -60.8 | 175.1 | -178.7 | 98.4 | -11.4 | 110.3 | L434 L450 Y454 G467 P471 E501 | L434-R452 WeakPolarHBondContact O-CA 3.29Å; L450-R452 PolarHBondContact O-NH1 3.35Å; R452-Y454 HydrophobicContact CB-CD1 4.11Å; R452-Y454 HydrophobicContact CB-CE1 4.05Å; R452-Y454 WeakPolarHBondContact CB-O 3.43Å; R452-Y454 HydrophobicContact CG-CE1 4.17Å; R452-G467 PolarHBondContact NH1-O 3.06Å; R452-G467 VanDerWaalsContact NH1-O 3.09Å; R452-P471 WeakPolarHBondContact O-CB 3.43Å; R452-P471 WeakPolarHBondContact O-CG 3.2Å; R452-E501 IonicContact CZ-OE1 2.93Å; R452-E501 IonicContact CZ-OE2 3.54Å; R452-E501 IonicContact NE-OE1 2.95Å; R452-E501 IonicContact NE-OE2 2.92Å; R452-E501 PolarHBondContact NE-OE2 2.87Å; R452-E501 IonicContact NH2-OE1 2.64Å; R452-E501 PolarHBondContact NH2-OE1 2.85Å; R452-E501 IonicContact NH2-OE2 3.77Å; R452-E501 PolarHBondContact NH2-OE2 3.28Å |
| 453 | S | 91.2 | Very high | 89.8 | Confident | 14 Ų | 14 | 56 Ų | 56 | 10% | 0.098 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -80.4 | -5.6 | 170 | 67.9 | 0 | 0 | 0 | 0 | 113.2 | M426 I429 K432 L434 | M426-S453 WeakPolarHBondContact O-CB 3.35Å; I429-S453 WeakPolarHBondContact O-CB 3.3Å; K432-S453 PolarHBondContact O-OG 3.48Å; L434-S453 PolarHBondContact N-OG 3.33Å; L434-S453 PolarHBondContact O-N 2.87Å |
| 454 | Y | 89.9 | Confident | 90 | Very high | 21 Ų | 21 | 56.4 Ų | 56.4 | 8% | 0.082 | 30% | 0.3 | C | S | . | . | trans | -134 | 165.8 | -171 | 72.6 | -82.3 | 0 | 0 | 0 | 111.4 | W367 K433 I435 R452 Y468 E501 F505 | W367-Y454 HydrophobicContact CH2-CE2 4Å; W367-Y454 AromaticContact CH2-CZ 3.87Å; W367-Y454 AromaticContact CZ3-CE1 3.88Å; W367-Y454 HydrophobicContact CZ3-CE1 3.88Å; W367-Y454 HydrophobicContact CZ3-CE2 4.12Å; W367-Y454 AromaticContact CZ3-CZ 3.51Å; W367-Y454 WeakPolarHBondContact CZ3-OH 3.44Å; K433-Y454 HydrophobicContact CB-CD1 3.58Å; K433-Y454 HydrophobicContact CB-CE1 3.93Å; K433-Y454 HydrophobicContact CB-CG 4.05Å; K433-Y454 HydrophobicContact CD-CD1 4.38Å; K433-Y454 HydrophobicContact CD-CD2 4.08Å; K433-Y454 HydrophobicContact CD-CE2 4.4Å; K433-Y454 HydrophobicContact CD-CG 4.09Å; K433-Y454 HydrophobicContact CG-CD1 3.87Å; K433-Y454 HydrophobicContact CG-CD2 4.29Å; K433-Y454 HydrophobicContact CG-CE1 4.48Å; K433-Y454 HydrophobicContact CG-CG 3.78Å; I435-Y454 HydrophobicContact CD1-CE1 4.28Å; I435-Y454 HydrophobicContact CG1-CE1 4Å; R452-Y454 HydrophobicContact CB-CD1 4.11Å; R452-Y454 HydrophobicContact CB-CE1 4.05Å; R452-Y454 WeakPolarHBondContact CB-O 3.43Å; R452-Y454 HydrophobicContact CG-CE1 4.17Å; Y454-Y468 HydrophobicContact CE2-CE1 4.25Å; Y454-E501 PolarHBondContact OH-OE2 3.02Å; Y454-F505 AromaticContact CD2-CD2 3.95Å; Y454-F505 HydrophobicContact CD2-CD2 3.95Å; Y454-F505 HydrophobicContact CD2-CE2 4.11Å; Y454-F505 AromaticContact CE2-CD2 3.79Å; Y454-F505 HydrophobicContact CE2-CD2 3.79Å; Y454-F505 HydrophobicContact CE2-CE2 4.41Å | ||
| 455 | R | 89.4 | Confident | 90.1 | Very high | 74 Ų | 74 | 50.5 Ų | 50.5 | 28% | 0.279 | 30% | 0.296 | S | S | . | . | trans | -117.7 | 161.9 | 172.9 | -74 | -174.2 | 166.9 | 179.7 | -28.2 | 110.9 | E460 N463 | R455-E460 IonicContact CZ-OE1 3.17Å; R455-E460 IonicContact NH1-OE1 3.39Å; R455-E460 PolarHBondContact NH1-OE1 2.88Å; R455-E460 IonicContact NH2-OE1 2.74Å; R455-E460 PolarHBondContact NH2-OE1 3.02Å; R455-N463 WeakPolarHBondContact CB-OD1 3.49Å | ||
| 456 | L | 91.2 | Very high | 90.2 | Very high | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.063 | 29% | 0.287 | C | S | . | . | trans | -69.4 | 149.9 | 167.7 | -61.6 | 177.6 | 0 | 0 | 0 | 109.8 | L458 N463 L466 Y468 F505 A508 | L456-L458 HydrophobicContact CB-CB 4.37Å; L456-L458 HydrophobicContact CB-CD1 4Å; L456-L458 HydrophobicContact CB-CG 4.09Å; L456-L458 HydrophobicContact CD1-CD1 3.95Å; L456-L458 PolarHBondContact O-N 3.03Å; L456-N463 WeakPolarHBondContact CB-OD1 3.29Å; L456-N463 PolarHBondContact N-OD1 3.5Å; L456-N463 PolarHBondContact O-ND2 2.92Å; L456-L466 HydrophobicContact CD1-CD1 3.77Å; L456-Y468 HydrophobicContact CD1-CD1 4.27Å; L456-Y468 HydrophobicContact CD1-CD2 3.66Å; L456-Y468 HydrophobicContact CD1-CE1 4.11Å; L456-Y468 HydrophobicContact CD1-CE2 3.52Å; L456-Y468 HydrophobicContact CD1-CG 4.04Å; L456-Y468 HydrophobicContact CD2-CD1 4.15Å; L456-Y468 HydrophobicContact CD2-CE1 3.64Å; L456-Y468 HydrophobicContact CD2-CE2 4.46Å; L456-Y468 HydrophobicContact CG-CD1 3.66Å; L456-Y468 HydrophobicContact CG-CD2 3.99Å; L456-Y468 HydrophobicContact CG-CE1 3.62Å; L456-Y468 HydrophobicContact CG-CE2 3.98Å; L456-Y468 HydrophobicContact CG-CG 3.83Å; L456-F505 HydrophobicContact CD2-CB 4.31Å; L456-F505 HydrophobicContact CD2-CD2 4.11Å; L456-A508 HydrophobicContact CB-CB 4.08Å; L456-A508 HydrophobicContact CD1-CB 4.1Å; L456-A508 HydrophobicContact CD2-CB 3.95Å; L456-A508 HydrophobicContact CG-CB 4.27Å | ||
| 457 | P | 89.2 | Confident | 90.2 | Very high | 28 Ų | 28 | 49.3 Ų | 49.3 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -74 | 62.6 | 173 | 32.4 | -33.9 | 0 | 0 | 0 | 110.3 | F505 T509 A512 I520 | P457-F505 HydrophobicContact CG-CE2 4.49Å; P457-F505 HydrophobicContact CG-CZ 4.31Å; P457-T509 VanDerWaalsContact CG-OG1 3.29Å; P457-T509 WeakPolarHBondContact CG-OG1 3.44Å; P457-A512 WeakPolarHBondContact O-CB 3.2Å; P457-I520 HydrophobicContact CB-CD1 3.82Å; P457-I520 HydrophobicContact CB-CG2 4.08Å; P457-I520 WeakPolarHBondContact O-CD1 3.43Å |
| 458 | L | 89.9 | Confident | 90.1 | Very high | 25 Ų | 25 | 44.4 Ų | 44.4 | 13% | 0.131 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -137.9 | 169 | -177.7 | -64.2 | 175.3 | 0 | 0 | 0 | 109 | L456 L462 N463 L466 A508 F511 A512 L516 | L456-L458 HydrophobicContact CB-CB 4.37Å; L456-L458 HydrophobicContact CB-CD1 4Å; L456-L458 HydrophobicContact CB-CG 4.09Å; L456-L458 HydrophobicContact CD1-CD1 3.95Å; L456-L458 PolarHBondContact O-N 3.03Å; L458-L462 HydrophobicContact CB-CB 3.98Å; L458-L462 HydrophobicContact CB-CD1 4.23Å; L458-L462 HydrophobicContact CD1-CB 4.33Å; L458-L462 HydrophobicContact CD2-CD1 4.27Å; L458-N463 PolarHBondContact O-ND2 3.4Å; L458-L466 HydrophobicContact CD1-CD1 3.78Å; L458-A508 HydrophobicContact CD1-CB 3.92Å; L458-A508 HydrophobicContact CG-CB 4.12Å; L458-F511 HydrophobicContact CD2-CD1 3.96Å; L458-A512 HydrophobicContact CD2-CB 4.02Å; L458-L516 HydrophobicContact CD2-CD1 4.12Å |
| 459 | S | 89.6 | Confident | 89.5 | Confident | 56 Ų | 56 | 45.7 Ų | 45.7 | 39% | 0.392 | 27% | 0.267 | S | S | . | . | trans | -58 | 158.9 | 175 | 73.3 | 0 | 0 | 0 | 0 | 112.4 | A461 L462 N463 | S459-A461 VanDerWaalsContact C-N 3.26Å; S459-A461 PolarHBondContact O-N 3.31Å; S459-L462 PolarHBondContact O-N 3.27Å; S459-L462 WeakPolarHBondContact OG-CG 3.49Å; S459-L462 PolarHBondContact OG-N 3.45Å; S459-N463 WeakPolarHBondContact O-CB 3.49Å; S459-N463 PolarHBondContact O-N 3.05Å; S459-N463 PolarHBondContact O-ND2 3.41Å; S459-N463 VanDerWaalsContact O-ND2 3.1Å | ||
| 460 | E | 88.7 | Confident | 88.4 | Confident | 96 Ų | 96 | 50.2 Ų | 50.2 | 45% | 0.449 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.1 | -35.9 | 178.3 | -174.7 | 149.7 | -130.1 | 0 | 0 | 111.9 | R455 N463 A464 R470 | R455-E460 IonicContact CZ-OE1 3.17Å; R455-E460 IonicContact NH1-OE1 3.39Å; R455-E460 PolarHBondContact NH1-OE1 2.88Å; R455-E460 IonicContact NH2-OE1 2.74Å; R455-E460 PolarHBondContact NH2-OE1 3.02Å; E460-N463 PolarHBondContact O-N 2.94Å; E460-A464 WeakPolarHBondContact O-CB 3.39Å; E460-A464 PolarHBondContact O-N 2.77Å; E460-R470 IonicContact OE1-CZ 3.35Å; E460-R470 IonicContact OE1-NE 2.94Å; E460-R470 PolarHBondContact OE1-NE 3.04Å; E460-R470 IonicContact OE1-NH2 2.92Å; E460-R470 PolarHBondContact OE1-NH2 2.84Å; E460-R470 IonicContact OE2-NH2 3.23Å; E460-R470 PolarHBondContact OE2-NH2 2.93Å |
| 461 | A | 90.7 | Very high | 86.9 | Confident | 74 Ų | 74 | 51.1 Ų | 51.1 | 61% | 0.612 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -65.2 | -42.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S459 A464 A465 | S459-A461 VanDerWaalsContact C-N 3.26Å; S459-A461 PolarHBondContact O-N 3.31Å; A461-A464 PolarHBondContact O-N 3.47Å; A461-A465 WeakPolarHBondContact O-CB 3.42Å; A461-A465 PolarHBondContact O-N 3.27Å |
| 462 | L | 90.7 | Very high | 84.9 | Confident | 59 Ų | 59 | 53 Ų | 53 | 31% | 0.309 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.5 | -41.1 | 176.7 | -74.9 | 174.1 | 0 | 0 | 0 | 111.7 | L458 S459 A464 A465 L466 L516 | L458-L462 HydrophobicContact CB-CB 3.98Å; L458-L462 HydrophobicContact CB-CD1 4.23Å; L458-L462 HydrophobicContact CD1-CB 4.33Å; L458-L462 HydrophobicContact CD2-CD1 4.27Å; S459-L462 PolarHBondContact O-N 3.27Å; S459-L462 WeakPolarHBondContact OG-CG 3.49Å; S459-L462 PolarHBondContact OG-N 3.45Å; L462-A464 VanDerWaalsContact C-N 3.34Å; L462-A464 PolarHBondContact O-N 2.81Å; L462-A465 PolarHBondContact O-N 3.1Å; L462-L466 WeakPolarHBondContact O-CB 3.11Å; L462-L466 VanDerWaalsContact O-CG 3.22Å; L462-L466 WeakPolarHBondContact O-CG 3.03Å; L462-L466 PolarHBondContact O-N 3.03Å; L462-L516 HydrophobicContact CD1-CD1 3.94Å |
| 463 | N | 91.8 | Very high | 82.6 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.011 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.8 | -47.4 | 173.1 | -89.6 | -76.8 | 0 | 0 | 0 | 111 | R455 L456 L458 S459 E460 L466 G467 Y468 | R455-N463 WeakPolarHBondContact CB-OD1 3.49Å; L456-N463 WeakPolarHBondContact CB-OD1 3.29Å; L456-N463 PolarHBondContact N-OD1 3.5Å; L456-N463 PolarHBondContact O-ND2 2.92Å; L458-N463 PolarHBondContact O-ND2 3.4Å; S459-N463 WeakPolarHBondContact O-CB 3.49Å; S459-N463 PolarHBondContact O-N 3.05Å; S459-N463 PolarHBondContact O-ND2 3.41Å; S459-N463 VanDerWaalsContact O-ND2 3.1Å; E460-N463 PolarHBondContact O-N 2.94Å; N463-L466 CarbonylContact O-C 3.49Å; N463-L466 PolarHBondContact O-N 3.27Å; N463-G467 PolarHBondContact O-N 3.4Å; N463-G467 VanDerWaalsContact O-N 3.08Å; N463-Y468 WeakPolarHBondContact CB-O 3.49Å; N463-Y468 CarbonylContact O-C 3.58Å; N463-Y468 WeakPolarHBondContact O-CA 3.12Å; N463-Y468 PolarHBondContact O-N 3.27Å; N463-Y468 WeakPolarHBondContact OD1-CB 3.26Å |
| 464 | A | 88.9 | Confident | 80.3 | Confident | 50 Ų | 50 | 54.7 Ų | 54.7 | 41% | 0.413 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.1 | -46 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E460 A461 L462 L466 G467 D469 | E460-A464 WeakPolarHBondContact O-CB 3.39Å; E460-A464 PolarHBondContact O-N 2.77Å; A461-A464 PolarHBondContact O-N 3.47Å; L462-A464 VanDerWaalsContact C-N 3.34Å; L462-A464 PolarHBondContact O-N 2.81Å; A464-L466 PolarHBondContact O-N 3.25Å; A464-G467 PolarHBondContact O-N 3.1Å; A464-G467 VanDerWaalsContact O-N 3.09Å; A464-D469 WeakPolarHBondContact CA-OD1 3.21Å |
| 465 | A | 90 | Very high | 78 | Confident | 84 Ų | 84 | 56.7 Ų | 56.7 | 69% | 0.694 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.8 | -31.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | A461 L462 | A461-A465 WeakPolarHBondContact O-CB 3.42Å; A461-A465 PolarHBondContact O-N 3.27Å; L462-A465 PolarHBondContact O-N 3.1Å |
| 466 | L | 90.6 | Very high | 75.8 | Confident | 97 Ų | 97 | 54.1 Ų | 54.1 | 51% | 0.508 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -0.1 | 178.5 | -65.4 | 171.4 | 0 | 0 | 0 | 113.3 | L456 L458 L462 N463 A464 Y468 | L456-L466 HydrophobicContact CD1-CD1 3.77Å; L458-L466 HydrophobicContact CD1-CD1 3.78Å; L462-L466 WeakPolarHBondContact O-CB 3.11Å; L462-L466 VanDerWaalsContact O-CG 3.22Å; L462-L466 WeakPolarHBondContact O-CG 3.03Å; L462-L466 PolarHBondContact O-N 3.03Å; N463-L466 CarbonylContact O-C 3.49Å; N463-L466 PolarHBondContact O-N 3.27Å; A464-L466 PolarHBondContact O-N 3.25Å; L466-Y468 HydrophobicContact CB-CD2 3.75Å; L466-Y468 HydrophobicContact CB-CE2 4.13Å; L466-Y468 WeakPolarHBondContact O-CD2 3.41Å |
| 467 | G | 87.6 | Confident | 73.4 | Confident | 26 Ų | 26 | 57 Ų | 57 | 27% | 0.268 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 27 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | R452 N463 A464 | R452-G467 PolarHBondContact NH1-O 3.06Å; R452-G467 VanDerWaalsContact NH1-O 3.09Å; N463-G467 PolarHBondContact O-N 3.4Å; N463-G467 VanDerWaalsContact O-N 3.08Å; A464-G467 PolarHBondContact O-N 3.1Å; A464-G467 VanDerWaalsContact O-N 3.09Å |
| 468 | Y | 88.2 | Confident | 70.9 | Confident | 10 Ų | 10 | 59.1 Ų | 59.1 | 4% | 0.039 | 35% | 0.354 | C | S | . | . | trans | -104.2 | 47.4 | 172.1 | -68.2 | -104.1 | 0 | 0 | 0 | 110.6 | Y454 L456 N463 L466 E501 | Y454-Y468 HydrophobicContact CE2-CE1 4.25Å; L456-Y468 HydrophobicContact CD1-CD1 4.27Å; L456-Y468 HydrophobicContact CD1-CD2 3.66Å; L456-Y468 HydrophobicContact CD1-CE1 4.11Å; L456-Y468 HydrophobicContact CD1-CE2 3.52Å; L456-Y468 HydrophobicContact CD1-CG 4.04Å; L456-Y468 HydrophobicContact CD2-CD1 4.15Å; L456-Y468 HydrophobicContact CD2-CE1 3.64Å; L456-Y468 HydrophobicContact CD2-CE2 4.46Å; L456-Y468 HydrophobicContact CG-CD1 3.66Å; L456-Y468 HydrophobicContact CG-CD2 3.99Å; L456-Y468 HydrophobicContact CG-CE1 3.62Å; L456-Y468 HydrophobicContact CG-CE2 3.98Å; L456-Y468 HydrophobicContact CG-CG 3.83Å; N463-Y468 WeakPolarHBondContact CB-O 3.49Å; N463-Y468 CarbonylContact O-C 3.58Å; N463-Y468 WeakPolarHBondContact O-CA 3.12Å; N463-Y468 PolarHBondContact O-N 3.27Å; N463-Y468 WeakPolarHBondContact OD1-CB 3.26Å; L466-Y468 HydrophobicContact CB-CD2 3.75Å; L466-Y468 HydrophobicContact CB-CE2 4.13Å; L466-Y468 WeakPolarHBondContact O-CD2 3.41Å; Y468-E501 PolarHBondContact OH-OE1 3.3Å; Y468-E501 VanDerWaalsContact OH-OE1 3.06Å; Y468-E501 PolarHBondContact OH-OE2 3.33Å | ||
| 469 | D | 78.9 | Confident | 68.6 | Low | 81 Ų | 81 | 60.2 Ų | 60.2 | 43% | 0.433 | 36% | 0.362 | S | S | . | . | trans | -54.9 | 167.4 | 175.6 | -59.4 | -52.9 | 0 | 0 | 0 | 111.7 | A464 | A464-D469 WeakPolarHBondContact CA-OD1 3.21Š| ||
| 470 | R | 67.7 | Low | 66.4 | Low | 152 Ų | 152 | 62 Ų | 62 | 57% | 0.574 | 37% | 0.371 | S | S | * | . | trans | -52.1 | 146.5 | 170.8 | -67.6 | -166.8 | -173.9 | -175.2 | 0.3 | 107.5 | E460 S472 | E460-R470 IonicContact OE1-CZ 3.35Å; E460-R470 IonicContact OE1-NE 2.94Å; E460-R470 PolarHBondContact OE1-NE 3.04Å; E460-R470 IonicContact OE1-NH2 2.92Å; E460-R470 PolarHBondContact OE1-NH2 2.84Å; E460-R470 IonicContact OE2-NH2 3.23Å; E460-R470 PolarHBondContact OE2-NH2 2.93Å; R470-S472 PolarHBondContact O-N 2.98Å | ||
| 471 | P | 58.7 | Low | 64.5 | Low | 32 Ų | 32 | 63 Ų | 63 | 21% | 0.208 | 38% | 0.379 | C | S | . | . | trans | -65.4 | 73.6 | 162.7 | -0.8 | 14.7 | 0 | 0 | 0 | 107.4 | M426 A427 R452 A473 | M426-P471 HydrophobicContact CB-CB 4.32Å; A427-P471 HydrophobicContact CB-CB 3.93Å; A427-P471 HydrophobicContact CB-CG 3.97Å; R452-P471 WeakPolarHBondContact O-CB 3.43Å; R452-P471 WeakPolarHBondContact O-CG 3.2Å; P471-A473 PolarHBondContact O-N 3.15Å | ||
| 472 | S | 48 | Very low | 63 | Low | 90 Ų | 90 | 68 Ų | 68 | 63% | 0.629 | 39% | 0.389 | S | S | * | . | trans | -62.7 | 115.2 | 163.1 | -56.3 | 0 | 0 | 0 | 0 | 103.4 | R470 P474 | R470-S472 PolarHBondContact O-N 2.98Å; S472-P474 WeakPolarHBondContact O-CD 3.44Å | ||
| 473 | A | 43.3 | Very low | 61.9 | Low | 42 Ų | 42 | 68.3 Ų | 68.3 | 35% | 0.347 | 39% | 0.389 | S | S | . | . | trans | -38.8 | 108.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 110 | T425 P471 T475 | T425-A473 HydrophobicContact CG2-CB 3.49Å; T425-A473 VanDerWaalsContact CG2-CB 3.49Å; P471-A473 PolarHBondContact O-N 3.15Å; A473-T475 PolarHBondContact O-N 3.46Å; A473-T475 PolarHBondContact O-OG1 2.92Å | ||
| 474 | P | 43.5 | Very low | 61 | Low | 38 Ų | 38 | 71.7 Ų | 71.7 | 25% | 0.247 | 40% | 0.402 | C | S | . | . | trans | -67.8 | 100.5 | 160.9 | 18.9 | -11.5 | 0 | 0 | 0 | 103 | M426 F451 S472 Y476 | M426-P474 HydrophobicContact SD-CG 4.48Å; F451-P474 HydrophobicContact CD1-CB 4.1Å; F451-P474 HydrophobicContact CD1-CG 3.79Å; F451-P474 HydrophobicContact CE1-CB 3.88Å; F451-P474 HydrophobicContact CE1-CG 4.1Å; F451-P474 HydrophobicContact CG-CG 4.08Å; F451-P474 HydrophobicContact CZ-CB 4.12Å; S472-P474 WeakPolarHBondContact O-CD 3.44Å; P474-Y476 PolarHBondContact O-N 2.9Å | ||
| 475 | T | 40.6 | Very low | 60.4 | Low | 63 Ų | 63 | 72.9 Ų | 72.9 | 39% | 0.387 | 40% | 0.401 | S | S | . | . | trans | -63.5 | 91.5 | -179.8 | -28.3 | 0 | 0 | 0 | 0 | 106.5 | E414 R418 A473 F477 | E414-T475 VanDerWaalsContact OE1-CG2 3.27Å; E414-T475 WeakPolarHBondContact OE1-CG2 3.46Å; R418-T475 VanDerWaalsContact NH2-CG2 3.28Å; A473-T475 PolarHBondContact O-N 3.46Å; A473-T475 PolarHBondContact O-OG1 2.92Å; T475-F477 PolarHBondContact O-N 3.25Å | ||
| 476 | Y | 43.8 | Very low | 59.8 | Low | 19 Ų | 19 | 72.4 Ų | 72.4 | 8% | 0.075 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -9.4 | 82.1 | 179.9 | -63.5 | -91.3 | 0 | 0 | 0 | 115.8 | I379 E414 L417 F421 N424 P474 | I379-Y476 HydrophobicContact CD1-CE1 4.04Å; I379-Y476 HydrophobicContact CG2-CE1 4.26Å; E414-Y476 WeakPolarHBondContact CA-O 3.36Å; E414-Y476 WeakPolarHBondContact CB-O 3.41Å; E414-Y476 VanDerWaalsContact CG-O 3.27Å; E414-Y476 WeakPolarHBondContact CG-O 3.19Å; L417-Y476 HydrophobicContact CB-CD1 4.42Å; L417-Y476 HydrophobicContact CB-CG 4.38Å; L417-Y476 HydrophobicContact CD1-CD1 4.29Å; F421-Y476 HydrophobicContact CD2-CD1 4.31Å; F421-Y476 AromaticContact CD2-CE1 3.99Å; F421-Y476 HydrophobicContact CD2-CE1 3.99Å; F421-Y476 HydrophobicContact CE2-CE1 4.36Å; N424-Y476 WeakPolarHBondContact O-CE2 3.5Å; N424-Y476 PolarHBondContact O-OH 3.35Å; P474-Y476 PolarHBondContact O-N 2.9Å |
| 477 | F | 40.4 | Very low | 59.2 | Low | 72 Ų | 72 | 67.9 Ų | 67.9 | 32% | 0.316 | 36% | 0.363 | S | S | . | . | S | Bend | trans | 65.8 | 78.5 | 162 | -52.9 | -84.6 | 0 | 0 | 0 | 118.1 | G410 L413 L417 T475 | G410-F477 CarbonylContact C-O 3.57Å; G410-F477 VanDerWaalsContact O-O 3.1Å; L413-F477 HydrophobicContact CD2-CB 3.59Å; L413-F477 HydrophobicContact CD2-CD2 4.36Å; L413-F477 HydrophobicContact CD2-CG 3.97Å; L413-F477 HydrophobicContact CG-CB 4.06Å; L417-F477 HydrophobicContact CD1-CD2 3.44Å; L417-F477 VanDerWaalsContact CD1-CD2 3.44Å; L417-F477 HydrophobicContact CD1-CE2 3.86Å; T475-F477 PolarHBondContact O-N 3.25Å |
| 478 | N | 37.3 | Very low | 59 | Low | 74 Ų | 74 | 66.9 Ų | 66.9 | 40% | 0.396 | 35% | 0.354 | S | S | . | . | S | Bend | -134.7 | 157.9 | 124.1 | -135.2 | -4 | 0 | 0 | 0 | 106.3 | V480 | N478-V480 VanDerWaalsContact C-N 3.25Å; N478-V480 PolarHBondContact O-N 3.01Å | |
| 479 | P | 40.6 | Very low | 58.7 | Low | 47 Ų | 47 | 70 Ų | 70 | 31% | 0.305 | 37% | 0.371 | S | S | . | . | trans | -67.7 | 99.6 | 170.5 | 30.2 | -27.8 | 0 | 0 | 0 | 105.7 | D481 H482 | P479-D481 PolarHBondContact O-N 3.43Å; P479-H482 PolarHBondContact O-N 2.86Å | ||
| 480 | V | 44.4 | Very low | 59.2 | Low | 94 Ų | 94 | 70 Ų | 70 | 57% | 0.57 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -52.4 | 105.3 | 152.4 | -172.4 | 0 | 0 | 0 | 0 | 102.9 | N478 | N478-V480 VanDerWaalsContact C-N 3.25Å; N478-V480 PolarHBondContact O-N 3.01Å |
| 481 | D | 49.9 | Very low | 60.4 | Low | 117 Ų | 117 | 63.1 Ų | 63.1 | 63% | 0.626 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | 84.1 | 18.9 | 176.9 | -47.3 | -39.9 | 0 | 0 | 0 | 120.5 | P479 E483 | P479-D481 PolarHBondContact O-N 3.43Å; D481-E483 HydrophobicContact CB-CG 3.99Å; D481-E483 WeakPolarHBondContact O-CG 3.39Å; D481-E483 PolarHBondContact O-N 3.44Å; D481-E483 VanDerWaalsContact O-N 3.1Å |
| 482 | H | 57.6 | Low | 62 | Low | 178 Ų | 178 | 62.2 Ų | 62.2 | 82% | 0.824 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | 59.9 | 13.3 | -179.3 | -62 | -75.2 | 0 | 0 | 0 | 115.5 | P479 | P479-H482 PolarHBondContact O-N 2.86Š|
| 483 | E | 68.2 | Low | 64.3 | Low | 66 Ų | 66 | 58.1 Ų | 58.1 | 31% | 0.308 | 31% | 0.309 | S | S | . | . | trans | -97 | -28.2 | -170.7 | -50.6 | -169.8 | 131.7 | 0 | 0 | 114.8 | F440 A441 A442 D481 | F440-E483 HydrophobicContact CD2-CB 3.93Å; F440-E483 HydrophobicContact CE2-CB 3.51Å; F440-E483 HydrophobicContact CE2-CG 4.22Å; F440-E483 WeakPolarHBondContact CE2-OE2 3.35Å; A441-E483 WeakPolarHBondContact CA-O 3.49Å; A441-E483 PolarHBondContact N-O 3.35Å; A442-E483 HydrophobicContact CB-CB 3.82Å; A442-E483 HydrophobicContact CB-CG 3.93Å; A442-E483 PolarHBondContact N-O 3.5Å; D481-E483 HydrophobicContact CB-CG 3.99Å; D481-E483 WeakPolarHBondContact O-CG 3.39Å; D481-E483 PolarHBondContact O-N 3.44Å; D481-E483 VanDerWaalsContact O-N 3.1Å | ||
| 484 | Y | 73.3 | Confident | 66.8 | Low | 73 Ų | 73 | 56.1 Ų | 56.1 | 29% | 0.286 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 136.4 | -172.9 | -62.9 | -78.7 | 0 | 0 | 0 | 112.5 | T438 T439 F440 K449 | T438-Y484 HydrophobicContact CG2-CD1 3.39Å; T438-Y484 HydrophobicContact CG2-CE1 4.33Å; T438-Y484 HydrophobicContact CG2-CG 3.97Å; T439-Y484 CarbonylContact O-C 3.11Å; T439-Y484 WeakPolarHBondContact O-CA 3.47Å; F440-Y484 HydrophobicContact CB-CD1 4.12Å; F440-Y484 HydrophobicContact CB-CE1 3.96Å; F440-Y484 AromaticContact CD2-CD1 3.76Å; F440-Y484 HydrophobicContact CD2-CD1 3.76Å; F440-Y484 AromaticContact CD2-CE1 3.39Å; F440-Y484 HydrophobicContact CD2-CE1 3.39Å; F440-Y484 HydrophobicContact CD2-CE2 4.28Å; F440-Y484 HydrophobicContact CD2-CG 4.4Å; F440-Y484 AromaticContact CD2-CZ 3.67Å; F440-Y484 HydrophobicContact CE2-CE1 4.17Å; F440-Y484 HydrophobicContact CE2-CE2 4.39Å; F440-Y484 AromaticContact CE2-CZ 3.98Å; F440-Y484 HydrophobicContact CG-CD1 4.44Å; F440-Y484 HydrophobicContact CG-CE1 4.04Å; K449-Y484 HydrophobicContact CB-CD1 4.47Å; K449-Y484 HydrophobicContact CB-CE1 4.06Å; K449-Y484 HydrophobicContact CG-CE1 3.9Å |
| 485 | I | 76.2 | Confident | 69.4 | Low | 76 Ų | 76 | 54.4 Ų | 54.4 | 39% | 0.39 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 178.6 | 178.1 | 66.4 | -177.5 | 0 | 0 | 0 | 110.8 | T439 A441 G487 L489 | T439-I485 HydrophobicContact CG2-CD1 4.03Å; T439-I485 HydrophobicContact CG2-CG1 3.76Å; T439-I485 PolarHBondContact N-O 3.48Å; T439-I485 PolarHBondContact O-N 3.47Å; A441-I485 HydrophobicContact CB-CD1 3.59Å; A441-I485 HydrophobicContact CB-CG1 3.92Å; A441-I485 HydrophobicContact CB-CG2 4.22Å; I485-G487 PolarHBondContact O-N 3.38Å; I485-L489 HydrophobicContact CD1-CD1 3.22Å; I485-L489 HydrophobicContact CG1-CD1 3.74Å |
| 486 | D | 78.2 | Confident | 72 | Confident | 74 Ų | 74 | 54.2 Ų | 54.2 | 40% | 0.396 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.7 | 130.2 | -176.6 | -163.6 | -30.2 | 0 | 0 | 0 | 111.7 | S372 T439 G488 L489 | S372-D486 WeakPolarHBondContact CB-OD1 3.44Å; S372-D486 WeakPolarHBondContact CB-OD2 3.5Å; S372-D486 PolarHBondContact OG-OD2 3.49Å; T439-D486 WeakPolarHBondContact CB-O 3.31Å; T439-D486 PolarHBondContact OG1-O 3.26Å; D486-G488 PolarHBondContact O-N 2.91Å; D486-G488 PolarHBondContact OD1-N 3.23Å; D486-L489 PolarHBondContact O-N 2.7Å |
| 487 | G | 77.2 | Confident | 74.5 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -60.6 | -23.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | T438 I485 L489 I490 S491 | T438-G487 VanDerWaalsContact CA-CA 3.45Å; I485-G487 PolarHBondContact O-N 3.38Å; G487-L489 PolarHBondContact O-N 3.21Å; G487-I490 PolarHBondContact O-N 3.46Å; G487-S491 CarbonylContact O-C 3.54Å; G487-S491 PolarHBondContact O-N 3.21Å |
| 488 | G | 82.8 | Confident | 77.2 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 6% | 0.062 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -62.2 | -10 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D486 N492 V575 | D486-G488 PolarHBondContact O-N 2.91Å; D486-G488 PolarHBondContact OD1-N 3.23Å; G488-N492 WeakPolarHBondContact CA-OD1 3.35Å; G488-V575 VanDerWaalsContact O-O 3.09Å |
| 489 | L | 83.1 | Confident | 80 | Confident | 76 Ų | 76 | 48.7 Ų | 48.7 | 40% | 0.398 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -80.2 | -14.3 | 173.3 | -67.5 | 174.4 | 0 | 0 | 0 | 114.8 | I485 D486 G487 V575 | I485-L489 HydrophobicContact CD1-CD1 3.22Å; I485-L489 HydrophobicContact CG1-CD1 3.74Å; D486-L489 PolarHBondContact O-N 2.7Å; G487-L489 PolarHBondContact O-N 3.21Å; L489-V575 VanDerWaalsContact C-CG1 3.48Å; L489-V575 VanDerWaalsContact CA-CG1 3.44Å; L489-V575 HydrophobicContact CB-CG1 4.17Å; L489-V575 HydrophobicContact CD2-CG1 3.85Å; L489-V575 WeakPolarHBondContact O-CG1 3.36Å |
| 490 | I | 89.3 | Confident | 82.6 | Confident | 79 Ų | 79 | 48.3 Ų | 48.3 | 41% | 0.405 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | -39.6 | 174.7 | -61.7 | 176.8 | 0 | 0 | 0 | 110.7 | T439 A446 Q447 L448 G487 | T439-I490 HydrophobicContact CG2-CD1 3.66Å; T439-I490 HydrophobicContact CG2-CG1 4.06Å; A446-I490 HydrophobicContact CB-CD1 4.34Å; Q447-I490 VanDerWaalsContact C-CD1 3.44Å; L448-I490 HydrophobicContact CB-CD1 4.39Å; L448-I490 HydrophobicContact CB-CG2 3.96Å; L448-I490 HydrophobicContact CD1-CB 4.35Å; L448-I490 HydrophobicContact CD1-CG2 4.35Å; G487-I490 PolarHBondContact O-N 3.46Å |
| 491 | S | 92.6 | Very high | 85.1 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 6% | 0.056 | 23% | 0.225 | C | C | . | . | trans | -138.1 | 83.9 | -178.9 | 179.6 | 0 | 0 | 0 | 0 | 110.7 | T371 G487 N493 P494 D497 | T371-S491 WeakPolarHBondContact CB-O 3.28Å; T371-S491 WeakPolarHBondContact CG2-O 3.47Å; T371-S491 PolarHBondContact OG1-O 2.83Å; G487-S491 CarbonylContact O-C 3.54Å; G487-S491 PolarHBondContact O-N 3.21Å; S491-N493 PolarHBondContact OG-O 3.32Å; S491-P494 WeakPolarHBondContact OG-CA 3.47Å; S491-D497 VanDerWaalsContact CB-OD2 3.23Å; S491-D497 WeakPolarHBondContact CB-OD2 3.45Å; S491-D497 PolarHBondContact OG-OD2 3.47Å | ||
| 492 | N | 92.5 | Very high | 87.2 | Confident | 13 Ų | 13 | 38.2 Ų | 38.2 | 7% | 0.07 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -80.4 | -20.2 | 175.6 | -150.4 | 24.8 | 0 | 0 | 0 | 113.6 | D332 G333 G488 S576 T578 | D332-N492 WeakPolarHBondContact CA-O 3.48Å; G333-N492 WeakPolarHBondContact CA-OD1 3.3Å; G333-N492 PolarHBondContact N-O 3.27Å; G333-N492 PolarHBondContact N-OD1 3.21Å; G333-N492 PolarHBondContact O-ND2 2.66Å; G488-N492 WeakPolarHBondContact CA-OD1 3.35Å; N492-S576 PolarHBondContact ND2-O 3.47Å; N492-T578 HydrophobicContact CB-CG2 4.05Å; N492-T578 WeakPolarHBondContact ND2-CG2 3.36Å |
| 493 | N | 95 | Very high | 88.9 | Confident | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.027 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -118.5 | 102.6 | 167.9 | 178.7 | -38.6 | 0 | 0 | 0 | 108 | D332 S491 T495 T578 T582 R599 | D332-N493 WeakPolarHBondContact OD1-CA 3.28Å; D332-N493 WeakPolarHBondContact OD1-CB 3.48Å; D332-N493 PolarHBondContact OD1-ND2 3.12Å; S491-N493 PolarHBondContact OG-O 3.32Å; N493-T495 PolarHBondContact O-N 3.49Å; N493-T495 WeakPolarHBondContact OD1-CB 3.27Å; N493-T495 PolarHBondContact OD1-N 3.12Å; N493-T495 PolarHBondContact OD1-OG1 3.3Å; N493-T578 WeakPolarHBondContact CB-O 3.35Å; N493-T578 PolarHBondContact ND2-O 2.73Å; N493-T582 HydrophobicContact CB-CG2 3.94Å; N493-R599 PolarHBondContact ND2-NH1 3.23Å |
| 494 | P | 96.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 14.5 | -169.5 | 35.4 | -36.9 | 0 | 0 | 0 | 113.7 | A369 T437 S491 M496 D497 L498 | A369-P494 HydrophobicContact CB-CB 3.83Å; A369-P494 HydrophobicContact CB-CG 3.85Å; T437-P494 HydrophobicContact CG2-CB 3.69Å; S491-P494 WeakPolarHBondContact OG-CA 3.47Å; P494-M496 PolarHBondContact O-N 2.89Å; P494-D497 PolarHBondContact O-N 3.47Å; P494-L498 WeakPolarHBondContact O-CB 3.24Å; P494-L498 PolarHBondContact O-N 2.91Å |
| 495 | T | 97.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.2 | -46.4 | -175.9 | -52.6 | 0 | 0 | 0 | 0 | 111.9 | S330 N493 D497 L498 M499 V530 S532 C586 Y597 | S330-T495 PolarHBondContact OG-OG1 2.93Å; N493-T495 PolarHBondContact O-N 3.49Å; N493-T495 WeakPolarHBondContact OD1-CB 3.27Å; N493-T495 PolarHBondContact OD1-N 3.12Å; N493-T495 PolarHBondContact OD1-OG1 3.3Å; T495-D497 VanDerWaalsContact C-N 3.34Å; T495-D497 PolarHBondContact O-N 3.35Å; T495-L498 WeakPolarHBondContact O-CB 3.5Å; T495-L498 PolarHBondContact O-N 3.14Å; T495-M499 HydrophobicContact CG2-SD 4.43Å; T495-M499 WeakPolarHBondContact O-CG 3.36Å; T495-M499 PolarHBondContact O-N 3.47Å; T495-V530 HydrophobicContact CG2-CG1 3.5Å; T495-S532 WeakPolarHBondContact OG1-CB 3.32Å; T495-S532 PolarHBondContact OG1-OG 3.03Å; T495-S532 VanDerWaalsContact OG1-OG 3.1Å; T495-C586 HydrophobicContact CG2-CB 4.35Å; T495-Y597 HydrophobicContact CG2-CE2 3.83Å |
| 496 | M | 95.9 | Very high | 91.9 | Very high | 59 Ų | 59 | 31.3 Ų | 31.3 | 29% | 0.291 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -67.8 | -37.9 | -178.8 | -164.9 | 177.9 | -59.5 | 0 | 0 | 111.6 | P494 L498 M499 A500 R585 | P494-M496 PolarHBondContact O-N 2.89Å; M496-L498 VanDerWaalsContact C-N 3.33Å; M496-M499 PolarHBondContact O-N 3.41Å; M496-A500 WeakPolarHBondContact O-CB 2.97Å; M496-A500 PolarHBondContact O-N 3.3Å; M496-R585 HydrophobicContact CE-CB 3.34Å; M496-R585 HydrophobicContact CE-CG 4.37Å |
| 497 | D | 96 | Very high | 92.6 | Very high | 38 Ų | 38 | 30.4 Ų | 30.4 | 20% | 0.203 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.2 | -42 | 174.2 | -59.5 | -68.1 | 0 | 0 | 0 | 111.1 | L448 S491 P494 T495 M499 A500 E501 | L448-D497 VanDerWaalsContact CD2-OD1 3.3Å; L448-D497 WeakPolarHBondContact CD2-OD1 3.5Å; S491-D497 VanDerWaalsContact CB-OD2 3.23Å; S491-D497 WeakPolarHBondContact CB-OD2 3.45Å; S491-D497 PolarHBondContact OG-OD2 3.47Å; P494-D497 PolarHBondContact O-N 3.47Å; T495-D497 VanDerWaalsContact C-N 3.34Å; T495-D497 PolarHBondContact O-N 3.35Å; D497-M499 PolarHBondContact O-N 2.84Å; D497-A500 PolarHBondContact O-N 3.02Å; D497-E501 WeakPolarHBondContact O-CB 3.34Å; D497-E501 WeakPolarHBondContact O-CG 3.48Å; D497-E501 PolarHBondContact O-N 3.37Å |
| 498 | L | 97.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61 | -44.5 | 176 | -173.3 | 57.5 | 0 | 0 | 0 | 111.9 | L328 W367 A369 I435 P494 T495 M496 E501 V502 | L328-L498 HydrophobicContact CB-CD2 3.8Å; L328-L498 HydrophobicContact CB-CG 4.39Å; L328-L498 HydrophobicContact CD2-CB 4.37Å; L328-L498 HydrophobicContact CD2-CD2 4.03Å; L328-L498 HydrophobicContact CD2-CG 3.71Å; L328-L498 HydrophobicContact CG-CD2 3.83Å; L328-L498 HydrophobicContact CG-CG 3.87Å; W367-L498 HydrophobicContact CB-CD1 3.98Å; W367-L498 HydrophobicContact CB-CG 4.46Å; W367-L498 HydrophobicContact CE3-CD1 3.98Å; A369-L498 HydrophobicContact CB-CB 3.88Å; A369-L498 HydrophobicContact CB-CD1 4.03Å; A369-L498 HydrophobicContact CB-CD2 3.95Å; A369-L498 HydrophobicContact CB-CG 4.16Å; I435-L498 HydrophobicContact CD1-CD1 3.72Å; I435-L498 HydrophobicContact CG1-CD1 4.19Å; P494-L498 WeakPolarHBondContact O-CB 3.24Å; P494-L498 PolarHBondContact O-N 2.91Å; T495-L498 WeakPolarHBondContact O-CB 3.5Å; T495-L498 PolarHBondContact O-N 3.14Å; M496-L498 VanDerWaalsContact C-N 3.33Å; L498-E501 PolarHBondContact O-N 2.73Å; L498-V502 WeakPolarHBondContact O-CG2 3.3Å; L498-V502 PolarHBondContact O-N 2.6Å; L498-V502 VanDerWaalsContact O-N 3.13Å |
| 499 | M | 96.6 | Very high | 93.7 | Very high | 11 Ų | 11 | 30.7 Ų | 30.7 | 5% | 0.054 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.3 | -44.2 | 175 | -68.4 | 172 | 65.6 | 0 | 0 | 111.8 | L328 T495 M496 D497 E501 V502 M503 L527 V530 W589 C590 L593 | L328-M499 HydrophobicContact CD2-CG 3.88Å; T495-M499 HydrophobicContact CG2-SD 4.43Å; T495-M499 WeakPolarHBondContact O-CG 3.36Å; T495-M499 PolarHBondContact O-N 3.47Å; M496-M499 PolarHBondContact O-N 3.41Å; D497-M499 PolarHBondContact O-N 2.84Å; M499-E501 PolarHBondContact O-N 3.49Å; M499-V502 PolarHBondContact O-N 3.19Å; M499-M503 WeakPolarHBondContact O-CG 3.06Å; M499-M503 PolarHBondContact O-N 3.33Å; M499-L527 HydrophobicContact CE-CD1 4.19Å; M499-V530 HydrophobicContact CG-CG2 4.38Å; M499-V530 HydrophobicContact SD-CG2 4.49Å; M499-W589 HydrophobicContact CE-CB 3.95Å; M499-C590 VanDerWaalsContact CE-SG 3.56Å; M499-L593 HydrophobicContact CE-CD1 4.28Å |
| 500 | A | 95.5 | Very high | 94 | Very high | 38 Ų | 38 | 30.4 Ų | 30.4 | 31% | 0.314 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -61.1 | -36.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | M496 D497 M503 R504 | M496-A500 WeakPolarHBondContact O-CB 2.97Å; M496-A500 PolarHBondContact O-N 3.3Å; D497-A500 PolarHBondContact O-N 3.02Å; A500-M503 PolarHBondContact O-N 3.09Å; A500-R504 WeakPolarHBondContact O-CG 3.43Å; A500-R504 PolarHBondContact O-N 3.04Å |
| 501 | E | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72.6 | -35.6 | -179.3 | -73.4 | -81.8 | 126.1 | 0 | 0 | 112.8 | W367 I435 L450 R452 Y454 Y468 D497 L498 M499 M503 R504 F505 | W367-E501 HydrophobicContact CZ3-CB 4.22Å; I435-E501 HydrophobicContact CD1-CB 3.4Å; I435-E501 VanDerWaalsContact CD1-CB 3.4Å; I435-E501 HydrophobicContact CD1-CG 3.54Å; L450-E501 HydrophobicContact CD1-CG 3.96Å; R452-E501 IonicContact CZ-OE1 2.93Å; R452-E501 IonicContact CZ-OE2 3.54Å; R452-E501 IonicContact NE-OE1 2.95Å; R452-E501 IonicContact NE-OE2 2.92Å; R452-E501 PolarHBondContact NE-OE2 2.87Å; R452-E501 IonicContact NH2-OE1 2.64Å; R452-E501 PolarHBondContact NH2-OE1 2.85Å; R452-E501 IonicContact NH2-OE2 3.77Å; R452-E501 PolarHBondContact NH2-OE2 3.28Å; Y454-E501 PolarHBondContact OH-OE2 3.02Å; Y468-E501 PolarHBondContact OH-OE1 3.3Å; Y468-E501 VanDerWaalsContact OH-OE1 3.06Å; Y468-E501 PolarHBondContact OH-OE2 3.33Å; D497-E501 WeakPolarHBondContact O-CB 3.34Å; D497-E501 WeakPolarHBondContact O-CG 3.48Å; D497-E501 PolarHBondContact O-N 3.37Å; L498-E501 PolarHBondContact O-N 2.73Å; M499-E501 PolarHBondContact O-N 3.49Å; E501-M503 VanDerWaalsContact C-N 3.31Å; E501-M503 PolarHBondContact O-N 3.47Å; E501-R504 PolarHBondContact O-N 3.32Å; E501-R504 WeakPolarHBondContact OE1-CD 3.41Å; E501-R504 IonicContact OE1-CZ 3.65Å; E501-R504 IonicContact OE1-NH1 3.21Å; E501-R504 PolarHBondContact OE1-NH1 3.48Å; E501-F505 WeakPolarHBondContact O-CB 3.21Å; E501-F505 PolarHBondContact O-N 2.84Å |
| 502 | V | 94.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.5 | -45.6 | 168.5 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | A326 L328 W367 L498 M499 F505 N506 L527 | A326-V502 HydrophobicContact CB-CG1 4.31Å; L328-V502 HydrophobicContact CD1-CG2 3.94Å; L328-V502 HydrophobicContact CD2-CG2 3.99Å; L328-V502 HydrophobicContact CG-CG2 4.23Å; W367-V502 HydrophobicContact CB-CG2 4.47Å; W367-V502 HydrophobicContact CD2-CG2 3.53Å; W367-V502 HydrophobicContact CE3-CG2 3.85Å; W367-V502 HydrophobicContact CG-CG2 3.83Å; W367-V502 HydrophobicContact CH2-CG2 4.29Å; W367-V502 HydrophobicContact CZ2-CB 4.39Å; W367-V502 HydrophobicContact CZ2-CG2 4.02Å; W367-V502 HydrophobicContact CZ3-CG2 4.2Å; L498-V502 WeakPolarHBondContact O-CG2 3.3Å; L498-V502 PolarHBondContact O-N 2.6Å; L498-V502 VanDerWaalsContact O-N 3.13Å; M499-V502 PolarHBondContact O-N 3.19Å; V502-F505 PolarHBondContact O-N 2.75Å; V502-N506 WeakPolarHBondContact O-CB 3.12Å; V502-N506 PolarHBondContact O-N 2.9Å; V502-L527 HydrophobicContact CB-CD2 4.11Å; V502-L527 HydrophobicContact CG1-CD2 3.82Å; V502-L527 HydrophobicContact CG1-CG 4.48Å; V502-L527 HydrophobicContact CG2-CD2 4.08Å |
| 503 | M | 93.7 | Very high | 93.5 | Very high | 82 Ų | 82 | 33 Ų | 33 | 40% | 0.404 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -64.6 | -41.7 | 179.5 | -64.8 | -60.8 | 146.1 | 0 | 0 | 111.9 | M499 A500 E501 N506 A507 L527 | M499-M503 WeakPolarHBondContact O-CG 3.06Å; M499-M503 PolarHBondContact O-N 3.33Å; A500-M503 PolarHBondContact O-N 3.09Å; E501-M503 VanDerWaalsContact C-N 3.31Å; E501-M503 PolarHBondContact O-N 3.47Å; M503-N506 PolarHBondContact O-N 3.15Å; M503-A507 VanDerWaalsContact O-CB 3.32Å; M503-A507 WeakPolarHBondContact O-CB 3.47Å; M503-A507 PolarHBondContact O-N 3.13Å; M503-L527 HydrophobicContact CE-CD1 3.48Å; M503-L527 VanDerWaalsContact CE-CD1 3.48Å; M503-L527 HydrophobicContact CE-CD2 4.48Å; M503-L527 HydrophobicContact CE-CG 3.64Å |
| 504 | R | 93.8 | Very high | 93.2 | Very high | 133 Ų | 133 | 40.3 Ų | 40.3 | 50% | 0.502 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.6 | -42.7 | 174.6 | -75.6 | 175.4 | 178.5 | 162.2 | 0.3 | 112.1 | A500 E501 A507 A508 | A500-R504 WeakPolarHBondContact O-CG 3.43Å; A500-R504 PolarHBondContact O-N 3.04Å; E501-R504 PolarHBondContact O-N 3.32Å; E501-R504 WeakPolarHBondContact OE1-CD 3.41Å; E501-R504 IonicContact OE1-CZ 3.65Å; E501-R504 IonicContact OE1-NH1 3.21Å; E501-R504 PolarHBondContact OE1-NH1 3.48Å; R504-A507 PolarHBondContact O-N 3.02Å; R504-A508 WeakPolarHBondContact O-CB 3.44Å; R504-A508 PolarHBondContact O-N 3.24Å |
| 505 | F | 93.7 | Very high | 92.7 | Very high | 14 Ų | 14 | 44.7 Ų | 44.7 | 6% | 0.061 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.7 | -47.3 | 176.9 | -172.7 | -84.7 | 0 | 0 | 0 | 111.5 | W367 K433 Y454 L456 P457 E501 V502 A507 A508 T509 | W367-F505 HydrophobicContact CH2-CB 3.6Å; W367-F505 HydrophobicContact CH2-CD2 4.19Å; W367-F505 AromaticContact CH2-CG 3.89Å; W367-F505 HydrophobicContact CH2-CG 3.89Å; W367-F505 HydrophobicContact CZ2-CB 3.91Å; W367-F505 HydrophobicContact CZ2-CD1 4.2Å; W367-F505 HydrophobicContact CZ2-CD2 4.47Å; W367-F505 AromaticContact CZ2-CG 3.94Å; W367-F505 HydrophobicContact CZ2-CG 3.94Å; K433-F505 HydrophobicContact CD-CD2 4.46Å; K433-F505 HydrophobicContact CD-CE2 4.38Å; K433-F505 VanDerWaalsContact CE-CZ 3.42Å; Y454-F505 AromaticContact CD2-CD2 3.95Å; Y454-F505 HydrophobicContact CD2-CD2 3.95Å; Y454-F505 HydrophobicContact CD2-CE2 4.11Å; Y454-F505 AromaticContact CE2-CD2 3.79Å; Y454-F505 HydrophobicContact CE2-CD2 3.79Å; Y454-F505 HydrophobicContact CE2-CE2 4.41Å; L456-F505 HydrophobicContact CD2-CB 4.31Å; L456-F505 HydrophobicContact CD2-CD2 4.11Å; P457-F505 HydrophobicContact CG-CE2 4.49Å; P457-F505 HydrophobicContact CG-CZ 4.31Å; E501-F505 WeakPolarHBondContact O-CB 3.21Å; E501-F505 PolarHBondContact O-N 2.84Å; V502-F505 PolarHBondContact O-N 2.75Å; F505-A507 PolarHBondContact O-N 3.47Å; F505-A508 PolarHBondContact O-N 3.08Å; F505-T509 PolarHBondContact O-N 3.35Å; F505-T509 PolarHBondContact O-OG1 3.34Å |
| 506 | N | 92.6 | Very high | 92.2 | Very high | 18 Ų | 18 | 47.8 Ų | 47.8 | 10% | 0.096 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.1 | -44.2 | 175.9 | -73.7 | -15.3 | 0 | 0 | 0 | 112 | V502 M503 T509 I510 I524 A525 | V502-N506 WeakPolarHBondContact O-CB 3.12Å; V502-N506 PolarHBondContact O-N 2.9Å; M503-N506 PolarHBondContact O-N 3.15Å; N506-T509 PolarHBondContact O-N 2.82Å; N506-I510 WeakPolarHBondContact O-CG1 3.42Å; N506-I510 PolarHBondContact O-N 3.43Å; N506-I524 HydrophobicContact CB-CG2 4.29Å; N506-A525 PolarHBondContact ND2-O 3.49Å; N506-A525 PolarHBondContact OD1-N 3.07Å |
| 507 | A | 92.6 | Very high | 91.4 | Very high | 56 Ų | 56 | 49.5 Ų | 49.5 | 46% | 0.463 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | M503 R504 F505 I510 F511 | M503-A507 VanDerWaalsContact O-CB 3.32Å; M503-A507 WeakPolarHBondContact O-CB 3.47Å; M503-A507 PolarHBondContact O-N 3.13Å; R504-A507 PolarHBondContact O-N 3.02Å; F505-A507 PolarHBondContact O-N 3.47Å; A507-I510 PolarHBondContact O-N 3.5Å; A507-F511 WeakPolarHBondContact O-CB 3.31Å; A507-F511 PolarHBondContact O-N 3.07Å |
| 508 | A | 92.3 | Very high | 90.4 | Very high | 9 Ų | 9 | 51.3 Ų | 51.3 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L456 L458 R504 F505 I510 F511 A512 | L456-A508 HydrophobicContact CB-CB 4.08Å; L456-A508 HydrophobicContact CD1-CB 4.1Å; L456-A508 HydrophobicContact CD2-CB 3.95Å; L456-A508 HydrophobicContact CG-CB 4.27Å; L458-A508 HydrophobicContact CD1-CB 3.92Å; L458-A508 HydrophobicContact CG-CB 4.12Å; R504-A508 WeakPolarHBondContact O-CB 3.44Å; R504-A508 PolarHBondContact O-N 3.24Å; F505-A508 PolarHBondContact O-N 3.08Å; A508-I510 PolarHBondContact O-N 3.05Å; A508-F511 PolarHBondContact O-N 3.2Å; A508-A512 WeakPolarHBondContact O-CB 3.48Å; A508-A512 PolarHBondContact O-N 3.41Å |
| 509 | T | 90.7 | Very high | 88.6 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 3% | 0.025 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 174.8 | -50.8 | 0 | 0 | 0 | 0 | 111.7 | P457 F505 N506 A512 D513 I524 | P457-T509 VanDerWaalsContact CG-OG1 3.29Å; P457-T509 WeakPolarHBondContact CG-OG1 3.44Å; F505-T509 PolarHBondContact O-N 3.35Å; F505-T509 PolarHBondContact O-OG1 3.34Å; N506-T509 PolarHBondContact O-N 2.82Å; T509-A512 PolarHBondContact O-N 2.98Å; T509-D513 WeakPolarHBondContact O-CB 3.35Å; T509-D513 PolarHBondContact O-N 2.97Å; T509-D513 VanDerWaalsContact O-N 3.07Å; T509-I524 HydrophobicContact CG2-CD1 4.14Å; T509-I524 HydrophobicContact CG2-CG1 3.72Å |
| 510 | I | 89.8 | Confident | 87 | Confident | 69 Ų | 69 | 60.2 Ų | 60.2 | 35% | 0.354 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 177.4 | -66.5 | 166.4 | 0 | 0 | 0 | 111.1 | N506 A507 A508 K514 I524 | N506-I510 WeakPolarHBondContact O-CG1 3.42Å; N506-I510 PolarHBondContact O-N 3.43Å; A507-I510 PolarHBondContact O-N 3.5Å; A508-I510 PolarHBondContact O-N 3.05Å; I510-K514 HydrophobicContact CG2-CD 3.82Å; I510-K514 HydrophobicContact CG2-CG 4.28Å; I510-K514 WeakPolarHBondContact O-CB 3.35Å; I510-K514 WeakPolarHBondContact O-CG 3.43Å; I510-K514 PolarHBondContact O-N 3.15Å; I510-I524 HydrophobicContact CD1-CD1 4.26Å; I510-I524 HydrophobicContact CG1-CD1 3.55Å |
| 511 | F | 90.2 | Very high | 85.3 | Confident | 90 Ų | 90 | 68.5 Ų | 68.5 | 40% | 0.395 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 178.1 | 179.2 | -99.5 | 0 | 0 | 0 | 111.6 | L458 A507 A508 D513 V515 L516 | L458-F511 HydrophobicContact CD2-CD1 3.96Å; A507-F511 WeakPolarHBondContact O-CB 3.31Å; A507-F511 PolarHBondContact O-N 3.07Å; A508-F511 PolarHBondContact O-N 3.2Å; F511-D513 PolarHBondContact O-N 2.96Å; F511-V515 HydrophobicContact CD2-CB 3.89Å; F511-V515 HydrophobicContact CD2-CG1 4.34Å; F511-V515 HydrophobicContact CD2-CG2 3.66Å; F511-V515 HydrophobicContact CE2-CB 3.8Å; F511-V515 HydrophobicContact CE2-CG1 3.73Å; F511-V515 HydrophobicContact CE2-CG2 3.87Å; F511-V515 HydrophobicContact CG-CB 4.44Å; F511-V515 HydrophobicContact CG-CG2 4.45Å; F511-V515 HydrophobicContact CZ-CB 4.28Å; F511-V515 HydrophobicContact CZ-CG1 4.05Å; F511-V515 WeakPolarHBondContact O-CA 3.2Å; F511-V515 VanDerWaalsContact O-CB 3.23Å; F511-V515 WeakPolarHBondContact O-CB 3.39Å; F511-V515 PolarHBondContact O-N 3.18Å; F511-L516 HydrophobicContact CD1-CD1 4.18Å; F511-L516 HydrophobicContact CD1-CG 4.23Å; F511-L516 HydrophobicContact CE1-CD1 3.92Å; F511-L516 HydrophobicContact CE1-CD2 4.04Å; F511-L516 HydrophobicContact CE1-CG 3.87Å; F511-L516 HydrophobicContact CZ-CD2 4.39Å; F511-L516 PolarHBondContact O-N 3.38Å |
| 512 | A | 88.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 39% | 0.386 | C | S | . | . | I | π-helix | trans | -59.8 | -46.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P457 L458 A508 T509 L516 S517 D518 I520 | P457-A512 WeakPolarHBondContact O-CB 3.2Å; L458-A512 HydrophobicContact CD2-CB 4.02Å; A508-A512 WeakPolarHBondContact O-CB 3.48Å; A508-A512 PolarHBondContact O-N 3.41Å; T509-A512 PolarHBondContact O-N 2.98Å; A512-L516 CarbonylContact O-C 3.54Å; A512-L516 WeakPolarHBondContact O-CB 3.32Å; A512-L516 PolarHBondContact O-N 3.42Å; A512-S517 PolarHBondContact O-N 2.94Å; A512-D518 HydrophobicContact CB-CB 4.45Å; A512-D518 PolarHBondContact O-N 3.1Å; A512-D518 VanDerWaalsContact O-N 3.08Å; A512-I520 HydrophobicContact CB-CD1 3.52Å; A512-I520 HydrophobicContact CB-CG1 4.36Å |
| 513 | D | 86.1 | Confident | 82.6 | Confident | 64 Ų | 64 | 82.8 Ų | 82.8 | 34% | 0.342 | 41% | 0.411 | S | S | . | . | I | π-helix | trans | -65.4 | -52.3 | -180 | -178.7 | 52.5 | 0 | 0 | 0 | 112.1 | T509 F511 | T509-D513 WeakPolarHBondContact O-CB 3.35Å; T509-D513 PolarHBondContact O-N 2.97Å; T509-D513 VanDerWaalsContact O-N 3.07Å; F511-D513 PolarHBondContact O-N 2.96Å |
| 514 | K | 87.1 | Confident | 81.9 | Confident | 159 Ų | 159 | 81.4 Ų | 81.4 | 69% | 0.691 | 41% | 0.405 | S | S | * | . | I | π-helix | trans | -85.7 | -28.7 | -170.6 | -65.5 | -171.8 | 179.3 | -179.3 | 0 | 114.8 | I510 | I510-K514 HydrophobicContact CG2-CD 3.82Å; I510-K514 HydrophobicContact CG2-CG 4.28Å; I510-K514 WeakPolarHBondContact O-CB 3.35Å; I510-K514 WeakPolarHBondContact O-CG 3.43Å; I510-K514 PolarHBondContact O-N 3.15Å |
| 515 | V | 86.8 | Confident | 81.4 | Confident | 92 Ų | 92 | 75.7 Ų | 75.7 | 56% | 0.558 | 39% | 0.386 | S | S | * | . | I | π-helix | trans | -109.3 | -46.9 | -171.9 | -173.8 | 0 | 0 | 0 | 0 | 111 | F511 S517 | F511-V515 HydrophobicContact CD2-CB 3.89Å; F511-V515 HydrophobicContact CD2-CG1 4.34Å; F511-V515 HydrophobicContact CD2-CG2 3.66Å; F511-V515 HydrophobicContact CE2-CB 3.8Å; F511-V515 HydrophobicContact CE2-CG1 3.73Å; F511-V515 HydrophobicContact CE2-CG2 3.87Å; F511-V515 HydrophobicContact CG-CB 4.44Å; F511-V515 HydrophobicContact CG-CG2 4.45Å; F511-V515 HydrophobicContact CZ-CB 4.28Å; F511-V515 HydrophobicContact CZ-CG1 4.05Å; F511-V515 WeakPolarHBondContact O-CA 3.2Å; F511-V515 VanDerWaalsContact O-CB 3.23Å; F511-V515 WeakPolarHBondContact O-CB 3.39Å; F511-V515 PolarHBondContact O-N 3.18Å; V515-S517 VanDerWaalsContact C-N 3.33Å |
| 516 | L | 86.2 | Confident | 81.2 | Confident | 66 Ų | 66 | 79.1 Ų | 79.1 | 35% | 0.346 | 40% | 0.402 | S | S | . | . | I | π-helix | trans | -83.4 | -12.5 | 179.6 | -55.4 | -179.7 | 0 | 0 | 0 | 112.7 | L458 L462 F511 A512 D518 | L458-L516 HydrophobicContact CD2-CD1 4.12Å; L462-L516 HydrophobicContact CD1-CD1 3.94Å; F511-L516 HydrophobicContact CD1-CD1 4.18Å; F511-L516 HydrophobicContact CD1-CG 4.23Å; F511-L516 HydrophobicContact CE1-CD1 3.92Å; F511-L516 HydrophobicContact CE1-CD2 4.04Å; F511-L516 HydrophobicContact CE1-CG 3.87Å; F511-L516 HydrophobicContact CZ-CD2 4.39Å; F511-L516 PolarHBondContact O-N 3.38Å; A512-L516 CarbonylContact O-C 3.54Å; A512-L516 WeakPolarHBondContact O-CB 3.32Å; A512-L516 PolarHBondContact O-N 3.42Å; L516-D518 PolarHBondContact O-N 3.1Å |
| 517 | S | 80.2 | Confident | 81.1 | Confident | 96 Ų | 96 | 78.8 Ų | 78.8 | 67% | 0.671 | 40% | 0.401 | S | S | * | . | trans | 57.9 | 23.8 | -174.1 | -52.2 | 0 | 0 | 0 | 0 | 113.4 | A512 V515 T519 | A512-S517 PolarHBondContact O-N 2.94Å; V515-S517 VanDerWaalsContact C-N 3.33Å; S517-T519 PolarHBondContact O-N 2.98Å | ||
| 518 | D | 75.1 | Confident | 81.1 | Confident | 75 Ų | 75 | 76.1 Ų | 76.1 | 40% | 0.401 | 38% | 0.378 | S | S | . | . | trans | -75.8 | 120.2 | 173.9 | -75.9 | -24.9 | 0 | 0 | 0 | 108.2 | A512 L516 I520 | A512-D518 HydrophobicContact CB-CB 4.45Å; A512-D518 PolarHBondContact O-N 3.1Å; A512-D518 VanDerWaalsContact O-N 3.08Å; L516-D518 PolarHBondContact O-N 3.1Å; D518-I520 HydrophobicContact CB-CD1 4.1Å; D518-I520 HydrophobicContact CB-CG1 3.86Å; D518-I520 PolarHBondContact O-N 3.44Å | ||
| 519 | T | 59.9 | Low | 81.2 | Confident | 146 Ų | 146 | 75.7 Ų | 75.7 | 90% | 0.896 | 38% | 0.375 | S | S | * | . | trans | -75.1 | 73.5 | 179.4 | -23 | 0 | 0 | 0 | 0 | 110.4 | S517 | S517-T519 PolarHBondContact O-N 2.98Š| ||
| 520 | I | 63 | Low | 81.4 | Confident | 53 Ų | 53 | 75.6 Ų | 75.6 | 27% | 0.272 | 37% | 0.374 | S | S | . | . | trans | -88.3 | 137.1 | 179.3 | -50.8 | -172.6 | 0 | 0 | 0 | 108.9 | P457 A512 D518 R522 | P457-I520 HydrophobicContact CB-CD1 3.82Å; P457-I520 HydrophobicContact CB-CG2 4.08Å; P457-I520 WeakPolarHBondContact O-CD1 3.43Å; A512-I520 HydrophobicContact CB-CD1 3.52Å; A512-I520 HydrophobicContact CB-CG1 4.36Å; D518-I520 HydrophobicContact CB-CD1 4.1Å; D518-I520 HydrophobicContact CB-CG1 3.86Å; D518-I520 PolarHBondContact O-N 3.44Å; I520-R522 PolarHBondContact O-N 3.48Å | ||
| 521 | R | 58.7 | Low | 81.6 | Confident | 212 Ų | 212 | 72.3 Ų | 72.3 | 80% | 0.8 | 36% | 0.358 | S | S | * | . | trans | -50.1 | 134.9 | 169.3 | -101.2 | -175.3 | 179.7 | -180 | 0.4 | 109.4 | D523 | R521-D523 PolarHBondContact O-N 2.86Š| ||
| 522 | R | 63.2 | Low | 81.9 | Confident | 203 Ų | 203 | 68 Ų | 68 | 77% | 0.766 | 34% | 0.339 | S | S | * | . | trans | -69.1 | 79 | 174.6 | -67 | -178.7 | -178.3 | 158.9 | 1.4 | 110.1 | I520 I524 | I520-R522 PolarHBondContact O-N 3.48Å; R522-I524 PolarHBondContact O-N 3.13Å | ||
| 523 | D | 69.5 | Low | 82 | Confident | 97 Ų | 97 | 68.1 Ų | 68.1 | 52% | 0.519 | 34% | 0.339 | S | S | . | . | trans | -87.3 | 26.2 | 167.3 | -68.5 | -3 | 0 | 0 | 0 | 110.7 | R521 A525 | R521-D523 PolarHBondContact O-N 2.86Å; D523-A525 PolarHBondContact O-N 3.37Å | ||
| 524 | I | 79.6 | Confident | 82.3 | Confident | 54 Ų | 54 | 65 Ų | 65 | 28% | 0.277 | 32% | 0.323 | S | S | . | . | trans | -73.1 | 121.4 | 172.6 | -62.8 | 167.7 | 0 | 0 | 0 | 106.8 | P324 N506 T509 I510 R522 | P324-I524 WeakPolarHBondContact CG-O 3.49Å; N506-I524 HydrophobicContact CB-CG2 4.29Å; T509-I524 HydrophobicContact CG2-CD1 4.14Å; T509-I524 HydrophobicContact CG2-CG1 3.72Å; I510-I524 HydrophobicContact CD1-CD1 4.26Å; I510-I524 HydrophobicContact CG1-CD1 3.55Å; R522-I524 PolarHBondContact O-N 3.13Å | ||
| 525 | A | 84.2 | Confident | 82.3 | Confident | 13 Ų | 13 | 57.5 Ų | 57.5 | 11% | 0.107 | 29% | 0.29 | C | S | . | . | trans | -123.5 | 133.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | P324 A326 N506 D523 | P324-A525 HydrophobicContact CB-CB 4.3Å; P324-A525 WeakPolarHBondContact O-CA 3.2Å; A326-A525 HydrophobicContact CB-CB 3.82Å; N506-A525 PolarHBondContact ND2-O 3.49Å; N506-A525 PolarHBondContact OD1-N 3.07Å; D523-A525 PolarHBondContact O-N 3.37Å | ||
| 526 | E | 87.9 | Confident | 82.3 | Confident | 85 Ų | 85 | 53.1 Ų | 53.1 | 40% | 0.397 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 153.2 | 171 | -72.8 | 177 | -176.5 | 0 | 0 | 109.2 | K323 P324 Y325 A326 G528 | K323-E526 WeakPolarHBondContact CD-OE2 3.5Å; K323-E526 IonicContact NZ-OE1 2.81Å; K323-E526 PolarHBondContact NZ-OE1 3.13Å; K323-E526 IonicContact NZ-OE2 3.41Å; K323-E526 PolarHBondContact NZ-OE2 2.97Å; P324-E526 PolarHBondContact O-N 3.25Å; P324-E526 VanDerWaalsContact O-N 3.11Å; Y325-E526 CarbonylContact C-O 3.24Å; Y325-E526 VanDerWaalsContact CA-O 3.29Å; Y325-E526 WeakPolarHBondContact CA-O 3.34Å; Y325-E526 HydrophobicContact CD1-CB 4.13Å; Y325-E526 HydrophobicContact CE1-CB 4.16Å; A326-E526 PolarHBondContact N-O 3.48Å; E526-G528 PolarHBondContact O-N 3.19Å |
| 527 | L | 92.3 | Very high | 82.2 | Confident | 11 Ų | 11 | 52.4 Ų | 52.4 | 6% | 0.058 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 125.2 | 175.2 | -71.6 | 176 | 0 | 0 | 0 | 109.7 | L328 M499 V502 M503 L593 V595 | L328-L527 HydrophobicContact CD1-CD2 3.51Å; L328-L527 HydrophobicContact CD2-CD2 3.72Å; L328-L527 HydrophobicContact CG-CD2 4.27Å; M499-L527 HydrophobicContact CE-CD1 4.19Å; V502-L527 HydrophobicContact CB-CD2 4.11Å; V502-L527 HydrophobicContact CG1-CD2 3.82Å; V502-L527 HydrophobicContact CG1-CG 4.48Å; V502-L527 HydrophobicContact CG2-CD2 4.08Å; M503-L527 HydrophobicContact CE-CD1 3.48Å; M503-L527 VanDerWaalsContact CE-CD1 3.48Å; M503-L527 HydrophobicContact CE-CD2 4.48Å; M503-L527 HydrophobicContact CE-CG 3.64Å; L527-L593 HydrophobicContact CD1-CD1 3.98Å; L527-V595 HydrophobicContact CB-CG1 4.11Å; L527-V595 HydrophobicContact CB-CG2 3.61Å; L527-V595 HydrophobicContact CD1-CG2 4.39Å |
| 528 | G | 91.6 | Very high | 82.3 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -79.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | H314 A326 N327 E526 P596 | H314-G528 PolarHBondContact CE1-O 2.79Å; H314-G528 VanDerWaalsContact CE1-O 3.29Å; A326-G528 PolarHBondContact O-N 3.18Å; N327-G528 WeakPolarHBondContact OD1-CA 3.31Å; E526-G528 PolarHBondContact O-N 3.19Å; G528-P596 WeakPolarHBondContact O-CD 3.48Å |
| 529 | C | 93.6 | Very high | 82.7 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 159.9 | 168 | 66.8 | 0 | 0 | 0 | 0 | 111.1 | N327 L328 P596 L642 | N327-C529 PolarHBondContact OD1-N 3.28Å; N327-C529 VanDerWaalsContact OD1-N 3.14Å; L328-C529 PolarHBondContact N-O 3.08Å; C529-P596 WeakPolarHBondContact CA-O 3.45Å; C529-P596 HydrophobicContact CB-CB 4.29Å; C529-L642 HydrophobicContact CB-CD1 4.14Å |
| 530 | V | 96.2 | Very high | 83.5 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 120.5 | 176.8 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | L328 T495 M499 V595 P596 Y597 F598 | L328-V530 HydrophobicContact CB-CG1 4.49Å; L328-V530 HydrophobicContact CB-CG2 4.25Å; L328-V530 HydrophobicContact CD2-CG2 4.2Å; T495-V530 HydrophobicContact CG2-CG1 3.5Å; M499-V530 HydrophobicContact CG-CG2 4.38Å; M499-V530 HydrophobicContact SD-CG2 4.49Å; V530-V595 HydrophobicContact CG2-CG1 3.89Å; V530-P596 PolarHBondContact N-O 3.11Å; V530-Y597 HydrophobicContact CB-CD2 3.9Å; V530-Y597 HydrophobicContact CG1-CD2 3.66Å; V530-Y597 HydrophobicContact CG1-CE2 3.86Å; V530-Y597 CarbonylContact O-C 3.5Å; V530-Y597 WeakPolarHBondContact O-CA 3.49Å; V530-F598 PolarHBondContact O-N 3.28Å |
| 531 | V | 94.5 | Very high | 83.9 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 116.9 | 176.5 | -180 | 0 | 0 | 0 | 0 | 109.2 | L328 I329 S330 F348 F365 I533 F598 F600 L639 | L328-V531 PolarHBondContact O-N 3.37Å; I329-V531 CarbonylContact C-O 3.51Å; I329-V531 VanDerWaalsContact CA-O 3.23Å; I329-V531 WeakPolarHBondContact CA-O 3.49Å; I329-V531 HydrophobicContact CB-CB 4.41Å; I329-V531 HydrophobicContact CD1-CG1 4.36Å; I329-V531 HydrophobicContact CG1-CB 4.25Å; I329-V531 HydrophobicContact CG1-CG1 4.26Å; S330-V531 PolarHBondContact N-O 3.06Å; S330-V531 PolarHBondContact OG-O 3.48Å; F348-V531 HydrophobicContact CZ-CG1 4.46Å; F365-V531 HydrophobicContact CE1-CB 4.12Å; F365-V531 HydrophobicContact CE1-CG2 3.76Å; F365-V531 HydrophobicContact CZ-CB 4.37Å; F365-V531 HydrophobicContact CZ-CG2 3.86Å; V531-I533 HydrophobicContact CG1-CD1 4.37Å; V531-I533 HydrophobicContact CG1-CG1 4.03Å; V531-F598 HydrophobicContact CG2-CB 4.31Å; V531-F598 HydrophobicContact CG2-CD2 4.28Å; V531-F600 HydrophobicContact CG1-CD2 3.98Å; V531-F600 HydrophobicContact CG1-CE2 4.02Å; V531-L639 HydrophobicContact CG2-CD1 3.67Å; V531-L639 HydrophobicContact CG2-CD2 4.12Å |
| 532 | S | 94.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 119.7 | 176.7 | 179.1 | 0 | 0 | 0 | 0 | 110.2 | S330 T495 Y597 F598 R599 F600 | S330-S532 WeakPolarHBondContact OG-CA 3.41Å; T495-S532 WeakPolarHBondContact OG1-CB 3.32Å; T495-S532 PolarHBondContact OG1-OG 3.03Å; T495-S532 VanDerWaalsContact OG1-OG 3.1Å; S532-Y597 WeakPolarHBondContact CB-OH 3.36Å; S532-F598 PolarHBondContact N-O 3.29Å; S532-R599 WeakPolarHBondContact O-CA 3.47Å; S532-R599 PolarHBondContact OG-NH1 3.08Å; S532-F600 PolarHBondContact O-N 2.86Å |
| 533 | I | 92.5 | Very high | 84.7 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 121.5 | -178 | -53.3 | -174.4 | 0 | 0 | 0 | 109.8 | I329 S330 F331 D332 M341 F348 L350 L353 V531 F600 | I329-I533 HydrophobicContact CD1-CD1 3.81Å; I329-I533 HydrophobicContact CG1-CD1 4.25Å; S330-I533 PolarHBondContact O-N 2.62Å; F331-I533 HydrophobicContact CD1-CB 4.09Å; F331-I533 HydrophobicContact CD1-CD1 4.36Å; F331-I533 HydrophobicContact CE1-CB 4.37Å; F331-I533 HydrophobicContact CE1-CD1 3.76Å; F331-I533 HydrophobicContact CE1-CG1 4.45Å; F331-I533 HydrophobicContact CZ-CD1 4.47Å; D332-I533 PolarHBondContact N-O 3.47Å; M341-I533 HydrophobicContact CB-CG2 3.81Å; M341-I533 HydrophobicContact CG-CG2 3.82Å; M341-I533 HydrophobicContact SD-CG2 4.33Å; F348-I533 HydrophobicContact CE1-CD1 4.03Å; F348-I533 HydrophobicContact CE1-CG1 4.19Å; F348-I533 HydrophobicContact CE1-CG2 4.47Å; F348-I533 HydrophobicContact CZ-CD1 3.86Å; F348-I533 HydrophobicContact CZ-CG1 4.13Å; L350-I533 HydrophobicContact CD2-CD1 4.24Å; L353-I533 HydrophobicContact CD1-CD1 4.4Å; V531-I533 HydrophobicContact CG1-CD1 4.37Å; V531-I533 HydrophobicContact CG1-CG1 4.03Å; I533-F600 WeakPolarHBondContact CA-O 3.32Å |
| 534 | G | 91.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -100.8 | 150.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D332 M341 G536 F600 | D332-G534 WeakPolarHBondContact OD2-CA 3.35Å; M341-G534 WeakPolarHBondContact CG-O 3.27Å; G534-G536 PolarHBondContact O-N 2.95Å; G534-G536 VanDerWaalsContact O-N 3.09Å; G534-F600 PolarHBondContact N-O 2.95Å | ||
| 535 | A | 88.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -75.6 | 12 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R337 S340 M341 | R337-A535 HydrophobicContact CB-CB 4.24Å; R337-A535 WeakPolarHBondContact CB-O 3.47Å; R337-A535 VanDerWaalsContact O-O 3.09Å; S340-A535 PolarHBondContact OG-O 3.23Å; M341-A535 HydrophobicContact CE-CB 4.19Å; M341-A535 HydrophobicContact CG-CB 4.5Å |
| 536 | G | 85.9 | Confident | 83.8 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | trans | 95.2 | 140.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G534 P538 P602 | G534-G536 PolarHBondContact O-N 2.95Å; G534-G536 VanDerWaalsContact O-N 3.09Å; G536-P538 WeakPolarHBondContact O-CD 3.5Å; G536-P602 CarbonylContact C-O 3.44Å; G536-P602 VanDerWaalsContact CA-O 3.25Å; G536-P602 WeakPolarHBondContact CA-O 3.38Å | ||
| 537 | I | 84.9 | Confident | 82.9 | Confident | 50 Ų | 50 | 53.1 Ų | 53.1 | 26% | 0.256 | 30% | 0.297 | S | S | . | . | B | Isolated β-bridge | trans | -91.7 | 110.9 | 179.9 | -55.8 | 170.8 | 0 | 0 | 0 | 107.8 | D579 A601 P602 L604 | I537-D579 HydrophobicContact CG1-CB 4.39Å; I537-A601 HydrophobicContact CD1-CB 4.11Å; I537-A601 HydrophobicContact CG1-CB 4.01Å; I537-P602 PolarHBondContact N-O 3.43Å; I537-L604 WeakPolarHBondContact O-CB 3.32Å; I537-L604 WeakPolarHBondContact O-CG 3.32Å; I537-L604 PolarHBondContact O-N 3.42Å |
| 538 | P | 81.8 | Confident | 81.8 | Confident | 39 Ų | 39 | 58.6 Ų | 58.6 | 25% | 0.253 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -64 | 152.8 | 177 | 28.8 | -34.4 | 0 | 0 | 0 | 110.9 | G536 | G536-P538 WeakPolarHBondContact O-CD 3.5Š|
| 539 | P | 82.8 | Confident | 80.6 | Confident | 45 Ų | 45 | 66.4 Ų | 66.4 | 29% | 0.292 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 145 | 173.1 | 27.3 | -33.6 | 0 | 0 | 0 | 110 | F541 | P539-F541 PolarHBondContact O-N 3.17Š|
| 540 | P | 77.8 | Confident | 79.3 | Confident | 130 Ų | 130 | 73.2 Ų | 73.2 | 84% | 0.844 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 125.5 | 176.3 | 26.2 | -33 | 0 | 0 | 0 | 109.5 | ||
| 541 | F | 71.5 | Confident | 77.6 | Confident | 144 Ų | 144 | 75.4 Ų | 75.4 | 63% | 0.632 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -91 | 132.9 | 170.3 | 61 | -88.3 | 0 | 0 | 0 | 109.2 | P539 S543 | P539-F541 PolarHBondContact O-N 3.17Å; F541-S543 PolarHBondContact O-N 3.39Å |
| 542 | K | 70 | Confident | 76.4 | Confident | 216 Ų | 216 | 85.3 Ų | 85.3 | 94% | 0.939 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -73.9 | 121.9 | 169.6 | -71.2 | -174.9 | 179.3 | -179.5 | 0 | 108.2 | ||
| 543 | S | 69.1 | Low | 75.1 | Confident | 85 Ų | 85 | 89 Ų | 89 | 59% | 0.594 | 47% | 0.47 | S | S | * | . | trans | -118.2 | 147.8 | 167.1 | 59.1 | 0 | 0 | 0 | 0 | 109.4 | F541 | F541-S543 PolarHBondContact O-N 3.39Š| ||
| 544 | D | 71.6 | Confident | 74.1 | Confident | 153 Ų | 153 | 96.7 Ų | 96.7 | 82% | 0.818 | 51% | 0.511 | S | S | * | . | trans | -59.8 | 144.5 | 170.6 | -66.6 | -36 | 0 | 0 | 0 | 110.1 | I546 | D544-I546 PolarHBondContact O-N 2.99Š| ||
| 545 | A | 72.2 | Confident | 73 | Confident | 87 Ų | 87 | 106.2 Ų | 106.2 | 72% | 0.719 | 55% | 0.552 | S | S | * | * | trans | -61.7 | 126.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | N547 | A545-N547 PolarHBondContact O-N 3.15Å; A545-N547 VanDerWaalsContact O-N 3.09Å | ||
| 546 | I | 69.1 | Low | 71.9 | Confident | 37 Ų | 37 | 110.4 Ų | 110.4 | 19% | 0.19 | 57% | 0.572 | C | S | . | * | trans | -70.7 | 109.6 | 178.5 | -56.6 | 175 | 0 | 0 | 0 | 108.2 | D544 F548 V563 D566 F567 L570 | D544-I546 PolarHBondContact O-N 2.99Å; I546-F548 HydrophobicContact CB-CE2 4.15Å; I546-F548 HydrophobicContact CB-CZ 4.19Å; I546-F548 HydrophobicContact CG2-CD1 4.28Å; I546-F548 HydrophobicContact CG2-CD2 4.41Å; I546-F548 HydrophobicContact CG2-CE1 3.96Å; I546-F548 HydrophobicContact CG2-CE2 4.09Å; I546-F548 HydrophobicContact CG2-CG 4.5Å; I546-F548 HydrophobicContact CG2-CZ 3.86Å; I546-F548 WeakPolarHBondContact O-CD2 3.48Å; I546-F548 PolarHBondContact O-N 3.31Å; I546-V563 HydrophobicContact CG2-CG1 3.9Å; I546-D566 HydrophobicContact CD1-CB 3.91Å; I546-D566 WeakPolarHBondContact CD1-O 3.47Å; I546-D566 HydrophobicContact CG1-CB 4.13Å; I546-F567 HydrophobicContact CD1-CB 4.41Å; I546-L570 HydrophobicContact CD1-CB 3.95Å; I546-L570 HydrophobicContact CD1-CD2 3.95Å | ||
| 547 | N | 69 | Low | 71.2 | Confident | 113 Ų | 113 | 112.5 Ų | 112.5 | 60% | 0.604 | 59% | 0.589 | S | S | * | * | trans | -81 | 103.3 | 172.7 | -82 | -34.9 | 0 | 0 | 0 | 109.9 | A545 F549 | A545-N547 PolarHBondContact O-N 3.15Å; A545-N547 VanDerWaalsContact O-N 3.09Å; N547-F549 HydrophobicContact CB-CD2 4.16Å; N547-F549 PolarHBondContact O-N 3.3Å | ||
| 548 | F | 69.1 | Low | 70.5 | Confident | 127 Ų | 127 | 113.3 Ų | 113.3 | 56% | 0.557 | 60% | 0.603 | S | S | * | * | trans | -76 | 61.1 | 176.1 | -61.9 | -83.9 | 0 | 0 | 0 | 112.2 | I546 F567 | I546-F548 HydrophobicContact CB-CE2 4.15Å; I546-F548 HydrophobicContact CB-CZ 4.19Å; I546-F548 HydrophobicContact CG2-CD1 4.28Å; I546-F548 HydrophobicContact CG2-CD2 4.41Å; I546-F548 HydrophobicContact CG2-CE1 3.96Å; I546-F548 HydrophobicContact CG2-CE2 4.09Å; I546-F548 HydrophobicContact CG2-CG 4.5Å; I546-F548 HydrophobicContact CG2-CZ 3.86Å; I546-F548 WeakPolarHBondContact O-CD2 3.48Å; I546-F548 PolarHBondContact O-N 3.31Å; F548-F567 HydrophobicContact CE1-CB 4.16Å; F548-F567 AromaticContact CE1-CD2 3.35Å; F548-F567 HydrophobicContact CE1-CD2 3.35Å; F548-F567 AromaticContact CE1-CE2 3.73Å; F548-F567 HydrophobicContact CE1-CE2 3.73Å; F548-F567 AromaticContact CE1-CG 3.78Å; F548-F567 HydrophobicContact CE1-CG 3.78Å; F548-F567 HydrophobicContact CE1-CZ 4.47Å; F548-F567 AromaticContact CZ-CD2 3.41Å; F548-F567 HydrophobicContact CZ-CD2 3.41Å; F548-F567 VanDerWaalsContact CZ-CD2 3.41Å; F548-F567 AromaticContact CZ-CE2 3.72Å; F548-F567 HydrophobicContact CZ-CE2 3.72Å; F548-F567 HydrophobicContact CZ-CG 4.26Å | ||
| 549 | F | 67.2 | Low | 70 | Confident | 164 Ų | 164 | 116.5 Ų | 116.5 | 72% | 0.719 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 121.1 | 167 | -76.5 | -75.9 | 0 | 0 | 0 | 109.7 | N547 P551 | N547-F549 HydrophobicContact CB-CD2 4.16Å; N547-F549 PolarHBondContact O-N 3.3Å; F549-P551 WeakPolarHBondContact O-CD 3.33Å |
| 550 | L | 65.6 | Low | 69.7 | Low | 144 Ų | 144 | 118.8 Ų | 118.8 | 75% | 0.754 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 117.9 | 166.9 | -122.4 | 95.2 | 0 | 0 | 0 | 108.1 | K552 | L550-K552 PolarHBondContact O-N 3Š|
| 551 | P | 61 | Low | 69.7 | Low | 46 Ų | 46 | 117.9 Ų | 117.9 | 30% | 0.299 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -69.2 | 134.8 | 179.7 | 5 | 2.2 | 0 | 0 | 0 | 111 | F549 H556 Y560 | F549-P551 WeakPolarHBondContact O-CD 3.33Å; P551-H556 HydrophobicContact CB-CB 3.36Å; P551-H556 HydrophobicContact CG-CB 4.12Å; P551-Y560 VanDerWaalsContact CD-CD2 3.47Å; P551-Y560 HydrophobicContact CG-CD2 3.89Å; P551-Y560 HydrophobicContact CG-CG 4.01Å |
| 552 | K | 68.9 | Low | 70 | Confident | 209 Ų | 209 | 115.1 Ų | 115.1 | 91% | 0.909 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -78.9 | -14.4 | -179.5 | -65 | -175.8 | -179.9 | -179.7 | 0 | 114 | L550 | L550-K552 PolarHBondContact O-N 3Š|
| 553 | T | 68.3 | Low | 70.5 | Confident | 78 Ų | 78 | 106.5 Ų | 106.5 | 48% | 0.479 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -135.8 | 148.9 | -172.6 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | F555 H556 | T553-F555 VanDerWaalsContact C-N 3.25Å; T553-F555 PolarHBondContact O-N 3.49Å; T553-H556 PolarHBondContact O-N 3.43Å; T553-H556 VanDerWaalsContact O-N 3.08Å; T553-H556 PolarHBondContact OG1-CD2 3.42Å |
| 554 | L | 71.2 | Confident | 71 | Confident | 163 Ų | 163 | 106.8 Ų | 106.8 | 85% | 0.853 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -57.8 | -30.7 | -177.1 | -73.6 | 165.3 | 0 | 0 | 0 | 113.8 | H556 A557 | L554-H556 PolarHBondContact O-N 2.91Å; L554-A557 WeakPolarHBondContact O-CB 3.4Å; L554-A557 PolarHBondContact O-N 2.78Å |
| 555 | F | 66.9 | Low | 71.4 | Confident | 199 Ų | 199 | 104.9 Ų | 104.9 | 87% | 0.873 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -60.9 | -24.8 | 176.9 | -84.2 | -83.1 | 0 | 0 | 0 | 113.4 | T553 | T553-F555 VanDerWaalsContact C-N 3.25Å; T553-F555 PolarHBondContact O-N 3.49Å |
| 556 | H | 67 | Low | 71.7 | Confident | 88 Ų | 88 | 103.9 Ų | 103.9 | 41% | 0.407 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -91.7 | 5.8 | 177.4 | -63.7 | -63.1 | 0 | 0 | 0 | 113.5 | P551 T553 L554 A558 L559 Y560 | P551-H556 HydrophobicContact CB-CB 3.36Å; P551-H556 HydrophobicContact CG-CB 4.12Å; T553-H556 PolarHBondContact O-N 3.43Å; T553-H556 VanDerWaalsContact O-N 3.08Å; T553-H556 PolarHBondContact OG1-CD2 3.42Å; L554-H556 PolarHBondContact O-N 2.91Å; H556-A558 VanDerWaalsContact C-N 3.27Å; H556-A558 PolarHBondContact O-N 2.95Å; H556-L559 HydrophobicContact CB-CD1 4.42Å; H556-L559 WeakPolarHBondContact ND1-CD1 3.48Å; H556-L559 WeakPolarHBondContact O-CB 3.44Å; H556-L559 PolarHBondContact O-N 3.33Å; H556-Y560 PolarHBondContact O-N 3.37Å |
| 557 | A | 69.9 | Low | 72.3 | Confident | 46 Ų | 46 | 106 Ų | 106 | 38% | 0.38 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.8 | -36.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L554 Y560 I561 | L554-A557 WeakPolarHBondContact O-CB 3.4Å; L554-A557 PolarHBondContact O-N 2.78Å; A557-Y560 WeakPolarHBondContact O-CB 3.15Å; A557-Y560 PolarHBondContact O-N 2.87Å; A557-I561 WeakPolarHBondContact O-CG1 3.48Å; A557-I561 PolarHBondContact O-N 2.98Å |
| 558 | A | 71.4 | Confident | 72.8 | Confident | 67 Ų | 67 | 101.8 Ų | 101.8 | 55% | 0.554 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.2 | -40.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | H556 Y560 I561 N562 | H556-A558 VanDerWaalsContact C-N 3.27Å; H556-A558 PolarHBondContact O-N 2.95Å; A558-Y560 VanDerWaalsContact C-N 3.28Å; A558-Y560 PolarHBondContact O-N 3.45Å; A558-I561 PolarHBondContact O-N 3.09Å; A558-N562 PolarHBondContact O-N 3.48Å |
| 559 | L | 70.3 | Confident | 73.2 | Confident | 106 Ų | 106 | 102.5 Ų | 102.5 | 56% | 0.555 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.2 | -38.3 | 173.2 | -71.4 | 163.8 | 0 | 0 | 0 | 110.8 | H556 N562 V563 | H556-L559 HydrophobicContact CB-CD1 4.42Å; H556-L559 WeakPolarHBondContact ND1-CD1 3.48Å; H556-L559 WeakPolarHBondContact O-CB 3.44Å; H556-L559 PolarHBondContact O-N 3.33Å; L559-N562 WeakPolarHBondContact O-CB 3.3Å; L559-N562 PolarHBondContact O-N 2.92Å; L559-V563 WeakPolarHBondContact O-CG2 3.47Å; L559-V563 PolarHBondContact O-N 3.37Å |
| 560 | Y | 75.6 | Confident | 73.8 | Confident | 92 Ų | 92 | 98 Ų | 98 | 36% | 0.361 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 177.5 | -169.9 | -112.9 | 0 | 0 | 0 | 113.3 | P551 H556 A557 A558 N562 V563 I564 | P551-Y560 VanDerWaalsContact CD-CD2 3.47Å; P551-Y560 HydrophobicContact CG-CD2 3.89Å; P551-Y560 HydrophobicContact CG-CG 4.01Å; H556-Y560 PolarHBondContact O-N 3.37Å; A557-Y560 WeakPolarHBondContact O-CB 3.15Å; A557-Y560 PolarHBondContact O-N 2.87Å; A558-Y560 VanDerWaalsContact C-N 3.28Å; A558-Y560 PolarHBondContact O-N 3.45Å; Y560-N562 VanDerWaalsContact C-N 3.28Å; Y560-N562 PolarHBondContact O-N 3.28Å; Y560-V563 WeakPolarHBondContact O-CB 3.32Å; Y560-V563 PolarHBondContact O-N 2.81Å; Y560-V563 VanDerWaalsContact O-N 3.15Å; Y560-I564 HydrophobicContact CD1-CD1 3.56Å; Y560-I564 HydrophobicContact CD1-CG1 4.23Å; Y560-I564 HydrophobicContact CE1-CD1 3.26Å; Y560-I564 HydrophobicContact CE1-CG1 3.92Å; Y560-I564 HydrophobicContact CG-CD1 4.44Å; Y560-I564 WeakPolarHBondContact O-CG1 3.3Å; Y560-I564 PolarHBondContact O-N 3.33Å |
| 561 | I | 78.4 | Confident | 74.6 | Confident | 111 Ų | 111 | 95 Ų | 95 | 57% | 0.569 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59 | -41.2 | 174 | -68.3 | 168.6 | 0 | 0 | 0 | 110.7 | A557 A558 I564 K565 | A557-I561 WeakPolarHBondContact O-CG1 3.48Å; A557-I561 PolarHBondContact O-N 2.98Å; A558-I561 PolarHBondContact O-N 3.09Å; I561-I564 PolarHBondContact O-N 2.91Å; I561-K565 WeakPolarHBondContact O-CB 3.43Å; I561-K565 PolarHBondContact O-N 2.93Å |
| 562 | N | 78.5 | Confident | 75.5 | Confident | 87 Ų | 87 | 98 Ų | 98 | 47% | 0.465 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.2 | -42.4 | 175 | -71.1 | -25 | 0 | 0 | 0 | 111.6 | A558 L559 Y560 I564 K565 D566 | A558-N562 PolarHBondContact O-N 3.48Å; L559-N562 WeakPolarHBondContact O-CB 3.3Å; L559-N562 PolarHBondContact O-N 2.92Å; Y560-N562 VanDerWaalsContact C-N 3.28Å; Y560-N562 PolarHBondContact O-N 3.28Å; N562-I564 PolarHBondContact O-N 3.2Å; N562-K565 PolarHBondContact O-N 3.18Å; N562-D566 WeakPolarHBondContact O-CB 3.35Å; N562-D566 PolarHBondContact O-N 3.02Å |
| 563 | V | 79.8 | Confident | 75.9 | Confident | 35 Ų | 35 | 89.7 Ų | 89.7 | 21% | 0.212 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 174.4 | 173.2 | 0 | 0 | 0 | 0 | 111.7 | I546 L559 Y560 K565 D566 F567 | I546-V563 HydrophobicContact CG2-CG1 3.9Å; L559-V563 WeakPolarHBondContact O-CG2 3.47Å; L559-V563 PolarHBondContact O-N 3.37Å; Y560-V563 WeakPolarHBondContact O-CB 3.32Å; Y560-V563 PolarHBondContact O-N 2.81Å; Y560-V563 VanDerWaalsContact O-N 3.15Å; V563-K565 PolarHBondContact O-N 2.95Å; V563-D566 PolarHBondContact O-N 2.86Å; V563-F567 VanDerWaalsContact O-CB 3.23Å; V563-F567 WeakPolarHBondContact O-CB 3.42Å; V563-F567 PolarHBondContact O-N 2.78Å |
| 564 | I | 80.4 | Confident | 76.6 | Confident | 90 Ų | 90 | 92 Ų | 92 | 46% | 0.462 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 175.2 | -69.8 | 166.1 | 0 | 0 | 0 | 110.8 | Y560 I561 N562 F567 G568 | Y560-I564 HydrophobicContact CD1-CD1 3.56Å; Y560-I564 HydrophobicContact CD1-CG1 4.23Å; Y560-I564 HydrophobicContact CE1-CD1 3.26Å; Y560-I564 HydrophobicContact CE1-CG1 3.92Å; Y560-I564 HydrophobicContact CG-CD1 4.44Å; Y560-I564 WeakPolarHBondContact O-CG1 3.3Å; Y560-I564 PolarHBondContact O-N 3.33Å; I561-I564 PolarHBondContact O-N 2.91Å; N562-I564 PolarHBondContact O-N 3.2Å; I564-F567 PolarHBondContact O-N 3.35Å; I564-G568 PolarHBondContact O-N 3.26Å |
| 565 | K | 78.5 | Confident | 77.1 | Confident | 113 Ų | 113 | 87.1 Ų | 87.1 | 49% | 0.491 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | -179.6 | -178.1 | 179 | 177.7 | -179.5 | 0 | 111.8 | I561 N562 V563 G568 R569 | I561-K565 WeakPolarHBondContact O-CB 3.43Å; I561-K565 PolarHBondContact O-N 2.93Å; N562-K565 PolarHBondContact O-N 3.18Å; V563-K565 PolarHBondContact O-N 2.95Å; K565-G568 PolarHBondContact O-N 3.33Å; K565-R569 WeakPolarHBondContact O-CG 3.47Å; K565-R569 PolarHBondContact O-N 3.39Å |
| 566 | D | 79.7 | Confident | 77.8 | Confident | 66 Ų | 66 | 79.4 Ų | 79.4 | 35% | 0.353 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -70.6 | -36.5 | 178.2 | -67.5 | -26.5 | 0 | 0 | 0 | 111.1 | I546 N562 V563 R569 L570 | I546-D566 HydrophobicContact CD1-CB 3.91Å; I546-D566 WeakPolarHBondContact CD1-O 3.47Å; I546-D566 HydrophobicContact CG1-CB 4.13Å; N562-D566 WeakPolarHBondContact O-CB 3.35Å; N562-D566 PolarHBondContact O-N 3.02Å; V563-D566 PolarHBondContact O-N 2.86Å; D566-R569 WeakPolarHBondContact O-CB 3.23Å; D566-R569 PolarHBondContact O-N 3.25Å; D566-R569 IonicContact OD1-NH1 3.63Å; D566-R569 PolarHBondContact OD1-NH1 3.14Å; D566-R569 VanDerWaalsContact OD1-NH1 3.17Å; D566-L570 PolarHBondContact O-N 3.29Å |
| 567 | F | 81 | Confident | 78.7 | Confident | 81 Ų | 81 | 79 Ų | 79 | 36% | 0.355 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64 | -43.6 | 172.7 | -179.2 | -122.5 | 0 | 0 | 0 | 111.6 | I546 F548 V563 I564 R569 L570 L571 | I546-F567 HydrophobicContact CD1-CB 4.41Å; F548-F567 HydrophobicContact CE1-CB 4.16Å; F548-F567 AromaticContact CE1-CD2 3.35Å; F548-F567 HydrophobicContact CE1-CD2 3.35Å; F548-F567 AromaticContact CE1-CE2 3.73Å; F548-F567 HydrophobicContact CE1-CE2 3.73Å; F548-F567 AromaticContact CE1-CG 3.78Å; F548-F567 HydrophobicContact CE1-CG 3.78Å; F548-F567 HydrophobicContact CE1-CZ 4.47Å; F548-F567 AromaticContact CZ-CD2 3.41Å; F548-F567 HydrophobicContact CZ-CD2 3.41Å; F548-F567 VanDerWaalsContact CZ-CD2 3.41Å; F548-F567 AromaticContact CZ-CE2 3.72Å; F548-F567 HydrophobicContact CZ-CE2 3.72Å; F548-F567 HydrophobicContact CZ-CG 4.26Å; V563-F567 VanDerWaalsContact O-CB 3.23Å; V563-F567 WeakPolarHBondContact O-CB 3.42Å; V563-F567 PolarHBondContact O-N 2.78Å; I564-F567 PolarHBondContact O-N 3.35Å; F567-R569 VanDerWaalsContact C-N 3.31Å; F567-R569 PolarHBondContact O-N 3.17Å; F567-L570 PolarHBondContact O-N 3.11Å; F567-L571 HydrophobicContact CD1-CD1 3.93Å; F567-L571 HydrophobicContact CD1-CG 4.43Å; F567-L571 HydrophobicContact CD2-CG 4.24Å; F567-L571 HydrophobicContact CE1-CD1 3.42Å; F567-L571 VanDerWaalsContact CE1-CD1 3.42Å; F567-L571 HydrophobicContact CE1-CG 4.08Å; F567-L571 HydrophobicContact CE2-CD1 4.15Å; F567-L571 HydrophobicContact CE2-CD2 4Å; F567-L571 HydrophobicContact CE2-CG 3.89Å; F567-L571 HydrophobicContact CG-CD1 4.49Å; F567-L571 HydrophobicContact CZ-CD1 3.57Å; F567-L571 HydrophobicContact CZ-CD2 3.94Å; F567-L571 HydrophobicContact CZ-CG 3.82Å; F567-L571 WeakPolarHBondContact O-CG 3.44Å; F567-L571 PolarHBondContact O-N 3.33Å |
| 568 | G | 79 | Confident | 79.5 | Confident | 26 Ų | 26 | 77 Ų | 77 | 27% | 0.268 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.4 | -42.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I564 K565 L571 I572 | I564-G568 PolarHBondContact O-N 3.26Å; K565-G568 PolarHBondContact O-N 3.33Å; G568-L571 PolarHBondContact O-N 3.08Å; G568-I572 WeakPolarHBondContact O-CB 3.32Å; G568-I572 WeakPolarHBondContact O-CD1 3.5Å; G568-I572 WeakPolarHBondContact O-CG1 3.3Å; G568-I572 PolarHBondContact O-N 3.34Å |
| 569 | R | 78 | Confident | 80.4 | Confident | 141 Ų | 141 | 74.9 Ų | 74.9 | 53% | 0.532 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 174.7 | -73.7 | 165.4 | 168.4 | -179.6 | -12.3 | 112.7 | K565 D566 F567 I572 S573 | K565-R569 WeakPolarHBondContact O-CG 3.47Å; K565-R569 PolarHBondContact O-N 3.39Å; D566-R569 WeakPolarHBondContact O-CB 3.23Å; D566-R569 PolarHBondContact O-N 3.25Å; D566-R569 IonicContact OD1-NH1 3.63Å; D566-R569 PolarHBondContact OD1-NH1 3.14Å; D566-R569 VanDerWaalsContact OD1-NH1 3.17Å; F567-R569 VanDerWaalsContact C-N 3.31Å; F567-R569 PolarHBondContact O-N 3.17Å; R569-I572 PolarHBondContact O-N 3.04Å; R569-S573 WeakPolarHBondContact O-CB 3.48Å; R569-S573 PolarHBondContact O-N 3.47Å; R569-S573 PolarHBondContact O-OG 3.11Å |
| 570 | L | 80.6 | Confident | 81.2 | Confident | 69 Ų | 69 | 71.6 Ų | 71.6 | 36% | 0.361 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 176.2 | 178.8 | 66.8 | 0 | 0 | 0 | 111.4 | I546 D566 F567 S573 Q574 | I546-L570 HydrophobicContact CD1-CB 3.95Å; I546-L570 HydrophobicContact CD1-CD2 3.95Å; D566-L570 PolarHBondContact O-N 3.29Å; F567-L570 PolarHBondContact O-N 3.11Å; L570-S573 PolarHBondContact O-N 3.32Å; L570-S573 PolarHBondContact O-OG 3.25Å; L570-Q574 HydrophobicContact CD1-CG 4.34Å; L570-Q574 WeakPolarHBondContact O-CB 3.49Å; L570-Q574 VanDerWaalsContact O-CG 3.32Å; L570-Q574 WeakPolarHBondContact O-CG 3.27Å; L570-Q574 PolarHBondContact O-N 3.5Å |
| 571 | L | 82.3 | Confident | 81.9 | Confident | 82 Ų | 82 | 71.4 Ų | 71.4 | 43% | 0.429 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 176.3 | -73.8 | -179 | 0 | 0 | 0 | 111.2 | F567 G568 S573 Q574 V575 | F567-L571 HydrophobicContact CD1-CD1 3.93Å; F567-L571 HydrophobicContact CD1-CG 4.43Å; F567-L571 HydrophobicContact CD2-CG 4.24Å; F567-L571 HydrophobicContact CE1-CD1 3.42Å; F567-L571 VanDerWaalsContact CE1-CD1 3.42Å; F567-L571 HydrophobicContact CE1-CG 4.08Å; F567-L571 HydrophobicContact CE2-CD1 4.15Å; F567-L571 HydrophobicContact CE2-CD2 4Å; F567-L571 HydrophobicContact CE2-CG 3.89Å; F567-L571 HydrophobicContact CG-CD1 4.49Å; F567-L571 HydrophobicContact CZ-CD1 3.57Å; F567-L571 HydrophobicContact CZ-CD2 3.94Å; F567-L571 HydrophobicContact CZ-CG 3.82Å; F567-L571 WeakPolarHBondContact O-CG 3.44Å; F567-L571 PolarHBondContact O-N 3.33Å; G568-L571 PolarHBondContact O-N 3.08Å; L571-S573 VanDerWaalsContact C-N 3.32Å; L571-S573 PolarHBondContact O-N 3.45Å; L571-Q574 PolarHBondContact O-N 3.24Å; L571-V575 WeakPolarHBondContact O-CB 3.43Å; L571-V575 WeakPolarHBondContact O-CG2 3.43Å; L571-V575 PolarHBondContact O-N 3.15Å |
| 572 | I | 78.8 | Confident | 82.5 | Confident | 110 Ų | 110 | 68.1 Ų | 68.1 | 56% | 0.564 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.3 | -43.1 | 177 | -69.6 | 165 | 0 | 0 | 0 | 110.3 | G568 R569 S576 | G568-I572 WeakPolarHBondContact O-CB 3.32Å; G568-I572 WeakPolarHBondContact O-CD1 3.5Å; G568-I572 WeakPolarHBondContact O-CG1 3.3Å; G568-I572 PolarHBondContact O-N 3.34Å; R569-I572 PolarHBondContact O-N 3.04Å; I572-S576 VanDerWaalsContact O-CB 3.24Å; I572-S576 WeakPolarHBondContact O-CB 3.35Å; I572-S576 PolarHBondContact O-N 3.49Å; I572-S576 PolarHBondContact O-OG 3Å |
| 573 | S | 78.4 | Confident | 83.2 | Confident | 34 Ų | 34 | 64 Ų | 64 | 24% | 0.238 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66 | -42.5 | 179.6 | 69.3 | 0 | 0 | 0 | 0 | 112.5 | R569 L570 L571 E577 | R569-S573 WeakPolarHBondContact O-CB 3.48Å; R569-S573 PolarHBondContact O-N 3.47Å; R569-S573 PolarHBondContact O-OG 3.11Å; L570-S573 PolarHBondContact O-N 3.32Å; L570-S573 PolarHBondContact O-OG 3.25Å; L571-S573 VanDerWaalsContact C-N 3.32Å; L571-S573 PolarHBondContact O-N 3.45Å; S573-E577 PolarHBondContact O-N 3.45Å; S573-E577 VanDerWaalsContact O-N 3.12Å |
| 574 | Q | 82.4 | Confident | 83.8 | Confident | 126 Ų | 126 | 66.3 Ų | 66.3 | 59% | 0.589 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -66.6 | -42.4 | 177 | -72.9 | -61.3 | -56.4 | 0 | 0 | 112.5 | L570 L571 E577 | L570-Q574 HydrophobicContact CD1-CG 4.34Å; L570-Q574 WeakPolarHBondContact O-CB 3.49Å; L570-Q574 VanDerWaalsContact O-CG 3.32Å; L570-Q574 WeakPolarHBondContact O-CG 3.27Å; L570-Q574 PolarHBondContact O-N 3.5Å; L571-Q574 PolarHBondContact O-N 3.24Å; Q574-E577 WeakPolarHBondContact O-CB 3.37Å; Q574-E577 PolarHBondContact O-N 3.04Å |
| 575 | V | 82.5 | Confident | 84.5 | Confident | 61 Ų | 61 | 69 Ų | 69 | 37% | 0.37 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -72.1 | -36 | -178.4 | 167.4 | 0 | 0 | 0 | 0 | 111.6 | G488 L489 L571 E577 | G488-V575 VanDerWaalsContact O-O 3.09Å; L489-V575 VanDerWaalsContact C-CG1 3.48Å; L489-V575 VanDerWaalsContact CA-CG1 3.44Å; L489-V575 HydrophobicContact CB-CG1 4.17Å; L489-V575 HydrophobicContact CD2-CG1 3.85Å; L489-V575 WeakPolarHBondContact O-CG1 3.36Å; L571-V575 WeakPolarHBondContact O-CB 3.43Å; L571-V575 WeakPolarHBondContact O-CG2 3.43Å; L571-V575 PolarHBondContact O-N 3.15Å; V575-E577 VanDerWaalsContact C-N 3.28Å |
| 576 | S | 81.7 | Confident | 85.3 | Confident | 37 Ų | 37 | 63.7 Ų | 63.7 | 26% | 0.259 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 10.1 | 175.7 | 66.3 | 0 | 0 | 0 | 0 | 113.7 | N492 I572 T578 | N492-S576 PolarHBondContact ND2-O 3.47Å; I572-S576 VanDerWaalsContact O-CB 3.24Å; I572-S576 WeakPolarHBondContact O-CB 3.35Å; I572-S576 PolarHBondContact O-N 3.49Å; I572-S576 PolarHBondContact O-OG 3Å; S576-T578 PolarHBondContact O-N 3.14Å |
| 577 | E | 85.5 | Confident | 86.1 | Confident | 78 Ų | 78 | 63.4 Ų | 63.4 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | trans | -65.4 | 131.9 | 175.8 | -174.2 | 55.2 | -97.3 | 0 | 0 | 110.1 | S573 Q574 V575 D579 | S573-E577 PolarHBondContact O-N 3.45Å; S573-E577 VanDerWaalsContact O-N 3.12Å; Q574-E577 WeakPolarHBondContact O-CB 3.37Å; Q574-E577 PolarHBondContact O-N 3.04Å; V575-E577 VanDerWaalsContact C-N 3.28Å; E577-D579 WeakPolarHBondContact CG-O 3.49Å; E577-D579 PolarHBondContact OE1-N 3.32Å | ||
| 578 | T | 87.3 | Confident | 86.7 | Confident | 4 Ų | 4 | 62.5 Ų | 62.5 | 3% | 0.025 | 34% | 0.335 | C | S | . | . | trans | -106.6 | -18.9 | -178.1 | 56 | 0 | 0 | 0 | 0 | 112.2 | D332 G333 N492 N493 S576 R599 | D332-T578 HydrophobicContact CB-CG2 3.88Å; D332-T578 WeakPolarHBondContact OD2-CB 3.17Å; G333-T578 WeakPolarHBondContact O-CG2 3.41Å; N492-T578 HydrophobicContact CB-CG2 4.05Å; N492-T578 WeakPolarHBondContact ND2-CG2 3.36Å; N493-T578 WeakPolarHBondContact CB-O 3.35Å; N493-T578 PolarHBondContact ND2-O 2.73Å; S576-T578 PolarHBondContact O-N 3.14Å; T578-R599 PolarHBondContact O-NH2 2.91Å | ||
| 579 | D | 88.5 | Confident | 87.4 | Confident | 23 Ų | 23 | 68.2 Ų | 68.2 | 12% | 0.123 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -118.4 | -163 | -177.8 | -140.4 | -71.1 | 0 | 0 | 0 | 111.7 | I537 E577 C581 R599 | I537-D579 HydrophobicContact CG1-CB 4.39Å; E577-D579 WeakPolarHBondContact CG-O 3.49Å; E577-D579 PolarHBondContact OE1-N 3.32Å; D579-C581 PolarHBondContact O-N 3.26Å; D579-R599 IonicContact OD2-CZ 2.81Å; D579-R599 IonicContact OD2-NE 3.84Å; D579-R599 PolarHBondContact OD2-NE 3.38Å; D579-R599 IonicContact OD2-NH2 3.83Å; D579-R599 PolarHBondContact OD2-NH2 2.86Å |
| 580 | G | 87.8 | Confident | 88.3 | Confident | 37 Ų | 37 | 61.5 Ų | 61.5 | 38% | 0.381 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | -130.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T582 V583 E584 | G580-T582 PolarHBondContact O-N 3.21Å; G580-T582 VanDerWaalsContact O-N 3.11Å; G580-V583 PolarHBondContact O-N 3.2Å; G580-E584 PolarHBondContact O-N 2.91Å |
| 581 | C | 90 | Very high | 88.9 | Confident | 89 Ų | 89 | 60 Ų | 60 | 60% | 0.601 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -56.8 | -33 | -171.8 | -74.8 | 0 | 0 | 0 | 0 | 113.7 | D579 E584 R585 | D579-C581 PolarHBondContact O-N 3.26Å; C581-E584 PolarHBondContact O-N 3.21Å; C581-R585 WeakPolarHBondContact O-CD 3.24Å; C581-R585 WeakPolarHBondContact O-CG 3.43Å; C581-R585 PolarHBondContact O-N 3.22Å |
| 582 | T | 91 | Very high | 89.4 | Confident | 41 Ų | 41 | 60.1 Ų | 60.1 | 25% | 0.252 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 178.7 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | N493 G580 C586 | N493-T582 HydrophobicContact CB-CG2 3.94Å; G580-T582 PolarHBondContact O-N 3.21Å; G580-T582 VanDerWaalsContact O-N 3.11Å; T582-C586 PolarHBondContact O-N 2.84Å; T582-C586 VanDerWaalsContact O-N 3.16Å; T582-C586 PolarHBondContact O-SG 3.06Å |
| 583 | V | 93.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.1 | -41.9 | 176.3 | 168.8 | 0 | 0 | 0 | 0 | 111.1 | G580 R585 C586 R587 Y597 R599 | G580-V583 PolarHBondContact O-N 3.2Å; V583-R585 VanDerWaalsContact C-N 3.31Å; V583-R585 PolarHBondContact O-N 3.34Å; V583-C586 WeakPolarHBondContact O-CB 3.34Å; V583-C586 PolarHBondContact O-N 2.9Å; V583-C586 VanDerWaalsContact O-N 3.09Å; V583-R587 HydrophobicContact CG1-CG 4.4Å; V583-R587 WeakPolarHBondContact O-CG 3.49Å; V583-R587 PolarHBondContact O-N 3.2Å; V583-Y597 HydrophobicContact CG1-CE1 4.13Å; V583-R599 HydrophobicContact CG1-CB 4.45Å; V583-R599 HydrophobicContact CG1-CG 4.07Å |
| 584 | E | 93.4 | Very high | 90.8 | Very high | 84 Ų | 84 | 59.7 Ų | 59.7 | 39% | 0.393 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60 | -40.3 | 177.1 | -70.1 | -51.5 | 123.4 | 0 | 0 | 112.3 | G580 C581 R587 A588 | G580-E584 PolarHBondContact O-N 2.91Å; C581-E584 PolarHBondContact O-N 3.21Å; E584-R587 PolarHBondContact O-N 3.02Å; E584-R587 IonicContact OE1-CZ 3.8Å; E584-R587 IonicContact OE1-NH1 2.87Å; E584-R587 PolarHBondContact OE1-NH1 2.9Å; E584-A588 WeakPolarHBondContact O-CB 3.34Å; E584-A588 PolarHBondContact O-N 2.79Å |
| 585 | R | 94.8 | Very high | 91.3 | Very high | 148 Ų | 148 | 54 Ų | 54 | 56% | 0.558 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.7 | -43.9 | 173.3 | -68.3 | 164.3 | -174.8 | 167.6 | 2.4 | 111.2 | M496 C581 V583 R587 A588 W589 | M496-R585 HydrophobicContact CE-CB 3.34Å; M496-R585 HydrophobicContact CE-CG 4.37Å; C581-R585 WeakPolarHBondContact O-CD 3.24Å; C581-R585 WeakPolarHBondContact O-CG 3.43Å; C581-R585 PolarHBondContact O-N 3.22Å; V583-R585 VanDerWaalsContact C-N 3.31Å; V583-R585 PolarHBondContact O-N 3.34Å; R585-R587 VanDerWaalsContact C-N 3.34Å; R585-R587 PolarHBondContact O-N 3.02Å; R585-A588 PolarHBondContact O-N 3.21Å; R585-W589 PolarHBondContact O-N 2.93Å |
| 586 | C | 95.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 176.7 | -64.6 | 0 | 0 | 0 | 0 | 111.8 | T495 T582 V583 W589 C590 Y597 | T495-C586 HydrophobicContact CG2-CB 4.35Å; T582-C586 PolarHBondContact O-N 2.84Å; T582-C586 VanDerWaalsContact O-N 3.16Å; T582-C586 PolarHBondContact O-SG 3.06Å; V583-C586 WeakPolarHBondContact O-CB 3.34Å; V583-C586 PolarHBondContact O-N 2.9Å; V583-C586 VanDerWaalsContact O-N 3.09Å; C586-W589 PolarHBondContact O-N 3.25Å; C586-C590 WeakPolarHBondContact O-CB 3.47Å; C586-C590 PolarHBondContact O-N 2.78Å; C586-C590 PolarHBondContact O-SG 3.21Å; C586-Y597 HydrophobicContact CB-CE2 3.89Å |
| 587 | R | 94.9 | Very high | 92.5 | Very high | 61 Ų | 61 | 50 Ų | 50 | 23% | 0.23 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.4 | -49.4 | 173.8 | -76.5 | 175 | 168.9 | 149 | -2.4 | 111.4 | N303 V583 E584 R585 W589 C590 A591 Y597 | N303-R587 WeakPolarHBondContact OD1-CD 3.3Å; V583-R587 HydrophobicContact CG1-CG 4.4Å; V583-R587 WeakPolarHBondContact O-CG 3.49Å; V583-R587 PolarHBondContact O-N 3.2Å; E584-R587 PolarHBondContact O-N 3.02Å; E584-R587 IonicContact OE1-CZ 3.8Å; E584-R587 IonicContact OE1-NH1 2.87Å; E584-R587 PolarHBondContact OE1-NH1 2.9Å; R585-R587 VanDerWaalsContact C-N 3.34Å; R585-R587 PolarHBondContact O-N 3.02Å; R587-W589 PolarHBondContact O-N 3.24Å; R587-C590 PolarHBondContact O-N 3.18Å; R587-A591 VanDerWaalsContact O-CB 3.24Å; R587-A591 WeakPolarHBondContact O-CB 3.2Å; R587-A591 PolarHBondContact O-N 3.19Å; R587-Y597 HydrophobicContact CB-CD1 4.48Å; R587-Y597 HydrophobicContact CG-CD1 3.45Å; R587-Y597 VanDerWaalsContact CG-CD1 3.45Å; R587-Y597 HydrophobicContact CG-CE1 3.51Å; R587-Y597 HydrophobicContact CG-CG 4.43Å |
| 588 | A | 94.4 | Very high | 92.8 | Very high | 61 Ų | 61 | 46.3 Ų | 46.3 | 50% | 0.504 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E584 R585 A591 S592 | E584-A588 WeakPolarHBondContact O-CB 3.34Å; E584-A588 PolarHBondContact O-N 2.79Å; R585-A588 PolarHBondContact O-N 3.21Å; A588-A591 PolarHBondContact O-N 3.39Å; A588-S592 WeakPolarHBondContact O-CB 3.31Å; A588-S592 PolarHBondContact O-N 3.07Å; A588-S592 PolarHBondContact O-OG 3.23Å |
| 589 | W | 94.8 | Very high | 93 | Very high | 147 Ų | 147 | 46.7 Ų | 46.7 | 56% | 0.557 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -66.6 | -41.3 | 175.7 | -79 | 111 | 0 | 0 | 0 | 112.8 | M499 R585 C586 R587 S592 L593 | M499-W589 HydrophobicContact CE-CB 3.95Å; R585-W589 PolarHBondContact O-N 2.93Å; C586-W589 PolarHBondContact O-N 3.25Å; R587-W589 PolarHBondContact O-N 3.24Å; W589-S592 PolarHBondContact O-N 3.05Å; W589-S592 PolarHBondContact O-OG 2.95Å; W589-L593 WeakPolarHBondContact O-CB 3.3Å; W589-L593 VanDerWaalsContact O-CG 3.26Å; W589-L593 WeakPolarHBondContact O-CG 3.41Å; W589-L593 PolarHBondContact O-N 3.26Å; W589-L593 VanDerWaalsContact O-N 3.15Å |
| 590 | C | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.4 | -42 | 176.3 | -68.2 | 0 | 0 | 0 | 0 | 111.1 | M499 C586 R587 S592 L593 N594 V595 Y597 | M499-C590 VanDerWaalsContact CE-SG 3.56Å; C586-C590 WeakPolarHBondContact O-CB 3.47Å; C586-C590 PolarHBondContact O-N 2.78Å; C586-C590 PolarHBondContact O-SG 3.21Å; R587-C590 PolarHBondContact O-N 3.18Å; C590-S592 PolarHBondContact O-N 3.13Å; C590-L593 CarbonylContact O-C 3.41Å; C590-L593 PolarHBondContact O-N 2.92Å; C590-N594 PolarHBondContact O-N 3.14Å; C590-V595 HydrophobicContact CB-CB 4.27Å; C590-V595 WeakPolarHBondContact CB-O 3.38Å; C590-V595 PolarHBondContact O-N 3.23Å; C590-Y597 HydrophobicContact CB-CG 4.38Å |
| 591 | A | 93.4 | Very high | 92.9 | Very high | 37 Ų | 37 | 44.2 Ų | 44.2 | 31% | 0.306 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.9 | -43.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I306 R587 A588 L593 N594 | I306-A591 HydrophobicContact CG2-CB 3.57Å; R587-A591 VanDerWaalsContact O-CB 3.24Å; R587-A591 WeakPolarHBondContact O-CB 3.2Å; R587-A591 PolarHBondContact O-N 3.19Å; A588-A591 PolarHBondContact O-N 3.39Å; A591-L593 PolarHBondContact O-N 2.91Å; A591-N594 PolarHBondContact O-N 3.34Å |
| 592 | S | 93.9 | Very high | 92.5 | Very high | 85 Ų | 85 | 40 Ų | 40 | 59% | 0.594 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -66.5 | -28.3 | 178 | 71.1 | 0 | 0 | 0 | 0 | 113 | A588 W589 C590 | A588-S592 WeakPolarHBondContact O-CB 3.31Å; A588-S592 PolarHBondContact O-N 3.07Å; A588-S592 PolarHBondContact O-OG 3.23Å; W589-S592 PolarHBondContact O-N 3.05Å; W589-S592 PolarHBondContact O-OG 2.95Å; C590-S592 PolarHBondContact O-N 3.13Å |
| 593 | L | 92.5 | Very high | 92.1 | Very high | 84 Ų | 84 | 45.2 Ų | 45.2 | 44% | 0.44 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -0.1 | 174.4 | -63.1 | 174 | 0 | 0 | 0 | 113.3 | M499 L527 W589 C590 A591 V595 | M499-L593 HydrophobicContact CE-CD1 4.28Å; L527-L593 HydrophobicContact CD1-CD1 3.98Å; W589-L593 WeakPolarHBondContact O-CB 3.3Å; W589-L593 VanDerWaalsContact O-CG 3.26Å; W589-L593 WeakPolarHBondContact O-CG 3.41Å; W589-L593 PolarHBondContact O-N 3.26Å; W589-L593 VanDerWaalsContact O-N 3.15Å; C590-L593 CarbonylContact O-C 3.41Å; C590-L593 PolarHBondContact O-N 2.92Å; A591-L593 PolarHBondContact O-N 2.91Å; L593-V595 VanDerWaalsContact C-N 3.26Å; L593-V595 HydrophobicContact CB-CG2 3.74Å; L593-V595 PolarHBondContact O-N 3.46Å |
| 594 | N | 92.5 | Very high | 91.7 | Very high | 51 Ų | 51 | 45.6 Ų | 45.6 | 27% | 0.273 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 42.8 | -174.3 | -176.5 | 63.9 | 0 | 0 | 0 | 112.5 | S313 C590 A591 | S313-N594 WeakPolarHBondContact CB-ND2 3.33Å; S313-N594 WeakPolarHBondContact CB-OD1 3.35Å; S313-N594 PolarHBondContact OG-ND2 3.41Å; S313-N594 PolarHBondContact OG-OD1 3.1Å; C590-N594 PolarHBondContact O-N 3.14Å; A591-N594 PolarHBondContact O-N 3.34Å |
| 595 | V | 94.1 | Very high | 91.2 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 4% | 0.036 | 24% | 0.237 | C | C | . | . | trans | -107.2 | 126.2 | -179.9 | 177 | 0 | 0 | 0 | 0 | 109.2 | L527 V530 C590 L593 Y597 | L527-V595 HydrophobicContact CB-CG1 4.11Å; L527-V595 HydrophobicContact CB-CG2 3.61Å; L527-V595 HydrophobicContact CD1-CG2 4.39Å; V530-V595 HydrophobicContact CG2-CG1 3.89Å; C590-V595 HydrophobicContact CB-CB 4.27Å; C590-V595 WeakPolarHBondContact CB-O 3.38Å; C590-V595 PolarHBondContact O-N 3.23Å; L593-V595 VanDerWaalsContact C-N 3.26Å; L593-V595 HydrophobicContact CB-CG2 3.74Å; L593-V595 PolarHBondContact O-N 3.46Å; V595-Y597 PolarHBondContact O-N 3.04Å | ||
| 596 | P | 94.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -57.7 | 123.5 | 171 | -26.1 | 35.5 | 0 | 0 | 0 | 112.2 | I311 H314 G528 C529 V530 F598 L642 | I311-P596 HydrophobicContact CB-CG 4.48Å; I311-P596 HydrophobicContact CG1-CB 3.76Å; I311-P596 HydrophobicContact CG1-CG 3.78Å; H314-P596 HydrophobicContact CB-CG 4.18Å; G528-P596 WeakPolarHBondContact O-CD 3.48Å; C529-P596 WeakPolarHBondContact CA-O 3.45Å; C529-P596 HydrophobicContact CB-CB 4.29Å; V530-P596 PolarHBondContact N-O 3.11Å; P596-F598 HydrophobicContact CB-CE2 3.86Å; P596-L642 HydrophobicContact CB-CD1 3.72Å; P596-L642 HydrophobicContact CG-CD1 3.96Å; P596-L642 HydrophobicContact CG-CD2 4.16Å | ||
| 597 | Y | 94.6 | Very high | 90.2 | Very high | 15 Ų | 15 | 47.5 Ų | 47.5 | 6% | 0.059 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 124 | 177.5 | 178.7 | -98.7 | 0 | 0 | 0 | 111 | R307 T495 V530 S532 V583 C586 R587 C590 V595 R599 | R307-Y597 WeakPolarHBondContact CD-O 3.48Å; T495-Y597 HydrophobicContact CG2-CE2 3.83Å; V530-Y597 HydrophobicContact CB-CD2 3.9Å; V530-Y597 HydrophobicContact CG1-CD2 3.66Å; V530-Y597 HydrophobicContact CG1-CE2 3.86Å; V530-Y597 CarbonylContact O-C 3.5Å; V530-Y597 WeakPolarHBondContact O-CA 3.49Å; S532-Y597 WeakPolarHBondContact CB-OH 3.36Å; V583-Y597 HydrophobicContact CG1-CE1 4.13Å; C586-Y597 HydrophobicContact CB-CE2 3.89Å; R587-Y597 HydrophobicContact CB-CD1 4.48Å; R587-Y597 HydrophobicContact CG-CD1 3.45Å; R587-Y597 VanDerWaalsContact CG-CD1 3.45Å; R587-Y597 HydrophobicContact CG-CE1 3.51Å; R587-Y597 HydrophobicContact CG-CG 4.43Å; C590-Y597 HydrophobicContact CB-CG 4.38Å; V595-Y597 PolarHBondContact O-N 3.04Å; Y597-R599 HydrophobicContact CE1-CB 3.77Å |
| 598 | F | 92.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 125.8 | 177.6 | -61.2 | -96.6 | 0 | 0 | 0 | 109.8 | I311 V530 V531 S532 P596 F600 D635 L639 L642 | I311-F598 HydrophobicContact CD1-CE1 4.39Å; I311-F598 HydrophobicContact CD1-CZ 3.8Å; V530-F598 PolarHBondContact O-N 3.28Å; V531-F598 HydrophobicContact CG2-CB 4.31Å; V531-F598 HydrophobicContact CG2-CD2 4.28Å; S532-F598 PolarHBondContact N-O 3.29Å; P596-F598 HydrophobicContact CB-CE2 3.86Å; F598-F600 HydrophobicContact CB-CD2 4.12Å; F598-F600 HydrophobicContact CB-CE2 3.46Å; F598-F600 VanDerWaalsContact CB-CE2 3.46Å; F598-F600 HydrophobicContact CB-CZ 4.05Å; F598-F600 HydrophobicContact CD1-CE2 4.31Å; F598-F600 HydrophobicContact CD1-CZ 4.09Å; F598-F600 HydrophobicContact CG-CE2 4.21Å; F598-F600 HydrophobicContact CG-CZ 4.45Å; F598-D635 HydrophobicContact CD1-CB 4.39Å; F598-D635 VanDerWaalsContact CE1-O 3.31Å; F598-D635 WeakPolarHBondContact CE1-O 3.47Å; F598-L639 HydrophobicContact CD2-CD1 4.08Å; F598-L639 HydrophobicContact CE1-CB 4.16Å; F598-L639 HydrophobicContact CE2-CD1 3.96Å; F598-L639 HydrophobicContact CZ-CB 4.18Å; F598-L639 HydrophobicContact CZ-CD1 4.36Å; F598-L642 HydrophobicContact CE2-CD1 3.5Å; F598-L642 VanDerWaalsContact CE2-CD1 3.5Å; F598-L642 HydrophobicContact CZ-CD1 3.63Å |
| 599 | R | 90.6 | Very high | 89.4 | Confident | 12 Ų | 12 | 42.9 Ų | 42.9 | 5% | 0.045 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 117.3 | 173.8 | 177.1 | 60.8 | 174.7 | 172.8 | 3.2 | 110.1 | D332 N493 S532 T578 D579 V583 Y597 | D332-R599 IonicContact OD1-NH1 3.23Å; D332-R599 PolarHBondContact OD1-NH1 3.31Å; D332-R599 IonicContact OD2-CZ 3.17Å; D332-R599 IonicContact OD2-NH1 3.38Å; D332-R599 PolarHBondContact OD2-NH1 2.75Å; D332-R599 IonicContact OD2-NH2 2.94Å; D332-R599 PolarHBondContact OD2-NH2 3.14Å; N493-R599 PolarHBondContact ND2-NH1 3.23Å; S532-R599 WeakPolarHBondContact O-CA 3.47Å; S532-R599 PolarHBondContact OG-NH1 3.08Å; T578-R599 PolarHBondContact O-NH2 2.91Å; D579-R599 IonicContact OD2-CZ 2.81Å; D579-R599 IonicContact OD2-NE 3.84Å; D579-R599 PolarHBondContact OD2-NE 3.38Å; D579-R599 IonicContact OD2-NH2 3.83Å; D579-R599 PolarHBondContact OD2-NH2 2.86Å; V583-R599 HydrophobicContact CG1-CB 4.45Å; V583-R599 HydrophobicContact CG1-CG 4.07Å; Y597-R599 HydrophobicContact CE1-CB 3.77Å |
| 600 | F | 87.7 | Confident | 88.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 97.7 | 177.5 | -61.9 | -77.7 | 0 | 0 | 0 | 109.5 | F348 V531 S532 I533 G534 F598 Y629 D635 | F348-F600 HydrophobicContact CB-CD1 4.13Å; F348-F600 HydrophobicContact CB-CE1 4.26Å; F348-F600 HydrophobicContact CD1-CB 3.49Å; F348-F600 VanDerWaalsContact CD1-CB 3.49Å; F348-F600 AromaticContact CD1-CD1 3.51Å; F348-F600 HydrophobicContact CD1-CD1 3.51Å; F348-F600 HydrophobicContact CD1-CD2 4.13Å; F348-F600 HydrophobicContact CD1-CE1 4.21Å; F348-F600 AromaticContact CD1-CG 3.46Å; F348-F600 HydrophobicContact CD1-CG 3.46Å; F348-F600 VanDerWaalsContact CD1-CG 3.46Å; F348-F600 AromaticContact CD2-CD1 3.53Å; F348-F600 HydrophobicContact CD2-CD1 3.53Å; F348-F600 AromaticContact CD2-CD2 3.98Å; F348-F600 HydrophobicContact CD2-CD2 3.98Å; F348-F600 AromaticContact CD2-CE1 3.32Å; F348-F600 HydrophobicContact CD2-CE1 3.32Å; F348-F600 AromaticContact CD2-CE2 3.76Å; F348-F600 HydrophobicContact CD2-CE2 3.76Å; F348-F600 AromaticContact CD2-CG 3.84Å; F348-F600 HydrophobicContact CD2-CG 3.84Å; F348-F600 AromaticContact CD2-CZ 3.44Å; F348-F600 HydrophobicContact CD2-CZ 3.44Å; F348-F600 VanDerWaalsContact CD2-CZ 3.44Å; F348-F600 HydrophobicContact CE1-CB 3.15Å; F348-F600 AromaticContact CE1-CD1 3.76Å; F348-F600 HydrophobicContact CE1-CD1 3.76Å; F348-F600 AromaticContact CE1-CD2 3.48Å; F348-F600 HydrophobicContact CE1-CD2 3.48Å; F348-F600 VanDerWaalsContact CE1-CD2 3.48Å; F348-F600 HydrophobicContact CE1-CE1 4.47Å; F348-F600 HydrophobicContact CE1-CE2 4.2Å; F348-F600 AromaticContact CE1-CG 3.18Å; F348-F600 HydrophobicContact CE1-CG 3.18Å; F348-F600 HydrophobicContact CE2-CB 4.48Å; F348-F600 AromaticContact CE2-CD1 3.77Å; F348-F600 HydrophobicContact CE2-CD1 3.77Å; F348-F600 AromaticContact CE2-CD2 3.29Å; F348-F600 HydrophobicContact CE2-CD2 3.29Å; F348-F600 AromaticContact CE2-CE1 3.64Å; F348-F600 HydrophobicContact CE2-CE1 3.64Å; F348-F600 AromaticContact CE2-CE2 3.1Å; F348-F600 HydrophobicContact CE2-CE2 3.1Å; F348-F600 AromaticContact CE2-CG 3.6Å; F348-F600 HydrophobicContact CE2-CG 3.6Å; F348-F600 AromaticContact CE2-CZ 3.3Å; F348-F600 HydrophobicContact CE2-CZ 3.3Å; F348-F600 HydrophobicContact CG-CB 4.32Å; F348-F600 AromaticContact CG-CD1 3.42Å; F348-F600 HydrophobicContact CG-CD1 3.42Å; F348-F600 VanDerWaalsContact CG-CD1 3.42Å; F348-F600 HydrophobicContact CG-CD2 4.37Å; F348-F600 AromaticContact CG-CE1 3.67Å; F348-F600 HydrophobicContact CG-CE1 3.67Å; F348-F600 AromaticContact CG-CG 3.81Å; F348-F600 HydrophobicContact CG-CG 3.81Å; F348-F600 HydrophobicContact CG-CZ 4.22Å; F348-F600 HydrophobicContact CZ-CB 3.73Å; F348-F600 AromaticContact CZ-CD1 3.89Å; F348-F600 HydrophobicContact CZ-CD1 3.89Å; F348-F600 AromaticContact CZ-CD2 3.01Å; F348-F600 HydrophobicContact CZ-CD2 3.01Å; F348-F600 HydrophobicContact CZ-CE1 4.22Å; F348-F600 AromaticContact CZ-CE2 3.38Å; F348-F600 HydrophobicContact CZ-CE2 3.38Å; F348-F600 AromaticContact CZ-CG 3.27Å; F348-F600 HydrophobicContact CZ-CG 3.27Å; F348-F600 AromaticContact CZ-CZ 3.98Å; F348-F600 HydrophobicContact CZ-CZ 3.98Å; V531-F600 HydrophobicContact CG1-CD2 3.98Å; V531-F600 HydrophobicContact CG1-CE2 4.02Å; S532-F600 PolarHBondContact O-N 2.86Å; I533-F600 WeakPolarHBondContact CA-O 3.32Å; G534-F600 PolarHBondContact N-O 2.95Å; F598-F600 HydrophobicContact CB-CD2 4.12Å; F598-F600 HydrophobicContact CB-CE2 3.46Å; F598-F600 VanDerWaalsContact CB-CE2 3.46Å; F598-F600 HydrophobicContact CB-CZ 4.05Å; F598-F600 HydrophobicContact CD1-CE2 4.31Å; F598-F600 HydrophobicContact CD1-CZ 4.09Å; F598-F600 HydrophobicContact CG-CE2 4.21Å; F598-F600 HydrophobicContact CG-CZ 4.45Å; F600-Y629 HydrophobicContact CB-CE1 4.36Å; F600-Y629 WeakPolarHBondContact CB-OH 3.48Å; F600-Y629 HydrophobicContact CD1-CE1 4.04Å; F600-D635 HydrophobicContact CE1-CB 3.9Å; F600-D635 HydrophobicContact CZ-CB 4.06Å |
| 601 | A | 87 | Confident | 88.4 | Confident | 8 Ų | 8 | 40.8 Ų | 40.8 | 7% | 0.066 | 23% | 0.228 | C | C | . | . | trans | -139.9 | 108.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | I537 | I537-A601 HydrophobicContact CD1-CB 4.11Å; I537-A601 HydrophobicContact CG1-CB 4.01Å | ||
| 602 | P | 82.1 | Confident | 88.2 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 141.3 | -175.7 | 27.2 | -31.5 | 0 | 0 | 0 | 111 | G536 I537 L604 V625 Y628 Y629 | G536-P602 CarbonylContact C-O 3.44Å; G536-P602 VanDerWaalsContact CA-O 3.25Å; G536-P602 WeakPolarHBondContact CA-O 3.38Å; I537-P602 PolarHBondContact N-O 3.43Å; P602-L604 PolarHBondContact O-N 3.16Å; P602-V625 HydrophobicContact CB-CG2 4.3Å; P602-V625 HydrophobicContact CG-CG1 4.32Å; P602-V625 HydrophobicContact CG-CG2 3.84Å; P602-Y628 HydrophobicContact CB-CD1 3.67Å; P602-Y628 HydrophobicContact CB-CE1 4.18Å; P602-Y628 HydrophobicContact CB-CG 3.98Å; P602-Y629 HydrophobicContact CB-CE2 4.17Å; P602-Y629 WeakPolarHBondContact CD-OH 3.4Å; P602-Y629 HydrophobicContact CG-CE2 4.23Å |
| 603 | K | 82.8 | Confident | 88 | Confident | 149 Ų | 149 | 40.2 Ų | 40.2 | 65% | 0.648 | 21% | 0.209 | S | C | * | . | B | Isolated β-bridge | trans | -75.2 | 123.6 | 171 | -70.1 | -178.6 | -179 | 176.9 | 0 | 109 | Y628 | K603-Y628 HydrophobicContact CB-CE2 4.24Å; K603-Y628 HydrophobicContact CG-CE2 4.45Å |
| 604 | L | 84 | Confident | 88 | Confident | 8 Ų | 8 | 39.6 Ų | 39.6 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -85.8 | 138.9 | 179.2 | -52.6 | -175.9 | 0 | 0 | 0 | 109.7 | I537 P602 L621 | I537-L604 WeakPolarHBondContact O-CB 3.32Å; I537-L604 WeakPolarHBondContact O-CG 3.32Å; I537-L604 PolarHBondContact O-N 3.42Å; P602-L604 PolarHBondContact O-N 3.16Å; L604-L621 HydrophobicContact CD1-CD1 4.08Å; L604-L621 HydrophobicContact CD2-CD1 3.45Å; L604-L621 VanDerWaalsContact CD2-CD1 3.45Å; L604-L621 HydrophobicContact CG-CD1 4.35Å |
| 605 | S | 84 | Confident | 88 | Confident | 88 Ų | 88 | 37.8 Ų | 37.8 | 62% | 0.615 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -81.2 | -22 | 177.7 | 73.3 | 0 | 0 | 0 | 0 | 112.6 | Q624 | S605-Q624 VanDerWaalsContact N-OE1 3.07Å; S605-Q624 PolarHBondContact OG-NE2 3.39Å; S605-Q624 PolarHBondContact OG-OE1 3.21Å |
| 606 | S | 84.7 | Confident | 88 | Confident | 44 Ų | 44 | 43.2 Ų | 43.2 | 31% | 0.308 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -135.3 | 160.1 | -178.7 | 63.1 | 0 | 0 | 0 | 0 | 111.6 | ||
| 607 | F | 83.5 | Confident | 88 | Confident | 141 Ų | 141 | 46.2 Ų | 46.2 | 62% | 0.618 | 23% | 0.232 | S | C | * | . | trans | -75.3 | 126.5 | 172.8 | -178.1 | -93.5 | 0 | 0 | 0 | 110 | A609 | F607-A609 HydrophobicContact CE1-CB 4.38Š| ||
| 608 | V | 86.7 | Confident | 87.9 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | trans | -117.3 | 126.8 | 172.4 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | R337 E612 L618 L621 | R337-V608 WeakPolarHBondContact CD-O 3.29Å; R337-V608 HydrophobicContact CG-CB 4.26Å; R337-V608 HydrophobicContact CG-CG1 4.25Å; V608-E612 HydrophobicContact CG1-CB 3.78Å; V608-E612 HydrophobicContact CG1-CG 4.01Å; V608-L618 HydrophobicContact CG1-CD2 4.32Å; V608-L621 HydrophobicContact CG1-CD2 4.23Å; V608-L621 HydrophobicContact CG2-CB 4.34Å; V608-L621 HydrophobicContact CG2-CD1 4.26Å | ||
| 609 | A | 84.9 | Confident | 87.9 | Confident | 22 Ų | 22 | 45.5 Ų | 45.5 | 18% | 0.182 | 23% | 0.229 | C | C | . | . | trans | -67.8 | 151.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F607 D611 E612 | F607-A609 HydrophobicContact CE1-CB 4.38Å; A609-D611 PolarHBondContact O-N 2.9Å; A609-E612 HydrophobicContact CB-CB 4.27Å; A609-E612 WeakPolarHBondContact O-CB 3.49Å; A609-E612 PolarHBondContact O-N 2.82Å | ||
| 610 | L | 83.9 | Confident | 87.9 | Confident | 86 Ų | 86 | 46.6 Ų | 46.6 | 45% | 0.45 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -23.9 | 177.1 | -61.7 | 178 | 0 | 0 | 0 | 112.9 | G334 G335 L336 R337 | G334-L610 VanDerWaalsContact C-CD2 3.43Å; G334-L610 WeakPolarHBondContact O-CD2 3.47Å; G335-L610 CarbonylContact C-O 3.48Å; G335-L610 VanDerWaalsContact CA-O 3.28Å; G335-L610 WeakPolarHBondContact CA-O 3.47Å; L336-L610 PolarHBondContact N-O 3.44Å; R337-L610 VanDerWaalsContact NE-CD2 3.35Å; R337-L610 VanDerWaalsContact NH2-CD2 3.34Å |
| 611 | D | 86.2 | Confident | 88 | Confident | 18 Ų | 18 | 46.6 Ų | 46.6 | 10% | 0.096 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | 30.8 | 179.4 | 66 | -29.2 | 0 | 0 | 0 | 111.8 | F402 R406 Y408 A609 K613 | F402-D611 HydrophobicContact CD1-CB 3.62Å; F402-D611 HydrophobicContact CD2-CB 4.3Å; F402-D611 HydrophobicContact CE1-CB 3.68Å; F402-D611 HydrophobicContact CE2-CB 4.4Å; F402-D611 HydrophobicContact CG-CB 3.93Å; F402-D611 HydrophobicContact CZ-CB 4.07Å; R406-D611 IonicContact CZ-OD1 3.51Å; R406-D611 IonicContact CZ-OD2 3.55Å; R406-D611 IonicContact NE-OD2 2.69Å; R406-D611 PolarHBondContact NE-OD2 3.19Å; R406-D611 IonicContact NH2-OD1 2.84Å; R406-D611 PolarHBondContact NH2-OD1 3.45Å; R406-D611 IonicContact NH2-OD2 2.82Å; R406-D611 PolarHBondContact NH2-OD2 3.43Å; Y408-D611 HydrophobicContact CE2-CB 4.17Å; Y408-D611 WeakPolarHBondContact CE2-OD2 3.45Å; Y408-D611 PolarHBondContact OH-OD2 2.94Å; A609-D611 PolarHBondContact O-N 2.9Å; D611-K613 WeakPolarHBondContact O-CG 3.34Å; D611-K613 PolarHBondContact O-N 2.95Å |
| 612 | E | 90.4 | Very high | 88.1 | Confident | 37 Ų | 37 | 46.2 Ų | 46.2 | 17% | 0.173 | 23% | 0.233 | C | C | . | . | trans | -58.4 | 131.6 | 178.5 | -179.5 | 55.7 | -100 | 0 | 0 | 112.2 | L336 V608 A609 D614 L617 L618 | L336-E612 WeakPolarHBondContact CD1-O 3.46Å; V608-E612 HydrophobicContact CG1-CB 3.78Å; V608-E612 HydrophobicContact CG1-CG 4.01Å; A609-E612 HydrophobicContact CB-CB 4.27Å; A609-E612 WeakPolarHBondContact O-CB 3.49Å; A609-E612 PolarHBondContact O-N 2.82Å; E612-D614 WeakPolarHBondContact OE1-CB 3.45Å; E612-D614 PolarHBondContact OE1-N 2.92Å; E612-L617 HydrophobicContact CG-CB 4.06Å; E612-L617 HydrophobicContact CG-CD1 4.35Å; E612-L617 VanDerWaalsContact OE2-CD1 3.3Å; E612-L617 WeakPolarHBondContact OE2-CD1 3.45Å; E612-L618 HydrophobicContact CB-CD2 3.93Å; E612-L618 HydrophobicContact CG-CD2 3.81Å; E612-L618 HydrophobicContact CG-CG 4.09Å | ||
| 613 | K | 89.5 | Confident | 88.3 | Confident | 73 Ų | 73 | 48 Ų | 48 | 32% | 0.317 | 24% | 0.239 | S | C | . | . | trans | -115.9 | -17 | -177 | -56 | 175.1 | -146.3 | 179.4 | 0 | 112.8 | K398 F402 D611 D615 | K398-K613 PolarHBondContact NZ-O 2.97Å; F402-K613 HydrophobicContact CB-CD 4.07Å; F402-K613 HydrophobicContact CB-CG 4.39Å; F402-K613 WeakPolarHBondContact O-CD 3.32Å; F402-K613 WeakPolarHBondContact O-CE 3.35Å; F402-K613 PolarHBondContact O-NZ 3.04Å; D611-K613 WeakPolarHBondContact O-CG 3.34Å; D611-K613 PolarHBondContact O-N 2.95Å; K613-D615 PolarHBondContact O-N 2.98Å; K613-D615 VanDerWaalsContact O-N 3.15Å | ||
| 614 | D | 92 | Very high | 88.3 | Confident | 71 Ų | 71 | 43 Ų | 43 | 38% | 0.38 | 22% | 0.218 | S | C | . | . | trans | -65.4 | 114.1 | -179.3 | -169.9 | -16.7 | 0 | 0 | 0 | 109.9 | E612 R616 L617 L618 | E612-D614 WeakPolarHBondContact OE1-CB 3.45Å; E612-D614 PolarHBondContact OE1-N 2.92Å; D614-R616 PolarHBondContact O-N 2.87Å; D614-R616 WeakPolarHBondContact OD1-CB 3.39Å; D614-R616 PolarHBondContact OD1-N 3.07Å; D614-L617 HydrophobicContact CB-CB 4.27Å; D614-L617 HydrophobicContact CB-CD1 4.12Å; D614-L617 HydrophobicContact CB-CG 4.16Å; D614-L617 PolarHBondContact O-N 3.02Å; D614-L618 WeakPolarHBondContact O-CG 3.45Å; D614-L618 PolarHBondContact O-N 3.36Å | ||
| 615 | D | 93.2 | Very high | 88.2 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 6% | 0.064 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -53.7 | -35.7 | 176.6 | -69 | -59.3 | 0 | 0 | 0 | 111.5 | L200 A201 T204 K398 K613 I619 | L200-D615 HydrophobicContact CD2-CB 4.21Å; L200-D615 HydrophobicContact CG-CB 4.34Å; A201-D615 VanDerWaalsContact CA-OD2 3.31Å; A201-D615 WeakPolarHBondContact CA-OD2 3.35Å; A201-D615 WeakPolarHBondContact CB-OD2 3.46Å; T204-D615 WeakPolarHBondContact CG2-OD1 3.48Å; K398-D615 WeakPolarHBondContact CE-OD1 3.31Å; K398-D615 IonicContact NZ-OD1 2.72Å; K398-D615 PolarHBondContact NZ-OD1 3.06Å; K398-D615 IonicContact NZ-OD2 3.86Å; K613-D615 PolarHBondContact O-N 2.98Å; K613-D615 VanDerWaalsContact O-N 3.15Å; D615-I619 HydrophobicContact CB-CD1 4.47Å; D615-I619 WeakPolarHBondContact O-CB 3.38Å; D615-I619 VanDerWaalsContact O-CD1 3.26Å; D615-I619 WeakPolarHBondContact O-CD1 3.4Å; D615-I619 WeakPolarHBondContact O-CG1 3.18Å; D615-I619 PolarHBondContact O-N 3.28Å |
| 616 | R | 94 | Very high | 87.8 | Confident | 120 Ų | 120 | 38.8 Ų | 38.8 | 45% | 0.453 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64 | -50.8 | 179.3 | -65.7 | 178.8 | 178.8 | 179.7 | -1.6 | 111.4 | L200 D614 L618 I619 D620 | L200-R616 HydrophobicContact CD2-CB 4.33Å; L200-R616 HydrophobicContact CD2-CG 3.41Å; L200-R616 VanDerWaalsContact CD2-CG 3.41Å; D614-R616 PolarHBondContact O-N 2.87Å; D614-R616 WeakPolarHBondContact OD1-CB 3.39Å; D614-R616 PolarHBondContact OD1-N 3.07Å; R616-L618 VanDerWaalsContact C-N 3.34Å; R616-L618 PolarHBondContact O-N 3.37Å; R616-I619 PolarHBondContact O-N 3Å; R616-D620 WeakPolarHBondContact O-CB 3.37Å; R616-D620 PolarHBondContact O-N 3.46Å |
| 617 | L | 93.2 | Very high | 87.1 | Confident | 64 Ų | 64 | 38.8 Ų | 38.8 | 34% | 0.335 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.3 | -38.9 | -178.8 | -67.3 | 177.5 | 0 | 0 | 0 | 111.8 | E612 D614 D620 L621 | E612-L617 HydrophobicContact CG-CB 4.06Å; E612-L617 HydrophobicContact CG-CD1 4.35Å; E612-L617 VanDerWaalsContact OE2-CD1 3.3Å; E612-L617 WeakPolarHBondContact OE2-CD1 3.45Å; D614-L617 HydrophobicContact CB-CB 4.27Å; D614-L617 HydrophobicContact CB-CD1 4.12Å; D614-L617 HydrophobicContact CB-CG 4.16Å; D614-L617 PolarHBondContact O-N 3.02Å; L617-D620 PolarHBondContact O-N 3.33Å; L617-L621 WeakPolarHBondContact O-CB 3.48Å; L617-L621 PolarHBondContact O-N 3.38Å |
| 618 | L | 92.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.9 | -37.2 | 176.4 | -64.4 | -178.4 | 0 | 0 | 0 | 112.6 | L336 L339 F395 K398 V608 E612 D614 R616 L621 C622 | L336-L618 HydrophobicContact CB-CD2 4.4Å; L339-L618 HydrophobicContact CD1-CB 4.25Å; L339-L618 HydrophobicContact CD1-CD1 4.21Å; L339-L618 HydrophobicContact CD1-CD2 4.1Å; L339-L618 HydrophobicContact CD1-CG 4.43Å; F395-L618 HydrophobicContact CE1-CB 4.14Å; F395-L618 HydrophobicContact CZ-CB 4.47Å; K398-L618 HydrophobicContact CD-CD1 3.25Å; K398-L618 HydrophobicContact CG-CD1 4.46Å; V608-L618 HydrophobicContact CG1-CD2 4.32Å; E612-L618 HydrophobicContact CB-CD2 3.93Å; E612-L618 HydrophobicContact CG-CD2 3.81Å; E612-L618 HydrophobicContact CG-CG 4.09Å; D614-L618 WeakPolarHBondContact O-CG 3.45Å; D614-L618 PolarHBondContact O-N 3.36Å; R616-L618 VanDerWaalsContact C-N 3.34Å; R616-L618 PolarHBondContact O-N 3.37Å; L618-L621 WeakPolarHBondContact O-CB 3.18Å; L618-C622 WeakPolarHBondContact O-CB 3.35Å; L618-C622 PolarHBondContact O-N 3.29Å; L618-C622 PolarHBondContact O-SG 3.28Å |
| 619 | I | 92.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.4 | -45.1 | 173.3 | -75.6 | 164.5 | 0 | 0 | 0 | 110 | L200 K237 A238 I241 D615 R616 L621 C622 W623 | L200-I619 HydrophobicContact CD1-CD1 3.69Å; L200-I619 HydrophobicContact CD2-CD1 3.92Å; L200-I619 HydrophobicContact CG-CD1 3.98Å; K237-I619 HydrophobicContact CB-CG2 3.74Å; A238-I619 HydrophobicContact CB-CD1 3.67Å; A238-I619 HydrophobicContact CB-CG1 4.35Å; I241-I619 HydrophobicContact CD1-CB 4.37Å; I241-I619 HydrophobicContact CD1-CG2 3.72Å; I241-I619 WeakPolarHBondContact CD1-O 3.39Å; D615-I619 HydrophobicContact CB-CD1 4.47Å; D615-I619 WeakPolarHBondContact O-CB 3.38Å; D615-I619 VanDerWaalsContact O-CD1 3.26Å; D615-I619 WeakPolarHBondContact O-CD1 3.4Å; D615-I619 WeakPolarHBondContact O-CG1 3.18Å; D615-I619 PolarHBondContact O-N 3.28Å; R616-I619 PolarHBondContact O-N 3Å; I619-L621 VanDerWaalsContact C-N 3.35Å; I619-L621 PolarHBondContact O-N 3.07Å; I619-C622 PolarHBondContact O-N 3.26Å; I619-W623 WeakPolarHBondContact O-CB 3.33Å; I619-W623 PolarHBondContact O-N 3.1Å |
| 620 | D | 91 | Very high | 83.8 | Confident | 34 Ų | 34 | 37.7 Ų | 37.7 | 18% | 0.182 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.7 | -36.4 | 177.7 | -75.5 | -35.6 | 0 | 0 | 0 | 112 | H234 K237 R616 L617 W623 Q624 | H234-D620 IonicContact CE1-OD2 2.98Å; H234-D620 IonicContact ND1-OD2 3.77Å; K237-D620 IonicContact NZ-OD1 3.41Å; K237-D620 PolarHBondContact NZ-OD1 3.41Å; R616-D620 WeakPolarHBondContact O-CB 3.37Å; R616-D620 PolarHBondContact O-N 3.46Å; L617-D620 PolarHBondContact O-N 3.33Å; D620-W623 PolarHBondContact O-N 2.97Å; D620-Q624 WeakPolarHBondContact O-CB 3.47Å; D620-Q624 WeakPolarHBondContact O-CG 3.32Å; D620-Q624 PolarHBondContact O-N 2.91Å |
| 621 | L | 89.8 | Confident | 82.2 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.5 | -52.7 | 169.7 | 173.6 | 65.3 | 0 | 0 | 0 | 110.6 | L339 S340 L604 V608 L617 L618 I619 W623 Q624 V625 | L339-L621 HydrophobicContact CB-CD2 4.49Å; S340-L621 WeakPolarHBondContact OG-CD1 3.05Å; L604-L621 HydrophobicContact CD1-CD1 4.08Å; L604-L621 HydrophobicContact CD2-CD1 3.45Å; L604-L621 VanDerWaalsContact CD2-CD1 3.45Å; L604-L621 HydrophobicContact CG-CD1 4.35Å; V608-L621 HydrophobicContact CG1-CD2 4.23Å; V608-L621 HydrophobicContact CG2-CB 4.34Å; V608-L621 HydrophobicContact CG2-CD1 4.26Å; L617-L621 WeakPolarHBondContact O-CB 3.48Å; L617-L621 PolarHBondContact O-N 3.38Å; L618-L621 WeakPolarHBondContact O-CB 3.18Å; I619-L621 VanDerWaalsContact C-N 3.35Å; I619-L621 PolarHBondContact O-N 3.07Å; L621-W623 VanDerWaalsContact C-N 3.28Å; L621-W623 PolarHBondContact O-N 3.45Å; L621-Q624 PolarHBondContact O-N 3.2Å; L621-V625 HydrophobicContact CD1-CG2 4.41Å; L621-V625 VanDerWaalsContact O-CG2 3.23Å; L621-V625 WeakPolarHBondContact O-CG2 3.32Å; L621-V625 PolarHBondContact O-N 3.49Å |
| 622 | C | 89.2 | Confident | 81.3 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60 | -41.2 | 179.4 | -71 | 0 | 0 | 0 | 0 | 111.5 | I241 Q343 L618 I619 V625 M626 | I241-C622 HydrophobicContact CD1-CB 3.66Å; I241-C622 HydrophobicContact CG1-CB 3.93Å; I241-C622 HydrophobicContact CG2-CB 3.9Å; Q343-C622 HydrophobicContact CB-CB 4.4Å; Q343-C622 HydrophobicContact CG-CB 3.65Å; Q343-C622 VanDerWaalsContact CG-O 3.29Å; Q343-C622 WeakPolarHBondContact CG-O 3.35Å; Q343-C622 PolarHBondContact OE1-SG 3.42Å; Q343-C622 VanDerWaalsContact OE1-SG 3.38Å; L618-C622 WeakPolarHBondContact O-CB 3.35Å; L618-C622 PolarHBondContact O-N 3.29Å; L618-C622 PolarHBondContact O-SG 3.28Å; I619-C622 PolarHBondContact O-N 3.26Å; C622-V625 PolarHBondContact O-N 2.89Å; C622-M626 PolarHBondContact O-N 2.7Å |
| 623 | W | 86.3 | Confident | 80.3 | Confident | 39 Ų | 39 | 46.3 Ų | 46.3 | 15% | 0.148 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.8 | -45.4 | 177.5 | -172.3 | -94.4 | 0 | 0 | 0 | 112.2 | K237 L240 I241 C276 F280 I619 D620 L621 V625 M626 A627 | K237-W623 HydrophobicContact CB-CD2 4.3Å; K237-W623 HydrophobicContact CB-CE3 3.76Å; K237-W623 HydrophobicContact CB-CZ3 4.27Å; K237-W623 HydrophobicContact CD-CB 4.26Å; K237-W623 HydrophobicContact CD-CD2 3.96Å; K237-W623 HydrophobicContact CD-CE3 4.28Å; K237-W623 HydrophobicContact CD-CG 3.9Å; K237-W623 HydrophobicContact CG-CD2 3.68Å; K237-W623 HydrophobicContact CG-CE3 3.54Å; K237-W623 HydrophobicContact CG-CG 4.16Å; K237-W623 HydrophobicContact CG-CZ3 4Å; L240-W623 HydrophobicContact CB-CZ3 3.92Å; L240-W623 HydrophobicContact CD1-CH2 3.67Å; L240-W623 HydrophobicContact CD1-CZ3 3.58Å; L240-W623 HydrophobicContact CG-CZ3 4.41Å; I241-W623 HydrophobicContact CD1-CB 4.03Å; I241-W623 HydrophobicContact CD1-CE3 4.23Å; I241-W623 HydrophobicContact CG1-CE3 4.32Å; C276-W623 HydrophobicContact CB-CH2 3.48Å; C276-W623 VanDerWaalsContact CB-CH2 3.48Å; C276-W623 HydrophobicContact CB-CZ2 3.51Å; C276-W623 WeakPolarHBondContact O-CH2 2.98Å; C276-W623 WeakPolarHBondContact SG-CZ2 3.36Å; F280-W623 HydrophobicContact CE2-CH2 4.22Å; I619-W623 WeakPolarHBondContact O-CB 3.33Å; I619-W623 PolarHBondContact O-N 3.1Å; D620-W623 PolarHBondContact O-N 2.97Å; L621-W623 VanDerWaalsContact C-N 3.28Å; L621-W623 PolarHBondContact O-N 3.45Å; W623-V625 VanDerWaalsContact C-N 3.32Å; W623-V625 PolarHBondContact O-N 3.09Å; W623-M626 HydrophobicContact CD2-CE 3.94Å; W623-M626 HydrophobicContact CE3-CE 3.21Å; W623-M626 HydrophobicContact CH2-CE 3.6Å; W623-M626 HydrophobicContact CZ2-CE 4.25Å; W623-M626 HydrophobicContact CZ3-CE 3.04Å; W623-M626 WeakPolarHBondContact O-CB 3.45Å; W623-M626 PolarHBondContact O-N 2.71Å; W623-A627 PolarHBondContact O-N 3.24Å |
| 624 | Q | 82.4 | Confident | 79.7 | Confident | 43 Ų | 43 | 48.8 Ų | 48.8 | 20% | 0.201 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.2 | -41.7 | 178.3 | -73.9 | 169.7 | 36 | 0 | 0 | 112 | S605 D620 L621 M626 A627 Y628 | S605-Q624 VanDerWaalsContact N-OE1 3.07Å; S605-Q624 PolarHBondContact OG-NE2 3.39Å; S605-Q624 PolarHBondContact OG-OE1 3.21Å; D620-Q624 WeakPolarHBondContact O-CB 3.47Å; D620-Q624 WeakPolarHBondContact O-CG 3.32Å; D620-Q624 PolarHBondContact O-N 2.91Å; L621-Q624 PolarHBondContact O-N 3.2Å; Q624-M626 VanDerWaalsContact C-N 3.32Å; Q624-A627 PolarHBondContact O-N 3.44Å; Q624-Y628 VanDerWaalsContact O-CB 3.31Å; Q624-Y628 WeakPolarHBondContact O-CB 3.26Å; Q624-Y628 PolarHBondContact O-N 3.19Å |
| 625 | V | 81 | Confident | 79.1 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.6 | -45.2 | 176.8 | 172.4 | 0 | 0 | 0 | 0 | 110 | S340 Q343 T349 P602 L621 C622 W623 A627 Y628 Y629 | S340-V625 WeakPolarHBondContact O-CG1 3.27Å; Q343-V625 HydrophobicContact CB-CG1 4.28Å; T349-V625 HydrophobicContact CG2-CG1 3.78Å; P602-V625 HydrophobicContact CB-CG2 4.3Å; P602-V625 HydrophobicContact CG-CG1 4.32Å; P602-V625 HydrophobicContact CG-CG2 3.84Å; L621-V625 HydrophobicContact CD1-CG2 4.41Å; L621-V625 VanDerWaalsContact O-CG2 3.23Å; L621-V625 WeakPolarHBondContact O-CG2 3.32Å; L621-V625 PolarHBondContact O-N 3.49Å; C622-V625 PolarHBondContact O-N 2.89Å; W623-V625 VanDerWaalsContact C-N 3.32Å; W623-V625 PolarHBondContact O-N 3.09Å; V625-A627 VanDerWaalsContact C-N 3.35Å; V625-A627 PolarHBondContact O-N 2.83Å; V625-Y628 PolarHBondContact O-N 3.41Å; V625-Y629 HydrophobicContact CG1-CD2 3.96Å; V625-Y629 HydrophobicContact CG1-CE2 3.83Å; V625-Y629 VanDerWaalsContact O-CD2 3.23Å; V625-Y629 WeakPolarHBondContact O-CD2 3.43Å; V625-Y629 PolarHBondContact O-N 2.72Å |
| 626 | M | 76.6 | Confident | 78.4 | Confident | 7 Ų | 7 | 45.6 Ų | 45.6 | 3% | 0.034 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.6 | -43.9 | 175.8 | 172.9 | 158 | 87 | 0 | 0 | 112.7 | F280 A344 C622 W623 Q624 | F280-M626 HydrophobicContact CE1-SD 4.23Å; F280-M626 HydrophobicContact CE2-CE 4.14Å; F280-M626 HydrophobicContact CZ-CE 3.61Å; F280-M626 HydrophobicContact CZ-CG 4.42Å; F280-M626 HydrophobicContact CZ-SD 3.64Å; A344-M626 WeakPolarHBondContact O-CB 3.22Å; A344-M626 VanDerWaalsContact O-SD 3.42Å; C622-M626 PolarHBondContact O-N 2.7Å; W623-M626 HydrophobicContact CD2-CE 3.94Å; W623-M626 HydrophobicContact CE3-CE 3.21Å; W623-M626 HydrophobicContact CH2-CE 3.6Å; W623-M626 HydrophobicContact CZ2-CE 4.25Å; W623-M626 HydrophobicContact CZ3-CE 3.04Å; W623-M626 WeakPolarHBondContact O-CB 3.45Å; W623-M626 PolarHBondContact O-N 2.71Å; Q624-M626 VanDerWaalsContact C-N 3.32Å |
| 627 | A | 71 | Confident | 77.8 | Confident | 44 Ų | 44 | 43.8 Ų | 43.8 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -72.3 | -36.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | W623 Q624 V625 Y629 Q630 | W623-A627 PolarHBondContact O-N 3.24Å; Q624-A627 PolarHBondContact O-N 3.44Å; V625-A627 VanDerWaalsContact C-N 3.35Å; V625-A627 PolarHBondContact O-N 2.83Å; A627-Y629 VanDerWaalsContact C-N 3.32Å; A627-Y629 PolarHBondContact O-N 3.36Å; A627-Q630 WeakPolarHBondContact O-CB 3.5Å; A627-Q630 PolarHBondContact O-N 3.42Å |
| 628 | Y | 67.2 | Low | 77.4 | Confident | 63 Ų | 63 | 42.5 Ų | 42.5 | 25% | 0.247 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.7 | -40.1 | -178.4 | 176.4 | -93.6 | 0 | 0 | 0 | 112.1 | P602 K603 Q624 V625 Q630 | P602-Y628 HydrophobicContact CB-CD1 3.67Å; P602-Y628 HydrophobicContact CB-CE1 4.18Å; P602-Y628 HydrophobicContact CB-CG 3.98Å; K603-Y628 HydrophobicContact CB-CE2 4.24Å; K603-Y628 HydrophobicContact CG-CE2 4.45Å; Q624-Y628 VanDerWaalsContact O-CB 3.31Å; Q624-Y628 WeakPolarHBondContact O-CB 3.26Å; Q624-Y628 PolarHBondContact O-N 3.19Å; V625-Y628 PolarHBondContact O-N 3.41Å; Y628-Q630 VanDerWaalsContact C-N 3.28Å; Y628-Q630 PolarHBondContact O-N 3.43Å |
| 629 | Y | 63 | Low | 77.2 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -75.6 | -15.1 | -173.1 | -78.3 | -65.6 | 0 | 0 | 0 | 114.6 | D347 F348 T349 F600 P602 V625 A627 M631 K632 | D347-Y629 VanDerWaalsContact CB-C 3.44Å; D347-Y629 WeakPolarHBondContact CB-O 3.38Å; F348-Y629 HydrophobicContact CB-CD1 3.49Å; F348-Y629 VanDerWaalsContact CB-CD1 3.49Å; F348-Y629 HydrophobicContact CB-CD2 4.46Å; F348-Y629 HydrophobicContact CB-CE1 3.7Å; F348-Y629 HydrophobicContact CB-CG 3.86Å; F348-Y629 HydrophobicContact CD1-CD1 4.49Å; F348-Y629 AromaticContact CD1-CE1 3.85Å; F348-Y629 HydrophobicContact CD1-CE1 3.85Å; F348-Y629 HydrophobicContact CD1-CE2 4.4Å; F348-Y629 AromaticContact CD1-CZ 3.77Å; F348-Y629 HydrophobicContact CG-CD1 4.38Å; F348-Y629 HydrophobicContact CG-CE1 4.1Å; F348-Y629 WeakPolarHBondContact O-CD2 2.92Å; F348-Y629 WeakPolarHBondContact O-CE2 3.41Å; T349-Y629 HydrophobicContact CG2-CD2 4.22Å; T349-Y629 HydrophobicContact CG2-CE2 4.04Å; F600-Y629 HydrophobicContact CB-CE1 4.36Å; F600-Y629 WeakPolarHBondContact CB-OH 3.48Å; F600-Y629 HydrophobicContact CD1-CE1 4.04Å; P602-Y629 HydrophobicContact CB-CE2 4.17Å; P602-Y629 WeakPolarHBondContact CD-OH 3.4Å; P602-Y629 HydrophobicContact CG-CE2 4.23Å; V625-Y629 HydrophobicContact CG1-CD2 3.96Å; V625-Y629 HydrophobicContact CG1-CE2 3.83Å; V625-Y629 VanDerWaalsContact O-CD2 3.23Å; V625-Y629 WeakPolarHBondContact O-CD2 3.43Å; V625-Y629 PolarHBondContact O-N 2.72Å; A627-Y629 VanDerWaalsContact C-N 3.32Å; A627-Y629 PolarHBondContact O-N 3.36Å; Y629-M631 PolarHBondContact O-N 3.21Å; Y629-K632 HydrophobicContact CD1-CB 4.38Å; Y629-K632 HydrophobicContact CD1-CD 4.45Å; Y629-K632 HydrophobicContact CE1-CD 4.46Å; Y629-K632 PolarHBondContact O-N 3.12Å |
| 630 | Q | 55.7 | Low | 76.8 | Confident | 77 Ų | 77 | 46.2 Ų | 46.2 | 36% | 0.36 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -11.1 | 172.4 | -71.2 | -177.7 | -35.4 | 0 | 0 | 114 | E346 D347 A627 Y628 | E346-Q630 PolarHBondContact OE2-NE2 3.45Å; D347-Q630 WeakPolarHBondContact OD2-CA 3.38Å; A627-Q630 WeakPolarHBondContact O-CB 3.5Å; A627-Q630 PolarHBondContact O-N 3.42Å; Y628-Q630 VanDerWaalsContact C-N 3.28Å; Y628-Q630 PolarHBondContact O-N 3.43Å |
| 631 | M | 50.3 | Low | 76.5 | Confident | 166 Ų | 166 | 49.2 Ų | 49.2 | 82% | 0.818 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | 0.8 | -179.3 | -55.3 | -177.3 | 72.3 | 0 | 0 | 115.3 | Y629 | Y629-M631 PolarHBondContact O-N 3.21Š|
| 632 | K | 66.9 | Low | 76.3 | Confident | 53 Ų | 53 | 49.4 Ų | 49.4 | 23% | 0.23 | 25% | 0.248 | C | C | . | . | trans | -122 | 26.4 | -170.3 | -74.9 | -154.3 | 170.9 | -153.1 | 0 | 116 | Y629 D634 D635 | Y629-K632 HydrophobicContact CD1-CB 4.38Å; Y629-K632 HydrophobicContact CD1-CD 4.45Å; Y629-K632 HydrophobicContact CE1-CD 4.46Å; Y629-K632 PolarHBondContact O-N 3.12Å; K632-D634 VanDerWaalsContact C-N 3.32Å; K632-D634 PolarHBondContact O-N 3.15Å; K632-D635 PolarHBondContact O-N 2.99Å | ||
| 633 | Q | 68.1 | Low | 76.1 | Confident | 104 Ų | 104 | 50 Ų | 50 | 49% | 0.486 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -56.7 | -39.4 | -176.2 | -169.1 | 175 | -8.4 | 0 | 0 | 114.2 | D635 L636 D637 | Q633-D635 VanDerWaalsContact C-N 3.3Å; Q633-D635 PolarHBondContact O-N 3.26Å; Q633-L636 WeakPolarHBondContact O-CB 3.33Å; Q633-L636 PolarHBondContact O-N 3.47Å; Q633-L636 VanDerWaalsContact O-N 3.07Å; Q633-D637 PolarHBondContact O-N 3.05Å; Q633-D637 VanDerWaalsContact O-N 3.1Å |
| 634 | D | 77.9 | Confident | 75.4 | Confident | 124 Ų | 124 | 50.1 Ų | 50.1 | 66% | 0.663 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -60.3 | -35.6 | -178.6 | -64.9 | -22.6 | 0 | 0 | 0 | 113.6 | K632 L636 S638 | K632-D634 VanDerWaalsContact C-N 3.32Å; K632-D634 PolarHBondContact O-N 3.15Å; D634-L636 VanDerWaalsContact C-N 3.29Å; D634-L636 PolarHBondContact O-N 2.76Å; D634-S638 VanDerWaalsContact O-CB 3.25Å; D634-S638 WeakPolarHBondContact O-CB 3.46Å; D634-S638 PolarHBondContact O-N 2.95Å; D634-S638 PolarHBondContact O-OG 2.62Å |
| 635 | D | 79.8 | Confident | 74.4 | Confident | 13 Ų | 13 | 51.3 Ų | 51.3 | 7% | 0.07 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.5 | -36 | 178.6 | -80.8 | 5.1 | 0 | 0 | 0 | 110.8 | R307 F598 F600 K632 Q633 L639 | R307-D635 IonicContact CZ-OD1 2.72Å; R307-D635 IonicContact CZ-OD2 3.65Å; R307-D635 IonicContact NE-OD1 2.9Å; R307-D635 IonicContact NH1-OD1 3.13Å; R307-D635 PolarHBondContact NH1-OD1 3.45Å; R307-D635 IonicContact NH1-OD2 3.33Å; R307-D635 PolarHBondContact NH1-OD2 2.92Å; R307-D635 IonicContact NH2-OD1 2.69Å; R307-D635 PolarHBondContact NH2-OD1 3.26Å; R307-D635 IonicContact NH2-OD2 3.12Å; F598-D635 HydrophobicContact CD1-CB 4.39Å; F598-D635 VanDerWaalsContact CE1-O 3.31Å; F598-D635 WeakPolarHBondContact CE1-O 3.47Å; F600-D635 HydrophobicContact CE1-CB 3.9Å; F600-D635 HydrophobicContact CZ-CB 4.06Å; K632-D635 PolarHBondContact O-N 2.99Å; Q633-D635 VanDerWaalsContact C-N 3.3Å; Q633-D635 PolarHBondContact O-N 3.26Å; D635-L639 WeakPolarHBondContact O-CB 3.3Å; D635-L639 PolarHBondContact O-N 2.99Å |
| 636 | L | 76.9 | Confident | 72.9 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -74 | -43.1 | 178.6 | -95.7 | -159.7 | 0 | 0 | 0 | 113 | D347 F348 V352 L353 K356 Q633 D634 S638 L639 K640 | D347-L636 WeakPolarHBondContact O-CD1 3.38Å; D347-L636 VanDerWaalsContact O-CG 3.26Å; D347-L636 WeakPolarHBondContact O-CG 3.44Å; F348-L636 HydrophobicContact CB-CG 4.44Å; F348-L636 HydrophobicContact CD2-CD1 4.49Å; F348-L636 HydrophobicContact CD2-CD2 3.39Å; F348-L636 HydrophobicContact CD2-CG 3.87Å; F348-L636 HydrophobicContact CE2-CD2 3.87Å; V352-L636 HydrophobicContact CG1-CD1 4.1Å; L353-L636 HydrophobicContact CD2-CD2 3.51Å; L353-L636 HydrophobicContact CG-CD2 4.46Å; K356-L636 HydrophobicContact CD-CD1 3.39Å; Q633-L636 WeakPolarHBondContact O-CB 3.33Å; Q633-L636 PolarHBondContact O-N 3.47Å; Q633-L636 VanDerWaalsContact O-N 3.07Å; D634-L636 VanDerWaalsContact C-N 3.29Å; D634-L636 PolarHBondContact O-N 2.76Å; L636-S638 PolarHBondContact O-N 3.24Å; L636-L639 HydrophobicContact CD2-CD2 4.33Å; L636-L639 PolarHBondContact O-N 3.06Å; L636-K640 WeakPolarHBondContact O-CB 3.45Å; L636-K640 PolarHBondContact O-N 2.75Å |
| 637 | D | 82.1 | Confident | 71.3 | Confident | 81 Ų | 81 | 58.4 Ų | 58.4 | 43% | 0.433 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 177.5 | -71.4 | -24.2 | 0 | 0 | 0 | 110.3 | Q633 K640 L641 | Q633-D637 PolarHBondContact O-N 3.05Å; Q633-D637 VanDerWaalsContact O-N 3.1Å; D637-K640 PolarHBondContact O-N 2.74Å; D637-L641 WeakPolarHBondContact O-CB 3.3Å; D637-L641 PolarHBondContact O-N 3.5Å |
| 638 | S | 86.1 | Confident | 70.1 | Confident | 37 Ų | 37 | 63.1 Ų | 63.1 | 26% | 0.259 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 171.3 | -65.8 | 0 | 0 | 0 | 0 | 112.8 | D634 L636 L641 L642 | D634-S638 VanDerWaalsContact O-CB 3.25Å; D634-S638 WeakPolarHBondContact O-CB 3.46Å; D634-S638 PolarHBondContact O-N 2.95Å; D634-S638 PolarHBondContact O-OG 2.62Å; L636-S638 PolarHBondContact O-N 3.24Å; S638-L641 PolarHBondContact O-N 3.41Å; S638-L642 WeakPolarHBondContact O-CG 3.23Å; S638-L642 PolarHBondContact O-N 3.46Å; S638-L642 VanDerWaalsContact O-N 3.16Å |
| 639 | L | 86.8 | Confident | 68.7 | Low | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 177.6 | -178.5 | 62.4 | 0 | 0 | 0 | 111.6 | L353 V531 F598 D635 L636 L641 L642 L643 | L353-L639 HydrophobicContact CD2-CD2 4Å; V531-L639 HydrophobicContact CG2-CD1 3.67Å; V531-L639 HydrophobicContact CG2-CD2 4.12Å; F598-L639 HydrophobicContact CD2-CD1 4.08Å; F598-L639 HydrophobicContact CE1-CB 4.16Å; F598-L639 HydrophobicContact CE2-CD1 3.96Å; F598-L639 HydrophobicContact CZ-CB 4.18Å; F598-L639 HydrophobicContact CZ-CD1 4.36Å; D635-L639 WeakPolarHBondContact O-CB 3.3Å; D635-L639 PolarHBondContact O-N 2.99Å; L636-L639 HydrophobicContact CD2-CD2 4.33Å; L636-L639 PolarHBondContact O-N 3.06Å; L639-L641 VanDerWaalsContact C-N 3.28Å; L639-L641 PolarHBondContact O-N 2.87Å; L639-L642 PolarHBondContact O-N 3.37Å; L639-L642 VanDerWaalsContact O-N 3.16Å; L639-L643 HydrophobicContact CD1-CD1 3.81Å; L639-L643 HydrophobicContact CD1-CD2 4.38Å; L639-L643 HydrophobicContact CD1-CG 3.89Å; L639-L643 HydrophobicContact CD2-CD1 4.3Å; L639-L643 HydrophobicContact CG-CD1 3.75Å; L639-L643 HydrophobicContact CG-CG 4.18Å; L639-L643 WeakPolarHBondContact O-CG 3.12Å; L639-L643 PolarHBondContact O-N 3.37Å |
| 640 | K | 84.6 | Confident | 67.4 | Low | 78 Ų | 78 | 72.3 Ų | 72.3 | 34% | 0.339 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.8 | -43.4 | 175.8 | -177.2 | 168.2 | -177.5 | 162.1 | 0 | 111.2 | K356 L357 L636 D637 L642 L643 C644 | K356-K640 PolarHBondContact O-NZ 2.86Å; L357-K640 HydrophobicContact CD2-CB 3.59Å; L357-K640 HydrophobicContact CD2-CD 4.07Å; L357-K640 HydrophobicContact CD2-CG 3.61Å; L636-K640 WeakPolarHBondContact O-CB 3.45Å; L636-K640 PolarHBondContact O-N 2.75Å; D637-K640 PolarHBondContact O-N 2.74Å; K640-L642 VanDerWaalsContact C-N 3.31Å; K640-L642 PolarHBondContact O-N 3.3Å; K640-L643 PolarHBondContact O-N 2.99Å; K640-C644 VanDerWaalsContact O-CB 3.23Å; K640-C644 WeakPolarHBondContact O-CB 3.4Å; K640-C644 PolarHBondContact O-N 3.21Å; K640-C644 PolarHBondContact O-SG 2.92Å; K640-C644 VanDerWaalsContact O-SG 3.33Å |
| 641 | L | 84.8 | Confident | 66.6 | Low | 98 Ų | 98 | 75.6 Ų | 75.6 | 51% | 0.513 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.8 | -34.4 | 178.8 | -162.1 | 155.6 | 0 | 0 | 0 | 112.2 | L315 D637 S638 L639 | L315-L641 HydrophobicContact CD1-CD2 3.27Å; L315-L641 HydrophobicContact CD2-CD2 3.37Å; L315-L641 HydrophobicContact CG-CD2 3.93Å; D637-L641 WeakPolarHBondContact O-CB 3.3Å; D637-L641 PolarHBondContact O-N 3.5Å; S638-L641 PolarHBondContact O-N 3.41Å; L639-L641 VanDerWaalsContact C-N 3.28Å; L639-L641 PolarHBondContact O-N 2.87Å |
| 642 | L | 85.7 | Confident | 66.2 | Low | 4 Ų | 4 | 72.6 Ų | 72.6 | 2% | 0.021 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -73.7 | -41.9 | 174.2 | -69.7 | 169.2 | 0 | 0 | 0 | 113.3 | I311 L315 R318 C529 P596 F598 S638 L639 K640 | I311-L642 HydrophobicContact CD1-CD1 4.37Å; I311-L642 HydrophobicContact CG1-CD1 4.08Å; I311-L642 HydrophobicContact CG2-CD2 4.18Å; I311-L642 HydrophobicContact CG2-CG 4.44Å; L315-L642 HydrophobicContact CD2-CD2 4.14Å; L315-L642 HydrophobicContact CG-CD2 4.3Å; R318-L642 PolarHBondContact NH1-O 2.95Å; C529-L642 HydrophobicContact CB-CD1 4.14Å; P596-L642 HydrophobicContact CB-CD1 3.72Å; P596-L642 HydrophobicContact CG-CD1 3.96Å; P596-L642 HydrophobicContact CG-CD2 4.16Å; F598-L642 HydrophobicContact CE2-CD1 3.5Å; F598-L642 VanDerWaalsContact CE2-CD1 3.5Å; F598-L642 HydrophobicContact CZ-CD1 3.63Å; S638-L642 WeakPolarHBondContact O-CG 3.23Å; S638-L642 PolarHBondContact O-N 3.46Å; S638-L642 VanDerWaalsContact O-N 3.16Å; L639-L642 PolarHBondContact O-N 3.37Å; L639-L642 VanDerWaalsContact O-N 3.16Å; K640-L642 VanDerWaalsContact C-N 3.31Å; K640-L642 PolarHBondContact O-N 3.3Å |
| 643 | L | 83.9 | Confident | 64.7 | Low | 13 Ų | 13 | 71.2 Ų | 71.2 | 7% | 0.068 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -80 | -37.8 | -174 | -65.3 | -179.4 | 0 | 0 | 0 | 112.3 | N327 L357 F365 L639 K640 D645 | N327-L643 HydrophobicContact CB-CD2 4.34Å; L357-L643 HydrophobicContact CD1-CD1 3.86Å; F365-L643 HydrophobicContact CE1-CD2 4.29Å; F365-L643 HydrophobicContact CE2-CD1 3.66Å; F365-L643 HydrophobicContact CE2-CD2 4.41Å; F365-L643 HydrophobicContact CZ-CD1 3.64Å; F365-L643 HydrophobicContact CZ-CD2 4.07Å; F365-L643 HydrophobicContact CZ-CG 4.5Å; L639-L643 HydrophobicContact CD1-CD1 3.81Å; L639-L643 HydrophobicContact CD1-CD2 4.38Å; L639-L643 HydrophobicContact CD1-CG 3.89Å; L639-L643 HydrophobicContact CD2-CD1 4.3Å; L639-L643 HydrophobicContact CG-CD1 3.75Å; L639-L643 HydrophobicContact CG-CG 4.18Å; L639-L643 WeakPolarHBondContact O-CG 3.12Å; L639-L643 PolarHBondContact O-N 3.37Å; K640-L643 PolarHBondContact O-N 2.99Å; L643-D645 PolarHBondContact O-N 2.69Å |
| 644 | C | 73.5 | Confident | 63.3 | Low | 41 Ų | 41 | 73.8 Ų | 73.8 | 28% | 0.277 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -71.3 | 127.7 | 176.5 | -66.4 | 0 | 0 | 0 | 0 | 110.5 | K640 P646 | K640-C644 VanDerWaalsContact O-CB 3.23Å; K640-C644 WeakPolarHBondContact O-CB 3.4Å; K640-C644 PolarHBondContact O-N 3.21Å; K640-C644 PolarHBondContact O-SG 2.92Å; K640-C644 VanDerWaalsContact O-SG 3.33Å; C644-P646 WeakPolarHBondContact O-CD 3.39Å |
| 645 | D | 60.7 | Low | 61.7 | Low | 69 Ų | 69 | 71 Ų | 71 | 37% | 0.369 | 37% | 0.372 | S | S | . | . | trans | -73.7 | 124 | 172.8 | -149.5 | 7.6 | 0 | 0 | 0 | 109.3 | R318 L643 C647 K648 | R318-D645 IonicContact CZ-OD1 3.18Å; R318-D645 IonicContact NE-OD1 3.13Å; R318-D645 VanDerWaalsContact NH2-CG 3.29Å; R318-D645 IonicContact NH2-OD1 2.7Å; R318-D645 PolarHBondContact NH2-OD1 3.3Å; L643-D645 PolarHBondContact O-N 2.69Å; D645-C647 PolarHBondContact O-N 3.29Å; D645-K648 HydrophobicContact CB-CG 4.46Å; D645-K648 PolarHBondContact O-N 3.22Å | ||
| 646 | P | 49.4 | Very low | 59.9 | Low | 75 Ų | 75 | 74.2 Ų | 74.2 | 49% | 0.487 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -56.1 | -28.7 | -179.8 | -24.5 | 32.2 | 0 | 0 | 0 | 113 | C644 Q649 M650 | C644-P646 WeakPolarHBondContact O-CD 3.39Å; P646-Q649 PolarHBondContact O-N 2.95Å; P646-M650 PolarHBondContact O-N 2.87Å |
| 647 | C | 42.9 | Very low | 57.8 | Low | 81 Ų | 81 | 79 Ų | 79 | 55% | 0.547 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.6 | -35 | 178.5 | -71.8 | 0 | 0 | 0 | 0 | 113.2 | D645 M650 E651 | D645-C647 PolarHBondContact O-N 3.29Å; C647-M650 PolarHBondContact O-N 3.42Å; C647-E651 PolarHBondContact O-N 3.19Å |
| 648 | K | 44.9 | Very low | 55.6 | Low | 142 Ų | 142 | 79.6 Ų | 79.6 | 62% | 0.617 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -67.8 | -35.9 | 177.3 | -76.8 | -172 | 174.5 | -175.4 | 0 | 112 | D645 M650 E651 D652 | D645-K648 HydrophobicContact CB-CG 4.46Å; D645-K648 PolarHBondContact O-N 3.22Å; K648-M650 VanDerWaalsContact C-N 3.32Å; K648-M650 PolarHBondContact O-N 3.37Å; K648-E651 PolarHBondContact O-N 2.99Å; K648-D652 PolarHBondContact O-N 2.86Å |
| 649 | Q | 38.9 | Very low | 53.6 | Low | 124 Ų | 124 | 80.3 Ų | 80.3 | 58% | 0.579 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -68.6 | -29.4 | 175.7 | -75.4 | -166.5 | -11.2 | 0 | 0 | 113.2 | P646 G653 | P646-Q649 PolarHBondContact O-N 2.95Å; Q649-G653 WeakPolarHBondContact O-CA 3.38Å; Q649-G653 PolarHBondContact O-N 2.89Å |
| 650 | M | 35.6 | Very low | 51.2 | Low | 135 Ų | 135 | 89.5 Ų | 89.5 | 67% | 0.665 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -68.8 | -42.2 | 171.6 | -75.3 | -166.6 | 171 | 0 | 0 | 111.1 | P646 C647 K648 G653 Y654 | P646-M650 PolarHBondContact O-N 2.87Å; C647-M650 PolarHBondContact O-N 3.42Å; K648-M650 VanDerWaalsContact C-N 3.32Å; K648-M650 PolarHBondContact O-N 3.37Å; M650-G653 PolarHBondContact O-N 3.39Å; M650-Y654 WeakPolarHBondContact O-CB 3.43Å; M650-Y654 WeakPolarHBondContact O-CD2 3.38Å; M650-Y654 PolarHBondContact O-N 2.64Å |
| 651 | E | 39.3 | Very low | 48.8 | Very low | 146 Ų | 146 | 89.3 Ų | 89.3 | 68% | 0.682 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.5 | -43.1 | 177.4 | -71.5 | -178.8 | 166.5 | 0 | 0 | 112.7 | C647 K648 Y654 S655 | C647-E651 PolarHBondContact O-N 3.19Å; K648-E651 PolarHBondContact O-N 2.99Å; E651-Y654 PolarHBondContact O-N 2.69Å; E651-S655 WeakPolarHBondContact O-CB 3.28Å; E651-S655 PolarHBondContact O-N 3.44Å |
| 652 | D | 40.8 | Very low | 46.7 | Very low | 103 Ų | 103 | 91.8 Ų | 91.8 | 55% | 0.551 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -72.5 | -33.1 | 176.4 | -71.7 | -28.2 | 0 | 0 | 0 | 112.5 | K648 S655 T656 | K648-D652 PolarHBondContact O-N 2.86Å; D652-S655 PolarHBondContact O-N 3.02Å; D652-S655 PolarHBondContact O-OG 3.37Å; D652-T656 WeakPolarHBondContact O-CB 3.38Å; D652-T656 WeakPolarHBondContact O-CG2 3.39Å; D652-T656 PolarHBondContact O-N 2.92Å; D652-T656 PolarHBondContact O-OG1 2.88Å |
| 653 | G | 35.8 | Very low | 44.7 | Very low | 23 Ų | 23 | 97.3 Ų | 97.3 | 24% | 0.237 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q649 M650 T656 L657 | Q649-G653 WeakPolarHBondContact O-CA 3.38Å; Q649-G653 PolarHBondContact O-N 2.89Å; M650-G653 PolarHBondContact O-N 3.39Å; G653-T656 PolarHBondContact O-OG1 3.04Å; G653-L657 WeakPolarHBondContact O-CB 3.45Å; G653-L657 WeakPolarHBondContact O-CD1 3.42Å; G653-L657 WeakPolarHBondContact O-CG 3.36Å; G653-L657 PolarHBondContact O-N 3.08Å |
| 654 | Y | 39.3 | Very low | 42.5 | Very low | 159 Ų | 159 | 103.5 Ų | 103.5 | 62% | 0.624 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70.4 | -33.1 | 175.1 | -90.7 | -78.9 | 0 | 0 | 0 | 112.4 | M650 E651 N658 | M650-Y654 WeakPolarHBondContact O-CB 3.43Å; M650-Y654 WeakPolarHBondContact O-CD2 3.38Å; M650-Y654 PolarHBondContact O-N 2.64Å; E651-Y654 PolarHBondContact O-N 2.69Å; Y654-N658 WeakPolarHBondContact O-CB 3.47Å; Y654-N658 VanDerWaalsContact O-CG 3.28Å; Y654-N658 PolarHBondContact O-N 3.18Å; Y654-N658 PolarHBondContact O-ND2 3.24Å |
| 655 | S | 43.7 | Very low | 40.9 | Very low | 64 Ų | 64 | 105.2 Ų | 105.2 | 45% | 0.448 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.7 | -41 | 175.4 | 80 | 0 | 0 | 0 | 0 | 111.7 | E651 D652 A659 | E651-S655 WeakPolarHBondContact O-CB 3.28Å; E651-S655 PolarHBondContact O-N 3.44Å; D652-S655 PolarHBondContact O-N 3.02Å; D652-S655 PolarHBondContact O-OG 3.37Å; S655-A659 WeakPolarHBondContact O-CB 3.45Å; S655-A659 PolarHBondContact O-N 3.19Å |
| 656 | T | 41.4 | Very low | 39.9 | Very low | 81 Ų | 81 | 105.3 Ų | 105.3 | 50% | 0.497 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -76.2 | -35.4 | 177.6 | 50.5 | 0 | 0 | 0 | 0 | 113.3 | D652 G653 A659 R660 | D652-T656 WeakPolarHBondContact O-CB 3.38Å; D652-T656 WeakPolarHBondContact O-CG2 3.39Å; D652-T656 PolarHBondContact O-N 2.92Å; D652-T656 PolarHBondContact O-OG1 2.88Å; G653-T656 PolarHBondContact O-OG1 3.04Å; T656-A659 PolarHBondContact O-N 3.35Å; T656-R660 WeakPolarHBondContact O-CB 3.24Å; T656-R660 PolarHBondContact O-N 3.16Å |
| 657 | L | 34.4 | Very low | 39.5 | Very low | 105 Ų | 105 | 104.9 Ų | 104.9 | 55% | 0.55 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.3 | -42.4 | 170.2 | -82.3 | 157.1 | 0 | 0 | 0 | 111.2 | G653 A659 R660 C661 | G653-L657 WeakPolarHBondContact O-CB 3.45Å; G653-L657 WeakPolarHBondContact O-CD1 3.42Å; G653-L657 WeakPolarHBondContact O-CG 3.36Å; G653-L657 PolarHBondContact O-N 3.08Å; L657-A659 VanDerWaalsContact C-N 3.33Å; L657-A659 PolarHBondContact O-N 2.66Å; L657-R660 PolarHBondContact O-N 3.09Å; L657-C661 WeakPolarHBondContact O-CB 3.33Å; L657-C661 PolarHBondContact O-N 3.42Å; L657-C661 PolarHBondContact O-SG 3.25Å |
| 658 | N | 35.9 | Very low | 39 | Very low | 94 Ų | 94 | 110.1 Ų | 110.1 | 50% | 0.503 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.7 | -33.7 | 174.3 | -80.8 | -31.9 | 0 | 0 | 0 | 112.5 | Y654 K662 | Y654-N658 WeakPolarHBondContact O-CB 3.47Å; Y654-N658 VanDerWaalsContact O-CG 3.28Å; Y654-N658 PolarHBondContact O-N 3.18Å; Y654-N658 PolarHBondContact O-ND2 3.24Å; N658-K662 WeakPolarHBondContact O-CB 3.21Å; N658-K662 VanDerWaalsContact O-CG 3.3Å; N658-K662 WeakPolarHBondContact O-CG 3.28Å; N658-K662 PolarHBondContact O-N 3.41Å |
| 659 | A | 43.9 | Very low | 38.6 | Very low | 52 Ų | 52 | 111.2 Ų | 111.2 | 43% | 0.43 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.4 | -40.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | S655 T656 L657 N663 | S655-A659 WeakPolarHBondContact O-CB 3.45Å; S655-A659 PolarHBondContact O-N 3.19Å; T656-A659 PolarHBondContact O-N 3.35Å; L657-A659 VanDerWaalsContact C-N 3.33Å; L657-A659 PolarHBondContact O-N 2.66Å; A659-N663 PolarHBondContact O-N 3.32Å; A659-N663 VanDerWaalsContact O-N 3.13Å |
| 660 | R | 35.2 | Very low | 38.6 | Very low | 193 Ų | 193 | 112.8 Ų | 112.8 | 73% | 0.728 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.7 | -40.5 | 175.6 | -79 | -177.3 | 172.6 | -179 | -1.2 | 112.7 | T656 L657 N663 Q664 | T656-R660 WeakPolarHBondContact O-CB 3.24Å; T656-R660 PolarHBondContact O-N 3.16Å; L657-R660 PolarHBondContact O-N 3.09Å; R660-N663 PolarHBondContact O-N 3.05Å; R660-Q664 PolarHBondContact O-N 2.99Å |
| 661 | C | 35.7 | Very low | 38.7 | Very low | 73 Ų | 73 | 111.7 Ų | 111.7 | 49% | 0.493 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.4 | -36.6 | 175.6 | -75.5 | 0 | 0 | 0 | 0 | 112.1 | L657 Q664 S665 | L657-C661 WeakPolarHBondContact O-CB 3.33Å; L657-C661 PolarHBondContact O-N 3.42Å; L657-C661 PolarHBondContact O-SG 3.25Å; C661-Q664 PolarHBondContact O-N 2.79Å; C661-S665 WeakPolarHBondContact O-CB 3.35Å; C661-S665 PolarHBondContact O-N 3.11Å; C661-S665 PolarHBondContact O-OG 3.34Å |
| 662 | K | 40.4 | Very low | 38.7 | Very low | 150 Ų | 150 | 109.8 Ų | 109.8 | 65% | 0.652 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.2 | -43.2 | 173.6 | -80 | -178 | 178.5 | -176.8 | 0 | 112.1 | N658 Q664 S665 S666 | N658-K662 WeakPolarHBondContact O-CB 3.21Å; N658-K662 VanDerWaalsContact O-CG 3.3Å; N658-K662 WeakPolarHBondContact O-CG 3.28Å; N658-K662 PolarHBondContact O-N 3.41Å; K662-Q664 PolarHBondContact O-N 3.02Å; K662-S665 PolarHBondContact O-N 2.99Å; K662-S665 PolarHBondContact O-OG 2.67Å; K662-S666 PolarHBondContact O-N 2.82Å; K662-S666 PolarHBondContact O-OG 3.01Å |
| 663 | N | 44.1 | Very low | 38.6 | Very low | 121 Ų | 121 | 110.2 Ų | 110.2 | 65% | 0.647 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71 | -26.7 | 178.7 | -74.8 | -4.4 | 0 | 0 | 0 | 113.8 | A659 R660 S666 | A659-N663 PolarHBondContact O-N 3.32Å; A659-N663 VanDerWaalsContact O-N 3.13Å; R660-N663 PolarHBondContact O-N 3.05Å; N663-S666 PolarHBondContact O-OG 2.97Å; N663-S666 VanDerWaalsContact O-OG 3.14Å |
| 664 | Q | 36.4 | Very low | 38.7 | Very low | 142 Ų | 142 | 115.4 Ų | 115.4 | 66% | 0.664 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -79.1 | -33 | 173.1 | -76.7 | -172.6 | -18.1 | 0 | 0 | 112.8 | R660 C661 K662 S666 A667 | R660-Q664 PolarHBondContact O-N 2.99Å; C661-Q664 PolarHBondContact O-N 2.79Å; K662-Q664 PolarHBondContact O-N 3.02Å; Q664-S666 VanDerWaalsContact C-N 3.33Å; Q664-S666 PolarHBondContact O-N 2.87Å; Q664-A667 PolarHBondContact O-N 2.93Å |
| 665 | S | 39.4 | Very low | 38.7 | Very low | 77 Ų | 77 | 112.6 Ų | 112.6 | 54% | 0.538 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69.8 | -28 | 177.1 | 66.6 | 0 | 0 | 0 | 0 | 113.6 | C661 K662 | C661-S665 WeakPolarHBondContact O-CB 3.35Å; C661-S665 PolarHBondContact O-N 3.11Å; C661-S665 PolarHBondContact O-OG 3.34Å; K662-S665 PolarHBondContact O-N 2.99Å; K662-S665 PolarHBondContact O-OG 2.67Å |
| 666 | S | 41.4 | Very low | 38.4 | Very low | 72 Ų | 72 | 115.9 Ų | 115.9 | 50% | 0.503 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -79.2 | -21.8 | 176.2 | 55.9 | 0 | 0 | 0 | 0 | 113.7 | K662 N663 Q664 | K662-S666 PolarHBondContact O-N 2.82Å; K662-S666 PolarHBondContact O-OG 3.01Å; N663-S666 PolarHBondContact O-OG 2.97Å; N663-S666 VanDerWaalsContact O-OG 3.14Å; Q664-S666 VanDerWaalsContact C-N 3.33Å; Q664-S666 PolarHBondContact O-N 2.87Å |
| 667 | A | 39.9 | Very low | 38.2 | Very low | 66 Ų | 66 | 118.4 Ų | 118.4 | 55% | 0.545 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -82.9 | -13.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q664 | Q664-A667 PolarHBondContact O-N 2.93Å |
| 668 | F | 33.8 | Very low | 38.4 | Very low | 190 Ų | 190 | 119.4 Ų | 119.4 | 83% | 0.833 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -1.6 | 178.5 | -97.7 | -82 | 0 | 0 | 0 | 114.2 | ||
| 669 | L | 35.7 | Very low | 38.7 | Very low | 166 Ų | 166 | 121.5 Ų | 121.5 | 87% | 0.869 | 67% | 0.666 | S | S | * | * | trans | -122.7 | 20 | -179 | -81.5 | 168.1 | 0 | 0 | 0 | 114.2 | ||||
| 670 | S | 38.2 | Very low | 38.2 | Very low | 156 Ų | 156 | 127.8 Ų | 127.8 | 100% | 1.091 | 69% | 0.688 | S | S | * | * | trans | -127.3 | 0 | 163.5 | 66.1 | 0 | 0 | 0 | 0 | 109 |
Retrieved 670 of 670 residues in 562.1 ms
(Link to these results)