| 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 | 40.4 | Very low | 76.8 | Confident | 221 Ų | 221 | 83.9 Ų | 83.9 | 100% | 1.089 | 41% | 0.41 | S | S | * | . | 0 | 35.1 | 0 | -164.1 | 165.6 | 171.6 | 0 | 0 | 110.3 | |||||
| 2 | E | 48.3 | Very low | 78 | Confident | 150 Ų | 150 | 85.5 Ų | 85.5 | 70% | 0.701 | 42% | 0.416 | S | S | * | . | trans | -111.6 | 0.6 | -167.1 | -64.1 | 101.3 | 145.5 | 0 | 0 | 114.1 | H4 D5 N6 | E2-H4 PolarHBondContact O-N 3.06Å; E2-D5 PolarHBondContact O-N 3.41Å; E2-N6 PolarHBondContact O-ND2 2.95Å | ||
| 3 | D | 58.8 | Low | 79 | Confident | 130 Ų | 130 | 80.1 Ų | 80.1 | 70% | 0.695 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 0.4 | -170.1 | -49.9 | -79.4 | 0 | 0 | 0 | 115.3 | ||
| 4 | H | 67.9 | Low | 79.9 | Confident | 125 Ų | 125 | 74.4 Ų | 74.4 | 58% | 0.579 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.8 | 7.5 | -174.1 | -63.4 | -9 | 0 | 0 | 0 | 114 | E2 Y9 | E2-H4 PolarHBondContact O-N 3.06Å; H4-Y9 HydrophobicContact CB-CD1 4.49Å; H4-Y9 HydrophobicContact CB-CD2 4.1Å; H4-Y9 HydrophobicContact CB-CE1 4.38Å; H4-Y9 HydrophobicContact CB-CE2 3.95Å; H4-Y9 HydrophobicContact CB-CG 4.36Å; H4-Y9 AromaticContact CG-CD2 4Å; H4-Y9 AromaticContact CG-CE2 3.65Å; H4-Y9 AromaticContact ND1-CD2 3.5Å; H4-Y9 AromaticContact ND1-CE2 3.38Å; H4-Y9 WeakPolarHBondContact ND1-CE2 3.29Å; H4-Y9 VanDerWaalsContact O-CD1 3.29Å; H4-Y9 WeakPolarHBondContact O-CD1 3.23Å |
| 5 | D | 80.3 | Confident | 80.7 | Confident | 69 Ų | 69 | 72.9 Ų | 72.9 | 37% | 0.369 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -127.7 | 56.7 | -177.2 | -150 | 26 | 0 | 0 | 0 | 111.9 | E2 Y32 R38 | E2-D5 PolarHBondContact O-N 3.41Å; D5-Y32 WeakPolarHBondContact OD1-CD2 3.36Å; D5-R38 IonicContact OD1-CZ 3.23Å; D5-R38 VanDerWaalsContact OD1-CZ 3.23Å; D5-R38 IonicContact OD1-NE 3.07Å; D5-R38 PolarHBondContact OD1-NE 3.1Å; D5-R38 IonicContact OD1-NH2 2.67Å; D5-R38 PolarHBondContact OD1-NH2 3.28Å; D5-R38 IonicContact OD2-CZ 3.65Å; D5-R38 IonicContact OD2-NE 2.89Å; D5-R38 PolarHBondContact OD2-NE 3.12Å; D5-R38 IonicContact OD2-NH2 3.53Å |
| 6 | N | 88.8 | Confident | 81.1 | Confident | 44 Ų | 44 | 71.6 Ų | 71.6 | 24% | 0.235 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -155.7 | 164.6 | -179.6 | 59.2 | 68.1 | 0 | 0 | 0 | 111.3 | E2 D8 Y9 F10 Y32 | E2-N6 PolarHBondContact O-ND2 2.95Å; N6-D8 PolarHBondContact O-N 3.43Å; N6-D8 PolarHBondContact OD1-N 3.28Å; N6-Y9 WeakPolarHBondContact O-CB 3.38Å; N6-Y9 PolarHBondContact O-N 3.41Å; N6-Y9 PolarHBondContact OD1-N 2.87Å; N6-F10 WeakPolarHBondContact O-CD2 3.4Å; N6-F10 PolarHBondContact O-N 3.41Å; N6-F10 VanDerWaalsContact O-N 3.13Å; N6-Y32 WeakPolarHBondContact CA-OH 3.42Å |
| 7 | M | 91.8 | Very high | 81.5 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -73.6 | -19.7 | -175.7 | -77.6 | -79.7 | -66 | 0 | 0 | 114.8 | Y11 L29 Y32 L33 D41 V42 L49 F78 | M7-Y11 WeakPolarHBondContact O-CB 3.15Å; M7-Y11 PolarHBondContact O-N 2.89Å; M7-L29 HydrophobicContact SD-CD1 4.37Å; M7-Y32 HydrophobicContact CG-CE1 3.72Å; M7-Y32 HydrophobicContact SD-CD1 4.46Å; M7-Y32 HydrophobicContact SD-CE1 4.08Å; M7-L33 HydrophobicContact SD-CD2 4.38Å; M7-D41 VanDerWaalsContact CB-OD2 3.31Å; M7-D41 WeakPolarHBondContact CB-OD2 3.46Å; M7-D41 WeakPolarHBondContact CG-OD1 3.04Å; M7-D41 PolarHBondContact N-OD2 3.08Å; M7-V42 HydrophobicContact CE-CG1 4.38Å; M7-V42 HydrophobicContact CE-CG2 4.42Å; M7-V42 HydrophobicContact CG-CB 4.41Å; M7-V42 HydrophobicContact CG-CG2 3.74Å; M7-V42 HydrophobicContact SD-CG2 3.95Å; M7-L49 HydrophobicContact CE-CD1 4.46Å; M7-F78 HydrophobicContact CE-CE1 3.79Å; M7-F78 HydrophobicContact CE-CZ 3.83Å; M7-F78 HydrophobicContact SD-CZ 4.38Å |
| 8 | D | 90.8 | Very high | 82.1 | Confident | 87 Ų | 87 | 78.4 Ų | 78.4 | 47% | 0.465 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.2 | -45.8 | 169.2 | -76.3 | -43 | 0 | 0 | 0 | 110.8 | N6 Q12 R48 | N6-D8 PolarHBondContact O-N 3.43Å; N6-D8 PolarHBondContact OD1-N 3.28Å; D8-Q12 VanDerWaalsContact O-CG 3.28Å; D8-Q12 WeakPolarHBondContact O-CG 3.15Å; D8-Q12 PolarHBondContact O-N 3.07Å; D8-Q12 VanDerWaalsContact O-N 3.1Å; D8-R48 WeakPolarHBondContact OD1-CD 3.39Å; D8-R48 IonicContact OD1-CZ 3.91Å; D8-R48 IonicContact OD1-NE 3.84Å; D8-R48 IonicContact OD1-NH1 3.08Å; D8-R48 PolarHBondContact OD1-NH1 2.84Å; D8-R48 IonicContact OD2-NH1 2.73Å; D8-R48 PolarHBondContact OD2-NH1 3.24Å |
| 9 | Y | 92 | Very high | 82.6 | Confident | 51 Ų | 51 | 77.2 Ų | 77.2 | 20% | 0.2 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.3 | -51 | 173.7 | 173.3 | -94.9 | 0 | 0 | 0 | 111 | H4 N6 Q12 Q13 V25 | H4-Y9 HydrophobicContact CB-CD1 4.49Å; H4-Y9 HydrophobicContact CB-CD2 4.1Å; H4-Y9 HydrophobicContact CB-CE1 4.38Å; H4-Y9 HydrophobicContact CB-CE2 3.95Å; H4-Y9 HydrophobicContact CB-CG 4.36Å; H4-Y9 AromaticContact CG-CD2 4Å; H4-Y9 AromaticContact CG-CE2 3.65Å; H4-Y9 AromaticContact ND1-CD2 3.5Å; H4-Y9 AromaticContact ND1-CE2 3.38Å; H4-Y9 WeakPolarHBondContact ND1-CE2 3.29Å; H4-Y9 VanDerWaalsContact O-CD1 3.29Å; H4-Y9 WeakPolarHBondContact O-CD1 3.23Å; N6-Y9 WeakPolarHBondContact O-CB 3.38Å; N6-Y9 PolarHBondContact O-N 3.41Å; N6-Y9 PolarHBondContact OD1-N 2.87Å; Y9-Q12 WeakPolarHBondContact O-CB 3.29Å; Y9-Q12 PolarHBondContact O-N 2.79Å; Y9-Q13 HydrophobicContact CD1-CG 4.12Å; Y9-Q13 HydrophobicContact CE1-CG 3.68Å; Y9-Q13 WeakPolarHBondContact O-CG 3.45Å; Y9-Q13 PolarHBondContact O-N 2.86Å; Y9-Q13 VanDerWaalsContact O-N 3.12Å; Y9-Q13 PolarHBondContact O-NE2 3.36Å; Y9-Q13 VanDerWaalsContact O-NE2 3.16Å; Y9-V25 HydrophobicContact CE1-CG1 4.22Å |
| 10 | F | 92.3 | Very high | 83 | Confident | 4 Ų | 4 | 78.2 Ų | 78.2 | 2% | 0.018 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.8 | -38.5 | -177.6 | -75.6 | -64 | 0 | 0 | 0 | 113.4 | N6 Q12 Q13 V14 V25 D28 L29 Y32 | N6-F10 WeakPolarHBondContact O-CD2 3.4Å; N6-F10 PolarHBondContact O-N 3.41Å; N6-F10 VanDerWaalsContact O-N 3.13Å; F10-Q12 VanDerWaalsContact C-N 3.29Å; F10-Q12 PolarHBondContact O-N 2.63Å; F10-Q13 CarbonylContact O-C 3.03Å; F10-Q13 WeakPolarHBondContact O-CA 3.49Å; F10-Q13 WeakPolarHBondContact O-CB 3.31Å; F10-Q13 PolarHBondContact O-N 3.01Å; F10-V14 WeakPolarHBondContact O-CG2 3.2Å; F10-V14 PolarHBondContact O-N 2.67Å; F10-V25 HydrophobicContact CD1-CG1 4.31Å; F10-V25 HydrophobicContact CE1-CG1 4.04Å; F10-D28 HydrophobicContact CE1-CB 3.98Å; F10-D28 HydrophobicContact CZ-CB 4.32Å; F10-L29 HydrophobicContact CB-CD1 3.82Å; F10-L29 HydrophobicContact CD1-CB 3.73Å; F10-L29 HydrophobicContact CD1-CD1 4.04Å; F10-L29 HydrophobicContact CD1-CG 4.35Å; F10-L29 HydrophobicContact CD2-CD1 4.22Å; F10-L29 HydrophobicContact CE1-CB 3.98Å; F10-L29 HydrophobicContact CG-CB 4.36Å; F10-L29 HydrophobicContact CG-CD1 3.77Å; F10-Y32 HydrophobicContact CD2-CD1 4.03Å; F10-Y32 HydrophobicContact CD2-CD2 4.3Å; F10-Y32 HydrophobicContact CD2-CE1 4.38Å; F10-Y32 AromaticContact CD2-CG 3.99Å; F10-Y32 HydrophobicContact CD2-CG 3.99Å; F10-Y32 HydrophobicContact CE2-CD1 4.01Å; F10-Y32 AromaticContact CE2-CD2 3.58Å; F10-Y32 HydrophobicContact CE2-CD2 3.58Å; F10-Y32 HydrophobicContact CE2-CE2 4.16Å; F10-Y32 AromaticContact CE2-CG 3.48Å; F10-Y32 HydrophobicContact CE2-CG 3.48Å; F10-Y32 VanDerWaalsContact CE2-CG 3.48Å; F10-Y32 HydrophobicContact CZ-CD2 4.44Å; F10-Y32 HydrophobicContact CZ-CG 4.26Å |
| 11 | Y | 93.1 | Very high | 83.3 | Confident | 42 Ų | 42 | 79.2 Ų | 79.2 | 17% | 0.165 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -57.4 | -42.7 | 171.4 | 171.5 | -118.8 | 0 | 0 | 0 | 111.6 | M7 Q13 V14 L15 R48 K51 T52 | M7-Y11 WeakPolarHBondContact O-CB 3.15Å; M7-Y11 PolarHBondContact O-N 2.89Å; Y11-Q13 PolarHBondContact O-N 3.28Å; Y11-V14 PolarHBondContact O-N 2.64Å; Y11-L15 HydrophobicContact CD1-CD1 4.2Å; Y11-L15 HydrophobicContact CD2-CD1 4.43Å; Y11-L15 HydrophobicContact CD2-CG 4.44Å; Y11-L15 HydrophobicContact CE1-CD1 3.75Å; Y11-L15 HydrophobicContact CE2-CD1 4.01Å; Y11-L15 HydrophobicContact CE2-CD2 4.34Å; Y11-L15 HydrophobicContact CE2-CG 4.08Å; Y11-L15 WeakPolarHBondContact O-CG 3.46Å; Y11-L15 PolarHBondContact O-N 3.41Å; Y11-L15 VanDerWaalsContact O-N 3.07Å; Y11-R48 HydrophobicContact CD1-CG 4.27Å; Y11-R48 HydrophobicContact CG-CG 4.12Å; Y11-K51 HydrophobicContact CE2-CB 3.78Å; Y11-T52 VanDerWaalsContact CD2-OG1 3.25Å; Y11-T52 WeakPolarHBondContact CD2-OG1 3.39Å |
| 12 | Q | 92.1 | Very high | 85.7 | Confident | 103 Ų | 103 | 69.9 Ų | 69.9 | 48% | 0.481 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.4 | -20.2 | 173.5 | -63.9 | -65.6 | -20.2 | 0 | 0 | 113.6 | D8 Y9 F10 Q16 | D8-Q12 VanDerWaalsContact O-CG 3.28Å; D8-Q12 WeakPolarHBondContact O-CG 3.15Å; D8-Q12 PolarHBondContact O-N 3.07Å; D8-Q12 VanDerWaalsContact O-N 3.1Å; Y9-Q12 WeakPolarHBondContact O-CB 3.29Å; Y9-Q12 PolarHBondContact O-N 2.79Å; F10-Q12 VanDerWaalsContact C-N 3.29Å; F10-Q12 PolarHBondContact O-N 2.63Å; Q12-Q16 WeakPolarHBondContact O-CG 3.38Å; Q12-Q16 PolarHBondContact O-NE2 2.97Å |
| 13 | Q | 90.1 | Very high | 87.8 | Confident | 15 Ų | 15 | 65.6 Ų | 65.6 | 7% | 0.07 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -82.8 | -38 | 170.2 | -51.4 | -41.2 | -59.1 | 0 | 0 | 112.4 | Y9 F10 Y11 L15 Q16 V25 | Y9-Q13 HydrophobicContact CD1-CG 4.12Å; Y9-Q13 HydrophobicContact CE1-CG 3.68Å; Y9-Q13 WeakPolarHBondContact O-CG 3.45Å; Y9-Q13 PolarHBondContact O-N 2.86Å; Y9-Q13 VanDerWaalsContact O-N 3.12Å; Y9-Q13 PolarHBondContact O-NE2 3.36Å; Y9-Q13 VanDerWaalsContact O-NE2 3.16Å; F10-Q13 CarbonylContact O-C 3.03Å; F10-Q13 WeakPolarHBondContact O-CA 3.49Å; F10-Q13 WeakPolarHBondContact O-CB 3.31Å; F10-Q13 PolarHBondContact O-N 3.01Å; Y11-Q13 PolarHBondContact O-N 3.28Å; Q13-L15 VanDerWaalsContact C-N 3.29Å; Q13-L15 PolarHBondContact O-N 3.13Å; Q13-Q16 VanDerWaalsContact O-CB 3.27Å; Q13-Q16 WeakPolarHBondContact O-CB 3.16Å; Q13-Q16 VanDerWaalsContact O-CG 3.24Å; Q13-Q16 WeakPolarHBondContact O-CG 3.4Å; Q13-Q16 PolarHBondContact O-N 3.28Å; Q13-Q16 VanDerWaalsContact O-N 3.11Å; Q13-V25 HydrophobicContact CB-CB 4.36Å; Q13-V25 HydrophobicContact CB-CG1 4.14Å; Q13-V25 HydrophobicContact CG-CB 4.35Å; Q13-V25 HydrophobicContact CG-CG1 3.76Å |
| 14 | V | 91.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.2 | -39.8 | 175.3 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | F10 Y11 Q16 L29 T52 E55 L56 W59 | F10-V14 WeakPolarHBondContact O-CG2 3.2Å; F10-V14 PolarHBondContact O-N 2.67Å; Y11-V14 PolarHBondContact O-N 2.64Å; V14-Q16 PolarHBondContact O-N 3.04Å; V14-L29 HydrophobicContact CG2-CD2 3.81Å; V14-T52 HydrophobicContact CG1-CG2 4.46Å; V14-T52 HydrophobicContact CG2-CG2 4.2Å; V14-E55 HydrophobicContact CG1-CB 3.71Å; V14-L56 HydrophobicContact CG1-CD2 4.31Å; V14-L56 HydrophobicContact CG1-CG 4.08Å; V14-L56 HydrophobicContact CG2-CD2 4.43Å; V14-W59 PolarHBondContact O-NE1 3.12Å |
| 15 | L | 91.8 | Very high | 90.2 | Very high | 51 Ų | 51 | 60.8 Ų | 60.8 | 27% | 0.267 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -15.7 | 175.2 | -73.3 | 170.5 | 0 | 0 | 0 | 115 | Y11 Q13 E55 | Y11-L15 HydrophobicContact CD1-CD1 4.2Å; Y11-L15 HydrophobicContact CD2-CD1 4.43Å; Y11-L15 HydrophobicContact CD2-CG 4.44Å; Y11-L15 HydrophobicContact CE1-CD1 3.75Å; Y11-L15 HydrophobicContact CE2-CD1 4.01Å; Y11-L15 HydrophobicContact CE2-CD2 4.34Å; Y11-L15 HydrophobicContact CE2-CG 4.08Å; Y11-L15 WeakPolarHBondContact O-CG 3.46Å; Y11-L15 PolarHBondContact O-N 3.41Å; Y11-L15 VanDerWaalsContact O-N 3.07Å; Q13-L15 VanDerWaalsContact C-N 3.29Å; Q13-L15 PolarHBondContact O-N 3.13Å; L15-E55 HydrophobicContact CD2-CG 3.91Å |
| 16 | Q | 87.9 | Confident | 90.7 | Very high | 53 Ų | 53 | 57.5 Ų | 57.5 | 25% | 0.248 | 28% | 0.279 | C | S | . | . | trans | -64.1 | 147.3 | -179.3 | -59.6 | -67.5 | -52.8 | 0 | 0 | 110.5 | Q12 Q13 V14 R21 R22 | Q12-Q16 WeakPolarHBondContact O-CG 3.38Å; Q12-Q16 PolarHBondContact O-NE2 2.97Å; Q13-Q16 VanDerWaalsContact O-CB 3.27Å; Q13-Q16 WeakPolarHBondContact O-CB 3.16Å; Q13-Q16 VanDerWaalsContact O-CG 3.24Å; Q13-Q16 WeakPolarHBondContact O-CG 3.4Å; Q13-Q16 PolarHBondContact O-N 3.28Å; Q13-Q16 VanDerWaalsContact O-N 3.11Å; V14-Q16 PolarHBondContact O-N 3.04Å; Q16-R21 HydrophobicContact CG-CG 4.37Å; Q16-R22 PolarHBondContact O-NE 3.08Å; Q16-R22 PolarHBondContact O-NH2 2.88Å | ||
| 17 | K | 88.3 | Confident | 90.8 | Very high | 180 Ų | 180 | 59.8 Ų | 59.8 | 78% | 0.783 | 29% | 0.288 | S | S | * | . | trans | -105.5 | -9.4 | 177.8 | -65 | -175.4 | -179.7 | 179.5 | 0 | 114.2 | ||||
| 18 | D | 91 | Very high | 90.8 | Very high | 85 Ų | 85 | 63.3 Ų | 63.3 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | trans | -75.1 | 125.4 | 175.6 | 177.3 | -107.5 | 0 | 0 | 0 | 111.9 | T20 R21 R22 | D18-T20 VanDerWaalsContact C-N 3.3Å; D18-T20 PolarHBondContact O-N 2.78Å; D18-T20 WeakPolarHBondContact OD1-CA 3.37Å; D18-T20 WeakPolarHBondContact OD1-CB 3.43Å; D18-T20 PolarHBondContact OD1-N 3.29Å; D18-T20 PolarHBondContact OD1-OG1 2.73Å; D18-R21 HydrophobicContact CB-CB 4.21Å; D18-R21 PolarHBondContact O-N 3.11Å; D18-R21 PolarHBondContact OD1-N 3.15Å; D18-R22 VanDerWaalsContact O-CG 3.32Å; D18-R22 WeakPolarHBondContact O-CG 3.14Å; D18-R22 PolarHBondContact O-N 2.88Å | ||
| 19 | V | 91.4 | Very high | 90.9 | Very high | 55 Ų | 55 | 59.3 Ų | 59.3 | 33% | 0.333 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62 | -37 | -178.4 | 169 | 0 | 0 | 0 | 0 | 112.1 | L23 N64 V67 | V19-L23 HydrophobicContact CG1-CD1 3.96Å; V19-L23 HydrophobicContact CG1-CG 4.49Å; V19-L23 WeakPolarHBondContact O-CB 3.34Å; V19-L23 VanDerWaalsContact O-CG 3.26Å; V19-L23 WeakPolarHBondContact O-CG 3.12Å; V19-L23 PolarHBondContact O-N 3.29Å; V19-N64 VanDerWaalsContact CG1-ND2 3.33Å; V19-N64 WeakPolarHBondContact CG1-ND2 3.48Å; V19-V67 HydrophobicContact CG1-CG2 4.06Å |
| 20 | T | 90.7 | Very high | 91.1 | Very high | 97 Ų | 97 | 57.8 Ų | 57.8 | 60% | 0.595 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -68.6 | -47.7 | -177.1 | -38.2 | 0 | 0 | 0 | 0 | 110.2 | D18 L23 Q24 | D18-T20 VanDerWaalsContact C-N 3.3Å; D18-T20 PolarHBondContact O-N 2.78Å; D18-T20 WeakPolarHBondContact OD1-CA 3.37Å; D18-T20 WeakPolarHBondContact OD1-CB 3.43Å; D18-T20 PolarHBondContact OD1-N 3.29Å; D18-T20 PolarHBondContact OD1-OG1 2.73Å; T20-L23 PolarHBondContact O-N 2.68Å; T20-Q24 WeakPolarHBondContact O-CB 3.48Å; T20-Q24 PolarHBondContact O-N 3.01Å |
| 21 | R | 89.8 | Confident | 91.1 | Very high | 101 Ų | 101 | 61.2 Ų | 61.2 | 38% | 0.381 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 175.7 | -171.9 | 173.7 | -178.4 | 162.3 | 13.3 | 112.2 | Q16 D18 L23 Q24 V25 | Q16-R21 HydrophobicContact CG-CG 4.37Å; D18-R21 HydrophobicContact CB-CB 4.21Å; D18-R21 PolarHBondContact O-N 3.11Å; D18-R21 PolarHBondContact OD1-N 3.15Å; R21-L23 VanDerWaalsContact C-N 3.34Å; R21-L23 PolarHBondContact O-N 2.89Å; R21-Q24 PolarHBondContact O-N 3.36Å; R21-V25 HydrophobicContact CG-CG2 4.39Å; R21-V25 PolarHBondContact O-N 2.87Å |
| 22 | R | 91.4 | Very high | 91.1 | Very high | 25 Ų | 25 | 59.4 Ų | 59.4 | 9% | 0.094 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.6 | -47.2 | 173.4 | -74.4 | -166.7 | 175.2 | -158.9 | -9 | 112 | Q16 D18 Q24 G26 W59 L70 | Q16-R22 PolarHBondContact O-NE 3.08Å; Q16-R22 PolarHBondContact O-NH2 2.88Å; D18-R22 VanDerWaalsContact O-CG 3.32Å; D18-R22 WeakPolarHBondContact O-CG 3.14Å; D18-R22 PolarHBondContact O-N 2.88Å; R22-Q24 VanDerWaalsContact C-N 3.35Å; R22-G26 PolarHBondContact O-N 2.81Å; R22-G26 VanDerWaalsContact O-N 3.09Å; R22-W59 HydrophobicContact CB-CE3 4.47Å; R22-W59 HydrophobicContact CB-CH2 3.51Å; R22-W59 HydrophobicContact CB-CZ2 3.87Å; R22-W59 HydrophobicContact CB-CZ3 3.84Å; R22-W59 HydrophobicContact CG-CH2 3.6Å; R22-W59 HydrophobicContact CG-CZ2 3.38Å; R22-W59 HydrophobicContact CG-CZ3 4.24Å; R22-W59 WeakPolarHBondContact O-CH2 3.24Å; R22-L70 WeakPolarHBondContact O-CD2 3.2Å |
| 23 | L | 91.9 | Very high | 91.1 | Very high | 60 Ų | 60 | 54.6 Ų | 54.6 | 31% | 0.314 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -72.4 | -25.8 | -179.4 | -68.7 | 175.6 | 0 | 0 | 0 | 113.7 | V19 T20 R21 K66 V67 L70 | V19-L23 HydrophobicContact CG1-CD1 3.96Å; V19-L23 HydrophobicContact CG1-CG 4.49Å; V19-L23 WeakPolarHBondContact O-CB 3.34Å; V19-L23 VanDerWaalsContact O-CG 3.26Å; V19-L23 WeakPolarHBondContact O-CG 3.12Å; V19-L23 PolarHBondContact O-N 3.29Å; T20-L23 PolarHBondContact O-N 2.68Å; R21-L23 VanDerWaalsContact C-N 3.34Å; R21-L23 PolarHBondContact O-N 2.89Å; L23-K66 HydrophobicContact CD1-CB 4.14Å; L23-K66 HydrophobicContact CD1-CD 4.27Å; L23-K66 HydrophobicContact CD2-CB 3.68Å; L23-V67 HydrophobicContact CD2-CG2 3.89Å; L23-V67 HydrophobicContact CG-CG2 4.01Å; L23-L70 HydrophobicContact CD2-CD2 3.9Å |
| 24 | Q | 87.8 | Confident | 91.3 | Very high | 140 Ų | 140 | 58.4 Ų | 58.4 | 65% | 0.654 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -74.2 | -56 | 174.7 | -175.9 | 173.2 | -6.2 | 0 | 0 | 111.1 | T20 R21 R22 | T20-Q24 WeakPolarHBondContact O-CB 3.48Å; T20-Q24 PolarHBondContact O-N 3.01Å; R21-Q24 PolarHBondContact O-N 3.36Å; R22-Q24 VanDerWaalsContact C-N 3.35Å |
| 25 | V | 88.9 | Confident | 91.2 | Very high | 13 Ų | 13 | 61.4 Ų | 61.4 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -88.7 | -12.8 | -168.2 | -162.5 | 0 | 0 | 0 | 0 | 113.7 | Y9 F10 Q13 R21 Q27 D28 L29 | Y9-V25 HydrophobicContact CE1-CG1 4.22Å; F10-V25 HydrophobicContact CD1-CG1 4.31Å; F10-V25 HydrophobicContact CE1-CG1 4.04Å; Q13-V25 HydrophobicContact CB-CB 4.36Å; Q13-V25 HydrophobicContact CB-CG1 4.14Å; Q13-V25 HydrophobicContact CG-CB 4.35Å; Q13-V25 HydrophobicContact CG-CG1 3.76Å; R21-V25 HydrophobicContact CG-CG2 4.39Å; R21-V25 PolarHBondContact O-N 2.87Å; V25-Q27 VanDerWaalsContact C-N 3.28Å; V25-Q27 PolarHBondContact O-N 2.8Å; V25-D28 HydrophobicContact CG1-CB 4.16Å; V25-D28 PolarHBondContact O-N 3.38Å; V25-L29 PolarHBondContact O-N 3.24Å; V25-L29 VanDerWaalsContact O-N 3.1Å |
| 26 | G | 91.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67 | -24.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R22 I30 | R22-G26 PolarHBondContact O-N 2.81Å; R22-G26 VanDerWaalsContact O-N 3.09Å; G26-I30 WeakPolarHBondContact O-CG1 3.35Å; G26-I30 PolarHBondContact O-N 3.38Å |
| 27 | Q | 90.4 | Very high | 90.8 | Very high | 91 Ų | 91 | 67.7 Ų | 67.7 | 43% | 0.425 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -73.7 | -42.7 | 170.5 | -174.3 | 64.3 | 56.2 | 0 | 0 | 110.9 | V25 L29 I30 D31 | V25-Q27 VanDerWaalsContact C-N 3.28Å; V25-Q27 PolarHBondContact O-N 2.8Å; Q27-L29 PolarHBondContact O-N 3.19Å; Q27-I30 WeakPolarHBondContact O-CB 3.28Å; Q27-I30 PolarHBondContact O-N 2.98Å; Q27-D31 PolarHBondContact NE2-OD1 2.97Å; Q27-D31 PolarHBondContact O-N 3.34Å |
| 28 | D | 91.7 | Very high | 90.7 | Very high | 74 Ų | 74 | 63.3 Ų | 63.3 | 40% | 0.396 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.2 | -34.1 | 177.2 | -53.7 | -35.3 | 0 | 0 | 0 | 111.3 | F10 V25 Y32 | F10-D28 HydrophobicContact CE1-CB 3.98Å; F10-D28 HydrophobicContact CZ-CB 4.32Å; V25-D28 HydrophobicContact CG1-CB 4.16Å; V25-D28 PolarHBondContact O-N 3.38Å; D28-Y32 WeakPolarHBondContact O-CB 3.21Å; D28-Y32 PolarHBondContact O-N 3.26Å |
| 29 | L | 94.2 | Very high | 90.5 | Very high | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.9 | -39.7 | 172.7 | 176.7 | 54 | 0 | 0 | 0 | 113.2 | M7 F10 V14 V25 Q27 Y32 L33 I74 | M7-L29 HydrophobicContact SD-CD1 4.37Å; F10-L29 HydrophobicContact CB-CD1 3.82Å; F10-L29 HydrophobicContact CD1-CB 3.73Å; F10-L29 HydrophobicContact CD1-CD1 4.04Å; F10-L29 HydrophobicContact CD1-CG 4.35Å; F10-L29 HydrophobicContact CD2-CD1 4.22Å; F10-L29 HydrophobicContact CE1-CB 3.98Å; F10-L29 HydrophobicContact CG-CB 4.36Å; F10-L29 HydrophobicContact CG-CD1 3.77Å; V14-L29 HydrophobicContact CG2-CD2 3.81Å; V25-L29 PolarHBondContact O-N 3.24Å; V25-L29 VanDerWaalsContact O-N 3.1Å; Q27-L29 PolarHBondContact O-N 3.19Å; L29-Y32 PolarHBondContact O-N 3.14Å; L29-L33 HydrophobicContact CD1-CD1 3.72Å; L29-L33 HydrophobicContact CD1-CG 3.87Å; L29-L33 HydrophobicContact CG-CD1 3.93Å; L29-L33 WeakPolarHBondContact O-CB 3.37Å; L29-L33 VanDerWaalsContact O-CG 3.28Å; L29-L33 WeakPolarHBondContact O-CG 3.23Å; L29-L33 PolarHBondContact O-N 3.16Å; L29-I74 HydrophobicContact CD2-CD1 4.3Å; L29-I74 HydrophobicContact CD2-CG1 4.46Å; L29-I74 HydrophobicContact CD2-CG2 3.75Å; L29-I74 HydrophobicContact CG-CG2 4.14Å |
| 30 | I | 94.6 | Very high | 90.2 | Very high | 18 Ų | 18 | 60.2 Ų | 60.2 | 9% | 0.092 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 172.9 | -71.3 | 167 | 0 | 0 | 0 | 109.8 | G26 Q27 Y32 L33 N34 L70 D73 I74 A77 | G26-I30 WeakPolarHBondContact O-CG1 3.35Å; G26-I30 PolarHBondContact O-N 3.38Å; Q27-I30 WeakPolarHBondContact O-CB 3.28Å; Q27-I30 PolarHBondContact O-N 2.98Å; I30-Y32 PolarHBondContact O-N 2.91Å; I30-L33 PolarHBondContact O-N 3.11Å; I30-N34 VanDerWaalsContact CG2-ND2 3.3Å; I30-N34 WeakPolarHBondContact CG2-ND2 3.48Å; I30-N34 WeakPolarHBondContact O-CB 3.34Å; I30-N34 PolarHBondContact O-N 3.15Å; I30-N34 PolarHBondContact O-ND2 3.3Å; I30-N34 VanDerWaalsContact O-ND2 3.14Å; I30-L70 HydrophobicContact CD1-CD1 3.78Å; I30-D73 HydrophobicContact CD1-CB 3.92Å; I30-I74 HydrophobicContact CD1-CG1 3.96Å; I30-I74 HydrophobicContact CG1-CB 4.39Å; I30-I74 HydrophobicContact CG1-CG1 3.72Å; I30-A77 HydrophobicContact CG1-CB 4.46Å |
| 31 | D | 92.5 | Very high | 90.1 | Very high | 77 Ų | 77 | 56.6 Ų | 56.6 | 41% | 0.412 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.2 | -21 | 179.8 | -67.4 | 5.1 | 0 | 0 | 0 | 112.5 | Q27 R38 | Q27-D31 PolarHBondContact NE2-OD1 2.97Å; Q27-D31 PolarHBondContact O-N 3.34Å; D31-R38 PolarHBondContact O-NH1 3.11Å; D31-R38 VanDerWaalsContact O-NH1 3.11Å |
| 32 | Y | 93.5 | Very high | 90 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -78.2 | -49.8 | 169.5 | -179.5 | -94.9 | 0 | 0 | 0 | 111.9 | D5 N6 M7 F10 D28 L29 I30 N34 D35 R38 S39 D41 V42 | D5-Y32 WeakPolarHBondContact OD1-CD2 3.36Å; N6-Y32 WeakPolarHBondContact CA-OH 3.42Å; M7-Y32 HydrophobicContact CG-CE1 3.72Å; M7-Y32 HydrophobicContact SD-CD1 4.46Å; M7-Y32 HydrophobicContact SD-CE1 4.08Å; F10-Y32 HydrophobicContact CD2-CD1 4.03Å; F10-Y32 HydrophobicContact CD2-CD2 4.3Å; F10-Y32 HydrophobicContact CD2-CE1 4.38Å; F10-Y32 AromaticContact CD2-CG 3.99Å; F10-Y32 HydrophobicContact CD2-CG 3.99Å; F10-Y32 HydrophobicContact CE2-CD1 4.01Å; F10-Y32 AromaticContact CE2-CD2 3.58Å; F10-Y32 HydrophobicContact CE2-CD2 3.58Å; F10-Y32 HydrophobicContact CE2-CE2 4.16Å; F10-Y32 AromaticContact CE2-CG 3.48Å; F10-Y32 HydrophobicContact CE2-CG 3.48Å; F10-Y32 VanDerWaalsContact CE2-CG 3.48Å; F10-Y32 HydrophobicContact CZ-CD2 4.44Å; F10-Y32 HydrophobicContact CZ-CG 4.26Å; D28-Y32 WeakPolarHBondContact O-CB 3.21Å; D28-Y32 PolarHBondContact O-N 3.26Å; L29-Y32 PolarHBondContact O-N 3.14Å; I30-Y32 PolarHBondContact O-N 2.91Å; Y32-N34 VanDerWaalsContact C-N 3.3Å; Y32-N34 PolarHBondContact O-N 3.39Å; Y32-D35 PolarHBondContact O-N 3.05Å; Y32-R38 HydrophobicContact CD2-CG 3.92Å; Y32-R38 HydrophobicContact CE2-CG 4.08Å; Y32-R38 WeakPolarHBondContact CE2-O 3.16Å; Y32-R38 PolarHBondContact OH-O 3.2Å; Y32-S39 VanDerWaalsContact CE1-CB 3.44Å; Y32-S39 WeakPolarHBondContact O-CB 3.21Å; Y32-D41 PolarHBondContact OH-OD1 2.94Å; Y32-V42 HydrophobicContact CE1-CG2 4.12Å |
| 33 | L | 93.4 | Very high | 89.5 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.8 | -27.7 | -177.6 | -70.1 | 166.4 | 0 | 0 | 0 | 113.6 | M7 L29 I30 D35 V42 I74 A77 F78 R81 | M7-L33 HydrophobicContact SD-CD2 4.38Å; L29-L33 HydrophobicContact CD1-CD1 3.72Å; L29-L33 HydrophobicContact CD1-CG 3.87Å; L29-L33 HydrophobicContact CG-CD1 3.93Å; L29-L33 WeakPolarHBondContact O-CB 3.37Å; L29-L33 VanDerWaalsContact O-CG 3.28Å; L29-L33 WeakPolarHBondContact O-CG 3.23Å; L29-L33 PolarHBondContact O-N 3.16Å; I30-L33 PolarHBondContact O-N 3.11Å; L33-D35 PolarHBondContact O-N 2.92Å; L33-V42 HydrophobicContact CD2-CG1 4.33Å; L33-V42 HydrophobicContact CD2-CG2 3.85Å; L33-I74 HydrophobicContact CD1-CG2 4.33Å; L33-A77 HydrophobicContact CB-CB 3.86Å; L33-A77 HydrophobicContact CD1-CB 3.96Å; L33-F78 HydrophobicContact CD1-CD1 4.23Å; L33-F78 HydrophobicContact CD1-CD2 3.65Å; L33-F78 HydrophobicContact CD1-CE1 4.08Å; L33-F78 HydrophobicContact CD1-CE2 3.46Å; L33-F78 VanDerWaalsContact CD1-CE2 3.46Å; L33-F78 HydrophobicContact CD1-CG 4.02Å; L33-F78 HydrophobicContact CD1-CZ 3.69Å; L33-F78 HydrophobicContact CD2-CD1 3.91Å; L33-F78 HydrophobicContact CD2-CE1 3.57Å; L33-F78 HydrophobicContact CD2-CE2 4.46Å; L33-F78 HydrophobicContact CD2-CG 4.5Å; L33-F78 HydrophobicContact CD2-CZ 3.87Å; L33-F78 HydrophobicContact CG-CE1 4.48Å; L33-F78 HydrophobicContact CG-CZ 4.39Å; L33-R81 HydrophobicContact CD2-CG 4.43Å; L33-R81 WeakPolarHBondContact O-CD 3.39Å |
| 34 | N | 92.4 | Very high | 89.2 | Confident | 94 Ų | 94 | 58.4 Ų | 58.4 | 50% | 0.503 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -10.3 | 177.2 | -72.1 | -24 | 0 | 0 | 0 | 113.8 | I30 Y32 | I30-N34 VanDerWaalsContact CG2-ND2 3.3Å; I30-N34 WeakPolarHBondContact CG2-ND2 3.48Å; I30-N34 WeakPolarHBondContact O-CB 3.34Å; I30-N34 PolarHBondContact O-N 3.15Å; I30-N34 PolarHBondContact O-ND2 3.3Å; I30-N34 VanDerWaalsContact O-ND2 3.14Å; Y32-N34 VanDerWaalsContact C-N 3.3Å; Y32-N34 PolarHBondContact O-N 3.39Å |
| 35 | D | 89.2 | Confident | 89.2 | Confident | 64 Ų | 64 | 54.7 Ų | 54.7 | 34% | 0.342 | 28% | 0.284 | S | S | . | . | trans | -114.4 | 103.6 | 179.9 | -177.5 | -26 | 0 | 0 | 0 | 109.5 | Y32 L33 D37 R38 S39 | Y32-D35 PolarHBondContact O-N 3.05Å; L33-D35 PolarHBondContact O-N 2.92Å; D35-D37 VanDerWaalsContact C-N 3.32Å; D35-D37 PolarHBondContact O-N 2.88Å; D35-D37 PolarHBondContact OD1-N 2.87Å; D35-R38 HydrophobicContact CB-CB 3.81Å; D35-R38 PolarHBondContact O-N 2.94Å; D35-R38 PolarHBondContact OD1-N 3.39Å; D35-S39 VanDerWaalsContact O-CB 3.29Å; D35-S39 WeakPolarHBondContact O-CB 3.4Å; D35-S39 PolarHBondContact O-N 2.84Å; D35-S39 PolarHBondContact O-OG 3.05Å | ||
| 36 | P | 85.7 | Confident | 89.2 | Confident | 82 Ų | 82 | 59.4 Ų | 59.4 | 53% | 0.532 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -31.9 | -178.3 | -24.3 | 35.5 | 0 | 0 | 0 | 114.4 | S39 | P36-S39 PolarHBondContact O-N 3.03Š|
| 37 | D | 85.7 | Confident | 89.2 | Confident | 154 Ų | 154 | 63 Ų | 63 | 82% | 0.824 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -32.9 | -178.2 | -68.1 | -34.6 | 0 | 0 | 0 | 111 | D35 | D35-D37 VanDerWaalsContact C-N 3.32Å; D35-D37 PolarHBondContact O-N 2.88Å; D35-D37 PolarHBondContact OD1-N 2.87Å |
| 38 | R | 86.3 | Confident | 89.4 | Confident | 88 Ų | 88 | 59.4 Ų | 59.4 | 33% | 0.332 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -22.9 | 171.7 | -170.9 | 176.2 | 171.8 | -142.8 | -6 | 113.4 | D5 D31 Y32 D35 P40 | D5-R38 IonicContact OD1-CZ 3.23Å; D5-R38 VanDerWaalsContact OD1-CZ 3.23Å; D5-R38 IonicContact OD1-NE 3.07Å; D5-R38 PolarHBondContact OD1-NE 3.1Å; D5-R38 IonicContact OD1-NH2 2.67Å; D5-R38 PolarHBondContact OD1-NH2 3.28Å; D5-R38 IonicContact OD2-CZ 3.65Å; D5-R38 IonicContact OD2-NE 2.89Å; D5-R38 PolarHBondContact OD2-NE 3.12Å; D5-R38 IonicContact OD2-NH2 3.53Å; D31-R38 PolarHBondContact O-NH1 3.11Å; D31-R38 VanDerWaalsContact O-NH1 3.11Å; Y32-R38 HydrophobicContact CD2-CG 3.92Å; Y32-R38 HydrophobicContact CE2-CG 4.08Å; Y32-R38 WeakPolarHBondContact CE2-O 3.16Å; Y32-R38 PolarHBondContact OH-O 3.2Å; D35-R38 HydrophobicContact CB-CB 3.81Å; D35-R38 PolarHBondContact O-N 2.94Å; D35-R38 PolarHBondContact OD1-N 3.39Å; R38-P40 VanDerWaalsContact O-CD 3.23Å; R38-P40 WeakPolarHBondContact O-CD 3.47Å |
| 39 | S | 87.5 | Confident | 89.4 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | trans | -113.5 | 46.2 | -175.3 | 67.2 | 0 | 0 | 0 | 0 | 116.4 | Y32 D35 P36 D41 V42 R81 | Y32-S39 VanDerWaalsContact CE1-CB 3.44Å; Y32-S39 WeakPolarHBondContact O-CB 3.21Å; D35-S39 VanDerWaalsContact O-CB 3.29Å; D35-S39 WeakPolarHBondContact O-CB 3.4Å; D35-S39 PolarHBondContact O-N 2.84Å; D35-S39 PolarHBondContact O-OG 3.05Å; P36-S39 PolarHBondContact O-N 3.03Å; S39-D41 VanDerWaalsContact C-N 3.26Å; S39-D41 PolarHBondContact O-N 3.36Å; S39-V42 WeakPolarHBondContact O-CG2 3.28Å; S39-R81 PolarHBondContact O-NH2 3.03Å; S39-R81 PolarHBondContact OG-NE 3.41Å | ||
| 40 | P | 84.8 | Confident | 89.4 | Confident | 75 Ų | 75 | 58.4 Ų | 58.4 | 49% | 0.487 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -13 | -176.6 | 33 | -37.4 | 0 | 0 | 0 | 113.9 | R38 Q44 | R38-P40 VanDerWaalsContact O-CD 3.23Å; R38-P40 WeakPolarHBondContact O-CD 3.47Å; P40-Q44 PolarHBondContact O-NE2 2.98Å |
| 41 | D | 89.3 | Confident | 89.4 | Confident | 21 Ų | 21 | 62.6 Ų | 62.6 | 11% | 0.112 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -7.9 | -174 | 82.3 | -32 | 0 | 0 | 0 | 114.8 | M7 Y32 S39 E43 Q44 R48 | M7-D41 VanDerWaalsContact CB-OD2 3.31Å; M7-D41 WeakPolarHBondContact CB-OD2 3.46Å; M7-D41 WeakPolarHBondContact CG-OD1 3.04Å; M7-D41 PolarHBondContact N-OD2 3.08Å; Y32-D41 PolarHBondContact OH-OD1 2.94Å; S39-D41 VanDerWaalsContact C-N 3.26Å; S39-D41 PolarHBondContact O-N 3.36Å; D41-E43 PolarHBondContact O-N 2.7Å; D41-E43 VanDerWaalsContact O-N 3.11Å; D41-Q44 PolarHBondContact O-N 3.45Å; D41-Q44 VanDerWaalsContact O-N 3.15Å; D41-R48 PolarHBondContact O-NH2 3.15Å; D41-R48 IonicContact OD2-CZ 3.08Å; D41-R48 IonicContact OD2-NH1 3.3Å; D41-R48 IonicContact OD2-NH2 2.68Å; D41-R48 PolarHBondContact OD2-NH2 2.88Å; D41-R48 VanDerWaalsContact OD2-NH2 3.08Å |
| 42 | V | 87 | Confident | 89.5 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -34.4 | 179.4 | 175.7 | 0 | 0 | 0 | 0 | 112.3 | M7 Y32 L33 S39 L49 F78 L82 | M7-V42 HydrophobicContact CE-CG1 4.38Å; M7-V42 HydrophobicContact CE-CG2 4.42Å; M7-V42 HydrophobicContact CG-CB 4.41Å; M7-V42 HydrophobicContact CG-CG2 3.74Å; M7-V42 HydrophobicContact SD-CG2 3.95Å; Y32-V42 HydrophobicContact CE1-CG2 4.12Å; L33-V42 HydrophobicContact CD2-CG1 4.33Å; L33-V42 HydrophobicContact CD2-CG2 3.85Å; S39-V42 WeakPolarHBondContact O-CG2 3.28Å; V42-L49 HydrophobicContact CG1-CD1 4.28Å; V42-F78 HydrophobicContact CG1-CD1 4.41Å; V42-F78 HydrophobicContact CG1-CE1 4.1Å; V42-L82 HydrophobicContact CG1-CD2 4.23Å |
| 43 | E | 82.1 | Confident | 89.6 | Confident | 76 Ų | 76 | 58.9 Ų | 58.9 | 36% | 0.355 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -6.9 | -173.8 | -60.7 | -178.3 | -126.9 | 0 | 0 | 113.4 | D41 R81 L82 R85 | D41-E43 PolarHBondContact O-N 2.7Å; D41-E43 VanDerWaalsContact O-N 3.11Å; E43-R81 IonicContact OE1-CZ 3.61Å; E43-R81 IonicContact OE1-NH1 3.29Å; E43-R81 PolarHBondContact OE1-NH1 2.92Å; E43-R81 IonicContact OE1-NH2 3.62Å; E43-L82 HydrophobicContact CG-CD2 3.52Å; E43-R85 VanDerWaalsContact CD-NH2 3.26Å; E43-R85 IonicContact OE1-CZ 3.77Å; E43-R85 IonicContact OE1-NE 2.62Å; E43-R85 IonicContact OE1-NH2 2.78Å; E43-R85 PolarHBondContact OE1-NH2 3.48Å; E43-R85 IonicContact OE2-CZ 3.27Å; E43-R85 VanDerWaalsContact OE2-CZ 3.27Å; E43-R85 IonicContact OE2-NE 2.72Å; E43-R85 PolarHBondContact OE2-NE 3.38Å; E43-R85 IonicContact OE2-NH2 3.04Å; E43-R85 PolarHBondContact OE2-NH2 3.39Å |
| 44 | Q | 85.4 | Confident | 89.6 | Confident | 149 Ų | 149 | 62.6 Ų | 62.6 | 70% | 0.696 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -36 | -175.3 | -64.7 | -179.7 | 28.6 | 0 | 0 | 112.3 | P40 D41 | P40-Q44 PolarHBondContact O-NE2 2.98Å; D41-Q44 PolarHBondContact O-N 3.45Å; D41-Q44 VanDerWaalsContact O-N 3.15Å |
| 45 | D | 87.8 | Confident | 89.7 | Confident | 61 Ų | 61 | 61.6 Ų | 61.6 | 33% | 0.326 | 31% | 0.314 | S | S | . | . | trans | -113 | 92.6 | 172.7 | -174.4 | -17.5 | 0 | 0 | 0 | 110.2 | P47 R48 L49 | D45-P47 WeakPolarHBondContact OD1-CB 3.44Å; D45-P47 WeakPolarHBondContact OD1-CD 3.25Å; D45-P47 VanDerWaalsContact OD1-N 3.15Å; D45-R48 HydrophobicContact CB-CB 3.81Å; D45-R48 PolarHBondContact O-N 3.46Å; D45-R48 WeakPolarHBondContact OD1-CB 3.43Å; D45-R48 PolarHBondContact OD1-N 2.67Å; D45-R48 WeakPolarHBondContact OD2-CB 3.13Å; D45-L49 PolarHBondContact O-N 2.54Å | ||
| 46 | K | 87.6 | Confident | 90 | Very high | 112 Ų | 112 | 58.7 Ų | 58.7 | 49% | 0.487 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62 | -47.8 | 174.1 | 173.2 | 165.1 | 172.2 | 46.9 | 0 | 112.7 | R48 L49 D50 Y89 | K46-R48 PolarHBondContact O-N 3.03Å; K46-L49 PolarHBondContact O-N 2.87Å; K46-L49 VanDerWaalsContact O-N 3.08Å; K46-D50 VanDerWaalsContact NZ-CG 3.27Å; K46-D50 IonicContact NZ-OD1 3.26Å; K46-D50 PolarHBondContact NZ-OD1 3.13Å; K46-D50 IonicContact NZ-OD2 3.94Å; K46-D50 PolarHBondContact NZ-OD2 3.07Å; K46-D50 WeakPolarHBondContact O-CB 3.28Å; K46-D50 PolarHBondContact O-N 3.3Å; K46-Y89 PolarHBondContact NZ-OH 3.37Å; K46-Y89 VanDerWaalsContact NZ-OH 3.07Å |
| 47 | P | 92.4 | Very high | 90.5 | Very high | 77 Ų | 77 | 56.2 Ų | 56.2 | 50% | 0.5 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -54.1 | -29.2 | 173.1 | -29.8 | 35.4 | 0 | 0 | 0 | 116 | D45 K51 | D45-P47 WeakPolarHBondContact OD1-CB 3.44Å; D45-P47 WeakPolarHBondContact OD1-CD 3.25Å; D45-P47 VanDerWaalsContact OD1-N 3.15Å; P47-K51 VanDerWaalsContact O-CD 3.28Å; P47-K51 WeakPolarHBondContact O-CD 3.48Å; P47-K51 WeakPolarHBondContact O-CE 3.42Å; P47-K51 VanDerWaalsContact O-CG 3.29Å; P47-K51 WeakPolarHBondContact O-CG 3.45Å |
| 48 | R | 93.4 | Very high | 90.9 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 6% | 0.06 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -75.8 | -46.1 | 171 | 176.3 | 179.5 | 69.8 | -171.5 | 6.7 | 111.8 | D8 Y11 D41 D45 K46 D50 K51 T52 | D8-R48 WeakPolarHBondContact OD1-CD 3.39Å; D8-R48 IonicContact OD1-CZ 3.91Å; D8-R48 IonicContact OD1-NE 3.84Å; D8-R48 IonicContact OD1-NH1 3.08Å; D8-R48 PolarHBondContact OD1-NH1 2.84Å; D8-R48 IonicContact OD2-NH1 2.73Å; D8-R48 PolarHBondContact OD2-NH1 3.24Å; Y11-R48 HydrophobicContact CD1-CG 4.27Å; Y11-R48 HydrophobicContact CG-CG 4.12Å; D41-R48 PolarHBondContact O-NH2 3.15Å; D41-R48 IonicContact OD2-CZ 3.08Å; D41-R48 IonicContact OD2-NH1 3.3Å; D41-R48 IonicContact OD2-NH2 2.68Å; D41-R48 PolarHBondContact OD2-NH2 2.88Å; D41-R48 VanDerWaalsContact OD2-NH2 3.08Å; D45-R48 HydrophobicContact CB-CB 3.81Å; D45-R48 PolarHBondContact O-N 3.46Å; D45-R48 WeakPolarHBondContact OD1-CB 3.43Å; D45-R48 PolarHBondContact OD1-N 2.67Å; D45-R48 WeakPolarHBondContact OD2-CB 3.13Å; K46-R48 PolarHBondContact O-N 3.03Å; R48-D50 VanDerWaalsContact C-N 3.34Å; R48-D50 PolarHBondContact O-N 2.84Å; R48-K51 PolarHBondContact O-N 3.29Å; R48-T52 WeakPolarHBondContact O-CB 3.45Å; R48-T52 PolarHBondContact O-N 2.91Å; R48-T52 PolarHBondContact O-OG1 3Å |
| 49 | L | 93.2 | Very high | 91.3 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.5 | -45.3 | 176.6 | -179.4 | 62.3 | 0 | 0 | 0 | 111.6 | M7 V42 D45 K46 K51 T52 I53 F78 L82 Y89 | M7-L49 HydrophobicContact CE-CD1 4.46Å; V42-L49 HydrophobicContact CG1-CD1 4.28Å; D45-L49 PolarHBondContact O-N 2.54Å; K46-L49 PolarHBondContact O-N 2.87Å; K46-L49 VanDerWaalsContact O-N 3.08Å; L49-K51 PolarHBondContact O-N 2.67Å; L49-T52 WeakPolarHBondContact O-CB 3.28Å; L49-T52 PolarHBondContact O-N 3.06Å; L49-T52 VanDerWaalsContact O-N 3.15Å; L49-I53 HydrophobicContact CD1-CD1 3.9Å; L49-I53 HydrophobicContact CD1-CG1 4.31Å; L49-I53 HydrophobicContact CG-CD1 3.99Å; L49-I53 WeakPolarHBondContact O-CG1 3.29Å; L49-I53 PolarHBondContact O-N 2.91Å; L49-F78 HydrophobicContact CD1-CD1 3.85Å; L49-F78 HydrophobicContact CD1-CE1 3.55Å; L49-F78 HydrophobicContact CD1-CZ 4.47Å; L49-L82 HydrophobicContact CD1-CD1 4.28Å; L49-L82 HydrophobicContact CD2-CD1 3.97Å; L49-Y89 HydrophobicContact CD2-CE2 4.3Å |
| 50 | D | 93.2 | Very high | 91.8 | Very high | 48 Ų | 48 | 46.7 Ų | 46.7 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -55 | -52.9 | 177.9 | -65.9 | -3.8 | 0 | 0 | 0 | 110.7 | K46 R48 T52 I53 D54 Y89 | K46-D50 VanDerWaalsContact NZ-CG 3.27Å; K46-D50 IonicContact NZ-OD1 3.26Å; K46-D50 PolarHBondContact NZ-OD1 3.13Å; K46-D50 IonicContact NZ-OD2 3.94Å; K46-D50 PolarHBondContact NZ-OD2 3.07Å; K46-D50 WeakPolarHBondContact O-CB 3.28Å; K46-D50 PolarHBondContact O-N 3.3Å; R48-D50 VanDerWaalsContact C-N 3.34Å; R48-D50 PolarHBondContact O-N 2.84Å; D50-T52 VanDerWaalsContact C-N 3.34Å; D50-T52 PolarHBondContact O-N 2.77Å; D50-I53 PolarHBondContact O-N 3.26Å; D50-D54 PolarHBondContact O-N 3.22Å; D50-Y89 HydrophobicContact CB-CE1 4.45Å; D50-Y89 WeakPolarHBondContact OD1-CE1 3.34Å; D50-Y89 VanDerWaalsContact OD1-CZ 3.24Å; D50-Y89 PolarHBondContact OD1-OH 2.79Å |
| 51 | K | 94.3 | Very high | 92.2 | Very high | 107 Ų | 107 | 45.7 Ų | 45.7 | 47% | 0.465 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.7 | -34 | 177.1 | -65.7 | 166.3 | -166.6 | 160 | 0 | 113.4 | Y11 P47 R48 L49 E55 | Y11-K51 HydrophobicContact CE2-CB 3.78Å; P47-K51 VanDerWaalsContact O-CD 3.28Å; P47-K51 WeakPolarHBondContact O-CD 3.48Å; P47-K51 WeakPolarHBondContact O-CE 3.42Å; P47-K51 VanDerWaalsContact O-CG 3.29Å; P47-K51 WeakPolarHBondContact O-CG 3.45Å; R48-K51 PolarHBondContact O-N 3.29Å; L49-K51 PolarHBondContact O-N 2.67Å; K51-E55 PolarHBondContact O-N 3.09Å |
| 52 | T | 94.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.6 | -43.7 | 178 | -56.1 | 0 | 0 | 0 | 0 | 110.1 | Y11 V14 R48 L49 D50 L56 F78 | Y11-T52 VanDerWaalsContact CD2-OG1 3.25Å; Y11-T52 WeakPolarHBondContact CD2-OG1 3.39Å; V14-T52 HydrophobicContact CG1-CG2 4.46Å; V14-T52 HydrophobicContact CG2-CG2 4.2Å; R48-T52 WeakPolarHBondContact O-CB 3.45Å; R48-T52 PolarHBondContact O-N 2.91Å; R48-T52 PolarHBondContact O-OG1 3Å; L49-T52 WeakPolarHBondContact O-CB 3.28Å; L49-T52 PolarHBondContact O-N 3.06Å; L49-T52 VanDerWaalsContact O-N 3.15Å; D50-T52 VanDerWaalsContact C-N 3.34Å; D50-T52 PolarHBondContact O-N 2.77Å; T52-L56 HydrophobicContact CG2-CD1 4.1Å; T52-L56 WeakPolarHBondContact O-CB 3.49Å; T52-L56 WeakPolarHBondContact O-CD1 3.36Å; T52-L56 VanDerWaalsContact O-CG 3.24Å; T52-L56 WeakPolarHBondContact O-CG 2.98Å; T52-L56 PolarHBondContact O-N 2.88Å; T52-F78 HydrophobicContact CG2-CE2 4.36Å; T52-F78 HydrophobicContact CG2-CZ 4.02Å |
| 53 | I | 95.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.7 | -40.2 | 178.3 | -67.5 | 170.5 | 0 | 0 | 0 | 111.2 | L49 D50 L56 T57 F86 Y89 V93 | L49-I53 HydrophobicContact CD1-CD1 3.9Å; L49-I53 HydrophobicContact CD1-CG1 4.31Å; L49-I53 HydrophobicContact CG-CD1 3.99Å; L49-I53 WeakPolarHBondContact O-CG1 3.29Å; L49-I53 PolarHBondContact O-N 2.91Å; D50-I53 PolarHBondContact O-N 3.26Å; I53-L56 PolarHBondContact O-N 3.37Å; I53-T57 WeakPolarHBondContact O-CG2 3.42Å; I53-T57 PolarHBondContact O-N 2.91Å; I53-T57 VanDerWaalsContact O-N 3.1Å; I53-F86 HydrophobicContact CD1-CD2 4.42Å; I53-F86 HydrophobicContact CD1-CE2 3.84Å; I53-Y89 HydrophobicContact CB-CD1 4.33Å; I53-Y89 HydrophobicContact CD1-CD1 3.71Å; I53-Y89 HydrophobicContact CD1-CD2 3.51Å; I53-Y89 HydrophobicContact CD1-CE1 3.85Å; I53-Y89 HydrophobicContact CD1-CE2 3.67Å; I53-Y89 HydrophobicContact CD1-CG 3.54Å; I53-Y89 HydrophobicContact CG2-CD1 4.09Å; I53-Y89 HydrophobicContact CG2-CG 4.17Å; I53-V93 HydrophobicContact CG2-CG2 3.69Å |
| 54 | D | 94.8 | Very high | 93.2 | Very high | 79 Ų | 79 | 50.7 Ų | 50.7 | 42% | 0.422 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.3 | -51.1 | 174.1 | -72.8 | -20.4 | 0 | 0 | 0 | 111.6 | D50 L56 T57 T92 | D50-D54 PolarHBondContact O-N 3.22Å; D54-L56 VanDerWaalsContact C-N 3.33Å; D54-L56 PolarHBondContact O-N 3.02Å; D54-T57 WeakPolarHBondContact O-CB 3.49Å; D54-T57 PolarHBondContact O-N 3.45Å; D54-T57 VanDerWaalsContact O-N 3.13Å; D54-T57 PolarHBondContact O-OG1 3.37Å; D54-T92 WeakPolarHBondContact OD1-CG2 3.3Å |
| 55 | E | 94.8 | Very high | 93.6 | Very high | 73 Ų | 73 | 47.5 Ų | 47.5 | 34% | 0.341 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.5 | -35.3 | 176.5 | -79.8 | -74.9 | 163.2 | 0 | 0 | 112.7 | V14 L15 K51 T57 G58 W59 | V14-E55 HydrophobicContact CG1-CB 3.71Å; L15-E55 HydrophobicContact CD2-CG 3.91Å; K51-E55 PolarHBondContact O-N 3.09Å; E55-T57 VanDerWaalsContact C-N 3.26Å; E55-T57 PolarHBondContact O-N 3.07Å; E55-G58 CarbonylContact O-C 3.56Å; E55-G58 VanDerWaalsContact O-CA 3.3Å; E55-G58 WeakPolarHBondContact O-CA 3.46Å; E55-G58 PolarHBondContact O-N 3.1Å; E55-W59 PolarHBondContact O-N 3.24Å; E55-W59 VanDerWaalsContact O-N 3.14Å |
| 56 | L | 95.2 | Very high | 93.9 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.3 | -27.3 | 174.3 | -77 | 166.5 | 0 | 0 | 0 | 112.9 | V14 T52 I53 D54 G58 W59 I60 I74 F78 | V14-L56 HydrophobicContact CG1-CD2 4.31Å; V14-L56 HydrophobicContact CG1-CG 4.08Å; V14-L56 HydrophobicContact CG2-CD2 4.43Å; T52-L56 HydrophobicContact CG2-CD1 4.1Å; T52-L56 WeakPolarHBondContact O-CB 3.49Å; T52-L56 WeakPolarHBondContact O-CD1 3.36Å; T52-L56 VanDerWaalsContact O-CG 3.24Å; T52-L56 WeakPolarHBondContact O-CG 2.98Å; T52-L56 PolarHBondContact O-N 2.88Å; I53-L56 PolarHBondContact O-N 3.37Å; D54-L56 VanDerWaalsContact C-N 3.33Å; D54-L56 PolarHBondContact O-N 3.02Å; L56-G58 PolarHBondContact O-N 3.29Å; L56-W59 HydrophobicContact CD2-CB 4.36Å; L56-W59 HydrophobicContact CD2-CD2 4.23Å; L56-W59 HydrophobicContact CD2-CG 4.17Å; L56-W59 WeakPolarHBondContact O-CA 3.33Å; L56-W59 WeakPolarHBondContact O-CB 3.48Å; L56-W59 PolarHBondContact O-N 2.66Å; L56-I60 WeakPolarHBondContact O-CG1 3.42Å; L56-I60 PolarHBondContact O-N 3.01Å; L56-I74 HydrophobicContact CD1-CG2 3.7Å; L56-I74 HydrophobicContact CD2-CB 4.16Å; L56-I74 HydrophobicContact CD2-CD1 4.12Å; L56-I74 HydrophobicContact CD2-CG2 3.74Å; L56-I74 HydrophobicContact CG-CG2 4.41Å; L56-F78 HydrophobicContact CD1-CD2 3.83Å; L56-F78 HydrophobicContact CD1-CE2 3.5Å; L56-F78 VanDerWaalsContact CD1-CE2 3.5Å; L56-F78 HydrophobicContact CD1-CZ 4.49Å |
| 57 | T | 95.4 | Very high | 94.3 | Very high | 31 Ų | 31 | 44.9 Ų | 44.9 | 19% | 0.19 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.5 | -32.4 | 168.8 | 74.9 | 0 | 0 | 0 | 0 | 112.1 | I53 D54 E55 W59 I60 N61 T92 V93 A96 | I53-T57 WeakPolarHBondContact O-CG2 3.42Å; I53-T57 PolarHBondContact O-N 2.91Å; I53-T57 VanDerWaalsContact O-N 3.1Å; D54-T57 WeakPolarHBondContact O-CB 3.49Å; D54-T57 PolarHBondContact O-N 3.45Å; D54-T57 VanDerWaalsContact O-N 3.13Å; D54-T57 PolarHBondContact O-OG1 3.37Å; E55-T57 VanDerWaalsContact C-N 3.26Å; E55-T57 PolarHBondContact O-N 3.07Å; T57-W59 VanDerWaalsContact C-N 3.33Å; T57-I60 PolarHBondContact O-N 3.4Å; T57-N61 WeakPolarHBondContact O-CB 3.35Å; T57-N61 PolarHBondContact O-N 3.23Å; T57-T92 HydrophobicContact CG2-CG2 3.72Å; T57-V93 HydrophobicContact CG2-CG2 4.35Å; T57-A96 HydrophobicContact CG2-CB 4.42Å |
| 58 | G | 94.1 | Very high | 94.4 | Very high | 38 Ų | 38 | 41.2 Ų | 41.2 | 39% | 0.392 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -71.6 | -21.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E55 L56 S62 | E55-G58 CarbonylContact O-C 3.56Å; E55-G58 VanDerWaalsContact O-CA 3.3Å; E55-G58 WeakPolarHBondContact O-CA 3.46Å; E55-G58 PolarHBondContact O-N 3.1Å; L56-G58 PolarHBondContact O-N 3.29Å; G58-S62 PolarHBondContact O-N 2.97Å |
| 59 | W | 95.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.015 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -75.6 | -50.5 | 166.3 | -73.4 | 52.5 | 0 | 0 | 0 | 110.9 | V14 R22 E55 L56 T57 N61 S62 V67 A68 L70 I74 | V14-W59 PolarHBondContact O-NE1 3.12Å; R22-W59 HydrophobicContact CB-CE3 4.47Å; R22-W59 HydrophobicContact CB-CH2 3.51Å; R22-W59 HydrophobicContact CB-CZ2 3.87Å; R22-W59 HydrophobicContact CB-CZ3 3.84Å; R22-W59 HydrophobicContact CG-CH2 3.6Å; R22-W59 HydrophobicContact CG-CZ2 3.38Å; R22-W59 HydrophobicContact CG-CZ3 4.24Å; R22-W59 WeakPolarHBondContact O-CH2 3.24Å; E55-W59 PolarHBondContact O-N 3.24Å; E55-W59 VanDerWaalsContact O-N 3.14Å; L56-W59 HydrophobicContact CD2-CB 4.36Å; L56-W59 HydrophobicContact CD2-CD2 4.23Å; L56-W59 HydrophobicContact CD2-CG 4.17Å; L56-W59 WeakPolarHBondContact O-CA 3.33Å; L56-W59 WeakPolarHBondContact O-CB 3.48Å; L56-W59 PolarHBondContact O-N 2.66Å; T57-W59 VanDerWaalsContact C-N 3.33Å; W59-N61 VanDerWaalsContact C-N 3.28Å; W59-N61 PolarHBondContact O-N 2.99Å; W59-S62 WeakPolarHBondContact O-CB 3.2Å; W59-S62 PolarHBondContact O-N 3.37Å; W59-V67 HydrophobicContact CB-CG1 4.28Å; W59-V67 HydrophobicContact CD2-CG1 4.12Å; W59-V67 HydrophobicContact CE3-CG1 3.96Å; W59-V67 HydrophobicContact CG-CG1 4.27Å; W59-A68 VanDerWaalsContact O-CA 3.32Å; W59-A68 WeakPolarHBondContact O-CA 3.16Å; W59-L70 HydrophobicContact CZ3-CD2 4.18Å; W59-L70 HydrophobicContact CZ3-CG 4.36Å; W59-I74 HydrophobicContact CE3-CD1 4.03Å; W59-I74 HydrophobicContact CZ3-CD1 3.76Å |
| 60 | I | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -53 | -45.2 | 176.8 | -68.9 | 167 | 0 | 0 | 0 | 111.1 | L56 T57 S62 A68 G71 I72 C75 A96 L97 R100 | L56-I60 WeakPolarHBondContact O-CG1 3.42Å; L56-I60 PolarHBondContact O-N 3.01Å; T57-I60 PolarHBondContact O-N 3.4Å; I60-S62 VanDerWaalsContact C-N 3.3Å; I60-S62 PolarHBondContact O-N 3.09Å; I60-A68 WeakPolarHBondContact O-CB 3.27Å; I60-G71 VanDerWaalsContact CG1-C 3.49Å; I60-I72 HydrophobicContact CG1-CG1 4.06Å; I60-I72 HydrophobicContact CG2-CG1 4.06Å; I60-C75 HydrophobicContact CD1-CB 4.01Å; I60-A96 HydrophobicContact CB-CB 4.36Å; I60-A96 HydrophobicContact CG2-CB 3.88Å; I60-L97 HydrophobicContact CD1-CD2 4.26Å; I60-L97 HydrophobicContact CG2-CD2 4.02Å; I60-R100 HydrophobicContact CG2-CG 3.69Å; I60-R100 WeakPolarHBondContact O-CD 3.39Å; I60-R100 WeakPolarHBondContact O-CG 3.24Å |
| 61 | N | 94.3 | Very high | 94.9 | Very high | 53 Ų | 53 | 39.4 Ų | 39.4 | 28% | 0.283 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 14.4 | 178.3 | -96.4 | -23.3 | 0 | 0 | 0 | 114.5 | T57 W59 D99 R100 | T57-N61 WeakPolarHBondContact O-CB 3.35Å; T57-N61 PolarHBondContact O-N 3.23Å; W59-N61 VanDerWaalsContact C-N 3.28Å; W59-N61 PolarHBondContact O-N 2.99Å; N61-D99 PolarHBondContact ND2-OD2 2.91Å; N61-D99 VanDerWaalsContact OD1-CB 3.28Å; N61-D99 WeakPolarHBondContact OD1-CB 3.46Å; N61-R100 VanDerWaalsContact OD1-CZ 3.24Å; N61-R100 PolarHBondContact OD1-NE 3.13Å; N61-R100 PolarHBondContact OD1-NH2 3.4Å |
| 62 | S | 93.9 | Very high | 95 | Very high | 20 Ų | 20 | 34.4 Ų | 34.4 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | trans | -61.5 | 146.4 | 179 | -171 | 0 | 0 | 0 | 0 | 113.1 | G58 W59 I60 N64 | G58-S62 PolarHBondContact O-N 2.97Å; W59-S62 WeakPolarHBondContact O-CB 3.2Å; W59-S62 PolarHBondContact O-N 3.37Å; I60-S62 VanDerWaalsContact C-N 3.3Å; I60-S62 PolarHBondContact O-N 3.09Å; S62-N64 PolarHBondContact O-N 3.11Å; S62-N64 PolarHBondContact OG-N 3.28Å | ||
| 63 | S | 91.4 | Very high | 95.1 | Very high | 133 Ų | 133 | 37.6 Ų | 37.6 | 93% | 0.93 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -70 | -16.7 | 170.9 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 64 | N | 93.4 | Very high | 95.2 | Very high | 49 Ų | 49 | 37.5 Ų | 37.5 | 26% | 0.262 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -92.1 | 110.5 | 171.7 | -171.9 | -43.6 | 0 | 0 | 0 | 109.9 | V19 S62 K66 V67 A68 | V19-N64 VanDerWaalsContact CG1-ND2 3.33Å; V19-N64 WeakPolarHBondContact CG1-ND2 3.48Å; S62-N64 PolarHBondContact O-N 3.11Å; S62-N64 PolarHBondContact OG-N 3.28Å; N64-K66 PolarHBondContact O-N 3.41Å; N64-K66 WeakPolarHBondContact OD1-CB 3.48Å; N64-K66 PolarHBondContact OD1-N 3.07Å; N64-V67 HydrophobicContact CB-CB 4.25Å; N64-V67 HydrophobicContact CB-CG2 4.03Å; N64-V67 PolarHBondContact O-N 3.2Å; N64-A68 PolarHBondContact O-N 3.28Å |
| 65 | F | 93.5 | Very high | 95.3 | Very high | 82 Ų | 82 | 33.9 Ų | 33.9 | 36% | 0.36 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -57.3 | -26.7 | -176.6 | 80 | -85.2 | 0 | 0 | 0 | 114.4 | L69 K105 V108 | F65-L69 HydrophobicContact CD2-CD1 4.18Å; F65-L69 VanDerWaalsContact O-CG 3.3Å; F65-L69 WeakPolarHBondContact O-CG 3.16Å; F65-L69 PolarHBondContact O-N 2.88Å; F65-K105 HydrophobicContact CB-CG 4.12Å; F65-K105 HydrophobicContact CD2-CG 4.43Å; F65-K105 HydrophobicContact CG-CG 4.25Å; F65-V108 HydrophobicContact CB-CG2 4.19Å |
| 66 | K | 95.1 | Very high | 95.4 | Very high | 118 Ų | 118 | 30.5 Ų | 30.5 | 51% | 0.513 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -72.3 | -37 | 174.8 | -64.6 | -170.2 | 174.7 | -170.9 | 0 | 112.2 | L23 N64 L70 | L23-K66 HydrophobicContact CD1-CB 4.14Å; L23-K66 HydrophobicContact CD1-CD 4.27Å; L23-K66 HydrophobicContact CD2-CB 3.68Å; N64-K66 PolarHBondContact O-N 3.41Å; N64-K66 WeakPolarHBondContact OD1-CB 3.48Å; N64-K66 PolarHBondContact OD1-N 3.07Å; K66-L70 VanDerWaalsContact O-CB 3.29Å; K66-L70 WeakPolarHBondContact O-CB 3.44Å; K66-L70 PolarHBondContact O-N 2.85Å |
| 67 | V | 95 | Very high | 95.4 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -73 | -33.4 | 175.2 | -179.6 | 0 | 0 | 0 | 0 | 110.3 | V19 L23 W59 N64 G71 | V19-V67 HydrophobicContact CG1-CG2 4.06Å; L23-V67 HydrophobicContact CD2-CG2 3.89Å; L23-V67 HydrophobicContact CG-CG2 4.01Å; W59-V67 HydrophobicContact CB-CG1 4.28Å; W59-V67 HydrophobicContact CD2-CG1 4.12Å; W59-V67 HydrophobicContact CE3-CG1 3.96Å; W59-V67 HydrophobicContact CG-CG1 4.27Å; N64-V67 HydrophobicContact CB-CB 4.25Å; N64-V67 HydrophobicContact CB-CG2 4.03Å; N64-V67 PolarHBondContact O-N 3.2Å; V67-G71 PolarHBondContact O-N 2.98Å |
| 68 | A | 96.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.1 | -49.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | W59 I60 N64 G71 I72 | W59-A68 VanDerWaalsContact O-CA 3.32Å; W59-A68 WeakPolarHBondContact O-CA 3.16Å; I60-A68 WeakPolarHBondContact O-CB 3.27Å; N64-A68 PolarHBondContact O-N 3.28Å; A68-G71 PolarHBondContact O-N 3.02Å; A68-I72 VanDerWaalsContact O-CG1 3.31Å; A68-I72 WeakPolarHBondContact O-CG1 3.4Å; A68-I72 PolarHBondContact O-N 3Å |
| 69 | L | 96.4 | Very high | 95.4 | Very high | 15 Ų | 15 | 27.3 Ų | 27.3 | 8% | 0.079 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.5 | -52.6 | 173.6 | -71.4 | 169.4 | 0 | 0 | 0 | 111.1 | F65 G71 I72 D73 Q107 V108 N111 | F65-L69 HydrophobicContact CD2-CD1 4.18Å; F65-L69 VanDerWaalsContact O-CG 3.3Å; F65-L69 WeakPolarHBondContact O-CG 3.16Å; F65-L69 PolarHBondContact O-N 2.88Å; L69-G71 VanDerWaalsContact C-N 3.26Å; L69-G71 PolarHBondContact O-N 3.3Å; L69-I72 CarbonylContact O-C 3.52Å; L69-I72 WeakPolarHBondContact O-CA 3.34Å; L69-I72 WeakPolarHBondContact O-CB 3.46Å; L69-I72 PolarHBondContact O-N 3.41Å; L69-D73 PolarHBondContact O-N 3.44Å; L69-Q107 HydrophobicContact CD1-CG 4.18Å; L69-Q107 HydrophobicContact CD2-CG 4Å; L69-V108 HydrophobicContact CD2-CB 4.49Å; L69-V108 HydrophobicContact CD2-CG2 3.94Å; L69-V108 HydrophobicContact CG-CG2 3.96Å; L69-N111 HydrophobicContact CD2-CB 3.97Å |
| 70 | L | 96 | Very high | 95.3 | Very high | 18 Ų | 18 | 30.6 Ų | 30.6 | 9% | 0.094 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.7 | -34.6 | -179.9 | -171.9 | 58 | 0 | 0 | 0 | 112.7 | R22 L23 I30 W59 K66 D73 I74 | R22-L70 WeakPolarHBondContact O-CD2 3.2Å; L23-L70 HydrophobicContact CD2-CD2 3.9Å; I30-L70 HydrophobicContact CD1-CD1 3.78Å; W59-L70 HydrophobicContact CZ3-CD2 4.18Å; W59-L70 HydrophobicContact CZ3-CG 4.36Å; K66-L70 VanDerWaalsContact O-CB 3.29Å; K66-L70 WeakPolarHBondContact O-CB 3.44Å; K66-L70 PolarHBondContact O-N 2.85Å; L70-D73 PolarHBondContact O-N 3.09Å; L70-I74 HydrophobicContact CD1-CD1 4.39Å; L70-I74 HydrophobicContact CD1-CG1 4.42Å; L70-I74 HydrophobicContact CG-CD1 3.98Å; L70-I74 HydrophobicContact CG-CG1 4.5Å; L70-I74 WeakPolarHBondContact O-CB 3.35Å; L70-I74 WeakPolarHBondContact O-CD1 3.39Å; L70-I74 WeakPolarHBondContact O-CG1 3.48Å; L70-I74 PolarHBondContact O-N 3.17Å |
| 71 | G | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.4 | -36.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | I60 V67 A68 L69 C75 | I60-G71 VanDerWaalsContact CG1-C 3.49Å; V67-G71 PolarHBondContact O-N 2.98Å; A68-G71 PolarHBondContact O-N 3.02Å; L69-G71 VanDerWaalsContact C-N 3.26Å; L69-G71 PolarHBondContact O-N 3.3Å; G71-C75 WeakPolarHBondContact O-CB 3.49Å; G71-C75 PolarHBondContact O-N 2.85Å; G71-C75 VanDerWaalsContact O-N 3.09Å |
| 72 | I | 97.6 | Very high | 95 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.8 | -44.4 | 171.5 | -66 | 164.4 | 0 | 0 | 0 | 109.7 | I60 A68 L69 C75 G76 L97 R100 V108 N111 L115 | I60-I72 HydrophobicContact CG1-CG1 4.06Å; I60-I72 HydrophobicContact CG2-CG1 4.06Å; A68-I72 VanDerWaalsContact O-CG1 3.31Å; A68-I72 WeakPolarHBondContact O-CG1 3.4Å; A68-I72 PolarHBondContact O-N 3Å; L69-I72 CarbonylContact O-C 3.52Å; L69-I72 WeakPolarHBondContact O-CA 3.34Å; L69-I72 WeakPolarHBondContact O-CB 3.46Å; L69-I72 PolarHBondContact O-N 3.41Å; I72-C75 WeakPolarHBondContact O-CB 3.3Å; I72-C75 PolarHBondContact O-N 3.05Å; I72-G76 PolarHBondContact O-N 3.5Å; I72-L97 HydrophobicContact CG1-CD2 4.07Å; I72-R100 HydrophobicContact CD1-CG 4.37Å; I72-V108 HydrophobicContact CD1-CG1 4.36Å; I72-N111 HydrophobicContact CD1-CB 4.44Å; I72-N111 HydrophobicContact CG2-CB 4.1Å; I72-L115 HydrophobicContact CG2-CB 4.07Å; I72-L115 HydrophobicContact CG2-CD2 3.84Å |
| 73 | D | 96.8 | Very high | 94.8 | Very high | 67 Ų | 67 | 29.9 Ų | 29.9 | 36% | 0.358 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -70 | -40.5 | -175.7 | -57.9 | -27.8 | 0 | 0 | 0 | 111.6 | I30 L69 L70 G76 A77 N111 | I30-D73 HydrophobicContact CD1-CB 3.92Å; L69-D73 PolarHBondContact O-N 3.44Å; L70-D73 PolarHBondContact O-N 3.09Å; D73-G76 PolarHBondContact O-N 3.37Å; D73-A77 PolarHBondContact O-N 2.92Å; D73-N111 PolarHBondContact OD1-ND2 2.96Å |
| 74 | I | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61 | -43.6 | 169.3 | -67.2 | 159.6 | 0 | 0 | 0 | 110.8 | L29 I30 L33 L56 W59 L70 G76 A77 F78 | L29-I74 HydrophobicContact CD2-CD1 4.3Å; L29-I74 HydrophobicContact CD2-CG1 4.46Å; L29-I74 HydrophobicContact CD2-CG2 3.75Å; L29-I74 HydrophobicContact CG-CG2 4.14Å; I30-I74 HydrophobicContact CD1-CG1 3.96Å; I30-I74 HydrophobicContact CG1-CB 4.39Å; I30-I74 HydrophobicContact CG1-CG1 3.72Å; L33-I74 HydrophobicContact CD1-CG2 4.33Å; L56-I74 HydrophobicContact CD1-CG2 3.7Å; L56-I74 HydrophobicContact CD2-CB 4.16Å; L56-I74 HydrophobicContact CD2-CD1 4.12Å; L56-I74 HydrophobicContact CD2-CG2 3.74Å; L56-I74 HydrophobicContact CG-CG2 4.41Å; W59-I74 HydrophobicContact CE3-CD1 4.03Å; W59-I74 HydrophobicContact CZ3-CD1 3.76Å; L70-I74 HydrophobicContact CD1-CD1 4.39Å; L70-I74 HydrophobicContact CD1-CG1 4.42Å; L70-I74 HydrophobicContact CG-CD1 3.98Å; L70-I74 HydrophobicContact CG-CG1 4.5Å; L70-I74 WeakPolarHBondContact O-CB 3.35Å; L70-I74 WeakPolarHBondContact O-CD1 3.39Å; L70-I74 WeakPolarHBondContact O-CG1 3.48Å; L70-I74 PolarHBondContact O-N 3.17Å; I74-G76 VanDerWaalsContact C-N 3.27Å; I74-G76 PolarHBondContact O-N 3.45Å; I74-A77 WeakPolarHBondContact O-CB 3.45Å; I74-A77 PolarHBondContact O-N 2.82Å; I74-A77 VanDerWaalsContact O-N 3.12Å; I74-F78 HydrophobicContact CG2-CD2 3.85Å; I74-F78 HydrophobicContact CG2-CE2 3.68Å; I74-F78 WeakPolarHBondContact O-CD2 3.45Å; I74-F78 PolarHBondContact O-N 3.41Å |
| 75 | C | 96.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 3% | 0.027 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.6 | -34.8 | 177.1 | -169.1 | 0 | 0 | 0 | 0 | 111.7 | I60 G71 I72 F78 V79 L115 | I60-C75 HydrophobicContact CD1-CB 4.01Å; G71-C75 WeakPolarHBondContact O-CB 3.49Å; G71-C75 PolarHBondContact O-N 2.85Å; G71-C75 VanDerWaalsContact O-N 3.09Å; I72-C75 WeakPolarHBondContact O-CB 3.3Å; I72-C75 PolarHBondContact O-N 3.05Å; C75-F78 PolarHBondContact O-N 3.46Å; C75-V79 WeakPolarHBondContact O-CG2 3.46Å; C75-V79 PolarHBondContact O-N 3.31Å; C75-L115 HydrophobicContact CB-CD2 3.95Å |
| 76 | G | 96.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.1 | -47.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I72 D73 I74 F78 V79 D80 | I72-G76 PolarHBondContact O-N 3.5Å; D73-G76 PolarHBondContact O-N 3.37Å; I74-G76 VanDerWaalsContact C-N 3.27Å; I74-G76 PolarHBondContact O-N 3.45Å; G76-F78 VanDerWaalsContact C-N 3.32Å; G76-F78 PolarHBondContact O-N 3.11Å; G76-V79 WeakPolarHBondContact O-CB 3.38Å; G76-V79 PolarHBondContact O-N 3.1Å; G76-V79 VanDerWaalsContact O-N 3.07Å; G76-D80 VanDerWaalsContact O-CG 3.25Å; G76-D80 PolarHBondContact O-N 2.95Å |
| 77 | A | 95.4 | Very high | 94.6 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 3% | 0.033 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.8 | -38.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I30 L33 D73 I74 D80 R81 | I30-A77 HydrophobicContact CG1-CB 4.46Å; L33-A77 HydrophobicContact CB-CB 3.86Å; L33-A77 HydrophobicContact CD1-CB 3.96Å; D73-A77 PolarHBondContact O-N 2.92Å; I74-A77 WeakPolarHBondContact O-CB 3.45Å; I74-A77 PolarHBondContact O-N 2.82Å; I74-A77 VanDerWaalsContact O-N 3.12Å; A77-D80 PolarHBondContact O-N 3.17Å; A77-R81 WeakPolarHBondContact O-CB 3.17Å; A77-R81 PolarHBondContact O-N 3.43Å |
| 78 | F | 95.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65 | -38.5 | 171.3 | -82.6 | -72.8 | 0 | 0 | 0 | 113.3 | M7 L33 V42 L49 T52 L56 I74 C75 G76 L82 F86 | M7-F78 HydrophobicContact CE-CE1 3.79Å; M7-F78 HydrophobicContact CE-CZ 3.83Å; M7-F78 HydrophobicContact SD-CZ 4.38Å; L33-F78 HydrophobicContact CD1-CD1 4.23Å; L33-F78 HydrophobicContact CD1-CD2 3.65Å; L33-F78 HydrophobicContact CD1-CE1 4.08Å; L33-F78 HydrophobicContact CD1-CE2 3.46Å; L33-F78 VanDerWaalsContact CD1-CE2 3.46Å; L33-F78 HydrophobicContact CD1-CG 4.02Å; L33-F78 HydrophobicContact CD1-CZ 3.69Å; L33-F78 HydrophobicContact CD2-CD1 3.91Å; L33-F78 HydrophobicContact CD2-CE1 3.57Å; L33-F78 HydrophobicContact CD2-CE2 4.46Å; L33-F78 HydrophobicContact CD2-CG 4.5Å; L33-F78 HydrophobicContact CD2-CZ 3.87Å; L33-F78 HydrophobicContact CG-CE1 4.48Å; L33-F78 HydrophobicContact CG-CZ 4.39Å; V42-F78 HydrophobicContact CG1-CD1 4.41Å; V42-F78 HydrophobicContact CG1-CE1 4.1Å; L49-F78 HydrophobicContact CD1-CD1 3.85Å; L49-F78 HydrophobicContact CD1-CE1 3.55Å; L49-F78 HydrophobicContact CD1-CZ 4.47Å; T52-F78 HydrophobicContact CG2-CE2 4.36Å; T52-F78 HydrophobicContact CG2-CZ 4.02Å; L56-F78 HydrophobicContact CD1-CD2 3.83Å; L56-F78 HydrophobicContact CD1-CE2 3.5Å; L56-F78 VanDerWaalsContact CD1-CE2 3.5Å; L56-F78 HydrophobicContact CD1-CZ 4.49Å; I74-F78 HydrophobicContact CG2-CD2 3.85Å; I74-F78 HydrophobicContact CG2-CE2 3.68Å; I74-F78 WeakPolarHBondContact O-CD2 3.45Å; I74-F78 PolarHBondContact O-N 3.41Å; C75-F78 PolarHBondContact O-N 3.46Å; G76-F78 VanDerWaalsContact C-N 3.32Å; G76-F78 PolarHBondContact O-N 3.11Å; F78-L82 HydrophobicContact CB-CD1 4.49Å; F78-L82 HydrophobicContact CD1-CD1 4.08Å; F78-L82 VanDerWaalsContact O-CB 3.23Å; F78-L82 WeakPolarHBondContact O-CB 3.43Å; F78-L82 WeakPolarHBondContact O-CG 3.49Å; F78-L82 PolarHBondContact O-N 2.92Å; F78-F86 HydrophobicContact CB-CD2 4.33Å; F78-F86 HydrophobicContact CB-CE2 3.86Å |
| 79 | V | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.4 | -46.6 | 175 | 162.2 | 0 | 0 | 0 | 0 | 110.8 | C75 G76 G83 F86 L115 R118 L119 Q122 T123 | C75-V79 WeakPolarHBondContact O-CG2 3.46Å; C75-V79 PolarHBondContact O-N 3.31Å; G76-V79 WeakPolarHBondContact O-CB 3.38Å; G76-V79 PolarHBondContact O-N 3.1Å; G76-V79 VanDerWaalsContact O-N 3.07Å; V79-G83 WeakPolarHBondContact O-CA 3.32Å; V79-G83 PolarHBondContact O-N 3.02Å; V79-F86 HydrophobicContact CG2-CD1 3.64Å; V79-F86 HydrophobicContact CG2-CD2 4.17Å; V79-F86 HydrophobicContact CG2-CE1 3.57Å; V79-F86 HydrophobicContact CG2-CE2 4.12Å; V79-F86 HydrophobicContact CG2-CG 3.93Å; V79-F86 HydrophobicContact CG2-CZ 3.81Å; V79-L115 HydrophobicContact CB-CD1 4.5Å; V79-L115 HydrophobicContact CG2-CD1 4.21Å; V79-R118 HydrophobicContact CG1-CG 4.5Å; V79-L119 HydrophobicContact CB-CD2 4.41Å; V79-L119 HydrophobicContact CG1-CD2 4.16Å; V79-L119 HydrophobicContact CG2-CD2 3.33Å; V79-L119 HydrophobicContact CG2-CG 4.36Å; V79-Q122 HydrophobicContact CG1-CB 4.03Å; V79-Q122 HydrophobicContact CG1-CG 4.5Å; V79-T123 HydrophobicContact CB-CG2 4.47Å; V79-T123 HydrophobicContact CG1-CG2 3.7Å; V79-T123 HydrophobicContact CG2-CG2 4.34Å |
| 80 | D | 93.1 | Very high | 94.2 | Very high | 72 Ų | 72 | 33.7 Ų | 33.7 | 39% | 0.385 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -72.3 | -34.4 | -177.4 | -59.8 | -28.7 | 0 | 0 | 0 | 111.6 | G76 A77 R118 | G76-D80 VanDerWaalsContact O-CG 3.25Å; G76-D80 PolarHBondContact O-N 2.95Å; A77-D80 PolarHBondContact O-N 3.17Å; D80-R118 WeakPolarHBondContact OD1-CD 3.35Å; D80-R118 IonicContact OD1-NH1 3.5Å; D80-R118 IonicContact OD2-CZ 2.89Å; D80-R118 IonicContact OD2-NH1 2.92Å; D80-R118 PolarHBondContact OD2-NH1 2.98Å |
| 81 | R | 91.6 | Very high | 94.1 | Very high | 39 Ų | 39 | 35.2 Ų | 35.2 | 15% | 0.147 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -75.4 | -24.8 | 177.3 | 180 | 57.7 | -172.7 | 77.1 | 3.7 | 114.2 | L33 S39 E43 A77 | L33-R81 HydrophobicContact CD2-CG 4.43Å; L33-R81 WeakPolarHBondContact O-CD 3.39Å; S39-R81 PolarHBondContact O-NH2 3.03Å; S39-R81 PolarHBondContact OG-NE 3.41Å; E43-R81 IonicContact OE1-CZ 3.61Å; E43-R81 IonicContact OE1-NH1 3.29Å; E43-R81 PolarHBondContact OE1-NH1 2.92Å; E43-R81 IonicContact OE1-NH2 3.62Å; A77-R81 WeakPolarHBondContact O-CB 3.17Å; A77-R81 PolarHBondContact O-N 3.43Å |
| 82 | L | 91.3 | Very high | 93.9 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -111.6 | -23.9 | -175.3 | -64.8 | 168.9 | 0 | 0 | 0 | 114.4 | V42 E43 L49 F78 E84 R85 F86 | V42-L82 HydrophobicContact CG1-CD2 4.23Å; E43-L82 HydrophobicContact CG-CD2 3.52Å; L49-L82 HydrophobicContact CD1-CD1 4.28Å; L49-L82 HydrophobicContact CD2-CD1 3.97Å; F78-L82 HydrophobicContact CB-CD1 4.49Å; F78-L82 HydrophobicContact CD1-CD1 4.08Å; F78-L82 VanDerWaalsContact O-CB 3.23Å; F78-L82 WeakPolarHBondContact O-CB 3.43Å; F78-L82 WeakPolarHBondContact O-CG 3.49Å; F78-L82 PolarHBondContact O-N 2.92Å; L82-E84 PolarHBondContact O-N 3.18Å; L82-R85 HydrophobicContact CB-CB 4.49Å; L82-R85 WeakPolarHBondContact O-CB 3.29Å; L82-R85 PolarHBondContact O-N 3.25Å; L82-R85 PolarHBondContact O-NH1 3.04Å; L82-F86 HydrophobicContact CB-CB 4.18Å; L82-F86 HydrophobicContact CD1-CD2 3.98Å |
| 83 | G | 90.9 | Very high | 93.9 | Very high | 16 Ų | 16 | 37.6 Ų | 37.6 | 17% | 0.165 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | 52.9 | -129 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V79 R85 F86 Q122 | V79-G83 WeakPolarHBondContact O-CA 3.32Å; V79-G83 PolarHBondContact O-N 3.02Å; G83-R85 PolarHBondContact O-N 3.44Å; G83-F86 WeakPolarHBondContact O-CB 3.47Å; G83-F86 PolarHBondContact O-N 2.89Å; G83-Q122 CarbonylContact C-O 3.59Å; G83-Q122 WeakPolarHBondContact CA-O 3.43Å |
| 84 | E | 91.4 | Very high | 93.8 | Very high | 146 Ų | 146 | 34.6 Ų | 34.6 | 68% | 0.682 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -55.7 | -25.2 | 177.7 | -63.9 | -156.7 | 136.2 | 0 | 0 | 114.1 | L82 F86 K87 Q122 | L82-E84 PolarHBondContact O-N 3.18Å; E84-F86 PolarHBondContact O-N 3.21Å; E84-K87 WeakPolarHBondContact O-CB 3.36Å; E84-K87 PolarHBondContact O-N 3.27Å; E84-K87 VanDerWaalsContact O-N 3.11Å; E84-Q122 PolarHBondContact N-O 3.41Å; E84-Q122 VanDerWaalsContact N-O 3.15Å |
| 85 | R | 90.9 | Very high | 93.7 | Very high | 145 Ų | 145 | 38.2 Ų | 38.2 | 55% | 0.547 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -69.5 | -18.9 | 177.9 | -58.5 | -173.8 | -60.6 | -65.6 | 5.9 | 111.8 | E43 L82 G83 K87 | E43-R85 VanDerWaalsContact CD-NH2 3.26Å; E43-R85 IonicContact OE1-CZ 3.77Å; E43-R85 IonicContact OE1-NE 2.62Å; E43-R85 IonicContact OE1-NH2 2.78Å; E43-R85 PolarHBondContact OE1-NH2 3.48Å; E43-R85 IonicContact OE2-CZ 3.27Å; E43-R85 VanDerWaalsContact OE2-CZ 3.27Å; E43-R85 IonicContact OE2-NE 2.72Å; E43-R85 PolarHBondContact OE2-NE 3.38Å; E43-R85 IonicContact OE2-NH2 3.04Å; E43-R85 PolarHBondContact OE2-NH2 3.39Å; L82-R85 HydrophobicContact CB-CB 4.49Å; L82-R85 WeakPolarHBondContact O-CB 3.29Å; L82-R85 PolarHBondContact O-N 3.25Å; L82-R85 PolarHBondContact O-NH1 3.04Å; G83-R85 PolarHBondContact O-N 3.44Å; R85-K87 PolarHBondContact O-N 3.27Å |
| 86 | F | 94.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -70.4 | -16.2 | 172.4 | -160.8 | -94.6 | 0 | 0 | 0 | 113.8 | I53 F78 V79 L82 G83 E84 G88 Y89 V93 L119 T123 | I53-F86 HydrophobicContact CD1-CD2 4.42Å; I53-F86 HydrophobicContact CD1-CE2 3.84Å; F78-F86 HydrophobicContact CB-CD2 4.33Å; F78-F86 HydrophobicContact CB-CE2 3.86Å; V79-F86 HydrophobicContact CG2-CD1 3.64Å; V79-F86 HydrophobicContact CG2-CD2 4.17Å; V79-F86 HydrophobicContact CG2-CE1 3.57Å; V79-F86 HydrophobicContact CG2-CE2 4.12Å; V79-F86 HydrophobicContact CG2-CG 3.93Å; V79-F86 HydrophobicContact CG2-CZ 3.81Å; L82-F86 HydrophobicContact CB-CB 4.18Å; L82-F86 HydrophobicContact CD1-CD2 3.98Å; G83-F86 WeakPolarHBondContact O-CB 3.47Å; G83-F86 PolarHBondContact O-N 2.89Å; E84-F86 PolarHBondContact O-N 3.21Å; F86-G88 PolarHBondContact O-N 3.02Å; F86-Y89 AromaticContact CD2-CD2 3.89Å; F86-Y89 HydrophobicContact CD2-CD2 3.89Å; F86-Y89 HydrophobicContact CE2-CD2 4.18Å; F86-Y89 HydrophobicContact CG-CD2 4.18Å; F86-Y89 WeakPolarHBondContact O-CD2 3.28Å; F86-Y89 PolarHBondContact O-N 3.5Å; F86-V93 HydrophobicContact CE1-CG2 4.26Å; F86-V93 HydrophobicContact CZ-CG2 3.99Å; F86-L119 HydrophobicContact CD1-CD2 3.77Å; F86-L119 HydrophobicContact CE1-CD2 3.82Å; F86-T123 HydrophobicContact CB-CG2 3.83Å; F86-T123 HydrophobicContact CD1-CG2 4.14Å; F86-T123 HydrophobicContact CG-CG2 4.34Å |
| 87 | K | 92.2 | Very high | 93.7 | Very high | 100 Ų | 100 | 38.1 Ų | 38.1 | 44% | 0.435 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -53.5 | -26.3 | -174.4 | -175.8 | 174.8 | 179.1 | 178 | 0 | 114.9 | E84 R85 L90 A124 | E84-K87 WeakPolarHBondContact O-CB 3.36Å; E84-K87 PolarHBondContact O-N 3.27Å; E84-K87 VanDerWaalsContact O-N 3.11Å; R85-K87 PolarHBondContact O-N 3.27Å; K87-L90 HydrophobicContact CG-CD1 4.19Å; K87-L90 WeakPolarHBondContact O-CG 3.19Å; K87-A124 HydrophobicContact CD-CB 4.47Å; K87-A124 HydrophobicContact CG-CB 4.4Å |
| 88 | G | 91.9 | Very high | 93.8 | Very high | 67 Ų | 67 | 38.3 Ų | 38.3 | 69% | 0.691 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -65.4 | -36.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | F86 L90 | F86-G88 PolarHBondContact O-N 3.02Å; G88-L90 VanDerWaalsContact C-N 3.33Å; G88-L90 PolarHBondContact O-N 2.99Å |
| 89 | Y | 93.9 | Very high | 93.8 | Very high | 20 Ų | 20 | 40.5 Ų | 40.5 | 8% | 0.078 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -6.8 | -174.4 | -53.7 | -67.5 | 0 | 0 | 0 | 114.3 | K46 L49 D50 I53 F86 G91 T92 V93 | K46-Y89 PolarHBondContact NZ-OH 3.37Å; K46-Y89 VanDerWaalsContact NZ-OH 3.07Å; L49-Y89 HydrophobicContact CD2-CE2 4.3Å; D50-Y89 HydrophobicContact CB-CE1 4.45Å; D50-Y89 WeakPolarHBondContact OD1-CE1 3.34Å; D50-Y89 VanDerWaalsContact OD1-CZ 3.24Å; D50-Y89 PolarHBondContact OD1-OH 2.79Å; I53-Y89 HydrophobicContact CB-CD1 4.33Å; I53-Y89 HydrophobicContact CD1-CD1 3.71Å; I53-Y89 HydrophobicContact CD1-CD2 3.51Å; I53-Y89 HydrophobicContact CD1-CE1 3.85Å; I53-Y89 HydrophobicContact CD1-CE2 3.67Å; I53-Y89 HydrophobicContact CD1-CG 3.54Å; I53-Y89 HydrophobicContact CG2-CD1 4.09Å; I53-Y89 HydrophobicContact CG2-CG 4.17Å; F86-Y89 AromaticContact CD2-CD2 3.89Å; F86-Y89 HydrophobicContact CD2-CD2 3.89Å; F86-Y89 HydrophobicContact CE2-CD2 4.18Å; F86-Y89 HydrophobicContact CG-CD2 4.18Å; F86-Y89 WeakPolarHBondContact O-CD2 3.28Å; F86-Y89 PolarHBondContact O-N 3.5Å; Y89-G91 PolarHBondContact O-N 2.98Å; Y89-G91 VanDerWaalsContact O-N 3.1Å; Y89-T92 PolarHBondContact O-N 3.23Å; Y89-V93 PolarHBondContact O-N 3.44Å |
| 90 | L | 94.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -53.3 | -31.3 | 174.7 | -68.7 | 175.7 | 0 | 0 | 0 | 112.7 | K87 G88 L94 L119 A124 | K87-L90 HydrophobicContact CG-CD1 4.19Å; K87-L90 WeakPolarHBondContact O-CG 3.19Å; G88-L90 VanDerWaalsContact C-N 3.33Å; G88-L90 PolarHBondContact O-N 2.99Å; L90-L94 HydrophobicContact CB-CD1 4.07Å; L90-L94 HydrophobicContact CB-CG 4.49Å; L90-L94 HydrophobicContact CD2-CD1 4.21Å; L90-L94 HydrophobicContact CD2-CG 4.3Å; L90-L94 VanDerWaalsContact O-CB 3.28Å; L90-L94 WeakPolarHBondContact O-CB 3.44Å; L90-L94 WeakPolarHBondContact O-CD1 3.3Å; L90-L94 VanDerWaalsContact O-CG 3.25Å; L90-L94 WeakPolarHBondContact O-CG 3.47Å; L90-L94 PolarHBondContact O-N 3.3Å; L90-L119 HydrophobicContact CD2-CB 4.23Å; L90-L119 HydrophobicContact CD2-CD1 3.97Å; L90-L119 HydrophobicContact CD2-CD2 3.81Å; L90-L119 HydrophobicContact CD2-CG 4.23Å; L90-A124 HydrophobicContact CD1-CB 4.12Å |
| 91 | G | 92.3 | Very high | 94 | Very high | 50 Ų | 50 | 39.1 Ų | 39.1 | 52% | 0.515 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.9 | -38.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y89 P95 | Y89-G91 PolarHBondContact O-N 2.98Å; Y89-G91 VanDerWaalsContact O-N 3.1Å; G91-P95 VanDerWaalsContact O-CD 3.25Å; G91-P95 WeakPolarHBondContact O-CD 3.38Å; G91-P95 WeakPolarHBondContact O-CG 3.43Å |
| 92 | T | 93.5 | Very high | 94.1 | Very high | 52 Ų | 52 | 37.6 Ų | 37.6 | 32% | 0.319 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -80.5 | -43 | 179.3 | -40 | 0 | 0 | 0 | 0 | 111.6 | D54 T57 Y89 | D54-T92 WeakPolarHBondContact OD1-CG2 3.3Å; T57-T92 HydrophobicContact CG2-CG2 3.72Å; Y89-T92 PolarHBondContact O-N 3.23Å |
| 93 | V | 96.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -83.5 | -41.8 | -167.4 | 173.8 | 0 | 0 | 0 | 0 | 113.2 | I53 T57 F86 Y89 A96 L97 | I53-V93 HydrophobicContact CG2-CG2 3.69Å; T57-V93 HydrophobicContact CG2-CG2 4.35Å; F86-V93 HydrophobicContact CE1-CG2 4.26Å; F86-V93 HydrophobicContact CZ-CG2 3.99Å; Y89-V93 PolarHBondContact O-N 3.44Å; V93-A96 PolarHBondContact O-N 3.34Å; V93-A96 VanDerWaalsContact O-N 3.13Å; V93-L97 HydrophobicContact CG1-CD1 3.8Å; V93-L97 HydrophobicContact CG1-CG 4.1Å; V93-L97 PolarHBondContact O-N 2.92Å; V93-L97 VanDerWaalsContact O-N 3.14Å |
| 94 | L | 95.7 | Very high | 94.3 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.7 | -39.6 | -176.9 | -68.9 | 172.9 | 0 | 0 | 0 | 113.6 | L90 A96 L97 V98 I116 L119 V129 R132 L133 | L90-L94 HydrophobicContact CB-CD1 4.07Å; L90-L94 HydrophobicContact CB-CG 4.49Å; L90-L94 HydrophobicContact CD2-CD1 4.21Å; L90-L94 HydrophobicContact CD2-CG 4.3Å; L90-L94 VanDerWaalsContact O-CB 3.28Å; L90-L94 WeakPolarHBondContact O-CB 3.44Å; L90-L94 WeakPolarHBondContact O-CD1 3.3Å; L90-L94 VanDerWaalsContact O-CG 3.25Å; L90-L94 WeakPolarHBondContact O-CG 3.47Å; L90-L94 PolarHBondContact O-N 3.3Å; L94-A96 PolarHBondContact O-N 3.22Å; L94-L97 PolarHBondContact O-N 3.4Å; L94-V98 WeakPolarHBondContact O-CB 3.48Å; L94-V98 VanDerWaalsContact O-CG2 3.3Å; L94-V98 WeakPolarHBondContact O-CG2 3.42Å; L94-V98 PolarHBondContact O-N 3.4Å; L94-I116 HydrophobicContact CD2-CG1 4.33Å; L94-L119 HydrophobicContact CD2-CD1 3.55Å; L94-L119 HydrophobicContact CG-CD1 4.4Å; L94-V129 HydrophobicContact CD1-CG1 4.01Å; L94-V129 HydrophobicContact CD2-CG1 4Å; L94-R132 HydrophobicContact CD1-CB 3.67Å; L94-R132 HydrophobicContact CD1-CG 4.43Å; L94-L133 HydrophobicContact CD2-CD2 4.34Å |
| 95 | P | 95 | Very high | 94.4 | Very high | 75 Ų | 75 | 38.6 Ų | 38.6 | 49% | 0.487 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58 | -42.9 | 173.7 | -27.1 | 36.1 | 0 | 0 | 0 | 113.8 | G91 L97 V98 D99 | G91-P95 VanDerWaalsContact O-CD 3.25Å; G91-P95 WeakPolarHBondContact O-CD 3.38Å; G91-P95 WeakPolarHBondContact O-CG 3.43Å; P95-L97 VanDerWaalsContact C-N 3.35Å; P95-L97 PolarHBondContact O-N 3.36Å; P95-V98 PolarHBondContact O-N 3.38Å; P95-D99 PolarHBondContact O-N 3.41Å |
| 96 | A | 96.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 3% | 0.033 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.3 | -37.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | T57 I60 V93 L94 D99 R100 | T57-A96 HydrophobicContact CG2-CB 4.42Å; I60-A96 HydrophobicContact CB-CB 4.36Å; I60-A96 HydrophobicContact CG2-CB 3.88Å; V93-A96 PolarHBondContact O-N 3.34Å; V93-A96 VanDerWaalsContact O-N 3.13Å; L94-A96 PolarHBondContact O-N 3.22Å; A96-D99 PolarHBondContact O-N 3.21Å; A96-R100 PolarHBondContact O-N 3.47Å; A96-R100 VanDerWaalsContact O-N 3.09Å |
| 97 | L | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.1 | -38 | 173.6 | -61.4 | 179.1 | 0 | 0 | 0 | 112 | I60 I72 V93 L94 P95 D99 R100 L101 S112 L115 I116 L119 | I60-L97 HydrophobicContact CD1-CD2 4.26Å; I60-L97 HydrophobicContact CG2-CD2 4.02Å; I72-L97 HydrophobicContact CG1-CD2 4.07Å; V93-L97 HydrophobicContact CG1-CD1 3.8Å; V93-L97 HydrophobicContact CG1-CG 4.1Å; V93-L97 PolarHBondContact O-N 2.92Å; V93-L97 VanDerWaalsContact O-N 3.14Å; L94-L97 PolarHBondContact O-N 3.4Å; P95-L97 VanDerWaalsContact C-N 3.35Å; P95-L97 PolarHBondContact O-N 3.36Å; L97-D99 PolarHBondContact O-N 3.32Å; L97-R100 CarbonylContact O-C 3.53Å; L97-R100 WeakPolarHBondContact O-CA 3.44Å; L97-R100 PolarHBondContact O-N 3.48Å; L97-R100 VanDerWaalsContact O-N 3.08Å; L97-L101 PolarHBondContact O-N 2.93Å; L97-S112 VanDerWaalsContact CA-OG 3.32Å; L97-S112 WeakPolarHBondContact CA-OG 3.49Å; L97-S112 WeakPolarHBondContact CB-OG 3.32Å; L97-S112 PolarHBondContact O-OG 2.8Å; L97-L115 HydrophobicContact CD1-CB 4.3Å; L97-L115 HydrophobicContact CD1-CD2 3.84Å; L97-L115 HydrophobicContact CD1-CG 3.91Å; L97-L115 HydrophobicContact CD2-CD2 3.97Å; L97-I116 HydrophobicContact CB-CD1 3.83Å; L97-I116 HydrophobicContact CB-CG1 3.86Å; L97-I116 HydrophobicContact CD1-CG1 3.87Å; L97-L119 HydrophobicContact CD1-CD1 4Å |
| 98 | V | 96.8 | Very high | 94.7 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 5% | 0.048 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.8 | -35.4 | 174.3 | 165.9 | 0 | 0 | 0 | 0 | 112.8 | L94 P95 L133 S136 S144 | L94-V98 WeakPolarHBondContact O-CB 3.48Å; L94-V98 VanDerWaalsContact O-CG2 3.3Å; L94-V98 WeakPolarHBondContact O-CG2 3.42Å; L94-V98 PolarHBondContact O-N 3.4Å; P95-V98 PolarHBondContact O-N 3.38Å; V98-L133 HydrophobicContact CG2-CD2 3.61Å; V98-S136 WeakPolarHBondContact CG1-OG 3.48Å; V98-S136 WeakPolarHBondContact CG2-OG 3.37Å; V98-S144 WeakPolarHBondContact O-CB 3.25Å; V98-S144 PolarHBondContact O-OG 3.21Å |
| 99 | D | 95.6 | Very high | 94.8 | Very high | 47 Ų | 47 | 34.9 Ų | 34.9 | 25% | 0.251 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.9 | -43.9 | 168.1 | -90.4 | -35.8 | 0 | 0 | 0 | 110.8 | N61 P95 A96 L97 L101 G102 H139 | N61-D99 PolarHBondContact ND2-OD2 2.91Å; N61-D99 VanDerWaalsContact OD1-CB 3.28Å; N61-D99 WeakPolarHBondContact OD1-CB 3.46Å; P95-D99 PolarHBondContact O-N 3.41Å; A96-D99 PolarHBondContact O-N 3.21Å; L97-D99 PolarHBondContact O-N 3.32Å; D99-L101 PolarHBondContact O-N 3.3Å; D99-G102 WeakPolarHBondContact O-CA 3.35Å; D99-G102 PolarHBondContact O-N 3.26Å; D99-H139 IonicContact OD1-CE1 3.53Å; D99-H139 PolarHBondContact OD1-CE1 3.46Å; D99-H139 VanDerWaalsContact OD1-CE1 3.23Å; D99-H139 IonicContact OD1-NE2 3.43Å |
| 100 | R | 96 | Very high | 94.9 | Very high | 42 Ų | 42 | 38.9 Ų | 38.9 | 16% | 0.158 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.8 | -24.3 | 177.7 | -71.2 | -46.9 | 98.7 | 173.3 | 16 | 115 | I60 N61 I72 A96 L97 G102 D103 V108 | I60-R100 HydrophobicContact CG2-CG 3.69Å; I60-R100 WeakPolarHBondContact O-CD 3.39Å; I60-R100 WeakPolarHBondContact O-CG 3.24Å; N61-R100 VanDerWaalsContact OD1-CZ 3.24Å; N61-R100 PolarHBondContact OD1-NE 3.13Å; N61-R100 PolarHBondContact OD1-NH2 3.4Å; I72-R100 HydrophobicContact CD1-CG 4.37Å; A96-R100 PolarHBondContact O-N 3.47Å; A96-R100 VanDerWaalsContact O-N 3.09Å; L97-R100 CarbonylContact O-C 3.53Å; L97-R100 WeakPolarHBondContact O-CA 3.44Å; L97-R100 PolarHBondContact O-N 3.48Å; L97-R100 VanDerWaalsContact O-N 3.08Å; R100-G102 PolarHBondContact O-N 3.22Å; R100-G102 VanDerWaalsContact O-N 3.08Å; R100-D103 IonicContact CZ-OD2 2.81Å; R100-D103 IonicContact NH1-OD2 3.89Å; R100-D103 PolarHBondContact NH1-OD2 3.39Å; R100-D103 VanDerWaalsContact O-CB 3.32Å; R100-D103 WeakPolarHBondContact O-CB 3.45Å; R100-D103 PolarHBondContact O-N 3.2Å; R100-D103 VanDerWaalsContact O-N 3.12Å; R100-V108 HydrophobicContact CB-CG1 4.03Å; R100-V108 HydrophobicContact CG-CG1 4.04Å |
| 101 | L | 96.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -16.4 | 164.7 | -68.9 | -178.8 | 0 | 0 | 0 | 112.2 | L97 D99 R109 Q113 I116 I148 C151 | L97-L101 PolarHBondContact O-N 2.93Å; D99-L101 PolarHBondContact O-N 3.3Å; L101-R109 VanDerWaalsContact O-CD 3.26Å; L101-R109 WeakPolarHBondContact O-CD 3.35Å; L101-Q113 HydrophobicContact CD2-CB 3.83Å; L101-I116 HydrophobicContact CD1-CD1 3.79Å; L101-I116 HydrophobicContact CD2-CD1 4.27Å; L101-I116 HydrophobicContact CG-CD1 4.04Å; L101-I148 HydrophobicContact CD1-CD1 4.01Å; L101-C151 HydrophobicContact CD1-CB 4.49Å |
| 102 | G | 93.8 | Very high | 95.2 | Very high | 7 Ų | 7 | 38.7 Ų | 38.7 | 7% | 0.072 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 5.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | D99 R100 N141 | D99-G102 WeakPolarHBondContact O-CA 3.35Å; D99-G102 PolarHBondContact O-N 3.26Å; R100-G102 PolarHBondContact O-N 3.22Å; R100-G102 VanDerWaalsContact O-N 3.08Å; G102-N141 WeakPolarHBondContact CA-ND2 3.22Å; G102-N141 PolarHBondContact O-ND2 2.93Å; G102-N141 VanDerWaalsContact O-ND2 3.09Å |
| 103 | D | 95.9 | Very high | 95.4 | Very high | 23 Ų | 23 | 38.4 Ų | 38.4 | 12% | 0.123 | 20% | 0.204 | C | C | . | . | trans | -67.8 | 158.9 | -165.7 | -159 | -80.6 | 0 | 0 | 0 | 115.5 | R100 K105 V108 R109 R143 | R100-D103 IonicContact CZ-OD2 2.81Å; R100-D103 IonicContact NH1-OD2 3.89Å; R100-D103 PolarHBondContact NH1-OD2 3.39Å; R100-D103 VanDerWaalsContact O-CB 3.32Å; R100-D103 WeakPolarHBondContact O-CB 3.45Å; R100-D103 PolarHBondContact O-N 3.2Å; R100-D103 VanDerWaalsContact O-N 3.12Å; D103-K105 VanDerWaalsContact C-N 3.32Å; D103-K105 PolarHBondContact OD1-N 3.23Å; D103-V108 HydrophobicContact CB-CB 3.9Å; D103-V108 HydrophobicContact CB-CG1 3.7Å; D103-R109 HydrophobicContact CB-CG 3.98Å; D103-R109 WeakPolarHBondContact O-CD 3.23Å; D103-R109 PolarHBondContact O-NH1 3.36Å; D103-R109 VanDerWaalsContact O-NH1 3.1Å; D103-R143 PolarHBondContact O-NH1 3.18Å | ||
| 104 | G | 90.9 | Very high | 95.4 | Very high | 56 Ų | 56 | 40.7 Ų | 40.7 | 58% | 0.577 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -70.3 | -21.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 105 | K | 92.9 | Very high | 95.4 | Very high | 107 Ų | 107 | 40.7 Ų | 40.7 | 47% | 0.465 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -105.5 | 125.9 | 179.2 | -64.8 | -61.5 | -172.2 | 179 | 0 | 111.2 | F65 D103 Q107 V108 R109 | F65-K105 HydrophobicContact CB-CG 4.12Å; F65-K105 HydrophobicContact CD2-CG 4.43Å; F65-K105 HydrophobicContact CG-CG 4.25Å; D103-K105 VanDerWaalsContact C-N 3.32Å; D103-K105 PolarHBondContact OD1-N 3.23Å; K105-Q107 VanDerWaalsContact C-N 3.34Å; K105-Q107 PolarHBondContact O-N 2.84Å; K105-V108 HydrophobicContact CB-CB 4.22Å; K105-V108 HydrophobicContact CB-CG2 3.82Å; K105-V108 PolarHBondContact O-N 2.84Å; K105-R109 PolarHBondContact O-N 3.23Å |
| 106 | D | 92.9 | Very high | 95.6 | Very high | 67 Ų | 67 | 37.1 Ų | 37.1 | 36% | 0.358 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -54.1 | -49.8 | 179.3 | -66.5 | 12.9 | 0 | 0 | 0 | 111.3 | V108 R109 E110 K288 | D106-V108 VanDerWaalsContact C-N 3.26Å; D106-V108 PolarHBondContact O-N 3.39Å; D106-V108 VanDerWaalsContact O-N 3.16Å; D106-R109 WeakPolarHBondContact O-CB 3.46Å; D106-R109 PolarHBondContact O-N 2.87Å; D106-R109 IonicContact OD1-CZ 2.87Å; D106-R109 VanDerWaalsContact OD1-CZ 3.24Å; D106-R109 IonicContact OD1-NH1 2.65Å; D106-R109 PolarHBondContact OD1-NH1 2.85Å; D106-R109 IonicContact OD1-NH2 2.73Å; D106-R109 PolarHBondContact OD1-NH2 3.46Å; D106-R109 IonicContact OD2-NH2 2.91Å; D106-E110 WeakPolarHBondContact O-CB 3.44Å; D106-E110 WeakPolarHBondContact O-CG 3.45Å; D106-E110 PolarHBondContact O-N 3.06Å; D106-K288 IonicContact OD2-NZ 3.25Å |
| 107 | Q | 93.9 | Very high | 95.6 | Very high | 105 Ų | 105 | 38.2 Ų | 38.2 | 49% | 0.491 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -53.8 | -34.8 | 176.1 | -167.5 | -176.8 | 4.3 | 0 | 0 | 114.2 | L69 K105 N111 | L69-Q107 HydrophobicContact CD1-CG 4.18Å; L69-Q107 HydrophobicContact CD2-CG 4Å; K105-Q107 VanDerWaalsContact C-N 3.34Å; K105-Q107 PolarHBondContact O-N 2.84Å; Q107-N111 WeakPolarHBondContact O-CB 3.39Å; Q107-N111 PolarHBondContact O-N 3.46Å; Q107-N111 PolarHBondContact O-OD1 3.37Å |
| 108 | V | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -73.8 | -37.7 | 178.7 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | F65 L69 I72 R100 D103 K105 D106 S112 | F65-V108 HydrophobicContact CB-CG2 4.19Å; L69-V108 HydrophobicContact CD2-CB 4.49Å; L69-V108 HydrophobicContact CD2-CG2 3.94Å; L69-V108 HydrophobicContact CG-CG2 3.96Å; I72-V108 HydrophobicContact CD1-CG1 4.36Å; R100-V108 HydrophobicContact CB-CG1 4.03Å; R100-V108 HydrophobicContact CG-CG1 4.04Å; D103-V108 HydrophobicContact CB-CB 3.9Å; D103-V108 HydrophobicContact CB-CG1 3.7Å; K105-V108 HydrophobicContact CB-CB 4.22Å; K105-V108 HydrophobicContact CB-CG2 3.82Å; K105-V108 PolarHBondContact O-N 2.84Å; D106-V108 VanDerWaalsContact C-N 3.26Å; D106-V108 PolarHBondContact O-N 3.39Å; D106-V108 VanDerWaalsContact O-N 3.16Å; V108-S112 WeakPolarHBondContact O-CB 3.43Å; V108-S112 PolarHBondContact O-N 3.2Å; V108-S112 VanDerWaalsContact O-N 3.1Å |
| 109 | R | 95.5 | Very high | 95.4 | Very high | 62 Ų | 62 | 42.3 Ų | 42.3 | 23% | 0.234 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.8 | -41.1 | 173.7 | -55.3 | -165.5 | -57.7 | -79.3 | -2.4 | 111 | L101 D103 K105 D106 Q113 | L101-R109 VanDerWaalsContact O-CD 3.26Å; L101-R109 WeakPolarHBondContact O-CD 3.35Å; D103-R109 HydrophobicContact CB-CG 3.98Å; D103-R109 WeakPolarHBondContact O-CD 3.23Å; D103-R109 PolarHBondContact O-NH1 3.36Å; D103-R109 VanDerWaalsContact O-NH1 3.1Å; K105-R109 PolarHBondContact O-N 3.23Å; D106-R109 WeakPolarHBondContact O-CB 3.46Å; D106-R109 PolarHBondContact O-N 2.87Å; D106-R109 IonicContact OD1-CZ 2.87Å; D106-R109 VanDerWaalsContact OD1-CZ 3.24Å; D106-R109 IonicContact OD1-NH1 2.65Å; D106-R109 PolarHBondContact OD1-NH1 2.85Å; D106-R109 IonicContact OD1-NH2 2.73Å; D106-R109 PolarHBondContact OD1-NH2 3.46Å; D106-R109 IonicContact OD2-NH2 2.91Å; R109-Q113 WeakPolarHBondContact O-CB 3.35Å; R109-Q113 PolarHBondContact O-N 3.24Å |
| 110 | E | 95 | Very high | 95.3 | Very high | 105 Ų | 105 | 40.3 Ų | 40.3 | 49% | 0.491 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.8 | -52.5 | -179.9 | -71.4 | 161.8 | -172.1 | 0 | 0 | 111.9 | D106 S112 Q113 A114 | D106-E110 WeakPolarHBondContact O-CB 3.44Å; D106-E110 WeakPolarHBondContact O-CG 3.45Å; D106-E110 PolarHBondContact O-N 3.06Å; E110-S112 VanDerWaalsContact C-N 3.3Å; E110-S112 PolarHBondContact O-N 2.99Å; E110-Q113 PolarHBondContact O-N 2.8Å; E110-A114 WeakPolarHBondContact O-CB 3.48Å; E110-A114 PolarHBondContact O-N 3.29Å |
| 111 | N | 95.8 | Very high | 95 | Very high | 45 Ų | 45 | 44.5 Ų | 44.5 | 24% | 0.241 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.6 | -39.7 | 174.1 | -79.6 | 47 | 0 | 0 | 0 | 111.7 | L69 I72 D73 Q107 A114 L115 | L69-N111 HydrophobicContact CD2-CB 3.97Å; I72-N111 HydrophobicContact CD1-CB 4.44Å; I72-N111 HydrophobicContact CG2-CB 4.1Å; D73-N111 PolarHBondContact OD1-ND2 2.96Å; Q107-N111 WeakPolarHBondContact O-CB 3.39Å; Q107-N111 PolarHBondContact O-N 3.46Å; Q107-N111 PolarHBondContact O-OD1 3.37Å; N111-A114 PolarHBondContact O-N 3.11Å; N111-L115 PolarHBondContact O-N 2.71Å |
| 112 | S | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.5 | -42.7 | 177.4 | -173.1 | 0 | 0 | 0 | 0 | 112.5 | L97 V108 E110 L115 I116 | L97-S112 VanDerWaalsContact CA-OG 3.32Å; L97-S112 WeakPolarHBondContact CA-OG 3.49Å; L97-S112 WeakPolarHBondContact CB-OG 3.32Å; L97-S112 PolarHBondContact O-OG 2.8Å; V108-S112 WeakPolarHBondContact O-CB 3.43Å; V108-S112 PolarHBondContact O-N 3.2Å; V108-S112 VanDerWaalsContact O-N 3.1Å; E110-S112 VanDerWaalsContact C-N 3.3Å; E110-S112 PolarHBondContact O-N 2.99Å; S112-L115 PolarHBondContact O-N 2.89Å; S112-I116 WeakPolarHBondContact O-CG1 3.47Å; S112-I116 PolarHBondContact O-N 2.88Å |
| 113 | Q | 96.8 | Very high | 94.5 | Very high | 47 Ų | 47 | 47.8 Ų | 47.8 | 22% | 0.22 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64 | -42.9 | 174.5 | -175.2 | -179 | 71.5 | 0 | 0 | 111.4 | L101 R109 E110 L115 I116 L117 L150 C151 | L101-Q113 HydrophobicContact CD2-CB 3.83Å; R109-Q113 WeakPolarHBondContact O-CB 3.35Å; R109-Q113 PolarHBondContact O-N 3.24Å; E110-Q113 PolarHBondContact O-N 2.8Å; Q113-L115 PolarHBondContact O-N 3.35Å; Q113-I116 PolarHBondContact O-N 3.03Å; Q113-L117 HydrophobicContact CG-CD1 4.44Å; Q113-L117 WeakPolarHBondContact O-CG 3.41Å; Q113-L117 PolarHBondContact O-N 2.84Å; Q113-L150 VanDerWaalsContact NE2-C 3.3Å; Q113-L150 PolarHBondContact NE2-O 3.39Å; Q113-C151 HydrophobicContact CG-CB 4.39Å |
| 114 | A | 96.7 | Very high | 94.3 | Very high | 48 Ų | 48 | 47.2 Ų | 47.2 | 40% | 0.397 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62 | -40.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E110 N111 L117 R118 | E110-A114 WeakPolarHBondContact O-CB 3.48Å; E110-A114 PolarHBondContact O-N 3.29Å; N111-A114 PolarHBondContact O-N 3.11Å; A114-L117 PolarHBondContact O-N 3.23Å; A114-R118 PolarHBondContact O-N 2.72Å |
| 115 | L | 97.2 | Very high | 94.3 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.9 | -39.1 | 174.5 | -176.5 | 57.2 | 0 | 0 | 0 | 112.1 | I72 C75 V79 L97 N111 S112 Q113 L117 R118 L119 | I72-L115 HydrophobicContact CG2-CB 4.07Å; I72-L115 HydrophobicContact CG2-CD2 3.84Å; C75-L115 HydrophobicContact CB-CD2 3.95Å; V79-L115 HydrophobicContact CB-CD1 4.5Å; V79-L115 HydrophobicContact CG2-CD1 4.21Å; L97-L115 HydrophobicContact CD1-CB 4.3Å; L97-L115 HydrophobicContact CD1-CD2 3.84Å; L97-L115 HydrophobicContact CD1-CG 3.91Å; L97-L115 HydrophobicContact CD2-CD2 3.97Å; N111-L115 PolarHBondContact O-N 2.71Å; S112-L115 PolarHBondContact O-N 2.89Å; Q113-L115 PolarHBondContact O-N 3.35Å; L115-L117 VanDerWaalsContact C-N 3.26Å; L115-L117 PolarHBondContact O-N 3.09Å; L115-R118 PolarHBondContact O-N 3.48Å; L115-L119 WeakPolarHBondContact O-CG 3.35Å; L115-L119 PolarHBondContact O-N 3.22Å |
| 116 | I | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.1 | -38.7 | 173 | -70.6 | 168.2 | 0 | 0 | 0 | 111.3 | L94 L97 L101 S112 Q113 M120 L133 C151 | L94-I116 HydrophobicContact CD2-CG1 4.33Å; L97-I116 HydrophobicContact CB-CD1 3.83Å; L97-I116 HydrophobicContact CB-CG1 3.86Å; L97-I116 HydrophobicContact CD1-CG1 3.87Å; L101-I116 HydrophobicContact CD1-CD1 3.79Å; L101-I116 HydrophobicContact CD2-CD1 4.27Å; L101-I116 HydrophobicContact CG-CD1 4.04Å; S112-I116 WeakPolarHBondContact O-CG1 3.47Å; S112-I116 PolarHBondContact O-N 2.88Å; Q113-I116 PolarHBondContact O-N 3.03Å; I116-M120 HydrophobicContact CG2-CE 3.72Å; I116-M120 WeakPolarHBondContact O-CG 3.47Å; I116-L133 HydrophobicContact CG2-CD1 3.81Å; I116-C151 VanDerWaalsContact CG2-SG 3.59Å |
| 117 | L | 95.9 | Very high | 94.2 | Very high | 27 Ų | 27 | 41.5 Ų | 41.5 | 14% | 0.141 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.6 | -38.2 | 175 | -67 | 169.4 | 0 | 0 | 0 | 112.5 | Q113 A114 L115 L119 M120 E121 A154 Y159 | Q113-L117 HydrophobicContact CG-CD1 4.44Å; Q113-L117 WeakPolarHBondContact O-CG 3.41Å; Q113-L117 PolarHBondContact O-N 2.84Å; A114-L117 PolarHBondContact O-N 3.23Å; L115-L117 VanDerWaalsContact C-N 3.26Å; L115-L117 PolarHBondContact O-N 3.09Å; L117-L119 VanDerWaalsContact C-N 3.34Å; L117-M120 HydrophobicContact CD2-SD 4.39Å; L117-M120 WeakPolarHBondContact O-CB 3.26Å; L117-M120 PolarHBondContact O-N 2.94Å; L117-M120 VanDerWaalsContact O-N 3.11Å; L117-E121 PolarHBondContact O-N 3.13Å; L117-A154 HydrophobicContact CD1-CB 3.92Å; L117-A154 HydrophobicContact CD2-CB 4.49Å; L117-Y159 HydrophobicContact CD2-CE2 4.25Å; L117-Y159 PolarHBondContact O-OH 2.95Å |
| 118 | R | 94.7 | Very high | 94.2 | Very high | 94 Ų | 94 | 38.2 Ų | 38.2 | 36% | 0.355 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.5 | -34.1 | 175.7 | -158.8 | -176.2 | -50.4 | 170.6 | 2 | 112.5 | V79 D80 A114 L115 M120 E121 Q122 | V79-R118 HydrophobicContact CG1-CG 4.5Å; D80-R118 WeakPolarHBondContact OD1-CD 3.35Å; D80-R118 IonicContact OD1-NH1 3.5Å; D80-R118 IonicContact OD2-CZ 2.89Å; D80-R118 IonicContact OD2-NH1 2.92Å; D80-R118 PolarHBondContact OD2-NH1 2.98Å; A114-R118 PolarHBondContact O-N 2.72Å; L115-R118 PolarHBondContact O-N 3.48Å; R118-M120 PolarHBondContact O-N 2.68Å; R118-E121 WeakPolarHBondContact O-CB 3.17Å; R118-E121 PolarHBondContact O-N 3.1Å; R118-Q122 HydrophobicContact CG-CG 3.92Å; R118-Q122 PolarHBondContact O-N 3.35Å |
| 119 | L | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.1 | -33.2 | 171.1 | -72.7 | 172.7 | 0 | 0 | 0 | 112.3 | V79 F86 L90 L94 L97 L115 L117 E121 T123 A124 | V79-L119 HydrophobicContact CB-CD2 4.41Å; V79-L119 HydrophobicContact CG1-CD2 4.16Å; V79-L119 HydrophobicContact CG2-CD2 3.33Å; V79-L119 HydrophobicContact CG2-CG 4.36Å; F86-L119 HydrophobicContact CD1-CD2 3.77Å; F86-L119 HydrophobicContact CE1-CD2 3.82Å; L90-L119 HydrophobicContact CD2-CB 4.23Å; L90-L119 HydrophobicContact CD2-CD1 3.97Å; L90-L119 HydrophobicContact CD2-CD2 3.81Å; L90-L119 HydrophobicContact CD2-CG 4.23Å; L94-L119 HydrophobicContact CD2-CD1 3.55Å; L94-L119 HydrophobicContact CG-CD1 4.4Å; L97-L119 HydrophobicContact CD1-CD1 4Å; L115-L119 WeakPolarHBondContact O-CG 3.35Å; L115-L119 PolarHBondContact O-N 3.22Å; L117-L119 VanDerWaalsContact C-N 3.34Å; L119-E121 VanDerWaalsContact C-N 3.3Å; L119-T123 HydrophobicContact CD2-CG2 3.69Å; L119-T123 PolarHBondContact O-N 3.02Å; L119-T123 PolarHBondContact O-OG1 3.36Å; L119-A124 PolarHBondContact O-N 3.08Å |
| 120 | M | 94.6 | Very high | 94 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -76 | -16 | 176.2 | -61.1 | 177.7 | -165.8 | 0 | 0 | 114 | I116 L117 R118 A124 P126 V129 W130 L133 T155 Y159 | I116-M120 HydrophobicContact CG2-CE 3.72Å; I116-M120 WeakPolarHBondContact O-CG 3.47Å; L117-M120 HydrophobicContact CD2-SD 4.39Å; L117-M120 WeakPolarHBondContact O-CB 3.26Å; L117-M120 PolarHBondContact O-N 2.94Å; L117-M120 VanDerWaalsContact O-N 3.11Å; R118-M120 PolarHBondContact O-N 2.68Å; M120-A124 CarbonylContact C-O 3.47Å; M120-A124 VanDerWaalsContact CA-O 3.28Å; M120-A124 WeakPolarHBondContact CA-O 3.27Å; M120-A124 VanDerWaalsContact O-O 3.14Å; M120-P126 HydrophobicContact CB-CB 4.38Å; M120-P126 HydrophobicContact CB-CG 4.16Å; M120-P126 HydrophobicContact CG-CB 4.46Å; M120-P126 HydrophobicContact SD-CB 4.16Å; M120-V129 HydrophobicContact CE-CB 4.01Å; M120-V129 HydrophobicContact CE-CG1 3.62Å; M120-V129 HydrophobicContact CG-CB 3.75Å; M120-V129 HydrophobicContact CG-CG1 3.98Å; M120-V129 HydrophobicContact CG-CG2 3.72Å; M120-W130 HydrophobicContact CE-CZ2 4.44Å; M120-W130 VanDerWaalsContact CE-NE1 3.26Å; M120-L133 HydrophobicContact CE-CD1 3.81Å; M120-T155 HydrophobicContact SD-CG2 3.68Å; M120-Y159 HydrophobicContact CB-CE2 3.86Å; M120-Y159 HydrophobicContact SD-CE2 4.24Å |
| 121 | E | 90.1 | Very high | 93.9 | Very high | 129 Ų | 129 | 34.7 Ų | 34.7 | 60% | 0.603 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -93.2 | -52.9 | 178.2 | -165.1 | -178 | -145.3 | 0 | 0 | 110.6 | L117 R118 L119 Y159 | L117-E121 PolarHBondContact O-N 3.13Å; R118-E121 WeakPolarHBondContact O-CB 3.17Å; R118-E121 PolarHBondContact O-N 3.1Å; L119-E121 VanDerWaalsContact C-N 3.3Å; E121-Y159 WeakPolarHBondContact CB-OH 3.35Å; E121-Y159 PolarHBondContact N-OH 2.93Å |
| 122 | Q | 88.8 | Confident | 93.8 | Very high | 78 Ų | 78 | 37.6 Ų | 37.6 | 36% | 0.364 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -96.8 | -20.6 | -166.1 | -54.2 | -58.4 | -26.5 | 0 | 0 | 114.5 | V79 G83 E84 R118 | V79-Q122 HydrophobicContact CG1-CB 4.03Å; V79-Q122 HydrophobicContact CG1-CG 4.5Å; G83-Q122 CarbonylContact C-O 3.59Å; G83-Q122 WeakPolarHBondContact CA-O 3.43Å; E84-Q122 PolarHBondContact N-O 3.41Å; E84-Q122 VanDerWaalsContact N-O 3.15Å; R118-Q122 HydrophobicContact CG-CG 3.92Å; R118-Q122 PolarHBondContact O-N 3.35Å |
| 123 | T | 90.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | -33.5 | -168.3 | 80.4 | 0 | 0 | 0 | 0 | 115.4 | V79 F86 L119 | V79-T123 HydrophobicContact CB-CG2 4.47Å; V79-T123 HydrophobicContact CG1-CG2 3.7Å; V79-T123 HydrophobicContact CG2-CG2 4.34Å; F86-T123 HydrophobicContact CB-CG2 3.83Å; F86-T123 HydrophobicContact CD1-CG2 4.14Å; F86-T123 HydrophobicContact CG-CG2 4.34Å; L119-T123 HydrophobicContact CD2-CG2 3.69Å; L119-T123 PolarHBondContact O-N 3.02Å; L119-T123 PolarHBondContact O-OG1 3.36Å |
| 124 | A | 91.6 | Very high | 93.5 | Very high | 10 Ų | 10 | 36.8 Ų | 36.8 | 8% | 0.083 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -166.8 | 149.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K87 L90 L119 M120 N128 V129 | K87-A124 HydrophobicContact CD-CB 4.47Å; K87-A124 HydrophobicContact CG-CB 4.4Å; L90-A124 HydrophobicContact CD1-CB 4.12Å; L119-A124 PolarHBondContact O-N 3.08Å; M120-A124 CarbonylContact C-O 3.47Å; M120-A124 VanDerWaalsContact CA-O 3.28Å; M120-A124 WeakPolarHBondContact CA-O 3.27Å; M120-A124 VanDerWaalsContact O-O 3.14Å; A124-N128 HydrophobicContact CB-CB 4.25Å; A124-N128 WeakPolarHBondContact CB-ND2 3.42Å; A124-V129 HydrophobicContact CB-CG2 4.4Å |
| 125 | S | 91.5 | Very high | 93.3 | Very high | 77 Ų | 77 | 38.8 Ų | 38.8 | 54% | 0.538 | 20% | 0.196 | S | C | . | . | trans | -47.5 | 143.9 | 174.7 | 62.2 | 0 | 0 | 0 | 0 | 113.5 | M127 N128 V129 | S125-M127 VanDerWaalsContact C-N 3.3Å; S125-M127 PolarHBondContact O-N 3.25Å; S125-M127 VanDerWaalsContact O-N 3.08Å; S125-N128 PolarHBondContact O-N 3.37Å; S125-V129 PolarHBondContact O-N 2.93Å | ||
| 126 | P | 91.9 | Very high | 93.2 | Very high | 12 Ų | 12 | 39.2 Ų | 39.2 | 8% | 0.078 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -46.5 | -44.8 | -177.1 | -31.2 | 33.4 | 0 | 0 | 0 | 115.1 | M120 N128 V129 W130 T155 Y159 P163 L164 | M120-P126 HydrophobicContact CB-CB 4.38Å; M120-P126 HydrophobicContact CB-CG 4.16Å; M120-P126 HydrophobicContact CG-CB 4.46Å; M120-P126 HydrophobicContact SD-CB 4.16Å; P126-N128 PolarHBondContact O-N 3.41Å; P126-V129 PolarHBondContact O-N 2.77Å; P126-W130 PolarHBondContact O-N 2.78Å; P126-T155 HydrophobicContact CB-CG2 4.39Å; P126-Y159 HydrophobicContact CG-CD1 3.97Å; P126-Y159 HydrophobicContact CG-CD2 4.16Å; P126-Y159 HydrophobicContact CG-CE1 4.28Å; P126-Y159 HydrophobicContact CG-CE2 4.45Å; P126-Y159 HydrophobicContact CG-CG 3.91Å; P126-P163 HydrophobicContact CB-CB 4.37Å; P126-P163 HydrophobicContact CG-CB 4.05Å; P126-P163 HydrophobicContact CG-CG 4.16Å; P126-L164 HydrophobicContact CB-CD2 3.8Å |
| 127 | M | 91.7 | Very high | 93 | Very high | 22 Ų | 22 | 39.4 Ų | 39.4 | 11% | 0.108 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.4 | -39.4 | 179.4 | -165.1 | 65.6 | -135.6 | 0 | 0 | 113.6 | S125 V129 W130 E131 S165 K168 | S125-M127 VanDerWaalsContact C-N 3.3Å; S125-M127 PolarHBondContact O-N 3.25Å; S125-M127 VanDerWaalsContact O-N 3.08Å; M127-V129 VanDerWaalsContact C-N 3.26Å; M127-V129 PolarHBondContact O-N 3.3Å; M127-W130 HydrophobicContact CE-CB 4.25Å; M127-W130 CarbonylContact O-C 3.27Å; M127-W130 PolarHBondContact O-N 3.1Å; M127-W130 VanDerWaalsContact O-N 3.09Å; M127-E131 HydrophobicContact CE-CG 3.49Å; M127-E131 VanDerWaalsContact CE-CG 3.49Å; M127-E131 HydrophobicContact CG-CG 4.45Å; M127-E131 WeakPolarHBondContact O-CG 3.43Å; M127-E131 PolarHBondContact O-N 3.1Å; M127-S165 VanDerWaalsContact SD-CB 3.57Å; M127-S165 PolarHBondContact SD-N 3.41Å; M127-K168 HydrophobicContact CE-CD 3.92Å |
| 128 | N | 92.3 | Very high | 93 | Very high | 36 Ų | 36 | 46.4 Ų | 46.4 | 19% | 0.193 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.8 | -28.6 | 179.7 | 176.5 | 73.2 | 0 | 0 | 0 | 112.2 | A124 S125 P126 R132 | A124-N128 HydrophobicContact CB-CB 4.25Å; A124-N128 WeakPolarHBondContact CB-ND2 3.42Å; S125-N128 PolarHBondContact O-N 3.37Å; P126-N128 PolarHBondContact O-N 3.41Å; N128-R132 PolarHBondContact ND2-NH1 3.19Å; N128-R132 PolarHBondContact O-NH1 3.15Å; N128-R132 PolarHBondContact OD1-NH1 3.14Å |
| 129 | V | 94.7 | Very high | 93 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -75.2 | -44 | 169.1 | -176.1 | 0 | 0 | 0 | 0 | 109.9 | L94 M120 A124 S125 P126 M127 E131 R132 L133 | L94-V129 HydrophobicContact CD1-CG1 4.01Å; L94-V129 HydrophobicContact CD2-CG1 4Å; M120-V129 HydrophobicContact CE-CB 4.01Å; M120-V129 HydrophobicContact CE-CG1 3.62Å; M120-V129 HydrophobicContact CG-CB 3.75Å; M120-V129 HydrophobicContact CG-CG1 3.98Å; M120-V129 HydrophobicContact CG-CG2 3.72Å; A124-V129 HydrophobicContact CB-CG2 4.4Å; S125-V129 PolarHBondContact O-N 2.93Å; P126-V129 PolarHBondContact O-N 2.77Å; M127-V129 VanDerWaalsContact C-N 3.26Å; M127-V129 PolarHBondContact O-N 3.3Å; V129-E131 VanDerWaalsContact C-N 3.35Å; V129-E131 PolarHBondContact O-N 3.13Å; V129-R132 WeakPolarHBondContact O-CB 3.44Å; V129-R132 PolarHBondContact O-N 3.25Å; V129-L133 HydrophobicContact CG1-CD1 3.86Å; V129-L133 HydrophobicContact CG1-CG 4.24Å; V129-L133 WeakPolarHBondContact O-CG 3.44Å; V129-L133 PolarHBondContact O-N 3.43Å |
| 130 | W | 94.1 | Very high | 93 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.2 | -31.4 | 179.9 | -89 | 101.6 | 0 | 0 | 0 | 115.2 | M120 P126 M127 R132 L133 T134 F137 I148 C151 L152 T155 L164 L169 | M120-W130 HydrophobicContact CE-CZ2 4.44Å; M120-W130 VanDerWaalsContact CE-NE1 3.26Å; P126-W130 PolarHBondContact O-N 2.78Å; M127-W130 HydrophobicContact CE-CB 4.25Å; M127-W130 CarbonylContact O-C 3.27Å; M127-W130 PolarHBondContact O-N 3.1Å; M127-W130 VanDerWaalsContact O-N 3.09Å; W130-R132 VanDerWaalsContact C-N 3.29Å; W130-R132 PolarHBondContact O-N 2.95Å; W130-L133 HydrophobicContact CD2-CB 4.45Å; W130-L133 HydrophobicContact CD2-CD1 4.11Å; W130-L133 HydrophobicContact CE3-CB 3.86Å; W130-L133 HydrophobicContact CE3-CD1 4.22Å; W130-L133 HydrophobicContact CH2-CD1 4.22Å; W130-L133 HydrophobicContact CZ2-CD1 4.11Å; W130-L133 HydrophobicContact CZ3-CB 3.99Å; W130-L133 HydrophobicContact CZ3-CD1 4.29Å; W130-L133 PolarHBondContact O-N 3Å; W130-T134 PolarHBondContact O-N 3.42Å; W130-T134 PolarHBondContact O-OG1 3.2Å; W130-F137 HydrophobicContact CE3-CE2 4.46Å; W130-F137 HydrophobicContact CZ3-CE2 4.01Å; W130-F137 AromaticContact CZ3-CZ 3.75Å; W130-F137 HydrophobicContact CZ3-CZ 3.75Å; W130-I148 HydrophobicContact CH2-CD1 3.81Å; W130-I148 HydrophobicContact CH2-CG1 3.84Å; W130-I148 HydrophobicContact CZ3-CD1 4.06Å; W130-I148 HydrophobicContact CZ3-CG1 3.88Å; W130-C151 HydrophobicContact CH2-CB 4.34Å; W130-C151 HydrophobicContact CZ2-CB 4.34Å; W130-L152 HydrophobicContact CD2-CD1 4.32Å; W130-L152 HydrophobicContact CH2-CB 3.6Å; W130-L152 HydrophobicContact CH2-CD1 4.35Å; W130-L152 HydrophobicContact CH2-CG 4.44Å; W130-L152 VanDerWaalsContact CZ2-CA 3.48Å; W130-L152 HydrophobicContact CZ2-CB 3.73Å; W130-L152 HydrophobicContact CZ2-CD1 3.97Å; W130-L152 HydrophobicContact CZ2-CG 4.42Å; W130-L152 HydrophobicContact CZ3-CB 4.32Å; W130-T155 PolarHBondContact NE1-OG1 2.8Å; W130-L164 HydrophobicContact CG-CD2 4.16Å; W130-L169 HydrophobicContact CB-CD1 4.29Å; W130-L169 HydrophobicContact CD2-CD1 4.08Å; W130-L169 HydrophobicContact CE3-CD1 4.13Å; W130-L169 HydrophobicContact CE3-CD2 4.11Å; W130-L169 HydrophobicContact CG-CD1 4.12Å |
| 131 | E | 92.1 | Very high | 92.9 | Very high | 92 Ų | 92 | 54 Ų | 54 | 43% | 0.43 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.3 | -32.7 | 172.5 | -69.7 | -173.8 | 151.4 | 0 | 0 | 112.1 | M127 V129 K168 | M127-E131 HydrophobicContact CE-CG 3.49Å; M127-E131 VanDerWaalsContact CE-CG 3.49Å; M127-E131 HydrophobicContact CG-CG 4.45Å; M127-E131 WeakPolarHBondContact O-CG 3.43Å; M127-E131 PolarHBondContact O-N 3.1Å; V129-E131 VanDerWaalsContact C-N 3.35Å; V129-E131 PolarHBondContact O-N 3.13Å; E131-K168 IonicContact OE1-NZ 3.75Å; E131-K168 PolarHBondContact OE1-NZ 3.23Å |
| 132 | R | 93.3 | Very high | 93.2 | Very high | 106 Ų | 106 | 50.9 Ų | 50.9 | 40% | 0.4 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -78.2 | -27.9 | 172.8 | -68.5 | 171.9 | 178.3 | 69.2 | 1.1 | 113.1 | L94 N128 V129 W130 P135 | L94-R132 HydrophobicContact CD1-CB 3.67Å; L94-R132 HydrophobicContact CD1-CG 4.43Å; N128-R132 PolarHBondContact ND2-NH1 3.19Å; N128-R132 PolarHBondContact O-NH1 3.15Å; N128-R132 PolarHBondContact OD1-NH1 3.14Å; V129-R132 WeakPolarHBondContact O-CB 3.44Å; V129-R132 PolarHBondContact O-N 3.25Å; W130-R132 VanDerWaalsContact C-N 3.29Å; W130-R132 PolarHBondContact O-N 2.95Å; R132-P135 WeakPolarHBondContact O-CD 3.45Å |
| 133 | L | 95.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -82.2 | -16.6 | 176.1 | -68.5 | 173.8 | 0 | 0 | 0 | 114.1 | L94 V98 I116 M120 V129 W130 P135 S136 I148 | L94-L133 HydrophobicContact CD2-CD2 4.34Å; V98-L133 HydrophobicContact CG2-CD2 3.61Å; I116-L133 HydrophobicContact CG2-CD1 3.81Å; M120-L133 HydrophobicContact CE-CD1 3.81Å; V129-L133 HydrophobicContact CG1-CD1 3.86Å; V129-L133 HydrophobicContact CG1-CG 4.24Å; V129-L133 WeakPolarHBondContact O-CG 3.44Å; V129-L133 PolarHBondContact O-N 3.43Å; W130-L133 HydrophobicContact CD2-CB 4.45Å; W130-L133 HydrophobicContact CD2-CD1 4.11Å; W130-L133 HydrophobicContact CE3-CB 3.86Å; W130-L133 HydrophobicContact CE3-CD1 4.22Å; W130-L133 HydrophobicContact CH2-CD1 4.22Å; W130-L133 HydrophobicContact CZ2-CD1 4.11Å; W130-L133 HydrophobicContact CZ3-CB 3.99Å; W130-L133 HydrophobicContact CZ3-CD1 4.29Å; W130-L133 PolarHBondContact O-N 3Å; L133-P135 VanDerWaalsContact C-CD 3.46Å; L133-S136 WeakPolarHBondContact O-CB 3.39Å; L133-S136 PolarHBondContact O-N 3Å; L133-S136 PolarHBondContact O-OG 2.87Å; L133-S136 VanDerWaalsContact O-OG 3.08Å; L133-I148 HydrophobicContact CB-CD1 4.08Å; L133-I148 HydrophobicContact CD1-CD1 4.2Å; L133-I148 HydrophobicContact CD2-CD1 3.95Å; L133-I148 HydrophobicContact CG-CD1 4.3Å |
| 134 | T | 92.9 | Very high | 93.7 | Very high | 29 Ų | 29 | 51.5 Ų | 51.5 | 18% | 0.178 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -58 | -35.7 | -176.2 | -67.6 | 0 | 0 | 0 | 0 | 114.7 | W130 S136 F137 H172 | W130-T134 PolarHBondContact O-N 3.42Å; W130-T134 PolarHBondContact O-OG1 3.2Å; T134-S136 PolarHBondContact O-N 3.08Å; T134-F137 WeakPolarHBondContact O-CD2 3.31Å; T134-F137 PolarHBondContact O-N 3.18Å; T134-H172 WeakPolarHBondContact CG2-CE1 3.33Å; T134-H172 WeakPolarHBondContact CG2-NE2 3.23Å |
| 135 | P | 93.4 | Very high | 94 | Very high | 90 Ų | 90 | 52.6 Ų | 52.6 | 58% | 0.584 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -60.1 | -28.8 | 172.1 | -25.6 | 36.5 | 0 | 0 | 0 | 114.1 | R132 L133 F137 K138 | R132-P135 WeakPolarHBondContact O-CD 3.45Å; L133-P135 VanDerWaalsContact C-CD 3.46Å; P135-F137 PolarHBondContact O-N 3.48Å; P135-K138 PolarHBondContact O-N 2.85Å |
| 136 | S | 94 | Very high | 94.2 | Very high | 14 Ų | 14 | 50.8 Ų | 50.8 | 10% | 0.098 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -64.6 | -22.2 | -175 | -49.9 | 0 | 0 | 0 | 0 | 113.8 | V98 L133 T134 K138 H139 | V98-S136 WeakPolarHBondContact CG1-OG 3.48Å; V98-S136 WeakPolarHBondContact CG2-OG 3.37Å; L133-S136 WeakPolarHBondContact O-CB 3.39Å; L133-S136 PolarHBondContact O-N 3Å; L133-S136 PolarHBondContact O-OG 2.87Å; L133-S136 VanDerWaalsContact O-OG 3.08Å; T134-S136 PolarHBondContact O-N 3.08Å; S136-K138 PolarHBondContact O-N 3.23Å; S136-K138 VanDerWaalsContact O-N 3.08Å; S136-H139 VanDerWaalsContact O-CB 3.31Å; S136-H139 WeakPolarHBondContact O-CB 3.38Å; S136-H139 PolarHBondContact O-N 2.77Å |
| 137 | F | 94.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -59.6 | -16.3 | 169.6 | -68.6 | -64.4 | 0 | 0 | 0 | 113.1 | W130 T134 P135 R145 I148 L152 L169 H172 L173 L176 | W130-F137 HydrophobicContact CE3-CE2 4.46Å; W130-F137 HydrophobicContact CZ3-CE2 4.01Å; W130-F137 AromaticContact CZ3-CZ 3.75Å; W130-F137 HydrophobicContact CZ3-CZ 3.75Å; T134-F137 WeakPolarHBondContact O-CD2 3.31Å; T134-F137 PolarHBondContact O-N 3.18Å; P135-F137 PolarHBondContact O-N 3.48Å; F137-R145 WeakPolarHBondContact O-CD 3.35Å; F137-I148 HydrophobicContact CD1-CG2 3.58Å; F137-I148 HydrophobicContact CE1-CG1 4.45Å; F137-I148 HydrophobicContact CE1-CG2 3.84Å; F137-I148 HydrophobicContact CG-CG2 4.3Å; F137-L152 HydrophobicContact CZ-CD2 4.18Å; F137-L169 HydrophobicContact CE2-CD2 4.33Å; F137-H172 HydrophobicContact CB-CB 3.94Å; F137-H172 HydrophobicContact CD1-CB 4.3Å; F137-H172 HydrophobicContact CD2-CB 3.41Å; F137-H172 VanDerWaalsContact CD2-CB 3.41Å; F137-H172 AromaticContact CD2-CG 3.76Å; F137-H172 AromaticContact CD2-ND1 3.99Å; F137-H172 HydrophobicContact CE2-CB 3.92Å; F137-H172 HydrophobicContact CG-CB 3.64Å; F137-L173 HydrophobicContact CE1-CD2 3.81Å; F137-L173 HydrophobicContact CZ-CD2 4.34Å; F137-L176 HydrophobicContact CB-CD1 4.32Å; F137-L176 HydrophobicContact CD1-CD1 3.73Å; F137-L176 HydrophobicContact CG-CD1 4.5Å; F137-L176 WeakPolarHBondContact O-CD2 3.32Å |
| 138 | K | 94.6 | Very high | 94.6 | Very high | 175 Ų | 175 | 49.5 Ų | 49.5 | 76% | 0.761 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -107.1 | 15.3 | 174 | -62.9 | -176.5 | 178.4 | 178.1 | 0 | 113.4 | P135 S136 | P135-K138 PolarHBondContact O-N 2.85Å; S136-K138 PolarHBondContact O-N 3.23Å; S136-K138 VanDerWaalsContact O-N 3.08Å |
| 139 | H | 95.7 | Very high | 94.8 | Very high | 35 Ų | 35 | 47.8 Ų | 47.8 | 16% | 0.162 | 22% | 0.222 | C | C | . | . | trans | -63.5 | 146 | -173.9 | -167.4 | -130 | 0 | 0 | 0 | 113.4 | D99 S136 N141 S144 R145 | D99-H139 IonicContact OD1-CE1 3.53Å; D99-H139 PolarHBondContact OD1-CE1 3.46Å; D99-H139 VanDerWaalsContact OD1-CE1 3.23Å; D99-H139 IonicContact OD1-NE2 3.43Å; S136-H139 VanDerWaalsContact O-CB 3.31Å; S136-H139 WeakPolarHBondContact O-CB 3.38Å; S136-H139 PolarHBondContact O-N 2.77Å; H139-N141 PolarHBondContact O-N 2.71Å; H139-S144 WeakPolarHBondContact ND1-CB 3.32Å; H139-S144 PolarHBondContact ND1-OG 3.06Å; H139-R145 HydrophobicContact CB-CG 4.28Å; H139-R145 WeakPolarHBondContact O-CD 3.46Å; H139-R145 VanDerWaalsContact O-CG 3.31Å; H139-R145 WeakPolarHBondContact O-CG 3.04Å; H139-R145 PolarHBondContact O-NH1 3.31Å | ||
| 140 | K | 94.4 | Very high | 94.8 | Very high | 174 Ų | 174 | 51.9 Ų | 51.9 | 76% | 0.757 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -57.8 | -44 | -178.4 | 69.3 | -156.1 | 173.7 | -163.8 | 0 | 113 | F142 R145 | K140-F142 PolarHBondContact O-N 3.47Å; K140-R145 PolarHBondContact O-NH1 2.91Å; K140-R145 VanDerWaalsContact O-NH1 3.16Å |
| 141 | N | 94.1 | Very high | 94.9 | Very high | 50 Ų | 50 | 51.9 Ų | 51.9 | 27% | 0.267 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -77.3 | 122.1 | 178.5 | -177.7 | 1.2 | 0 | 0 | 0 | 110.1 | G102 H139 R143 S144 R145 | G102-N141 WeakPolarHBondContact CA-ND2 3.22Å; G102-N141 PolarHBondContact O-ND2 2.93Å; G102-N141 VanDerWaalsContact O-ND2 3.09Å; H139-N141 PolarHBondContact O-N 2.71Å; N141-R143 PolarHBondContact O-N 3.37Å; N141-R143 PolarHBondContact OD1-N 3.33Å; N141-S144 PolarHBondContact O-N 3.36Å; N141-S144 VanDerWaalsContact O-N 3.13Å; N141-R145 PolarHBondContact O-N 3.28Å |
| 142 | F | 95.1 | Very high | 95.1 | Very high | 63 Ų | 63 | 47.5 Ų | 47.5 | 28% | 0.276 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.5 | -33.4 | 178.2 | 77.4 | -94.7 | 0 | 0 | 0 | 112.2 | K140 S144 R145 E146 N181 V184 | K140-F142 PolarHBondContact O-N 3.47Å; F142-S144 VanDerWaalsContact C-N 3.31Å; F142-S144 PolarHBondContact O-N 2.95Å; F142-R145 WeakPolarHBondContact O-CA 3.39Å; F142-R145 WeakPolarHBondContact O-CB 3.21Å; F142-R145 PolarHBondContact O-N 3.03Å; F142-E146 PolarHBondContact O-N 3.09Å; F142-N181 HydrophobicContact CB-CB 4.08Å; F142-N181 HydrophobicContact CD2-CB 4.47Å; F142-N181 WeakPolarHBondContact CD2-ND2 3.34Å; F142-N181 WeakPolarHBondContact CE2-ND2 3.42Å; F142-N181 HydrophobicContact CG-CB 4.38Å; F142-N181 WeakPolarHBondContact CG-ND2 3.23Å; F142-V184 HydrophobicContact CB-CG2 3.95Å; F142-V184 HydrophobicContact CD2-CG2 4.45Å; F142-V184 WeakPolarHBondContact O-CG2 3.39Å |
| 143 | R | 94.4 | Very high | 95.1 | Very high | 91 Ų | 91 | 43.4 Ų | 43.4 | 34% | 0.343 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.5 | -31 | 177.6 | -67.2 | -173.5 | 175 | -168.7 | -1.8 | 112.9 | D103 N141 G147 | D103-R143 PolarHBondContact O-NH1 3.18Å; N141-R143 PolarHBondContact O-N 3.37Å; N141-R143 PolarHBondContact OD1-N 3.33Å; R143-G147 WeakPolarHBondContact O-CA 3.3Å; R143-G147 PolarHBondContact O-N 2.74Å |
| 144 | S | 96.2 | Very high | 95 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71.5 | -32.4 | 170.9 | -53.7 | 0 | 0 | 0 | 0 | 111.9 | V98 H139 N141 F142 I148 | V98-S144 WeakPolarHBondContact O-CB 3.25Å; V98-S144 PolarHBondContact O-OG 3.21Å; H139-S144 WeakPolarHBondContact ND1-CB 3.32Å; H139-S144 PolarHBondContact ND1-OG 3.06Å; N141-S144 PolarHBondContact O-N 3.36Å; N141-S144 VanDerWaalsContact O-N 3.13Å; F142-S144 VanDerWaalsContact C-N 3.31Å; F142-S144 PolarHBondContact O-N 2.95Å; S144-I148 WeakPolarHBondContact O-CB 3.5Å; S144-I148 WeakPolarHBondContact O-CG2 3.28Å; S144-I148 PolarHBondContact O-N 3Å |
| 145 | R | 96.8 | Very high | 95.1 | Very high | 34 Ų | 34 | 43.1 Ų | 43.1 | 13% | 0.128 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.9 | -35.6 | 175.2 | -58.9 | -162.7 | -58 | -80.8 | 4.4 | 112.1 | F137 H139 K140 N141 F142 I148 C149 L176 D179 V184 | F137-R145 WeakPolarHBondContact O-CD 3.35Å; H139-R145 HydrophobicContact CB-CG 4.28Å; H139-R145 WeakPolarHBondContact O-CD 3.46Å; H139-R145 VanDerWaalsContact O-CG 3.31Å; H139-R145 WeakPolarHBondContact O-CG 3.04Å; H139-R145 PolarHBondContact O-NH1 3.31Å; K140-R145 PolarHBondContact O-NH1 2.91Å; K140-R145 VanDerWaalsContact O-NH1 3.16Å; N141-R145 PolarHBondContact O-N 3.28Å; F142-R145 WeakPolarHBondContact O-CA 3.39Å; F142-R145 WeakPolarHBondContact O-CB 3.21Å; F142-R145 PolarHBondContact O-N 3.03Å; R145-I148 WeakPolarHBondContact O-CG2 3.46Å; R145-C149 PolarHBondContact O-N 3.32Å; R145-C149 PolarHBondContact O-SG 2.78Å; R145-C149 VanDerWaalsContact O-SG 3.39Å; R145-L176 HydrophobicContact CB-CD1 4.46Å; R145-D179 IonicContact CZ-OD1 3.68Å; R145-D179 IonicContact CZ-OD2 2.7Å; R145-D179 IonicContact NE-OD2 3.61Å; R145-D179 PolarHBondContact NE-OD2 3.25Å; R145-D179 VanDerWaalsContact NH2-CG 3.28Å; R145-D179 IonicContact NH2-OD1 2.75Å; R145-D179 PolarHBondContact NH2-OD1 2.63Å; R145-D179 IonicContact NH2-OD2 2.81Å; R145-D179 PolarHBondContact NH2-OD2 3.12Å; R145-V184 HydrophobicContact CB-CG1 3.77Å; R145-V184 HydrophobicContact CB-CG2 4.1Å |
| 146 | E | 95.4 | Very high | 95 | Very high | 39 Ų | 39 | 38.9 Ų | 38.9 | 18% | 0.182 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.3 | -51.9 | 167.9 | 177.7 | 178.7 | -153 | 0 | 0 | 110.6 | F142 I148 C149 L150 Q183 V184 A187 | F142-E146 PolarHBondContact O-N 3.09Å; E146-I148 VanDerWaalsContact C-N 3.33Å; E146-I148 PolarHBondContact O-N 3.14Å; E146-C149 WeakPolarHBondContact O-CB 3.46Å; E146-C149 PolarHBondContact O-N 2.86Å; E146-C149 VanDerWaalsContact O-N 3.16Å; E146-L150 HydrophobicContact CG-CD1 4.26Å; E146-L150 WeakPolarHBondContact O-CG 3.38Å; E146-L150 PolarHBondContact O-N 2.98Å; E146-Q183 WeakPolarHBondContact OE1-CB 3.25Å; E146-Q183 PolarHBondContact OE1-NE2 3.43Å; E146-Q183 PolarHBondContact OE2-NE2 3.03Å; E146-V184 HydrophobicContact CB-CG2 4.29Å; E146-A187 HydrophobicContact CG-CB 4.22Å |
| 147 | G | 95.5 | Very high | 94.8 | Very high | 7 Ų | 7 | 41.3 Ų | 41.3 | 7% | 0.072 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.5 | -32.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R143 L150 C151 | R143-G147 WeakPolarHBondContact O-CA 3.3Å; R143-G147 PolarHBondContact O-N 2.74Å; G147-L150 PolarHBondContact O-N 3.09Å; G147-C151 VanDerWaalsContact O-CB 3.29Å; G147-C151 WeakPolarHBondContact O-CB 3.46Å; G147-C151 PolarHBondContact O-N 3.06Å |
| 148 | I | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -76 | -32 | 175.8 | -159.2 | 69.8 | 0 | 0 | 0 | 112.7 | L101 W130 L133 F137 S144 R145 E146 C151 L152 | L101-I148 HydrophobicContact CD1-CD1 4.01Å; W130-I148 HydrophobicContact CH2-CD1 3.81Å; W130-I148 HydrophobicContact CH2-CG1 3.84Å; W130-I148 HydrophobicContact CZ3-CD1 4.06Å; W130-I148 HydrophobicContact CZ3-CG1 3.88Å; L133-I148 HydrophobicContact CB-CD1 4.08Å; L133-I148 HydrophobicContact CD1-CD1 4.2Å; L133-I148 HydrophobicContact CD2-CD1 3.95Å; L133-I148 HydrophobicContact CG-CD1 4.3Å; F137-I148 HydrophobicContact CD1-CG2 3.58Å; F137-I148 HydrophobicContact CE1-CG1 4.45Å; F137-I148 HydrophobicContact CE1-CG2 3.84Å; F137-I148 HydrophobicContact CG-CG2 4.3Å; S144-I148 WeakPolarHBondContact O-CB 3.5Å; S144-I148 WeakPolarHBondContact O-CG2 3.28Å; S144-I148 PolarHBondContact O-N 3Å; R145-I148 WeakPolarHBondContact O-CG2 3.46Å; E146-I148 VanDerWaalsContact C-N 3.33Å; E146-I148 PolarHBondContact O-N 3.14Å; I148-C151 HydrophobicContact CD1-CB 4.27Å; I148-C151 PolarHBondContact O-N 3.31Å; I148-L152 PolarHBondContact O-N 3.04Å |
| 149 | C | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.7 | -50 | 167.5 | -72.5 | 0 | 0 | 0 | 0 | 110.4 | R145 E146 C151 L152 S153 A187 T191 | R145-C149 PolarHBondContact O-N 3.32Å; R145-C149 PolarHBondContact O-SG 2.78Å; R145-C149 VanDerWaalsContact O-SG 3.39Å; E146-C149 WeakPolarHBondContact O-CB 3.46Å; E146-C149 PolarHBondContact O-N 2.86Å; E146-C149 VanDerWaalsContact O-N 3.16Å; C149-C151 VanDerWaalsContact C-N 3.27Å; C149-C151 PolarHBondContact O-N 3.16Å; C149-L152 WeakPolarHBondContact O-CB 3.45Å; C149-L152 PolarHBondContact O-N 3.49Å; C149-S153 PolarHBondContact O-N 3.36Å; C149-A187 HydrophobicContact CB-CB 4.03Å; C149-T191 WeakPolarHBondContact CB-OG1 3.34Å; C149-T191 PolarHBondContact O-OG1 2.84Å |
| 150 | L | 95.4 | Very high | 93.7 | Very high | 85 Ų | 85 | 39.1 Ų | 39.1 | 45% | 0.445 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.4 | -36.4 | 175.6 | -64 | 173.3 | 0 | 0 | 0 | 112.5 | Q113 E146 G147 L152 S153 A154 | Q113-L150 VanDerWaalsContact NE2-C 3.3Å; Q113-L150 PolarHBondContact NE2-O 3.39Å; E146-L150 HydrophobicContact CG-CD1 4.26Å; E146-L150 WeakPolarHBondContact O-CG 3.38Å; E146-L150 PolarHBondContact O-N 2.98Å; G147-L150 PolarHBondContact O-N 3.09Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L150-S153 PolarHBondContact O-N 2.98Å; L150-A154 WeakPolarHBondContact O-CB 3.41Å; L150-A154 PolarHBondContact O-N 2.98Å |
| 151 | C | 96.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.5 | -34.9 | 174.7 | -167.7 | 0 | 0 | 0 | 0 | 112.4 | L101 Q113 I116 W130 G147 I148 C149 A154 T155 | L101-C151 HydrophobicContact CD1-CB 4.49Å; Q113-C151 HydrophobicContact CG-CB 4.39Å; I116-C151 VanDerWaalsContact CG2-SG 3.59Å; W130-C151 HydrophobicContact CH2-CB 4.34Å; W130-C151 HydrophobicContact CZ2-CB 4.34Å; G147-C151 VanDerWaalsContact O-CB 3.29Å; G147-C151 WeakPolarHBondContact O-CB 3.46Å; G147-C151 PolarHBondContact O-N 3.06Å; I148-C151 HydrophobicContact CD1-CB 4.27Å; I148-C151 PolarHBondContact O-N 3.31Å; C149-C151 VanDerWaalsContact C-N 3.27Å; C149-C151 PolarHBondContact O-N 3.16Å; C151-A154 PolarHBondContact O-N 2.83Å; C151-T155 WeakPolarHBondContact O-CB 3.15Å; C151-T155 PolarHBondContact O-N 3.24Å; C151-T155 PolarHBondContact O-OG1 3.31Å |
| 152 | L | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.1 | -42.9 | 174.2 | -176.9 | 53.3 | 0 | 0 | 0 | 111.6 | W130 F137 I148 C149 L150 A154 T155 L156 L164 L169 L173 T191 | W130-L152 HydrophobicContact CD2-CD1 4.32Å; W130-L152 HydrophobicContact CH2-CB 3.6Å; W130-L152 HydrophobicContact CH2-CD1 4.35Å; W130-L152 HydrophobicContact CH2-CG 4.44Å; W130-L152 VanDerWaalsContact CZ2-CA 3.48Å; W130-L152 HydrophobicContact CZ2-CB 3.73Å; W130-L152 HydrophobicContact CZ2-CD1 3.97Å; W130-L152 HydrophobicContact CZ2-CG 4.42Å; W130-L152 HydrophobicContact CZ3-CB 4.32Å; F137-L152 HydrophobicContact CZ-CD2 4.18Å; I148-L152 PolarHBondContact O-N 3.04Å; C149-L152 WeakPolarHBondContact O-CB 3.45Å; C149-L152 PolarHBondContact O-N 3.49Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L152-A154 VanDerWaalsContact C-N 3.31Å; L152-A154 PolarHBondContact O-N 3.38Å; L152-T155 PolarHBondContact O-N 3.02Å; L152-L156 HydrophobicContact CD1-CD1 4.35Å; L152-L156 HydrophobicContact CD1-CG 4.4Å; L152-L156 HydrophobicContact CG-CD1 4.16Å; L152-L156 WeakPolarHBondContact O-CB 3.5Å; L152-L156 WeakPolarHBondContact O-CG 3.45Å; L152-L156 PolarHBondContact O-N 2.96Å; L152-L164 HydrophobicContact CD1-CD1 4.11Å; L152-L169 HydrophobicContact CD1-CD1 3.82Å; L152-L169 HydrophobicContact CD2-CB 4.24Å; L152-L169 HydrophobicContact CD2-CD1 4.2Å; L152-L173 HydrophobicContact CD2-CD1 3.96Å; L152-L173 HydrophobicContact CD2-CD2 4.33Å; L152-L173 HydrophobicContact CD2-CG 4.38Å; L152-T191 HydrophobicContact CB-CG2 3.84Å; L152-T191 HydrophobicContact CD2-CG2 3.87Å; L152-T191 HydrophobicContact CG-CG2 3.82Å |
| 153 | S | 94.1 | Very high | 92.2 | Very high | 21 Ų | 21 | 37.3 Ų | 37.3 | 15% | 0.147 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57 | -42.9 | 170.5 | -69.3 | 0 | 0 | 0 | 0 | 112 | C149 L150 L156 G157 T191 D194 | C149-S153 PolarHBondContact O-N 3.36Å; L150-S153 PolarHBondContact O-N 2.98Å; S153-L156 PolarHBondContact O-N 3.43Å; S153-G157 PolarHBondContact O-N 3.47Å; S153-T191 PolarHBondContact OG-OG1 3.37Å; S153-D194 VanDerWaalsContact CB-OD2 3.25Å; S153-D194 WeakPolarHBondContact CB-OD2 3.17Å; S153-D194 PolarHBondContact OG-OD2 3.44Å |
| 154 | A | 93.6 | Very high | 91.9 | Very high | 24 Ų | 24 | 33.5 Ų | 33.5 | 20% | 0.198 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.9 | -37.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L117 L150 C151 L152 G157 T158 | L117-A154 HydrophobicContact CD1-CB 3.92Å; L117-A154 HydrophobicContact CD2-CB 4.49Å; L150-A154 WeakPolarHBondContact O-CB 3.41Å; L150-A154 PolarHBondContact O-N 2.98Å; C151-A154 PolarHBondContact O-N 2.83Å; L152-A154 VanDerWaalsContact C-N 3.31Å; L152-A154 PolarHBondContact O-N 3.38Å; A154-G157 PolarHBondContact O-N 3.36Å; A154-T158 WeakPolarHBondContact O-CB 3.16Å; A154-T158 PolarHBondContact O-N 2.91Å; A154-T158 PolarHBondContact O-OG1 2.97Å |
| 155 | T | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.8 | -45.5 | 173.6 | -52.3 | 0 | 0 | 0 | 0 | 110.5 | M120 P126 W130 C151 L152 T158 Y159 L164 | M120-T155 HydrophobicContact SD-CG2 3.68Å; P126-T155 HydrophobicContact CB-CG2 4.39Å; W130-T155 PolarHBondContact NE1-OG1 2.8Å; C151-T155 WeakPolarHBondContact O-CB 3.15Å; C151-T155 PolarHBondContact O-N 3.24Å; C151-T155 PolarHBondContact O-OG1 3.31Å; L152-T155 PolarHBondContact O-N 3.02Å; T155-T158 PolarHBondContact O-N 2.97Å; T155-Y159 HydrophobicContact CG2-CD2 3.71Å; T155-Y159 HydrophobicContact CG2-CE2 4.41Å; T155-Y159 WeakPolarHBondContact O-CB 3.34Å; T155-Y159 PolarHBondContact O-N 2.97Å; T155-L164 HydrophobicContact CG2-CD1 3.89Å; T155-L164 HydrophobicContact CG2-CD2 4.15Å; T155-L164 HydrophobicContact CG2-CG 4.47Å |
| 156 | L | 91.6 | Very high | 91 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.5 | -44 | 177.1 | -76.4 | 162 | 0 | 0 | 0 | 111.9 | L152 S153 T158 G160 L164 L166 D194 V195 H198 | L152-L156 HydrophobicContact CD1-CD1 4.35Å; L152-L156 HydrophobicContact CD1-CG 4.4Å; L152-L156 HydrophobicContact CG-CD1 4.16Å; L152-L156 WeakPolarHBondContact O-CB 3.5Å; L152-L156 WeakPolarHBondContact O-CG 3.45Å; L152-L156 PolarHBondContact O-N 2.96Å; S153-L156 PolarHBondContact O-N 3.43Å; L156-T158 VanDerWaalsContact C-N 3.29Å; L156-T158 PolarHBondContact O-N 3.01Å; L156-G160 WeakPolarHBondContact O-CA 3.43Å; L156-G160 PolarHBondContact O-N 3.45Å; L156-L164 HydrophobicContact CD2-CD1 3.99Å; L156-L164 HydrophobicContact CG-CD1 4.24Å; L156-L166 HydrophobicContact CD2-CD1 3.94Å; L156-L166 HydrophobicContact CD2-CD2 4.05Å; L156-D194 HydrophobicContact CD1-CB 4.21Å; L156-V195 HydrophobicContact CD1-CG2 3.6Å; L156-H198 PolarHBondContact O-CE1 2.87Å; L156-H198 PolarHBondContact O-NE2 2.65Å |
| 157 | G | 89.3 | Confident | 90.6 | Very high | 64 Ų | 64 | 36.9 Ų | 36.9 | 66% | 0.66 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -65 | -28.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S153 A154 | S153-G157 PolarHBondContact O-N 3.47Å; A154-G157 PolarHBondContact O-N 3.36Å |
| 158 | T | 89.3 | Confident | 90.2 | Very high | 89 Ų | 89 | 41.5 Ų | 41.5 | 55% | 0.546 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -89.7 | -45.4 | -178.7 | -52.4 | 0 | 0 | 0 | 0 | 112.6 | A154 T155 L156 | A154-T158 WeakPolarHBondContact O-CB 3.16Å; A154-T158 PolarHBondContact O-N 2.91Å; A154-T158 PolarHBondContact O-OG1 2.97Å; T155-T158 PolarHBondContact O-N 2.97Å; L156-T158 VanDerWaalsContact C-N 3.29Å; L156-T158 PolarHBondContact O-N 3.01Å |
| 159 | Y | 86.7 | Confident | 90 | Very high | 60 Ų | 60 | 41.5 Ų | 41.5 | 24% | 0.235 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -114.3 | -7.5 | -168.8 | -60.4 | -77 | 0 | 0 | 0 | 114.1 | L117 M120 E121 P126 T155 P163 | L117-Y159 HydrophobicContact CD2-CE2 4.25Å; L117-Y159 PolarHBondContact O-OH 2.95Å; M120-Y159 HydrophobicContact CB-CE2 3.86Å; M120-Y159 HydrophobicContact SD-CE2 4.24Å; E121-Y159 WeakPolarHBondContact CB-OH 3.35Å; E121-Y159 PolarHBondContact N-OH 2.93Å; P126-Y159 HydrophobicContact CG-CD1 3.97Å; P126-Y159 HydrophobicContact CG-CD2 4.16Å; P126-Y159 HydrophobicContact CG-CE1 4.28Å; P126-Y159 HydrophobicContact CG-CE2 4.45Å; P126-Y159 HydrophobicContact CG-CG 3.91Å; T155-Y159 HydrophobicContact CG2-CD2 3.71Å; T155-Y159 HydrophobicContact CG2-CE2 4.41Å; T155-Y159 WeakPolarHBondContact O-CB 3.34Å; T155-Y159 PolarHBondContact O-N 2.97Å; Y159-P163 VanDerWaalsContact O-CD 3.23Å; Y159-P163 WeakPolarHBondContact O-CD 3.31Å; Y159-P163 WeakPolarHBondContact O-CG 3.41Å |
| 160 | G | 86.4 | Confident | 89.7 | Confident | 19 Ų | 19 | 41.9 Ų | 41.9 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | trans | 68.4 | -169.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L156 | L156-G160 WeakPolarHBondContact O-CA 3.43Å; L156-G160 PolarHBondContact O-N 3.45Å | ||
| 161 | A | 86.3 | Confident | 89.5 | Confident | 20 Ų | 20 | 40.5 Ų | 40.5 | 17% | 0.165 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -83.2 | -23.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L164 L166 H198 V199 | A161-L164 PolarHBondContact O-N 2.99Å; A161-L164 VanDerWaalsContact O-N 3.14Å; A161-L164 VanDerWaalsContact O-O 3.1Å; A161-L166 HydrophobicContact CB-CD1 3.54Å; A161-H198 HydrophobicContact CB-CB 3.72Å; A161-V199 HydrophobicContact CB-CG2 3.9Å |
| 162 | Q | 82.6 | Confident | 89.3 | Confident | 179 Ų | 179 | 43 Ų | 43 | 84% | 0.836 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -44.6 | -171.6 | -64.9 | -67.3 | -2.3 | 0 | 0 | 114.5 | L164 | Q162-L164 PolarHBondContact O-N 3.25Š|
| 163 | P | 84.1 | Confident | 89.3 | Confident | 51 Ų | 51 | 43 Ų | 43 | 33% | 0.331 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 12.2 | 179.2 | 33 | -33.6 | 0 | 0 | 0 | 113.7 | P126 Y159 | P126-P163 HydrophobicContact CB-CB 4.37Å; P126-P163 HydrophobicContact CG-CB 4.05Å; P126-P163 HydrophobicContact CG-CG 4.16Å; Y159-P163 VanDerWaalsContact O-CD 3.23Å; Y159-P163 WeakPolarHBondContact O-CD 3.31Å; Y159-P163 WeakPolarHBondContact O-CG 3.41Å |
| 164 | L | 86.4 | Confident | 89.2 | Confident | 11 Ų | 11 | 42.5 Ų | 42.5 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -124 | 124.6 | -177.5 | -63.1 | 177.6 | 0 | 0 | 0 | 111.6 | P126 W130 L152 T155 L156 A161 Q162 L166 | P126-L164 HydrophobicContact CB-CD2 3.8Å; W130-L164 HydrophobicContact CG-CD2 4.16Å; L152-L164 HydrophobicContact CD1-CD1 4.11Å; T155-L164 HydrophobicContact CG2-CD1 3.89Å; T155-L164 HydrophobicContact CG2-CD2 4.15Å; T155-L164 HydrophobicContact CG2-CG 4.47Å; L156-L164 HydrophobicContact CD2-CD1 3.99Å; L156-L164 HydrophobicContact CG-CD1 4.24Å; A161-L164 PolarHBondContact O-N 2.99Å; A161-L164 VanDerWaalsContact O-N 3.14Å; A161-L164 VanDerWaalsContact O-O 3.1Å; Q162-L164 PolarHBondContact O-N 3.25Å; L164-L166 HydrophobicContact CB-CD2 3.7Å; L164-L166 HydrophobicContact CB-CG 3.9Å; L164-L166 HydrophobicContact CD1-CD2 3.93Å; L164-L166 HydrophobicContact CG-CD2 4.48Å; L164-L166 PolarHBondContact O-N 3.03Å |
| 165 | S | 88.7 | Confident | 89.1 | Confident | 46 Ų | 46 | 45.3 Ų | 45.3 | 32% | 0.322 | 28% | 0.275 | S | S | . | . | trans | -74 | 69.5 | 167.5 | -61.9 | 0 | 0 | 0 | 0 | 110.6 | M127 S167 K168 | M127-S165 VanDerWaalsContact SD-CB 3.57Å; M127-S165 PolarHBondContact SD-N 3.41Å; S165-S167 PolarHBondContact O-N 2.87Å; S165-S167 VanDerWaalsContact O-N 3.08Å; S165-K168 VanDerWaalsContact O-CB 3.31Å; S165-K168 WeakPolarHBondContact O-CB 3.29Å; S165-K168 PolarHBondContact O-N 2.94Å | ||
| 166 | L | 86.6 | Confident | 89.1 | Confident | 15 Ų | 15 | 45.8 Ų | 45.8 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.9 | -25.9 | -173.6 | -63.8 | 175 | 0 | 0 | 0 | 113.3 | L156 A161 L164 K168 L169 V170 V195 V199 | L156-L166 HydrophobicContact CD2-CD1 3.94Å; L156-L166 HydrophobicContact CD2-CD2 4.05Å; A161-L166 HydrophobicContact CB-CD1 3.54Å; L164-L166 HydrophobicContact CB-CD2 3.7Å; L164-L166 HydrophobicContact CB-CG 3.9Å; L164-L166 HydrophobicContact CD1-CD2 3.93Å; L164-L166 HydrophobicContact CG-CD2 4.48Å; L164-L166 PolarHBondContact O-N 3.03Å; L166-K168 PolarHBondContact O-N 3.3Å; L166-L169 HydrophobicContact CD2-CD1 4.33Å; L166-L169 PolarHBondContact O-N 3.14Å; L166-V170 VanDerWaalsContact O-CG2 3.26Å; L166-V170 WeakPolarHBondContact O-CG2 3.19Å; L166-V170 PolarHBondContact O-N 3.43Å; L166-V195 HydrophobicContact CD1-CG1 4.22Å; L166-V195 HydrophobicContact CD2-CG2 4.28Å; L166-V199 HydrophobicContact CD1-CG2 3.61Å |
| 167 | S | 85.9 | Confident | 89.2 | Confident | 82 Ų | 82 | 45.9 Ų | 45.9 | 57% | 0.573 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -54.2 | -35 | 169.2 | 53.3 | 0 | 0 | 0 | 0 | 113.6 | S165 P171 | S165-S167 PolarHBondContact O-N 2.87Å; S165-S167 VanDerWaalsContact O-N 3.08Å; S167-P171 WeakPolarHBondContact O-CD 3.37Å; S167-P171 WeakPolarHBondContact O-CG 3.27Å |
| 168 | K | 88.6 | Confident | 89.3 | Confident | 104 Ų | 104 | 44.7 Ų | 44.7 | 45% | 0.452 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -74.6 | -33.3 | 173.5 | -64.4 | 179 | 175.7 | 169.7 | 0 | 113 | M127 E131 S165 L166 P171 H172 | M127-K168 HydrophobicContact CE-CD 3.92Å; E131-K168 IonicContact OE1-NZ 3.75Å; E131-K168 PolarHBondContact OE1-NZ 3.23Å; S165-K168 VanDerWaalsContact O-CB 3.31Å; S165-K168 WeakPolarHBondContact O-CB 3.29Å; S165-K168 PolarHBondContact O-N 2.94Å; L166-K168 PolarHBondContact O-N 3.3Å; K168-P171 WeakPolarHBondContact O-CD 3.44Å; K168-H172 PolarHBondContact O-CD2 2.83Å |
| 169 | L | 90.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -90 | -38.8 | -171.9 | -60.7 | -179.1 | 0 | 0 | 0 | 113.6 | W130 F137 L152 L166 P171 H172 L173 | W130-L169 HydrophobicContact CB-CD1 4.29Å; W130-L169 HydrophobicContact CD2-CD1 4.08Å; W130-L169 HydrophobicContact CE3-CD1 4.13Å; W130-L169 HydrophobicContact CE3-CD2 4.11Å; W130-L169 HydrophobicContact CG-CD1 4.12Å; F137-L169 HydrophobicContact CE2-CD2 4.33Å; L152-L169 HydrophobicContact CD1-CD1 3.82Å; L152-L169 HydrophobicContact CD2-CB 4.24Å; L152-L169 HydrophobicContact CD2-CD1 4.2Å; L166-L169 HydrophobicContact CD2-CD1 4.33Å; L166-L169 PolarHBondContact O-N 3.14Å; L169-P171 VanDerWaalsContact C-N 3.34Å; L169-H172 WeakPolarHBondContact O-CB 3.43Å; L169-H172 PolarHBondContact O-N 2.91Å; L169-L173 PolarHBondContact O-N 3.09Å |
| 170 | V | 91.4 | Very high | 90 | Very high | 7 Ų | 7 | 47.7 Ų | 47.7 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -52.7 | -37.5 | 178.5 | 174.1 | 0 | 0 | 0 | 0 | 114.1 | L166 H172 L173 C174 L192 V195 | L166-V170 VanDerWaalsContact O-CG2 3.26Å; L166-V170 WeakPolarHBondContact O-CG2 3.19Å; L166-V170 PolarHBondContact O-N 3.43Å; V170-H172 PolarHBondContact O-N 3.38Å; V170-L173 PolarHBondContact O-N 2.92Å; V170-C174 PolarHBondContact O-N 3.31Å; V170-C174 PolarHBondContact O-SG 3.45Å; V170-L192 HydrophobicContact CG1-CD2 3.79Å; V170-L192 HydrophobicContact CG2-CD2 4.48Å; V170-V195 HydrophobicContact CG2-CG1 3.7Å |
| 171 | P | 91 | Very high | 90.4 | Very high | 57 Ų | 57 | 48.3 Ų | 48.3 | 37% | 0.37 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56.2 | -35.9 | 174.7 | -22 | 31.3 | 0 | 0 | 0 | 113.9 | S167 K168 L169 C174 S175 R210 | S167-P171 WeakPolarHBondContact O-CD 3.37Å; S167-P171 WeakPolarHBondContact O-CG 3.27Å; K168-P171 WeakPolarHBondContact O-CD 3.44Å; L169-P171 VanDerWaalsContact C-N 3.34Å; P171-C174 WeakPolarHBondContact O-CB 3.49Å; P171-C174 PolarHBondContact O-N 3.14Å; P171-S175 PolarHBondContact O-N 3.49Å; P171-S175 VanDerWaalsContact O-N 3.16Å; P171-R210 VanDerWaalsContact CD-NH1 3.25Å; P171-R210 VanDerWaalsContact CG-NH1 3.34Å; P171-R210 VanDerWaalsContact N-NH1 3.19Å |
| 172 | H | 93.1 | Very high | 90.7 | Very high | 52 Ų | 52 | 50.9 Ų | 50.9 | 24% | 0.241 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -72.7 | -40.3 | 179.1 | -63.7 | -99.8 | 0 | 0 | 0 | 110.9 | T134 F137 K168 L169 V170 S175 L176 | T134-H172 WeakPolarHBondContact CG2-CE1 3.33Å; T134-H172 WeakPolarHBondContact CG2-NE2 3.23Å; F137-H172 HydrophobicContact CB-CB 3.94Å; F137-H172 HydrophobicContact CD1-CB 4.3Å; F137-H172 HydrophobicContact CD2-CB 3.41Å; F137-H172 VanDerWaalsContact CD2-CB 3.41Å; F137-H172 AromaticContact CD2-CG 3.76Å; F137-H172 AromaticContact CD2-ND1 3.99Å; F137-H172 HydrophobicContact CE2-CB 3.92Å; F137-H172 HydrophobicContact CG-CB 3.64Å; K168-H172 PolarHBondContact O-CD2 2.83Å; L169-H172 WeakPolarHBondContact O-CB 3.43Å; L169-H172 PolarHBondContact O-N 2.91Å; V170-H172 PolarHBondContact O-N 3.38Å; H172-S175 WeakPolarHBondContact O-CB 3.26Å; H172-S175 PolarHBondContact O-N 3.13Å; H172-L176 PolarHBondContact O-N 3.2Å; H172-L176 VanDerWaalsContact O-N 3.08Å |
| 173 | L | 94 | Very high | 91.2 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.1 | -44 | 171.6 | -60.1 | 177.4 | 0 | 0 | 0 | 111.8 | F137 L152 L169 V170 S175 L176 T177 T191 L192 V195 | F137-L173 HydrophobicContact CE1-CD2 3.81Å; F137-L173 HydrophobicContact CZ-CD2 4.34Å; L152-L173 HydrophobicContact CD2-CD1 3.96Å; L152-L173 HydrophobicContact CD2-CD2 4.33Å; L152-L173 HydrophobicContact CD2-CG 4.38Å; L169-L173 PolarHBondContact O-N 3.09Å; V170-L173 PolarHBondContact O-N 2.92Å; L173-S175 PolarHBondContact O-N 2.93Å; L173-L176 PolarHBondContact O-N 2.88Å; L173-T177 WeakPolarHBondContact O-CG2 3.36Å; L173-T177 PolarHBondContact O-N 3.25Å; L173-T191 HydrophobicContact CD1-CG2 3.73Å; L173-T191 HydrophobicContact CD2-CG2 3.89Å; L173-T191 HydrophobicContact CG-CG2 4.48Å; L173-L192 HydrophobicContact CB-CD1 4.34Å; L173-L192 HydrophobicContact CB-CD2 3.72Å; L173-L192 HydrophobicContact CB-CG 3.83Å; L173-L192 HydrophobicContact CD1-CD2 3.85Å; L173-L192 HydrophobicContact CD1-CG 4.15Å; L173-L192 HydrophobicContact CG-CD2 4.47Å; L173-V195 HydrophobicContact CD1-CG2 4.28Å |
| 174 | C | 91.9 | Very high | 91.8 | Very high | 10 Ų | 10 | 44 Ų | 44 | 7% | 0.068 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -53.4 | -42.2 | 173.9 | -64.6 | 0 | 0 | 0 | 0 | 111.8 | V170 P171 T177 L207 L212 R216 | V170-C174 PolarHBondContact O-N 3.31Å; V170-C174 PolarHBondContact O-SG 3.45Å; P171-C174 WeakPolarHBondContact O-CB 3.49Å; P171-C174 PolarHBondContact O-N 3.14Å; C174-T177 PolarHBondContact O-OG1 3.24Å; C174-L207 WeakPolarHBondContact SG-CD2 3.22Å; C174-L212 HydrophobicContact CB-CD1 4.45Å; C174-L212 HydrophobicContact CB-CD2 4.33Å; C174-R216 PolarHBondContact O-NH2 3.07Å |
| 175 | S | 92.8 | Very high | 92.2 | Very high | 84 Ų | 84 | 47.4 Ų | 47.4 | 59% | 0.587 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -63.7 | -43.6 | 175.2 | -168.4 | 0 | 0 | 0 | 0 | 112.1 | P171 H172 L173 T177 G178 | P171-S175 PolarHBondContact O-N 3.49Å; P171-S175 VanDerWaalsContact O-N 3.16Å; H172-S175 WeakPolarHBondContact O-CB 3.26Å; H172-S175 PolarHBondContact O-N 3.13Å; L173-S175 PolarHBondContact O-N 2.93Å; S175-T177 VanDerWaalsContact C-N 3.35Å; S175-T177 PolarHBondContact O-N 2.73Å; S175-G178 PolarHBondContact O-N 3Å; S175-G178 VanDerWaalsContact O-N 3.1Å |
| 176 | L | 94.7 | Very high | 92.5 | Very high | 9 Ų | 9 | 49.1 Ų | 49.1 | 5% | 0.047 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.7 | -21.8 | -177.8 | -72.3 | -172.7 | 0 | 0 | 0 | 114.7 | F137 R145 H172 L173 G178 D179 V184 S188 | F137-L176 HydrophobicContact CB-CD1 4.32Å; F137-L176 HydrophobicContact CD1-CD1 3.73Å; F137-L176 HydrophobicContact CG-CD1 4.5Å; F137-L176 WeakPolarHBondContact O-CD2 3.32Å; R145-L176 HydrophobicContact CB-CD1 4.46Å; H172-L176 PolarHBondContact O-N 3.2Å; H172-L176 VanDerWaalsContact O-N 3.08Å; L173-L176 PolarHBondContact O-N 2.88Å; L176-G178 PolarHBondContact O-N 3.04Å; L176-D179 HydrophobicContact CD2-CB 4.36Å; L176-D179 VanDerWaalsContact O-CB 3.3Å; L176-D179 WeakPolarHBondContact O-CB 3.34Å; L176-D179 PolarHBondContact O-N 3.34Å; L176-V184 HydrophobicContact CB-CG1 4.2Å; L176-V184 HydrophobicContact CD1-CG1 4.03Å; L176-V184 HydrophobicContact CD2-CG1 3.83Å; L176-V184 HydrophobicContact CG-CG1 4.25Å; L176-S188 PolarHBondContact O-OG 3.44Å |
| 177 | T | 93.3 | Very high | 92.9 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 3% | 0.025 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -4.5 | 168.5 | 66.9 | 0 | 0 | 0 | 0 | 113.1 | L173 C174 S175 S188 I189 L192 R216 I220 | L173-T177 WeakPolarHBondContact O-CG2 3.36Å; L173-T177 PolarHBondContact O-N 3.25Å; C174-T177 PolarHBondContact O-OG1 3.24Å; S175-T177 VanDerWaalsContact C-N 3.35Å; S175-T177 PolarHBondContact O-N 2.73Å; T177-S188 PolarHBondContact N-OG 3.49Å; T177-S188 VanDerWaalsContact N-OG 3.13Å; T177-I189 HydrophobicContact CG2-CG1 3.6Å; T177-L192 HydrophobicContact CG2-CD1 3.57Å; T177-R216 VanDerWaalsContact C-NH2 3.31Å; T177-R216 PolarHBondContact O-NE 2.94Å; T177-R216 VanDerWaalsContact O-NE 3.13Å; T177-R216 PolarHBondContact OG1-NH2 3.44Å; T177-I220 HydrophobicContact CG2-CD1 4.1Å |
| 178 | G | 91.1 | Very high | 93.4 | Very high | 39 Ų | 39 | 45 Ų | 45 | 40% | 0.402 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | 16 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S175 L176 R216 | S175-G178 PolarHBondContact O-N 3Å; S175-G178 VanDerWaalsContact O-N 3.1Å; L176-G178 PolarHBondContact O-N 3.04Å; G178-R216 VanDerWaalsContact N-NH2 3.18Å |
| 179 | D | 95.5 | Very high | 93.6 | Very high | 21 Ų | 21 | 40.4 Ų | 40.4 | 11% | 0.112 | 22% | 0.222 | C | C | . | . | trans | -59.7 | 153 | 177 | -162.7 | -75.1 | 0 | 0 | 0 | 111.7 | R145 L176 N181 V184 R185 | R145-D179 IonicContact CZ-OD1 3.68Å; R145-D179 IonicContact CZ-OD2 2.7Å; R145-D179 IonicContact NE-OD2 3.61Å; R145-D179 PolarHBondContact NE-OD2 3.25Å; R145-D179 VanDerWaalsContact NH2-CG 3.28Å; R145-D179 IonicContact NH2-OD1 2.75Å; R145-D179 PolarHBondContact NH2-OD1 2.63Å; R145-D179 IonicContact NH2-OD2 2.81Å; R145-D179 PolarHBondContact NH2-OD2 3.12Å; L176-D179 HydrophobicContact CD2-CB 4.36Å; L176-D179 VanDerWaalsContact O-CB 3.3Å; L176-D179 WeakPolarHBondContact O-CB 3.34Å; L176-D179 PolarHBondContact O-N 3.34Å; D179-N181 VanDerWaalsContact C-N 3.31Å; D179-N181 PolarHBondContact O-N 2.81Å; D179-N181 PolarHBondContact OD1-N 2.96Å; D179-V184 HydrophobicContact CB-CB 3.87Å; D179-V184 HydrophobicContact CB-CG1 3.77Å; D179-R185 HydrophobicContact CB-CG 4.16Å; D179-R185 VanDerWaalsContact O-CD 3.27Å; D179-R185 WeakPolarHBondContact O-CD 3.08Å; D179-R185 WeakPolarHBondContact O-CG 3.37Å; D179-R185 PolarHBondContact O-NH1 3.41Å | ||
| 180 | Q | 94.3 | Very high | 93.8 | Very high | 191 Ų | 191 | 43.4 Ų | 43.4 | 89% | 0.893 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -64.1 | -37.3 | 176 | -62 | 178.9 | 8.6 | 0 | 0 | 111.5 | R185 | Q180-R185 PolarHBondContact O-NH1 2.86Š|
| 181 | N | 95.1 | Very high | 94 | Very high | 32 Ų | 32 | 43.1 Ų | 43.1 | 17% | 0.171 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -84.3 | 130.1 | -178.5 | -174.8 | -63.6 | 0 | 0 | 0 | 111.5 | F142 D179 Q183 V184 R185 | F142-N181 HydrophobicContact CB-CB 4.08Å; F142-N181 HydrophobicContact CD2-CB 4.47Å; F142-N181 WeakPolarHBondContact CD2-ND2 3.34Å; F142-N181 WeakPolarHBondContact CE2-ND2 3.42Å; F142-N181 HydrophobicContact CG-CB 4.38Å; F142-N181 WeakPolarHBondContact CG-ND2 3.23Å; D179-N181 VanDerWaalsContact C-N 3.31Å; D179-N181 PolarHBondContact O-N 2.81Å; D179-N181 PolarHBondContact OD1-N 2.96Å; N181-Q183 PolarHBondContact O-N 3.37Å; N181-Q183 VanDerWaalsContact OD1-CB 3.3Å; N181-Q183 WeakPolarHBondContact OD1-CB 3.41Å; N181-Q183 PolarHBondContact OD1-N 2.95Å; N181-V184 HydrophobicContact CB-CG2 4.08Å; N181-V184 PolarHBondContact O-N 3.49Å; N181-R185 PolarHBondContact O-N 3.06Å |
| 182 | P | 93.7 | Very high | 94.1 | Very high | 73 Ų | 73 | 40.4 Ų | 40.4 | 47% | 0.474 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63 | -35.3 | -178.7 | 25.4 | -34.3 | 0 | 0 | 0 | 114.2 | V184 R185 E186 | P182-V184 VanDerWaalsContact C-N 3.32Å; P182-V184 PolarHBondContact O-N 3.25Å; P182-R185 WeakPolarHBondContact O-CB 3.29Å; P182-R185 PolarHBondContact O-N 3.17Å; P182-E186 PolarHBondContact O-N 3.33Å |
| 183 | Q | 92.7 | Very high | 94.1 | Very high | 87 Ų | 87 | 38.5 Ų | 38.5 | 41% | 0.407 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.1 | -39.7 | -179.9 | -61.8 | -179.7 | -113.6 | 0 | 0 | 111.3 | E146 N181 R185 E186 A187 | E146-Q183 WeakPolarHBondContact OE1-CB 3.25Å; E146-Q183 PolarHBondContact OE1-NE2 3.43Å; E146-Q183 PolarHBondContact OE2-NE2 3.03Å; N181-Q183 PolarHBondContact O-N 3.37Å; N181-Q183 VanDerWaalsContact OD1-CB 3.3Å; N181-Q183 WeakPolarHBondContact OD1-CB 3.41Å; N181-Q183 PolarHBondContact OD1-N 2.95Å; Q183-R185 VanDerWaalsContact C-N 3.32Å; Q183-R185 PolarHBondContact O-N 2.64Å; Q183-E186 PolarHBondContact O-N 2.99Å; Q183-A187 WeakPolarHBondContact O-CB 3.31Å; Q183-A187 PolarHBondContact O-N 2.65Å |
| 184 | V | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.3 | -33.9 | 177.5 | -174.8 | 0 | 0 | 0 | 0 | 111.2 | F142 R145 E146 L176 D179 N181 P182 S188 | F142-V184 HydrophobicContact CB-CG2 3.95Å; F142-V184 HydrophobicContact CD2-CG2 4.45Å; F142-V184 WeakPolarHBondContact O-CG2 3.39Å; R145-V184 HydrophobicContact CB-CG1 3.77Å; R145-V184 HydrophobicContact CB-CG2 4.1Å; E146-V184 HydrophobicContact CB-CG2 4.29Å; L176-V184 HydrophobicContact CB-CG1 4.2Å; L176-V184 HydrophobicContact CD1-CG1 4.03Å; L176-V184 HydrophobicContact CD2-CG1 3.83Å; L176-V184 HydrophobicContact CG-CG1 4.25Å; D179-V184 HydrophobicContact CB-CB 3.87Å; D179-V184 HydrophobicContact CB-CG1 3.77Å; N181-V184 HydrophobicContact CB-CG2 4.08Å; N181-V184 PolarHBondContact O-N 3.49Å; P182-V184 VanDerWaalsContact C-N 3.32Å; P182-V184 PolarHBondContact O-N 3.25Å; V184-S188 WeakPolarHBondContact O-CB 3.32Å; V184-S188 PolarHBondContact O-N 2.85Å; V184-S188 PolarHBondContact O-OG 3.3Å |
| 185 | R | 94.9 | Very high | 93.9 | Very high | 82 Ų | 82 | 39.3 Ų | 39.3 | 31% | 0.309 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.3 | -52.8 | 172.1 | -64.9 | -166.3 | -61 | -89.2 | 4.7 | 111.7 | D179 Q180 N181 P182 Q183 A187 S188 I189 | D179-R185 HydrophobicContact CB-CG 4.16Å; D179-R185 VanDerWaalsContact O-CD 3.27Å; D179-R185 WeakPolarHBondContact O-CD 3.08Å; D179-R185 WeakPolarHBondContact O-CG 3.37Å; D179-R185 PolarHBondContact O-NH1 3.41Å; Q180-R185 PolarHBondContact O-NH1 2.86Å; N181-R185 PolarHBondContact O-N 3.06Å; P182-R185 WeakPolarHBondContact O-CB 3.29Å; P182-R185 PolarHBondContact O-N 3.17Å; Q183-R185 VanDerWaalsContact C-N 3.32Å; Q183-R185 PolarHBondContact O-N 2.64Å; R185-A187 PolarHBondContact O-N 2.78Å; R185-S188 PolarHBondContact O-N 3.02Å; R185-S188 PolarHBondContact O-OG 2.78Å; R185-I189 VanDerWaalsContact O-CG1 3.29Å; R185-I189 WeakPolarHBondContact O-CG1 3.4Å; R185-I189 PolarHBondContact O-N 3.48Å |
| 186 | E | 94.3 | Very high | 93.8 | Very high | 81 Ų | 81 | 35.5 Ų | 35.5 | 38% | 0.379 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.3 | -39.5 | 179.6 | -69.1 | -52.9 | 114.5 | 0 | 0 | 112.3 | P182 Q183 I189 T190 R223 | P182-E186 PolarHBondContact O-N 3.33Å; Q183-E186 PolarHBondContact O-N 2.99Å; E186-I189 PolarHBondContact O-N 3.24Å; E186-T190 WeakPolarHBondContact O-CB 3.44Å; E186-T190 PolarHBondContact O-N 2.92Å; E186-T190 PolarHBondContact O-OG1 2.94Å; E186-R223 IonicContact OE2-NH2 3.21Å; E186-R223 PolarHBondContact OE2-NH2 3.12Å |
| 187 | A | 95 | Very high | 93.5 | Very high | 10 Ų | 10 | 38.3 Ų | 38.3 | 8% | 0.083 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.8 | -43.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | E146 C149 Q183 R185 T190 T191 | E146-A187 HydrophobicContact CG-CB 4.22Å; C149-A187 HydrophobicContact CB-CB 4.03Å; Q183-A187 WeakPolarHBondContact O-CB 3.31Å; Q183-A187 PolarHBondContact O-N 2.65Å; R185-A187 PolarHBondContact O-N 2.78Å; A187-T190 PolarHBondContact O-N 3.31Å; A187-T191 WeakPolarHBondContact O-CB 3.45Å; A187-T191 PolarHBondContact O-N 3.32Å; A187-T191 PolarHBondContact O-OG1 3.3Å |
| 188 | S | 96 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -72.6 | -32.8 | 177.6 | 55.5 | 0 | 0 | 0 | 0 | 113.4 | L176 T177 V184 R185 L192 | L176-S188 PolarHBondContact O-OG 3.44Å; T177-S188 PolarHBondContact N-OG 3.49Å; T177-S188 VanDerWaalsContact N-OG 3.13Å; V184-S188 WeakPolarHBondContact O-CB 3.32Å; V184-S188 PolarHBondContact O-N 2.85Å; V184-S188 PolarHBondContact O-OG 3.3Å; R185-S188 PolarHBondContact O-N 3.02Å; R185-S188 PolarHBondContact O-OG 2.78Å; S188-L192 WeakPolarHBondContact O-CG 3.16Å; S188-L192 PolarHBondContact O-N 2.93Å |
| 189 | I | 94.3 | Very high | 92.9 | Very high | 8 Ų | 8 | 40.6 Ų | 40.6 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.6 | -46 | 168.7 | -67.8 | 168.4 | 0 | 0 | 0 | 109.9 | T177 R185 E186 T191 L192 V193 M219 I220 R223 | T177-I189 HydrophobicContact CG2-CG1 3.6Å; R185-I189 VanDerWaalsContact O-CG1 3.29Å; R185-I189 WeakPolarHBondContact O-CG1 3.4Å; R185-I189 PolarHBondContact O-N 3.48Å; E186-I189 PolarHBondContact O-N 3.24Å; I189-T191 PolarHBondContact O-N 2.92Å; I189-L192 WeakPolarHBondContact O-CB 3.48Å; I189-L192 PolarHBondContact O-N 3.12Å; I189-L192 VanDerWaalsContact O-N 3.15Å; I189-V193 WeakPolarHBondContact O-CG2 3.5Å; I189-V193 PolarHBondContact O-N 3.34Å; I189-M219 HydrophobicContact CD1-SD 4.09Å; I189-I220 HydrophobicContact CG1-CG1 4.28Å; I189-R223 HydrophobicContact CG2-CG 4.13Å |
| 190 | T | 94.1 | Very high | 92.4 | Very high | 65 Ų | 65 | 39.9 Ų | 39.9 | 40% | 0.399 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.7 | -44.5 | 177.6 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | E186 A187 L192 V193 D194 | E186-T190 WeakPolarHBondContact O-CB 3.44Å; E186-T190 PolarHBondContact O-N 2.92Å; E186-T190 PolarHBondContact O-OG1 2.94Å; A187-T190 PolarHBondContact O-N 3.31Å; T190-L192 VanDerWaalsContact C-N 3.31Å; T190-L192 PolarHBondContact O-N 3.48Å; T190-V193 WeakPolarHBondContact O-CA 3.41Å; T190-V193 WeakPolarHBondContact O-CB 3.37Å; T190-V193 PolarHBondContact O-N 2.98Å; T190-D194 PolarHBondContact O-N 3.02Å |
| 191 | T | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.4 | -33 | 176.5 | -48 | 0 | 0 | 0 | 0 | 112.1 | C149 L152 S153 L173 A187 I189 D194 V195 | C149-T191 WeakPolarHBondContact CB-OG1 3.34Å; C149-T191 PolarHBondContact O-OG1 2.84Å; L152-T191 HydrophobicContact CB-CG2 3.84Å; L152-T191 HydrophobicContact CD2-CG2 3.87Å; L152-T191 HydrophobicContact CG-CG2 3.82Å; S153-T191 PolarHBondContact OG-OG1 3.37Å; L173-T191 HydrophobicContact CD1-CG2 3.73Å; L173-T191 HydrophobicContact CD2-CG2 3.89Å; L173-T191 HydrophobicContact CG-CG2 4.48Å; A187-T191 WeakPolarHBondContact O-CB 3.45Å; A187-T191 PolarHBondContact O-N 3.32Å; A187-T191 PolarHBondContact O-OG1 3.3Å; I189-T191 PolarHBondContact O-N 2.92Å; T191-D194 PolarHBondContact O-N 3.17Å; T191-V195 WeakPolarHBondContact O-CG2 3.46Å; T191-V195 PolarHBondContact O-N 2.87Å |
| 192 | L | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.6 | -36.2 | 171 | -76 | 171.1 | 0 | 0 | 0 | 112.2 | V170 L173 T177 S188 I189 T190 V195 Y196 I220 F224 | V170-L192 HydrophobicContact CG1-CD2 3.79Å; V170-L192 HydrophobicContact CG2-CD2 4.48Å; L173-L192 HydrophobicContact CB-CD1 4.34Å; L173-L192 HydrophobicContact CB-CD2 3.72Å; L173-L192 HydrophobicContact CB-CG 3.83Å; L173-L192 HydrophobicContact CD1-CD2 3.85Å; L173-L192 HydrophobicContact CD1-CG 4.15Å; L173-L192 HydrophobicContact CG-CD2 4.47Å; T177-L192 HydrophobicContact CG2-CD1 3.57Å; S188-L192 WeakPolarHBondContact O-CG 3.16Å; S188-L192 PolarHBondContact O-N 2.93Å; I189-L192 WeakPolarHBondContact O-CB 3.48Å; I189-L192 PolarHBondContact O-N 3.12Å; I189-L192 VanDerWaalsContact O-N 3.15Å; T190-L192 VanDerWaalsContact C-N 3.31Å; T190-L192 PolarHBondContact O-N 3.48Å; L192-V195 PolarHBondContact O-N 3.14Å; L192-Y196 WeakPolarHBondContact O-CB 3.47Å; L192-Y196 PolarHBondContact O-N 3.23Å; L192-I220 HydrophobicContact CD1-CD1 4.18Å; L192-F224 HydrophobicContact CB-CE1 4.34Å; L192-F224 HydrophobicContact CB-CZ 4.47Å; L192-F224 WeakPolarHBondContact O-CE1 3.27Å |
| 193 | V | 92.3 | Very high | 91.2 | Very high | 12 Ų | 12 | 39 Ų | 39 | 7% | 0.073 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.9 | -43.5 | 171.8 | 177.5 | 0 | 0 | 0 | 0 | 110 | I189 T190 V195 Y196 R197 R223 F224 A227 | I189-V193 WeakPolarHBondContact O-CG2 3.5Å; I189-V193 PolarHBondContact O-N 3.34Å; T190-V193 WeakPolarHBondContact O-CA 3.41Å; T190-V193 WeakPolarHBondContact O-CB 3.37Å; T190-V193 PolarHBondContact O-N 2.98Å; V193-V195 PolarHBondContact O-N 2.74Å; V193-Y196 CarbonylContact O-C 3.53Å; V193-Y196 WeakPolarHBondContact O-CA 3.45Å; V193-Y196 WeakPolarHBondContact O-CB 3.29Å; V193-Y196 PolarHBondContact O-N 3.4Å; V193-Y196 VanDerWaalsContact O-N 3.1Å; V193-R197 HydrophobicContact CG1-CG 4.44Å; V193-R197 WeakPolarHBondContact O-CG 3.32Å; V193-R197 PolarHBondContact O-N 2.99Å; V193-R223 HydrophobicContact CG2-CB 3.7Å; V193-F224 HydrophobicContact CG2-CD1 4.04Å; V193-F224 HydrophobicContact CG2-CE1 4.17Å; V193-A227 HydrophobicContact CG1-CB 3.67Å |
| 194 | D | 90.6 | Very high | 90.9 | Very high | 28 Ų | 28 | 36.9 Ų | 36.9 | 15% | 0.15 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.9 | -43.1 | 176.7 | -62.5 | -35.2 | 0 | 0 | 0 | 112.2 | S153 L156 T190 T191 Y196 R197 H198 | S153-D194 VanDerWaalsContact CB-OD2 3.25Å; S153-D194 WeakPolarHBondContact CB-OD2 3.17Å; S153-D194 PolarHBondContact OG-OD2 3.44Å; L156-D194 HydrophobicContact CD1-CB 4.21Å; T190-D194 PolarHBondContact O-N 3.02Å; T191-D194 PolarHBondContact O-N 3.17Å; D194-Y196 VanDerWaalsContact C-N 3.3Å; D194-Y196 PolarHBondContact O-N 3.15Å; D194-R197 WeakPolarHBondContact O-CB 3.32Å; D194-R197 PolarHBondContact O-N 3.4Å; D194-R197 VanDerWaalsContact O-N 3.14Å; D194-R197 IonicContact OD1-CZ 3.86Å; D194-R197 IonicContact OD1-NH1 3.21Å; D194-R197 PolarHBondContact OD1-NH1 3.3Å; D194-H198 PolarHBondContact O-CD2 2.73Å; D194-H198 VanDerWaalsContact O-CD2 3.23Å; D194-H198 PolarHBondContact O-N 3.12Å |
| 195 | V | 91.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.2 | -40.8 | 171.2 | 169.1 | 0 | 0 | 0 | 0 | 111.5 | L156 L166 V170 L173 T191 L192 V193 H198 V199 V203 | L156-V195 HydrophobicContact CD1-CG2 3.6Å; L166-V195 HydrophobicContact CD1-CG1 4.22Å; L166-V195 HydrophobicContact CD2-CG2 4.28Å; V170-V195 HydrophobicContact CG2-CG1 3.7Å; L173-V195 HydrophobicContact CD1-CG2 4.28Å; T191-V195 WeakPolarHBondContact O-CG2 3.46Å; T191-V195 PolarHBondContact O-N 2.87Å; L192-V195 PolarHBondContact O-N 3.14Å; V193-V195 PolarHBondContact O-N 2.74Å; V195-H198 PolarHBondContact O-N 3.08Å; V195-V199 WeakPolarHBondContact O-CB 3.3Å; V195-V199 WeakPolarHBondContact O-CG2 3.34Å; V195-V199 PolarHBondContact O-N 2.93Å; V195-V199 VanDerWaalsContact O-N 3.13Å; V195-V203 HydrophobicContact CG1-CG1 4.21Å; V195-V203 HydrophobicContact CG1-CG2 3.8Å |
| 196 | Y | 90.4 | Very high | 89.8 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.3 | -39.3 | 174.2 | -176.2 | -95.1 | 0 | 0 | 0 | 112.3 | L192 V193 D194 H198 V199 G200 E201 V203 R204 F224 L228 M233 | L192-Y196 WeakPolarHBondContact O-CB 3.47Å; L192-Y196 PolarHBondContact O-N 3.23Å; V193-Y196 CarbonylContact O-C 3.53Å; V193-Y196 WeakPolarHBondContact O-CA 3.45Å; V193-Y196 WeakPolarHBondContact O-CB 3.29Å; V193-Y196 PolarHBondContact O-N 3.4Å; V193-Y196 VanDerWaalsContact O-N 3.1Å; D194-Y196 VanDerWaalsContact C-N 3.3Å; D194-Y196 PolarHBondContact O-N 3.15Å; Y196-H198 VanDerWaalsContact C-N 3.3Å; Y196-H198 PolarHBondContact O-N 3.08Å; Y196-V199 PolarHBondContact O-N 2.97Å; Y196-G200 WeakPolarHBondContact CD2-O 3.36Å; Y196-G200 WeakPolarHBondContact CE2-O 3.4Å; Y196-G200 VanDerWaalsContact O-CA 3.24Å; Y196-G200 WeakPolarHBondContact O-CA 3.46Å; Y196-G200 PolarHBondContact O-N 2.98Å; Y196-E201 PolarHBondContact OH-OE2 3.37Å; Y196-V203 HydrophobicContact CD2-CB 4.17Å; Y196-V203 HydrophobicContact CD2-CG1 4.46Å; Y196-R204 HydrophobicContact CD2-CB 4.46Å; Y196-R204 HydrophobicContact CE2-CB 3.91Å; Y196-F224 HydrophobicContact CD1-CB 3.91Å; Y196-F224 HydrophobicContact CD1-CD1 4.18Å; Y196-F224 HydrophobicContact CD1-CD2 4.35Å; Y196-F224 AromaticContact CD1-CG 3.91Å; Y196-F224 HydrophobicContact CD1-CG 3.91Å; Y196-F224 HydrophobicContact CD2-CB 4.33Å; Y196-F224 HydrophobicContact CD2-CD1 4.32Å; Y196-F224 AromaticContact CD2-CD2 3.36Å; Y196-F224 HydrophobicContact CD2-CD2 3.36Å; Y196-F224 HydrophobicContact CD2-CE1 4.48Å; Y196-F224 AromaticContact CD2-CE2 3.54Å; Y196-F224 HydrophobicContact CD2-CE2 3.54Å; Y196-F224 AromaticContact CD2-CG 3.78Å; Y196-F224 HydrophobicContact CD2-CG 3.78Å; Y196-F224 HydrophobicContact CD2-CZ 4.11Å; Y196-F224 HydrophobicContact CE1-CB 3.86Å; Y196-F224 HydrophobicContact CE1-CG 4.28Å; Y196-F224 HydrophobicContact CE2-CB 4.29Å; Y196-F224 AromaticContact CE2-CD2 3.68Å; Y196-F224 HydrophobicContact CE2-CD2 3.68Å; Y196-F224 HydrophobicContact CE2-CE2 4.22Å; Y196-F224 HydrophobicContact CE2-CG 4.16Å; Y196-F224 HydrophobicContact CG-CB 4.15Å; Y196-F224 AromaticContact CG-CD1 3.84Å; Y196-F224 HydrophobicContact CG-CD1 3.84Å; Y196-F224 AromaticContact CG-CD2 3.74Å; Y196-F224 HydrophobicContact CG-CD2 3.74Å; Y196-F224 HydrophobicContact CG-CE1 4.09Å; Y196-F224 AromaticContact CG-CE2 3.98Å; Y196-F224 HydrophobicContact CG-CE2 3.98Å; Y196-F224 AromaticContact CG-CG 3.65Å; Y196-F224 HydrophobicContact CG-CG 3.65Å; Y196-F224 HydrophobicContact CG-CZ 4.15Å; Y196-L228 HydrophobicContact CE1-CD2 3.89Å; Y196-L228 HydrophobicContact CE1-CG 3.91Å; Y196-M233 HydrophobicContact CD1-CE 3.86Å; Y196-M233 HydrophobicContact CD1-SD 4.07Å; Y196-M233 HydrophobicContact CE1-CE 3.66Å; Y196-M233 HydrophobicContact CE1-SD 3.98Å; Y196-M233 WeakPolarHBondContact O-CE 3.39Å |
| 197 | R | 89.8 | Confident | 89.4 | Confident | 68 Ų | 68 | 34.4 Ų | 34.4 | 26% | 0.257 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -58.1 | -39.2 | 177.3 | -70.9 | 173 | 168.3 | 140.6 | -4 | 112.6 | V193 D194 A227 N232 M233 A234 | V193-R197 HydrophobicContact CG1-CG 4.44Å; V193-R197 WeakPolarHBondContact O-CG 3.32Å; V193-R197 PolarHBondContact O-N 2.99Å; D194-R197 WeakPolarHBondContact O-CB 3.32Å; D194-R197 PolarHBondContact O-N 3.4Å; D194-R197 VanDerWaalsContact O-N 3.14Å; D194-R197 IonicContact OD1-CZ 3.86Å; D194-R197 IonicContact OD1-NH1 3.21Å; D194-R197 PolarHBondContact OD1-NH1 3.3Å; R197-A227 HydrophobicContact CG-CB 4.4Å; R197-N232 WeakPolarHBondContact CD-O 3.41Å; R197-N232 WeakPolarHBondContact CG-O 3.4Å; R197-N232 PolarHBondContact NE-O 3.37Å; R197-M233 HydrophobicContact CG-SD 4.31Å; R197-M233 CarbonylContact O-C 3.47Å; R197-A234 HydrophobicContact CB-CB 4.44Å; R197-A234 PolarHBondContact O-N 2.79Å |
| 198 | H | 85.4 | Confident | 88.6 | Confident | 43 Ų | 43 | 36 Ų | 36 | 20% | 0.199 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -85.6 | -27.5 | -179.5 | -68.9 | -79.7 | 0 | 0 | 0 | 114.8 | L156 A161 D194 V195 Y196 A234 | L156-H198 PolarHBondContact O-CE1 2.87Å; L156-H198 PolarHBondContact O-NE2 2.65Å; A161-H198 HydrophobicContact CB-CB 3.72Å; D194-H198 PolarHBondContact O-CD2 2.73Å; D194-H198 VanDerWaalsContact O-CD2 3.23Å; D194-H198 PolarHBondContact O-N 3.12Å; V195-H198 PolarHBondContact O-N 3.08Å; Y196-H198 VanDerWaalsContact C-N 3.3Å; Y196-H198 PolarHBondContact O-N 3.08Å; H198-A234 VanDerWaalsContact CE1-CB 3.46Å; H198-A234 WeakPolarHBondContact CE1-CB 3.37Å; H198-A234 VanDerWaalsContact ND1-CB 3.34Å; H198-A234 WeakPolarHBondContact ND1-CB 3.4Å |
| 199 | V | 86.3 | Confident | 88 | Confident | 47 Ų | 47 | 43.7 Ų | 43.7 | 29% | 0.285 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -113.2 | -20.1 | -170.8 | -175.3 | 0 | 0 | 0 | 0 | 113.1 | A161 L166 V195 Y196 K202 V203 | A161-V199 HydrophobicContact CB-CG2 3.9Å; L166-V199 HydrophobicContact CD1-CG2 3.61Å; V195-V199 WeakPolarHBondContact O-CB 3.3Å; V195-V199 WeakPolarHBondContact O-CG2 3.34Å; V195-V199 PolarHBondContact O-N 2.93Å; V195-V199 VanDerWaalsContact O-N 3.13Å; Y196-V199 PolarHBondContact O-N 2.97Å; V199-K202 HydrophobicContact CG1-CB 4.24Å; V199-V203 HydrophobicContact CB-CG2 3.65Å; V199-V203 HydrophobicContact CG1-CG2 3.69Å; V199-V203 HydrophobicContact CG2-CG2 4.39Å |
| 200 | G | 85.1 | Confident | 87.3 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 7% | 0.072 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | -148.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y196 K202 V203 | Y196-G200 WeakPolarHBondContact CD2-O 3.36Å; Y196-G200 WeakPolarHBondContact CE2-O 3.4Å; Y196-G200 VanDerWaalsContact O-CA 3.24Å; Y196-G200 WeakPolarHBondContact O-CA 3.46Å; Y196-G200 PolarHBondContact O-N 2.98Å; G200-K202 PolarHBondContact O-N 3.25Å; G200-V203 PolarHBondContact O-N 3.02Å |
| 201 | E | 85.8 | Confident | 86.3 | Confident | 102 Ų | 102 | 47.2 Ų | 47.2 | 48% | 0.477 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.9 | -20.2 | -163 | -166.1 | 51.9 | -153.5 | 0 | 0 | 115.7 | Y196 V203 R204 A205 | Y196-E201 PolarHBondContact OH-OE2 3.37Å; E201-V203 PolarHBondContact O-N 3.34Å; E201-R204 PolarHBondContact O-N 3.39Å; E201-R204 VanDerWaalsContact O-N 3.13Å; E201-R204 WeakPolarHBondContact OE1-CB 3.28Å; E201-R204 VanDerWaalsContact OE1-CD 3.22Å; E201-R204 WeakPolarHBondContact OE1-CD 3.44Å; E201-R204 VanDerWaalsContact OE2-CD 3.29Å; E201-R204 WeakPolarHBondContact OE2-CD 3.26Å; E201-A205 PolarHBondContact O-N 2.85Å |
| 202 | K | 84.7 | Confident | 85.9 | Confident | 163 Ų | 163 | 48.5 Ų | 48.5 | 71% | 0.709 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -55.5 | -37.8 | 171.1 | -63.9 | 178 | 179.4 | 176.3 | 0 | 111.9 | V199 G200 D206 | V199-K202 HydrophobicContact CG1-CB 4.24Å; G200-K202 PolarHBondContact O-N 3.25Å; K202-D206 WeakPolarHBondContact O-CB 3.36Å; K202-D206 PolarHBondContact O-N 3.43Å |
| 203 | V | 86.5 | Confident | 85.6 | Confident | 13 Ų | 13 | 51.8 Ų | 51.8 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.9 | -36 | 179.1 | 171.9 | 0 | 0 | 0 | 0 | 111.8 | V195 Y196 V199 G200 E201 D206 L207 F224 | V195-V203 HydrophobicContact CG1-CG1 4.21Å; V195-V203 HydrophobicContact CG1-CG2 3.8Å; Y196-V203 HydrophobicContact CD2-CB 4.17Å; Y196-V203 HydrophobicContact CD2-CG1 4.46Å; V199-V203 HydrophobicContact CB-CG2 3.65Å; V199-V203 HydrophobicContact CG1-CG2 3.69Å; V199-V203 HydrophobicContact CG2-CG2 4.39Å; G200-V203 PolarHBondContact O-N 3.02Å; E201-V203 PolarHBondContact O-N 3.34Å; V203-D206 PolarHBondContact O-N 2.88Å; V203-L207 HydrophobicContact CG1-CD1 3.89Å; V203-L207 WeakPolarHBondContact O-CB 3.31Å; V203-L207 WeakPolarHBondContact O-CG 3.37Å; V203-L207 PolarHBondContact O-N 3.35Å; V203-F224 HydrophobicContact CG1-CE2 4.22Å; V203-F224 HydrophobicContact CG1-CZ 4.1Å |
| 204 | R | 87.3 | Confident | 85.3 | Confident | 41 Ų | 41 | 54.8 Ų | 54.8 | 16% | 0.155 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68 | -45 | 176.9 | -168.1 | 169.2 | -168 | 166 | -0.6 | 111.3 | Y196 E201 D206 L207 G208 F221 F224 D225 | Y196-R204 HydrophobicContact CD2-CB 4.46Å; Y196-R204 HydrophobicContact CE2-CB 3.91Å; E201-R204 PolarHBondContact O-N 3.39Å; E201-R204 VanDerWaalsContact O-N 3.13Å; E201-R204 WeakPolarHBondContact OE1-CB 3.28Å; E201-R204 VanDerWaalsContact OE1-CD 3.22Å; E201-R204 WeakPolarHBondContact OE1-CD 3.44Å; E201-R204 VanDerWaalsContact OE2-CD 3.29Å; E201-R204 WeakPolarHBondContact OE2-CD 3.26Å; R204-D206 VanDerWaalsContact C-N 3.31Å; R204-D206 PolarHBondContact O-N 3.4Å; R204-L207 PolarHBondContact O-N 2.95Å; R204-G208 PolarHBondContact O-N 3.26Å; R204-F221 HydrophobicContact CB-CE1 4.42Å; R204-F221 HydrophobicContact CG-CD1 3.84Å; R204-F221 HydrophobicContact CG-CE1 3.51Å; R204-F221 HydrophobicContact CG-CE2 4.22Å; R204-F221 HydrophobicContact CG-CG 4.33Å; R204-F221 HydrophobicContact CG-CZ 3.71Å; R204-F224 HydrophobicContact CB-CD2 4.13Å; R204-F224 HydrophobicContact CB-CE2 4.27Å; R204-F224 HydrophobicContact CG-CD2 4.17Å; R204-D225 IonicContact CZ-OD1 3.36Å; R204-D225 IonicContact CZ-OD2 3.23Å; R204-D225 IonicContact NH1-OD1 2.84Å; R204-D225 PolarHBondContact NH1-OD1 3.5Å; R204-D225 IonicContact NH1-OD2 2.79Å; R204-D225 IonicContact NH2-OD1 3.25Å; R204-D225 PolarHBondContact NH2-OD1 3.08Å; R204-D225 IonicContact NH2-OD2 2.88Å; R204-D225 PolarHBondContact NH2-OD2 3.09Å |
| 205 | A | 84.2 | Confident | 85.1 | Confident | 50 Ų | 50 | 57.3 Ų | 57.3 | 41% | 0.413 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.4 | -36.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | E201 K209 | E201-A205 PolarHBondContact O-N 2.85Å; A205-K209 WeakPolarHBondContact O-CE 3.39Å; A205-K209 WeakPolarHBondContact O-CG 3.12Å |
| 206 | D | 83.8 | Confident | 84.9 | Confident | 62 Ų | 62 | 60.8 Ų | 60.8 | 33% | 0.332 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -74.5 | -35.8 | 176.5 | -102.8 | 28.3 | 0 | 0 | 0 | 113.5 | K202 V203 R204 K209 R210 | K202-D206 WeakPolarHBondContact O-CB 3.36Å; K202-D206 PolarHBondContact O-N 3.43Å; V203-D206 PolarHBondContact O-N 2.88Å; R204-D206 VanDerWaalsContact C-N 3.31Å; R204-D206 PolarHBondContact O-N 3.4Å; D206-K209 PolarHBondContact O-N 3.36Å; D206-K209 IonicContact OD1-NZ 3.86Å; D206-R210 VanDerWaalsContact O-CD 3.26Å; D206-R210 WeakPolarHBondContact O-CD 3.46Å; D206-R210 VanDerWaalsContact O-CG 3.23Å; D206-R210 WeakPolarHBondContact O-CG 3.48Å; D206-R210 PolarHBondContact O-NE 3.1Å; D206-R210 VanDerWaalsContact O-NE 3.13Å; D206-R210 IonicContact OD2-NH2 2.71Å; D206-R210 PolarHBondContact OD2-NH2 2.92Å; D206-R210 VanDerWaalsContact OD2-NH2 3.12Å |
| 207 | L | 85.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 173.9 | -86.2 | 159.8 | 0 | 0 | 0 | 112.1 | C174 V203 R204 K209 R210 L212 L217 I220 F221 F224 | C174-L207 WeakPolarHBondContact SG-CD2 3.22Å; V203-L207 HydrophobicContact CG1-CD1 3.89Å; V203-L207 WeakPolarHBondContact O-CB 3.31Å; V203-L207 WeakPolarHBondContact O-CG 3.37Å; V203-L207 PolarHBondContact O-N 3.35Å; R204-L207 PolarHBondContact O-N 2.95Å; L207-K209 PolarHBondContact O-N 2.89Å; L207-R210 PolarHBondContact O-N 2.92Å; L207-R210 VanDerWaalsContact O-N 3.09Å; L207-L212 HydrophobicContact CD2-CD1 3.67Å; L207-L217 HydrophobicContact CB-CD1 4.06Å; L207-I220 HydrophobicContact CD1-CG2 4.09Å; L207-F221 HydrophobicContact CB-CE1 4.07Å; L207-F224 HydrophobicContact CD1-CE2 3.5Å; L207-F224 HydrophobicContact CD1-CZ 3.41Å; L207-F224 VanDerWaalsContact CD1-CZ 3.41Å |
| 208 | G | 78.7 | Confident | 84.9 | Confident | 42 Ų | 42 | 64.7 Ų | 64.7 | 43% | 0.433 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.4 | -29.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | R204 | R204-G208 PolarHBondContact O-N 3.26Å |
| 209 | K | 83.1 | Confident | 85.1 | Confident | 162 Ų | 162 | 67.5 Ų | 67.5 | 70% | 0.704 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -10.1 | 179.2 | -62.5 | 167.1 | -165.3 | 162.5 | 0 | 114.1 | A205 D206 L207 | A205-K209 WeakPolarHBondContact O-CE 3.39Å; A205-K209 WeakPolarHBondContact O-CG 3.12Å; D206-K209 PolarHBondContact O-N 3.36Å; D206-K209 IonicContact OD1-NZ 3.86Å; L207-K209 PolarHBondContact O-N 2.89Å |
| 210 | R | 79.2 | Confident | 85.4 | Confident | 75 Ų | 75 | 65.3 Ų | 65.3 | 28% | 0.283 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 10.2 | -168.1 | -71.8 | 166.4 | -167.1 | -132.1 | -1.4 | 115.1 | P171 D206 L207 L212 | P171-R210 VanDerWaalsContact CD-NH1 3.25Å; P171-R210 VanDerWaalsContact CG-NH1 3.34Å; P171-R210 VanDerWaalsContact N-NH1 3.19Å; D206-R210 VanDerWaalsContact O-CD 3.26Å; D206-R210 WeakPolarHBondContact O-CD 3.46Å; D206-R210 VanDerWaalsContact O-CG 3.23Å; D206-R210 WeakPolarHBondContact O-CG 3.48Å; D206-R210 PolarHBondContact O-NE 3.1Å; D206-R210 VanDerWaalsContact O-NE 3.13Å; D206-R210 IonicContact OD2-NH2 2.71Å; D206-R210 PolarHBondContact OD2-NH2 2.92Å; D206-R210 VanDerWaalsContact OD2-NH2 3.12Å; L207-R210 PolarHBondContact O-N 2.92Å; L207-R210 VanDerWaalsContact O-N 3.09Å; R210-L212 VanDerWaalsContact C-N 3.27Å; R210-L212 PolarHBondContact O-N 3.01Å |
| 211 | G | 73.2 | Confident | 85.7 | Confident | 73 Ų | 73 | 66.4 Ų | 66.4 | 75% | 0.753 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 24 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 212 | L | 86.5 | Confident | 86 | Confident | 26 Ų | 26 | 63.9 Ų | 63.9 | 14% | 0.136 | 37% | 0.371 | C | S | . | . | trans | -65.2 | 144.6 | 174.3 | -71.4 | 175.9 | 0 | 0 | 0 | 110.8 | C174 L207 R210 A214 L217 I220 | C174-L212 HydrophobicContact CB-CD1 4.45Å; C174-L212 HydrophobicContact CB-CD2 4.33Å; L207-L212 HydrophobicContact CD2-CD1 3.67Å; R210-L212 VanDerWaalsContact C-N 3.27Å; R210-L212 PolarHBondContact O-N 3.01Å; L212-A214 PolarHBondContact O-N 3.07Å; L212-L217 HydrophobicContact CB-CB 4.42Å; L212-L217 HydrophobicContact CB-CD1 4.49Å; L212-L217 HydrophobicContact CD1-CD1 4.35Å; L212-I220 HydrophobicContact CD1-CD1 4.1Å | ||
| 213 | P | 88.6 | Confident | 86.2 | Confident | 70 Ų | 70 | 61.3 Ų | 61.3 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | trans | -56.1 | 134.1 | 176.7 | -25.3 | 34.5 | 0 | 0 | 0 | 111.5 | A215 R216 L217 | P213-A215 VanDerWaalsContact C-N 3.3Å; P213-A215 PolarHBondContact O-N 3.29Å; P213-A215 VanDerWaalsContact O-N 3.12Å; P213-R216 WeakPolarHBondContact O-CA 3.38Å; P213-R216 WeakPolarHBondContact O-CB 3.38Å; P213-R216 PolarHBondContact O-N 3.16Å; P213-L217 PolarHBondContact O-N 3.23Å | ||
| 214 | A | 85.4 | Confident | 86.5 | Confident | 75 Ų | 75 | 60.7 Ų | 60.7 | 62% | 0.62 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -50.9 | -44.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L212 R216 L217 Q218 | L212-A214 PolarHBondContact O-N 3.07Å; A214-R216 PolarHBondContact O-N 2.99Å; A214-L217 PolarHBondContact O-N 2.89Å; A214-Q218 WeakPolarHBondContact O-CG 3.46Å; A214-Q218 PolarHBondContact O-N 2.73Å |
| 215 | A | 86.1 | Confident | 86.5 | Confident | 81 Ų | 81 | 61.4 Ų | 61.4 | 67% | 0.669 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.7 | -37.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | P213 M219 | P213-A215 VanDerWaalsContact C-N 3.3Å; P213-A215 PolarHBondContact O-N 3.29Å; P213-A215 VanDerWaalsContact O-N 3.12Å; A215-M219 WeakPolarHBondContact O-CB 3.22Å; A215-M219 PolarHBondContact O-N 3.07Å |
| 216 | R | 88 | Confident | 86.6 | Confident | 73 Ų | 73 | 63.4 Ų | 63.4 | 28% | 0.275 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -71.4 | -38.1 | 174.5 | -82.1 | 169.8 | 56.1 | -161.4 | -6 | 111.7 | C174 T177 G178 P213 A214 M219 I220 | C174-R216 PolarHBondContact O-NH2 3.07Å; T177-R216 VanDerWaalsContact C-NH2 3.31Å; T177-R216 PolarHBondContact O-NE 2.94Å; T177-R216 VanDerWaalsContact O-NE 3.13Å; T177-R216 PolarHBondContact OG1-NH2 3.44Å; G178-R216 VanDerWaalsContact N-NH2 3.18Å; P213-R216 WeakPolarHBondContact O-CA 3.38Å; P213-R216 WeakPolarHBondContact O-CB 3.38Å; P213-R216 PolarHBondContact O-N 3.16Å; A214-R216 PolarHBondContact O-N 2.99Å; R216-M219 PolarHBondContact O-N 3.21Å; R216-I220 WeakPolarHBondContact O-CD1 3.4Å; R216-I220 VanDerWaalsContact O-CG1 3.3Å; R216-I220 WeakPolarHBondContact O-CG1 3.32Å; R216-I220 PolarHBondContact O-N 3.42Å |
| 217 | L | 90.3 | Very high | 86.5 | Confident | 26 Ų | 26 | 60.5 Ų | 60.5 | 14% | 0.136 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.4 | -44.8 | 176.8 | -171.9 | 67 | 0 | 0 | 0 | 111.2 | L207 L212 P213 A214 M219 I220 F221 | L207-L217 HydrophobicContact CB-CD1 4.06Å; L212-L217 HydrophobicContact CB-CB 4.42Å; L212-L217 HydrophobicContact CB-CD1 4.49Å; L212-L217 HydrophobicContact CD1-CD1 4.35Å; P213-L217 PolarHBondContact O-N 3.23Å; A214-L217 PolarHBondContact O-N 2.89Å; L217-M219 PolarHBondContact O-N 2.86Å; L217-I220 PolarHBondContact O-N 3.48Å; L217-F221 HydrophobicContact CD1-CD1 4.18Å; L217-F221 HydrophobicContact CD1-CE1 3.5Å; L217-F221 HydrophobicContact CD1-CE2 4.22Å; L217-F221 HydrophobicContact CD1-CZ 3.55Å; L217-F221 HydrophobicContact CD2-CE2 4.07Å; L217-F221 HydrophobicContact CD2-CZ 4.04Å; L217-F221 HydrophobicContact CG-CD1 4.42Å; L217-F221 HydrophobicContact CG-CD2 4.28Å; L217-F221 HydrophobicContact CG-CE1 3.99Å; L217-F221 HydrophobicContact CG-CE2 3.85Å; L217-F221 HydrophobicContact CG-CZ 3.7Å; L217-F221 WeakPolarHBondContact O-CB 3.43Å; L217-F221 WeakPolarHBondContact O-CD1 3.38Å; L217-F221 VanDerWaalsContact O-CG 3.28Å; L217-F221 WeakPolarHBondContact O-CG 3.26Å; L217-F221 PolarHBondContact O-N 2.91Å |
| 218 | Q | 89.3 | Confident | 86.2 | Confident | 128 Ų | 128 | 63.9 Ų | 63.9 | 60% | 0.598 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.5 | -39.3 | 175.3 | -67 | -64.1 | -3 | 0 | 0 | 112.1 | A214 F221 A222 | A214-Q218 WeakPolarHBondContact O-CG 3.46Å; A214-Q218 PolarHBondContact O-N 2.73Å; Q218-F221 PolarHBondContact O-N 3.02Å; Q218-A222 WeakPolarHBondContact O-CB 3.4Å; Q218-A222 PolarHBondContact O-N 2.78Å |
| 219 | M | 89.4 | Confident | 86.1 | Confident | 102 Ų | 102 | 68.4 Ų | 68.4 | 50% | 0.502 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 173.1 | 179.8 | -175 | -73.6 | 0 | 0 | 112.3 | I189 A215 R216 L217 R223 | I189-M219 HydrophobicContact CD1-SD 4.09Å; A215-M219 WeakPolarHBondContact O-CB 3.22Å; A215-M219 PolarHBondContact O-N 3.07Å; R216-M219 PolarHBondContact O-N 3.21Å; L217-M219 PolarHBondContact O-N 2.86Å; M219-R223 VanDerWaalsContact O-CG 3.3Å; M219-R223 WeakPolarHBondContact O-CG 3.42Å; M219-R223 PolarHBondContact O-N 3.47Å |
| 220 | I | 91.9 | Very high | 85.6 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.9 | -40.3 | 176.2 | -66.5 | 161.7 | 0 | 0 | 0 | 110.7 | T177 I189 L192 L207 L212 R216 L217 R223 F224 | T177-I220 HydrophobicContact CG2-CD1 4.1Å; I189-I220 HydrophobicContact CG1-CG1 4.28Å; L192-I220 HydrophobicContact CD1-CD1 4.18Å; L207-I220 HydrophobicContact CD1-CG2 4.09Å; L212-I220 HydrophobicContact CD1-CD1 4.1Å; R216-I220 WeakPolarHBondContact O-CD1 3.4Å; R216-I220 VanDerWaalsContact O-CG1 3.3Å; R216-I220 WeakPolarHBondContact O-CG1 3.32Å; R216-I220 PolarHBondContact O-N 3.42Å; L217-I220 PolarHBondContact O-N 3.48Å; I220-R223 PolarHBondContact O-N 2.82Å; I220-F224 HydrophobicContact CG2-CD1 4.24Å; I220-F224 HydrophobicContact CG2-CE1 3.63Å; I220-F224 HydrophobicContact CG2-CE2 4.05Å; I220-F224 HydrophobicContact CG2-CZ 3.54Å; I220-F224 VanDerWaalsContact O-CD1 3.3Å; I220-F224 WeakPolarHBondContact O-CD1 3.41Å; I220-F224 WeakPolarHBondContact O-CG 3.43Å; I220-F224 PolarHBondContact O-N 3.08Å |
| 221 | F | 92.8 | Very high | 84.8 | Confident | 29 Ų | 29 | 63 Ų | 63 | 13% | 0.127 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67 | -40.1 | 178.9 | -74.7 | 3.6 | 0 | 0 | 0 | 112.6 | R204 L207 L217 Q218 R223 F224 D225 | R204-F221 HydrophobicContact CB-CE1 4.42Å; R204-F221 HydrophobicContact CG-CD1 3.84Å; R204-F221 HydrophobicContact CG-CE1 3.51Å; R204-F221 HydrophobicContact CG-CE2 4.22Å; R204-F221 HydrophobicContact CG-CG 4.33Å; R204-F221 HydrophobicContact CG-CZ 3.71Å; L207-F221 HydrophobicContact CB-CE1 4.07Å; L217-F221 HydrophobicContact CD1-CD1 4.18Å; L217-F221 HydrophobicContact CD1-CE1 3.5Å; L217-F221 HydrophobicContact CD1-CE2 4.22Å; L217-F221 HydrophobicContact CD1-CZ 3.55Å; L217-F221 HydrophobicContact CD2-CE2 4.07Å; L217-F221 HydrophobicContact CD2-CZ 4.04Å; L217-F221 HydrophobicContact CG-CD1 4.42Å; L217-F221 HydrophobicContact CG-CD2 4.28Å; L217-F221 HydrophobicContact CG-CE1 3.99Å; L217-F221 HydrophobicContact CG-CE2 3.85Å; L217-F221 HydrophobicContact CG-CZ 3.7Å; L217-F221 WeakPolarHBondContact O-CB 3.43Å; L217-F221 WeakPolarHBondContact O-CD1 3.38Å; L217-F221 VanDerWaalsContact O-CG 3.28Å; L217-F221 WeakPolarHBondContact O-CG 3.26Å; L217-F221 PolarHBondContact O-N 2.91Å; Q218-F221 PolarHBondContact O-N 3.02Å; F221-R223 VanDerWaalsContact C-N 3.33Å; F221-R223 PolarHBondContact O-N 3.05Å; F221-F224 HydrophobicContact CD1-CD2 4.18Å; F221-F224 HydrophobicContact CD1-CE2 4.38Å; F221-F224 WeakPolarHBondContact O-CA 3.4Å; F221-F224 WeakPolarHBondContact O-CB 3.41Å; F221-F224 PolarHBondContact O-N 3.37Å; F221-D225 PolarHBondContact O-N 2.93Å |
| 222 | A | 90.7 | Very high | 84.3 | Confident | 49 Ų | 49 | 64 Ų | 64 | 41% | 0.405 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.5 | -44.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q218 F224 D225 D226 | Q218-A222 WeakPolarHBondContact O-CB 3.4Å; Q218-A222 PolarHBondContact O-N 2.78Å; A222-F224 PolarHBondContact O-N 2.7Å; A222-D225 PolarHBondContact O-N 3.28Å; A222-D225 VanDerWaalsContact O-N 3.13Å; A222-D226 VanDerWaalsContact O-CG 3.25Å; A222-D226 PolarHBondContact O-N 3.49Å |
| 223 | R | 90.3 | Very high | 83.9 | Confident | 109 Ų | 109 | 64.7 Ų | 64.7 | 41% | 0.411 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.3 | -24.8 | 174.4 | -62.1 | -74.8 | -148.3 | 167.1 | 10.2 | 113.4 | E186 I189 V193 M219 I220 F221 A227 | E186-R223 IonicContact OE2-NH2 3.21Å; E186-R223 PolarHBondContact OE2-NH2 3.12Å; I189-R223 HydrophobicContact CG2-CG 4.13Å; V193-R223 HydrophobicContact CG2-CB 3.7Å; M219-R223 VanDerWaalsContact O-CG 3.3Å; M219-R223 WeakPolarHBondContact O-CG 3.42Å; M219-R223 PolarHBondContact O-N 3.47Å; I220-R223 PolarHBondContact O-N 2.82Å; F221-R223 VanDerWaalsContact C-N 3.33Å; F221-R223 PolarHBondContact O-N 3.05Å; R223-A227 WeakPolarHBondContact O-CB 3.11Å; R223-A227 PolarHBondContact O-N 3.45Å |
| 224 | F | 92.2 | Very high | 82.6 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -76.8 | -40.5 | 171.5 | -68.2 | -2.7 | 0 | 0 | 0 | 111.5 | L192 V193 Y196 V203 R204 L207 I220 F221 A222 D226 A227 L228 | L192-F224 HydrophobicContact CB-CE1 4.34Å; L192-F224 HydrophobicContact CB-CZ 4.47Å; L192-F224 WeakPolarHBondContact O-CE1 3.27Å; V193-F224 HydrophobicContact CG2-CD1 4.04Å; V193-F224 HydrophobicContact CG2-CE1 4.17Å; Y196-F224 HydrophobicContact CD1-CB 3.91Å; Y196-F224 HydrophobicContact CD1-CD1 4.18Å; Y196-F224 HydrophobicContact CD1-CD2 4.35Å; Y196-F224 AromaticContact CD1-CG 3.91Å; Y196-F224 HydrophobicContact CD1-CG 3.91Å; Y196-F224 HydrophobicContact CD2-CB 4.33Å; Y196-F224 HydrophobicContact CD2-CD1 4.32Å; Y196-F224 AromaticContact CD2-CD2 3.36Å; Y196-F224 HydrophobicContact CD2-CD2 3.36Å; Y196-F224 HydrophobicContact CD2-CE1 4.48Å; Y196-F224 AromaticContact CD2-CE2 3.54Å; Y196-F224 HydrophobicContact CD2-CE2 3.54Å; Y196-F224 AromaticContact CD2-CG 3.78Å; Y196-F224 HydrophobicContact CD2-CG 3.78Å; Y196-F224 HydrophobicContact CD2-CZ 4.11Å; Y196-F224 HydrophobicContact CE1-CB 3.86Å; Y196-F224 HydrophobicContact CE1-CG 4.28Å; Y196-F224 HydrophobicContact CE2-CB 4.29Å; Y196-F224 AromaticContact CE2-CD2 3.68Å; Y196-F224 HydrophobicContact CE2-CD2 3.68Å; Y196-F224 HydrophobicContact CE2-CE2 4.22Å; Y196-F224 HydrophobicContact CE2-CG 4.16Å; Y196-F224 HydrophobicContact CG-CB 4.15Å; Y196-F224 AromaticContact CG-CD1 3.84Å; Y196-F224 HydrophobicContact CG-CD1 3.84Å; Y196-F224 AromaticContact CG-CD2 3.74Å; Y196-F224 HydrophobicContact CG-CD2 3.74Å; Y196-F224 HydrophobicContact CG-CE1 4.09Å; Y196-F224 AromaticContact CG-CE2 3.98Å; Y196-F224 HydrophobicContact CG-CE2 3.98Å; Y196-F224 AromaticContact CG-CG 3.65Å; Y196-F224 HydrophobicContact CG-CG 3.65Å; Y196-F224 HydrophobicContact CG-CZ 4.15Å; V203-F224 HydrophobicContact CG1-CE2 4.22Å; V203-F224 HydrophobicContact CG1-CZ 4.1Å; R204-F224 HydrophobicContact CB-CD2 4.13Å; R204-F224 HydrophobicContact CB-CE2 4.27Å; R204-F224 HydrophobicContact CG-CD2 4.17Å; L207-F224 HydrophobicContact CD1-CE2 3.5Å; L207-F224 HydrophobicContact CD1-CZ 3.41Å; L207-F224 VanDerWaalsContact CD1-CZ 3.41Å; I220-F224 HydrophobicContact CG2-CD1 4.24Å; I220-F224 HydrophobicContact CG2-CE1 3.63Å; I220-F224 HydrophobicContact CG2-CE2 4.05Å; I220-F224 HydrophobicContact CG2-CZ 3.54Å; I220-F224 VanDerWaalsContact O-CD1 3.3Å; I220-F224 WeakPolarHBondContact O-CD1 3.41Å; I220-F224 WeakPolarHBondContact O-CG 3.43Å; I220-F224 PolarHBondContact O-N 3.08Å; F221-F224 HydrophobicContact CD1-CD2 4.18Å; F221-F224 HydrophobicContact CD1-CE2 4.38Å; F221-F224 WeakPolarHBondContact O-CA 3.4Å; F221-F224 WeakPolarHBondContact O-CB 3.41Å; F221-F224 PolarHBondContact O-N 3.37Å; A222-F224 PolarHBondContact O-N 2.7Å; F224-D226 VanDerWaalsContact C-N 3.35Å; F224-A227 WeakPolarHBondContact O-CB 3.39Å; F224-A227 PolarHBondContact O-N 3Å; F224-A227 VanDerWaalsContact O-N 3.11Å; F224-L228 PolarHBondContact O-N 2.99Å |
| 225 | D | 88.3 | Confident | 81 | Confident | 57 Ų | 57 | 64.6 Ų | 64.6 | 31% | 0.305 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 173.7 | -67 | -44.8 | 0 | 0 | 0 | 111 | R204 F221 A222 A227 L228 N229 | R204-D225 IonicContact CZ-OD1 3.36Å; R204-D225 IonicContact CZ-OD2 3.23Å; R204-D225 IonicContact NH1-OD1 2.84Å; R204-D225 PolarHBondContact NH1-OD1 3.5Å; R204-D225 IonicContact NH1-OD2 2.79Å; R204-D225 IonicContact NH2-OD1 3.25Å; R204-D225 PolarHBondContact NH2-OD1 3.08Å; R204-D225 IonicContact NH2-OD2 2.88Å; R204-D225 PolarHBondContact NH2-OD2 3.09Å; F221-D225 PolarHBondContact O-N 2.93Å; A222-D225 PolarHBondContact O-N 3.28Å; A222-D225 VanDerWaalsContact O-N 3.13Å; D225-A227 VanDerWaalsContact C-N 3.28Å; D225-A227 PolarHBondContact O-N 3.39Å; D225-L228 PolarHBondContact O-N 3.26Å; D225-N229 VanDerWaalsContact O-CB 3.24Å; D225-N229 WeakPolarHBondContact O-CB 3.27Å; D225-N229 PolarHBondContact O-N 2.73Å; D225-N229 PolarHBondContact O-ND2 3.22Å |
| 226 | D | 85.7 | Confident | 78.5 | Confident | 91 Ų | 91 | 65.1 Ų | 65.1 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57 | -40 | 169.3 | -65.5 | -29 | 0 | 0 | 0 | 112 | A222 F224 S230 | A222-D226 VanDerWaalsContact O-CG 3.25Å; A222-D226 PolarHBondContact O-N 3.49Å; F224-D226 VanDerWaalsContact C-N 3.35Å; D226-S230 VanDerWaalsContact O-CB 3.24Å; D226-S230 WeakPolarHBondContact O-CB 3.32Å; D226-S230 PolarHBondContact O-N 3.08Å; D226-S230 PolarHBondContact O-OG 2.85Å |
| 227 | A | 80.9 | Confident | 76 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 2% | 0.017 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -72.5 | -35.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V193 R197 R223 F224 D225 S230 N232 | V193-A227 HydrophobicContact CG1-CB 3.67Å; R197-A227 HydrophobicContact CG-CB 4.4Å; R223-A227 WeakPolarHBondContact O-CB 3.11Å; R223-A227 PolarHBondContact O-N 3.45Å; F224-A227 WeakPolarHBondContact O-CB 3.39Å; F224-A227 PolarHBondContact O-N 3Å; F224-A227 VanDerWaalsContact O-N 3.11Å; D225-A227 VanDerWaalsContact C-N 3.28Å; D225-A227 PolarHBondContact O-N 3.39Å; A227-S230 PolarHBondContact O-OG 2.91Å; A227-N232 PolarHBondContact O-N 3.08Å |
| 228 | L | 80.2 | Confident | 73.1 | Confident | 70 Ų | 70 | 71.2 Ų | 71.2 | 37% | 0.366 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.3 | -52.6 | 168.9 | -70.2 | 177.7 | 0 | 0 | 0 | 111 | Y196 F224 D225 S230 G231 M233 | Y196-L228 HydrophobicContact CE1-CD2 3.89Å; Y196-L228 HydrophobicContact CE1-CG 3.91Å; F224-L228 PolarHBondContact O-N 2.99Å; D225-L228 PolarHBondContact O-N 3.26Å; L228-S230 VanDerWaalsContact C-N 3.33Å; L228-S230 PolarHBondContact O-N 3.03Å; L228-G231 PolarHBondContact O-N 3.28Å; L228-M233 HydrophobicContact CD2-CE 3.97Å; L228-M233 HydrophobicContact CD2-CG 4.1Å; L228-M233 HydrophobicContact CD2-SD 3.92Å |
| 229 | N | 75.6 | Confident | 70.3 | Confident | 138 Ų | 138 | 74.7 Ų | 74.7 | 74% | 0.738 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -67.7 | -32.7 | -172.5 | -69.2 | -28.7 | 0 | 0 | 0 | 112.4 | D225 G231 | D225-N229 VanDerWaalsContact O-CB 3.24Å; D225-N229 WeakPolarHBondContact O-CB 3.27Å; D225-N229 PolarHBondContact O-N 2.73Å; D225-N229 PolarHBondContact O-ND2 3.22Å; N229-G231 PolarHBondContact O-N 2.97Å |
| 230 | S | 73.2 | Confident | 67.6 | Low | 64 Ų | 64 | 77.2 Ų | 77.2 | 45% | 0.448 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -0.3 | 172.3 | 62.2 | 0 | 0 | 0 | 0 | 114.1 | D226 A227 L228 N232 | D226-S230 VanDerWaalsContact O-CB 3.24Å; D226-S230 WeakPolarHBondContact O-CB 3.32Å; D226-S230 PolarHBondContact O-N 3.08Å; D226-S230 PolarHBondContact O-OG 2.85Å; A227-S230 PolarHBondContact O-OG 2.91Å; L228-S230 VanDerWaalsContact C-N 3.33Å; L228-S230 PolarHBondContact O-N 3.03Å; S230-N232 VanDerWaalsContact CB-ND2 3.35Å; S230-N232 WeakPolarHBondContact CB-ND2 3.27Å; S230-N232 PolarHBondContact O-N 3.23Å; S230-N232 VanDerWaalsContact O-N 3.13Å; S230-N232 PolarHBondContact O-ND2 3.26Å; S230-N232 PolarHBondContact OG-ND2 2.74Å; S230-N232 VanDerWaalsContact OG-ND2 3.07Å |
| 231 | G | 63.3 | Low | 64.7 | Low | 59 Ų | 59 | 88.5 Ų | 88.5 | 61% | 0.608 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L228 N229 M233 | L228-G231 PolarHBondContact O-N 3.28Å; N229-G231 PolarHBondContact O-N 2.97Å; G231-M233 PolarHBondContact O-N 3.49Å |
| 232 | N | 61.8 | Low | 61.7 | Low | 94 Ų | 94 | 91.6 Ų | 91.6 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | trans | -78.5 | 40.1 | -172.1 | -72.8 | -61.9 | 0 | 0 | 0 | 113.6 | R197 A227 S230 | R197-N232 WeakPolarHBondContact CD-O 3.41Å; R197-N232 WeakPolarHBondContact CG-O 3.4Å; R197-N232 PolarHBondContact NE-O 3.37Å; A227-N232 PolarHBondContact O-N 3.08Å; S230-N232 VanDerWaalsContact CB-ND2 3.35Å; S230-N232 WeakPolarHBondContact CB-ND2 3.27Å; S230-N232 PolarHBondContact O-N 3.23Å; S230-N232 VanDerWaalsContact O-N 3.13Å; S230-N232 PolarHBondContact O-ND2 3.26Å; S230-N232 PolarHBondContact OG-ND2 2.74Å; S230-N232 VanDerWaalsContact OG-ND2 3.07Å | ||
| 233 | M | 77.4 | Confident | 58.6 | Low | 41 Ų | 41 | 97.7 Ų | 97.7 | 20% | 0.202 | 53% | 0.534 | C | S | . | . | trans | -92.6 | 116.2 | -178.5 | -63.4 | -61.6 | -68.5 | 0 | 0 | 110.7 | Y196 R197 L228 G231 L235 | Y196-M233 HydrophobicContact CD1-CE 3.86Å; Y196-M233 HydrophobicContact CD1-SD 4.07Å; Y196-M233 HydrophobicContact CE1-CE 3.66Å; Y196-M233 HydrophobicContact CE1-SD 3.98Å; Y196-M233 WeakPolarHBondContact O-CE 3.39Å; R197-M233 HydrophobicContact CG-SD 4.31Å; R197-M233 CarbonylContact O-C 3.47Å; L228-M233 HydrophobicContact CD2-CE 3.97Å; L228-M233 HydrophobicContact CD2-CG 4.1Å; L228-M233 HydrophobicContact CD2-SD 3.92Å; G231-M233 PolarHBondContact O-N 3.49Å; M233-L235 HydrophobicContact CB-CD1 4.36Å; M233-L235 HydrophobicContact CB-CG 4.31Å; M233-L235 PolarHBondContact O-N 2.91Å | ||
| 234 | A | 62.2 | Low | 56.2 | Low | 43 Ų | 43 | 99 Ų | 99 | 36% | 0.355 | 55% | 0.549 | S | S | . | . | trans | -83 | 39.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R197 H198 S236 | R197-A234 HydrophobicContact CB-CB 4.44Å; R197-A234 PolarHBondContact O-N 2.79Å; H198-A234 VanDerWaalsContact CE1-CB 3.46Å; H198-A234 WeakPolarHBondContact CE1-CB 3.37Å; H198-A234 VanDerWaalsContact ND1-CB 3.34Å; H198-A234 WeakPolarHBondContact ND1-CB 3.4Å; A234-S236 PolarHBondContact O-N 3.42Å | ||
| 235 | L | 51.9 | Low | 53.6 | Low | 99 Ų | 99 | 106 Ų | 106 | 52% | 0.518 | 59% | 0.587 | S | S | . | * | trans | -77.8 | 113.5 | 180 | -64.2 | 173.4 | 0 | 0 | 0 | 110.2 | M233 | M233-L235 HydrophobicContact CB-CD1 4.36Å; M233-L235 HydrophobicContact CB-CG 4.31Å; M233-L235 PolarHBondContact O-N 2.91Å | ||
| 236 | S | 32.8 | Very low | 51.1 | Low | 93 Ų | 93 | 110.2 Ų | 110.2 | 65% | 0.65 | 61% | 0.609 | S | S | * | * | trans | -62.4 | 124.3 | -179.4 | -53.7 | 0 | 0 | 0 | 0 | 112.2 | A234 S238 | A234-S236 PolarHBondContact O-N 3.42Å; S236-S238 VanDerWaalsContact C-N 3.29Å; S236-S238 PolarHBondContact O-N 2.97Å | ||
| 237 | P | 35.9 | Very low | 48.6 | Very low | 136 Ų | 136 | 113 Ų | 113 | 88% | 0.883 | 62% | 0.624 | S | S | * | * | trans | -84.7 | 61 | -175.4 | 35.4 | -37 | 0 | 0 | 0 | 112.4 | ||||
| 238 | S | 30.2 | Very low | 46.2 | Very low | 90 Ų | 90 | 117.3 Ų | 117.3 | 63% | 0.629 | 65% | 0.654 | S | S | * | * | trans | -157 | 77.3 | -177.2 | 62.4 | 0 | 0 | 0 | 0 | 114.8 | S236 | S236-S238 VanDerWaalsContact C-N 3.29Å; S236-S238 PolarHBondContact O-N 2.97Å | ||
| 239 | H | 29.8 | Very low | 44.1 | Very low | 201 Ų | 201 | 119.7 Ų | 119.7 | 93% | 0.931 | 67% | 0.671 | S | S | * | * | trans | -158.9 | 78.3 | 142.7 | -114.2 | -24.6 | 0 | 0 | 0 | 110.7 | ||||
| 240 | D | 31.7 | Very low | 42 | Very low | 156 Ų | 156 | 121 Ų | 121 | 83% | 0.834 | 68% | 0.678 | S | S | * | * | trans | -141.5 | 100.9 | 156 | -171.2 | 5.6 | 0 | 0 | 0 | 108.1 | ||||
| 241 | R | 31.8 | Very low | 39.9 | Very low | 238 Ų | 238 | 121.6 Ų | 121.6 | 90% | 0.898 | 69% | 0.694 | S | S | * | * | trans | -151.8 | 128.3 | 161 | -81.4 | -153.4 | 175.7 | -160.3 | -1.1 | 107.8 | ||||
| 242 | S | 29.1 | Very low | 38.2 | Very low | 93 Ų | 93 | 130.1 Ų | 130.1 | 65% | 0.65 | 71% | 0.708 | S | S | * | * | trans | -59.3 | 150.8 | 160.5 | 86.7 | 0 | 0 | 0 | 0 | 109.6 | D244 | S242-D244 PolarHBondContact OG-OD2 2.98Š| ||
| 243 | F | 26.4 | Very low | 36.5 | Very low | 177 Ų | 177 | 130.2 Ų | 130.2 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | trans | -135.6 | 97.7 | 154.7 | -155.7 | -81.3 | 0 | 0 | 0 | 104.8 | D245 | F243-D245 HydrophobicContact CD1-CB 4.2Å; F243-D245 HydrophobicContact CE1-CB 4.08Å | ||
| 244 | D | 40.4 | Very low | 34.1 | Very low | 138 Ų | 138 | 133.6 Ų | 133.6 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | trans | -73.7 | 128.2 | 163 | -61.8 | -87.6 | 0 | 0 | 0 | 106.7 | S242 | S242-D244 PolarHBondContact OG-OD2 2.98Š| ||
| 245 | D | 37.9 | Very low | 32.4 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | trans | -141.2 | 138.6 | 157.8 | -137 | -20.9 | 0 | 0 | 0 | 107.3 | F243 | F243-D245 HydrophobicContact CD1-CB 4.2Å; F243-D245 HydrophobicContact CE1-CB 4.08Å | ||
| 246 | D | 35.8 | Very low | 31.3 | Very low | 146 Ų | 146 | 137.2 Ų | 137.2 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | trans | -120.8 | 119.3 | -164.8 | -178.7 | 28.9 | 0 | 0 | 0 | 109.2 | ||||
| 247 | D | 33.2 | Very low | 31 | Very low | 150 Ų | 150 | 142.2 Ų | 142.2 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | -175 | 167 | 128.2 | -134.3 | -42.9 | 0 | 0 | 0 | 113.6 | |||||
| 248 | S | 30.5 | Very low | 30.5 | Very low | 92 Ų | 92 | 140.8 Ų | 140.8 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | trans | 86.8 | 84.2 | 145.8 | -165 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 249 | V | 35.6 | Very low | 30.4 | Very low | 119 Ų | 119 | 141 Ų | 141 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | 82.1 | 132.1 | 122.4 | 172.3 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 250 | D | 30.8 | Very low | 30.2 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | trans | 64.8 | 162.3 | 161.6 | -74.9 | -25.6 | 0 | 0 | 0 | 120.9 | ||||
| 251 | G | 28.5 | Very low | 30.1 | Very low | 75 Ų | 75 | 143.8 Ų | 143.8 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | 132.4 | 28 | 161.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 252 | R | 28.3 | Very low | 30 | Very low | 238 Ų | 238 | 140.1 Ų | 140.1 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | trans | -26.6 | 132 | 170.9 | -122.1 | 178.5 | -178.3 | 176.2 | 0.7 | 117.4 | ||||
| 253 | S | 26.1 | Very low | 29.9 | Very low | 96 Ų | 96 | 141.9 Ų | 141.9 | 67% | 0.671 | 81% | 0.809 | S | S | * | * | trans | 91.9 | 134.9 | 143.2 | -48.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 254 | S | 27.8 | Very low | 29.9 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | trans | 64.2 | 149.9 | 145.3 | 46.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 255 | S | 26.8 | Very low | 29.3 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | cis | -175.1 | 134.7 | -20.4 | 52 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 256 | A | 27.1 | Very low | 29 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 87% | 0.868 | 82% | 0.815 | S | S | * | * | trans | -167.2 | 150.3 | 151.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 257 | Q | 27.5 | Very low | 28.9 | Very low | 199 Ų | 199 | 144.2 Ų | 144.2 | 93% | 0.93 | 82% | 0.821 | S | S | * | * | trans | -112.9 | 141.2 | -179.4 | -63 | 167.8 | -28 | 0 | 0 | 111.5 | ||||
| 258 | A | 26.2 | Very low | 28.6 | Very low | 105 Ų | 105 | 147.7 Ų | 147.7 | 87% | 0.868 | 83% | 0.829 | S | S | * | * | trans | -165 | 98.4 | 143.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 259 | A | 26.4 | Very low | 28.3 | Very low | 94 Ų | 94 | 147.6 Ų | 147.6 | 78% | 0.777 | 83% | 0.834 | S | S | * | * | trans | -98.1 | 124.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 260 | F | 26.5 | Very low | 27.9 | Very low | 214 Ų | 214 | 146.1 Ų | 146.1 | 94% | 0.939 | 83% | 0.834 | S | S | * | * | trans | -124.8 | 122.3 | 162.1 | -105.8 | -87.5 | 0 | 0 | 0 | 110.2 | ||||
| 261 | K | 29 | Very low | 27.5 | Very low | 202 Ų | 202 | 146.8 Ų | 146.8 | 88% | 0.878 | 83% | 0.832 | S | S | * | * | trans | -87.7 | 139.1 | 178.2 | -64.6 | 174.3 | -179.8 | 173.4 | 0 | 109.4 | ||||
| 262 | I | 30.8 | Very low | 27.4 | Very low | 162 Ų | 162 | 148.1 Ų | 148.1 | 83% | 0.831 | 83% | 0.829 | S | S | * | * | trans | -119 | 143.8 | 161.2 | -66.6 | -178.4 | 0 | 0 | 0 | 107.6 | ||||
| 263 | P | 27.2 | Very low | 27.2 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 84% | 0.844 | 83% | 0.826 | S | S | * | * | trans | -75.6 | 173.8 | -159.7 | -20.1 | 35.5 | 0 | 0 | 0 | 116.3 | ||||
| 264 | K | 26.5 | Very low | 27.1 | Very low | 196 Ų | 196 | 142.8 Ų | 142.8 | 85% | 0.852 | 84% | 0.835 | S | S | * | * | trans | -118.7 | 171.4 | 178 | -160.4 | 174.8 | -172.7 | 176.6 | 0 | 108.8 | ||||
| 265 | V | 26.5 | Very low | 27 | Very low | 132 Ų | 132 | 142.5 Ų | 142.5 | 80% | 0.8 | 84% | 0.84 | S | S | * | * | trans | 81.9 | 143.7 | 175.4 | -174.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 266 | P | 31.6 | Very low | 27 | Very low | 120 Ų | 120 | 147.8 Ų | 147.8 | 78% | 0.779 | 84% | 0.842 | S | S | * | * | cis | -116.2 | 173.2 | 2.1 | 18.2 | 4.9 | 0 | 0 | 0 | 116 | ||||
| 267 | K | 34.6 | Very low | 27 | Very low | 208 Ų | 208 | 153.7 Ų | 153.7 | 90% | 0.904 | 84% | 0.842 | S | S | * | * | trans | -101.9 | 141.1 | 153.1 | -76.6 | -175.6 | 175.2 | -177.4 | 0 | 109.5 | ||||
| 268 | K | 26.1 | Very low | 27.4 | Very low | 222 Ų | 222 | 150 Ų | 150 | 97% | 0.965 | 84% | 0.836 | S | S | * | * | trans | -147.9 | 178 | 142.5 | -139.2 | 177 | -179.9 | -176.4 | 0 | 109.2 | ||||
| 269 | A | 24.2 | Very low | 27.2 | Very low | 91 Ų | 91 | 150.8 Ų | 150.8 | 75% | 0.752 | 83% | 0.834 | S | S | * | * | trans | -125.2 | 175.4 | -156.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 270 | A | 26.9 | Very low | 27.2 | Very low | 88 Ų | 88 | 149.9 Ų | 149.9 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | trans | 72.4 | 143.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 271 | E | 23.9 | Very low | 27.4 | Very low | 180 Ų | 180 | 145.7 Ų | 145.7 | 84% | 0.841 | 82% | 0.819 | S | S | * | * | cis | -152.1 | -179.5 | 5.8 | -141.8 | 153.1 | -119.9 | 0 | 0 | 113 | ||||
| 272 | S | 24.9 | Very low | 27.2 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | trans | 56.2 | 99.2 | 165.7 | 58.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 273 | S | 23.8 | Very low | 27.4 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | 45.5 | 105.7 | 129 | 61.7 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 274 | A | 24.5 | Very low | 27.4 | Very low | 105 Ų | 105 | 141 Ų | 141 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | -169 | 124.2 | 114 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 275 | A | 25.9 | Very low | 27.9 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 88% | 0.884 | 82% | 0.816 | S | S | * | * | trans | -90.9 | 155.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 276 | R | 26.9 | Very low | 27.9 | Very low | 224 Ų | 224 | 139.7 Ų | 139.7 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | -87.1 | 140.9 | -177.4 | -73.5 | 171.6 | 161.5 | 178 | -6.2 | 113 | ||||
| 277 | R | 27.7 | Very low | 27.7 | Very low | 228 Ų | 228 | 139 Ų | 139 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | 65 | 172.4 | 145.9 | -76.4 | 180 | 175.1 | -177 | -3.1 | 117 | ||||
| 278 | P | 35.1 | Very low | 27.9 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | cis | -119.6 | 174.2 | -14.8 | 28.3 | -9.7 | 0 | 0 | 0 | 113.3 | ||||
| 279 | S | 22.5 | Very low | 27.9 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | trans | -137.3 | 144.4 | 151.1 | -170.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 280 | A | 25.9 | Very low | 28.2 | Very low | 75 Ų | 75 | 132.1 Ų | 132.1 | 62% | 0.62 | 78% | 0.781 | S | S | * | * | trans | -82.3 | -179 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 281 | T | 30.3 | Very low | 28.6 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | cis | -155 | 174.1 | 21.8 | -27.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 282 | S | 25.1 | Very low | 29.5 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | -33.3 | 133 | 163.6 | 52.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 283 | G | 36.4 | Very low | 30.4 | Very low | 80 Ų | 80 | 122.3 Ų | 122.3 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | trans | -81.4 | 163.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 284 | K | 25.9 | Very low | 32.1 | Very low | 207 Ų | 207 | 117.2 Ų | 117.2 | 90% | 0.9 | 70% | 0.704 | S | S | * | * | trans | -148.1 | 143.2 | 167.1 | -168.4 | 171.8 | -177.5 | 176.6 | 0 | 109.6 | ||||
| 285 | L | 36.3 | Very low | 34.7 | Very low | 163 Ų | 163 | 116.2 Ų | 116.2 | 85% | 0.853 | 68% | 0.684 | S | S | * | * | trans | -86.4 | 140.2 | 176.1 | -66.4 | 163.6 | 0 | 0 | 0 | 111 | ||||
| 286 | V | 27.2 | Very low | 37 | Very low | 137 Ų | 137 | 113.1 Ų | 113.1 | 83% | 0.83 | 65% | 0.651 | S | S | * | * | trans | -179.2 | 156.5 | 139.5 | 136.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 287 | S | 27.6 | Very low | 39.6 | Very low | 106 Ų | 106 | 108.1 Ų | 108.1 | 74% | 0.741 | 64% | 0.637 | S | S | * | * | trans | 74.4 | 96.6 | 167.1 | -70.9 | 0 | 0 | 0 | 0 | 119.7 | E289 | S287-E289 PolarHBondContact O-N 3.48Š| ||
| 288 | K | 38.1 | Very low | 42.4 | Very low | 193 Ų | 193 | 100.3 Ų | 100.3 | 84% | 0.839 | 61% | 0.612 | S | S | * | * | trans | -65.6 | 81.1 | 166.2 | -179.7 | -176.6 | -177.2 | 174.5 | 0 | 112.3 | D106 | D106-K288 IonicContact OD2-NZ 3.25Š| ||
| 289 | E | 27.5 | Very low | 45 | Very low | 102 Ų | 102 | 94.4 Ų | 94.4 | 48% | 0.477 | 57% | 0.574 | S | S | . | * | trans | -99.9 | 123.9 | 170.4 | -137.4 | -172.4 | -157.1 | 0 | 0 | 111.7 | S287 A293 | S287-E289 PolarHBondContact O-N 3.48Å; E289-A293 HydrophobicContact CB-CB 3.83Å; E289-A293 HydrophobicContact CG-CB 4.06Å; E289-A293 VanDerWaalsContact OE2-CB 3.27Å; E289-A293 WeakPolarHBondContact OE2-CB 3.09Å | ||
| 290 | S | 30.4 | Very low | 48.3 | Very low | 81 Ų | 81 | 92.1 Ų | 92.1 | 57% | 0.566 | 55% | 0.552 | S | S | * | * | trans | -61.7 | 160.7 | -169.6 | 73.1 | 0 | 0 | 0 | 0 | 114.8 | G292 A293 K420 | S290-G292 PolarHBondContact O-N 2.9Å; S290-A293 WeakPolarHBondContact O-CB 3.43Å; S290-A293 PolarHBondContact O-N 3.2Å; S290-K420 PolarHBondContact O-NZ 3.04Å; S290-K420 PolarHBondContact OG-NZ 3.39Å | ||
| 291 | A | 34.3 | Very low | 51.5 | Low | 103 Ų | 103 | 95.2 Ų | 95.2 | 85% | 0.851 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -40.7 | 137 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A293 | A291-A293 VanDerWaalsContact C-N 3.28Š|
| 292 | G | 42.4 | Very low | 54.5 | Low | 34 Ų | 34 | 89.9 Ų | 89.9 | 35% | 0.351 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | -0.8 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S290 K420 I421 | S290-G292 PolarHBondContact O-N 2.9Å; G292-K420 WeakPolarHBondContact O-CG 3.36Å; G292-I421 VanDerWaalsContact O-CG1 3.29Å; G292-I421 WeakPolarHBondContact O-CG1 3.36Å; G292-I421 PolarHBondContact O-N 2.86Å |
| 293 | A | 44.8 | Very low | 57.9 | Low | 27 Ų | 27 | 85.3 Ų | 85.3 | 22% | 0.223 | 48% | 0.483 | C | S | . | . | trans | -63.7 | 158.8 | 153.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | E289 S290 A291 | E289-A293 HydrophobicContact CB-CB 3.83Å; E289-A293 HydrophobicContact CG-CB 4.06Å; E289-A293 VanDerWaalsContact OE2-CB 3.27Å; E289-A293 WeakPolarHBondContact OE2-CB 3.09Å; S290-A293 WeakPolarHBondContact O-CB 3.43Å; S290-A293 PolarHBondContact O-N 3.2Å; A291-A293 VanDerWaalsContact C-N 3.28Å | ||
| 294 | V | 59.7 | Low | 60.7 | Low | 10 Ų | 10 | 85.9 Ų | 85.9 | 6% | 0.061 | 47% | 0.47 | C | S | . | . | trans | -110.5 | 111.2 | 165.7 | 175.8 | 0 | 0 | 0 | 0 | 105.6 | F299 I421 T424 | V294-F299 HydrophobicContact CG1-CB 3.97Å; V294-F299 HydrophobicContact CG1-CD2 3.82Å; V294-F299 HydrophobicContact CG1-CG 4.36Å; V294-I421 HydrophobicContact CG2-CG2 4.03Å; V294-T424 WeakPolarHBondContact CG2-OG1 3.38Å; V294-T424 PolarHBondContact N-OG1 3.49Å | ||
| 295 | D | 77.9 | Confident | 63.9 | Low | 84 Ų | 84 | 82 Ų | 82 | 45% | 0.449 | 46% | 0.459 | S | S | . | . | trans | -59.9 | 142.3 | 175.9 | -178.7 | 46.2 | 0 | 0 | 0 | 110.5 | D298 F299 | D295-D298 HydrophobicContact CB-CB 4.02Å; D295-D298 PolarHBondContact O-N 3.32Å; D295-D298 PolarHBondContact OD2-N 3.32Å; D295-F299 WeakPolarHBondContact O-CB 3.09Å; D295-F299 PolarHBondContact O-N 2.73Å | ||
| 296 | E | 76 | Confident | 66.7 | Low | 43 Ų | 43 | 75.2 Ų | 75.2 | 20% | 0.201 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -73.6 | -41 | -170.8 | -178 | 166 | -167.1 | 0 | 0 | 110.8 | F299 I300 R431 | E296-F299 WeakPolarHBondContact O-CB 3.06Å; E296-F299 PolarHBondContact O-N 2.92Å; E296-I300 HydrophobicContact CG-CD1 4.11Å; E296-I300 WeakPolarHBondContact O-CG1 3.39Å; E296-I300 PolarHBondContact O-N 2.91Å; E296-R431 WeakPolarHBondContact OE1-CD 3.38Å; E296-R431 IonicContact OE1-CZ 3.24Å; E296-R431 VanDerWaalsContact OE1-CZ 3.26Å; E296-R431 IonicContact OE1-NE 2.66Å; E296-R431 PolarHBondContact OE1-NE 2.83Å; E296-R431 IonicContact OE1-NH1 2.88Å; E296-R431 PolarHBondContact OE1-NH1 3.19Å; E296-R431 IonicContact OE1-NH2 2.89Å; E296-R431 IonicContact OE2-CZ 3.77Å; E296-R431 IonicContact OE2-NE 3.71Å; E296-R431 IonicContact OE2-NH1 3.69Å; E296-R431 PolarHBondContact OE2-NH1 2.93Å; E296-R431 IonicContact OE2-NH2 2.72Å; E296-R431 PolarHBondContact OE2-NH2 3.11Å |
| 297 | E | 80.1 | Confident | 69.8 | Low | 118 Ų | 118 | 72.8 Ų | 72.8 | 55% | 0.551 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.6 | -40.9 | 172.8 | -79.1 | 63.6 | -160 | 0 | 0 | 111.8 | R301 | E297-R301 VanDerWaalsContact O-CB 3.31Å; E297-R301 WeakPolarHBondContact O-CB 3.09Å; E297-R301 PolarHBondContact O-N 3.3Å |
| 298 | D | 86.7 | Confident | 72.9 | Confident | 64 Ų | 64 | 73.9 Ų | 73.9 | 34% | 0.342 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.7 | -39.2 | 170.7 | -81.7 | 3.9 | 0 | 0 | 0 | 112.8 | D295 I300 R301 A302 | D295-D298 HydrophobicContact CB-CB 4.02Å; D295-D298 PolarHBondContact O-N 3.32Å; D295-D298 PolarHBondContact OD2-N 3.32Å; D298-I300 VanDerWaalsContact C-N 3.33Å; D298-I300 PolarHBondContact O-N 3.06Å; D298-R301 PolarHBondContact O-N 3.17Å; D298-R301 IonicContact OD1-CZ 2.65Å; D298-R301 IonicContact OD1-NH1 3.24Å; D298-R301 PolarHBondContact OD1-NH1 2.99Å; D298-R301 IonicContact OD1-NH2 4Å; D298-R301 PolarHBondContact OD1-NH2 3.13Å; D298-A302 WeakPolarHBondContact O-CB 3.06Å; D298-A302 PolarHBondContact O-N 2.81Å |
| 299 | F | 90.9 | Very high | 75.6 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64 | -39.3 | 177.9 | -171.5 | -99.5 | 0 | 0 | 0 | 111.9 | V294 D295 E296 F303 C386 I387 A390 A429 I432 | V294-F299 HydrophobicContact CG1-CB 3.97Å; V294-F299 HydrophobicContact CG1-CD2 3.82Å; V294-F299 HydrophobicContact CG1-CG 4.36Å; D295-F299 WeakPolarHBondContact O-CB 3.09Å; D295-F299 PolarHBondContact O-N 2.73Å; E296-F299 WeakPolarHBondContact O-CB 3.06Å; E296-F299 PolarHBondContact O-N 2.92Å; F299-F303 HydrophobicContact CD1-CE1 4.16Å; F299-F303 HydrophobicContact CE1-CE1 4.19Å; F299-F303 WeakPolarHBondContact O-CD1 3.34Å; F299-F303 WeakPolarHBondContact O-CE1 3.2Å; F299-C386 HydrophobicContact CE2-CB 4.19Å; F299-C386 HydrophobicContact CZ-CB 4.12Å; F299-I387 HydrophobicContact CD2-CD1 4.37Å; F299-I387 HydrophobicContact CD2-CG1 3.55Å; F299-I387 HydrophobicContact CE2-CB 4.33Å; F299-I387 HydrophobicContact CE2-CD1 4.49Å; F299-I387 HydrophobicContact CE2-CG1 3.38Å; F299-I387 HydrophobicContact CG-CG1 4.33Å; F299-I387 HydrophobicContact CZ-CG1 4.03Å; F299-A390 HydrophobicContact CE1-CB 3.64Å; F299-A390 HydrophobicContact CZ-CB 4.11Å; F299-A429 HydrophobicContact CZ-CB 4.32Å; F299-I432 HydrophobicContact CD1-CD1 3.94Å; F299-I432 HydrophobicContact CE1-CD1 4Å |
| 300 | I | 91.9 | Very high | 78.7 | Confident | 72 Ų | 72 | 68 Ų | 68 | 37% | 0.369 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -73.3 | -40.8 | 175.6 | -66.7 | 166 | 0 | 0 | 0 | 110.5 | E296 D298 A302 F303 I432 | E296-I300 HydrophobicContact CG-CD1 4.11Å; E296-I300 WeakPolarHBondContact O-CG1 3.39Å; E296-I300 PolarHBondContact O-N 2.91Å; D298-I300 VanDerWaalsContact C-N 3.33Å; D298-I300 PolarHBondContact O-N 3.06Å; I300-A302 PolarHBondContact O-N 3.04Å; I300-F303 WeakPolarHBondContact O-CB 3.43Å; I300-F303 VanDerWaalsContact O-CG 3.26Å; I300-F303 WeakPolarHBondContact O-CG 3.44Å; I300-F303 PolarHBondContact O-N 3.46Å; I300-I432 HydrophobicContact CD1-CD1 4.4Å; I300-I432 HydrophobicContact CG1-CD1 3.92Å |
| 301 | R | 91.4 | Very high | 81.8 | Confident | 139 Ų | 139 | 65.1 Ų | 65.1 | 53% | 0.525 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.6 | -35.7 | 175.4 | -158.5 | -176.9 | -46.3 | 116.7 | 19.5 | 112 | E297 D298 F303 T304 D305 | E297-R301 VanDerWaalsContact O-CB 3.31Å; E297-R301 WeakPolarHBondContact O-CB 3.09Å; E297-R301 PolarHBondContact O-N 3.3Å; D298-R301 PolarHBondContact O-N 3.17Å; D298-R301 IonicContact OD1-CZ 2.65Å; D298-R301 IonicContact OD1-NH1 3.24Å; D298-R301 PolarHBondContact OD1-NH1 2.99Å; D298-R301 IonicContact OD1-NH2 4Å; D298-R301 PolarHBondContact OD1-NH2 3.13Å; R301-F303 PolarHBondContact O-N 3.37Å; R301-F303 VanDerWaalsContact O-N 3.09Å; R301-T304 PolarHBondContact O-N 2.88Å; R301-T304 VanDerWaalsContact O-N 3.14Å; R301-T304 PolarHBondContact O-OG1 3.49Å; R301-D305 WeakPolarHBondContact O-CB 3.38Å; R301-D305 PolarHBondContact O-N 3.5Å |
| 302 | A | 94.4 | Very high | 84.7 | Confident | 15 Ų | 15 | 68.7 Ų | 68.7 | 12% | 0.124 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -6.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D298 I300 R346 I387 | D298-A302 WeakPolarHBondContact O-CB 3.06Å; D298-A302 PolarHBondContact O-N 2.81Å; I300-A302 PolarHBondContact O-N 3.04Å; A302-R346 VanDerWaalsContact O-CZ 3.32Å; A302-R346 PolarHBondContact O-NE 2.96Å; A302-R346 PolarHBondContact O-NH2 3.46Å; A302-I387 HydrophobicContact CB-CD1 3.87Å; A302-I387 HydrophobicContact CB-CG1 4.47Å; A302-I387 HydrophobicContact CB-CG2 3.9Å |
| 303 | F | 96.1 | Very high | 87.2 | Confident | 14 Ų | 14 | 69.6 Ų | 69.6 | 6% | 0.061 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -43.9 | 169.2 | -68 | 3.6 | 0 | 0 | 0 | 111 | F299 I300 R301 I387 A390 H391 I432 | F299-F303 HydrophobicContact CD1-CE1 4.16Å; F299-F303 HydrophobicContact CE1-CE1 4.19Å; F299-F303 WeakPolarHBondContact O-CD1 3.34Å; F299-F303 WeakPolarHBondContact O-CE1 3.2Å; I300-F303 WeakPolarHBondContact O-CB 3.43Å; I300-F303 VanDerWaalsContact O-CG 3.26Å; I300-F303 WeakPolarHBondContact O-CG 3.44Å; I300-F303 PolarHBondContact O-N 3.46Å; R301-F303 PolarHBondContact O-N 3.37Å; R301-F303 VanDerWaalsContact O-N 3.09Å; F303-I387 HydrophobicContact CD1-CG2 3.73Å; F303-I387 HydrophobicContact CE1-CG2 4.11Å; F303-A390 HydrophobicContact CE1-CB 3.81Å; F303-A390 HydrophobicContact CZ-CB 3.63Å; F303-H391 HydrophobicContact CB-CB 4.1Å; F303-H391 HydrophobicContact CD1-CB 3.81Å; F303-H391 HydrophobicContact CD2-CB 3.91Å; F303-H391 AromaticContact CD2-CG 3.89Å; F303-H391 AromaticContact CD2-ND1 3.45Å; F303-H391 WeakPolarHBondContact CD2-ND1 3.33Å; F303-H391 HydrophobicContact CE1-CB 4.17Å; F303-H391 HydrophobicContact CE2-CB 4.25Å; F303-H391 HydrophobicContact CG-CB 3.66Å; F303-H391 AromaticContact CG-CG 3.73Å; F303-H391 AromaticContact CG-ND1 3.7Å; F303-H391 HydrophobicContact CZ-CB 4.37Å; F303-I432 HydrophobicContact CE2-CD1 4.45Å; F303-I432 HydrophobicContact CZ-CD1 3.74Å; F303-I432 HydrophobicContact CZ-CG2 4.25Å |
| 304 | T | 94.2 | Very high | 89.7 | Confident | 91 Ų | 91 | 71.7 Ų | 71.7 | 56% | 0.558 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | -15.3 | -174.9 | 53 | 0 | 0 | 0 | 0 | 113.8 | R301 V306 V350 | R301-T304 PolarHBondContact O-N 2.88Å; R301-T304 VanDerWaalsContact O-N 3.14Å; R301-T304 PolarHBondContact O-OG1 3.49Å; T304-V306 PolarHBondContact O-N 2.83Å; T304-V350 HydrophobicContact CG2-CG2 4.07Å |
| 305 | D | 93.3 | Very high | 91.4 | Very high | 126 Ų | 126 | 79.6 Ų | 79.6 | 67% | 0.674 | 41% | 0.405 | S | S | * | . | trans | -73.1 | 74.4 | 169.4 | -176.4 | 32 | 0 | 0 | 0 | 110.9 | R301 | R301-D305 WeakPolarHBondContact O-CB 3.38Å; R301-D305 PolarHBondContact O-N 3.5Å | ||
| 306 | V | 95.6 | Very high | 92.3 | Very high | 21 Ų | 21 | 77.5 Ų | 77.5 | 13% | 0.127 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -148.2 | 154.3 | 178.3 | -71.2 | 0 | 0 | 0 | 0 | 109.8 | T304 K343 R346 | T304-V306 PolarHBondContact O-N 2.83Å; V306-K343 HydrophobicContact CG1-CB 3.92Å; V306-K343 HydrophobicContact CG1-CG 4.21Å; V306-R346 HydrophobicContact CG1-CB 4.07Å; V306-R346 HydrophobicContact CG2-CB 4.19Å |
| 307 | P | 93.4 | Very high | 93.3 | Very high | 85 Ų | 85 | 75.4 Ų | 75.4 | 55% | 0.552 | 38% | 0.384 | S | S | * | . | trans | -57 | 135.4 | 179.7 | -25.7 | 35.1 | 0 | 0 | 0 | 111.9 | S347 | P307-S347 VanDerWaalsContact O-CB 3.27Å; P307-S347 WeakPolarHBondContact O-CB 3.16Å; P307-S347 PolarHBondContact O-OG 3.05Å | ||
| 308 | P | 91.7 | Very high | 94.1 | Very high | 130 Ų | 130 | 72.8 Ų | 72.8 | 84% | 0.844 | 37% | 0.372 | S | S | * | . | trans | -66.7 | 141.9 | 177.3 | 28.3 | -34.6 | 0 | 0 | 0 | 110.4 | ||||
| 309 | V | 95.3 | Very high | 94.6 | Very high | 35 Ų | 35 | 73.9 Ų | 73.9 | 21% | 0.212 | 38% | 0.377 | C | S | . | . | trans | -135.5 | 158.1 | 175.8 | -57 | 0 | 0 | 0 | 0 | 109.3 | K344 S347 L348 A351 | V309-K344 HydrophobicContact CG1-CD 4.08Å; V309-S347 WeakPolarHBondContact CG2-O 3.41Å; V309-L348 HydrophobicContact CG2-CD2 4.1Å; V309-L348 HydrophobicContact CG2-CG 4.49Å; V309-A351 HydrophobicContact CG2-CB 3.77Å; V309-A351 WeakPolarHBondContact O-CB 3.38Å | ||
| 310 | Q | 93.3 | Very high | 94.9 | Very high | 135 Ų | 135 | 75.6 Ų | 75.6 | 63% | 0.631 | 39% | 0.386 | S | S | * | . | trans | -115.2 | 151.2 | 168.1 | -65.2 | -178.5 | -1.2 | 0 | 0 | 108.2 | Y312 | Q310-Y312 HydrophobicContact CB-CE1 4.17Å; Q310-Y312 HydrophobicContact CB-CE2 4.33Å | ||
| 311 | I | 95.4 | Very high | 95.2 | Very high | 22 Ų | 22 | 72.2 Ų | 72.2 | 11% | 0.113 | 37% | 0.369 | C | S | . | . | trans | -108.3 | 111.1 | 173.9 | -60.1 | 167.9 | 0 | 0 | 0 | 106.2 | S313 L317 L348 A351 A353 Y356 | I311-S313 WeakPolarHBondContact CG2-O 3.14Å; I311-L317 HydrophobicContact CD1-CD1 4.12Å; I311-L317 HydrophobicContact CG2-CB 3.87Å; I311-L348 HydrophobicContact CD1-CD2 4.27Å; I311-L348 HydrophobicContact CG1-CD2 3.96Å; I311-A351 HydrophobicContact CD1-CB 4.02Å; I311-A351 HydrophobicContact CG1-CB 4.08Å; I311-A353 HydrophobicContact CD1-CB 3.8Å; I311-Y356 HydrophobicContact CB-CE2 4.39Å; I311-Y356 HydrophobicContact CD1-CE2 4.03Å; I311-Y356 HydrophobicContact CG2-CE1 4.13Å; I311-Y356 HydrophobicContact CG2-CE2 3.98Å; I311-Y356 WeakPolarHBondContact CG2-OH 3.21Å | ||
| 312 | Y | 94.6 | Very high | 95.5 | Very high | 178 Ų | 178 | 68.3 Ų | 68.3 | 70% | 0.698 | 36% | 0.359 | S | S | * | . | trans | -86.6 | -21.4 | -173.8 | -60.5 | -77.1 | 0 | 0 | 0 | 112.8 | Q310 D316 | Q310-Y312 HydrophobicContact CB-CE1 4.17Å; Q310-Y312 HydrophobicContact CB-CE2 4.33Å; Y312-D316 PolarHBondContact N-OD2 3.02Å | ||
| 313 | S | 95.7 | Very high | 95.6 | Very high | 53 Ų | 53 | 74 Ų | 74 | 37% | 0.371 | 38% | 0.381 | S | S | . | . | trans | -162.7 | 167 | 174.8 | 66 | 0 | 0 | 0 | 0 | 111.6 | I311 R315 D316 L317 | I311-S313 WeakPolarHBondContact CG2-O 3.14Å; S313-R315 PolarHBondContact O-N 2.97Å; S313-R315 PolarHBondContact OG-N 3.4Å; S313-D316 PolarHBondContact O-N 3.38Å; S313-D316 WeakPolarHBondContact OG-CB 3.48Å; S313-D316 PolarHBondContact OG-N 3.4Å; S313-D316 VanDerWaalsContact OG-N 3.07Å; S313-L317 PolarHBondContact O-N 3.1Å; S313-L317 VanDerWaalsContact O-N 3.13Å | ||
| 314 | T | 95.4 | Very high | 95.7 | Very high | 70 Ų | 70 | 73.6 Ų | 73.6 | 43% | 0.429 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -54.3 | -42.1 | 170 | -46.4 | 0 | 0 | 0 | 0 | 111.5 | L317 E318 Y356 C358 | T314-L317 WeakPolarHBondContact O-CB 3.32Å; T314-L317 PolarHBondContact O-N 3.14Å; T314-E318 WeakPolarHBondContact O-CG 3.46Å; T314-E318 PolarHBondContact O-N 3.34Å; T314-Y356 HydrophobicContact CG2-CD1 4.36Å; T314-C358 HydrophobicContact CG2-CB 4.18Å; T314-C358 VanDerWaalsContact CG2-SG 3.53Å |
| 315 | R | 96.5 | Very high | 95.8 | Very high | 176 Ų | 176 | 73.8 Ų | 73.8 | 66% | 0.664 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -65.6 | -42.2 | 179.4 | 179.1 | 174 | -179.4 | 147.5 | 7.5 | 112.5 | S313 L317 E318 D319 | S313-R315 PolarHBondContact O-N 2.97Å; S313-R315 PolarHBondContact OG-N 3.4Å; R315-L317 VanDerWaalsContact C-N 3.29Å; R315-L317 PolarHBondContact O-N 3.31Å; R315-E318 PolarHBondContact O-N 2.89Å; R315-E318 VanDerWaalsContact O-N 3.13Å; R315-D319 WeakPolarHBondContact CG-OD2 3.36Å; R315-D319 IonicContact NE-OD2 2.7Å; R315-D319 PolarHBondContact NE-OD2 3.11Å; R315-D319 WeakPolarHBondContact O-CB 3.43Å; R315-D319 PolarHBondContact O-N 3.36Å |
| 316 | D | 96.4 | Very high | 96 | Very high | 40 Ų | 40 | 74.1 Ų | 74.1 | 21% | 0.214 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.7 | -42.7 | 174.3 | 168.4 | 46.1 | 0 | 0 | 0 | 110.8 | Y312 S313 D319 N320 | Y312-D316 PolarHBondContact N-OD2 3.02Å; S313-D316 PolarHBondContact O-N 3.38Å; S313-D316 WeakPolarHBondContact OG-CB 3.48Å; S313-D316 PolarHBondContact OG-N 3.4Å; S313-D316 VanDerWaalsContact OG-N 3.07Å; D316-D319 PolarHBondContact O-N 2.72Å; D316-N320 WeakPolarHBondContact O-CB 3.49Å; D316-N320 PolarHBondContact O-N 3.21Å; D316-N320 PolarHBondContact O-ND2 3.19Å; D316-N320 PolarHBondContact OD1-ND2 3.46Å |
| 317 | L | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 172.6 | -179.8 | 59.6 | 0 | 0 | 0 | 112.7 | I311 S313 T314 R315 N320 L321 L348 A353 Y356 F359 | I311-L317 HydrophobicContact CD1-CD1 4.12Å; I311-L317 HydrophobicContact CG2-CB 3.87Å; S313-L317 PolarHBondContact O-N 3.1Å; S313-L317 VanDerWaalsContact O-N 3.13Å; T314-L317 WeakPolarHBondContact O-CB 3.32Å; T314-L317 PolarHBondContact O-N 3.14Å; R315-L317 VanDerWaalsContact C-N 3.29Å; R315-L317 PolarHBondContact O-N 3.31Å; L317-N320 PolarHBondContact O-N 2.91Å; L317-L321 HydrophobicContact CD1-CD1 3.79Å; L317-L321 HydrophobicContact CD1-CG 4Å; L317-L321 HydrophobicContact CG-CD1 3.84Å; L317-L321 HydrophobicContact CG-CG 4.43Å; L317-L321 WeakPolarHBondContact O-CB 3.33Å; L317-L321 VanDerWaalsContact O-CG 3.26Å; L317-L321 WeakPolarHBondContact O-CG 3.24Å; L317-L321 PolarHBondContact O-N 3.35Å; L317-L348 HydrophobicContact CD1-CB 4.37Å; L317-L348 HydrophobicContact CD1-CD1 4.19Å; L317-L348 HydrophobicContact CD1-CD2 3.96Å; L317-L348 HydrophobicContact CD1-CG 4.4Å; L317-A353 HydrophobicContact CD1-CB 3.71Å; L317-A353 HydrophobicContact CD2-CB 3.96Å; L317-Y356 HydrophobicContact CD2-CD1 4.31Å; L317-Y356 HydrophobicContact CD2-CD2 3.83Å; L317-Y356 HydrophobicContact CD2-CG 3.67Å; L317-F359 HydrophobicContact CD2-CD2 4.47Å |
| 318 | E | 96.8 | Very high | 96.2 | Very high | 63 Ų | 63 | 70.6 Ų | 70.6 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.9 | -45.5 | 178.1 | -65.8 | -176 | 141.7 | 0 | 0 | 112.2 | T314 R315 N320 L321 N322 C358 H362 | T314-E318 WeakPolarHBondContact O-CG 3.46Å; T314-E318 PolarHBondContact O-N 3.34Å; R315-E318 PolarHBondContact O-N 2.89Å; R315-E318 VanDerWaalsContact O-N 3.13Å; E318-N320 PolarHBondContact O-N 3.24Å; E318-L321 PolarHBondContact O-N 2.86Å; E318-N322 WeakPolarHBondContact O-CB 3.45Å; E318-N322 PolarHBondContact O-N 3.45Å; E318-N322 PolarHBondContact O-ND2 3.24Å; E318-C358 HydrophobicContact CG-CB 4Å; E318-C358 WeakPolarHBondContact OE1-CB 3.25Å; E318-H362 VanDerWaalsContact CG-CE1 3.46Å; E318-H362 WeakPolarHBondContact CG-CE1 3.47Å; E318-H362 IonicContact OE1-CE1 3.89Å; E318-H362 PolarHBondContact OE1-CE1 3.18Å |
| 319 | D | 96.8 | Very high | 96.4 | Very high | 86 Ų | 86 | 67.1 Ų | 67.1 | 46% | 0.46 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 178.1 | -73.6 | -31.2 | 0 | 0 | 0 | 110.7 | R315 D316 K323 | R315-D319 WeakPolarHBondContact CG-OD2 3.36Å; R315-D319 IonicContact NE-OD2 2.7Å; R315-D319 PolarHBondContact NE-OD2 3.11Å; R315-D319 WeakPolarHBondContact O-CB 3.43Å; R315-D319 PolarHBondContact O-N 3.36Å; D316-D319 PolarHBondContact O-N 2.72Å; D319-K323 WeakPolarHBondContact O-CB 3.37Å; D319-K323 PolarHBondContact O-N 3.42Å; D319-K323 VanDerWaalsContact O-N 3.12Å |
| 320 | N | 97.4 | Very high | 96.3 | Very high | 36 Ų | 36 | 68 Ų | 68 | 19% | 0.193 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.5 | -47.6 | 172.4 | -83.5 | -103 | 0 | 0 | 0 | 112 | D316 L317 E318 K323 I324 K344 L348 | D316-N320 WeakPolarHBondContact O-CB 3.49Å; D316-N320 PolarHBondContact O-N 3.21Å; D316-N320 PolarHBondContact O-ND2 3.19Å; D316-N320 PolarHBondContact OD1-ND2 3.46Å; L317-N320 PolarHBondContact O-N 2.91Å; E318-N320 PolarHBondContact O-N 3.24Å; N320-K323 PolarHBondContact O-N 3.27Å; N320-I324 WeakPolarHBondContact O-CD1 3.44Å; N320-I324 VanDerWaalsContact O-CG1 3.25Å; N320-I324 WeakPolarHBondContact O-CG1 3.49Å; N320-I324 PolarHBondContact O-N 3.46Å; N320-K344 WeakPolarHBondContact OD1-CE 3.38Å; N320-K344 PolarHBondContact OD1-NZ 2.78Å; N320-L348 HydrophobicContact CB-CD1 4.09Å |
| 321 | L | 97.7 | Very high | 96.2 | Very high | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.2 | -35.4 | -178 | -71.3 | 171.6 | 0 | 0 | 0 | 112.6 | L317 E318 I324 R325 L348 F359 H362 L366 | L317-L321 HydrophobicContact CD1-CD1 3.79Å; L317-L321 HydrophobicContact CD1-CG 4Å; L317-L321 HydrophobicContact CG-CD1 3.84Å; L317-L321 HydrophobicContact CG-CG 4.43Å; L317-L321 WeakPolarHBondContact O-CB 3.33Å; L317-L321 VanDerWaalsContact O-CG 3.26Å; L317-L321 WeakPolarHBondContact O-CG 3.24Å; L317-L321 PolarHBondContact O-N 3.35Å; E318-L321 PolarHBondContact O-N 2.86Å; L321-I324 HydrophobicContact CD2-CD1 4.46Å; L321-I324 PolarHBondContact O-N 3.2Å; L321-R325 VanDerWaalsContact O-CB 3.32Å; L321-R325 WeakPolarHBondContact O-CB 3.4Å; L321-R325 PolarHBondContact O-N 2.87Å; L321-L348 HydrophobicContact CD2-CD1 4.01Å; L321-L348 HydrophobicContact CG-CD1 4.41Å; L321-F359 HydrophobicContact CD1-CD2 3.88Å; L321-F359 HydrophobicContact CD1-CE2 4.32Å; L321-F359 HydrophobicContact CD2-CE2 4.39Å; L321-H362 HydrophobicContact CB-CB 4.15Å; L321-H362 HydrophobicContact CD1-CB 3.69Å; L321-L366 HydrophobicContact CD2-CD1 4.22Å |
| 322 | N | 97.4 | Very high | 96.1 | Very high | 56 Ų | 56 | 73.3 Ų | 73.3 | 30% | 0.299 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.2 | -39.4 | 175.1 | -76.6 | -63.1 | 0 | 0 | 0 | 112 | E318 R325 E326 H362 | E318-N322 WeakPolarHBondContact O-CB 3.45Å; E318-N322 PolarHBondContact O-N 3.45Å; E318-N322 PolarHBondContact O-ND2 3.24Å; N322-R325 WeakPolarHBondContact O-CB 3.49Å; N322-R325 PolarHBondContact O-N 3.31Å; N322-E326 PolarHBondContact O-N 3.12Å; N322-H362 PolarHBondContact ND2-CD2 2.86Å; N322-H362 PolarHBondContact ND2-NE2 3.29Å |
| 323 | K | 97.4 | Very high | 96.1 | Very high | 135 Ų | 135 | 68 Ų | 68 | 59% | 0.587 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.3 | -40.3 | 172.9 | -176.2 | 171.4 | -177.1 | 172.3 | 0 | 112.9 | D319 N320 R325 E326 I327 | D319-K323 WeakPolarHBondContact O-CB 3.37Å; D319-K323 PolarHBondContact O-N 3.42Å; D319-K323 VanDerWaalsContact O-N 3.12Å; N320-K323 PolarHBondContact O-N 3.27Å; K323-R325 VanDerWaalsContact C-N 3.32Å; K323-E326 PolarHBondContact O-N 3.38Å; K323-I327 HydrophobicContact CG-CD1 4.12Å; K323-I327 WeakPolarHBondContact O-CG1 3.26Å; K323-I327 PolarHBondContact O-N 2.71Å; K323-I327 VanDerWaalsContact O-N 3.16Å |
| 324 | I | 97.8 | Very high | 96.1 | Very high | 6 Ų | 6 | 68.8 Ų | 68.8 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61 | -44.1 | 172.4 | -71.7 | 163.7 | 0 | 0 | 0 | 110.5 | N320 L321 I327 C328 A341 K344 I345 L348 L366 | N320-I324 WeakPolarHBondContact O-CD1 3.44Å; N320-I324 VanDerWaalsContact O-CG1 3.25Å; N320-I324 WeakPolarHBondContact O-CG1 3.49Å; N320-I324 PolarHBondContact O-N 3.46Å; L321-I324 HydrophobicContact CD2-CD1 4.46Å; L321-I324 PolarHBondContact O-N 3.2Å; I324-I327 PolarHBondContact O-N 2.62Å; I324-C328 WeakPolarHBondContact O-CB 3.45Å; I324-C328 PolarHBondContact O-N 3.29Å; I324-A341 HydrophobicContact CG1-CB 4.42Å; I324-A341 HydrophobicContact CG2-CB 4.32Å; I324-K344 HydrophobicContact CD1-CB 4.07Å; I324-K344 HydrophobicContact CD1-CG 3.69Å; I324-K344 HydrophobicContact CG1-CB 4.48Å; I324-K344 HydrophobicContact CG1-CG 4.28Å; I324-I345 HydrophobicContact CD1-CG1 4.01Å; I324-I345 HydrophobicContact CG2-CD1 3.66Å; I324-I345 HydrophobicContact CG2-CG1 3.6Å; I324-L348 HydrophobicContact CD1-CD1 3.75Å; I324-L366 HydrophobicContact CG2-CD2 4.08Å |
| 325 | R | 97.4 | Very high | 96.1 | Very high | 95 Ų | 95 | 70.1 Ų | 70.1 | 36% | 0.358 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 178.7 | -179 | -179.3 | 171 | -125.5 | -5.7 | 112.1 | L321 N322 K323 S329 L365 L366 | L321-R325 VanDerWaalsContact O-CB 3.32Å; L321-R325 WeakPolarHBondContact O-CB 3.4Å; L321-R325 PolarHBondContact O-N 2.87Å; N322-R325 WeakPolarHBondContact O-CB 3.49Å; N322-R325 PolarHBondContact O-N 3.31Å; K323-R325 VanDerWaalsContact C-N 3.32Å; R325-S329 WeakPolarHBondContact O-CB 3.45Å; R325-S329 PolarHBondContact O-N 3.3Å; R325-S329 PolarHBondContact O-OG 2.78Å; R325-L365 WeakPolarHBondContact CD-O 3.41Å; R325-L365 PolarHBondContact NE-O 2.87Å; R325-L366 HydrophobicContact CB-CD2 3.6Å; R325-L366 HydrophobicContact CB-CG 4.37Å; R325-L366 HydrophobicContact CG-CD2 4.12Å |
| 326 | E | 96.1 | Very high | 96.1 | Very high | 133 Ų | 133 | 64.8 Ų | 64.8 | 62% | 0.621 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -55.3 | -58.2 | 174.5 | -178.3 | 177 | -157.2 | 0 | 0 | 110.8 | N322 K323 C328 S329 | N322-E326 PolarHBondContact O-N 3.12Å; K323-E326 PolarHBondContact O-N 3.38Å; E326-C328 PolarHBondContact O-N 2.86Å; E326-S329 PolarHBondContact O-N 3.41Å |
| 327 | I | 96.8 | Very high | 96.1 | Very high | 30 Ų | 30 | 67.8 Ų | 67.8 | 15% | 0.154 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.1 | -44 | -178.8 | -65.7 | 165.4 | 0 | 0 | 0 | 112 | K323 I324 Q337 R338 A341 | K323-I327 HydrophobicContact CG-CD1 4.12Å; K323-I327 WeakPolarHBondContact O-CG1 3.26Å; K323-I327 PolarHBondContact O-N 2.71Å; K323-I327 VanDerWaalsContact O-N 3.16Å; I324-I327 PolarHBondContact O-N 2.62Å; I327-Q337 HydrophobicContact CG2-CB 4.39Å; I327-R338 HydrophobicContact CG2-CG 3.71Å; I327-R338 WeakPolarHBondContact O-CD 3.47Å; I327-R338 VanDerWaalsContact O-CG 3.27Å; I327-R338 WeakPolarHBondContact O-CG 3.46Å; I327-A341 HydrophobicContact CB-CB 4.29Å; I327-A341 HydrophobicContact CG2-CB 3.93Å |
| 328 | C | 96.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.007 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -86.4 | -4.6 | -174.5 | -66.7 | 0 | 0 | 0 | 0 | 114.9 | I324 E326 A341 A369 | I324-C328 WeakPolarHBondContact O-CB 3.45Å; I324-C328 PolarHBondContact O-N 3.29Å; E326-C328 PolarHBondContact O-N 2.86Å; C328-A341 VanDerWaalsContact SG-CB 3.51Å; C328-A369 HydrophobicContact CB-CB 3.7Å; C328-A369 WeakPolarHBondContact O-CA 3.47Å; C328-A369 WeakPolarHBondContact O-CB 3.33Å |
| 329 | S | 95.8 | Very high | 96.2 | Very high | 57 Ų | 57 | 64.8 Ų | 64.8 | 40% | 0.399 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -7.8 | 179.9 | -62.3 | 0 | 0 | 0 | 0 | 114.8 | R325 E326 L372 | R325-S329 WeakPolarHBondContact O-CB 3.45Å; R325-S329 PolarHBondContact O-N 3.3Å; R325-S329 PolarHBondContact O-OG 2.78Å; E326-S329 PolarHBondContact O-N 3.41Å; S329-L372 WeakPolarHBondContact O-CD2 3.4Å |
| 330 | D | 92.8 | Very high | 96.2 | Very high | 53 Ų | 53 | 63.9 Ų | 63.9 | 28% | 0.283 | 31% | 0.307 | S | S | . | . | trans | -123.1 | 127.6 | 177.1 | 172.6 | 28.8 | 0 | 0 | 0 | 109.7 | K332 H333 R338 | D330-K332 VanDerWaalsContact C-N 3.25Å; D330-K332 PolarHBondContact O-N 2.76Å; D330-K332 PolarHBondContact OD1-N 3.38Å; D330-H333 IonicContact OD2-CE1 3.96Å; D330-H333 PolarHBondContact OD2-CE1 3.46Å; D330-H333 IonicContact OD2-ND1 3.65Å; D330-H333 PolarHBondContact OD2-ND1 3.31Å; D330-R338 WeakPolarHBondContact O-CD 3.18Å | ||
| 331 | D | 92.1 | Very high | 96.3 | Very high | 94 Ų | 94 | 62.5 Ų | 62.5 | 50% | 0.503 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -9.9 | -174.8 | 61.4 | -12.7 | 0 | 0 | 0 | 113.6 | L372 | D331-L372 HydrophobicContact CB-CD1 4.28Å; D331-L372 HydrophobicContact CB-CD2 4.25Å; D331-L372 HydrophobicContact CB-CG 4.47Å |
| 332 | K | 93.6 | Very high | 96.3 | Very high | 176 Ų | 176 | 62.5 Ų | 62.5 | 77% | 0.765 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -18.5 | 176.7 | -59.2 | 166.4 | -169 | 160.6 | 0 | 114 | D330 | D330-K332 VanDerWaalsContact C-N 3.25Å; D330-K332 PolarHBondContact O-N 2.76Å; D330-K332 PolarHBondContact OD1-N 3.38Å |
| 333 | H | 94.1 | Very high | 96.3 | Very high | 66 Ų | 66 | 62.4 Ų | 62.4 | 31% | 0.306 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -62.3 | 150.3 | 172 | -81.9 | 73.3 | 0 | 0 | 0 | 110.2 | D330 W335 R338 | D330-H333 IonicContact OD2-CE1 3.96Å; D330-H333 PolarHBondContact OD2-CE1 3.46Å; D330-H333 IonicContact OD2-ND1 3.65Å; D330-H333 PolarHBondContact OD2-ND1 3.31Å; H333-W335 PolarHBondContact O-N 3.13Å; H333-R338 HydrophobicContact CB-CG 4.16Å |
| 334 | D | 95.2 | Very high | 96.4 | Very high | 69 Ų | 69 | 58.9 Ų | 58.9 | 37% | 0.369 | 28% | 0.282 | S | S | . | . | trans | -57.1 | 142 | -177.7 | 174.7 | -102.8 | 0 | 0 | 0 | 111.7 | D336 Q337 R338 | D334-D336 WeakPolarHBondContact OD1-CA 3.45Å; D334-D336 WeakPolarHBondContact OD1-CB 3.42Å; D334-D336 PolarHBondContact OD1-N 3.14Å; D334-Q337 HydrophobicContact CB-CB 4.21Å; D334-Q337 HydrophobicContact CB-CG 3.95Å; D334-Q337 PolarHBondContact O-N 3.27Å; D334-Q337 PolarHBondContact OD1-N 3.1Å; D334-Q337 VanDerWaalsContact OD1-N 3.07Å; D334-R338 WeakPolarHBondContact O-CG 3.45Å; D334-R338 PolarHBondContact O-N 2.9Å | ||
| 335 | W | 95.7 | Very high | 96.4 | Very high | 98 Ų | 98 | 58.7 Ų | 58.7 | 37% | 0.371 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -72.4 | -31.4 | -171.1 | 69.5 | -82.3 | 0 | 0 | 0 | 112.3 | H333 C339 R378 Q380 V381 | H333-W335 PolarHBondContact O-N 3.13Å; W335-C339 PolarHBondContact O-N 3.48Å; W335-C339 PolarHBondContact O-SG 3.49Å; W335-R378 VanDerWaalsContact CG-CD 3.4Å; W335-Q380 HydrophobicContact CZ3-CB 4.23Å; W335-Q380 HydrophobicContact CZ3-CG 4.21Å; W335-V381 HydrophobicContact CB-CG2 3.95Å |
| 336 | D | 96.9 | Very high | 96.4 | Very high | 65 Ų | 65 | 54.3 Ų | 54.3 | 35% | 0.348 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -77 | -38.7 | 175.3 | -172.5 | 64.3 | 0 | 0 | 0 | 110.3 | D334 R338 C339 N340 | D334-D336 WeakPolarHBondContact OD1-CA 3.45Å; D334-D336 WeakPolarHBondContact OD1-CB 3.42Å; D334-D336 PolarHBondContact OD1-N 3.14Å; D336-R338 VanDerWaalsContact C-N 3.26Å; D336-R338 PolarHBondContact O-N 2.93Å; D336-C339 CarbonylContact O-C 3.58Å; D336-C339 WeakPolarHBondContact O-CB 3.44Å; D336-C339 PolarHBondContact O-N 2.81Å; D336-C339 VanDerWaalsContact O-N 3.09Å; D336-N340 WeakPolarHBondContact O-CB 3.31Å; D336-N340 VanDerWaalsContact O-CG 3.26Å; D336-N340 PolarHBondContact O-N 2.6Å; D336-N340 PolarHBondContact O-ND2 3.39Å; D336-N340 VanDerWaalsContact O-ND2 3.12Å; D336-N340 PolarHBondContact OD2-ND2 3.41Å |
| 337 | Q | 97 | Very high | 96.5 | Very high | 103 Ų | 103 | 48.2 Ų | 48.2 | 48% | 0.481 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -55 | -43.1 | 168.7 | -65.7 | -177.1 | 8 | 0 | 0 | 111.8 | I327 D334 N340 A341 | I327-Q337 HydrophobicContact CG2-CB 4.39Å; D334-Q337 HydrophobicContact CB-CB 4.21Å; D334-Q337 HydrophobicContact CB-CG 3.95Å; D334-Q337 PolarHBondContact O-N 3.27Å; D334-Q337 PolarHBondContact OD1-N 3.1Å; D334-Q337 VanDerWaalsContact OD1-N 3.07Å; Q337-N340 PolarHBondContact O-N 3.35Å; Q337-A341 WeakPolarHBondContact O-CB 3.16Å; Q337-A341 PolarHBondContact O-N 3.19Å |
| 338 | R | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.9 | -37 | 174.6 | -75.5 | 174.8 | 59.5 | -134.3 | -9.2 | 113 | I327 D330 H333 D334 D336 L342 S373 D376 | I327-R338 HydrophobicContact CG2-CG 3.71Å; I327-R338 WeakPolarHBondContact O-CD 3.47Å; I327-R338 VanDerWaalsContact O-CG 3.27Å; I327-R338 WeakPolarHBondContact O-CG 3.46Å; D330-R338 WeakPolarHBondContact O-CD 3.18Å; H333-R338 HydrophobicContact CB-CG 4.16Å; D334-R338 WeakPolarHBondContact O-CG 3.45Å; D334-R338 PolarHBondContact O-N 2.9Å; D336-R338 VanDerWaalsContact C-N 3.26Å; D336-R338 PolarHBondContact O-N 2.93Å; R338-L342 WeakPolarHBondContact O-CD1 3.33Å; R338-L342 WeakPolarHBondContact O-CG 3.4Å; R338-L342 PolarHBondContact O-N 3.01Å; R338-L342 VanDerWaalsContact O-N 3.12Å; R338-S373 PolarHBondContact NH2-OG 2.96Å; R338-D376 IonicContact CZ-OD2 3.85Å; R338-D376 VanDerWaalsContact CZ-OD2 3.23Å; R338-D376 IonicContact NH1-OD2 2.96Å; R338-D376 PolarHBondContact NH1-OD2 2.93Å; R338-D376 IonicContact NH2-OD2 3.47Å; R338-D376 PolarHBondContact NH2-OD2 3.26Å |
| 339 | C | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 170.9 | -69.8 | 0 | 0 | 0 | 0 | 111.9 | W335 D336 L342 K343 E384 | W335-C339 PolarHBondContact O-N 3.48Å; W335-C339 PolarHBondContact O-SG 3.49Å; D336-C339 CarbonylContact O-C 3.58Å; D336-C339 WeakPolarHBondContact O-CB 3.44Å; D336-C339 PolarHBondContact O-N 2.81Å; D336-C339 VanDerWaalsContact O-N 3.09Å; C339-L342 PolarHBondContact O-N 3.43Å; C339-K343 WeakPolarHBondContact O-CG 3.23Å; C339-K343 PolarHBondContact O-N 3.38Å; C339-E384 HydrophobicContact CB-CG 4.03Å |
| 340 | N | 97.6 | Very high | 96.6 | Very high | 67 Ų | 67 | 48.4 Ų | 48.4 | 36% | 0.358 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -71.7 | -32.8 | -178.5 | -66.4 | -34.5 | 0 | 0 | 0 | 112.3 | D336 Q337 K343 K344 | D336-N340 WeakPolarHBondContact O-CB 3.31Å; D336-N340 VanDerWaalsContact O-CG 3.26Å; D336-N340 PolarHBondContact O-N 2.6Å; D336-N340 PolarHBondContact O-ND2 3.39Å; D336-N340 VanDerWaalsContact O-ND2 3.12Å; D336-N340 PolarHBondContact OD2-ND2 3.41Å; Q337-N340 PolarHBondContact O-N 3.35Å; N340-K343 PolarHBondContact O-N 3.5Å; N340-K344 WeakPolarHBondContact O-CB 3.32Å; N340-K344 PolarHBondContact O-N 3Å |
| 341 | A | 98.1 | Very high | 96.8 | Very high | 7 Ų | 7 | 47.5 Ų | 47.5 | 6% | 0.058 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64 | -40.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I324 I327 C328 Q337 K344 I345 | I324-A341 HydrophobicContact CG1-CB 4.42Å; I324-A341 HydrophobicContact CG2-CB 4.32Å; I327-A341 HydrophobicContact CB-CB 4.29Å; I327-A341 HydrophobicContact CG2-CB 3.93Å; C328-A341 VanDerWaalsContact SG-CB 3.51Å; Q337-A341 WeakPolarHBondContact O-CB 3.16Å; Q337-A341 PolarHBondContact O-N 3.19Å; A341-K344 WeakPolarHBondContact O-CB 3.25Å; A341-K344 PolarHBondContact O-N 2.76Å; A341-I345 PolarHBondContact O-N 3.32Å |
| 342 | L | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.5 | -43.7 | 173.3 | -70 | 164 | 0 | 0 | 0 | 112.1 | R338 C339 K344 I345 F370 V381 E384 A385 T388 | R338-L342 WeakPolarHBondContact O-CD1 3.33Å; R338-L342 WeakPolarHBondContact O-CG 3.4Å; R338-L342 PolarHBondContact O-N 3.01Å; R338-L342 VanDerWaalsContact O-N 3.12Å; C339-L342 PolarHBondContact O-N 3.43Å; L342-K344 VanDerWaalsContact C-N 3.31Å; L342-K344 PolarHBondContact O-N 3.29Å; L342-I345 HydrophobicContact CD2-CD1 4.29Å; L342-I345 WeakPolarHBondContact O-CB 3.23Å; L342-I345 PolarHBondContact O-N 3.09Å; L342-F370 HydrophobicContact CD2-CD1 4.25Å; L342-F370 HydrophobicContact CD2-CE1 4.25Å; L342-V381 HydrophobicContact CD1-CG1 4.45Å; L342-E384 HydrophobicContact CB-CB 4.09Å; L342-E384 HydrophobicContact CD1-CB 3.92Å; L342-A385 HydrophobicContact CD1-CB 4.16Å; L342-T388 PolarHBondContact O-OG1 2.85Å |
| 343 | K | 98.2 | Very high | 97.1 | Very high | 54 Ų | 54 | 36.5 Ų | 36.5 | 24% | 0.235 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.8 | -41.9 | 171.5 | -70.1 | 172.8 | -172.3 | 168.4 | 0 | 111.9 | V306 C339 N340 I345 R346 S347 E384 | V306-K343 HydrophobicContact CG1-CB 3.92Å; V306-K343 HydrophobicContact CG1-CG 4.21Å; C339-K343 WeakPolarHBondContact O-CG 3.23Å; C339-K343 PolarHBondContact O-N 3.38Å; N340-K343 PolarHBondContact O-N 3.5Å; K343-I345 VanDerWaalsContact C-N 3.29Å; K343-I345 PolarHBondContact O-N 2.94Å; K343-R346 WeakPolarHBondContact O-CA 3.37Å; K343-R346 WeakPolarHBondContact O-CB 3.35Å; K343-R346 PolarHBondContact O-N 3.26Å; K343-S347 PolarHBondContact O-N 2.89Å; K343-S347 PolarHBondContact O-OG 3.32Å; K343-E384 WeakPolarHBondContact CE-OE1 3.45Å; K343-E384 IonicContact NZ-OE1 3.32Å |
| 344 | K | 97.9 | Very high | 97.1 | Very high | 61 Ų | 61 | 34.3 Ų | 34.3 | 27% | 0.265 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62 | -31.7 | 178.1 | -178.7 | 73.3 | -178.1 | -164.9 | 0 | 112.7 | V309 N320 I324 N340 A341 L342 R346 S347 L348 | V309-K344 HydrophobicContact CG1-CD 4.08Å; N320-K344 WeakPolarHBondContact OD1-CE 3.38Å; N320-K344 PolarHBondContact OD1-NZ 2.78Å; I324-K344 HydrophobicContact CD1-CB 4.07Å; I324-K344 HydrophobicContact CD1-CG 3.69Å; I324-K344 HydrophobicContact CG1-CB 4.48Å; I324-K344 HydrophobicContact CG1-CG 4.28Å; N340-K344 WeakPolarHBondContact O-CB 3.32Å; N340-K344 PolarHBondContact O-N 3Å; A341-K344 WeakPolarHBondContact O-CB 3.25Å; A341-K344 PolarHBondContact O-N 2.76Å; L342-K344 VanDerWaalsContact C-N 3.31Å; L342-K344 PolarHBondContact O-N 3.29Å; K344-R346 VanDerWaalsContact C-N 3.3Å; K344-R346 PolarHBondContact O-N 3.16Å; K344-S347 WeakPolarHBondContact O-CB 3.22Å; K344-S347 PolarHBondContact O-N 3.32Å; K344-L348 HydrophobicContact CG-CD1 4.34Å; K344-L348 VanDerWaalsContact O-CG 3.26Å; K344-L348 WeakPolarHBondContact O-CG 3.18Å; K344-L348 PolarHBondContact O-N 3.41Å |
| 345 | I | 97.9 | Very high | 97 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.4 | -43.7 | 170 | -60.7 | 172.3 | 0 | 0 | 0 | 110.3 | I324 A341 L342 K343 L348 L349 L366 F370 T388 | I324-I345 HydrophobicContact CD1-CG1 4.01Å; I324-I345 HydrophobicContact CG2-CD1 3.66Å; I324-I345 HydrophobicContact CG2-CG1 3.6Å; A341-I345 PolarHBondContact O-N 3.32Å; L342-I345 HydrophobicContact CD2-CD1 4.29Å; L342-I345 WeakPolarHBondContact O-CB 3.23Å; L342-I345 PolarHBondContact O-N 3.09Å; K343-I345 VanDerWaalsContact C-N 3.29Å; K343-I345 PolarHBondContact O-N 2.94Å; I345-L348 PolarHBondContact O-N 2.95Å; I345-L349 HydrophobicContact CG2-CD1 4.44Å; I345-L349 WeakPolarHBondContact O-CG 3.49Å; I345-L349 PolarHBondContact O-N 3.12Å; I345-L366 HydrophobicContact CD1-CD1 4.32Å; I345-F370 HydrophobicContact CD1-CE1 3.59Å; I345-F370 HydrophobicContact CD1-CZ 3.81Å; I345-T388 HydrophobicContact CB-CG2 3.78Å; I345-T388 HydrophobicContact CD1-CG2 4.08Å; I345-T388 HydrophobicContact CG2-CG2 3.72Å |
| 346 | R | 98 | Very high | 97.1 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 1% | 0.011 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.7 | -40.9 | 177.6 | -52.2 | -161.1 | -62.1 | -88.4 | 14.2 | 111.7 | A302 V306 K343 K344 L348 L349 V350 E384 T388 | A302-R346 VanDerWaalsContact O-CZ 3.32Å; A302-R346 PolarHBondContact O-NE 2.96Å; A302-R346 PolarHBondContact O-NH2 3.46Å; V306-R346 HydrophobicContact CG1-CB 4.07Å; V306-R346 HydrophobicContact CG2-CB 4.19Å; K343-R346 WeakPolarHBondContact O-CA 3.37Å; K343-R346 WeakPolarHBondContact O-CB 3.35Å; K343-R346 PolarHBondContact O-N 3.26Å; K344-R346 VanDerWaalsContact C-N 3.3Å; K344-R346 PolarHBondContact O-N 3.16Å; R346-L348 VanDerWaalsContact C-N 3.28Å; R346-L348 PolarHBondContact O-N 3.13Å; R346-L349 WeakPolarHBondContact O-CB 3.5Å; R346-L349 PolarHBondContact O-N 3.02Å; R346-L349 VanDerWaalsContact O-N 3.16Å; R346-V350 WeakPolarHBondContact O-CG2 3.32Å; R346-V350 PolarHBondContact O-N 2.87Å; R346-E384 IonicContact CZ-OE2 3.57Å; R346-E384 VanDerWaalsContact CZ-OE2 3.25Å; R346-E384 IonicContact NH1-OE2 2.84Å; R346-E384 PolarHBondContact NH1-OE2 2.86Å; R346-E384 IonicContact NH2-OE2 2.71Å; R346-E384 PolarHBondContact NH2-OE2 3.39Å; R346-T388 HydrophobicContact CG-CG2 4.01Å; R346-T388 PolarHBondContact NH1-OG1 3.38Å |
| 347 | S | 98.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 37 Ų | 37 | 4% | 0.035 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -55.4 | -44.1 | 171.7 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | P307 V309 K343 K344 V350 A351 | P307-S347 VanDerWaalsContact O-CB 3.27Å; P307-S347 WeakPolarHBondContact O-CB 3.16Å; P307-S347 PolarHBondContact O-OG 3.05Å; V309-S347 WeakPolarHBondContact CG2-O 3.41Å; K343-S347 PolarHBondContact O-N 2.89Å; K343-S347 PolarHBondContact O-OG 3.32Å; K344-S347 WeakPolarHBondContact O-CB 3.22Å; K344-S347 PolarHBondContact O-N 3.32Å; S347-V350 PolarHBondContact O-N 3.18Å; S347-A351 WeakPolarHBondContact O-CB 3.46Å; S347-A351 PolarHBondContact O-N 3.25Å |
| 348 | L | 97.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.2 | -38.3 | 178.1 | -68.5 | 166.5 | 0 | 0 | 0 | 112.1 | V309 I311 L317 N320 L321 I324 K344 I345 R346 A351 G352 A353 | V309-L348 HydrophobicContact CG2-CD2 4.1Å; V309-L348 HydrophobicContact CG2-CG 4.49Å; I311-L348 HydrophobicContact CD1-CD2 4.27Å; I311-L348 HydrophobicContact CG1-CD2 3.96Å; L317-L348 HydrophobicContact CD1-CB 4.37Å; L317-L348 HydrophobicContact CD1-CD1 4.19Å; L317-L348 HydrophobicContact CD1-CD2 3.96Å; L317-L348 HydrophobicContact CD1-CG 4.4Å; N320-L348 HydrophobicContact CB-CD1 4.09Å; L321-L348 HydrophobicContact CD2-CD1 4.01Å; L321-L348 HydrophobicContact CG-CD1 4.41Å; I324-L348 HydrophobicContact CD1-CD1 3.75Å; K344-L348 HydrophobicContact CG-CD1 4.34Å; K344-L348 VanDerWaalsContact O-CG 3.26Å; K344-L348 WeakPolarHBondContact O-CG 3.18Å; K344-L348 PolarHBondContact O-N 3.41Å; I345-L348 PolarHBondContact O-N 2.95Å; R346-L348 VanDerWaalsContact C-N 3.28Å; R346-L348 PolarHBondContact O-N 3.13Å; L348-A351 CarbonylContact O-C 3.59Å; L348-A351 PolarHBondContact O-N 3.01Å; L348-G352 PolarHBondContact O-N 3.4Å; L348-A353 HydrophobicContact CB-CB 4.03Å; L348-A353 WeakPolarHBondContact O-CB 3.4Å; L348-A353 PolarHBondContact O-N 3.19Å |
| 349 | L | 96.9 | Very high | 96.6 | Very high | 9 Ų | 9 | 32.7 Ų | 32.7 | 5% | 0.047 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.7 | -47.1 | 172.6 | -76.2 | 168.8 | 0 | 0 | 0 | 111.9 | I345 R346 A351 G352 A354 F359 L392 V395 | I345-L349 HydrophobicContact CG2-CD1 4.44Å; I345-L349 WeakPolarHBondContact O-CG 3.49Å; I345-L349 PolarHBondContact O-N 3.12Å; R346-L349 WeakPolarHBondContact O-CB 3.5Å; R346-L349 PolarHBondContact O-N 3.02Å; R346-L349 VanDerWaalsContact O-N 3.16Å; L349-A351 VanDerWaalsContact C-N 3.26Å; L349-A351 PolarHBondContact O-N 3.14Å; L349-G352 PolarHBondContact O-N 3Å; L349-A354 HydrophobicContact CD2-CB 4.35Å; L349-F359 HydrophobicContact CD2-CE1 4.03Å; L349-F359 HydrophobicContact CD2-CE2 4.41Å; L349-F359 HydrophobicContact CD2-CZ 3.59Å; L349-F359 HydrophobicContact CG-CZ 4.31Å; L349-L392 HydrophobicContact CD1-CD2 3.8Å; L349-L392 HydrophobicContact CD1-CG 3.96Å; L349-L392 HydrophobicContact CD2-CD2 4.11Å; L349-L392 HydrophobicContact CG-CD2 4.42Å; L349-V395 HydrophobicContact CD2-CB 4.5Å; L349-V395 HydrophobicContact CD2-CG1 4.22Å |
| 350 | V | 96.9 | Very high | 96.5 | Very high | 82 Ų | 82 | 35.6 Ų | 35.6 | 50% | 0.497 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.3 | -34.2 | 175.5 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | T304 R346 S347 G352 | T304-V350 HydrophobicContact CG2-CG2 4.07Å; R346-V350 WeakPolarHBondContact O-CG2 3.32Å; R346-V350 PolarHBondContact O-N 2.87Å; S347-V350 PolarHBondContact O-N 3.18Å; V350-G352 PolarHBondContact O-N 2.94Å |
| 351 | A | 96.3 | Very high | 96.3 | Very high | 34 Ų | 34 | 38.6 Ų | 38.6 | 28% | 0.281 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 6.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | V309 I311 S347 L348 L349 | V309-A351 HydrophobicContact CG2-CB 3.77Å; V309-A351 WeakPolarHBondContact O-CB 3.38Å; I311-A351 HydrophobicContact CD1-CB 4.02Å; I311-A351 HydrophobicContact CG1-CB 4.08Å; S347-A351 WeakPolarHBondContact O-CB 3.46Å; S347-A351 PolarHBondContact O-N 3.25Å; L348-A351 CarbonylContact O-C 3.59Å; L348-A351 PolarHBondContact O-N 3.01Å; L349-A351 VanDerWaalsContact C-N 3.26Å; L349-A351 PolarHBondContact O-N 3.14Å |
| 352 | G | 95.2 | Very high | 96.2 | Very high | 38 Ų | 38 | 39 Ų | 39 | 39% | 0.392 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | 15.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | L348 L349 V350 A354 G355 | L348-G352 PolarHBondContact O-N 3.4Å; L349-G352 PolarHBondContact O-N 3Å; V350-G352 PolarHBondContact O-N 2.94Å; G352-A354 PolarHBondContact O-N 3.08Å; G352-G355 PolarHBondContact O-N 2.97Å |
| 353 | A | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -51.9 | -31.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | I311 L317 L348 G355 Y356 F359 | I311-A353 HydrophobicContact CD1-CB 3.8Å; L317-A353 HydrophobicContact CD1-CB 3.71Å; L317-A353 HydrophobicContact CD2-CB 3.96Å; L348-A353 HydrophobicContact CB-CB 4.03Å; L348-A353 WeakPolarHBondContact O-CB 3.4Å; L348-A353 PolarHBondContact O-N 3.19Å; A353-G355 PolarHBondContact O-N 2.7Å; A353-G355 VanDerWaalsContact O-N 3.11Å; A353-Y356 PolarHBondContact O-N 2.89Å; A353-F359 HydrophobicContact CB-CD2 3.65Å; A353-F359 HydrophobicContact CB-CE2 3.75Å; A353-F359 HydrophobicContact CB-CG 4.46Å; A353-F359 VanDerWaalsContact O-CB 3.26Å; A353-F359 WeakPolarHBondContact O-CB 3.5Å; A353-F359 WeakPolarHBondContact O-CG 3.48Å |
| 354 | A | 94.9 | Very high | 95.8 | Very high | 20 Ų | 20 | 45 Ų | 45 | 17% | 0.165 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -63 | -12.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L349 G352 F359 Y360 V395 L396 | L349-A354 HydrophobicContact CD2-CB 4.35Å; G352-A354 PolarHBondContact O-N 3.08Å; A354-F359 HydrophobicContact CB-CD1 4.49Å; A354-Y360 PolarHBondContact O-OH 2.89Å; A354-V395 HydrophobicContact CB-CG1 3.96Å; A354-L396 HydrophobicContact CB-CD2 3.63Å |
| 355 | G | 94 | Very high | 95.7 | Very high | 69 Ų | 69 | 45.4 Ų | 45.4 | 71% | 0.711 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -86.7 | -7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | G352 A353 | G352-G355 PolarHBondContact O-N 2.97Å; A353-G355 PolarHBondContact O-N 2.7Å; A353-G355 VanDerWaalsContact O-N 3.11Å |
| 356 | Y | 96 | Very high | 95.6 | Very high | 66 Ų | 66 | 45.4 Ų | 45.4 | 26% | 0.259 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -95.4 | 131 | 178 | -68 | -104.4 | 0 | 0 | 0 | 110.6 | I311 T314 L317 A353 C358 F359 | I311-Y356 HydrophobicContact CB-CE2 4.39Å; I311-Y356 HydrophobicContact CD1-CE2 4.03Å; I311-Y356 HydrophobicContact CG2-CE1 4.13Å; I311-Y356 HydrophobicContact CG2-CE2 3.98Å; I311-Y356 WeakPolarHBondContact CG2-OH 3.21Å; T314-Y356 HydrophobicContact CG2-CD1 4.36Å; L317-Y356 HydrophobicContact CD2-CD1 4.31Å; L317-Y356 HydrophobicContact CD2-CD2 3.83Å; L317-Y356 HydrophobicContact CD2-CG 3.67Å; A353-Y356 PolarHBondContact O-N 2.89Å; Y356-C358 VanDerWaalsContact C-N 3.27Å; Y356-C358 PolarHBondContact O-N 2.92Å; Y356-F359 WeakPolarHBondContact O-CB 3.49Å; Y356-F359 PolarHBondContact O-N 3.2Å |
| 357 | D | 92.5 | Very high | 95.4 | Very high | 154 Ų | 154 | 45.9 Ų | 45.9 | 82% | 0.824 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -36.5 | -175.8 | -62.4 | -60.3 | 0 | 0 | 0 | 113.6 | F359 | D357-F359 PolarHBondContact O-N 3.27Š|
| 358 | C | 94.3 | Very high | 95.3 | Very high | 11 Ų | 11 | 47.9 Ų | 47.9 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65 | -18.6 | 179 | 68.4 | 0 | 0 | 0 | 0 | 113.9 | T314 E318 Y356 Q361 H362 | T314-C358 HydrophobicContact CG2-CB 4.18Å; T314-C358 VanDerWaalsContact CG2-SG 3.53Å; E318-C358 HydrophobicContact CG-CB 4Å; E318-C358 WeakPolarHBondContact OE1-CB 3.25Å; Y356-C358 VanDerWaalsContact C-N 3.27Å; Y356-C358 PolarHBondContact O-N 2.92Å; C358-Q361 PolarHBondContact O-N 3.09Å; C358-H362 PolarHBondContact O-N 3.01Å; C358-H362 VanDerWaalsContact O-N 3.07Å; C358-H362 PolarHBondContact O-ND1 3.32Å |
| 359 | F | 96.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.009 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.1 | -46.4 | -173.9 | -177.2 | -100.7 | 0 | 0 | 0 | 112.1 | L317 L321 L349 A353 A354 Y356 D357 Q361 H362 L363 L392 L396 | L317-F359 HydrophobicContact CD2-CD2 4.47Å; L321-F359 HydrophobicContact CD1-CD2 3.88Å; L321-F359 HydrophobicContact CD1-CE2 4.32Å; L321-F359 HydrophobicContact CD2-CE2 4.39Å; L349-F359 HydrophobicContact CD2-CE1 4.03Å; L349-F359 HydrophobicContact CD2-CE2 4.41Å; L349-F359 HydrophobicContact CD2-CZ 3.59Å; L349-F359 HydrophobicContact CG-CZ 4.31Å; A353-F359 HydrophobicContact CB-CD2 3.65Å; A353-F359 HydrophobicContact CB-CE2 3.75Å; A353-F359 HydrophobicContact CB-CG 4.46Å; A353-F359 VanDerWaalsContact O-CB 3.26Å; A353-F359 WeakPolarHBondContact O-CB 3.5Å; A353-F359 WeakPolarHBondContact O-CG 3.48Å; A354-F359 HydrophobicContact CB-CD1 4.49Å; Y356-F359 WeakPolarHBondContact O-CB 3.49Å; Y356-F359 PolarHBondContact O-N 3.2Å; D357-F359 PolarHBondContact O-N 3.27Å; F359-Q361 VanDerWaalsContact C-N 3.27Å; F359-Q361 PolarHBondContact O-N 3.5Å; F359-H362 PolarHBondContact O-N 3.13Å; F359-L363 HydrophobicContact CE1-CD2 4.25Å; F359-L363 WeakPolarHBondContact O-CB 3.36Å; F359-L363 PolarHBondContact O-N 2.86Å; F359-L392 HydrophobicContact CE1-CD2 4.31Å; F359-L392 HydrophobicContact CZ-CD2 4.03Å; F359-L396 HydrophobicContact CE1-CD1 4.19Å; F359-L396 HydrophobicContact CE1-CD2 4.14Å |
| 360 | Y | 93.8 | Very high | 95.3 | Very high | 60 Ų | 60 | 47.5 Ų | 47.5 | 24% | 0.235 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66 | -29.8 | -179.3 | -63 | -85.1 | 0 | 0 | 0 | 112.7 | A354 L396 K399 | A354-Y360 PolarHBondContact O-OH 2.89Å; Y360-L396 HydrophobicContact CE1-CD2 3.84Å; Y360-K399 HydrophobicContact CE1-CB 3.79Å; Y360-K399 HydrophobicContact CE1-CD 3.83Å; Y360-K399 HydrophobicContact CE1-CG 4.48Å; Y360-K399 WeakPolarHBondContact OH-CD 3.26Å; Y360-K399 PolarHBondContact OH-NZ 3.38Å |
| 361 | Q | 94.6 | Very high | 95.3 | Very high | 131 Ų | 131 | 46.9 Ų | 46.9 | 61% | 0.612 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -70 | -48.3 | 173.3 | 179.3 | 172.5 | -21.1 | 0 | 0 | 111 | C358 F359 L363 R364 L365 | C358-Q361 PolarHBondContact O-N 3.09Å; F359-Q361 VanDerWaalsContact C-N 3.27Å; F359-Q361 PolarHBondContact O-N 3.5Å; Q361-L363 VanDerWaalsContact C-N 3.31Å; Q361-L363 PolarHBondContact O-N 3.28Å; Q361-R364 PolarHBondContact O-N 3.37Å; Q361-L365 PolarHBondContact O-N 2.96Å |
| 362 | H | 95.2 | Very high | 95.4 | Very high | 16 Ų | 16 | 47.8 Ų | 47.8 | 7% | 0.074 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.5 | -31.6 | 177.7 | -74.8 | 83.9 | 0 | 0 | 0 | 113 | E318 L321 N322 C358 F359 R364 L365 L366 | E318-H362 VanDerWaalsContact CG-CE1 3.46Å; E318-H362 WeakPolarHBondContact CG-CE1 3.47Å; E318-H362 IonicContact OE1-CE1 3.89Å; E318-H362 PolarHBondContact OE1-CE1 3.18Å; L321-H362 HydrophobicContact CB-CB 4.15Å; L321-H362 HydrophobicContact CD1-CB 3.69Å; N322-H362 PolarHBondContact ND2-CD2 2.86Å; N322-H362 PolarHBondContact ND2-NE2 3.29Å; C358-H362 PolarHBondContact O-N 3.01Å; C358-H362 VanDerWaalsContact O-N 3.07Å; C358-H362 PolarHBondContact O-ND1 3.32Å; F359-H362 PolarHBondContact O-N 3.13Å; H362-R364 VanDerWaalsContact C-N 3.35Å; H362-R364 PolarHBondContact O-N 3.08Å; H362-L365 WeakPolarHBondContact O-CA 3.36Å; H362-L365 WeakPolarHBondContact O-CB 3.45Å; H362-L365 PolarHBondContact O-N 3.35Å; H362-L366 PolarHBondContact O-N 2.92Å; H362-L366 VanDerWaalsContact O-N 3.16Å |
| 363 | L | 94.6 | Very high | 95.5 | Very high | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.073 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.2 | -40.2 | 176.6 | -170.6 | 65.2 | 0 | 0 | 0 | 112.3 | F359 Q361 L365 L366 D367 F370 L392 L396 F400 | F359-L363 HydrophobicContact CE1-CD2 4.25Å; F359-L363 WeakPolarHBondContact O-CB 3.36Å; F359-L363 PolarHBondContact O-N 2.86Å; Q361-L363 VanDerWaalsContact C-N 3.31Å; Q361-L363 PolarHBondContact O-N 3.28Å; L363-L365 VanDerWaalsContact C-N 3.27Å; L363-L365 PolarHBondContact O-N 3.06Å; L363-L366 WeakPolarHBondContact O-CB 3.16Å; L363-L366 PolarHBondContact O-N 3.11Å; L363-L366 VanDerWaalsContact O-N 3.1Å; L363-D367 PolarHBondContact O-N 2.69Å; L363-F370 HydrophobicContact CD1-CE2 3.81Å; L363-F370 HydrophobicContact CD1-CZ 4.11Å; L363-L392 HydrophobicContact CD1-CD1 3.84Å; L363-L392 HydrophobicContact CD1-CD2 3.59Å; L363-L392 HydrophobicContact CD1-CG 4.38Å; L363-L392 HydrophobicContact CD2-CD2 4.09Å; L363-L396 HydrophobicContact CD2-CD1 3.52Å; L363-F400 HydrophobicContact CD2-CD2 3.97Å; L363-F400 HydrophobicContact CD2-CE2 4.14Å |
| 364 | R | 94.1 | Very high | 95.5 | Very high | 165 Ų | 165 | 46 Ų | 46 | 62% | 0.623 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -65.2 | -30.4 | 172.9 | -67.4 | 174.7 | 179.2 | 173.7 | 0.2 | 112.5 | Q361 H362 L366 D367 | Q361-R364 PolarHBondContact O-N 3.37Å; H362-R364 VanDerWaalsContact C-N 3.35Å; H362-R364 PolarHBondContact O-N 3.08Å; R364-L366 VanDerWaalsContact C-N 3.25Å; R364-L366 PolarHBondContact O-N 3.03Å; R364-D367 PolarHBondContact O-N 3.31Å |
| 365 | L | 95.2 | Very high | 95.6 | Very high | 70 Ų | 70 | 51.3 Ų | 51.3 | 37% | 0.366 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -72.7 | -19.5 | 174.7 | -60.9 | 178.3 | 0 | 0 | 0 | 112.7 | R325 Q361 H362 L363 | R325-L365 WeakPolarHBondContact CD-O 3.41Å; R325-L365 PolarHBondContact NE-O 2.87Å; Q361-L365 PolarHBondContact O-N 2.96Å; H362-L365 WeakPolarHBondContact O-CA 3.36Å; H362-L365 WeakPolarHBondContact O-CB 3.45Å; H362-L365 PolarHBondContact O-N 3.35Å; L363-L365 VanDerWaalsContact C-N 3.27Å; L363-L365 PolarHBondContact O-N 3.06Å |
| 366 | L | 96.1 | Very high | 95.7 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -9.7 | 175.5 | -74.4 | 164.1 | 0 | 0 | 0 | 114.1 | L321 I324 R325 I345 H362 L363 R364 G368 A369 F370 | L321-L366 HydrophobicContact CD2-CD1 4.22Å; I324-L366 HydrophobicContact CG2-CD2 4.08Å; R325-L366 HydrophobicContact CB-CD2 3.6Å; R325-L366 HydrophobicContact CB-CG 4.37Å; R325-L366 HydrophobicContact CG-CD2 4.12Å; I345-L366 HydrophobicContact CD1-CD1 4.32Å; H362-L366 PolarHBondContact O-N 2.92Å; H362-L366 VanDerWaalsContact O-N 3.16Å; L363-L366 WeakPolarHBondContact O-CB 3.16Å; L363-L366 PolarHBondContact O-N 3.11Å; L363-L366 VanDerWaalsContact O-N 3.1Å; R364-L366 VanDerWaalsContact C-N 3.25Å; R364-L366 PolarHBondContact O-N 3.03Å; L366-G368 PolarHBondContact O-N 3.37Å; L366-G368 VanDerWaalsContact O-N 3.13Å; L366-A369 HydrophobicContact CD2-CB 4.23Å; L366-A369 WeakPolarHBondContact O-CA 3.41Å; L366-A369 WeakPolarHBondContact O-CB 3.26Å; L366-A369 PolarHBondContact O-N 3.02Å; L366-F370 HydrophobicContact CB-CD2 4.04Å; L366-F370 HydrophobicContact CB-CE2 3.53Å; L366-F370 HydrophobicContact CB-CZ 3.99Å; L366-F370 HydrophobicContact CD1-CZ 4.32Å; L366-F370 VanDerWaalsContact O-CD2 3.31Å; L366-F370 WeakPolarHBondContact O-CD2 3.37Å; L366-F370 PolarHBondContact O-N 3.48Å |
| 367 | D | 94.6 | Very high | 95.5 | Very high | 12 Ų | 12 | 53.5 Ų | 53.5 | 6% | 0.064 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -54.8 | -36 | -178.7 | -82.4 | -44.5 | 0 | 0 | 0 | 113.4 | L363 R364 K371 H402 | L363-D367 PolarHBondContact O-N 2.69Å; R364-D367 PolarHBondContact O-N 3.31Å; D367-K371 WeakPolarHBondContact O-CB 3.31Å; D367-K371 VanDerWaalsContact O-CD 3.26Å; D367-K371 WeakPolarHBondContact O-CD 3.49Å; D367-K371 WeakPolarHBondContact O-CG 3.35Å; D367-K371 PolarHBondContact O-N 3.07Å; D367-K371 VanDerWaalsContact O-N 3.11Å; D367-H402 IonicContact OD2-CD2 2.74Å; D367-H402 PolarHBondContact OD2-CD2 2.89Å; D367-H402 VanDerWaalsContact OD2-CD2 3.3Å; D367-H402 IonicContact OD2-NE2 3.23Å |
| 368 | G | 96.1 | Very high | 95.6 | Very high | 47 Ų | 47 | 51.8 Ų | 51.8 | 49% | 0.485 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.1 | -45.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L366 K371 L372 | L366-G368 PolarHBondContact O-N 3.37Å; L366-G368 VanDerWaalsContact O-N 3.13Å; G368-K371 PolarHBondContact O-N 2.94Å; G368-L372 WeakPolarHBondContact O-CB 3.29Å; G368-L372 PolarHBondContact O-N 3.09Å |
| 369 | A | 96.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.9 | -39 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | C328 L366 L372 S373 | C328-A369 HydrophobicContact CB-CB 3.7Å; C328-A369 WeakPolarHBondContact O-CA 3.47Å; C328-A369 WeakPolarHBondContact O-CB 3.33Å; L366-A369 HydrophobicContact CD2-CB 4.23Å; L366-A369 WeakPolarHBondContact O-CA 3.41Å; L366-A369 WeakPolarHBondContact O-CB 3.26Å; L366-A369 PolarHBondContact O-N 3.02Å; A369-L372 PolarHBondContact O-N 2.99Å; A369-S373 WeakPolarHBondContact O-CB 3.33Å; A369-S373 PolarHBondContact O-N 2.97Å; A369-S373 PolarHBondContact O-OG 3.28Å |
| 370 | F | 97.5 | Very high | 95.5 | Very high | 3 Ų | 3 | 56.5 Ų | 56.5 | 1% | 0.013 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.7 | -45.6 | 172 | -63.9 | -51.9 | 0 | 0 | 0 | 111.7 | L342 I345 L363 L366 L372 S373 A374 T388 V389 L392 I407 | L342-F370 HydrophobicContact CD2-CD1 4.25Å; L342-F370 HydrophobicContact CD2-CE1 4.25Å; I345-F370 HydrophobicContact CD1-CE1 3.59Å; I345-F370 HydrophobicContact CD1-CZ 3.81Å; L363-F370 HydrophobicContact CD1-CE2 3.81Å; L363-F370 HydrophobicContact CD1-CZ 4.11Å; L366-F370 HydrophobicContact CB-CD2 4.04Å; L366-F370 HydrophobicContact CB-CE2 3.53Å; L366-F370 HydrophobicContact CB-CZ 3.99Å; L366-F370 HydrophobicContact CD1-CZ 4.32Å; L366-F370 VanDerWaalsContact O-CD2 3.31Å; L366-F370 WeakPolarHBondContact O-CD2 3.37Å; L366-F370 PolarHBondContact O-N 3.48Å; F370-L372 VanDerWaalsContact C-N 3.27Å; F370-L372 PolarHBondContact O-N 3.25Å; F370-S373 PolarHBondContact O-N 2.98Å; F370-A374 WeakPolarHBondContact O-CB 3.44Å; F370-A374 PolarHBondContact O-N 3.39Å; F370-T388 HydrophobicContact CE1-CG2 4.05Å; F370-V389 HydrophobicContact CB-CG2 4.3Å; F370-V389 HydrophobicContact CD1-CG2 4.02Å; F370-V389 HydrophobicContact CG-CG2 4.14Å; F370-L392 HydrophobicContact CE1-CD1 4.12Å; F370-L392 HydrophobicContact CE2-CD1 3.97Å; F370-L392 HydrophobicContact CZ-CD1 3.52Å; F370-I407 HydrophobicContact CB-CD1 4.02Å |
| 371 | K | 97.4 | Very high | 95.7 | Very high | 68 Ų | 68 | 53.7 Ų | 53.7 | 30% | 0.296 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.3 | -29.4 | 177.6 | -73.2 | 165.6 | -177.2 | 151.8 | 0 | 113.3 | D367 G368 K375 A406 I407 V410 | D367-K371 WeakPolarHBondContact O-CB 3.31Å; D367-K371 VanDerWaalsContact O-CD 3.26Å; D367-K371 WeakPolarHBondContact O-CD 3.49Å; D367-K371 WeakPolarHBondContact O-CG 3.35Å; D367-K371 PolarHBondContact O-N 3.07Å; D367-K371 VanDerWaalsContact O-N 3.11Å; G368-K371 PolarHBondContact O-N 2.94Å; K371-K375 VanDerWaalsContact O-CD 3.3Å; K371-K375 WeakPolarHBondContact O-CD 3.3Å; K371-K375 VanDerWaalsContact O-CG 3.25Å; K371-K375 WeakPolarHBondContact O-CG 3.5Å; K371-A406 WeakPolarHBondContact CE-O 2.99Å; K371-I407 HydrophobicContact CG-CD1 3.95Å; K371-V410 HydrophobicContact CB-CG2 4.47Å; K371-V410 HydrophobicContact CG-CG2 4.1Å |
| 372 | L | 97.4 | Very high | 95.8 | Very high | 53 Ų | 53 | 47.4 Ų | 47.4 | 28% | 0.277 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -76.2 | -51.2 | 174.4 | -176.2 | 63.5 | 0 | 0 | 0 | 110.9 | S329 D331 G368 A369 F370 A374 K375 D376 | S329-L372 WeakPolarHBondContact O-CD2 3.4Å; D331-L372 HydrophobicContact CB-CD1 4.28Å; D331-L372 HydrophobicContact CB-CD2 4.25Å; D331-L372 HydrophobicContact CB-CG 4.47Å; G368-L372 WeakPolarHBondContact O-CB 3.29Å; G368-L372 PolarHBondContact O-N 3.09Å; A369-L372 PolarHBondContact O-N 2.99Å; F370-L372 VanDerWaalsContact C-N 3.27Å; F370-L372 PolarHBondContact O-N 3.25Å; L372-A374 PolarHBondContact O-N 2.72Å; L372-K375 CarbonylContact O-C 3.55Å; L372-K375 WeakPolarHBondContact O-CA 3.45Å; L372-K375 PolarHBondContact O-N 3.06Å; L372-D376 PolarHBondContact O-N 3.39Å |
| 373 | S | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.8 | -30.5 | -176.9 | -57.4 | 0 | 0 | 0 | 0 | 113.4 | R338 A369 F370 K375 D376 | R338-S373 PolarHBondContact NH2-OG 2.96Å; A369-S373 WeakPolarHBondContact O-CB 3.33Å; A369-S373 PolarHBondContact O-N 2.97Å; A369-S373 PolarHBondContact O-OG 3.28Å; F370-S373 PolarHBondContact O-N 2.98Å; S373-K375 PolarHBondContact O-N 3.27Å; S373-D376 PolarHBondContact O-N 3.12Å |
| 374 | A | 97.3 | Very high | 96 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 2.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | F370 L372 A385 I407 V410 | F370-A374 WeakPolarHBondContact O-CB 3.44Å; F370-A374 PolarHBondContact O-N 3.39Å; L372-A374 PolarHBondContact O-N 2.72Å; A374-A385 HydrophobicContact CB-CB 4.26Å; A374-I407 HydrophobicContact CB-CD1 4.26Å; A374-V410 HydrophobicContact CB-CG1 3.96Å |
| 375 | K | 96 | Very high | 96.2 | Very high | 132 Ų | 132 | 41.6 Ų | 41.6 | 57% | 0.574 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.4 | 9.4 | 173.4 | -67.4 | 178.6 | -174.9 | 179.3 | 0 | 113 | K371 L372 S373 V410 | K371-K375 VanDerWaalsContact O-CD 3.3Å; K371-K375 WeakPolarHBondContact O-CD 3.3Å; K371-K375 VanDerWaalsContact O-CG 3.25Å; K371-K375 WeakPolarHBondContact O-CG 3.5Å; L372-K375 CarbonylContact O-C 3.55Å; L372-K375 WeakPolarHBondContact O-CA 3.45Å; L372-K375 PolarHBondContact O-N 3.06Å; S373-K375 PolarHBondContact O-N 3.27Å; K375-V410 HydrophobicContact CD-CG1 4.27Å; K375-V410 HydrophobicContact CG-CG1 3.64Å |
| 376 | D | 95.6 | Very high | 96.3 | Very high | 16 Ų | 16 | 38.3 Ų | 38.3 | 9% | 0.086 | 19% | 0.193 | C | C | . | . | trans | -63 | 150.5 | -177 | -153.5 | -78.3 | 0 | 0 | 0 | 112 | R338 L372 S373 R378 V381 V382 M422 | R338-D376 IonicContact CZ-OD2 3.85Å; R338-D376 VanDerWaalsContact CZ-OD2 3.23Å; R338-D376 IonicContact NH1-OD2 2.96Å; R338-D376 PolarHBondContact NH1-OD2 2.93Å; R338-D376 IonicContact NH2-OD2 3.47Å; R338-D376 PolarHBondContact NH2-OD2 3.26Å; L372-D376 PolarHBondContact O-N 3.39Å; S373-D376 PolarHBondContact O-N 3.12Å; D376-R378 PolarHBondContact O-N 3.39Å; D376-R378 WeakPolarHBondContact OD1-CB 3.37Å; D376-R378 PolarHBondContact OD1-N 2.9Å; D376-R378 IonicContact OD1-NH1 2.67Å; D376-V381 HydrophobicContact CB-CB 3.76Å; D376-V381 HydrophobicContact CB-CG1 3.73Å; D376-V382 HydrophobicContact CB-CG2 3.99Å; D376-V382 VanDerWaalsContact O-CG2 3.27Å; D376-V382 WeakPolarHBondContact O-CG2 3.42Å; D376-M422 WeakPolarHBondContact O-CE 3.42Å | ||
| 377 | L | 92.6 | Very high | 96.4 | Very high | 165 Ų | 165 | 38.2 Ų | 38.2 | 86% | 0.864 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -69.6 | -22.5 | 174 | -61.4 | 178.1 | 0 | 0 | 0 | 111.8 | M422 | L377-M422 WeakPolarHBondContact O-CE 3.49Š|
| 378 | R | 94.4 | Very high | 96.6 | Very high | 118 Ų | 118 | 37.7 Ų | 37.7 | 45% | 0.445 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -91.7 | 122.1 | 179.8 | -63.6 | 175.6 | -175 | 84.8 | -7.2 | 111 | W335 D376 Q380 V381 V382 | W335-R378 VanDerWaalsContact CG-CD 3.4Å; D376-R378 PolarHBondContact O-N 3.39Å; D376-R378 WeakPolarHBondContact OD1-CB 3.37Å; D376-R378 PolarHBondContact OD1-N 2.9Å; D376-R378 IonicContact OD1-NH1 2.67Å; R378-Q380 PolarHBondContact O-N 3.37Å; R378-V381 HydrophobicContact CB-CG2 4.14Å; R378-V381 PolarHBondContact O-N 3.07Å; R378-V381 VanDerWaalsContact O-N 3.16Å; R378-V382 PolarHBondContact O-N 3.46Å |
| 379 | S | 94.5 | Very high | 96.7 | Very high | 49 Ų | 49 | 35.5 Ų | 35.5 | 34% | 0.343 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -56.9 | -32.6 | -179.7 | 51.5 | 0 | 0 | 0 | 0 | 113.6 | R383 | S379-R383 VanDerWaalsContact O-CB 3.28Å; S379-R383 WeakPolarHBondContact O-CB 3.43Å; S379-R383 PolarHBondContact O-N 2.95Å |
| 380 | Q | 94.9 | Very high | 96.8 | Very high | 63 Ų | 63 | 35.4 Ų | 35.4 | 29% | 0.294 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -68.5 | -42.8 | 178 | -169.6 | 61.4 | 21 | 0 | 0 | 112.5 | W335 R378 V382 R383 E384 | W335-Q380 HydrophobicContact CZ3-CB 4.23Å; W335-Q380 HydrophobicContact CZ3-CG 4.21Å; R378-Q380 PolarHBondContact O-N 3.37Å; Q380-V382 VanDerWaalsContact C-N 3.34Å; Q380-V382 PolarHBondContact O-N 3.42Å; Q380-R383 PolarHBondContact O-N 3.47Å; Q380-E384 PolarHBondContact NE2-OE1 3.16Å; Q380-E384 WeakPolarHBondContact O-CG 3.34Å; Q380-E384 PolarHBondContact O-N 3.06Å |
| 381 | V | 96.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.7 | -42.2 | 177.2 | -179 | 0 | 0 | 0 | 0 | 110.4 | W335 L342 D376 R378 E384 A385 | W335-V381 HydrophobicContact CB-CG2 3.95Å; L342-V381 HydrophobicContact CD1-CG1 4.45Å; D376-V381 HydrophobicContact CB-CB 3.76Å; D376-V381 HydrophobicContact CB-CG1 3.73Å; R378-V381 HydrophobicContact CB-CG2 4.14Å; R378-V381 PolarHBondContact O-N 3.07Å; R378-V381 VanDerWaalsContact O-N 3.16Å; V381-E384 PolarHBondContact O-N 3.36Å; V381-A385 WeakPolarHBondContact O-CB 3.42Å; V381-A385 PolarHBondContact O-N 3.44Å |
| 382 | V | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.6 | -42.4 | 174.2 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | D376 R378 Q380 A385 C386 L414 M422 | D376-V382 HydrophobicContact CB-CG2 3.99Å; D376-V382 VanDerWaalsContact O-CG2 3.27Å; D376-V382 WeakPolarHBondContact O-CG2 3.42Å; R378-V382 PolarHBondContact O-N 3.46Å; Q380-V382 VanDerWaalsContact C-N 3.34Å; Q380-V382 PolarHBondContact O-N 3.42Å; V382-A385 PolarHBondContact O-N 3.2Å; V382-C386 WeakPolarHBondContact O-CB 3.34Å; V382-C386 PolarHBondContact O-N 3.2Å; V382-C386 PolarHBondContact O-SG 2.77Å; V382-L414 HydrophobicContact CG1-CD1 3.59Å; V382-L414 HydrophobicContact CG1-CD2 3.82Å; V382-L414 HydrophobicContact CG1-CG 4.37Å; V382-M422 HydrophobicContact CB-CE 4.42Å; V382-M422 HydrophobicContact CB-CG 4.22Å; V382-M422 HydrophobicContact CG1-CB 4.32Å; V382-M422 HydrophobicContact CG1-CG 4.07Å; V382-M422 HydrophobicContact CG2-CE 3.89Å; V382-M422 HydrophobicContact CG2-SD 4.46Å |
| 383 | R | 96.3 | Very high | 96.8 | Very high | 64 Ų | 64 | 30.1 Ų | 30.1 | 24% | 0.242 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.5 | -51 | 176.4 | -178.8 | 178.4 | -177.7 | -168.8 | 1.6 | 111 | S379 Q380 A385 C386 I387 I421 | S379-R383 VanDerWaalsContact O-CB 3.28Å; S379-R383 WeakPolarHBondContact O-CB 3.43Å; S379-R383 PolarHBondContact O-N 2.95Å; Q380-R383 PolarHBondContact O-N 3.47Å; R383-A385 VanDerWaalsContact C-N 3.31Å; R383-A385 PolarHBondContact O-N 3.39Å; R383-C386 PolarHBondContact O-N 3.08Å; R383-I387 HydrophobicContact CG-CD1 3.72Å; R383-I387 HydrophobicContact CG-CG1 4.41Å; R383-I387 VanDerWaalsContact O-CG1 3.24Å; R383-I387 WeakPolarHBondContact O-CG1 3.49Å; R383-I387 PolarHBondContact O-N 3.35Å; R383-I421 HydrophobicContact CB-CG2 4.38Å |
| 384 | E | 97.3 | Very high | 96.8 | Very high | 9 Ų | 9 | 31.9 Ų | 31.9 | 4% | 0.042 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.7 | -37.7 | 178.2 | -67 | -66.6 | 172.8 | 0 | 0 | 112.3 | C339 L342 K343 R346 Q380 V381 T388 | C339-E384 HydrophobicContact CB-CG 4.03Å; L342-E384 HydrophobicContact CB-CB 4.09Å; L342-E384 HydrophobicContact CD1-CB 3.92Å; K343-E384 WeakPolarHBondContact CE-OE1 3.45Å; K343-E384 IonicContact NZ-OE1 3.32Å; R346-E384 IonicContact CZ-OE2 3.57Å; R346-E384 VanDerWaalsContact CZ-OE2 3.25Å; R346-E384 IonicContact NH1-OE2 2.84Å; R346-E384 PolarHBondContact NH1-OE2 2.86Å; R346-E384 IonicContact NH2-OE2 2.71Å; R346-E384 PolarHBondContact NH2-OE2 3.39Å; Q380-E384 PolarHBondContact NE2-OE1 3.16Å; Q380-E384 WeakPolarHBondContact O-CG 3.34Å; Q380-E384 PolarHBondContact O-N 3.06Å; V381-E384 PolarHBondContact O-N 3.36Å; E384-T388 VanDerWaalsContact O-CB 3.28Å; E384-T388 WeakPolarHBondContact O-CB 3.29Å; E384-T388 PolarHBondContact O-N 3.04Å; E384-T388 PolarHBondContact O-OG1 3.15Å |
| 385 | A | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.4 | -45.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | L342 A374 V381 V382 R383 T388 V389 | L342-A385 HydrophobicContact CD1-CB 4.16Å; A374-A385 HydrophobicContact CB-CB 4.26Å; V381-A385 WeakPolarHBondContact O-CB 3.42Å; V381-A385 PolarHBondContact O-N 3.44Å; V382-A385 PolarHBondContact O-N 3.2Å; R383-A385 VanDerWaalsContact C-N 3.31Å; R383-A385 PolarHBondContact O-N 3.39Å; A385-T388 PolarHBondContact O-N 2.93Å; A385-V389 WeakPolarHBondContact O-CB 3.22Å; A385-V389 VanDerWaalsContact O-CG2 3.28Å; A385-V389 WeakPolarHBondContact O-CG2 3.46Å; A385-V389 PolarHBondContact O-N 3.36Å |
| 386 | C | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.1 | -46.2 | 176 | -72.9 | 0 | 0 | 0 | 0 | 112.5 | F299 V382 R383 T388 A390 A429 | F299-C386 HydrophobicContact CE2-CB 4.19Å; F299-C386 HydrophobicContact CZ-CB 4.12Å; V382-C386 WeakPolarHBondContact O-CB 3.34Å; V382-C386 PolarHBondContact O-N 3.2Å; V382-C386 PolarHBondContact O-SG 2.77Å; R383-C386 PolarHBondContact O-N 3.08Å; C386-T388 VanDerWaalsContact C-N 3.35Å; C386-T388 PolarHBondContact O-N 3.38Å; C386-A390 VanDerWaalsContact O-CB 3.27Å; C386-A390 WeakPolarHBondContact O-CB 3.21Å; C386-A390 PolarHBondContact O-N 3.48Å; C386-A429 HydrophobicContact CB-CB 4.02Å |
| 387 | I | 98 | Very high | 96.7 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.6 | -45.3 | 176.9 | -64.9 | 164.5 | 0 | 0 | 0 | 110.1 | F299 A302 F303 R383 A390 H391 | F299-I387 HydrophobicContact CD2-CD1 4.37Å; F299-I387 HydrophobicContact CD2-CG1 3.55Å; F299-I387 HydrophobicContact CE2-CB 4.33Å; F299-I387 HydrophobicContact CE2-CD1 4.49Å; F299-I387 HydrophobicContact CE2-CG1 3.38Å; F299-I387 HydrophobicContact CG-CG1 4.33Å; F299-I387 HydrophobicContact CZ-CG1 4.03Å; A302-I387 HydrophobicContact CB-CD1 3.87Å; A302-I387 HydrophobicContact CB-CG1 4.47Å; A302-I387 HydrophobicContact CB-CG2 3.9Å; F303-I387 HydrophobicContact CD1-CG2 3.73Å; F303-I387 HydrophobicContact CE1-CG2 4.11Å; R383-I387 HydrophobicContact CG-CD1 3.72Å; R383-I387 HydrophobicContact CG-CG1 4.41Å; R383-I387 VanDerWaalsContact O-CG1 3.24Å; R383-I387 WeakPolarHBondContact O-CG1 3.49Å; R383-I387 PolarHBondContact O-N 3.35Å; I387-A390 PolarHBondContact O-N 2.94Å; I387-H391 WeakPolarHBondContact O-CB 3.34Å; I387-H391 PolarHBondContact O-N 2.88Å |
| 388 | T | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.2 | -43.1 | -178.1 | -54.5 | 0 | 0 | 0 | 0 | 112.3 | L342 I345 R346 F370 E384 A385 C386 H391 L392 | L342-T388 PolarHBondContact O-OG1 2.85Å; I345-T388 HydrophobicContact CB-CG2 3.78Å; I345-T388 HydrophobicContact CD1-CG2 4.08Å; I345-T388 HydrophobicContact CG2-CG2 3.72Å; R346-T388 HydrophobicContact CG-CG2 4.01Å; R346-T388 PolarHBondContact NH1-OG1 3.38Å; F370-T388 HydrophobicContact CE1-CG2 4.05Å; E384-T388 VanDerWaalsContact O-CB 3.28Å; E384-T388 WeakPolarHBondContact O-CB 3.29Å; E384-T388 PolarHBondContact O-N 3.04Å; E384-T388 PolarHBondContact O-OG1 3.15Å; A385-T388 PolarHBondContact O-N 2.93Å; C386-T388 VanDerWaalsContact C-N 3.35Å; C386-T388 PolarHBondContact O-N 3.38Å; T388-H391 PolarHBondContact O-N 3.17Å; T388-L392 HydrophobicContact CG2-CD1 4.35Å; T388-L392 WeakPolarHBondContact O-CB 3.5Å; T388-L392 WeakPolarHBondContact O-CG 3.49Å; T388-L392 PolarHBondContact O-N 3.38Å |
| 389 | V | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.4 | -37.9 | 175.8 | 166.9 | 0 | 0 | 0 | 0 | 111.8 | F370 A385 S393 F400 I407 I433 | F370-V389 HydrophobicContact CB-CG2 4.3Å; F370-V389 HydrophobicContact CD1-CG2 4.02Å; F370-V389 HydrophobicContact CG-CG2 4.14Å; A385-V389 WeakPolarHBondContact O-CB 3.22Å; A385-V389 VanDerWaalsContact O-CG2 3.28Å; A385-V389 WeakPolarHBondContact O-CG2 3.46Å; A385-V389 PolarHBondContact O-N 3.36Å; V389-S393 PolarHBondContact O-N 3Å; V389-S393 VanDerWaalsContact O-N 3.12Å; V389-F400 HydrophobicContact CG1-CE1 4.1Å; V389-F400 HydrophobicContact CG1-CZ 4.17Å; V389-I407 HydrophobicContact CG1-CB 4.43Å; V389-I407 HydrophobicContact CG1-CG1 4.13Å; V389-I407 HydrophobicContact CG1-CG2 3.57Å; V389-I407 HydrophobicContact CG2-CG1 4.18Å; V389-I433 HydrophobicContact CG1-CD1 3.92Å |
| 390 | A | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.4 | -42.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F299 F303 C386 I387 S393 S394 A429 I432 | F299-A390 HydrophobicContact CE1-CB 3.64Å; F299-A390 HydrophobicContact CZ-CB 4.11Å; F303-A390 HydrophobicContact CE1-CB 3.81Å; F303-A390 HydrophobicContact CZ-CB 3.63Å; C386-A390 VanDerWaalsContact O-CB 3.27Å; C386-A390 WeakPolarHBondContact O-CB 3.21Å; C386-A390 PolarHBondContact O-N 3.48Å; I387-A390 PolarHBondContact O-N 2.94Å; A390-S393 WeakPolarHBondContact O-CB 3.46Å; A390-S393 PolarHBondContact O-N 3.32Å; A390-S394 PolarHBondContact O-N 2.94Å; A390-A429 HydrophobicContact CB-CB 4.48Å; A390-I432 HydrophobicContact CB-CB 4.16Å; A390-I432 HydrophobicContact CB-CD1 4.35Å; A390-I432 HydrophobicContact CB-CG2 4.05Å; A390-I432 WeakPolarHBondContact O-CG2 3.44Å |
| 391 | H | 98.1 | Very high | 96.9 | Very high | 13 Ų | 13 | 23.9 Ų | 23.9 | 6% | 0.06 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65 | -41.5 | 176.3 | -170.4 | 31.8 | 0 | 0 | 0 | 112.1 | F303 I387 T388 S393 S394 V395 | F303-H391 HydrophobicContact CB-CB 4.1Å; F303-H391 HydrophobicContact CD1-CB 3.81Å; F303-H391 HydrophobicContact CD2-CB 3.91Å; F303-H391 AromaticContact CD2-CG 3.89Å; F303-H391 AromaticContact CD2-ND1 3.45Å; F303-H391 WeakPolarHBondContact CD2-ND1 3.33Å; F303-H391 HydrophobicContact CE1-CB 4.17Å; F303-H391 HydrophobicContact CE2-CB 4.25Å; F303-H391 HydrophobicContact CG-CB 3.66Å; F303-H391 AromaticContact CG-CG 3.73Å; F303-H391 AromaticContact CG-ND1 3.7Å; F303-H391 HydrophobicContact CZ-CB 4.37Å; I387-H391 WeakPolarHBondContact O-CB 3.34Å; I387-H391 PolarHBondContact O-N 2.88Å; T388-H391 PolarHBondContact O-N 3.17Å; H391-S393 VanDerWaalsContact C-N 3.32Å; H391-S393 PolarHBondContact O-N 2.76Å; H391-S394 WeakPolarHBondContact CA-OG 3.32Å; H391-S394 PolarHBondContact ND1-OG 3.39Å; H391-S394 VanDerWaalsContact ND1-OG 3.15Å; H391-S394 PolarHBondContact O-N 3.43Å; H391-S394 PolarHBondContact O-OG 2.71Å; H391-V395 WeakPolarHBondContact CE1-CG2 3.4Å; H391-V395 WeakPolarHBondContact O-CG2 3.46Å; H391-V395 PolarHBondContact O-N 3.2Å |
| 392 | L | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -54.1 | -46.6 | 171.6 | -79.1 | 162.2 | 0 | 0 | 0 | 111.9 | L349 F359 L363 F370 T388 V395 L396 F400 | L349-L392 HydrophobicContact CD1-CD2 3.8Å; L349-L392 HydrophobicContact CD1-CG 3.96Å; L349-L392 HydrophobicContact CD2-CD2 4.11Å; L349-L392 HydrophobicContact CG-CD2 4.42Å; F359-L392 HydrophobicContact CE1-CD2 4.31Å; F359-L392 HydrophobicContact CZ-CD2 4.03Å; L363-L392 HydrophobicContact CD1-CD1 3.84Å; L363-L392 HydrophobicContact CD1-CD2 3.59Å; L363-L392 HydrophobicContact CD1-CG 4.38Å; L363-L392 HydrophobicContact CD2-CD2 4.09Å; F370-L392 HydrophobicContact CE1-CD1 4.12Å; F370-L392 HydrophobicContact CE2-CD1 3.97Å; F370-L392 HydrophobicContact CZ-CD1 3.52Å; T388-L392 HydrophobicContact CG2-CD1 4.35Å; T388-L392 WeakPolarHBondContact O-CB 3.5Å; T388-L392 WeakPolarHBondContact O-CG 3.49Å; T388-L392 PolarHBondContact O-N 3.38Å; L392-V395 PolarHBondContact O-N 2.89Å; L392-L396 HydrophobicContact CB-CD1 4.46Å; L392-L396 HydrophobicContact CD2-CD1 3.86Å; L392-L396 VanDerWaalsContact O-CB 3.23Å; L392-L396 WeakPolarHBondContact O-CB 3.42Å; L392-L396 WeakPolarHBondContact O-CG 3.47Å; L392-L396 PolarHBondContact O-N 2.93Å; L392-F400 HydrophobicContact CB-CD2 4.17Å; L392-F400 HydrophobicContact CB-CE1 4.42Å; L392-F400 HydrophobicContact CB-CE2 3.87Å; L392-F400 HydrophobicContact CB-CZ 4.01Å; L392-F400 HydrophobicContact CD1-CE2 4.18Å; L392-F400 HydrophobicContact CD1-CZ 4.38Å |
| 393 | S | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.9 | -43.9 | 173.3 | -179.6 | 0 | 0 | 0 | 0 | 112.4 | V389 A390 H391 V395 G397 I432 I433 H436 T437 | V389-S393 PolarHBondContact O-N 3Å; V389-S393 VanDerWaalsContact O-N 3.12Å; A390-S393 WeakPolarHBondContact O-CB 3.46Å; A390-S393 PolarHBondContact O-N 3.32Å; H391-S393 VanDerWaalsContact C-N 3.32Å; H391-S393 PolarHBondContact O-N 2.76Å; S393-V395 VanDerWaalsContact C-N 3.34Å; S393-V395 PolarHBondContact O-N 3.5Å; S393-G397 VanDerWaalsContact O-CA 3.27Å; S393-G397 WeakPolarHBondContact O-CA 3.38Å; S393-G397 PolarHBondContact O-N 3.47Å; S393-I432 PolarHBondContact OG-O 2.88Å; S393-I433 WeakPolarHBondContact OG-CA 3.45Å; S393-H436 WeakPolarHBondContact O-CB 3.33Å; S393-T437 PolarHBondContact OG-OG1 3.16Å |
| 394 | S | 96.8 | Very high | 96.8 | Very high | 37 Ų | 37 | 25.2 Ų | 25.2 | 26% | 0.259 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -64.7 | -32.5 | -178.7 | 71.9 | 0 | 0 | 0 | 0 | 114.2 | A390 H391 | A390-S394 PolarHBondContact O-N 2.94Å; H391-S394 WeakPolarHBondContact CA-OG 3.32Å; H391-S394 PolarHBondContact ND1-OG 3.39Å; H391-S394 VanDerWaalsContact ND1-OG 3.15Å; H391-S394 PolarHBondContact O-N 3.43Å; H391-S394 PolarHBondContact O-OG 2.71Å |
| 395 | V | 96.6 | Very high | 96.7 | Very high | 65 Ų | 65 | 27.9 Ų | 27.9 | 39% | 0.394 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -88.7 | -38.5 | -178.2 | 175 | 0 | 0 | 0 | 0 | 112.2 | L349 A354 H391 L392 S393 | L349-V395 HydrophobicContact CD2-CB 4.5Å; L349-V395 HydrophobicContact CD2-CG1 4.22Å; A354-V395 HydrophobicContact CB-CG1 3.96Å; H391-V395 WeakPolarHBondContact CE1-CG2 3.4Å; H391-V395 WeakPolarHBondContact O-CG2 3.46Å; H391-V395 PolarHBondContact O-N 3.2Å; L392-V395 PolarHBondContact O-N 2.89Å; S393-V395 VanDerWaalsContact C-N 3.34Å; S393-V395 PolarHBondContact O-N 3.5Å |
| 396 | L | 96.1 | Very high | 96.6 | Very high | 11 Ų | 11 | 28.8 Ų | 28.8 | 6% | 0.058 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -95.3 | -21.9 | -173.3 | -54.9 | 175.4 | 0 | 0 | 0 | 112.9 | A354 F359 Y360 L363 L392 N398 K399 F400 | A354-L396 HydrophobicContact CB-CD2 3.63Å; F359-L396 HydrophobicContact CE1-CD1 4.19Å; F359-L396 HydrophobicContact CE1-CD2 4.14Å; Y360-L396 HydrophobicContact CE1-CD2 3.84Å; L363-L396 HydrophobicContact CD2-CD1 3.52Å; L392-L396 HydrophobicContact CB-CD1 4.46Å; L392-L396 HydrophobicContact CD2-CD1 3.86Å; L392-L396 VanDerWaalsContact O-CB 3.23Å; L392-L396 WeakPolarHBondContact O-CB 3.42Å; L392-L396 WeakPolarHBondContact O-CG 3.47Å; L392-L396 PolarHBondContact O-N 2.93Å; L396-N398 PolarHBondContact O-N 2.77Å; L396-K399 HydrophobicContact CB-CB 4.3Å; L396-K399 VanDerWaalsContact O-CB 3.32Å; L396-K399 WeakPolarHBondContact O-CB 3.31Å; L396-K399 PolarHBondContact O-N 3.13Å; L396-F400 HydrophobicContact CB-CB 4.05Å; L396-F400 HydrophobicContact CD1-CB 4.34Å; L396-F400 HydrophobicContact CD1-CD2 4.03Å |
| 397 | G | 95.3 | Very high | 96.6 | Very high | 15 Ų | 15 | 29 Ų | 29 | 16% | 0.155 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | 49.2 | -128.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S393 K399 F400 H436 T437 | S393-G397 VanDerWaalsContact O-CA 3.27Å; S393-G397 WeakPolarHBondContact O-CA 3.38Å; S393-G397 PolarHBondContact O-N 3.47Å; G397-K399 PolarHBondContact O-N 3.39Å; G397-F400 WeakPolarHBondContact O-CB 3.21Å; G397-F400 PolarHBondContact O-N 2.99Å; G397-H436 CarbonylContact C-O 3.58Å; G397-H436 WeakPolarHBondContact CA-O 3.47Å; G397-T437 PolarHBondContact O-OG1 3.26Å; G397-T437 VanDerWaalsContact O-OG1 3.13Å |
| 398 | N | 94.9 | Very high | 96.5 | Very high | 95 Ų | 95 | 29 Ų | 29 | 51% | 0.508 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -59.4 | -13 | 178 | -66.7 | -8.2 | 0 | 0 | 0 | 115 | L396 F400 H438 | L396-N398 PolarHBondContact O-N 2.77Å; N398-F400 VanDerWaalsContact C-N 3.25Å; N398-F400 PolarHBondContact O-N 3.48Å; N398-H438 PolarHBondContact OD1-N 3.01Å |
| 399 | K | 94.4 | Very high | 96.4 | Very high | 140 Ų | 140 | 31.7 Ų | 31.7 | 61% | 0.609 | 17% | 0.173 | S | C | * | . | G | 310 helix | trans | -76.9 | -8.4 | 170.9 | -57.6 | -177.8 | 179.2 | -178.9 | 0 | 113.4 | Y360 L396 G397 D401 | Y360-K399 HydrophobicContact CE1-CB 3.79Å; Y360-K399 HydrophobicContact CE1-CD 3.83Å; Y360-K399 HydrophobicContact CE1-CG 4.48Å; Y360-K399 WeakPolarHBondContact OH-CD 3.26Å; Y360-K399 PolarHBondContact OH-NZ 3.38Å; L396-K399 HydrophobicContact CB-CB 4.3Å; L396-K399 VanDerWaalsContact O-CB 3.32Å; L396-K399 WeakPolarHBondContact O-CB 3.31Å; L396-K399 PolarHBondContact O-N 3.13Å; G397-K399 PolarHBondContact O-N 3.39Å; K399-D401 VanDerWaalsContact C-N 3.3Å |
| 400 | F | 96.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 1% | 0.013 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -90.5 | 17.6 | 173.9 | -166.9 | -124.7 | 0 | 0 | 0 | 113 | L363 V389 L392 L396 G397 N398 H402 G403 A404 | L363-F400 HydrophobicContact CD2-CD2 3.97Å; L363-F400 HydrophobicContact CD2-CE2 4.14Å; V389-F400 HydrophobicContact CG1-CE1 4.1Å; V389-F400 HydrophobicContact CG1-CZ 4.17Å; L392-F400 HydrophobicContact CB-CD2 4.17Å; L392-F400 HydrophobicContact CB-CE1 4.42Å; L392-F400 HydrophobicContact CB-CE2 3.87Å; L392-F400 HydrophobicContact CB-CZ 4.01Å; L392-F400 HydrophobicContact CD1-CE2 4.18Å; L392-F400 HydrophobicContact CD1-CZ 4.38Å; L396-F400 HydrophobicContact CB-CB 4.05Å; L396-F400 HydrophobicContact CD1-CB 4.34Å; L396-F400 HydrophobicContact CD1-CD2 4.03Å; G397-F400 WeakPolarHBondContact O-CB 3.21Å; G397-F400 PolarHBondContact O-N 2.99Å; N398-F400 VanDerWaalsContact C-N 3.25Å; N398-F400 PolarHBondContact O-N 3.48Å; F400-H402 PolarHBondContact O-N 3.29Å; F400-G403 PolarHBondContact O-N 3.22Å; F400-G403 VanDerWaalsContact O-N 3.13Å; F400-A404 HydrophobicContact CD1-CB 3.99Å; F400-A404 HydrophobicContact CE1-CB 4.3Å; F400-A404 WeakPolarHBondContact O-CB 3.23Å; F400-A404 PolarHBondContact O-N 3.07Å |
| 401 | D | 94.8 | Very high | 96.4 | Very high | 47 Ų | 47 | 32.2 Ų | 32.2 | 25% | 0.251 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -55.3 | -46.2 | -170.6 | 82.8 | -47.1 | 0 | 0 | 0 | 114 | K399 E405 V439 R441 | K399-D401 VanDerWaalsContact C-N 3.3Å; D401-E405 WeakPolarHBondContact O-CB 3.1Å; D401-E405 PolarHBondContact O-N 2.84Å; D401-E405 VanDerWaalsContact O-N 3.09Å; D401-V439 HydrophobicContact CB-CB 4.4Å; D401-V439 HydrophobicContact CB-CG1 4.02Å; D401-V439 HydrophobicContact CB-CG2 3.53Å; D401-R441 IonicContact OD2-CZ 2.71Å; D401-R441 VanDerWaalsContact OD2-CZ 3.24Å; D401-R441 IonicContact OD2-NH1 3.49Å; D401-R441 PolarHBondContact OD2-NH1 2.72Å; D401-R441 IonicContact OD2-NH2 3.55Å; D401-R441 PolarHBondContact OD2-NH2 3.43Å |
| 402 | H | 94.8 | Very high | 96.3 | Very high | 85 Ų | 85 | 31.8 Ų | 31.8 | 39% | 0.394 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -66 | -44.5 | 178 | -167.8 | 68.3 | 0 | 0 | 0 | 111.9 | D367 F400 E405 A406 | D367-H402 IonicContact OD2-CD2 2.74Å; D367-H402 PolarHBondContact OD2-CD2 2.89Å; D367-H402 VanDerWaalsContact OD2-CD2 3.3Å; D367-H402 IonicContact OD2-NE2 3.23Å; F400-H402 PolarHBondContact O-N 3.29Å; H402-E405 PolarHBondContact O-N 2.92Å; H402-A406 WeakPolarHBondContact O-CB 3.32Å; H402-A406 PolarHBondContact O-N 3.05Å |
| 403 | G | 95.4 | Very high | 96.2 | Very high | 7 Ų | 7 | 37 Ų | 37 | 7% | 0.072 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.1 | -42.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F400 A406 I407 | F400-G403 PolarHBondContact O-N 3.22Å; F400-G403 VanDerWaalsContact O-N 3.13Å; G403-A406 WeakPolarHBondContact O-CB 3.22Å; G403-A406 PolarHBondContact O-N 2.97Å; G403-I407 VanDerWaalsContact O-CB 3.32Å; G403-I407 WeakPolarHBondContact O-CB 3.34Å; G403-I407 WeakPolarHBondContact O-CG2 3.26Å; G403-I407 PolarHBondContact O-N 3.38Å |
| 404 | A | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.1 | -51 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | F400 A406 I407 V408 I433 T437 L442 | F400-A404 HydrophobicContact CD1-CB 3.99Å; F400-A404 HydrophobicContact CE1-CB 4.3Å; F400-A404 WeakPolarHBondContact O-CB 3.23Å; F400-A404 PolarHBondContact O-N 3.07Å; A404-A406 VanDerWaalsContact C-N 3.27Å; A404-A406 PolarHBondContact O-N 2.72Å; A404-I407 PolarHBondContact O-N 2.89Å; A404-V408 WeakPolarHBondContact O-CB 3.48Å; A404-V408 VanDerWaalsContact O-CG2 3.23Å; A404-V408 WeakPolarHBondContact O-CG2 3.03Å; A404-V408 PolarHBondContact O-N 3.1Å; A404-I433 HydrophobicContact CB-CG2 3.71Å; A404-T437 HydrophobicContact CB-CG2 3.74Å; A404-L442 HydrophobicContact CB-CD1 4.23Å; A404-L442 HydrophobicContact CB-CD2 4.17Å |
| 405 | E | 95.7 | Very high | 96 | Very high | 65 Ų | 65 | 36.4 Ų | 36.4 | 30% | 0.304 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.1 | -38 | 176.2 | 179 | 175 | -135.6 | 0 | 0 | 112 | D401 H402 P409 R441 L442 | D401-E405 WeakPolarHBondContact O-CB 3.1Å; D401-E405 PolarHBondContact O-N 2.84Å; D401-E405 VanDerWaalsContact O-N 3.09Å; H402-E405 PolarHBondContact O-N 2.92Å; E405-P409 VanDerWaalsContact O-CD 3.22Å; E405-P409 WeakPolarHBondContact O-CD 3.42Å; E405-R441 WeakPolarHBondContact OE1-CB 3.24Å; E405-R441 WeakPolarHBondContact OE1-CD 3.24Å; E405-R441 IonicContact OE1-CZ 3.03Å; E405-R441 IonicContact OE1-NE 2.67Å; E405-R441 PolarHBondContact OE1-NE 3.24Å; E405-R441 IonicContact OE2-CZ 2.67Å; E405-R441 IonicContact OE2-NE 2.87Å; E405-R441 PolarHBondContact OE2-NE 3.4Å; E405-R441 IonicContact OE2-NH2 3.2Å; E405-R441 PolarHBondContact OE2-NH2 3.46Å; E405-L442 HydrophobicContact CB-CD2 4.36Å |
| 406 | A | 95.8 | Very high | 95.8 | Very high | 18 Ų | 18 | 36.3 Ų | 36.3 | 15% | 0.149 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.5 | -35.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | K371 H402 G403 A404 | K371-A406 WeakPolarHBondContact CE-O 2.99Å; H402-A406 WeakPolarHBondContact O-CB 3.32Å; H402-A406 PolarHBondContact O-N 3.05Å; G403-A406 WeakPolarHBondContact O-CB 3.22Å; G403-A406 PolarHBondContact O-N 2.97Å; A404-A406 VanDerWaalsContact C-N 3.27Å; A404-A406 PolarHBondContact O-N 2.72Å |
| 407 | I | 97.7 | Very high | 95.4 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -103.8 | -31.3 | -169 | -158.2 | 63.2 | 0 | 0 | 0 | 114.3 | F370 K371 A374 V389 G403 A404 P409 V410 L411 I433 | F370-I407 HydrophobicContact CB-CD1 4.02Å; K371-I407 HydrophobicContact CG-CD1 3.95Å; A374-I407 HydrophobicContact CB-CD1 4.26Å; V389-I407 HydrophobicContact CG1-CB 4.43Å; V389-I407 HydrophobicContact CG1-CG1 4.13Å; V389-I407 HydrophobicContact CG1-CG2 3.57Å; V389-I407 HydrophobicContact CG2-CG1 4.18Å; G403-I407 VanDerWaalsContact O-CB 3.32Å; G403-I407 WeakPolarHBondContact O-CB 3.34Å; G403-I407 WeakPolarHBondContact O-CG2 3.26Å; G403-I407 PolarHBondContact O-N 3.38Å; A404-I407 PolarHBondContact O-N 2.89Å; I407-P409 VanDerWaalsContact C-CD 3.48Å; I407-P409 VanDerWaalsContact C-N 3.34Å; I407-V410 HydrophobicContact CD1-CB 4.31Å; I407-V410 WeakPolarHBondContact O-CA 3.43Å; I407-V410 WeakPolarHBondContact O-CB 3.41Å; I407-V410 PolarHBondContact O-N 2.88Å; I407-L411 HydrophobicContact CG1-CD1 4.48Å; I407-L411 HydrophobicContact CG1-CG 4.29Å; I407-L411 HydrophobicContact CG2-CD1 4.2Å; I407-L411 PolarHBondContact O-N 3.38Å; I407-I433 HydrophobicContact CG2-CD1 4Å |
| 408 | V | 97.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -53.3 | -42.5 | 179.9 | 163.8 | 0 | 0 | 0 | 0 | 112.9 | A404 V410 L411 F412 I433 L442 L445 | A404-V408 WeakPolarHBondContact O-CB 3.48Å; A404-V408 VanDerWaalsContact O-CG2 3.23Å; A404-V408 WeakPolarHBondContact O-CG2 3.03Å; A404-V408 PolarHBondContact O-N 3.1Å; V408-V410 PolarHBondContact O-N 2.72Å; V408-L411 PolarHBondContact O-N 2.85Å; V408-F412 HydrophobicContact CG1-CD2 3.71Å; V408-F412 HydrophobicContact CG1-CE2 3.58Å; V408-F412 WeakPolarHBondContact O-CD2 3.49Å; V408-F412 PolarHBondContact O-N 3.15Å; V408-I433 HydrophobicContact CG2-CB 4.49Å; V408-I433 HydrophobicContact CG2-CD1 3.81Å; V408-I433 HydrophobicContact CG2-CG2 3.87Å; V408-L442 HydrophobicContact CG2-CD2 4.31Å; V408-L445 HydrophobicContact CG1-CB 4.37Å; V408-L445 HydrophobicContact CG1-CD1 4.45Å |
| 409 | P | 96.2 | Very high | 94.1 | Very high | 57 Ų | 57 | 40.7 Ų | 40.7 | 37% | 0.37 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.1 | -24.9 | 174.8 | -24.4 | 35.8 | 0 | 0 | 0 | 114.2 | E405 I407 N413 L445 | E405-P409 VanDerWaalsContact O-CD 3.22Å; E405-P409 WeakPolarHBondContact O-CD 3.42Å; I407-P409 VanDerWaalsContact C-CD 3.48Å; I407-P409 VanDerWaalsContact C-N 3.34Å; P409-N413 PolarHBondContact O-ND2 3.45Å; P409-L445 HydrophobicContact CG-CD1 3.97Å; P409-L445 HydrophobicContact CG-CD2 4.21Å |
| 410 | V | 97.4 | Very high | 93.9 | Very high | 11 Ų | 11 | 37 Ų | 37 | 7% | 0.067 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -77.8 | -47.9 | 173.8 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | K371 A374 K375 I407 V408 F412 N413 | K371-V410 HydrophobicContact CB-CG2 4.47Å; K371-V410 HydrophobicContact CG-CG2 4.1Å; A374-V410 HydrophobicContact CB-CG1 3.96Å; K375-V410 HydrophobicContact CD-CG1 4.27Å; K375-V410 HydrophobicContact CG-CG1 3.64Å; I407-V410 HydrophobicContact CD1-CB 4.31Å; I407-V410 WeakPolarHBondContact O-CA 3.43Å; I407-V410 WeakPolarHBondContact O-CB 3.41Å; I407-V410 PolarHBondContact O-N 2.88Å; V408-V410 PolarHBondContact O-N 2.72Å; V410-F412 PolarHBondContact O-N 2.81Å; V410-N413 WeakPolarHBondContact O-CB 3.35Å; V410-N413 PolarHBondContact O-N 3.06Å; V410-N413 PolarHBondContact O-ND2 2.91Å |
| 411 | L | 97.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.4 | -34.4 | 179.5 | -60.9 | 173.6 | 0 | 0 | 0 | 112.5 | I407 V408 N413 L414 A429 I430 I433 | I407-L411 HydrophobicContact CG1-CD1 4.48Å; I407-L411 HydrophobicContact CG1-CG 4.29Å; I407-L411 HydrophobicContact CG2-CD1 4.2Å; I407-L411 PolarHBondContact O-N 3.38Å; V408-L411 PolarHBondContact O-N 2.85Å; L411-N413 PolarHBondContact O-N 2.99Å; L411-L414 HydrophobicContact CD2-CD1 4.05Å; L411-L414 WeakPolarHBondContact O-CB 3.08Å; L411-L414 PolarHBondContact O-N 3.28Å; L411-A429 HydrophobicContact CD1-CB 3.77Å; L411-A429 HydrophobicContact CD2-CB 4.13Å; L411-I430 HydrophobicContact CB-CD1 3.73Å; L411-I430 HydrophobicContact CB-CG1 3.61Å; L411-I430 HydrophobicContact CD1-CG1 3.93Å; L411-I430 HydrophobicContact CG-CG1 4.43Å; L411-I433 HydrophobicContact CD1-CD1 3.58Å |
| 412 | F | 96.3 | Very high | 93.4 | Very high | 5 Ų | 5 | 37.8 Ų | 37.8 | 2% | 0.022 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -28.4 | 174 | -93.7 | -67.5 | 0 | 0 | 0 | 113.7 | V408 V410 L414 I415 P416 I430 I446 N449 V457 C461 F464 | V408-F412 HydrophobicContact CG1-CD2 3.71Å; V408-F412 HydrophobicContact CG1-CE2 3.58Å; V408-F412 WeakPolarHBondContact O-CD2 3.49Å; V408-F412 PolarHBondContact O-N 3.15Å; V410-F412 PolarHBondContact O-N 2.81Å; F412-L414 VanDerWaalsContact C-N 3.28Å; F412-L414 PolarHBondContact O-N 3.13Å; F412-I415 HydrophobicContact CD1-CD1 3.59Å; F412-I415 HydrophobicContact CE1-CD1 3.92Å; F412-I415 HydrophobicContact CG-CD1 4.49Å; F412-P416 WeakPolarHBondContact O-CD 3.32Å; F412-I430 HydrophobicContact CD1-CD1 4.3Å; F412-I430 HydrophobicContact CD2-CD1 4.21Å; F412-I430 HydrophobicContact CE1-CD1 4.41Å; F412-I430 HydrophobicContact CE2-CD1 4.35Å; F412-I430 HydrophobicContact CG-CD1 4.18Å; F412-I430 HydrophobicContact CZ-CD1 4.44Å; F412-I446 HydrophobicContact CE2-CG1 4.18Å; F412-I446 HydrophobicContact CZ-CB 4.35Å; F412-I446 HydrophobicContact CZ-CG1 4.09Å; F412-I446 HydrophobicContact CZ-CG2 4.38Å; F412-N449 HydrophobicContact CD1-CB 4.19Å; F412-N449 HydrophobicContact CE1-CB 4.09Å; F412-N449 HydrophobicContact CZ-CB 4.49Å; F412-V457 HydrophobicContact CD1-CG1 4.31Å; F412-C461 VanDerWaalsContact CE1-SG 3.53Å; F412-F464 AromaticContact CE1-CD2 3.89Å; F412-F464 HydrophobicContact CE1-CD2 3.89Å; F412-F464 AromaticContact CE1-CE2 3.82Å; F412-F464 HydrophobicContact CE1-CE2 3.82Å; F412-F464 AromaticContact CZ-CD2 3.82Å; F412-F464 HydrophobicContact CZ-CD2 3.82Å; F412-F464 HydrophobicContact CZ-CE2 4.06Å |
| 413 | N | 95.6 | Very high | 93.3 | Very high | 110 Ų | 110 | 34.5 Ų | 34.5 | 59% | 0.588 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | -10.6 | 176.4 | -55.8 | -70.5 | 0 | 0 | 0 | 113.4 | P409 V410 L411 P416 | P409-N413 PolarHBondContact O-ND2 3.45Å; V410-N413 WeakPolarHBondContact O-CB 3.35Å; V410-N413 PolarHBondContact O-N 3.06Å; V410-N413 PolarHBondContact O-ND2 2.91Å; L411-N413 PolarHBondContact O-N 2.99Å; N413-P416 WeakPolarHBondContact O-CD 3.41Å |
| 414 | L | 95.8 | Very high | 93.2 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 6% | 0.058 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -30.6 | 173.5 | -59.1 | 178.5 | 0 | 0 | 0 | 112 | V382 L411 F412 N417 A423 | V382-L414 HydrophobicContact CG1-CD1 3.59Å; V382-L414 HydrophobicContact CG1-CD2 3.82Å; V382-L414 HydrophobicContact CG1-CG 4.37Å; L411-L414 HydrophobicContact CD2-CD1 4.05Å; L411-L414 WeakPolarHBondContact O-CB 3.08Å; L411-L414 PolarHBondContact O-N 3.28Å; F412-L414 VanDerWaalsContact C-N 3.28Å; F412-L414 PolarHBondContact O-N 3.13Å; L414-N417 WeakPolarHBondContact O-CB 3.18Å; L414-N417 PolarHBondContact O-N 3.01Å; L414-A423 WeakPolarHBondContact O-CA 3.33Å; L414-A423 WeakPolarHBondContact O-CB 3.28Å |
| 415 | I | 95.1 | Very high | 93.2 | Very high | 12 Ų | 12 | 34.8 Ų | 34.8 | 6% | 0.062 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -42.2 | -179 | -51.2 | -177.5 | 0 | 0 | 0 | 114.1 | F412 N417 V427 I430 V457 R460 F464 | F412-I415 HydrophobicContact CD1-CD1 3.59Å; F412-I415 HydrophobicContact CE1-CD1 3.92Å; F412-I415 HydrophobicContact CG-CD1 4.49Å; I415-N417 VanDerWaalsContact C-N 3.26Å; I415-N417 PolarHBondContact O-N 3.13Å; I415-V427 HydrophobicContact CD1-CG2 4.3Å; I415-V427 HydrophobicContact CG1-CG2 3.99Å; I415-V427 HydrophobicContact CG2-CG2 4.32Å; I415-I430 HydrophobicContact CD1-CD1 3.97Å; I415-V457 HydrophobicContact CB-CG2 4.16Å; I415-V457 HydrophobicContact CG2-CG2 4.23Å; I415-R460 HydrophobicContact CD1-CB 4.16Å; I415-R460 HydrophobicContact CG2-CB 4.17Å; I415-R460 HydrophobicContact CG2-CG 3.87Å; I415-F464 HydrophobicContact CD1-CE2 3.72Å; I415-F464 HydrophobicContact CD1-CZ 4.19Å |
| 416 | P | 92.3 | Very high | 93.2 | Very high | 64 Ų | 64 | 31.7 Ų | 31.7 | 42% | 0.416 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 5.6 | 176.6 | 34.2 | -38.1 | 0 | 0 | 0 | 114.4 | F412 N413 V457 | F412-P416 WeakPolarHBondContact O-CD 3.32Å; N413-P416 WeakPolarHBondContact O-CD 3.41Å; P416-V457 HydrophobicContact CB-CG2 4.31Å; P416-V457 HydrophobicContact CG-CG2 4.25Å |
| 417 | N | 87.9 | Confident | 93.2 | Very high | 65 Ų | 65 | 31.1 Ų | 31.1 | 35% | 0.348 | 19% | 0.185 | S | C | . | . | trans | -78.3 | 133.5 | -175.9 | -166.2 | -34.9 | 0 | 0 | 0 | 111.7 | L414 I415 A419 M422 | L414-N417 WeakPolarHBondContact O-CB 3.18Å; L414-N417 PolarHBondContact O-N 3.01Å; I415-N417 VanDerWaalsContact C-N 3.26Å; I415-N417 PolarHBondContact O-N 3.13Å; N417-A419 PolarHBondContact O-N 3.25Å; N417-A419 WeakPolarHBondContact OD1-CB 3.23Å; N417-A419 PolarHBondContact OD1-N 2.72Å; N417-M422 PolarHBondContact ND2-SD 3.06Å | ||
| 418 | C | 75.6 | Confident | 93.2 | Very high | 107 Ų | 107 | 31 Ų | 31 | 72% | 0.723 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -65.4 | -24.6 | 177.5 | -57.5 | 0 | 0 | 0 | 0 | 113.4 | K420 | C418-K420 PolarHBondContact O-N 3.32Š|
| 419 | A | 87.5 | Confident | 93.2 | Very high | 41 Ų | 41 | 30.9 Ų | 30.9 | 34% | 0.339 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -72.9 | 95.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110 | N417 I421 M422 A423 | N417-A419 PolarHBondContact O-N 3.25Å; N417-A419 WeakPolarHBondContact OD1-CB 3.23Å; N417-A419 PolarHBondContact OD1-N 2.72Å; A419-I421 VanDerWaalsContact C-N 3.25Å; A419-I421 PolarHBondContact O-N 3.29Å; A419-I421 VanDerWaalsContact O-N 3.08Å; A419-M422 HydrophobicContact CB-CB 4.39Å; A419-M422 HydrophobicContact CB-CG 4.2Å; A419-M422 HydrophobicContact CB-SD 4.19Å; A419-M422 WeakPolarHBondContact O-CB 3.46Å; A419-M422 PolarHBondContact O-N 3Å; A419-A423 PolarHBondContact O-N 3.42Å |
| 420 | K | 88.9 | Confident | 93.3 | Very high | 61 Ų | 61 | 28.2 Ų | 28.2 | 27% | 0.265 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -47.5 | -43.7 | -172.3 | -168.6 | 178 | 179.1 | -167.4 | 0 | 113.8 | S290 G292 C418 M422 A423 T424 | S290-K420 PolarHBondContact O-NZ 3.04Å; S290-K420 PolarHBondContact OG-NZ 3.39Å; G292-K420 WeakPolarHBondContact O-CG 3.36Å; C418-K420 PolarHBondContact O-N 3.32Å; K420-M422 VanDerWaalsContact C-N 3.32Å; K420-M422 PolarHBondContact O-N 3.49Å; K420-A423 PolarHBondContact O-N 3.4Å; K420-A423 VanDerWaalsContact O-N 3.16Å; K420-T424 HydrophobicContact CG-CG2 4.14Å; K420-T424 PolarHBondContact O-N 3.33Å; K420-T424 PolarHBondContact O-OG1 3.02Å |
| 421 | I | 88.7 | Confident | 93.2 | Very high | 56 Ų | 56 | 29.2 Ų | 29.2 | 29% | 0.287 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -56.9 | -41 | 177.4 | -62.8 | 174.3 | 0 | 0 | 0 | 112.4 | G292 V294 R383 A419 T424 S425 | G292-I421 VanDerWaalsContact O-CG1 3.29Å; G292-I421 WeakPolarHBondContact O-CG1 3.36Å; G292-I421 PolarHBondContact O-N 2.86Å; V294-I421 HydrophobicContact CG2-CG2 4.03Å; R383-I421 HydrophobicContact CB-CG2 4.38Å; A419-I421 VanDerWaalsContact C-N 3.25Å; A419-I421 PolarHBondContact O-N 3.29Å; A419-I421 VanDerWaalsContact O-N 3.08Å; I421-T424 PolarHBondContact O-OG1 3.08Å; I421-S425 WeakPolarHBondContact O-CB 3.27Å; I421-S425 PolarHBondContact O-N 3.26Å; I421-S425 VanDerWaalsContact O-N 3.07Å; I421-S425 PolarHBondContact O-OG 3.16Å |
| 422 | M | 92.4 | Very high | 93.2 | Very high | 12 Ų | 12 | 29.4 Ų | 29.4 | 6% | 0.059 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.4 | -45 | 176.9 | -69.4 | -176 | 170.6 | 0 | 0 | 110.8 | D376 L377 V382 N417 A419 K420 S425 G426 | D376-M422 WeakPolarHBondContact O-CE 3.42Å; L377-M422 WeakPolarHBondContact O-CE 3.49Å; V382-M422 HydrophobicContact CB-CE 4.42Å; V382-M422 HydrophobicContact CB-CG 4.22Å; V382-M422 HydrophobicContact CG1-CB 4.32Å; V382-M422 HydrophobicContact CG1-CG 4.07Å; V382-M422 HydrophobicContact CG2-CE 3.89Å; V382-M422 HydrophobicContact CG2-SD 4.46Å; N417-M422 PolarHBondContact ND2-SD 3.06Å; A419-M422 HydrophobicContact CB-CB 4.39Å; A419-M422 HydrophobicContact CB-CG 4.2Å; A419-M422 HydrophobicContact CB-SD 4.19Å; A419-M422 WeakPolarHBondContact O-CB 3.46Å; A419-M422 PolarHBondContact O-N 3Å; K420-M422 VanDerWaalsContact C-N 3.32Å; K420-M422 PolarHBondContact O-N 3.49Å; M422-S425 PolarHBondContact O-N 3.23Å; M422-G426 PolarHBondContact O-N 3.04Å |
| 423 | A | 93.3 | Very high | 93.3 | Very high | 16 Ų | 16 | 29.2 Ų | 29.2 | 13% | 0.132 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.4 | -45.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L414 A419 K420 G426 V427 | L414-A423 WeakPolarHBondContact O-CA 3.33Å; L414-A423 WeakPolarHBondContact O-CB 3.28Å; A419-A423 PolarHBondContact O-N 3.42Å; K420-A423 PolarHBondContact O-N 3.4Å; K420-A423 VanDerWaalsContact O-N 3.16Å; A423-G426 PolarHBondContact O-N 2.76Å; A423-V427 WeakPolarHBondContact O-CG2 3.36Å; A423-V427 PolarHBondContact O-N 2.71Å |
| 424 | T | 93.8 | Very high | 93.4 | Very high | 12 Ų | 12 | 24 Ų | 24 | 7% | 0.074 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.9 | -41.5 | 176.3 | 54.4 | 0 | 0 | 0 | 0 | 111.7 | V294 K420 I421 G426 V427 S428 | V294-T424 WeakPolarHBondContact CG2-OG1 3.38Å; V294-T424 PolarHBondContact N-OG1 3.49Å; K420-T424 HydrophobicContact CG-CG2 4.14Å; K420-T424 PolarHBondContact O-N 3.33Å; K420-T424 PolarHBondContact O-OG1 3.02Å; I421-T424 PolarHBondContact O-OG1 3.08Å; T424-G426 VanDerWaalsContact C-N 3.35Å; T424-G426 PolarHBondContact O-N 3.16Å; T424-V427 PolarHBondContact O-N 3.4Å; T424-S428 PolarHBondContact O-N 3.2Å; T424-S428 PolarHBondContact O-OG 2.9Å |
| 425 | S | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60 | -43.2 | 175.2 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | I421 M422 A429 | I421-S425 WeakPolarHBondContact O-CB 3.27Å; I421-S425 PolarHBondContact O-N 3.26Å; I421-S425 VanDerWaalsContact O-N 3.07Å; I421-S425 PolarHBondContact O-OG 3.16Å; M422-S425 PolarHBondContact O-N 3.23Å; S425-A429 WeakPolarHBondContact O-CB 3.35Å; S425-A429 PolarHBondContact O-N 3.42Å |
| 426 | G | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.8 | -41.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | M422 A423 T424 I430 | M422-G426 PolarHBondContact O-N 3.04Å; A423-G426 PolarHBondContact O-N 2.76Å; T424-G426 VanDerWaalsContact C-N 3.35Å; T424-G426 PolarHBondContact O-N 3.16Å; G426-I430 WeakPolarHBondContact O-CG1 3.41Å; G426-I430 PolarHBondContact O-N 3.33Å |
| 427 | V | 96.3 | Very high | 93.6 | Very high | 6 Ų | 6 | 27 Ų | 27 | 4% | 0.036 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.6 | -47.5 | 175.6 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | I415 A423 T424 A429 I430 R431 R460 F464 | I415-V427 HydrophobicContact CD1-CG2 4.3Å; I415-V427 HydrophobicContact CG1-CG2 3.99Å; I415-V427 HydrophobicContact CG2-CG2 4.32Å; A423-V427 WeakPolarHBondContact O-CG2 3.36Å; A423-V427 PolarHBondContact O-N 2.71Å; T424-V427 PolarHBondContact O-N 3.4Å; V427-A429 VanDerWaalsContact C-N 3.35Å; V427-A429 PolarHBondContact O-N 3.13Å; V427-I430 PolarHBondContact O-N 3.31Å; V427-R431 VanDerWaalsContact O-CB 3.29Å; V427-R431 WeakPolarHBondContact O-CB 3.36Å; V427-R431 PolarHBondContact O-N 3.3Å; V427-R460 HydrophobicContact CG2-CG 4Å; V427-F464 HydrophobicContact CB-CZ 4.45Å; V427-F464 HydrophobicContact CG1-CE1 4.2Å; V427-F464 HydrophobicContact CG1-CZ 4.16Å; V427-F464 HydrophobicContact CG2-CZ 4.39Å |
| 428 | S | 96.4 | Very high | 94 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.014 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.3 | -36.1 | 178.1 | -69 | 0 | 0 | 0 | 0 | 112.5 | T424 R431 I432 | T424-S428 PolarHBondContact O-N 3.2Å; T424-S428 PolarHBondContact O-OG 2.9Å; S428-R431 PolarHBondContact O-N 3.24Å; S428-R431 PolarHBondContact OG-NH2 3.07Å; S428-I432 WeakPolarHBondContact O-CG1 3.41Å; S428-I432 PolarHBondContact O-N 3.44Å |
| 429 | A | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63 | -48.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F299 C386 A390 L411 S425 V427 R431 I432 I433 | F299-A429 HydrophobicContact CZ-CB 4.32Å; C386-A429 HydrophobicContact CB-CB 4.02Å; A390-A429 HydrophobicContact CB-CB 4.48Å; L411-A429 HydrophobicContact CD1-CB 3.77Å; L411-A429 HydrophobicContact CD2-CB 4.13Å; S425-A429 WeakPolarHBondContact O-CB 3.35Å; S425-A429 PolarHBondContact O-N 3.42Å; V427-A429 VanDerWaalsContact C-N 3.35Å; V427-A429 PolarHBondContact O-N 3.13Å; A429-R431 VanDerWaalsContact C-N 3.33Å; A429-R431 PolarHBondContact O-N 3.09Å; A429-I432 PolarHBondContact O-N 2.93Å; A429-I433 WeakPolarHBondContact O-CB 3.48Å; A429-I433 WeakPolarHBondContact O-CD1 3.24Å; A429-I433 WeakPolarHBondContact O-CG1 3.33Å; A429-I433 PolarHBondContact O-N 3.21Å |
| 430 | I | 98 | Very high | 95.3 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.6 | -41.9 | 177.4 | -65.3 | 164.4 | 0 | 0 | 0 | 111.1 | L411 F412 I415 G426 V427 I432 I433 I434 F464 | L411-I430 HydrophobicContact CB-CD1 3.73Å; L411-I430 HydrophobicContact CB-CG1 3.61Å; L411-I430 HydrophobicContact CD1-CG1 3.93Å; L411-I430 HydrophobicContact CG-CG1 4.43Å; F412-I430 HydrophobicContact CD1-CD1 4.3Å; F412-I430 HydrophobicContact CD2-CD1 4.21Å; F412-I430 HydrophobicContact CE1-CD1 4.41Å; F412-I430 HydrophobicContact CE2-CD1 4.35Å; F412-I430 HydrophobicContact CG-CD1 4.18Å; F412-I430 HydrophobicContact CZ-CD1 4.44Å; I415-I430 HydrophobicContact CD1-CD1 3.97Å; G426-I430 WeakPolarHBondContact O-CG1 3.41Å; G426-I430 PolarHBondContact O-N 3.33Å; V427-I430 PolarHBondContact O-N 3.31Å; I430-I432 PolarHBondContact O-N 3.34Å; I430-I433 PolarHBondContact O-N 3.05Å; I430-I434 HydrophobicContact CG2-CD1 3.78Å; I430-I434 HydrophobicContact CG2-CG1 4.38Å; I430-I434 WeakPolarHBondContact O-CG1 3.41Å; I430-I434 PolarHBondContact O-N 3.04Å; I430-F464 HydrophobicContact CB-CE1 3.97Å; I430-F464 HydrophobicContact CB-CE2 4.08Å; I430-F464 HydrophobicContact CB-CZ 3.67Å; I430-F464 HydrophobicContact CD1-CE2 3.87Å; I430-F464 HydrophobicContact CD1-CZ 4.01Å; I430-F464 HydrophobicContact CG1-CZ 4.46Å; I430-F464 HydrophobicContact CG2-CD1 3.92Å; I430-F464 HydrophobicContact CG2-CD2 3.8Å; I430-F464 HydrophobicContact CG2-CE1 3.73Å; I430-F464 HydrophobicContact CG2-CE2 3.61Å; I430-F464 HydrophobicContact CG2-CG 3.97Å; I430-F464 HydrophobicContact CG2-CZ 3.58Å |
| 431 | R | 96.9 | Very high | 95.6 | Very high | 33 Ų | 33 | 23.3 Ų | 23.3 | 13% | 0.125 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -56.4 | -48.6 | 177.8 | -166.4 | -156 | -43 | -146.5 | 28.9 | 112.1 | E296 V427 S428 A429 I434 R435 Y463 L467 | E296-R431 WeakPolarHBondContact OE1-CD 3.38Å; E296-R431 IonicContact OE1-CZ 3.24Å; E296-R431 VanDerWaalsContact OE1-CZ 3.26Å; E296-R431 IonicContact OE1-NE 2.66Å; E296-R431 PolarHBondContact OE1-NE 2.83Å; E296-R431 IonicContact OE1-NH1 2.88Å; E296-R431 PolarHBondContact OE1-NH1 3.19Å; E296-R431 IonicContact OE1-NH2 2.89Å; E296-R431 IonicContact OE2-CZ 3.77Å; E296-R431 IonicContact OE2-NE 3.71Å; E296-R431 IonicContact OE2-NH1 3.69Å; E296-R431 PolarHBondContact OE2-NH1 2.93Å; E296-R431 IonicContact OE2-NH2 2.72Å; E296-R431 PolarHBondContact OE2-NH2 3.11Å; V427-R431 VanDerWaalsContact O-CB 3.29Å; V427-R431 WeakPolarHBondContact O-CB 3.36Å; V427-R431 PolarHBondContact O-N 3.3Å; S428-R431 PolarHBondContact O-N 3.24Å; S428-R431 PolarHBondContact OG-NH2 3.07Å; A429-R431 VanDerWaalsContact C-N 3.33Å; A429-R431 PolarHBondContact O-N 3.09Å; R431-I434 PolarHBondContact O-N 3.26Å; R431-R435 PolarHBondContact O-N 2.77Å; R431-Y463 HydrophobicContact CG-CE1 4.29Å; R431-Y463 PolarHBondContact NH1-OH 3.42Å; R431-L467 HydrophobicContact CB-CD2 4.36Å; R431-L467 HydrophobicContact CG-CD2 3.62Å |
| 432 | I | 96.9 | Very high | 96 | Very high | 4 Ų | 4 | 20.7 Ų | 20.7 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -73.5 | -31.4 | 180 | -65.3 | 178 | 0 | 0 | 0 | 111.2 | F299 I300 F303 A390 S393 S428 A429 I430 R435 H436 | F299-I432 HydrophobicContact CD1-CD1 3.94Å; F299-I432 HydrophobicContact CE1-CD1 4Å; I300-I432 HydrophobicContact CD1-CD1 4.4Å; I300-I432 HydrophobicContact CG1-CD1 3.92Å; F303-I432 HydrophobicContact CE2-CD1 4.45Å; F303-I432 HydrophobicContact CZ-CD1 3.74Å; F303-I432 HydrophobicContact CZ-CG2 4.25Å; A390-I432 HydrophobicContact CB-CB 4.16Å; A390-I432 HydrophobicContact CB-CD1 4.35Å; A390-I432 HydrophobicContact CB-CG2 4.05Å; A390-I432 WeakPolarHBondContact O-CG2 3.44Å; S393-I432 PolarHBondContact OG-O 2.88Å; S428-I432 WeakPolarHBondContact O-CG1 3.41Å; S428-I432 PolarHBondContact O-N 3.44Å; A429-I432 PolarHBondContact O-N 2.93Å; I430-I432 PolarHBondContact O-N 3.34Å; I432-R435 PolarHBondContact O-N 3.37Å; I432-H436 PolarHBondContact O-CD2 2.92Å; I432-H436 VanDerWaalsContact O-CD2 3.31Å; I432-H436 PolarHBondContact O-N 3.34Å |
| 433 | I | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.3 | -47.7 | 169.1 | -68.7 | 164.4 | 0 | 0 | 0 | 111 | V389 S393 A404 I407 V408 L411 A429 I430 R435 H436 T437 L442 | V389-I433 HydrophobicContact CG1-CD1 3.92Å; S393-I433 WeakPolarHBondContact OG-CA 3.45Å; A404-I433 HydrophobicContact CB-CG2 3.71Å; I407-I433 HydrophobicContact CG2-CD1 4Å; V408-I433 HydrophobicContact CG2-CB 4.49Å; V408-I433 HydrophobicContact CG2-CD1 3.81Å; V408-I433 HydrophobicContact CG2-CG2 3.87Å; L411-I433 HydrophobicContact CD1-CD1 3.58Å; A429-I433 WeakPolarHBondContact O-CB 3.48Å; A429-I433 WeakPolarHBondContact O-CD1 3.24Å; A429-I433 WeakPolarHBondContact O-CG1 3.33Å; A429-I433 PolarHBondContact O-N 3.21Å; I430-I433 PolarHBondContact O-N 3.05Å; I433-R435 PolarHBondContact O-N 3.22Å; I433-H436 PolarHBondContact O-N 2.86Å; I433-T437 WeakPolarHBondContact O-CA 3.38Å; I433-T437 WeakPolarHBondContact O-CB 3.39Å; I433-T437 PolarHBondContact O-N 2.98Å; I433-L442 HydrophobicContact CG2-CD1 3.88Å |
| 434 | I | 97.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.2 | -43.7 | 178.5 | -68 | 165.9 | 0 | 0 | 0 | 111 | I430 R431 H436 H438 I446 F464 L467 L468 W472 | I430-I434 HydrophobicContact CG2-CD1 3.78Å; I430-I434 HydrophobicContact CG2-CG1 4.38Å; I430-I434 WeakPolarHBondContact O-CG1 3.41Å; I430-I434 PolarHBondContact O-N 3.04Å; R431-I434 PolarHBondContact O-N 3.26Å; I434-H436 PolarHBondContact O-N 2.89Å; I434-H438 PolarHBondContact O-CD2 3.31Å; I434-I446 HydrophobicContact CD1-CD1 3.7Å; I434-I446 HydrophobicContact CG1-CD1 4.06Å; I434-F464 HydrophobicContact CD1-CB 3.6Å; I434-F464 HydrophobicContact CD1-CD1 3.92Å; I434-F464 HydrophobicContact CD1-CG 3.87Å; I434-L467 HydrophobicContact CB-CD2 4.13Å; I434-L467 HydrophobicContact CG2-CD2 3.98Å; I434-L467 HydrophobicContact CG2-CG 4Å; I434-L468 HydrophobicContact CG2-CB 3.85Å; I434-L468 HydrophobicContact CG2-CD1 4.47Å; I434-L468 HydrophobicContact CG2-CG 4.41Å; I434-W472 PolarHBondContact O-NE1 3.47Å |
| 435 | R | 96.2 | Very high | 96.5 | Very high | 76 Ų | 76 | 23.4 Ų | 23.4 | 29% | 0.287 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -60.8 | -38.8 | -179.3 | 178.8 | 168.5 | -74 | 140.2 | 4.6 | 113.9 | R431 I432 I433 H438 E471 | R431-R435 PolarHBondContact O-N 2.77Å; I432-R435 PolarHBondContact O-N 3.37Å; I433-R435 PolarHBondContact O-N 3.22Å; R435-H438 PolarHBondContact O-CD2 3.36Å; R435-H438 PolarHBondContact O-NE2 3.49Å; R435-E471 IonicContact CZ-OE1 3.96Å; R435-E471 VanDerWaalsContact CZ-OE1 3.25Å; R435-E471 IonicContact NE-OE1 3.36Å; R435-E471 PolarHBondContact NE-OE1 2.93Å; R435-E471 IonicContact NE-OE2 3.35Å; R435-E471 IonicContact NH2-OE1 2.76Å; R435-E471 PolarHBondContact NH2-OE1 2.91Å |
| 436 | H | 96.1 | Very high | 96.6 | Very high | 74 Ų | 74 | 23.5 Ų | 23.5 | 34% | 0.343 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -111.9 | -21.9 | -171.7 | -59.5 | -81 | 0 | 0 | 0 | 115.4 | S393 G397 I432 I433 I434 | S393-H436 WeakPolarHBondContact O-CB 3.33Å; G397-H436 CarbonylContact C-O 3.58Å; G397-H436 WeakPolarHBondContact CA-O 3.47Å; I432-H436 PolarHBondContact O-CD2 2.92Å; I432-H436 VanDerWaalsContact O-CD2 3.31Å; I432-H436 PolarHBondContact O-N 3.34Å; I433-H436 PolarHBondContact O-N 2.86Å; I434-H436 PolarHBondContact O-N 2.89Å |
| 437 | T | 96.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -112.4 | 83.4 | -178.6 | -57.2 | 0 | 0 | 0 | 0 | 110.2 | S393 G397 A404 I433 V439 | S393-T437 PolarHBondContact OG-OG1 3.16Å; G397-T437 PolarHBondContact O-OG1 3.26Å; G397-T437 VanDerWaalsContact O-OG1 3.13Å; A404-T437 HydrophobicContact CB-CG2 3.74Å; I433-T437 WeakPolarHBondContact O-CA 3.38Å; I433-T437 WeakPolarHBondContact O-CB 3.39Å; I433-T437 PolarHBondContact O-N 2.98Å; T437-V439 HydrophobicContact CG2-CB 4.17Å; T437-V439 HydrophobicContact CG2-CG2 3.48Å; T437-V439 VanDerWaalsContact CG2-CG2 3.48Å; T437-V439 PolarHBondContact O-N 3.46Å | ||
| 438 | H | 95.5 | Very high | 96.6 | Very high | 46 Ų | 46 | 27.1 Ų | 27.1 | 21% | 0.213 | 14% | 0.137 | C | C | . | . | trans | -78.6 | 63.3 | -175.2 | -63.7 | -170.2 | 0 | 0 | 0 | 111.9 | N398 I434 R435 P440 E471 W472 | N398-H438 PolarHBondContact OD1-N 3.01Å; I434-H438 PolarHBondContact O-CD2 3.31Å; R435-H438 PolarHBondContact O-CD2 3.36Å; R435-H438 PolarHBondContact O-NE2 3.49Å; H438-P440 WeakPolarHBondContact O-CD 3.27Å; H438-E471 PolarHBondContact CE1-O 2.95Å; H438-W472 HydrophobicContact CB-CD2 4.14Å; H438-W472 HydrophobicContact CB-CG 4.28Å; H438-W472 AromaticContact CD2-CD1 3.39Å; H438-W472 AromaticContact CD2-NE1 3.3Å; H438-W472 PolarHBondContact CD2-NE1 2.95Å; H438-W472 VanDerWaalsContact CD2-NE1 3.3Å; H438-W472 AromaticContact CE1-CD1 3.86Å; H438-W472 AromaticContact CG-CD1 3.57Å; H438-W472 AromaticContact CG-CG 3.97Å; H438-W472 AromaticContact CG-NE1 3.7Å; H438-W472 AromaticContact ND1-CD1 3.87Å; H438-W472 AromaticContact NE2-CD1 3.59Å; H438-W472 AromaticContact NE2-NE1 3.88Å | ||
| 439 | V | 95.1 | Very high | 96.6 | Very high | 10 Ų | 10 | 29.1 Ų | 29.1 | 6% | 0.061 | 15% | 0.147 | C | C | . | . | trans | -107.7 | 110.3 | -170.6 | 171.4 | 0 | 0 | 0 | 0 | 110.2 | D401 T437 R441 L442 W472 | D401-V439 HydrophobicContact CB-CB 4.4Å; D401-V439 HydrophobicContact CB-CG1 4.02Å; D401-V439 HydrophobicContact CB-CG2 3.53Å; T437-V439 HydrophobicContact CG2-CB 4.17Å; T437-V439 HydrophobicContact CG2-CG2 3.48Å; T437-V439 VanDerWaalsContact CG2-CG2 3.48Å; T437-V439 PolarHBondContact O-N 3.46Å; V439-R441 HydrophobicContact CG1-CB 4.15Å; V439-R441 HydrophobicContact CG1-CG 4.27Å; V439-R441 PolarHBondContact O-N 3.38Å; V439-L442 HydrophobicContact CB-CD1 4.39Å; V439-L442 HydrophobicContact CB-CG 4.28Å; V439-L442 WeakPolarHBondContact O-CB 3.36Å; V439-L442 WeakPolarHBondContact O-CG 3.3Å; V439-L442 PolarHBondContact O-N 3.45Å; V439-W472 VanDerWaalsContact O-CH2 3.26Å; V439-W472 WeakPolarHBondContact O-CH2 3.43Å | ||
| 440 | P | 94.9 | Very high | 96.5 | Very high | 43 Ų | 43 | 29.1 Ų | 29.1 | 28% | 0.279 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -24.1 | -173.9 | -30.6 | 36.7 | 0 | 0 | 0 | 115.7 | H438 L442 I443 P444 S476 H480 | H438-P440 WeakPolarHBondContact O-CD 3.27Å; P440-L442 PolarHBondContact O-N 2.93Å; P440-I443 PolarHBondContact O-N 2.99Å; P440-I443 VanDerWaalsContact O-N 3.11Å; P440-P444 WeakPolarHBondContact O-CD 3.19Å; P440-S476 WeakPolarHBondContact CG-O 3.48Å; P440-H480 PolarHBondContact O-CE1 3.13Å |
| 441 | R | 95.8 | Very high | 96.3 | Very high | 98 Ų | 98 | 33.5 Ų | 33.5 | 37% | 0.37 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -17.5 | 176.2 | -48.3 | -165.2 | -55.6 | -89.2 | 3 | 113.5 | D401 E405 V439 | D401-R441 IonicContact OD2-CZ 2.71Å; D401-R441 VanDerWaalsContact OD2-CZ 3.24Å; D401-R441 IonicContact OD2-NH1 3.49Å; D401-R441 PolarHBondContact OD2-NH1 2.72Å; D401-R441 IonicContact OD2-NH2 3.55Å; D401-R441 PolarHBondContact OD2-NH2 3.43Å; E405-R441 WeakPolarHBondContact OE1-CB 3.24Å; E405-R441 WeakPolarHBondContact OE1-CD 3.24Å; E405-R441 IonicContact OE1-CZ 3.03Å; E405-R441 IonicContact OE1-NE 2.67Å; E405-R441 PolarHBondContact OE1-NE 3.24Å; E405-R441 IonicContact OE2-CZ 2.67Å; E405-R441 IonicContact OE2-NE 2.87Å; E405-R441 PolarHBondContact OE2-NE 3.4Å; E405-R441 IonicContact OE2-NH2 3.2Å; E405-R441 PolarHBondContact OE2-NH2 3.46Å; V439-R441 HydrophobicContact CG1-CB 4.15Å; V439-R441 HydrophobicContact CG1-CG 4.27Å; V439-R441 PolarHBondContact O-N 3.38Å |
| 442 | L | 97.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -76.1 | -24.4 | 173.6 | -55.1 | -179.5 | 0 | 0 | 0 | 113.2 | A404 E405 V408 I433 V439 P440 L445 I446 W472 | A404-L442 HydrophobicContact CB-CD1 4.23Å; A404-L442 HydrophobicContact CB-CD2 4.17Å; E405-L442 HydrophobicContact CB-CD2 4.36Å; V408-L442 HydrophobicContact CG2-CD2 4.31Å; I433-L442 HydrophobicContact CG2-CD1 3.88Å; V439-L442 HydrophobicContact CB-CD1 4.39Å; V439-L442 HydrophobicContact CB-CG 4.28Å; V439-L442 WeakPolarHBondContact O-CB 3.36Å; V439-L442 WeakPolarHBondContact O-CG 3.3Å; V439-L442 PolarHBondContact O-N 3.45Å; P440-L442 PolarHBondContact O-N 2.93Å; L442-L445 HydrophobicContact CD2-CD1 4.03Å; L442-L445 WeakPolarHBondContact O-CB 3.47Å; L442-L445 PolarHBondContact O-N 3.41Å; L442-I446 PolarHBondContact O-N 2.94Å; L442-W472 HydrophobicContact CB-CH2 4.29Å |
| 443 | I | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.2 | -45.9 | -177.1 | -62.7 | 163.4 | 0 | 0 | 0 | 111.6 | P440 L445 I446 T447 L468 W472 L477 H480 L484 | P440-I443 PolarHBondContact O-N 2.99Å; P440-I443 VanDerWaalsContact O-N 3.11Å; I443-L445 VanDerWaalsContact C-N 3.27Å; I443-L445 PolarHBondContact O-N 2.84Å; I443-I446 PolarHBondContact O-N 2.97Å; I443-T447 HydrophobicContact CG2-CG2 4.02Å; I443-T447 WeakPolarHBondContact O-CB 3.3Å; I443-T447 WeakPolarHBondContact O-CG2 3.46Å; I443-T447 PolarHBondContact O-N 2.92Å; I443-T447 PolarHBondContact O-OG1 3.26Å; I443-L468 HydrophobicContact CD1-CD2 4.23Å; I443-L468 HydrophobicContact CG1-CD1 3.79Å; I443-L468 HydrophobicContact CG1-CD2 4.04Å; I443-W472 HydrophobicContact CD1-CE3 4.19Å; I443-W472 HydrophobicContact CD1-CZ3 3.69Å; I443-W472 HydrophobicContact CG1-CH2 4.27Å; I443-W472 HydrophobicContact CG1-CZ3 3.78Å; I443-L477 HydrophobicContact CD1-CD2 3.98Å; I443-H480 HydrophobicContact CB-CB 4.33Å; I443-H480 HydrophobicContact CD1-CB 4.09Å; I443-H480 HydrophobicContact CG2-CB 3.74Å; I443-L484 HydrophobicContact CG2-CD2 3.86Å; I443-L484 HydrophobicContact CG2-CG 4.18Å |
| 444 | P | 96.3 | Very high | 96 | Very high | 55 Ų | 55 | 44.8 Ų | 44.8 | 36% | 0.357 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -56.7 | -34.2 | 170.1 | -28.9 | 36.8 | 0 | 0 | 0 | 114.7 | P440 T447 S448 | P440-P444 WeakPolarHBondContact O-CD 3.19Å; P444-T447 WeakPolarHBondContact CA-OG1 3.28Å; P444-T447 PolarHBondContact O-OG1 3.41Å; P444-S448 VanDerWaalsContact O-CB 3.25Å; P444-S448 WeakPolarHBondContact O-CB 3.4Å; P444-S448 PolarHBondContact O-N 3Å; P444-S448 VanDerWaalsContact O-N 3.08Å; P444-S448 PolarHBondContact O-OG 3.43Å |
| 445 | L | 96.5 | Very high | 95.9 | Very high | 42 Ų | 42 | 47.4 Ų | 47.4 | 22% | 0.22 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.8 | -36.6 | -179.4 | -54.8 | 178.9 | 0 | 0 | 0 | 112 | V408 P409 L442 I443 S448 N449 | V408-L445 HydrophobicContact CG1-CB 4.37Å; V408-L445 HydrophobicContact CG1-CD1 4.45Å; P409-L445 HydrophobicContact CG-CD1 3.97Å; P409-L445 HydrophobicContact CG-CD2 4.21Å; L442-L445 HydrophobicContact CD2-CD1 4.03Å; L442-L445 WeakPolarHBondContact O-CB 3.47Å; L442-L445 PolarHBondContact O-N 3.41Å; I443-L445 VanDerWaalsContact C-N 3.27Å; I443-L445 PolarHBondContact O-N 2.84Å; L445-S448 PolarHBondContact O-OG 2.96Å; L445-N449 PolarHBondContact O-ND2 3.44Å |
| 446 | I | 97.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -76 | -51.6 | 175.8 | -59 | 161.7 | 0 | 0 | 0 | 110.2 | F412 I434 L442 I443 S448 N449 C450 F464 L465 L468 | F412-I446 HydrophobicContact CE2-CG1 4.18Å; F412-I446 HydrophobicContact CZ-CB 4.35Å; F412-I446 HydrophobicContact CZ-CG1 4.09Å; F412-I446 HydrophobicContact CZ-CG2 4.38Å; I434-I446 HydrophobicContact CD1-CD1 3.7Å; I434-I446 HydrophobicContact CG1-CD1 4.06Å; L442-I446 PolarHBondContact O-N 2.94Å; I443-I446 PolarHBondContact O-N 2.97Å; I446-S448 PolarHBondContact O-N 2.86Å; I446-N449 PolarHBondContact O-N 2.89Å; I446-C450 PolarHBondContact O-N 2.97Å; I446-F464 HydrophobicContact CG2-CB 3.91Å; I446-L465 HydrophobicContact CB-CD2 4.22Å; I446-L465 HydrophobicContact CG2-CD2 3.62Å; I446-L465 HydrophobicContact CG2-CG 3.87Å; I446-L468 HydrophobicContact CD1-CD1 3.73Å |
| 447 | T | 97.2 | Very high | 95.8 | Very high | 10 Ų | 10 | 42.5 Ų | 42.5 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63 | -35 | -176.3 | 51.1 | 0 | 0 | 0 | 0 | 113.6 | I443 P444 N449 C450 L465 V483 L484 S487 | I443-T447 HydrophobicContact CG2-CG2 4.02Å; I443-T447 WeakPolarHBondContact O-CB 3.3Å; I443-T447 WeakPolarHBondContact O-CG2 3.46Å; I443-T447 PolarHBondContact O-N 2.92Å; I443-T447 PolarHBondContact O-OG1 3.26Å; P444-T447 WeakPolarHBondContact CA-OG1 3.28Å; P444-T447 PolarHBondContact O-OG1 3.41Å; T447-N449 PolarHBondContact O-N 3.48Å; T447-C450 VanDerWaalsContact O-CB 3.27Å; T447-C450 WeakPolarHBondContact O-CB 3.47Å; T447-C450 PolarHBondContact O-N 3.07Å; T447-C450 VanDerWaalsContact O-N 3.17Å; T447-L465 HydrophobicContact CG2-CD1 4.19Å; T447-L465 HydrophobicContact CG2-CD2 3.86Å; T447-V483 HydrophobicContact CG2-CG2 4.25Å; T447-L484 HydrophobicContact CG2-CD2 4.3Å; T447-S487 WeakPolarHBondContact CB-OG 3.4Å; T447-S487 WeakPolarHBondContact CG2-OG 3.46Å |
| 448 | S | 95.9 | Very high | 95.8 | Very high | 73 Ų | 73 | 44.1 Ų | 44.1 | 51% | 0.51 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.4 | -26.1 | 174.2 | 54.1 | 0 | 0 | 0 | 0 | 113.5 | P444 L445 I446 T451 | P444-S448 VanDerWaalsContact O-CB 3.25Å; P444-S448 WeakPolarHBondContact O-CB 3.4Å; P444-S448 PolarHBondContact O-N 3Å; P444-S448 VanDerWaalsContact O-N 3.08Å; P444-S448 PolarHBondContact O-OG 3.43Å; L445-S448 PolarHBondContact O-OG 2.96Å; I446-S448 PolarHBondContact O-N 2.86Å; S448-T451 PolarHBondContact O-OG1 3.4Å |
| 449 | N | 95.9 | Very high | 95.8 | Very high | 43 Ų | 43 | 46.6 Ų | 46.6 | 23% | 0.23 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -84.8 | -13.6 | 176 | -78.3 | -77.1 | 0 | 0 | 0 | 113.6 | F412 L445 I446 T447 T451 S452 V457 C461 | F412-N449 HydrophobicContact CD1-CB 4.19Å; F412-N449 HydrophobicContact CE1-CB 4.09Å; F412-N449 HydrophobicContact CZ-CB 4.49Å; L445-N449 PolarHBondContact O-ND2 3.44Å; I446-N449 PolarHBondContact O-N 2.89Å; T447-N449 PolarHBondContact O-N 3.48Å; N449-T451 PolarHBondContact O-N 3.14Å; N449-T451 VanDerWaalsContact O-N 3.09Å; N449-S452 WeakPolarHBondContact O-CB 3.3Å; N449-S452 PolarHBondContact O-N 3.09Å; N449-V457 HydrophobicContact CB-CG1 3.91Å; N449-C461 WeakPolarHBondContact CB-SG 3.37Å |
| 450 | C | 96 | Very high | 95.9 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.007 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -19.9 | 170.4 | -69.6 | 0 | 0 | 0 | 0 | 113.4 | I446 T447 R458 C461 Y462 L465 | I446-C450 PolarHBondContact O-N 2.97Å; T447-C450 VanDerWaalsContact O-CB 3.27Å; T447-C450 WeakPolarHBondContact O-CB 3.47Å; T447-C450 PolarHBondContact O-N 3.07Å; T447-C450 VanDerWaalsContact O-N 3.17Å; C450-R458 WeakPolarHBondContact O-CD 3.49Å; C450-R458 WeakPolarHBondContact O-CG 3.29Å; C450-C461 HydrophobicContact CB-CB 4.47Å; C450-C461 VanDerWaalsContact SG-CB 3.57Å; C450-Y462 HydrophobicContact CB-CE1 3.85Å; C450-Y462 PolarHBondContact O-OH 3.3Å; C450-Y462 VanDerWaalsContact O-OH 3.1Å; C450-L465 VanDerWaalsContact SG-CD1 3.59Å |
| 451 | T | 94.3 | Very high | 96 | Very high | 92 Ų | 92 | 48 Ų | 48 | 56% | 0.564 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | 17.1 | 173.7 | 47.9 | 0 | 0 | 0 | 0 | 114.1 | S448 N449 K490 | S448-T451 PolarHBondContact O-OG1 3.4Å; N449-T451 PolarHBondContact O-N 3.14Å; N449-T451 VanDerWaalsContact O-N 3.09Å; T451-K490 HydrophobicContact CG2-CD 3.7Å |
| 452 | S | 95.4 | Very high | 96.1 | Very high | 32 Ų | 32 | 43.5 Ų | 43.5 | 22% | 0.224 | 23% | 0.232 | C | C | . | . | trans | -62.3 | 146.6 | 179.6 | -175.7 | 0 | 0 | 0 | 0 | 112.9 | N449 S454 R458 | N449-S452 WeakPolarHBondContact O-CB 3.3Å; N449-S452 PolarHBondContact O-N 3.09Å; S452-S454 PolarHBondContact O-N 2.96Å; S452-S454 PolarHBondContact OG-N 3.33Å; S452-R458 WeakPolarHBondContact O-CD 3.37Å; S452-R458 VanDerWaalsContact O-CG 3.23Å; S452-R458 WeakPolarHBondContact O-CG 3.46Å; S452-R458 PolarHBondContact O-NH1 2.92Å | ||
| 453 | K | 94.9 | Very high | 96.1 | Very high | 207 Ų | 207 | 45.4 Ų | 45.4 | 90% | 0.9 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -61.3 | -32.6 | 172.8 | -66.9 | -175.9 | 179.4 | -179.5 | 0 | 111.9 | V455 R458 | K453-V455 PolarHBondContact O-N 2.66Å; K453-R458 PolarHBondContact O-NH1 2.84Å |
| 454 | S | 95.5 | Very high | 96.1 | Very high | 35 Ų | 35 | 45.4 Ų | 45.4 | 25% | 0.245 | 24% | 0.239 | C | C | . | . | trans | -74 | 120.2 | 177 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | S452 A456 V457 R458 | S452-S454 PolarHBondContact O-N 2.96Å; S452-S454 PolarHBondContact OG-N 3.33Å; S454-A456 VanDerWaalsContact C-N 3.3Å; S454-A456 PolarHBondContact O-N 3.42Å; S454-A456 PolarHBondContact OG-N 3.04Å; S454-V457 PolarHBondContact O-N 2.87Å; S454-V457 PolarHBondContact OG-N 2.88Å; S454-R458 PolarHBondContact O-N 2.94Å; S454-R458 VanDerWaalsContact O-N 3.08Å | ||
| 455 | V | 94.9 | Very high | 96.2 | Very high | 57 Ų | 57 | 42.8 Ų | 42.8 | 35% | 0.345 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.1 | -41.7 | 175 | -177.9 | 0 | 0 | 0 | 0 | 110.9 | K453 V457 R458 R459 D496 | K453-V455 PolarHBondContact O-N 2.66Å; V455-V457 VanDerWaalsContact C-N 3.3Å; V455-V457 PolarHBondContact O-N 2.75Å; V455-R458 PolarHBondContact O-N 3.05Å; V455-R459 HydrophobicContact CG1-CG 4.34Å; V455-R459 WeakPolarHBondContact O-CG 3.45Å; V455-R459 PolarHBondContact O-N 3.36Å; V455-D496 HydrophobicContact CG1-CB 3.71Å |
| 456 | A | 93.5 | Very high | 96.2 | Very high | 42 Ų | 42 | 40.9 Ų | 40.9 | 35% | 0.347 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.5 | -39.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S454 R460 | S454-A456 VanDerWaalsContact C-N 3.3Å; S454-A456 PolarHBondContact O-N 3.42Å; S454-A456 PolarHBondContact OG-N 3.04Å; A456-R460 WeakPolarHBondContact O-CG 3.3Å; A456-R460 PolarHBondContact O-N 2.7Å |
| 457 | V | 96.5 | Very high | 96.2 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.03 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.6 | -50.8 | 173.4 | 175 | 0 | 0 | 0 | 0 | 110.3 | F412 I415 P416 N449 S454 V455 R459 R460 C461 | F412-V457 HydrophobicContact CD1-CG1 4.31Å; I415-V457 HydrophobicContact CB-CG2 4.16Å; I415-V457 HydrophobicContact CG2-CG2 4.23Å; P416-V457 HydrophobicContact CB-CG2 4.31Å; P416-V457 HydrophobicContact CG-CG2 4.25Å; N449-V457 HydrophobicContact CB-CG1 3.91Å; S454-V457 PolarHBondContact O-N 2.87Å; S454-V457 PolarHBondContact OG-N 2.88Å; V455-V457 VanDerWaalsContact C-N 3.3Å; V455-V457 PolarHBondContact O-N 2.75Å; V457-R459 PolarHBondContact O-N 3.48Å; V457-R460 PolarHBondContact O-N 3.42Å; V457-C461 PolarHBondContact O-N 3.3Å; V457-C461 PolarHBondContact O-SG 3.03Å |
| 458 | R | 97.1 | Very high | 96.2 | Very high | 34 Ų | 34 | 40.8 Ų | 40.8 | 13% | 0.128 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.3 | -46.3 | -179.3 | -63.2 | -161 | -52.1 | -79.5 | 3.1 | 112.6 | C450 S452 K453 S454 V455 R460 C461 Y462 D494 | C450-R458 WeakPolarHBondContact O-CD 3.49Å; C450-R458 WeakPolarHBondContact O-CG 3.29Å; S452-R458 WeakPolarHBondContact O-CD 3.37Å; S452-R458 VanDerWaalsContact O-CG 3.23Å; S452-R458 WeakPolarHBondContact O-CG 3.46Å; S452-R458 PolarHBondContact O-NH1 2.92Å; K453-R458 PolarHBondContact O-NH1 2.84Å; S454-R458 PolarHBondContact O-N 2.94Å; S454-R458 VanDerWaalsContact O-N 3.08Å; V455-R458 PolarHBondContact O-N 3.05Å; R458-R460 PolarHBondContact O-N 2.83Å; R458-C461 WeakPolarHBondContact O-CB 3.17Å; R458-C461 PolarHBondContact O-N 2.89Å; R458-C461 VanDerWaalsContact O-N 3.16Å; R458-Y462 HydrophobicContact CB-CE2 4.3Å; R458-Y462 WeakPolarHBondContact O-CD2 3.39Å; R458-Y462 PolarHBondContact O-N 3.44Å; R458-D494 WeakPolarHBondContact CD-OD2 3.42Å; R458-D494 IonicContact CZ-OD1 3.71Å; R458-D494 IonicContact CZ-OD2 3.12Å; R458-D494 IonicContact NE-OD1 2.66Å; R458-D494 PolarHBondContact NE-OD1 3.23Å; R458-D494 IonicContact NE-OD2 3.81Å; R458-D494 PolarHBondContact NE-OD2 3.23Å; R458-D494 IonicContact NH2-OD1 3.3Å; R458-D494 PolarHBondContact NH2-OD1 2.94Å; R458-D494 IonicContact NH2-OD2 2.77Å |
| 459 | R | 95.4 | Very high | 96.2 | Very high | 98 Ų | 98 | 37.4 Ų | 37.4 | 37% | 0.37 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -51.1 | -54.8 | 173.4 | -72.1 | 176.8 | -178 | -171.2 | -0.1 | 111.5 | V455 V457 C461 Y462 Y463 D496 E498 A499 | V455-R459 HydrophobicContact CG1-CG 4.34Å; V455-R459 WeakPolarHBondContact O-CG 3.45Å; V455-R459 PolarHBondContact O-N 3.36Å; V457-R459 PolarHBondContact O-N 3.48Å; R459-C461 VanDerWaalsContact C-N 3.31Å; R459-C461 PolarHBondContact O-N 3.13Å; R459-Y462 PolarHBondContact O-N 3.28Å; R459-Y463 PolarHBondContact O-N 3.45Å; R459-D496 WeakPolarHBondContact CG-OD2 3.19Å; R459-D496 IonicContact CZ-OD1 3.59Å; R459-D496 IonicContact CZ-OD2 3.45Å; R459-D496 IonicContact NE-OD1 2.63Å; R459-D496 PolarHBondContact NE-OD1 3.24Å; R459-D496 IonicContact NE-OD2 3.85Å; R459-D496 PolarHBondContact NE-OD2 3.11Å; R459-D496 IonicContact NH2-OD1 3.3Å; R459-D496 PolarHBondContact NH2-OD1 2.73Å; R459-D496 IonicContact NH2-OD2 2.7Å; R459-E498 HydrophobicContact CG-CB 4.07Å; R459-A499 HydrophobicContact CG-CB 4.13Å |
| 460 | R | 96.6 | Very high | 96.1 | Very high | 83 Ų | 83 | 40.6 Ų | 40.6 | 31% | 0.313 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.8 | -29.4 | -179.8 | -67.4 | -62 | -171.3 | -173 | 3.2 | 112.9 | I415 V427 A456 V457 R458 Y463 F464 | I415-R460 HydrophobicContact CD1-CB 4.16Å; I415-R460 HydrophobicContact CG2-CB 4.17Å; I415-R460 HydrophobicContact CG2-CG 3.87Å; V427-R460 HydrophobicContact CG2-CG 4Å; A456-R460 WeakPolarHBondContact O-CG 3.3Å; A456-R460 PolarHBondContact O-N 2.7Å; V457-R460 PolarHBondContact O-N 3.42Å; R458-R460 PolarHBondContact O-N 2.83Å; R460-Y463 PolarHBondContact O-N 2.87Å; R460-F464 HydrophobicContact CB-CD2 4.49Å; R460-F464 HydrophobicContact CB-CE2 3.98Å; R460-F464 HydrophobicContact CB-CZ 4.24Å; R460-F464 WeakPolarHBondContact O-CB 3.43Å; R460-F464 WeakPolarHBondContact O-CD2 3.36Å; R460-F464 WeakPolarHBondContact O-CG 3.43Å; R460-F464 PolarHBondContact O-N 3.49Å |
| 461 | C | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.1 | -42.6 | 175.1 | -64.9 | 0 | 0 | 0 | 0 | 112.7 | F412 N449 C450 V457 R458 R459 F464 L465 | F412-C461 VanDerWaalsContact CE1-SG 3.53Å; N449-C461 WeakPolarHBondContact CB-SG 3.37Å; C450-C461 HydrophobicContact CB-CB 4.47Å; C450-C461 VanDerWaalsContact SG-CB 3.57Å; V457-C461 PolarHBondContact O-N 3.3Å; V457-C461 PolarHBondContact O-SG 3.03Å; R458-C461 WeakPolarHBondContact O-CB 3.17Å; R458-C461 PolarHBondContact O-N 2.89Å; R458-C461 VanDerWaalsContact O-N 3.16Å; R459-C461 VanDerWaalsContact C-N 3.31Å; R459-C461 PolarHBondContact O-N 3.13Å; C461-F464 PolarHBondContact O-N 3.45Å; C461-L465 WeakPolarHBondContact O-CG 3.48Å; C461-L465 PolarHBondContact O-N 3.29Å |
| 462 | Y | 97.7 | Very high | 96.1 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.3 | -39.1 | 176.5 | -62.2 | -60.3 | 0 | 0 | 0 | 111.6 | C450 R458 R459 F464 L465 D466 S487 G491 A499 A503 T506 | C450-Y462 HydrophobicContact CB-CE1 3.85Å; C450-Y462 PolarHBondContact O-OH 3.3Å; C450-Y462 VanDerWaalsContact O-OH 3.1Å; R458-Y462 HydrophobicContact CB-CE2 4.3Å; R458-Y462 WeakPolarHBondContact O-CD2 3.39Å; R458-Y462 PolarHBondContact O-N 3.44Å; R459-Y462 PolarHBondContact O-N 3.28Å; Y462-F464 VanDerWaalsContact C-N 3.32Å; Y462-F464 PolarHBondContact O-N 3.02Å; Y462-L465 HydrophobicContact CD1-CD1 4.39Å; Y462-L465 PolarHBondContact O-N 3.22Å; Y462-D466 WeakPolarHBondContact O-CB 3.38Å; Y462-D466 PolarHBondContact O-N 2.89Å; Y462-S487 WeakPolarHBondContact CE1-O 2.96Å; Y462-G491 VanDerWaalsContact OH-CA 3.27Å; Y462-G491 WeakPolarHBondContact OH-CA 3.46Å; Y462-G491 PolarHBondContact OH-N 2.96Å; Y462-A499 HydrophobicContact CD2-CB 4.06Å; Y462-A499 HydrophobicContact CE2-CB 4.19Å; Y462-A503 HydrophobicContact CD1-CB 3.98Å; Y462-A503 HydrophobicContact CD2-CB 4.37Å; Y462-A503 HydrophobicContact CE1-CB 4.43Å; Y462-A503 HydrophobicContact CG-CB 3.98Å; Y462-T506 PolarHBondContact O-OG1 3.33Å; Y462-T506 VanDerWaalsContact O-OG1 3.14Å |
| 463 | Y | 96.5 | Very high | 96 | Very high | 41 Ų | 41 | 44.2 Ų | 44.2 | 16% | 0.161 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.8 | -41.5 | 168.3 | 169.2 | -97.2 | 0 | 0 | 0 | 112.9 | R431 R459 R460 D466 L467 | R431-Y463 HydrophobicContact CG-CE1 4.29Å; R431-Y463 PolarHBondContact NH1-OH 3.42Å; R459-Y463 PolarHBondContact O-N 3.45Å; R460-Y463 PolarHBondContact O-N 2.87Å; Y463-D466 PolarHBondContact O-N 2.96Å; Y463-L467 WeakPolarHBondContact O-CB 3.26Å; Y463-L467 PolarHBondContact O-N 3.31Å |
| 464 | F | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.7 | -35.7 | 176.3 | -66.7 | -34.6 | 0 | 0 | 0 | 113.2 | F412 I415 V427 I430 I434 I446 R460 C461 Y462 L468 | F412-F464 AromaticContact CE1-CD2 3.89Å; F412-F464 HydrophobicContact CE1-CD2 3.89Å; F412-F464 AromaticContact CE1-CE2 3.82Å; F412-F464 HydrophobicContact CE1-CE2 3.82Å; F412-F464 AromaticContact CZ-CD2 3.82Å; F412-F464 HydrophobicContact CZ-CD2 3.82Å; F412-F464 HydrophobicContact CZ-CE2 4.06Å; I415-F464 HydrophobicContact CD1-CE2 3.72Å; I415-F464 HydrophobicContact CD1-CZ 4.19Å; V427-F464 HydrophobicContact CB-CZ 4.45Å; V427-F464 HydrophobicContact CG1-CE1 4.2Å; V427-F464 HydrophobicContact CG1-CZ 4.16Å; V427-F464 HydrophobicContact CG2-CZ 4.39Å; I430-F464 HydrophobicContact CB-CE1 3.97Å; I430-F464 HydrophobicContact CB-CE2 4.08Å; I430-F464 HydrophobicContact CB-CZ 3.67Å; I430-F464 HydrophobicContact CD1-CE2 3.87Å; I430-F464 HydrophobicContact CD1-CZ 4.01Å; I430-F464 HydrophobicContact CG1-CZ 4.46Å; I430-F464 HydrophobicContact CG2-CD1 3.92Å; I430-F464 HydrophobicContact CG2-CD2 3.8Å; I430-F464 HydrophobicContact CG2-CE1 3.73Å; I430-F464 HydrophobicContact CG2-CE2 3.61Å; I430-F464 HydrophobicContact CG2-CG 3.97Å; I430-F464 HydrophobicContact CG2-CZ 3.58Å; I434-F464 HydrophobicContact CD1-CB 3.6Å; I434-F464 HydrophobicContact CD1-CD1 3.92Å; I434-F464 HydrophobicContact CD1-CG 3.87Å; I446-F464 HydrophobicContact CG2-CB 3.91Å; R460-F464 HydrophobicContact CB-CD2 4.49Å; R460-F464 HydrophobicContact CB-CE2 3.98Å; R460-F464 HydrophobicContact CB-CZ 4.24Å; R460-F464 WeakPolarHBondContact O-CB 3.43Å; R460-F464 WeakPolarHBondContact O-CD2 3.36Å; R460-F464 WeakPolarHBondContact O-CG 3.43Å; R460-F464 PolarHBondContact O-N 3.49Å; C461-F464 PolarHBondContact O-N 3.45Å; Y462-F464 VanDerWaalsContact C-N 3.32Å; Y462-F464 PolarHBondContact O-N 3.02Å; F464-L468 WeakPolarHBondContact O-CB 3.15Å; F464-L468 PolarHBondContact O-N 3.36Å |
| 465 | L | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.8 | -37.8 | 172.9 | -69.6 | -177.1 | 0 | 0 | 0 | 111.7 | I446 T447 C450 C461 Y462 L468 L469 L484 T506 | I446-L465 HydrophobicContact CB-CD2 4.22Å; I446-L465 HydrophobicContact CG2-CD2 3.62Å; I446-L465 HydrophobicContact CG2-CG 3.87Å; T447-L465 HydrophobicContact CG2-CD1 4.19Å; T447-L465 HydrophobicContact CG2-CD2 3.86Å; C450-L465 VanDerWaalsContact SG-CD1 3.59Å; C461-L465 WeakPolarHBondContact O-CG 3.48Å; C461-L465 PolarHBondContact O-N 3.29Å; Y462-L465 HydrophobicContact CD1-CD1 4.39Å; Y462-L465 PolarHBondContact O-N 3.22Å; L465-L468 PolarHBondContact O-N 3.41Å; L465-L469 WeakPolarHBondContact O-CB 3.36Å; L465-L469 VanDerWaalsContact O-CG 3.23Å; L465-L469 WeakPolarHBondContact O-CG 3.46Å; L465-L469 PolarHBondContact O-N 2.8Å; L465-L484 HydrophobicContact CD2-CD2 3.87Å; L465-T506 HydrophobicContact CB-CG2 3.64Å |
| 466 | D | 96.4 | Very high | 95.8 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.5 | -46.9 | 175.6 | 177.8 | 72.6 | 0 | 0 | 0 | 111.7 | Y462 Y463 L469 Q470 K505 T506 | Y462-D466 WeakPolarHBondContact O-CB 3.38Å; Y462-D466 PolarHBondContact O-N 2.89Å; Y463-D466 PolarHBondContact O-N 2.96Å; D466-L469 CarbonylContact O-C 3.4Å; D466-L469 PolarHBondContact O-N 2.83Å; D466-Q470 WeakPolarHBondContact O-CG 3.46Å; D466-Q470 PolarHBondContact O-N 3.27Å; D466-Q470 PolarHBondContact O-NE2 3.2Å; D466-Q470 PolarHBondContact OD1-NE2 3.1Å; D466-Q470 PolarHBondContact OD2-NE2 3.13Å; D466-K505 WeakPolarHBondContact OD1-CG 3.25Å; D466-K505 VanDerWaalsContact OD2-CD 3.31Å; D466-K505 WeakPolarHBondContact OD2-CD 3.31Å; D466-K505 WeakPolarHBondContact OD2-CE 2.9Å; D466-K505 IonicContact OD2-NZ 2.87Å; D466-K505 PolarHBondContact OD2-NZ 3.16Å; D466-T506 PolarHBondContact OD1-N 3.25Å |
| 467 | L | 96.6 | Very high | 96 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60 | -44.5 | 172.3 | -179 | 67.9 | 0 | 0 | 0 | 112 | R431 I434 Y463 L469 Q470 E471 | R431-L467 HydrophobicContact CB-CD2 4.36Å; R431-L467 HydrophobicContact CG-CD2 3.62Å; I434-L467 HydrophobicContact CB-CD2 4.13Å; I434-L467 HydrophobicContact CG2-CD2 3.98Å; I434-L467 HydrophobicContact CG2-CG 4Å; Y463-L467 WeakPolarHBondContact O-CB 3.26Å; Y463-L467 PolarHBondContact O-N 3.31Å; L467-L469 VanDerWaalsContact C-N 3.27Å; L467-L469 PolarHBondContact O-N 3.43Å; L467-Q470 PolarHBondContact O-N 2.97Å; L467-E471 HydrophobicContact CD1-CG 3.61Å; L467-E471 WeakPolarHBondContact CD1-OE1 3.42Å; L467-E471 HydrophobicContact CG-CG 4.01Å; L467-E471 VanDerWaalsContact O-CG 3.26Å; L467-E471 WeakPolarHBondContact O-CG 3.26Å; L467-E471 PolarHBondContact O-N 3.45Å |
| 468 | L | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.6 | -33.1 | 179.2 | -174.6 | 147.4 | 0 | 0 | 0 | 112.2 | I434 I443 I446 F464 L465 Q470 W472 L477 | I434-L468 HydrophobicContact CG2-CB 3.85Å; I434-L468 HydrophobicContact CG2-CD1 4.47Å; I434-L468 HydrophobicContact CG2-CG 4.41Å; I443-L468 HydrophobicContact CD1-CD2 4.23Å; I443-L468 HydrophobicContact CG1-CD1 3.79Å; I443-L468 HydrophobicContact CG1-CD2 4.04Å; I446-L468 HydrophobicContact CD1-CD1 3.73Å; F464-L468 WeakPolarHBondContact O-CB 3.15Å; F464-L468 PolarHBondContact O-N 3.36Å; L465-L468 PolarHBondContact O-N 3.41Å; L468-Q470 VanDerWaalsContact C-N 3.28Å; L468-Q470 PolarHBondContact O-N 2.85Å; L468-W472 HydrophobicContact CD1-CD2 4.17Å; L468-W472 HydrophobicContact CD1-CE3 4.15Å; L468-W472 HydrophobicContact CD1-CH2 3.66Å; L468-W472 HydrophobicContact CD1-CZ2 3.67Å; L468-W472 HydrophobicContact CD1-CZ3 3.91Å; L468-W472 HydrophobicContact CD2-CD2 4.26Å; L468-W472 HydrophobicContact CD2-CE3 4.1Å; L468-W472 HydrophobicContact CD2-CZ3 4.48Å; L468-W472 HydrophobicContact CG-CD2 3.71Å; L468-W472 HydrophobicContact CG-CE3 3.94Å; L468-W472 HydrophobicContact CG-CG 4.19Å; L468-W472 HydrophobicContact CG-CH2 4.3Å; L468-W472 HydrophobicContact CG-CZ2 4.1Å; L468-W472 HydrophobicContact CG-CZ3 4.23Å; L468-W472 VanDerWaalsContact O-CB 3.29Å; L468-W472 WeakPolarHBondContact O-CB 3.21Å; L468-W472 PolarHBondContact O-N 2.85Å; L468-L477 HydrophobicContact CD2-CD2 3.39Å |
| 469 | L | 95.9 | Very high | 95.8 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -86.4 | 11.3 | 174.5 | -65.2 | 169.2 | 0 | 0 | 0 | 113.9 | L465 D466 L467 L477 L484 I488 T506 L510 H513 | L465-L469 WeakPolarHBondContact O-CB 3.36Å; L465-L469 VanDerWaalsContact O-CG 3.23Å; L465-L469 WeakPolarHBondContact O-CG 3.46Å; L465-L469 PolarHBondContact O-N 2.8Å; D466-L469 CarbonylContact O-C 3.4Å; D466-L469 PolarHBondContact O-N 2.83Å; L467-L469 VanDerWaalsContact C-N 3.27Å; L467-L469 PolarHBondContact O-N 3.43Å; L469-L477 HydrophobicContact CD2-CD1 3.8Å; L469-L477 HydrophobicContact CD2-CD2 4.45Å; L469-L484 HydrophobicContact CD2-CD1 4.33Å; L469-I488 HydrophobicContact CD1-CD1 4.11Å; L469-T506 HydrophobicContact CD1-CG2 3.68Å; L469-L510 HydrophobicContact CD1-CB 4.27Å; L469-H513 PolarHBondContact O-NE2 3.49Å |
| 470 | Q | 94.4 | Very high | 95.9 | Very high | 111 Ų | 111 | 46.4 Ų | 46.4 | 52% | 0.519 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -117.4 | -38.8 | 171.4 | -73.7 | 161.7 | 29.7 | 0 | 0 | 111.3 | D466 L467 L468 | D466-Q470 WeakPolarHBondContact O-CG 3.46Å; D466-Q470 PolarHBondContact O-N 3.27Å; D466-Q470 PolarHBondContact O-NE2 3.2Å; D466-Q470 PolarHBondContact OD1-NE2 3.1Å; D466-Q470 PolarHBondContact OD2-NE2 3.13Å; L467-Q470 PolarHBondContact O-N 2.97Å; L468-Q470 VanDerWaalsContact C-N 3.28Å; L468-Q470 PolarHBondContact O-N 2.85Å |
| 471 | E | 93.4 | Very high | 95.9 | Very high | 66 Ų | 66 | 43.1 Ų | 43.1 | 31% | 0.308 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -89.4 | -26.1 | -174 | -55.7 | -87 | -166.1 | 0 | 0 | 112.9 | R435 H438 L467 | R435-E471 IonicContact CZ-OE1 3.96Å; R435-E471 VanDerWaalsContact CZ-OE1 3.25Å; R435-E471 IonicContact NE-OE1 3.36Å; R435-E471 PolarHBondContact NE-OE1 2.93Å; R435-E471 IonicContact NE-OE2 3.35Å; R435-E471 IonicContact NH2-OE1 2.76Å; R435-E471 PolarHBondContact NH2-OE1 2.91Å; H438-E471 PolarHBondContact CE1-O 2.95Å; L467-E471 HydrophobicContact CD1-CG 3.61Å; L467-E471 WeakPolarHBondContact CD1-OE1 3.42Å; L467-E471 HydrophobicContact CG-CG 4.01Å; L467-E471 VanDerWaalsContact O-CG 3.26Å; L467-E471 WeakPolarHBondContact O-CG 3.26Å; L467-E471 PolarHBondContact O-N 3.45Å |
| 472 | W | 96.4 | Very high | 95.9 | Very high | 6 Ų | 6 | 47 Ų | 47 | 2% | 0.023 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -99.7 | 150.5 | -170.5 | -64.9 | 18 | 0 | 0 | 0 | 113.5 | I434 H438 V439 L442 I443 L468 L477 H513 | I434-W472 PolarHBondContact O-NE1 3.47Å; H438-W472 HydrophobicContact CB-CD2 4.14Å; H438-W472 HydrophobicContact CB-CG 4.28Å; H438-W472 AromaticContact CD2-CD1 3.39Å; H438-W472 AromaticContact CD2-NE1 3.3Å; H438-W472 PolarHBondContact CD2-NE1 2.95Å; H438-W472 VanDerWaalsContact CD2-NE1 3.3Å; H438-W472 AromaticContact CE1-CD1 3.86Å; H438-W472 AromaticContact CG-CD1 3.57Å; H438-W472 AromaticContact CG-CG 3.97Å; H438-W472 AromaticContact CG-NE1 3.7Å; H438-W472 AromaticContact ND1-CD1 3.87Å; H438-W472 AromaticContact NE2-CD1 3.59Å; H438-W472 AromaticContact NE2-NE1 3.88Å; V439-W472 VanDerWaalsContact O-CH2 3.26Å; V439-W472 WeakPolarHBondContact O-CH2 3.43Å; L442-W472 HydrophobicContact CB-CH2 4.29Å; I443-W472 HydrophobicContact CD1-CE3 4.19Å; I443-W472 HydrophobicContact CD1-CZ3 3.69Å; I443-W472 HydrophobicContact CG1-CH2 4.27Å; I443-W472 HydrophobicContact CG1-CZ3 3.78Å; L468-W472 HydrophobicContact CD1-CD2 4.17Å; L468-W472 HydrophobicContact CD1-CE3 4.15Å; L468-W472 HydrophobicContact CD1-CH2 3.66Å; L468-W472 HydrophobicContact CD1-CZ2 3.67Å; L468-W472 HydrophobicContact CD1-CZ3 3.91Å; L468-W472 HydrophobicContact CD2-CD2 4.26Å; L468-W472 HydrophobicContact CD2-CE3 4.1Å; L468-W472 HydrophobicContact CD2-CZ3 4.48Å; L468-W472 HydrophobicContact CG-CD2 3.71Å; L468-W472 HydrophobicContact CG-CE3 3.94Å; L468-W472 HydrophobicContact CG-CG 4.19Å; L468-W472 HydrophobicContact CG-CH2 4.3Å; L468-W472 HydrophobicContact CG-CZ2 4.1Å; L468-W472 HydrophobicContact CG-CZ3 4.23Å; L468-W472 VanDerWaalsContact O-CB 3.29Å; L468-W472 WeakPolarHBondContact O-CB 3.21Å; L468-W472 PolarHBondContact O-N 2.85Å; W472-L477 HydrophobicContact CB-CD2 4.17Å; W472-L477 HydrophobicContact CE3-CD2 3.9Å; W472-H513 PolarHBondContact O-CE1 2.82Å; W472-H513 PolarHBondContact O-NE2 3.48Å |
| 473 | Q | 94.2 | Very high | 95.8 | Very high | 128 Ų | 128 | 49.5 Ų | 49.5 | 60% | 0.598 | 25% | 0.251 | S | S | * | . | trans | -80.3 | 146.5 | 175.7 | -60.6 | -175.8 | 4.4 | 0 | 0 | 112.5 | H475 S476 | Q473-H475 VanDerWaalsContact C-N 3.26Å; Q473-H475 PolarHBondContact O-N 3.24Å; Q473-H475 VanDerWaalsContact O-N 3.09Å; Q473-H475 PolarHBondContact OE1-CE1 3.44Å; Q473-H475 PolarHBondContact OE1-ND1 3.36Å; Q473-S476 WeakPolarHBondContact O-CB 3.26Å; Q473-S476 PolarHBondContact O-N 3.37Å | ||
| 474 | T | 93.9 | Very high | 95.9 | Very high | 54 Ų | 54 | 47.6 Ų | 47.6 | 33% | 0.331 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -47.7 | -42.4 | -176.1 | -47.7 | 0 | 0 | 0 | 0 | 114 | S476 L477 E478 H513 F514 | T474-S476 PolarHBondContact O-N 3.44Å; T474-L477 WeakPolarHBondContact O-CA 3.43Å; T474-L477 WeakPolarHBondContact O-CB 3.41Å; T474-L477 PolarHBondContact O-N 3.45Å; T474-E478 HydrophobicContact CG2-CG 4.43Å; T474-E478 PolarHBondContact O-N 2.84Å; T474-E478 VanDerWaalsContact O-N 3.08Å; T474-H513 HydrophobicContact CG2-CB 4.28Å; T474-H513 PolarHBondContact OG1-ND1 3.32Å; T474-F514 HydrophobicContact CG2-CD1 4.45Å; T474-F514 HydrophobicContact CG2-CE1 3.65Å; T474-F514 HydrophobicContact CG2-CZ 3.7Å |
| 475 | H | 93.5 | Very high | 95.9 | Very high | 114 Ų | 114 | 48.5 Ų | 48.5 | 53% | 0.528 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.9 | -26.2 | -177.5 | 77 | -100.8 | 0 | 0 | 0 | 114.1 | Q473 L477 E478 | Q473-H475 VanDerWaalsContact C-N 3.26Å; Q473-H475 PolarHBondContact O-N 3.24Å; Q473-H475 VanDerWaalsContact O-N 3.09Å; Q473-H475 PolarHBondContact OE1-CE1 3.44Å; Q473-H475 PolarHBondContact OE1-ND1 3.36Å; H475-L477 VanDerWaalsContact C-N 3.31Å; H475-E478 WeakPolarHBondContact CA-OE1 3.35Å |
| 476 | S | 94.4 | Very high | 95.9 | Very high | 16 Ų | 16 | 52 Ų | 52 | 11% | 0.112 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -77.1 | -19.8 | 173.9 | -70.8 | 0 | 0 | 0 | 0 | 112.7 | P440 Q473 T474 | P440-S476 WeakPolarHBondContact CG-O 3.48Å; Q473-S476 WeakPolarHBondContact O-CB 3.26Å; Q473-S476 PolarHBondContact O-N 3.37Å; T474-S476 PolarHBondContact O-N 3.44Å |
| 477 | L | 96 | Very high | 95.9 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -97.9 | -31.9 | -172.9 | -54.1 | 174.2 | 0 | 0 | 0 | 112.7 | I443 L468 L469 W472 T474 H475 K479 H480 T481 L484 H513 F514 | I443-L477 HydrophobicContact CD1-CD2 3.98Å; L468-L477 HydrophobicContact CD2-CD2 3.39Å; L469-L477 HydrophobicContact CD2-CD1 3.8Å; L469-L477 HydrophobicContact CD2-CD2 4.45Å; W472-L477 HydrophobicContact CB-CD2 4.17Å; W472-L477 HydrophobicContact CE3-CD2 3.9Å; T474-L477 WeakPolarHBondContact O-CA 3.43Å; T474-L477 WeakPolarHBondContact O-CB 3.41Å; T474-L477 PolarHBondContact O-N 3.45Å; H475-L477 VanDerWaalsContact C-N 3.31Å; L477-K479 VanDerWaalsContact C-N 3.28Å; L477-K479 PolarHBondContact O-N 3.33Å; L477-K479 VanDerWaalsContact O-N 3.1Å; L477-H480 CarbonylContact O-C 3.59Å; L477-H480 WeakPolarHBondContact O-CA 3.43Å; L477-H480 PolarHBondContact O-N 3.02Å; L477-T481 PolarHBondContact O-N 3.27Å; L477-T481 PolarHBondContact O-OG1 3.1Å; L477-L484 HydrophobicContact CB-CD1 4.38Å; L477-H513 HydrophobicContact CD1-CB 4.34Å; L477-F514 HydrophobicContact CB-CE2 3.72Å; L477-F514 HydrophobicContact CB-CZ 3.8Å; L477-F514 HydrophobicContact CD1-CE2 4.37Å |
| 478 | E | 94.1 | Very high | 96 | Very high | 113 Ų | 113 | 51.9 Ų | 51.9 | 53% | 0.528 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -45.9 | -43.8 | -174.5 | -78.7 | 162.2 | -154.1 | 0 | 0 | 114.6 | T474 H475 H480 T481 F514 | T474-E478 HydrophobicContact CG2-CG 4.43Å; T474-E478 PolarHBondContact O-N 2.84Å; T474-E478 VanDerWaalsContact O-N 3.08Å; H475-E478 WeakPolarHBondContact CA-OE1 3.35Å; E478-H480 PolarHBondContact O-N 3.46Å; E478-H480 VanDerWaalsContact O-N 3.13Å; E478-T481 WeakPolarHBondContact CA-OG1 3.28Å; E478-T481 PolarHBondContact O-N 3.04Å; E478-T481 PolarHBondContact O-OG1 3.47Å; E478-F514 HydrophobicContact CG-CE1 3.87Å; E478-F514 HydrophobicContact CG-CZ 4.08Å |
| 479 | K | 96.2 | Very high | 96 | Very high | 192 Ų | 192 | 54 Ų | 54 | 84% | 0.835 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -68.9 | -9.5 | -179.6 | -66.1 | 178.6 | -178.6 | 172.4 | 0 | 113.9 | L477 | L477-K479 VanDerWaalsContact C-N 3.28Å; L477-K479 PolarHBondContact O-N 3.33Å; L477-K479 VanDerWaalsContact O-N 3.1Å |
| 480 | H | 97.4 | Very high | 96 | Very high | 35 Ų | 35 | 57.9 Ų | 57.9 | 16% | 0.162 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -124 | 2.7 | -176.9 | -61.6 | 107.3 | 0 | 0 | 0 | 113.5 | P440 I443 L477 E478 A482 V483 L484 | P440-H480 PolarHBondContact O-CE1 3.13Å; I443-H480 HydrophobicContact CB-CB 4.33Å; I443-H480 HydrophobicContact CD1-CB 4.09Å; I443-H480 HydrophobicContact CG2-CB 3.74Å; L477-H480 CarbonylContact O-C 3.59Å; L477-H480 WeakPolarHBondContact O-CA 3.43Å; L477-H480 PolarHBondContact O-N 3.02Å; E478-H480 PolarHBondContact O-N 3.46Å; E478-H480 VanDerWaalsContact O-N 3.13Å; H480-A482 VanDerWaalsContact C-N 3.27Å; H480-A482 PolarHBondContact O-N 3.16Å; H480-A482 VanDerWaalsContact O-N 3.15Å; H480-V483 HydrophobicContact CB-CG1 3.87Å; H480-V483 WeakPolarHBondContact O-CG1 3.28Å; H480-V483 PolarHBondContact O-N 3.41Å; H480-L484 HydrophobicContact CB-CD1 4.31Å; H480-L484 HydrophobicContact CB-CG 4.48Å; H480-L484 WeakPolarHBondContact O-CG 3.19Å; H480-L484 PolarHBondContact O-N 2.93Å |
| 481 | T | 96.8 | Very high | 96.1 | Very high | 15 Ų | 15 | 52.6 Ų | 52.6 | 9% | 0.092 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -52.4 | -42.8 | -176.2 | -53.5 | 0 | 0 | 0 | 0 | 112.5 | L477 E478 V483 L484 V485 F514 E517 | L477-T481 PolarHBondContact O-N 3.27Å; L477-T481 PolarHBondContact O-OG1 3.1Å; E478-T481 WeakPolarHBondContact CA-OG1 3.28Å; E478-T481 PolarHBondContact O-N 3.04Å; E478-T481 PolarHBondContact O-OG1 3.47Å; T481-V483 PolarHBondContact O-N 3.06Å; T481-L484 PolarHBondContact O-N 3.38Å; T481-V485 HydrophobicContact CG2-CG2 4.21Å; T481-V485 WeakPolarHBondContact O-CB 3.27Å; T481-V485 WeakPolarHBondContact O-CG2 3.32Å; T481-V485 PolarHBondContact O-N 3.11Å; T481-F514 HydrophobicContact CG2-CB 4.06Å; T481-F514 HydrophobicContact CG2-CD1 3.98Å; T481-F514 HydrophobicContact CG2-CD2 3.66Å; T481-F514 HydrophobicContact CG2-CE1 4.38Å; T481-F514 HydrophobicContact CG2-CE2 4.09Å; T481-F514 HydrophobicContact CG2-CG 3.61Å; T481-F514 HydrophobicContact CG2-CZ 4.43Å; T481-F514 WeakPolarHBondContact OG1-CE1 3.39Å; T481-F514 WeakPolarHBondContact OG1-CE2 3.49Å; T481-F514 WeakPolarHBondContact OG1-CZ 3.33Å; T481-E517 HydrophobicContact CG2-CB 4.25Å; T481-E517 HydrophobicContact CG2-CG 3.89Å |
| 482 | A | 96.8 | Very high | 96.2 | Very high | 80 Ų | 80 | 49.6 Ų | 49.6 | 66% | 0.661 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -61.1 | -38 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | H480 E486 | H480-A482 VanDerWaalsContact C-N 3.27Å; H480-A482 PolarHBondContact O-N 3.16Å; H480-A482 VanDerWaalsContact O-N 3.15Å; A482-E486 WeakPolarHBondContact O-CB 3.43Å; A482-E486 PolarHBondContact O-N 3.13Å; A482-E486 VanDerWaalsContact O-N 3.17Å |
| 483 | V | 97.4 | Very high | 96.2 | Very high | 56 Ų | 56 | 54.9 Ų | 54.9 | 34% | 0.339 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -80.7 | -26.8 | 177.4 | 66.2 | 0 | 0 | 0 | 0 | 112.1 | T447 H480 T481 S487 | T447-V483 HydrophobicContact CG2-CG2 4.25Å; H480-V483 HydrophobicContact CB-CG1 3.87Å; H480-V483 WeakPolarHBondContact O-CG1 3.28Å; H480-V483 PolarHBondContact O-N 3.41Å; T481-V483 PolarHBondContact O-N 3.06Å; V483-S487 WeakPolarHBondContact O-CB 3.41Å; V483-S487 PolarHBondContact O-N 3.46Å; V483-S487 PolarHBondContact O-OG 3.13Å |
| 484 | L | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.9 | -52.4 | 170.3 | -68.7 | 166.2 | 0 | 0 | 0 | 110.7 | I443 T447 L465 L469 L477 H480 T481 E486 S487 I488 L510 | I443-L484 HydrophobicContact CG2-CD2 3.86Å; I443-L484 HydrophobicContact CG2-CG 4.18Å; T447-L484 HydrophobicContact CG2-CD2 4.3Å; L465-L484 HydrophobicContact CD2-CD2 3.87Å; L469-L484 HydrophobicContact CD2-CD1 4.33Å; L477-L484 HydrophobicContact CB-CD1 4.38Å; H480-L484 HydrophobicContact CB-CD1 4.31Å; H480-L484 HydrophobicContact CB-CG 4.48Å; H480-L484 WeakPolarHBondContact O-CG 3.19Å; H480-L484 PolarHBondContact O-N 2.93Å; T481-L484 PolarHBondContact O-N 3.38Å; L484-E486 PolarHBondContact O-N 3.45Å; L484-S487 PolarHBondContact O-N 3.36Å; L484-I488 WeakPolarHBondContact O-CD1 3.33Å; L484-I488 VanDerWaalsContact O-CG1 3.27Å; L484-I488 WeakPolarHBondContact O-CG1 3.27Å; L484-I488 PolarHBondContact O-N 2.94Å; L484-L510 HydrophobicContact CB-CD1 4.37Å |
| 485 | V | 97.8 | Very high | 96.4 | Very high | 19 Ų | 19 | 52 Ų | 52 | 12% | 0.115 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -52.1 | -52.9 | 175.4 | 169.1 | 0 | 0 | 0 | 0 | 111 | T481 S487 I488 K489 L510 E517 L521 | T481-V485 HydrophobicContact CG2-CG2 4.21Å; T481-V485 WeakPolarHBondContact O-CB 3.27Å; T481-V485 WeakPolarHBondContact O-CG2 3.32Å; T481-V485 PolarHBondContact O-N 3.11Å; V485-S487 PolarHBondContact O-N 2.88Å; V485-I488 PolarHBondContact O-N 3.07Å; V485-K489 VanDerWaalsContact O-CB 3.31Å; V485-K489 WeakPolarHBondContact O-CB 3.43Å; V485-K489 PolarHBondContact O-N 3.26Å; V485-L510 HydrophobicContact CG2-CD1 4.01Å; V485-L510 HydrophobicContact CG2-CD2 3.99Å; V485-E517 HydrophobicContact CG2-CB 3.97Å; V485-L521 HydrophobicContact CG1-CB 4.32Å; V485-L521 HydrophobicContact CG1-CD1 4.5Å; V485-L521 HydrophobicContact CG1-CD2 4.42Å |
| 486 | E | 97.3 | Very high | 96.5 | Very high | 75 Ų | 75 | 47.6 Ų | 47.6 | 35% | 0.35 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -72.1 | -29.6 | -176.5 | 177.7 | 53.5 | -157.1 | 0 | 0 | 112.9 | A482 L484 K490 | A482-E486 WeakPolarHBondContact O-CB 3.43Å; A482-E486 PolarHBondContact O-N 3.13Å; A482-E486 VanDerWaalsContact O-N 3.17Å; L484-E486 PolarHBondContact O-N 3.45Å; E486-K490 VanDerWaalsContact CG-NZ 3.31Å; E486-K490 WeakPolarHBondContact O-CG 3.11Å; E486-K490 PolarHBondContact O-N 2.92Å; E486-K490 IonicContact OE1-NZ 2.77Å; E486-K490 PolarHBondContact OE1-NZ 3.41Å |
| 487 | S | 97.9 | Very high | 96.4 | Very high | 7 Ų | 7 | 49.4 Ų | 49.4 | 5% | 0.049 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65 | -47.1 | 170 | -64.1 | 0 | 0 | 0 | 0 | 111.5 | T447 Y462 V483 L484 V485 K489 K490 G491 | T447-S487 WeakPolarHBondContact CB-OG 3.4Å; T447-S487 WeakPolarHBondContact CG2-OG 3.46Å; Y462-S487 WeakPolarHBondContact CE1-O 2.96Å; V483-S487 WeakPolarHBondContact O-CB 3.41Å; V483-S487 PolarHBondContact O-N 3.46Å; V483-S487 PolarHBondContact O-OG 3.13Å; L484-S487 PolarHBondContact O-N 3.36Å; V485-S487 PolarHBondContact O-N 2.88Å; S487-K489 VanDerWaalsContact C-N 3.34Å; S487-K489 PolarHBondContact O-N 2.83Å; S487-K490 WeakPolarHBondContact O-CB 3.29Å; S487-K490 PolarHBondContact O-N 3.32Å; S487-K490 VanDerWaalsContact O-N 3.17Å; S487-G491 PolarHBondContact O-N 3.21Å |
| 488 | I | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 177.5 | -65.6 | 162 | 0 | 0 | 0 | 110.4 | L469 L484 V485 K490 G491 I492 T506 L510 L521 | L469-I488 HydrophobicContact CD1-CD1 4.11Å; L484-I488 WeakPolarHBondContact O-CD1 3.33Å; L484-I488 VanDerWaalsContact O-CG1 3.27Å; L484-I488 WeakPolarHBondContact O-CG1 3.27Å; L484-I488 PolarHBondContact O-N 2.94Å; V485-I488 PolarHBondContact O-N 3.07Å; I488-K490 VanDerWaalsContact C-N 3.25Å; I488-K490 PolarHBondContact O-N 2.96Å; I488-G491 PolarHBondContact O-N 3.21Å; I488-G491 VanDerWaalsContact O-N 3.12Å; I488-I492 HydrophobicContact CG2-CD1 3.79Å; I488-I492 HydrophobicContact CG2-CG1 4.35Å; I488-I492 WeakPolarHBondContact O-CG1 3.39Å; I488-I492 PolarHBondContact O-N 3.22Å; I488-T506 HydrophobicContact CD1-CG2 3.71Å; I488-T506 HydrophobicContact CG1-CG2 3.63Å; I488-L510 HydrophobicContact CD1-CB 3.73Å; I488-L510 HydrophobicContact CD1-CD1 4.21Å; I488-L510 HydrophobicContact CD1-CD2 3.93Å; I488-L510 HydrophobicContact CD1-CG 4.16Å; I488-L521 HydrophobicContact CB-CD2 4.37Å; I488-L521 HydrophobicContact CG2-CD2 3.97Å |
| 489 | K | 97.2 | Very high | 96.3 | Very high | 45 Ų | 45 | 48.2 Ų | 48.2 | 20% | 0.196 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.3 | -28.8 | 174.7 | -163.1 | 173.2 | 179.6 | 163.9 | 0 | 113.4 | V485 S487 R493 L521 S524 L525 | V485-K489 VanDerWaalsContact O-CB 3.31Å; V485-K489 WeakPolarHBondContact O-CB 3.43Å; V485-K489 PolarHBondContact O-N 3.26Å; S487-K489 VanDerWaalsContact C-N 3.34Å; S487-K489 PolarHBondContact O-N 2.83Å; K489-R493 PolarHBondContact O-NE 2.95Å; K489-R493 PolarHBondContact O-NH2 3.35Å; K489-L521 HydrophobicContact CB-CD1 3.54Å; K489-L521 HydrophobicContact CD-CD1 3.7Å; K489-L521 HydrophobicContact CG-CD1 3.53Å; K489-S524 WeakPolarHBondContact CE-OG 3.46Å; K489-S524 VanDerWaalsContact NZ-CB 3.33Å; K489-S524 PolarHBondContact NZ-OG 3.26Å; K489-L525 HydrophobicContact CG-CD2 4.36Å |
| 490 | K | 96.2 | Very high | 96.3 | Very high | 84 Ų | 84 | 43.1 Ų | 43.1 | 37% | 0.365 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -74.8 | -48.1 | 168.8 | -74.4 | 175 | 170.7 | 82.4 | 0 | 111.1 | T451 E486 S487 I488 I492 R493 D494 | T451-K490 HydrophobicContact CG2-CD 3.7Å; E486-K490 VanDerWaalsContact CG-NZ 3.31Å; E486-K490 WeakPolarHBondContact O-CG 3.11Å; E486-K490 PolarHBondContact O-N 2.92Å; E486-K490 IonicContact OE1-NZ 2.77Å; E486-K490 PolarHBondContact OE1-NZ 3.41Å; S487-K490 WeakPolarHBondContact O-CB 3.29Å; S487-K490 PolarHBondContact O-N 3.32Å; S487-K490 VanDerWaalsContact O-N 3.17Å; I488-K490 VanDerWaalsContact C-N 3.25Å; I488-K490 PolarHBondContact O-N 2.96Å; K490-I492 PolarHBondContact O-N 3.34Å; K490-R493 CarbonylContact O-C 3.43Å; K490-R493 VanDerWaalsContact O-C 3.27Å; K490-R493 WeakPolarHBondContact O-CA 3.46Å; K490-R493 PolarHBondContact O-N 3.33Å; K490-D494 PolarHBondContact O-N 3.47Å; K490-D494 VanDerWaalsContact O-N 3.14Å |
| 491 | G | 96.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.9 | -39.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y462 S487 I488 R493 D494 R500 | Y462-G491 VanDerWaalsContact OH-CA 3.27Å; Y462-G491 WeakPolarHBondContact OH-CA 3.46Å; Y462-G491 PolarHBondContact OH-N 2.96Å; S487-G491 PolarHBondContact O-N 3.21Å; I488-G491 PolarHBondContact O-N 3.21Å; I488-G491 VanDerWaalsContact O-N 3.12Å; G491-R493 PolarHBondContact O-N 3.41Å; G491-R493 VanDerWaalsContact O-N 3.12Å; G491-D494 WeakPolarHBondContact O-CB 3.46Å; G491-D494 PolarHBondContact O-N 3.33Å; G491-D494 VanDerWaalsContact O-N 3.08Å; G491-R500 VanDerWaalsContact O-CG 3.29Å; G491-R500 WeakPolarHBondContact O-CG 3.4Å |
| 492 | I | 96.1 | Very high | 96 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -23.4 | 174.2 | -68.5 | 165.2 | 0 | 0 | 0 | 111.9 | I488 K490 R500 A503 R504 L525 Y529 L533 | I488-I492 HydrophobicContact CG2-CD1 3.79Å; I488-I492 HydrophobicContact CG2-CG1 4.35Å; I488-I492 WeakPolarHBondContact O-CG1 3.39Å; I488-I492 PolarHBondContact O-N 3.22Å; K490-I492 PolarHBondContact O-N 3.34Å; I492-R500 WeakPolarHBondContact O-CD 3.45Å; I492-R500 WeakPolarHBondContact O-CG 3.4Å; I492-A503 HydrophobicContact CG1-CB 4.31Å; I492-R504 HydrophobicContact CG1-CG 4.3Å; I492-L525 HydrophobicContact CD1-CD1 4.02Å; I492-L525 HydrophobicContact CG2-CD1 4.26Å; I492-L525 HydrophobicContact CG2-CD2 4.36Å; I492-Y529 HydrophobicContact CG2-CD1 3.83Å; I492-Y529 HydrophobicContact CG2-CG 4.15Å; I492-Y529 WeakPolarHBondContact O-CE1 3.42Å; I492-L533 HydrophobicContact CD1-CD1 4.31Å; I492-L533 HydrophobicContact CD1-CD2 4.21Å |
| 493 | R | 95.3 | Very high | 96 | Very high | 118 Ų | 118 | 42.5 Ų | 42.5 | 45% | 0.445 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 17.8 | 179.7 | -61.1 | 179.8 | -67.4 | 164.3 | 6.3 | 113 | K489 K490 G491 Y529 | K489-R493 PolarHBondContact O-NE 2.95Å; K489-R493 PolarHBondContact O-NH2 3.35Å; K490-R493 CarbonylContact O-C 3.43Å; K490-R493 VanDerWaalsContact O-C 3.27Å; K490-R493 WeakPolarHBondContact O-CA 3.46Å; K490-R493 PolarHBondContact O-N 3.33Å; G491-R493 PolarHBondContact O-N 3.41Å; G491-R493 VanDerWaalsContact O-N 3.12Å; R493-Y529 HydrophobicContact CG-CE1 4.18Å; R493-Y529 HydrophobicContact CG-CE2 4.15Å |
| 494 | D | 97.2 | Very high | 95.8 | Very high | 20 Ų | 20 | 41.6 Ų | 41.6 | 11% | 0.107 | 21% | 0.213 | C | C | . | . | trans | -63.9 | 148.5 | 175 | -156 | -58.7 | 0 | 0 | 0 | 110.9 | R458 K490 G491 D496 A499 R500 | R458-D494 WeakPolarHBondContact CD-OD2 3.42Å; R458-D494 IonicContact CZ-OD1 3.71Å; R458-D494 IonicContact CZ-OD2 3.12Å; R458-D494 IonicContact NE-OD1 2.66Å; R458-D494 PolarHBondContact NE-OD1 3.23Å; R458-D494 IonicContact NE-OD2 3.81Å; R458-D494 PolarHBondContact NE-OD2 3.23Å; R458-D494 IonicContact NH2-OD1 3.3Å; R458-D494 PolarHBondContact NH2-OD1 2.94Å; R458-D494 IonicContact NH2-OD2 2.77Å; K490-D494 PolarHBondContact O-N 3.47Å; K490-D494 VanDerWaalsContact O-N 3.14Å; G491-D494 WeakPolarHBondContact O-CB 3.46Å; G491-D494 PolarHBondContact O-N 3.33Å; G491-D494 VanDerWaalsContact O-N 3.08Å; D494-D496 PolarHBondContact O-N 2.65Å; D494-D496 PolarHBondContact OD1-N 3.36Å; D494-A499 HydrophobicContact CB-CB 3.94Å; D494-R500 HydrophobicContact CB-CG 4.05Å; D494-R500 WeakPolarHBondContact O-CD 3.32Å; D494-R500 WeakPolarHBondContact O-CG 3.36Å; D494-R500 PolarHBondContact O-NE 2.96Å; D494-R500 VanDerWaalsContact O-NE 3.11Å | ||
| 495 | A | 95.1 | Very high | 95.6 | Very high | 100 Ų | 100 | 46.2 Ų | 46.2 | 83% | 0.826 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -66 | -29.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 496 | D | 95.5 | Very high | 95.5 | Very high | 23 Ų | 23 | 45.3 Ų | 45.3 | 12% | 0.123 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -78.7 | 145.8 | 179.8 | -179.7 | 64.2 | 0 | 0 | 0 | 112.8 | V455 R459 D494 E498 A499 R500 | V455-D496 HydrophobicContact CG1-CB 3.71Å; R459-D496 WeakPolarHBondContact CG-OD2 3.19Å; R459-D496 IonicContact CZ-OD1 3.59Å; R459-D496 IonicContact CZ-OD2 3.45Å; R459-D496 IonicContact NE-OD1 2.63Å; R459-D496 PolarHBondContact NE-OD1 3.24Å; R459-D496 IonicContact NE-OD2 3.85Å; R459-D496 PolarHBondContact NE-OD2 3.11Å; R459-D496 IonicContact NH2-OD1 3.3Å; R459-D496 PolarHBondContact NH2-OD1 2.73Å; R459-D496 IonicContact NH2-OD2 2.7Å; D494-D496 PolarHBondContact O-N 2.65Å; D494-D496 PolarHBondContact OD1-N 3.36Å; D496-E498 PolarHBondContact OD2-N 3.43Å; D496-A499 HydrophobicContact CB-CB 3.99Å; D496-A499 PolarHBondContact OD2-N 2.88Å; D496-R500 WeakPolarHBondContact O-CG 3.25Å; D496-R500 PolarHBondContact O-N 3.44Å; D496-R500 PolarHBondContact O-NE 2.75Å; D496-R500 VanDerWaalsContact O-NE 3.12Å |
| 497 | S | 93.9 | Very high | 95.5 | Very high | 53 Ų | 53 | 41.7 Ų | 41.7 | 37% | 0.371 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -71.5 | -44.6 | 178.9 | 51.8 | 0 | 0 | 0 | 0 | 112.5 | R500 V501 | S497-R500 WeakPolarHBondContact O-CB 3.44Å; S497-R500 PolarHBondContact O-N 2.92Å; S497-V501 WeakPolarHBondContact O-CG2 3.4Å; S497-V501 PolarHBondContact O-N 3.06Å |
| 498 | E | 92.9 | Very high | 95.2 | Very high | 88 Ų | 88 | 44.2 Ų | 44.2 | 41% | 0.411 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -75.1 | -39.6 | -172.9 | -47 | -48.2 | 107.1 | 0 | 0 | 110.9 | R459 D496 R500 V501 E502 | R459-E498 HydrophobicContact CG-CB 4.07Å; D496-E498 PolarHBondContact OD2-N 3.43Å; E498-R500 PolarHBondContact O-N 2.93Å; E498-V501 WeakPolarHBondContact O-CA 3.35Å; E498-V501 WeakPolarHBondContact O-CB 3.44Å; E498-V501 PolarHBondContact O-N 3.4Å; E498-E502 PolarHBondContact O-N 3.38Å |
| 499 | A | 94.8 | Very high | 95 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.9 | -37.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R459 Y462 D494 D496 A503 | R459-A499 HydrophobicContact CG-CB 4.13Å; Y462-A499 HydrophobicContact CD2-CB 4.06Å; Y462-A499 HydrophobicContact CE2-CB 4.19Å; D494-A499 HydrophobicContact CB-CB 3.94Å; D496-A499 HydrophobicContact CB-CB 3.99Å; D496-A499 PolarHBondContact OD2-N 2.88Å; A499-A503 VanDerWaalsContact O-CB 3.23Å; A499-A503 WeakPolarHBondContact O-CB 3.41Å; A499-A503 PolarHBondContact O-N 2.96Å |
| 500 | R | 95.6 | Very high | 95 | Very high | 86 Ų | 86 | 42.3 Ų | 42.3 | 33% | 0.325 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.6 | -34.8 | 171.2 | -76.4 | -174.8 | -70.4 | 128.8 | -1.5 | 113.2 | G491 I492 D494 D496 S497 E498 R504 | G491-R500 VanDerWaalsContact O-CG 3.29Å; G491-R500 WeakPolarHBondContact O-CG 3.4Å; I492-R500 WeakPolarHBondContact O-CD 3.45Å; I492-R500 WeakPolarHBondContact O-CG 3.4Å; D494-R500 HydrophobicContact CB-CG 4.05Å; D494-R500 WeakPolarHBondContact O-CD 3.32Å; D494-R500 WeakPolarHBondContact O-CG 3.36Å; D494-R500 PolarHBondContact O-NE 2.96Å; D494-R500 VanDerWaalsContact O-NE 3.11Å; D496-R500 WeakPolarHBondContact O-CG 3.25Å; D496-R500 PolarHBondContact O-N 3.44Å; D496-R500 PolarHBondContact O-NE 2.75Å; D496-R500 VanDerWaalsContact O-NE 3.12Å; S497-R500 WeakPolarHBondContact O-CB 3.44Å; S497-R500 PolarHBondContact O-N 2.92Å; E498-R500 PolarHBondContact O-N 2.93Å; R500-R504 WeakPolarHBondContact O-CB 3.37Å; R500-R504 VanDerWaalsContact O-CG 3.27Å; R500-R504 WeakPolarHBondContact O-CG 3.46Å; R500-R504 PolarHBondContact O-N 2.89Å; R500-R504 VanDerWaalsContact O-N 3.08Å; R500-R504 PolarHBondContact O-NH1 2.81Å |
| 501 | V | 93.3 | Very high | 94.9 | Very high | 67 Ų | 67 | 41.8 Ų | 41.8 | 41% | 0.406 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.5 | -54 | 175.6 | 170.6 | 0 | 0 | 0 | 0 | 109.9 | S497 E498 A503 R504 K505 | S497-V501 WeakPolarHBondContact O-CG2 3.4Å; S497-V501 PolarHBondContact O-N 3.06Å; E498-V501 WeakPolarHBondContact O-CA 3.35Å; E498-V501 WeakPolarHBondContact O-CB 3.44Å; E498-V501 PolarHBondContact O-N 3.4Å; V501-A503 PolarHBondContact O-N 3.49Å; V501-R504 PolarHBondContact O-N 3.22Å; V501-R504 VanDerWaalsContact O-N 3.15Å; V501-K505 PolarHBondContact O-N 3.35Å; V501-K505 VanDerWaalsContact O-N 3.09Å |
| 502 | E | 94.1 | Very high | 94.8 | Very high | 49 Ų | 49 | 48.1 Ų | 48.1 | 23% | 0.229 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.2 | -44 | 178.4 | -66.3 | -68.5 | 179.8 | 0 | 0 | 111.6 | E498 R504 K505 T506 | E498-E502 PolarHBondContact O-N 3.38Å; E502-R504 VanDerWaalsContact C-N 3.33Å; E502-R504 PolarHBondContact O-N 2.86Å; E502-K505 WeakPolarHBondContact O-CA 3.32Å; E502-K505 WeakPolarHBondContact O-CB 3.3Å; E502-K505 PolarHBondContact O-N 2.86Å; E502-T506 PolarHBondContact O-N 3.02Å; E502-T506 PolarHBondContact O-OG1 3.06Å |
| 503 | A | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.1 | -32.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y462 I492 A499 V501 K505 Y507 | Y462-A503 HydrophobicContact CD1-CB 3.98Å; Y462-A503 HydrophobicContact CD2-CB 4.37Å; Y462-A503 HydrophobicContact CE1-CB 4.43Å; Y462-A503 HydrophobicContact CG-CB 3.98Å; I492-A503 HydrophobicContact CG1-CB 4.31Å; A499-A503 VanDerWaalsContact O-CB 3.23Å; A499-A503 WeakPolarHBondContact O-CB 3.41Å; A499-A503 PolarHBondContact O-N 2.96Å; V501-A503 PolarHBondContact O-N 3.49Å; A503-K505 VanDerWaalsContact C-N 3.33Å; A503-Y507 PolarHBondContact O-N 3.08Å; A503-Y507 VanDerWaalsContact O-N 3.14Å |
| 504 | R | 94.8 | Very high | 94.8 | Very high | 37 Ų | 37 | 45.4 Ų | 45.4 | 14% | 0.14 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -72.2 | -25.2 | 172 | -73.1 | -166.2 | -41.4 | -74.9 | 5.1 | 112.7 | I492 R500 V501 E502 T532 L533 C536 | I492-R504 HydrophobicContact CG1-CG 4.3Å; R500-R504 WeakPolarHBondContact O-CB 3.37Å; R500-R504 VanDerWaalsContact O-CG 3.27Å; R500-R504 WeakPolarHBondContact O-CG 3.46Å; R500-R504 PolarHBondContact O-N 2.89Å; R500-R504 VanDerWaalsContact O-N 3.08Å; R500-R504 PolarHBondContact O-NH1 2.81Å; V501-R504 PolarHBondContact O-N 3.22Å; V501-R504 VanDerWaalsContact O-N 3.15Å; E502-R504 VanDerWaalsContact C-N 3.33Å; E502-R504 PolarHBondContact O-N 2.86Å; R504-T532 WeakPolarHBondContact CD-O 3.49Å; R504-T532 PolarHBondContact NE-O 3.44Å; R504-L533 HydrophobicContact CB-CD2 3.87Å; R504-L533 HydrophobicContact CG-CD2 3.66Å; R504-L533 HydrophobicContact CG-CG 4.39Å; R504-C536 PolarHBondContact NE-SG 2.65Å; R504-C536 VanDerWaalsContact NE-SG 3.36Å |
| 505 | K | 93 | Very high | 94.6 | Very high | 97 Ų | 97 | 47.7 Ų | 47.7 | 42% | 0.422 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -72.8 | -50.4 | 169.8 | -162.6 | -167.5 | 169.9 | -154.6 | 0 | 110.6 | D466 V501 E502 A503 Y507 W508 | D466-K505 WeakPolarHBondContact OD1-CG 3.25Å; D466-K505 VanDerWaalsContact OD2-CD 3.31Å; D466-K505 WeakPolarHBondContact OD2-CD 3.31Å; D466-K505 WeakPolarHBondContact OD2-CE 2.9Å; D466-K505 IonicContact OD2-NZ 2.87Å; D466-K505 PolarHBondContact OD2-NZ 3.16Å; V501-K505 PolarHBondContact O-N 3.35Å; V501-K505 VanDerWaalsContact O-N 3.09Å; E502-K505 WeakPolarHBondContact O-CA 3.32Å; E502-K505 WeakPolarHBondContact O-CB 3.3Å; E502-K505 PolarHBondContact O-N 2.86Å; A503-K505 VanDerWaalsContact C-N 3.33Å; K505-Y507 PolarHBondContact O-N 3.38Å; K505-Y507 VanDerWaalsContact O-N 3.09Å; K505-W508 PolarHBondContact O-N 2.71Å |
| 506 | T | 95.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -50.6 | -37.3 | 176.5 | -44.6 | 0 | 0 | 0 | 0 | 112.7 | Y462 L465 D466 L469 I488 E502 W508 G509 L510 | Y462-T506 PolarHBondContact O-OG1 3.33Å; Y462-T506 VanDerWaalsContact O-OG1 3.14Å; L465-T506 HydrophobicContact CB-CG2 3.64Å; D466-T506 PolarHBondContact OD1-N 3.25Å; L469-T506 HydrophobicContact CD1-CG2 3.68Å; I488-T506 HydrophobicContact CD1-CG2 3.71Å; I488-T506 HydrophobicContact CG1-CG2 3.63Å; E502-T506 PolarHBondContact O-N 3.02Å; E502-T506 PolarHBondContact O-OG1 3.06Å; T506-W508 VanDerWaalsContact C-N 3.27Å; T506-W508 PolarHBondContact O-N 2.85Å; T506-G509 PolarHBondContact O-N 3.27Å; T506-L510 PolarHBondContact O-N 3.03Å |
| 507 | Y | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.1 | -36.8 | 175.6 | 170.2 | -92.6 | 0 | 0 | 0 | 113.9 | A503 K505 L510 R511 A518 L521 L533 | A503-Y507 PolarHBondContact O-N 3.08Å; A503-Y507 VanDerWaalsContact O-N 3.14Å; K505-Y507 PolarHBondContact O-N 3.38Å; K505-Y507 VanDerWaalsContact O-N 3.09Å; Y507-L510 WeakPolarHBondContact O-CB 3.33Å; Y507-L510 PolarHBondContact O-N 3.04Å; Y507-R511 PolarHBondContact O-N 3.44Å; Y507-R511 PolarHBondContact OH-NH1 3.21Å; Y507-R511 VanDerWaalsContact OH-NH1 3.13Å; Y507-A518 HydrophobicContact CE2-CB 4.07Å; Y507-A518 VanDerWaalsContact CE2-O 3.3Å; Y507-A518 WeakPolarHBondContact CE2-O 3.43Å; Y507-A518 PolarHBondContact OH-O 2.92Å; Y507-L521 HydrophobicContact CD2-CD2 3.88Å; Y507-L521 HydrophobicContact CD2-CG 4.42Å; Y507-L521 HydrophobicContact CE2-CD2 4.18Å; Y507-L521 HydrophobicContact CE2-CG 4.34Å; Y507-L533 HydrophobicContact CD1-CD1 4.49Å; Y507-L533 HydrophobicContact CD1-CD2 3.8Å; Y507-L533 HydrophobicContact CD2-CD1 4.46Å; Y507-L533 HydrophobicContact CG-CD1 4.46Å; Y507-L533 HydrophobicContact CG-CD2 3.81Å |
| 508 | W | 93.4 | Very high | 94.8 | Very high | 60 Ų | 60 | 46.5 Ų | 46.5 | 23% | 0.227 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -76.2 | -34.9 | -179.7 | -64.6 | 103.5 | 0 | 0 | 0 | 111.9 | K505 T506 L510 R511 N512 L537 | K505-W508 PolarHBondContact O-N 2.71Å; T506-W508 VanDerWaalsContact C-N 3.27Å; T506-W508 PolarHBondContact O-N 2.85Å; W508-L510 VanDerWaalsContact C-N 3.33Å; W508-L510 PolarHBondContact O-N 2.84Å; W508-R511 HydrophobicContact CE3-CB 4.49Å; W508-R511 VanDerWaalsContact CZ3-CD 3.5Å; W508-R511 WeakPolarHBondContact O-CB 3.49Å; W508-R511 PolarHBondContact O-N 3.05Å; W508-N512 VanDerWaalsContact O-CG 3.23Å; W508-N512 PolarHBondContact O-N 2.98Å; W508-N512 PolarHBondContact O-OD1 3.12Å; W508-L537 HydrophobicContact CD2-CD1 4.36Å; W508-L537 HydrophobicContact CE3-CD1 4.25Å; W508-L537 HydrophobicContact CH2-CB 4.42Å; W508-L537 HydrophobicContact CH2-CD1 4.01Å; W508-L537 HydrophobicContact CH2-CD2 4.23Å; W508-L537 HydrophobicContact CH2-CG 4.46Å; W508-L537 HydrophobicContact CZ2-CB 4.06Å; W508-L537 HydrophobicContact CZ2-CD1 4.11Å; W508-L537 HydrophobicContact CZ3-CD1 4.07Å |
| 509 | G | 92.6 | Very high | 94.9 | Very high | 5 Ų | 5 | 45 Ų | 45 | 5% | 0.052 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.8 | -43.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T506 R511 N512 H513 | T506-G509 PolarHBondContact O-N 3.27Å; G509-R511 VanDerWaalsContact C-N 3.34Å; G509-R511 PolarHBondContact O-N 2.87Å; G509-N512 PolarHBondContact O-N 3.4Å; G509-H513 PolarHBondContact O-CD2 3.38Å; G509-H513 PolarHBondContact O-N 2.88Å |
| 510 | L | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 173.1 | 178.9 | 80.3 | 0 | 0 | 0 | 111.6 | L469 L484 V485 I488 T506 Y507 W508 N512 H513 F514 A518 L521 | L469-L510 HydrophobicContact CD1-CB 4.27Å; L484-L510 HydrophobicContact CB-CD1 4.37Å; V485-L510 HydrophobicContact CG2-CD1 4.01Å; V485-L510 HydrophobicContact CG2-CD2 3.99Å; I488-L510 HydrophobicContact CD1-CB 3.73Å; I488-L510 HydrophobicContact CD1-CD1 4.21Å; I488-L510 HydrophobicContact CD1-CD2 3.93Å; I488-L510 HydrophobicContact CD1-CG 4.16Å; T506-L510 PolarHBondContact O-N 3.03Å; Y507-L510 WeakPolarHBondContact O-CB 3.33Å; Y507-L510 PolarHBondContact O-N 3.04Å; W508-L510 VanDerWaalsContact C-N 3.33Å; W508-L510 PolarHBondContact O-N 2.84Å; L510-N512 VanDerWaalsContact C-N 3.3Å; L510-N512 PolarHBondContact O-N 3.5Å; L510-H513 PolarHBondContact O-N 2.75Å; L510-F514 HydrophobicContact CD1-CD2 4.16Å; L510-F514 PolarHBondContact O-N 2.88Å; L510-A518 HydrophobicContact CD2-CB 4.13Å; L510-A518 HydrophobicContact CG-CB 4.31Å; L510-L521 HydrophobicContact CD2-CD2 3.74Å |
| 511 | R | 94.3 | Very high | 95.1 | Very high | 73 Ų | 73 | 43.7 Ų | 43.7 | 28% | 0.275 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.1 | -37.5 | 178.5 | -167.2 | -173.8 | -172.6 | 81.8 | 19.2 | 112.6 | Y507 W508 G509 H513 P515 A518 D519 | Y507-R511 PolarHBondContact O-N 3.44Å; Y507-R511 PolarHBondContact OH-NH1 3.21Å; Y507-R511 VanDerWaalsContact OH-NH1 3.13Å; W508-R511 HydrophobicContact CE3-CB 4.49Å; W508-R511 VanDerWaalsContact CZ3-CD 3.5Å; W508-R511 WeakPolarHBondContact O-CB 3.49Å; W508-R511 PolarHBondContact O-N 3.05Å; G509-R511 VanDerWaalsContact C-N 3.34Å; G509-R511 PolarHBondContact O-N 2.87Å; R511-H513 VanDerWaalsContact C-N 3.33Å; R511-H513 PolarHBondContact O-N 2.91Å; R511-P515 WeakPolarHBondContact O-CA 3.27Å; R511-P515 WeakPolarHBondContact O-CD 3.42Å; R511-A518 HydrophobicContact CB-CB 3.76Å; R511-A518 HydrophobicContact CG-CB 4Å; R511-D519 IonicContact CZ-OD1 3.12Å; R511-D519 IonicContact CZ-OD2 3.85Å; R511-D519 IonicContact NH1-OD1 2.7Å; R511-D519 PolarHBondContact NH1-OD1 2.75Å; R511-D519 IonicContact NH1-OD2 2.71Å; R511-D519 VanDerWaalsContact NH2-CG 3.26Å; R511-D519 IonicContact NH2-OD1 3.68Å; R511-D519 PolarHBondContact NH2-OD1 3.5Å; R511-D519 IonicContact NH2-OD2 3.81Å; R511-D519 PolarHBondContact NH2-OD2 3Å |
| 512 | N | 94.1 | Very high | 95.2 | Very high | 132 Ų | 132 | 42.4 Ų | 42.4 | 71% | 0.706 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -65.9 | -33.8 | -179.9 | -65.9 | -11.5 | 0 | 0 | 0 | 112.6 | W508 G509 L510 | W508-N512 VanDerWaalsContact O-CG 3.23Å; W508-N512 PolarHBondContact O-N 2.98Å; W508-N512 PolarHBondContact O-OD1 3.12Å; G509-N512 PolarHBondContact O-N 3.4Å; L510-N512 VanDerWaalsContact C-N 3.3Å; L510-N512 PolarHBondContact O-N 3.5Å |
| 513 | H | 94.1 | Very high | 95.3 | Very high | 36 Ų | 36 | 45.8 Ų | 45.8 | 17% | 0.167 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -91.2 | -38.9 | 177.6 | -70 | -71.8 | 0 | 0 | 0 | 113.8 | L469 W472 T474 L477 G509 L510 R511 | L469-H513 PolarHBondContact O-NE2 3.49Å; W472-H513 PolarHBondContact O-CE1 2.82Å; W472-H513 PolarHBondContact O-NE2 3.48Å; T474-H513 HydrophobicContact CG2-CB 4.28Å; T474-H513 PolarHBondContact OG1-ND1 3.32Å; L477-H513 HydrophobicContact CD1-CB 4.34Å; G509-H513 PolarHBondContact O-CD2 3.38Å; G509-H513 PolarHBondContact O-N 2.88Å; L510-H513 PolarHBondContact O-N 2.75Å; R511-H513 VanDerWaalsContact C-N 3.33Å; R511-H513 PolarHBondContact O-N 2.91Å |
| 514 | F | 96.8 | Very high | 95.3 | Very high | 27 Ų | 27 | 48.5 Ų | 48.5 | 12% | 0.118 | 26% | 0.264 | C | S | . | . | trans | -136.5 | 68.6 | -170 | -54.9 | -70.9 | 0 | 0 | 0 | 111 | T474 L477 E478 T481 L510 G516 E517 A518 | T474-F514 HydrophobicContact CG2-CD1 4.45Å; T474-F514 HydrophobicContact CG2-CE1 3.65Å; T474-F514 HydrophobicContact CG2-CZ 3.7Å; L477-F514 HydrophobicContact CB-CE2 3.72Å; L477-F514 HydrophobicContact CB-CZ 3.8Å; L477-F514 HydrophobicContact CD1-CE2 4.37Å; E478-F514 HydrophobicContact CG-CE1 3.87Å; E478-F514 HydrophobicContact CG-CZ 4.08Å; T481-F514 HydrophobicContact CG2-CB 4.06Å; T481-F514 HydrophobicContact CG2-CD1 3.98Å; T481-F514 HydrophobicContact CG2-CD2 3.66Å; T481-F514 HydrophobicContact CG2-CE1 4.38Å; T481-F514 HydrophobicContact CG2-CE2 4.09Å; T481-F514 HydrophobicContact CG2-CG 3.61Å; T481-F514 HydrophobicContact CG2-CZ 4.43Å; T481-F514 WeakPolarHBondContact OG1-CE1 3.39Å; T481-F514 WeakPolarHBondContact OG1-CE2 3.49Å; T481-F514 WeakPolarHBondContact OG1-CZ 3.33Å; L510-F514 HydrophobicContact CD1-CD2 4.16Å; L510-F514 PolarHBondContact O-N 2.88Å; F514-G516 VanDerWaalsContact C-N 3.34Å; F514-G516 PolarHBondContact O-N 2.9Å; F514-E517 HydrophobicContact CB-CB 3.99Å; F514-E517 HydrophobicContact CB-CG 4.28Å; F514-E517 PolarHBondContact O-N 2.94Å; F514-E517 VanDerWaalsContact O-N 3.17Å; F514-A518 PolarHBondContact O-N 3.29Å | ||
| 515 | P | 93.9 | Very high | 95.3 | Very high | 69 Ų | 69 | 47.4 Ų | 47.4 | 45% | 0.448 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.7 | -41.4 | -172.6 | 20.6 | -32.3 | 0 | 0 | 0 | 113.1 | R511 E517 A518 D519 | R511-P515 WeakPolarHBondContact O-CA 3.27Å; R511-P515 WeakPolarHBondContact O-CD 3.42Å; P515-E517 PolarHBondContact O-N 2.6Å; P515-A518 PolarHBondContact O-N 2.82Å; P515-D519 WeakPolarHBondContact O-CB 3.34Å; P515-D519 PolarHBondContact O-N 3.41Å |
| 516 | G | 96.2 | Very high | 95.3 | Very high | 55 Ų | 55 | 48.8 Ų | 48.8 | 57% | 0.567 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -62.9 | -39.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | F514 A520 | F514-G516 VanDerWaalsContact C-N 3.34Å; F514-G516 PolarHBondContact O-N 2.9Å; G516-A520 VanDerWaalsContact O-CB 3.28Å; G516-A520 WeakPolarHBondContact O-CB 3.36Å; G516-A520 PolarHBondContact O-N 3.23Å |
| 517 | E | 97.1 | Very high | 95.1 | Very high | 96 Ų | 96 | 52.5 Ų | 52.5 | 45% | 0.449 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -71.4 | -35.4 | 175.5 | -67.6 | -68.6 | 155.6 | 0 | 0 | 111.6 | T481 V485 F514 P515 L521 | T481-E517 HydrophobicContact CG2-CB 4.25Å; T481-E517 HydrophobicContact CG2-CG 3.89Å; V485-E517 HydrophobicContact CG2-CB 3.97Å; F514-E517 HydrophobicContact CB-CB 3.99Å; F514-E517 HydrophobicContact CB-CG 4.28Å; F514-E517 PolarHBondContact O-N 2.94Å; F514-E517 VanDerWaalsContact O-N 3.17Å; P515-E517 PolarHBondContact O-N 2.6Å; E517-L521 WeakPolarHBondContact O-CB 3.44Å; E517-L521 PolarHBondContact O-N 3.45Å |
| 518 | A | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.3 | -35.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y507 L510 R511 F514 P515 Y522 | Y507-A518 HydrophobicContact CE2-CB 4.07Å; Y507-A518 VanDerWaalsContact CE2-O 3.3Å; Y507-A518 WeakPolarHBondContact CE2-O 3.43Å; Y507-A518 PolarHBondContact OH-O 2.92Å; L510-A518 HydrophobicContact CD2-CB 4.13Å; L510-A518 HydrophobicContact CG-CB 4.31Å; R511-A518 HydrophobicContact CB-CB 3.76Å; R511-A518 HydrophobicContact CG-CB 4Å; F514-A518 PolarHBondContact O-N 3.29Å; P515-A518 PolarHBondContact O-N 2.82Å; A518-Y522 WeakPolarHBondContact O-CB 3.43Å; A518-Y522 PolarHBondContact O-N 3.31Å |
| 519 | D | 95.2 | Very high | 94.8 | Very high | 55 Ų | 55 | 54.9 Ų | 54.9 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -73.8 | -38.7 | 173.4 | -77.5 | -38.6 | 0 | 0 | 0 | 111.6 | R511 P515 L521 Y522 N523 | R511-D519 IonicContact CZ-OD1 3.12Å; R511-D519 IonicContact CZ-OD2 3.85Å; R511-D519 IonicContact NH1-OD1 2.7Å; R511-D519 PolarHBondContact NH1-OD1 2.75Å; R511-D519 IonicContact NH1-OD2 2.71Å; R511-D519 VanDerWaalsContact NH2-CG 3.26Å; R511-D519 IonicContact NH2-OD1 3.68Å; R511-D519 PolarHBondContact NH2-OD1 3.5Å; R511-D519 IonicContact NH2-OD2 3.81Å; R511-D519 PolarHBondContact NH2-OD2 3Å; P515-D519 WeakPolarHBondContact O-CB 3.34Å; P515-D519 PolarHBondContact O-N 3.41Å; D519-L521 VanDerWaalsContact C-N 3.34Å; D519-L521 PolarHBondContact O-N 2.93Å; D519-Y522 PolarHBondContact O-N 2.95Å; D519-N523 WeakPolarHBondContact O-CB 3.35Å; D519-N523 VanDerWaalsContact O-CG 3.28Å; D519-N523 PolarHBondContact O-N 3.12Å; D519-N523 PolarHBondContact O-ND2 2.97Å |
| 520 | A | 97.4 | Very high | 94.7 | Very high | 56 Ų | 56 | 56.2 Ų | 56.2 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61 | -42.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111.8 | G516 S524 | G516-A520 VanDerWaalsContact O-CB 3.28Å; G516-A520 WeakPolarHBondContact O-CB 3.36Å; G516-A520 PolarHBondContact O-N 3.23Å; A520-S524 WeakPolarHBondContact O-CB 3.37Å; A520-S524 PolarHBondContact O-N 3.4Å; A520-S524 VanDerWaalsContact O-N 3.11Å; A520-S524 PolarHBondContact O-OG 2.93Å |
| 521 | L | 96.6 | Very high | 94.3 | Very high | 3 Ų | 3 | 64.4 Ų | 64.4 | 2% | 0.016 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.5 | -51.5 | 172.1 | 171.7 | 55.7 | 0 | 0 | 0 | 111.1 | V485 I488 K489 Y507 L510 E517 D519 N523 S524 L525 | V485-L521 HydrophobicContact CG1-CB 4.32Å; V485-L521 HydrophobicContact CG1-CD1 4.5Å; V485-L521 HydrophobicContact CG1-CD2 4.42Å; I488-L521 HydrophobicContact CB-CD2 4.37Å; I488-L521 HydrophobicContact CG2-CD2 3.97Å; K489-L521 HydrophobicContact CB-CD1 3.54Å; K489-L521 HydrophobicContact CD-CD1 3.7Å; K489-L521 HydrophobicContact CG-CD1 3.53Å; Y507-L521 HydrophobicContact CD2-CD2 3.88Å; Y507-L521 HydrophobicContact CD2-CG 4.42Å; Y507-L521 HydrophobicContact CE2-CD2 4.18Å; Y507-L521 HydrophobicContact CE2-CG 4.34Å; L510-L521 HydrophobicContact CD2-CD2 3.74Å; E517-L521 WeakPolarHBondContact O-CB 3.44Å; E517-L521 PolarHBondContact O-N 3.45Å; D519-L521 VanDerWaalsContact C-N 3.34Å; D519-L521 PolarHBondContact O-N 2.93Å; L521-N523 PolarHBondContact O-N 3.49Å; L521-S524 CarbonylContact O-C 3.55Å; L521-S524 WeakPolarHBondContact O-CA 3.15Å; L521-S524 PolarHBondContact O-N 2.85Å; L521-S524 PolarHBondContact O-OG 3.12Å; L521-L525 PolarHBondContact O-N 2.94Å |
| 522 | Y | 95.4 | Very high | 94 | Very high | 40 Ų | 40 | 63.6 Ų | 63.6 | 16% | 0.157 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58 | -46.2 | -179.9 | -178.6 | -90.8 | 0 | 0 | 0 | 112.7 | A518 D519 S524 L525 Q530 L533 Q534 | A518-Y522 WeakPolarHBondContact O-CB 3.43Å; A518-Y522 PolarHBondContact O-N 3.31Å; D519-Y522 PolarHBondContact O-N 2.95Å; Y522-S524 PolarHBondContact O-N 2.97Å; Y522-L525 PolarHBondContact O-N 3.41Å; Y522-Q530 HydrophobicContact CD1-CG 4.33Å; Y522-Q530 HydrophobicContact CD2-CG 4.32Å; Y522-Q530 HydrophobicContact CE1-CB 4.31Å; Y522-Q530 HydrophobicContact CE1-CG 3.95Å; Y522-Q530 HydrophobicContact CE2-CB 3.86Å; Y522-Q530 HydrophobicContact CE2-CG 3.95Å; Y522-Q530 HydrophobicContact CG-CG 4.49Å; Y522-Q530 PolarHBondContact O-NE2 3.34Å; Y522-L533 HydrophobicContact CD2-CD1 3.88Å; Y522-L533 HydrophobicContact CE2-CB 4.38Å; Y522-L533 HydrophobicContact CE2-CD1 4.32Å; Y522-Q534 HydrophobicContact CE2-CG 4.46Å; Y522-Q534 VanDerWaalsContact OH-CD 3.31Å; Y522-Q534 PolarHBondContact OH-NE2 2.95Å; Y522-Q534 VanDerWaalsContact OH-NE2 3.09Å |
| 523 | N | 95.9 | Very high | 93.6 | Very high | 121 Ų | 121 | 57.3 Ų | 57.3 | 65% | 0.647 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -67.1 | -18.5 | 177.1 | -69.5 | -35.5 | 0 | 0 | 0 | 113 | D519 L521 | D519-N523 WeakPolarHBondContact O-CB 3.35Å; D519-N523 VanDerWaalsContact O-CG 3.28Å; D519-N523 PolarHBondContact O-N 3.12Å; D519-N523 PolarHBondContact O-ND2 2.97Å; L521-N523 PolarHBondContact O-N 3.49Å |
| 524 | S | 96.4 | Very high | 93 | Very high | 56 Ų | 56 | 60.7 Ų | 60.7 | 39% | 0.392 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 8.6 | 175.9 | 80.8 | 0 | 0 | 0 | 0 | 114.8 | K489 A520 L521 Y522 | K489-S524 WeakPolarHBondContact CE-OG 3.46Å; K489-S524 VanDerWaalsContact NZ-CB 3.33Å; K489-S524 PolarHBondContact NZ-OG 3.26Å; A520-S524 WeakPolarHBondContact O-CB 3.37Å; A520-S524 PolarHBondContact O-N 3.4Å; A520-S524 VanDerWaalsContact O-N 3.11Å; A520-S524 PolarHBondContact O-OG 2.93Å; L521-S524 CarbonylContact O-C 3.55Å; L521-S524 WeakPolarHBondContact O-CA 3.15Å; L521-S524 PolarHBondContact O-N 2.85Å; L521-S524 PolarHBondContact O-OG 3.12Å; Y522-S524 PolarHBondContact O-N 2.97Å |
| 525 | L | 94.4 | Very high | 91.5 | Very high | 14 Ų | 14 | 62.5 Ų | 62.5 | 7% | 0.073 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -105.5 | 152.3 | 174.3 | -68.3 | 171.5 | 0 | 0 | 0 | 110.9 | K489 I492 L521 Y522 Q530 L533 | K489-L525 HydrophobicContact CG-CD2 4.36Å; I492-L525 HydrophobicContact CD1-CD1 4.02Å; I492-L525 HydrophobicContact CG2-CD1 4.26Å; I492-L525 HydrophobicContact CG2-CD2 4.36Å; L521-L525 PolarHBondContact O-N 2.94Å; Y522-L525 PolarHBondContact O-N 3.41Å; L525-Q530 HydrophobicContact CB-CG 4.22Å; L525-Q530 PolarHBondContact O-NE2 3.19Å; L525-L533 HydrophobicContact CD1-CD1 3.66Å |
| 526 | E | 93.6 | Very high | 89.8 | Confident | 127 Ų | 127 | 60.7 Ų | 60.7 | 59% | 0.593 | 34% | 0.337 | S | S | * | . | trans | -66 | 152.3 | 173.9 | -58 | 165.2 | -162 | 0 | 0 | 111.8 | S528 Y529 Q530 | E526-S528 WeakPolarHBondContact CB-OG 3.43Å; E526-S528 PolarHBondContact O-N 3.31Å; E526-S528 PolarHBondContact OE2-OG 3.41Å; E526-Y529 HydrophobicContact CB-CD2 4.04Å; E526-Y529 HydrophobicContact CG-CD2 4.47Å; E526-Y529 PolarHBondContact O-N 3.25Å; E526-Q530 WeakPolarHBondContact O-CG 3.45Å; E526-Q530 PolarHBondContact O-N 3.46Å | ||
| 527 | S | 91.5 | Very high | 87.7 | Confident | 78 Ų | 78 | 62.7 Ų | 62.7 | 55% | 0.545 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.6 | -10 | 179.1 | -45.6 | 0 | 0 | 0 | 0 | 114.5 | R531 | S527-R531 PolarHBondContact O-NE 3.37Å; S527-R531 PolarHBondContact O-NH2 3.26Å |
| 528 | S | 91.5 | Very high | 85 | Confident | 47 Ų | 47 | 67.4 Ų | 67.4 | 33% | 0.329 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68.1 | -61.3 | 164.9 | 49.9 | 0 | 0 | 0 | 0 | 110.8 | E526 Q530 R531 T532 | E526-S528 WeakPolarHBondContact CB-OG 3.43Å; E526-S528 PolarHBondContact O-N 3.31Å; E526-S528 PolarHBondContact OE2-OG 3.41Å; S528-Q530 PolarHBondContact O-N 3.25Å; S528-R531 PolarHBondContact O-N 3.18Å; S528-T532 PolarHBondContact O-N 3.37Å |
| 529 | Y | 91.1 | Very high | 82 | Confident | 63 Ų | 63 | 72.3 Ų | 72.3 | 25% | 0.247 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65 | -39.5 | -179.1 | -62.5 | -73.5 | 0 | 0 | 0 | 112.6 | I492 R493 E526 R531 T532 L533 | I492-Y529 HydrophobicContact CG2-CD1 3.83Å; I492-Y529 HydrophobicContact CG2-CG 4.15Å; I492-Y529 WeakPolarHBondContact O-CE1 3.42Å; R493-Y529 HydrophobicContact CG-CE1 4.18Å; R493-Y529 HydrophobicContact CG-CE2 4.15Å; E526-Y529 HydrophobicContact CB-CD2 4.04Å; E526-Y529 HydrophobicContact CG-CD2 4.47Å; E526-Y529 PolarHBondContact O-N 3.25Å; Y529-R531 VanDerWaalsContact C-N 3.31Å; Y529-R531 PolarHBondContact O-N 2.9Å; Y529-T532 WeakPolarHBondContact CA-OG1 3.27Å; Y529-T532 PolarHBondContact O-N 3.38Å; Y529-T532 PolarHBondContact O-OG1 2.79Å; Y529-L533 PolarHBondContact O-N 3.12Å |
| 530 | Q | 91.6 | Very high | 79.1 | Confident | 33 Ų | 33 | 74.2 Ų | 74.2 | 15% | 0.154 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -52.8 | -45.2 | 175.8 | -75.2 | 177.9 | -21.9 | 0 | 0 | 112.6 | Y522 L525 E526 S528 L533 Q534 | Y522-Q530 HydrophobicContact CD1-CG 4.33Å; Y522-Q530 HydrophobicContact CD2-CG 4.32Å; Y522-Q530 HydrophobicContact CE1-CB 4.31Å; Y522-Q530 HydrophobicContact CE1-CG 3.95Å; Y522-Q530 HydrophobicContact CE2-CB 3.86Å; Y522-Q530 HydrophobicContact CE2-CG 3.95Å; Y522-Q530 HydrophobicContact CG-CG 4.49Å; Y522-Q530 PolarHBondContact O-NE2 3.34Å; L525-Q530 HydrophobicContact CB-CG 4.22Å; L525-Q530 PolarHBondContact O-NE2 3.19Å; E526-Q530 WeakPolarHBondContact O-CG 3.45Å; E526-Q530 PolarHBondContact O-N 3.46Å; S528-Q530 PolarHBondContact O-N 3.25Å; Q530-L533 PolarHBondContact O-N 3.16Å; Q530-Q534 PolarHBondContact O-N 3.41Å |
| 531 | R | 88.3 | Confident | 76 | Confident | 171 Ų | 171 | 74.8 Ų | 74.8 | 65% | 0.645 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.3 | -39.3 | 175 | -77.6 | 178.1 | -72.8 | 159.3 | -4 | 112.2 | S527 S528 Y529 L533 Q534 S535 | S527-R531 PolarHBondContact O-NE 3.37Å; S527-R531 PolarHBondContact O-NH2 3.26Å; S528-R531 PolarHBondContact O-N 3.18Å; Y529-R531 VanDerWaalsContact C-N 3.31Å; Y529-R531 PolarHBondContact O-N 2.9Å; R531-L533 VanDerWaalsContact C-N 3.3Å; R531-L533 PolarHBondContact O-N 2.92Å; R531-Q534 PolarHBondContact O-N 2.88Å; R531-S535 PolarHBondContact O-N 3.16Å; R531-S535 PolarHBondContact O-OG 3.34Å |
| 532 | T | 86.5 | Confident | 73 | Confident | 56 Ų | 56 | 80.2 Ų | 80.2 | 34% | 0.344 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -69.9 | -23.1 | 178.7 | 66.6 | 0 | 0 | 0 | 0 | 114.3 | R504 S528 Y529 S535 C536 | R504-T532 WeakPolarHBondContact CD-O 3.49Å; R504-T532 PolarHBondContact NE-O 3.44Å; S528-T532 PolarHBondContact O-N 3.37Å; Y529-T532 WeakPolarHBondContact CA-OG1 3.27Å; Y529-T532 PolarHBondContact O-N 3.38Å; Y529-T532 PolarHBondContact O-OG1 2.79Å; T532-S535 WeakPolarHBondContact CA-OG 3.45Å; T532-S535 PolarHBondContact O-OG 3.06Å; T532-C536 PolarHBondContact O-SG 3.4Å |
| 533 | L | 87.1 | Confident | 70.3 | Confident | 0 Ų | 0 | 85.1 Ų | 85.1 | 0% | 0 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -73.3 | -47.6 | 170.1 | -74.7 | 167.8 | 0 | 0 | 0 | 110.6 | I492 R504 Y507 Y522 L525 Y529 Q530 R531 S535 C536 | I492-L533 HydrophobicContact CD1-CD1 4.31Å; I492-L533 HydrophobicContact CD1-CD2 4.21Å; R504-L533 HydrophobicContact CB-CD2 3.87Å; R504-L533 HydrophobicContact CG-CD2 3.66Å; R504-L533 HydrophobicContact CG-CG 4.39Å; Y507-L533 HydrophobicContact CD1-CD1 4.49Å; Y507-L533 HydrophobicContact CD1-CD2 3.8Å; Y507-L533 HydrophobicContact CD2-CD1 4.46Å; Y507-L533 HydrophobicContact CG-CD1 4.46Å; Y507-L533 HydrophobicContact CG-CD2 3.81Å; Y522-L533 HydrophobicContact CD2-CD1 3.88Å; Y522-L533 HydrophobicContact CE2-CB 4.38Å; Y522-L533 HydrophobicContact CE2-CD1 4.32Å; L525-L533 HydrophobicContact CD1-CD1 3.66Å; Y529-L533 PolarHBondContact O-N 3.12Å; Q530-L533 PolarHBondContact O-N 3.16Å; R531-L533 VanDerWaalsContact C-N 3.3Å; R531-L533 PolarHBondContact O-N 2.92Å; L533-S535 VanDerWaalsContact C-N 3.35Å; L533-S535 PolarHBondContact O-N 2.95Å; L533-C536 PolarHBondContact O-N 3.31Å |
| 534 | Q | 79.9 | Confident | 67.2 | Low | 107 Ų | 107 | 83.9 Ų | 83.9 | 50% | 0.5 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.8 | -36.7 | 177.2 | -72.2 | -179 | -25.1 | 0 | 0 | 113.1 | Y522 Q530 R531 C536 L537 K538 | Y522-Q534 HydrophobicContact CE2-CG 4.46Å; Y522-Q534 VanDerWaalsContact OH-CD 3.31Å; Y522-Q534 PolarHBondContact OH-NE2 2.95Å; Y522-Q534 VanDerWaalsContact OH-NE2 3.09Å; Q530-Q534 PolarHBondContact O-N 3.41Å; R531-Q534 PolarHBondContact O-N 2.88Å; Q534-C536 VanDerWaalsContact C-N 3.29Å; Q534-C536 PolarHBondContact O-N 2.9Å; Q534-L537 WeakPolarHBondContact O-CB 3.46Å; Q534-L537 PolarHBondContact O-N 3.12Å; Q534-K538 PolarHBondContact O-N 2.93Å |
| 535 | S | 66.8 | Low | 64.2 | Low | 66 Ų | 66 | 86.7 Ų | 86.7 | 46% | 0.462 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.2 | -30.9 | 176.6 | 58.5 | 0 | 0 | 0 | 0 | 113.1 | R531 T532 L533 L537 K538 S539 | R531-S535 PolarHBondContact O-N 3.16Å; R531-S535 PolarHBondContact O-OG 3.34Å; T532-S535 WeakPolarHBondContact CA-OG 3.45Å; T532-S535 PolarHBondContact O-OG 3.06Å; L533-S535 VanDerWaalsContact C-N 3.35Å; L533-S535 PolarHBondContact O-N 2.95Å; S535-L537 VanDerWaalsContact C-N 3.34Å; S535-K538 PolarHBondContact O-N 2.92Å; S535-S539 PolarHBondContact O-N 2.7Å |
| 536 | C | 58.7 | Low | 61.3 | Low | 31 Ų | 31 | 94.1 Ų | 94.1 | 21% | 0.209 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -66.9 | -34.9 | 174.6 | -75.7 | 0 | 0 | 0 | 0 | 112 | R504 T532 L533 Q534 K538 S539 S540 | R504-C536 PolarHBondContact NE-SG 2.65Å; R504-C536 VanDerWaalsContact NE-SG 3.36Å; T532-C536 PolarHBondContact O-SG 3.4Å; L533-C536 PolarHBondContact O-N 3.31Å; Q534-C536 VanDerWaalsContact C-N 3.29Å; Q534-C536 PolarHBondContact O-N 2.9Å; C536-K538 PolarHBondContact O-N 2.74Å; C536-S539 PolarHBondContact O-N 3.07Å; C536-S539 VanDerWaalsContact O-N 3.13Å; C536-S540 PolarHBondContact O-N 3.47Å |
| 537 | L | 51.7 | Low | 58.8 | Low | 96 Ų | 96 | 93.9 Ų | 93.9 | 50% | 0.503 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60 | -45.8 | 176 | -166.2 | 74.3 | 0 | 0 | 0 | 111.5 | W508 Q534 S535 S539 S540 G541 | W508-L537 HydrophobicContact CD2-CD1 4.36Å; W508-L537 HydrophobicContact CE3-CD1 4.25Å; W508-L537 HydrophobicContact CH2-CB 4.42Å; W508-L537 HydrophobicContact CH2-CD1 4.01Å; W508-L537 HydrophobicContact CH2-CD2 4.23Å; W508-L537 HydrophobicContact CH2-CG 4.46Å; W508-L537 HydrophobicContact CZ2-CB 4.06Å; W508-L537 HydrophobicContact CZ2-CD1 4.11Å; W508-L537 HydrophobicContact CZ3-CD1 4.07Å; Q534-L537 WeakPolarHBondContact O-CB 3.46Å; Q534-L537 PolarHBondContact O-N 3.12Å; S535-L537 VanDerWaalsContact C-N 3.34Å; L537-S539 PolarHBondContact O-N 3.09Å; L537-S540 PolarHBondContact O-N 2.96Å; L537-G541 PolarHBondContact O-N 3.46Å |
| 538 | K | 40.1 | Very low | 56.1 | Low | 196 Ų | 196 | 98.5 Ų | 98.5 | 85% | 0.852 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63 | -23.5 | 176.9 | -66.4 | -164.3 | 174.2 | -164 | 0 | 113.7 | Q534 S535 C536 | Q534-K538 PolarHBondContact O-N 2.93Å; S535-K538 PolarHBondContact O-N 2.92Å; C536-K538 PolarHBondContact O-N 2.74Å |
| 539 | S | 32.5 | Very low | 53.2 | Low | 102 Ų | 102 | 101.8 Ų | 101.8 | 71% | 0.713 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -0.1 | -179.9 | -168.7 | 0 | 0 | 0 | 0 | 114.1 | S535 C536 L537 | S535-S539 PolarHBondContact O-N 2.7Å; C536-S539 PolarHBondContact O-N 3.07Å; C536-S539 VanDerWaalsContact O-N 3.13Å; L537-S539 PolarHBondContact O-N 3.09Å |
| 540 | S | 34.1 | Very low | 50.6 | Low | 96 Ų | 96 | 105 Ų | 105 | 67% | 0.671 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.8 | 3.2 | -179.3 | -59.3 | 0 | 0 | 0 | 0 | 113.8 | C536 L537 S542 | C536-S540 PolarHBondContact O-N 3.47Å; L537-S540 PolarHBondContact O-N 2.96Å; S540-S542 PolarHBondContact O-N 3.25Å |
| 541 | G | 32.1 | Very low | 47.7 | Very low | 67 Ų | 67 | 115.5 Ų | 115.5 | 69% | 0.691 | 66% | 0.659 | S | S | * | * | trans | -87.2 | 15.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | L537 | L537-G541 PolarHBondContact O-N 3.46Š| ||
| 542 | S | 34.5 | Very low | 44.9 | Very low | 118 Ų | 118 | 112.7 Ų | 112.7 | 83% | 0.825 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -112.9 | 43.7 | -173.9 | -152.9 | 0 | 0 | 0 | 0 | 114.2 | S540 | S540-S542 PolarHBondContact O-N 3.25Š|
| 543 | V | 37 | Very low | 42.1 | Very low | 142 Ų | 142 | 115.9 Ų | 115.9 | 86% | 0.861 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -154.3 | 57.6 | 169.7 | -83.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 544 | A | 32.1 | Very low | 39.2 | Very low | 95 Ų | 95 | 121.2 Ų | 121.2 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | -157.1 | 120.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 545 | S | 33 | Very low | 36.9 | Very low | 116 Ų | 116 | 120.8 Ų | 120.8 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 137.5 | 169 | 41.1 | 0 | 0 | 0 | 0 | 110.8 | ||
| 546 | L | 32.7 | Very low | 35.2 | Very low | 170 Ų | 170 | 122.7 Ų | 122.7 | 89% | 0.89 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 121.8 | 166.3 | -72.9 | 171.2 | 0 | 0 | 0 | 108.9 | ||
| 547 | P | 41.3 | Very low | 33.9 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 150.9 | 165.8 | 32 | -32.7 | 0 | 0 | 0 | 110.6 | ||
| 548 | Q | 36.4 | Very low | 32.9 | Very low | 175 Ų | 175 | 132.9 Ų | 132.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 158.1 | 179.2 | -66.9 | 152.1 | -96.7 | 0 | 0 | 112.8 | ||
| 549 | S | 29.4 | Very low | 32.4 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -146.9 | 117.1 | 152.1 | 65.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 550 | D | 36.4 | Very low | 32.5 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | -73.8 | 142.9 | -172.4 | -53.4 | -88.6 | 0 | 0 | 0 | 114 | ||||
| 551 | R | 30.9 | Very low | 32.3 | Very low | 253 Ų | 253 | 135.4 Ų | 135.4 | 96% | 0.955 | 81% | 0.808 | S | S | * | * | trans | -144.6 | 82.3 | 154.8 | -80.5 | -158.4 | 166.7 | 179.8 | -4.2 | 111.8 | ||||
| 552 | S | 29.9 | Very low | 32.2 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | trans | -85.7 | 119 | 167.9 | -65.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 553 | S | 27.6 | Very low | 32.7 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -173.8 | 136.6 | 161.3 | -78.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 554 | S | 26.8 | Very low | 32.5 | Very low | 112 Ų | 112 | 141 Ų | 141 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | cis | 163.5 | 136.3 | -28 | 175.1 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 555 | S | 31 | Very low | 32.5 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | trans | 48.9 | 120.7 | 161.9 | -169 | 0 | 0 | 0 | 0 | 121 | ||||
| 556 | S | 30.2 | Very low | 32.4 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | 171.2 | 112.2 | 107 | -68.2 | 0 | 0 | 0 | 0 | 109 | |||||
| 557 | Q | 31.8 | Very low | 32.3 | Very low | 174 Ų | 174 | 140.2 Ų | 140.2 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | 81.9 | 155.2 | 83.5 | -116 | -171.5 | -4.1 | 0 | 0 | 115.8 | |||||
| 558 | E | 30.5 | Very low | 31.6 | Very low | 166 Ų | 166 | 144.3 Ų | 144.3 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -73.5 | 160.2 | -158.5 | -58 | 138.4 | 73 | 0 | 0 | 116 | ||||
| 559 | S | 30 | Very low | 31.4 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | -170 | 159.6 | 127.8 | 30.8 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 560 | L | 34.3 | Very low | 31.3 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -90.1 | 148 | -175.6 | -64.5 | 157.4 | 0 | 0 | 0 | 111.9 | ||||
| 561 | N | 30.3 | Very low | 31 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | -175.9 | 162.6 | 114.5 | -98.2 | -54.8 | 0 | 0 | 0 | 115.5 | |||||
| 562 | R | 30.7 | Very low | 31.8 | Very low | 208 Ų | 208 | 133.7 Ų | 133.7 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -93.8 | -179.4 | 177.8 | -128.5 | 176.2 | 158.5 | 175.3 | -4.3 | 109 | ||||
| 563 | P | 44.4 | Very low | 31.7 | Very low | 101 Ų | 101 | 131.7 Ų | 131.7 | 66% | 0.656 | 78% | 0.776 | S | S | * | * | cis | -148.7 | 154.5 | 9 | 36.6 | -13.3 | 0 | 0 | 0 | 122 | ||||
| 564 | L | 31.6 | Very low | 31.9 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 71% | 0.712 | 78% | 0.781 | S | S | * | * | trans | 63 | 160.6 | 139.8 | -64 | 168 | 0 | 0 | 0 | 119.9 | ||||
| 565 | T | 33.2 | Very low | 32.2 | Very low | 117 Ų | 117 | 139 Ų | 139 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | cis | -97.3 | -147.1 | -8.5 | 50.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 566 | S | 31.5 | Very low | 32.9 | Very low | 96 Ų | 96 | 140 Ų | 140 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | cis | -140.6 | 165.1 | -1.8 | -75.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 567 | K | 29.7 | Very low | 33 | Very low | 150 Ų | 150 | 140 Ų | 140 | 65% | 0.652 | 79% | 0.793 | S | S | * | * | cis | 81.5 | 112.1 | 27.4 | -63.3 | -147 | 174.6 | -166 | 0 | 116.1 | ||||
| 568 | W | 26.7 | Very low | 32.8 | Very low | 208 Ų | 208 | 135.2 Ų | 135.2 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | cis | -157.6 | 156.8 | -2.9 | -112.1 | -14 | 0 | 0 | 0 | 112.7 | ||||
| 569 | S | 32.4 | Very low | 32.8 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -133.1 | 143.7 | 157.7 | -57.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 570 | A | 28.1 | Very low | 32.9 | Very low | 101 Ų | 101 | 138 Ų | 138 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | -150.6 | 129.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 571 | A | 29.8 | Very low | 32.6 | Very low | 96 Ų | 96 | 134.8 Ų | 134.8 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | trans | -141.3 | -172.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 572 | P | 46.2 | Very low | 32.5 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | cis | -129.2 | -167.7 | -7.8 | 41.3 | -24.4 | 0 | 0 | 0 | 112.7 | ||||
| 573 | G | 28.6 | Very low | 32.5 | Very low | 71 Ų | 71 | 125.4 Ų | 125.4 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | -162 | 109.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 574 | R | 32.3 | Very low | 31.9 | Very low | 253 Ų | 253 | 126.2 Ų | 126.2 | 96% | 0.955 | 80% | 0.801 | S | S | * | * | trans | 40.9 | 132.8 | 154.8 | -72.3 | -177.3 | 172.5 | 168.8 | -2.2 | 123 | ||||
| 575 | V | 33.2 | Very low | 31.8 | Very low | 135 Ų | 135 | 124.3 Ų | 124.3 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -81.7 | 171 | 156.4 | -79.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 576 | P | 44.4 | Very low | 31.6 | Very low | 118 Ų | 118 | 125.1 Ų | 125.1 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | cis | -149.2 | 172 | 28.7 | 44.6 | -23.9 | 0 | 0 | 0 | 121.1 | ||||
| 577 | A | 32.8 | Very low | 31.6 | Very low | 106 Ų | 106 | 125.4 Ų | 125.4 | 88% | 0.876 | 81% | 0.806 | S | S | * | * | trans | 51.3 | 144.4 | 144.3 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 578 | G | 27.6 | Very low | 31.6 | Very low | 75 Ų | 75 | 126.6 Ų | 126.6 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | 143.4 | 63.3 | 144.3 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 579 | S | 31.1 | Very low | 31.8 | Very low | 106 Ų | 106 | 125 Ų | 125 | 74% | 0.741 | 82% | 0.82 | S | S | * | * | trans | 52.1 | 119.5 | 143.2 | -154.2 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 580 | R | 31.8 | Very low | 31.8 | Very low | 246 Ų | 246 | 130.6 Ų | 130.6 | 93% | 0.928 | 82% | 0.822 | S | S | * | * | trans | 50.2 | 120.3 | 138.2 | -64.4 | 179.7 | 173.9 | -174.8 | -1 | 123 | ||||
| 581 | G | 28.4 | Very low | 32 | Very low | 86 Ų | 86 | 130.4 Ų | 130.4 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | 130.8 | 140.7 | 121.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 582 | G | 28.3 | Very low | 32.6 | Very low | 85 Ų | 85 | 135.5 Ų | 135.5 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | trans | 117.7 | 121.5 | 156 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 583 | A | 30.2 | Very low | 32 | Very low | 93 Ų | 93 | 133.8 Ų | 133.8 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -70.3 | 135.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 584 | S | 31.4 | Very low | 32.5 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | 90.3 | 158.9 | 99.8 | 81 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 585 | S | 29.2 | Very low | 32.5 | Very low | 96 Ų | 96 | 130.8 Ų | 130.8 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | cis | -157.9 | 165.3 | 13.7 | 75.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 586 | V | 30.1 | Very low | 32.4 | Very low | 135 Ų | 135 | 131.4 Ų | 131.4 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 67.9 | 123.7 | 153.3 | 171.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 587 | S | 30.7 | Very low | 31.8 | Very low | 101 Ų | 101 | 131.3 Ų | 131.3 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | -161.3 | 145.6 | 52.4 | 36.4 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 588 | L | 29.9 | Very low | 31.6 | Very low | 175 Ų | 175 | 133.2 Ų | 133.2 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | trans | 61.2 | 147.4 | 149.9 | -79.8 | 162 | 0 | 0 | 0 | 123.5 | ||||
| 589 | Q | 30.7 | Very low | 31.7 | Very low | 174 Ų | 174 | 134.3 Ų | 134.3 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -143.8 | 163.6 | -172.7 | -56.7 | 172.5 | -89 | 0 | 0 | 112.2 | ||||
| 590 | R | 33.7 | Very low | 31.7 | Very low | 241 Ų | 241 | 133.8 Ų | 133.8 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | -177.4 | 151.2 | 131.9 | -100.6 | 159.2 | -178.7 | -95.7 | -0.4 | 110 | ||||
| 591 | S | 30.8 | Very low | 31.6 | Very low | 98 Ų | 98 | 126.4 Ų | 126.4 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | cis | 178.3 | 155.8 | -24 | -98.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 592 | R | 42.9 | Very low | 31.7 | Very low | 203 Ų | 203 | 128.4 Ų | 128.4 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | cis | -167.4 | 152.4 | -20.1 | -174 | -140.7 | 146.5 | 143.9 | -5.1 | 106.2 | ||||
| 593 | S | 34.2 | Very low | 31.7 | Very low | 95 Ų | 95 | 129 Ų | 129 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | trans | -114 | 174.7 | 170.1 | 58.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 594 | D | 38.4 | Very low | 31.9 | Very low | 145 Ų | 145 | 132.9 Ų | 132.9 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | -70.1 | -175.8 | -164.6 | -59.8 | -77.6 | 0 | 0 | 0 | 118.3 | ||||
| 595 | V | 32.5 | Very low | 31.8 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 71% | 0.709 | 77% | 0.768 | S | S | * | * | trans | 111.9 | 118.5 | 160.4 | -177.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 596 | D | 31.8 | Very low | 32 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | 55.6 | 149.2 | 155.2 | -92.4 | -39.1 | 0 | 0 | 0 | 128 | ||||
| 597 | V | 31.6 | Very low | 32 | Very low | 117 Ų | 117 | 142.1 Ų | 142.1 | 71% | 0.709 | 77% | 0.768 | S | S | * | * | trans | 12.8 | 119.3 | 160.1 | -171.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 598 | N | 29.1 | Very low | 31.9 | Very low | 146 Ų | 146 | 144.2 Ų | 144.2 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | -174.2 | 162.3 | 99.1 | -141.9 | -20.2 | 0 | 0 | 0 | 114 | |||||
| 599 | A | 29.7 | Very low | 31.8 | Very low | 98 Ų | 98 | 139 Ų | 139 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -149.1 | 120.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 600 | A | 30.2 | Very low | 31.9 | Very low | 94 Ų | 94 | 139.8 Ų | 139.8 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | trans | -130.5 | 169.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 601 | A | 30.5 | Very low | 31.6 | Very low | 92 Ų | 92 | 133 Ų | 133 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | trans | -73.5 | -174.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 602 | V | 29.7 | Very low | 31.7 | Very low | 128 Ų | 128 | 138 Ų | 138 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | -170.4 | 147.1 | 62.5 | 164.3 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 603 | A | 28.1 | Very low | 31 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | trans | -144 | 91.7 | 155 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 604 | K | 35.1 | Very low | 30.8 | Very low | 174 Ų | 174 | 132.4 Ų | 132.4 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | trans | 20.4 | 140.7 | 144.1 | -56.6 | 174.2 | -178.8 | 175.1 | 0 | 119.4 | ||||
| 605 | Y | 29.9 | Very low | 30.5 | Very low | 185 Ų | 185 | 131.1 Ų | 131.1 | 73% | 0.725 | 78% | 0.775 | S | S | * | * | -168.6 | 138 | 79.2 | -113.2 | -102.8 | 0 | 0 | 0 | 116.2 | |||||
| 606 | R | 31.5 | Very low | 30.4 | Very low | 190 Ų | 190 | 136.1 Ų | 136.1 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | trans | 56 | 118.6 | 147.8 | -76.1 | -174.1 | 175.1 | 154.5 | -1.8 | 126.2 | ||||
| 607 | H | 31.4 | Very low | 30.4 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | 58.8 | 157.5 | 139.8 | -48.6 | -61.1 | 0 | 0 | 0 | 120.9 | ||||
| 608 | V | 29.3 | Very low | 31.3 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | cis | -144.8 | 153.8 | 17 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 609 | G | 27.2 | Very low | 31.9 | Very low | 66 Ų | 66 | 134.9 Ų | 134.9 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | trans | 82.6 | 135.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 610 | Q | 32.3 | Very low | 31.8 | Very low | 190 Ų | 190 | 133.5 Ų | 133.5 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | cis | 69.6 | 130 | 10.9 | -76.6 | -162.9 | -0.2 | 0 | 0 | 116.9 | ||||
| 611 | T | 28 | Very low | 31.8 | Very low | 98 Ų | 98 | 135 Ų | 135 | 60% | 0.601 | 78% | 0.783 | S | S | * | * | cis | -158.6 | 149.7 | 0.4 | 36.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 612 | K | 32.3 | Very low | 31.8 | Very low | 204 Ų | 204 | 141.5 Ų | 141.5 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | trans | 57.4 | 153.3 | 144.9 | -63.1 | 168.4 | -177.9 | 178 | 0 | 119.8 | ||||
| 613 | G | 27.7 | Very low | 31.8 | Very low | 71 Ų | 71 | 139 Ų | 139 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | cis | 160.9 | -176.8 | -6.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 614 | A | 31.6 | Very low | 32 | Very low | 108 Ų | 108 | 139 Ų | 139 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | trans | 73.2 | -177.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 615 | S | 32 | Very low | 31.9 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -150.2 | 167.3 | -151.6 | -47.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 616 | R | 30.4 | Very low | 31.9 | Very low | 221 Ų | 221 | 134.9 Ų | 134.9 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | 100.3 | 116.7 | 159.4 | -79.4 | -168.7 | 162.8 | -140.5 | -1.7 | 121.5 | ||||
| 617 | L | 31.4 | Very low | 31.9 | Very low | 138 Ų | 138 | 133.1 Ų | 133.1 | 72% | 0.723 | 78% | 0.775 | S | S | * | * | trans | 75.5 | -173.4 | 137.5 | -52.4 | 172.5 | 0 | 0 | 0 | 117.7 | ||||
| 618 | P | 50.1 | Low | 32 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | -123.3 | -153.1 | -108.5 | 40.8 | -19.2 | 0 | 0 | 0 | 111.3 | |||||
| 619 | P | 42.1 | Very low | 32.4 | Very low | 130 Ų | 130 | 127.4 Ų | 127.4 | 84% | 0.844 | 77% | 0.765 | S | S | * | * | cis | -134.5 | -167.4 | -7 | 44.1 | -25.8 | 0 | 0 | 0 | 114.9 | ||||
| 620 | G | 27.9 | Very low | 32.6 | Very low | 70 Ų | 70 | 130.4 Ų | 130.4 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | 156.9 | 128.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 621 | S | 30.1 | Very low | 32.6 | Very low | 124 Ų | 124 | 129 Ų | 129 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | trans | -143.2 | 139.6 | -171.1 | -56.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 622 | Y | 30 | Very low | 32.9 | Very low | 230 Ų | 230 | 130.5 Ų | 130.5 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | trans | -171.6 | 146 | 159.8 | -132 | -122.4 | 0 | 0 | 0 | 106.3 | ||||
| 623 | S | 29.4 | Very low | 33 | Very low | 76 Ų | 76 | 128.2 Ų | 128.2 | 53% | 0.531 | 76% | 0.763 | S | S | . | * | cis | -152.8 | 147.8 | -9.6 | -119.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 624 | S | 32.1 | Very low | 33.1 | Very low | 96 Ų | 96 | 128.3 Ų | 128.3 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | 62.7 | 123.5 | 83.2 | -165.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 625 | L | 32.4 | Very low | 32.9 | Very low | 135 Ų | 135 | 128.8 Ų | 128.8 | 71% | 0.707 | 76% | 0.756 | S | S | * | * | cis | -162.3 | 161.8 | -7.1 | -108.6 | 175.5 | 0 | 0 | 0 | 108.5 | ||||
| 626 | D | 31.6 | Very low | 32.9 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | 55.6 | 160.5 | 149.4 | -57.4 | -23.2 | 0 | 0 | 0 | 121.3 | ||||
| 627 | D | 31.6 | Very low | 32.9 | Very low | 153 Ų | 153 | 128.3 Ų | 128.3 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | cis | -155 | 173.2 | -35 | -176.1 | 26.2 | 0 | 0 | 0 | 107.2 | ||||
| 628 | A | 33.6 | Very low | 32.9 | Very low | 73 Ų | 73 | 128.5 Ų | 128.5 | 60% | 0.603 | 75% | 0.753 | S | S | * | * | trans | -78.2 | 151.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 629 | S | 36.7 | Very low | 32.1 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | 165 | 134.3 | 117.4 | -76.3 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 630 | D | 31.9 | Very low | 31.4 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | trans | 71.2 | 170.8 | 142.1 | -133.3 | 31.1 | 0 | 0 | 0 | 124 | ||||
| 631 | K | 32.8 | Very low | 31.6 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | trans | -52.6 | 158.3 | -173.5 | -52.7 | 156.3 | -164.6 | 75.3 | 0 | 112.7 | ||||
| 632 | T | 34.3 | Very low | 31.6 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | -162.4 | 163.1 | 55.8 | 48.6 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 633 | D | 32.5 | Very low | 31.5 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | trans | 5 | 147.6 | 141.6 | -153.5 | 0.1 | 0 | 0 | 0 | 121.1 | ||||
| 634 | G | 30.6 | Very low | 31.4 | Very low | 74 Ų | 74 | 134.8 Ų | 134.8 | 76% | 0.763 | 76% | 0.755 | S | S | * | * | trans | 171.5 | 92.2 | 178 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 635 | T | 28.5 | Very low | 31.2 | Very low | 117 Ų | 117 | 140 Ų | 140 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | trans | -71 | 165.5 | 179.2 | 55 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 636 | R | 30.2 | Very low | 31.2 | Very low | 234 Ų | 234 | 141.6 Ų | 141.6 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | 72.3 | 163.5 | 154.8 | -81 | 174.6 | 156 | 168 | -6.6 | 117.1 | ||||
| 637 | S | 31.1 | Very low | 31.7 | Very low | 97 Ų | 97 | 140.6 Ų | 140.6 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | cis | 178.6 | 166.9 | -33.8 | -97.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 638 | D | 30.9 | Very low | 31.6 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | 66.9 | 152.3 | 171.1 | -79.9 | 22.6 | 0 | 0 | 0 | 116.4 | ||||
| 639 | N | 33.7 | Very low | 31.4 | Very low | 141 Ų | 141 | 141.7 Ų | 141.7 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | cis | -138.8 | 146.6 | -0.3 | -130.4 | -46.1 | 0 | 0 | 0 | 112 | ||||
| 640 | G | 26.9 | Very low | 31 | Very low | 78 Ų | 78 | 142.7 Ų | 142.7 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -154.9 | 86.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 641 | R | 32.1 | Very low | 30.9 | Very low | 230 Ų | 230 | 141 Ų | 141 | 87% | 0.868 | 78% | 0.778 | S | S | * | * | trans | -150.4 | 134.1 | 179.1 | -169.3 | 173.5 | -176.2 | 177.5 | 1.5 | 105.6 | ||||
| 642 | V | 30.4 | Very low | 30.6 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | cis | -148 | 147 | 37.5 | -126.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 643 | R | 28.3 | Very low | 30.3 | Very low | 235 Ų | 235 | 138.4 Ų | 138.4 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | 55.4 | 135.9 | 96.7 | -168.7 | -166.9 | -158.2 | -171.2 | 7.5 | 116.6 | |||||
| 644 | A | 27.6 | Very low | 30 | Very low | 81 Ų | 81 | 137.4 Ų | 137.4 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | cis | -174.8 | 161.4 | -21.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 645 | K | 28.1 | Very low | 29.9 | Very low | 204 Ų | 204 | 139.3 Ų | 139.3 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | trans | 70 | 123.3 | 155.7 | -68.9 | -177.5 | 177.8 | -172 | 0 | 122.4 | ||||
| 646 | Q | 32.7 | Very low | 29.9 | Very low | 169 Ų | 169 | 138.8 Ų | 138.8 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -17.3 | 158.3 | 139.8 | -71.7 | -78.8 | -22.5 | 0 | 0 | 117.9 | ||||
| 647 | P | 42.2 | Very low | 29.6 | Very low | 117 Ų | 117 | 136 Ų | 136 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | cis | -155.9 | 159.8 | 46.1 | 43.1 | -21.3 | 0 | 0 | 0 | 122.9 | ||||
| 648 | L | 29.6 | Very low | 29.5 | Very low | 150 Ų | 150 | 137 Ų | 137 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 49.8 | 124 | 131.3 | -161.2 | 64.4 | 0 | 0 | 0 | 126.4 | ||||
| 649 | S | 28.8 | Very low | 29.3 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | trans | 66.2 | 160.6 | 152 | -63.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 650 | T | 28.3 | Very low | 29 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | cis | -152.5 | -177.6 | 24.7 | -33.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 651 | A | 28.6 | Very low | 29.1 | Very low | 94 Ų | 94 | 143.2 Ų | 143.2 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | trans | -70.8 | -166.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 652 | S | 28.3 | Very low | 29 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | cis | -168.4 | -177.1 | 18 | 77.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 653 | T | 27.3 | Very low | 29.1 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | cis | -170.6 | 150 | -11.1 | -118 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 654 | V | 26.9 | Very low | 29.3 | Very low | 135 Ų | 135 | 135.7 Ų | 135.7 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -149.5 | 126.3 | 155.1 | -82.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 655 | S | 27.8 | Very low | 29.5 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | 67.9 | 125.3 | 73.4 | -147.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 656 | S | 27.4 | Very low | 29.6 | Very low | 106 Ų | 106 | 138.5 Ų | 138.5 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | cis | -159.2 | 163.5 | 12.1 | 60.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 657 | Q | 25.7 | Very low | 29.5 | Very low | 175 Ų | 175 | 138.5 Ų | 138.5 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 47.5 | 132.9 | 141.9 | -96.8 | -170.9 | 0.2 | 0 | 0 | 128.1 | ||||
| 658 | V | 28 | Very low | 28.9 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | trans | 43.3 | 118.8 | 144.5 | -66.1 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 659 | D | 26.8 | Very low | 28.8 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | 66.9 | 139.2 | 114.3 | -151.8 | 6.4 | 0 | 0 | 0 | 123.9 | |||||
| 660 | S | 27.6 | Very low | 28.8 | Very low | 88 Ų | 88 | 138.6 Ų | 138.6 | 62% | 0.615 | 77% | 0.774 | S | S | * | * | trans | 53 | 114.8 | 151.6 | -78.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 661 | R | 29.6 | Very low | 28.7 | Very low | 258 Ų | 258 | 140 Ų | 140 | 97% | 0.974 | 77% | 0.771 | S | S | * | * | -178.2 | 143.5 | 113.6 | -97.5 | 152.1 | -177.3 | 170.6 | 2.6 | 113.7 | |||||
| 662 | G | 29.8 | Very low | 28.6 | Very low | 70 Ų | 70 | 140.1 Ų | 140.1 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | -126.5 | 160.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 663 | R | 31.1 | Very low | 28.5 | Very low | 246 Ų | 246 | 143 Ų | 143 | 93% | 0.928 | 77% | 0.767 | S | S | * | * | trans | -156.8 | 118.3 | 173.4 | -135.6 | 172.5 | -173.2 | -165.6 | 2.1 | 108.3 | ||||
| 664 | S | 33.8 | Very low | 28.5 | Very low | 106 Ų | 106 | 147.7 Ų | 147.7 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | cis | 94.8 | 116.4 | 34.1 | -63.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 665 | R | 32 | Very low | 28.5 | Very low | 240 Ų | 240 | 145.7 Ų | 145.7 | 91% | 0.906 | 76% | 0.763 | S | S | * | * | trans | -176.4 | 138.4 | 153.3 | -104 | 179.9 | 147.4 | 158.8 | -5.9 | 110.4 | ||||
| 666 | T | 29 | Very low | 28.5 | Very low | 104 Ų | 104 | 146.8 Ų | 146.8 | 64% | 0.638 | 76% | 0.76 | S | S | * | * | cis | -170 | 136.6 | -19.8 | 8.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 667 | K | 32 | Very low | 28.6 | Very low | 169 Ų | 169 | 149.9 Ų | 149.9 | 74% | 0.735 | 76% | 0.763 | S | S | * | * | trans | 52.3 | 155.5 | 134.7 | -69.1 | 177.7 | 163 | -164.2 | 0 | 120.4 | ||||
| 668 | M | 28.7 | Very low | 28.8 | Very low | 141 Ų | 141 | 146.2 Ų | 146.2 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | cis | -163.6 | 136 | -0.9 | -120.8 | 160.3 | 163.4 | 0 | 0 | 112.5 | ||||
| 669 | V | 28.1 | Very low | 28.8 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | 68 | 140.2 | 120 | 167.8 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 670 | S | 28.4 | Very low | 28.8 | Very low | 105 Ų | 105 | 145.3 Ų | 145.3 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | 73.5 | 166.5 | 159.9 | -74.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 671 | Q | 26.1 | Very low | 29 | Very low | 172 Ų | 172 | 147.3 Ų | 147.3 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | cis | -172.9 | 144.5 | -43.5 | -167.2 | -178.1 | 54.6 | 0 | 0 | 109.9 | ||||
| 672 | S | 27.1 | Very low | 30.1 | Very low | 95 Ų | 95 | 140.5 Ų | 140.5 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | trans | 71 | 142.8 | 155.7 | -89 | 0 | 0 | 0 | 0 | 124 | ||||
| 673 | Q | 25.7 | Very low | 29.9 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | 65.6 | 118.5 | 142 | -66.7 | -176.9 | 9.7 | 0 | 0 | 124.4 | ||||
| 674 | R | 26.4 | Very low | 29.7 | Very low | 225 Ų | 225 | 134.1 Ų | 134.1 | 85% | 0.849 | 75% | 0.753 | S | S | * | * | 48.1 | 143.7 | 126.8 | -62.8 | -172.8 | 169.9 | -152.6 | -0 | 123 | |||||
| 675 | S | 27.6 | Very low | 29.4 | Very low | 93 Ų | 93 | 135 Ų | 135 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | 131.1 | 148.4 | 126 | -73.9 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 676 | D | 27.9 | Very low | 29.3 | Very low | 138 Ų | 138 | 134.7 Ų | 134.7 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | 64.9 | 123.4 | 155.4 | -48.8 | -18.1 | 0 | 0 | 0 | 118 | ||||
| 677 | E | 28.9 | Very low | 29.3 | Very low | 171 Ų | 171 | 135.6 Ų | 135.6 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | 91.7 | 145.1 | 52 | -84.1 | -149.5 | 70.4 | 0 | 0 | 114.3 | |||||
| 678 | S | 29.6 | Very low | 29.1 | Very low | 97 Ų | 97 | 131.2 Ų | 131.2 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | cis | -111.9 | -128.6 | -9.3 | -49.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 679 | D | 28.9 | Very low | 29.3 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | cis | -158.1 | 164.6 | -5.4 | -168 | 23.6 | 0 | 0 | 0 | 112.2 | ||||
| 680 | C | 27.7 | Very low | 29.9 | Very low | 102 Ų | 102 | 131 Ų | 131 | 69% | 0.689 | 79% | 0.785 | S | S | * | * | trans | 65.9 | 153.4 | 151.8 | -91.4 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 681 | T | 30.1 | Very low | 30 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -151.9 | -166 | -156.2 | 58.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 682 | P | 52.8 | Low | 30.3 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | -129.7 | -160.9 | -55.5 | 33.6 | -13.8 | 0 | 0 | 0 | 113.7 | |||||
| 683 | A | 26 | Very low | 30.4 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | trans | 78.6 | 134.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 684 | G | 27.8 | Very low | 30.5 | Very low | 77 Ų | 77 | 132.6 Ų | 132.6 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | cis | -164.8 | -167.4 | -2.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 685 | S | 26.3 | Very low | 30.6 | Very low | 125 Ų | 125 | 127.1 Ų | 127.1 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | cis | -160.1 | -160 | 2.3 | -171.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 686 | R | 30.7 | Very low | 30.7 | Very low | 234 Ų | 234 | 128.7 Ų | 128.7 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -103.5 | 161.8 | 175.2 | -57.1 | 164.7 | 164.6 | 177.6 | -7.4 | 109.7 | ||||
| 687 | S | 29 | Very low | 30.8 | Very low | 123 Ų | 123 | 128.9 Ų | 128.9 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | cis | -178.4 | 175.8 | 43.4 | 51.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 688 | G | 26.7 | Very low | 30.6 | Very low | 76 Ų | 76 | 125.6 Ų | 125.6 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | cis | 179.3 | 161.5 | -3.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 689 | S | 32.7 | Very low | 30.6 | Very low | 122 Ų | 122 | 128.5 Ų | 128.5 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -112.9 | 159.8 | 175.3 | -43.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 690 | P | 41.9 | Very low | 30.5 | Very low | 136 Ų | 136 | 126.2 Ų | 126.2 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | -157.2 | -177 | 84.2 | 40.9 | -21.1 | 0 | 0 | 0 | 116.3 | |||||
| 691 | G | 30.4 | Very low | 30.5 | Very low | 71 Ų | 71 | 126.7 Ų | 126.7 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | trans | 142.8 | 67.1 | 145 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 692 | R | 32.7 | Very low | 30.5 | Very low | 234 Ų | 234 | 128.1 Ų | 128.1 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | 48.3 | 113.9 | 133 | -64.1 | -172.2 | 76.9 | 154.5 | 3 | 125.7 | ||||
| 693 | V | 28.3 | Very low | 29.1 | Very low | 118 Ų | 118 | 127.5 Ų | 127.5 | 72% | 0.715 | 80% | 0.798 | S | S | * | * | 65 | 152.7 | 124.9 | -153.6 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 694 | L | 29.2 | Very low | 29.2 | Very low | 152 Ų | 152 | 128.1 Ų | 128.1 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | trans | 86.4 | 162.8 | 166.3 | -56.6 | 179.6 | 0 | 0 | 0 | 117.4 | ||||
| 695 | T | 26.6 | Very low | 29.2 | Very low | 109 Ų | 109 | 127.4 Ų | 127.4 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | -165.1 | 160.4 | -72 | 24.8 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 696 | T | 29.9 | Very low | 29.9 | Very low | 127 Ų | 127 | 126.4 Ų | 126.4 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | 59.3 | 110.8 | 160.3 | 45.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 697 | T | 29.6 | Very low | 29.9 | Very low | 141 Ų | 141 | 122.9 Ų | 122.9 | 87% | 0.865 | 78% | 0.781 | S | S | * | * | 41.7 | 114.3 | 122.5 | -42.9 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 698 | A | 26.3 | Very low | 30.2 | Very low | 102 Ų | 102 | 127.6 Ų | 127.6 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | -159.9 | 169.7 | 142.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 699 | L | 28.3 | Very low | 30.6 | Very low | 158 Ų | 158 | 130.3 Ų | 130.3 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | -87.7 | 166.9 | -167 | -120.7 | 70.9 | 0 | 0 | 0 | 115.7 | ||||
| 700 | S | 27.6 | Very low | 31.1 | Very low | 95 Ų | 95 | 132.9 Ų | 132.9 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | trans | 72.3 | 155.2 | 146.6 | -65.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 701 | T | 28.3 | Very low | 30.7 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | cis | -164.8 | 167.7 | -19.4 | 24.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 702 | M | 28.6 | Very low | 31 | Very low | 159 Ų | 159 | 130.3 Ų | 130.3 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | 74.5 | 126.7 | 173 | -58.1 | -58.8 | 103.3 | 0 | 0 | 114 | ||||
| 703 | S | 24.3 | Very low | 31.3 | Very low | 102 Ų | 102 | 123.6 Ų | 123.6 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | 70.5 | 125 | 63.3 | -159.6 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 704 | S | 28.6 | Very low | 31.5 | Very low | 117 Ų | 117 | 125 Ų | 125 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | cis | -125.2 | 165.7 | 31.8 | -55.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 705 | G | 26.1 | Very low | 31.7 | Very low | 62 Ų | 62 | 121.7 Ų | 121.7 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | cis | 106.9 | 75.9 | 11.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 706 | A | 42.7 | Very low | 32.1 | Very low | 105 Ų | 105 | 125.1 Ų | 125.1 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | trans | -75.6 | 131.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 707 | H | 31 | Very low | 32.3 | Very low | 160 Ų | 160 | 122.5 Ų | 122.5 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | -126.1 | 115.9 | 180 | -102.9 | -108.6 | 0 | 0 | 0 | 113.3 | ||||
| 708 | R | 35.2 | Very low | 32.5 | Very low | 221 Ų | 221 | 123.9 Ų | 123.9 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | 32.6 | 102.5 | 137.4 | -59.8 | -175.5 | -178.9 | -177.4 | -0.7 | 118.8 | ||||
| 709 | V | 34.9 | Very low | 32.9 | Very low | 134 Ų | 134 | 128.3 Ų | 128.3 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | 17.8 | 126.6 | 106.5 | -179.4 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 710 | L | 41.7 | Very low | 33.1 | Very low | 176 Ų | 176 | 131.3 Ų | 131.3 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | -159.5 | 162 | 129.5 | -103 | 162.5 | 0 | 0 | 0 | 109.6 | |||||
| 711 | G | 35.2 | Very low | 33.4 | Very low | 77 Ų | 77 | 131.5 Ų | 131.5 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -79.9 | 179 | -161.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 712 | G | 35.2 | Very low | 33.7 | Very low | 75 Ų | 75 | 136.7 Ų | 136.7 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | cis | 177.5 | -176.2 | -0.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 713 | A | 39.1 | Very low | 34 | Very low | 94 Ų | 94 | 136.5 Ų | 136.5 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | trans | 69.8 | 121.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 714 | T | 32.8 | Very low | 35.5 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 91% | 0.908 | 80% | 0.795 | S | S | * | * | trans | 52.1 | 126.8 | 150.7 | 55.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 715 | G | 34.2 | Very low | 36.1 | Very low | 82 Ų | 82 | 141.3 Ų | 141.3 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | 117.4 | 141.5 | 147.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 716 | D | 35.2 | Very low | 36.7 | Very low | 181 Ų | 181 | 143 Ų | 143 | 97% | 0.968 | 80% | 0.799 | S | S | * | * | trans | -85.6 | 156.1 | 173.2 | -86.7 | -64.9 | 0 | 0 | 0 | 113.1 | ||||
| 717 | G | 34.1 | Very low | 36.3 | Very low | 72 Ų | 72 | 147.5 Ų | 147.5 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | 137.8 | 88.6 | 152.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 718 | H | 32.8 | Very low | 36.5 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 79% | 0.787 | 80% | 0.801 | S | S | * | * | trans | 43.5 | 108.7 | 138.3 | -92.1 | 55.2 | 0 | 0 | 0 | 124.1 | ||||
| 719 | R | 34.8 | Very low | 36.2 | Very low | 195 Ų | 195 | 138.9 Ų | 138.9 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | 69 | 121.3 | 129.8 | -67.5 | -171 | 176.2 | -149.3 | -4 | 124.4 | |||||
| 720 | R | 32 | Very low | 36.1 | Very low | 220 Ų | 220 | 137.4 Ų | 137.4 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | 93 | 117.7 | 134.8 | -76.2 | 178.6 | 170.7 | -173.7 | -3.2 | 123.5 | ||||
| 721 | S | 34.4 | Very low | 35.9 | Very low | 99 Ų | 99 | 139 Ų | 139 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | 104.6 | 122.2 | 117.7 | -179 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 722 | R | 33.9 | Very low | 35.7 | Very low | 222 Ų | 222 | 140.4 Ų | 140.4 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | 81.1 | 108.4 | 147.4 | -80.6 | 175.5 | 173.9 | 179.6 | -1.7 | 123.6 | ||||
| 723 | I | 36.7 | Very low | 35.4 | Very low | 155 Ų | 155 | 142 Ų | 142 | 80% | 0.795 | 78% | 0.781 | S | S | * | * | 54 | 144.1 | 101.9 | -67.6 | 175.3 | 0 | 0 | 0 | 118.9 | |||||
| 724 | P | 54.7 | Low | 35.1 | Very low | 89 Ų | 89 | 142.9 Ų | 142.9 | 58% | 0.578 | 78% | 0.782 | S | S | * | * | cis | -142.2 | 178 | 7.8 | 39 | -18.4 | 0 | 0 | 0 | 120.6 | ||||
| 725 | R | 41.3 | Very low | 35.6 | Very low | 231 Ų | 231 | 142.1 Ų | 142.1 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | trans | 70.8 | 152.1 | 146.7 | -77.8 | 160.1 | -176.9 | 135.8 | 0.1 | 120.7 | ||||
| 726 | S | 39.7 | Very low | 35.6 | Very low | 96 Ų | 96 | 144.6 Ų | 144.6 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | cis | -171.2 | 163.2 | -13.2 | 48.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 727 | Q | 34.3 | Very low | 35.4 | Very low | 201 Ų | 201 | 146.4 Ų | 146.4 | 94% | 0.939 | 77% | 0.772 | S | S | * | * | trans | 73.7 | 147.4 | 169.2 | -60.9 | -176.7 | -13.9 | 0 | 0 | 118.5 | ||||
| 728 | G | 33.5 | Very low | 35 | Very low | 69 Ų | 69 | 149.5 Ų | 149.5 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | cis | 167.8 | 134.8 | -15.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 729 | C | 29 | Very low | 34.7 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 88% | 0.878 | 77% | 0.769 | S | S | * | * | trans | 67.9 | 151.4 | 163.3 | -67.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 730 | S | 34.2 | Very low | 34.4 | Very low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | cis | -176.6 | 175.7 | -10.7 | -94.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 731 | R | 36.5 | Very low | 34.1 | Very low | 209 Ų | 209 | 138 Ų | 138 | 79% | 0.789 | 77% | 0.772 | S | S | * | * | cis | -161.8 | 166.5 | -0.4 | -127 | -167.2 | 125.9 | 127.6 | 16 | 113 | ||||
| 732 | D | 30.5 | Very low | 35.6 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 58% | 0.578 | 78% | 0.778 | S | S | * | * | trans | 14.6 | 158.8 | 140.7 | -84.2 | -60.4 | 0 | 0 | 0 | 124.6 | ||||
| 733 | S | 30.2 | Very low | 35.5 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | cis | -164.2 | 177.2 | -0.6 | -128.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 734 | S | 32 | Very low | 35.2 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | -104.4 | 166.5 | 178.5 | -51 | 0 | 0 | 0 | 0 | 114 | ||||
| 735 | P | 42.8 | Very low | 34.2 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | -157.1 | -152.7 | 94.4 | 42.6 | -21 | 0 | 0 | 0 | 116.1 | |||||
| 736 | T | 35.1 | Very low | 33.8 | Very low | 133 Ų | 133 | 129.8 Ų | 129.8 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | trans | -130.9 | 158.1 | -167.4 | 54.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 737 | R | 30.1 | Very low | 33.4 | Very low | 220 Ų | 220 | 129.9 Ų | 129.9 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | trans | 75.4 | 125.1 | 157.6 | -87.5 | -172.9 | 175.9 | -108.3 | 1.9 | 122.5 | ||||
| 738 | L | 27.5 | Very low | 33.4 | Very low | 137 Ų | 137 | 127.3 Ų | 127.3 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | trans | 58.5 | 115.1 | 140.9 | -67.4 | 171.2 | 0 | 0 | 0 | 121.7 | ||||
| 739 | S | 25.2 | Very low | 33.3 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | 165.3 | 128 | 106.4 | -71.4 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 740 | V | 29.2 | Very low | 33.6 | Very low | 142 Ų | 142 | 134.4 Ų | 134.4 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | trans | 12.6 | 135.5 | 141 | 174.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 741 | A | 25.2 | Very low | 33.4 | Very low | 94 Ų | 94 | 132.5 Ų | 132.5 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | trans | 104.7 | 145.9 | 145.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 742 | P | 65.1 | Low | 33.2 | Very low | 126 Ų | 126 | 127.4 Ų | 127.4 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -125.6 | 171.1 | -174.3 | 44.6 | -31.4 | 0 | 0 | 0 | 116.2 | ||||
| 743 | S | 32.1 | Very low | 33.4 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -173.1 | 166.3 | 148.6 | 57.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 744 | S | 31.1 | Very low | 33.6 | Very low | 78 Ų | 78 | 133.4 Ų | 133.4 | 55% | 0.545 | 78% | 0.778 | S | S | . | * | cis | -155 | 166.4 | 24.8 | -66.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 745 | F | 33.1 | Very low | 33.5 | Very low | 193 Ų | 193 | 131.5 Ų | 131.5 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | 79.3 | 145.6 | 157.4 | -51.8 | -56.1 | 0 | 0 | 0 | 120 | ||||
| 746 | S | 33.3 | Very low | 33 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | cis | -168.8 | 175.7 | -27.3 | -158.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 747 | S | 32.5 | Very low | 32.9 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | trans | 77.2 | 135.3 | 175.4 | -151.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 748 | N | 33.4 | Very low | 32.8 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | cis | -141.2 | 171.3 | 8.2 | -135.4 | -14 | 0 | 0 | 0 | 113.4 | ||||
| 749 | Y | 30.6 | Very low | 32.9 | Very low | 208 Ų | 208 | 128.1 Ų | 128.1 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | trans | -71.5 | 157.7 | -174.8 | -77.8 | -116.9 | 0 | 0 | 0 | 113.2 | ||||
| 750 | N | 35.5 | Very low | 33.6 | Very low | 141 Ų | 141 | 133 Ų | 133 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | cis | -156 | 171.2 | 2.9 | -140.8 | 19.6 | 0 | 0 | 0 | 108.8 | ||||
| 751 | G | 31.3 | Very low | 34.2 | Very low | 62 Ų | 62 | 133 Ų | 133 | 64% | 0.639 | 78% | 0.78 | S | S | * | * | cis | 128.8 | 90 | -10.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 752 | A | 31.7 | Very low | 35.2 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -140.4 | 126.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 753 | S | 35 | Very low | 33.6 | Very low | 102 Ų | 102 | 139.2 Ų | 139.2 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | -0.6 | 144.9 | 170.1 | -58.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 754 | R | 34.1 | Very low | 34.3 | Very low | 241 Ų | 241 | 139 Ų | 139 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | cis | -171.5 | 151.7 | -4.9 | -99.5 | 164.5 | -168.4 | 173.7 | 1.9 | 106.2 | ||||
| 755 | G | 29.6 | Very low | 34.1 | Very low | 72 Ų | 72 | 140.1 Ų | 140.1 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | cis | 153.5 | 129.4 | -12.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 756 | A | 31.9 | Very low | 33.9 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | trans | 76.7 | 152.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 757 | R | 33.2 | Very low | 33.7 | Very low | 253 Ų | 253 | 138.5 Ų | 138.5 | 96% | 0.955 | 78% | 0.78 | S | S | * | * | cis | -165.5 | 174.7 | -15.1 | -111.7 | 174.3 | -177.3 | 176.4 | 0 | 109.4 | ||||
| 758 | G | 28.8 | Very low | 33.8 | Very low | 74 Ų | 74 | 142.9 Ų | 142.9 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | trans | -151.6 | 161.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 759 | S | 30 | Very low | 33.6 | Very low | 129 Ų | 129 | 139.1 Ų | 139.1 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -174.4 | -173.5 | 164 | -159.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 760 | R | 38 | Very low | 33.4 | Very low | 210 Ų | 210 | 135.6 Ų | 135.6 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -127.4 | 147.7 | -174 | -89.1 | -179.6 | 169 | -170.3 | 0.3 | 113.2 | ||||
| 761 | I | 42.5 | Very low | 33.2 | Very low | 141 Ų | 141 | 134.6 Ų | 134.6 | 72% | 0.723 | 79% | 0.794 | S | S | * | * | trans | 63.6 | 128.7 | 137.4 | -66.3 | 174.9 | 0 | 0 | 0 | 117 | ||||
| 762 | P | 46.2 | Very low | 33.5 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | -154.1 | 153.2 | 68.6 | 40.8 | -20.7 | 0 | 0 | 0 | 120.7 | |||||
| 763 | R | 31.6 | Very low | 33.3 | Very low | 239 Ų | 239 | 146.1 Ų | 146.1 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | 41.6 | 168.8 | 136.4 | -78.1 | -177 | 177.2 | 174.9 | -0.5 | 122.4 | ||||
| 764 | P | 47.2 | Very low | 33.1 | Very low | 111 Ų | 111 | 145.4 Ų | 145.4 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | cis | -132.6 | -158 | -11.3 | 35 | -12.6 | 0 | 0 | 0 | 114.4 | ||||
| 765 | S | 26.7 | Very low | 33 | Very low | 102 Ų | 102 | 139.3 Ų | 139.3 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | trans | 80.3 | 126.1 | 158.7 | -64.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 766 | M | 29.3 | Very low | 33.2 | Very low | 180 Ų | 180 | 147.2 Ų | 147.2 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | 73.9 | 139.7 | 67 | -72.6 | -164 | 179.5 | 0 | 0 | 113.8 | |||||
| 767 | S | 29.7 | Very low | 33.6 | Very low | 89 Ų | 89 | 150.8 Ų | 150.8 | 62% | 0.622 | 81% | 0.806 | S | S | * | * | cis | -176.1 | 172.9 | -10 | 53 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 768 | Q | 33.4 | Very low | 33.4 | Very low | 192 Ų | 192 | 144.3 Ų | 144.3 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | 76.2 | 164.4 | 163.4 | -58.1 | -174.8 | 2.6 | 0 | 0 | 119.5 | ||||
| 769 | G | 28.8 | Very low | 33.8 | Very low | 67 Ų | 67 | 145.3 Ų | 145.3 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | trans | 91.8 | 117.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 770 | C | 27.6 | Very low | 34.6 | Very low | 134 Ų | 134 | 149.9 Ų | 149.9 | 91% | 0.905 | 79% | 0.793 | S | S | * | * | cis | 62 | 124.3 | 21.8 | -54.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 771 | S | 31.7 | Very low | 34.4 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | cis | -147.1 | -171.6 | 2.9 | -160.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 772 | R | 37.2 | Very low | 33.8 | Very low | 221 Ų | 221 | 145.9 Ų | 145.9 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -63.2 | 162 | 168.9 | -70 | 168.5 | 159.1 | 170.2 | -8.5 | 112 | ||||
| 773 | E | 27.4 | Very low | 33.2 | Very low | 185 Ų | 185 | 145.8 Ų | 145.8 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | -156.8 | 177.8 | 127.5 | -128 | 62.9 | -85.1 | 0 | 0 | 109.6 | |||||
| 774 | A | 30.3 | Very low | 34.2 | Very low | 87 Ų | 87 | 140.1 Ų | 140.1 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | trans | -151.4 | 154.4 | -164.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 775 | S | 32.9 | Very low | 33.4 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | 80 | 149.1 | 148.3 | -54.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 776 | R | 33.5 | Very low | 33.9 | Very low | 238 Ų | 238 | 147 Ų | 147 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | trans | 85 | 98.9 | 152.5 | -76.8 | 170.5 | 170.7 | 172 | -4.4 | 121.6 | ||||
| 777 | E | 39.6 | Very low | 34.1 | Very low | 172 Ų | 172 | 143 Ų | 143 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | 32.9 | 124.7 | 112.7 | -151.5 | 69.3 | -118.5 | 0 | 0 | 120.7 | |||||
| 778 | S | 29 | Very low | 34 | Very low | 117 Ų | 117 | 147.7 Ų | 147.7 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -160.3 | 164.6 | 154.9 | -167.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 779 | S | 37.4 | Very low | 34 | Very low | 95 Ų | 95 | 144.3 Ų | 144.3 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | trans | -145 | 166.7 | -167.2 | -43.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 780 | R | 46.6 | Very low | 35 | Very low | 224 Ų | 224 | 146.1 Ų | 146.1 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | 119.3 | 160.6 | 148.4 | -74 | -167.4 | 163.5 | 138.3 | -2.7 | 119.8 | ||||
| 781 | D | 33.1 | Very low | 35.3 | Very low | 137 Ų | 137 | 147.3 Ų | 147.3 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | 76.1 | 149.5 | 155.1 | -61.2 | -22.1 | 0 | 0 | 0 | 119.1 | ||||
| 782 | T | 31.2 | Very low | 35.1 | Very low | 130 Ų | 130 | 145.7 Ų | 145.7 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | cis | -158.1 | 170.1 | -11.8 | 17.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 783 | S | 32.3 | Very low | 34.7 | Very low | 110 Ų | 110 | 142.7 Ų | 142.7 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -102.9 | 162.8 | 162.6 | -38.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 784 | P | 54.1 | Low | 34.7 | Very low | 120 Ų | 120 | 145 Ų | 145 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | -160.4 | -175.5 | 79.1 | 42.4 | -21.9 | 0 | 0 | 0 | 117 | |||||
| 785 | V | 28.9 | Very low | 34.5 | Very low | 127 Ų | 127 | 145.6 Ų | 145.6 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | -179.7 | 135.4 | 126.6 | 147.5 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 786 | R | 37.8 | Very low | 34.2 | Very low | 229 Ų | 229 | 150.2 Ų | 150.2 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -6 | 151.1 | 158.9 | -57.6 | 166.6 | -176.4 | -90.2 | -1.9 | 119.3 | ||||
| 787 | S | 33.6 | Very low | 33.8 | Very low | 98 Ų | 98 | 143.5 Ų | 143.5 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | cis | -168.8 | -162.9 | -0 | 43 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 788 | F | 28.6 | Very low | 33.3 | Very low | 187 Ų | 187 | 146.9 Ų | 146.9 | 82% | 0.82 | 78% | 0.784 | S | S | * | * | cis | -158.6 | -161.4 | 8.6 | -132 | -37.8 | 0 | 0 | 0 | 111.7 | ||||
| 789 | T | 31.9 | Very low | 33.3 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | trans | -150.3 | -168.3 | -172.8 | 55.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 790 | P | 51.4 | Low | 33 | Very low | 106 Ų | 106 | 147.7 Ų | 147.7 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | cis | -148.4 | -176.7 | 4 | 46.3 | -25.2 | 0 | 0 | 0 | 120.1 | ||||
| 791 | L | 32 | Very low | 32.1 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | 70.9 | 94.4 | 141.5 | -76.7 | 161 | 0 | 0 | 0 | 127.1 | ||||
| 792 | A | 27.6 | Very low | 31.9 | Very low | 85 Ų | 85 | 138.4 Ų | 138.4 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | 42.2 | 135.1 | 116.6 | 0 | 0 | 0 | 0 | 0 | 126.5 | |||||
| 793 | T | 28.6 | Very low | 31.8 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 96% | 0.963 | 78% | 0.779 | S | S | * | * | trans | -161.6 | 179.4 | 135.9 | -5.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 794 | R | 28.5 | Very low | 31.6 | Very low | 233 Ų | 233 | 141.7 Ų | 141.7 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | trans | -96.6 | 168.8 | -177.3 | -71 | 177.4 | 162.1 | -170.8 | -3.6 | 113.8 | ||||
| 795 | S | 26.1 | Very low | 30.4 | Very low | 101 Ų | 101 | 141.4 Ų | 141.4 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | 109.7 | 137.9 | 136.1 | -64.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 796 | Y | 26.1 | Very low | 31.2 | Very low | 209 Ų | 209 | 139.8 Ų | 139.8 | 82% | 0.82 | 77% | 0.767 | S | S | * | * | trans | 63.1 | 107 | 148.2 | -88.5 | -110.6 | 0 | 0 | 0 | 122.5 | ||||
| 797 | S | 25.3 | Very low | 30.7 | Very low | 97 Ų | 97 | 136.2 Ų | 136.2 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | 45.6 | 118.6 | 112.4 | -48.5 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 798 | R | 29.4 | Very low | 30.4 | Very low | 244 Ų | 244 | 135.3 Ų | 135.3 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | 163.7 | 154.7 | 126.9 | -90.8 | -178.7 | -178.4 | -143.7 | -1 | 109.4 | |||||
| 799 | S | 28.6 | Very low | 30.4 | Very low | 83 Ų | 83 | 136.6 Ų | 136.6 | 58% | 0.58 | 77% | 0.769 | S | S | * | * | cis | 154.1 | 162.3 | -27.9 | 57.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 800 | T | 31 | Very low | 30.1 | Very low | 146 Ų | 146 | 134.3 Ų | 134.3 | 90% | 0.896 | 77% | 0.769 | S | S | * | * | trans | 75.8 | 137.9 | -178.4 | 76.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 801 | G | 29.1 | Very low | 29 | Very low | 67 Ų | 67 | 134.8 Ų | 134.8 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | cis | -147.3 | 150.7 | -12.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 802 | A | 28.9 | Very low | 28.9 | Very low | 98 Ų | 98 | 132.4 Ų | 132.4 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | 56.1 | 125.4 | 68.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 803 | L | 27.9 | Very low | 28.9 | Very low | 148 Ų | 148 | 131.7 Ų | 131.7 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | cis | -137.3 | 178.2 | 27.8 | -65.9 | 155.2 | 0 | 0 | 0 | 110.7 | ||||
| 804 | H | 28.7 | Very low | 29 | Very low | 162 Ų | 162 | 129.9 Ų | 129.9 | 75% | 0.75 | 78% | 0.78 | S | S | * | * | cis | -145.2 | 160.3 | 12.9 | -129.7 | -65 | 0 | 0 | 0 | 112.7 | ||||
| 805 | T | 28 | Very low | 28.9 | Very low | 113 Ų | 113 | 122.7 Ų | 122.7 | 69% | 0.693 | 78% | 0.778 | S | S | * | * | trans | -94.8 | 179.3 | 174.5 | 40.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 806 | P | 46.1 | Very low | 29.1 | Very low | 94 Ų | 94 | 127.3 Ų | 127.3 | 61% | 0.61 | 79% | 0.786 | S | S | * | * | cis | -140.5 | -166.2 | -37.1 | 38.2 | -19.1 | 0 | 0 | 0 | 113.5 | ||||
| 807 | D | 27.8 | Very low | 29.2 | Very low | 153 Ų | 153 | 120.5 Ų | 120.5 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 64.5 | 155.3 | 144.5 | -66.3 | -22.6 | 0 | 0 | 0 | 121.3 | ||||
| 808 | A | 27.5 | Very low | 29.4 | Very low | 79 Ų | 79 | 122.7 Ų | 122.7 | 65% | 0.653 | 78% | 0.782 | S | S | * | * | cis | -163.8 | 161 | -23.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 809 | F | 28.1 | Very low | 29.3 | Very low | 215 Ų | 215 | 116 Ų | 116 | 94% | 0.943 | 77% | 0.773 | S | S | * | * | trans | 29.6 | 112.9 | 155.4 | -84.3 | -96.5 | 0 | 0 | 0 | 121.4 | ||||
| 810 | G | 25.6 | Very low | 29.3 | Very low | 72 Ų | 72 | 120.7 Ų | 120.7 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | 111.2 | 173.9 | 111.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 811 | A | 28.3 | Very low | 29.1 | Very low | 115 Ų | 115 | 118.6 Ų | 118.6 | 95% | 0.95 | 78% | 0.777 | S | S | * | * | trans | 69.2 | 148.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 812 | A | 30.7 | Very low | 29 | Very low | 109 Ų | 109 | 119.8 Ų | 119.8 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | trans | -112.9 | 170.8 | -175 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 813 | G | 26.4 | Very low | 29.2 | Very low | 71 Ų | 71 | 125.7 Ų | 125.7 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | 130.4 | 113.4 | 138.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 814 | S | 30.3 | Very low | 29.4 | Very low | 119 Ų | 119 | 126 Ų | 126 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | 48.4 | 116.6 | 135.8 | -178 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 815 | G | 27 | Very low | 29.3 | Very low | 81 Ų | 81 | 123 Ų | 123 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | trans | -139.6 | 125.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 816 | F | 30.1 | Very low | 29.5 | Very low | 198 Ų | 198 | 122.5 Ų | 122.5 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | trans | -97.1 | 163 | 174 | -97.9 | -106 | 0 | 0 | 0 | 111.3 | I818 | F816-I818 HydrophobicContact CD1-CD1 4.3Š| ||
| 817 | G | 28.3 | Very low | 28.7 | Very low | 66 Ų | 66 | 122.9 Ų | 122.9 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | trans | 143.5 | 82 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 818 | I | 30.6 | Very low | 28.9 | Very low | 143 Ų | 143 | 122 Ų | 122 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | 65.1 | 104.2 | 68 | -49.2 | 162.7 | 0 | 0 | 0 | 113.5 | F816 | F816-I818 HydrophobicContact CD1-CD1 4.3Š| |||
| 819 | S | 25.5 | Very low | 29 | Very low | 105 Ų | 105 | 123.2 Ų | 123.2 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | 168.2 | 127.2 | 126.5 | -79.9 | 0 | 0 | 0 | 0 | 117 | |||||
| 820 | Q | 29.1 | Very low | 29.3 | Very low | 180 Ų | 180 | 117.3 Ų | 117.3 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | trans | 58 | 108.6 | 132 | -62.4 | -147.8 | 41.1 | 0 | 0 | 124.3 | ||||
| 821 | S | 26.9 | Very low | 29.4 | Very low | 102 Ų | 102 | 122.4 Ų | 122.4 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | 103 | 147.7 | 106.5 | -157 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 822 | S | 28.1 | Very low | 30 | Very low | 93 Ų | 93 | 127.6 Ų | 127.6 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | trans | 69.4 | 103.9 | 151.2 | 49.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 823 | R | 32.6 | Very low | 30.2 | Very low | 221 Ų | 221 | 127.9 Ų | 127.9 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | 73.1 | 123.5 | 117.6 | -71.4 | -176.9 | 179.4 | -162.5 | 0.3 | 122 | |||||
| 824 | L | 30.7 | Very low | 30.4 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | trans | 68.9 | 155.8 | 134.6 | -61.3 | 172.8 | 0 | 0 | 0 | 117.5 | ||||
| 825 | S | 27.6 | Very low | 30.5 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | cis | -165.8 | 179.9 | -23 | -171.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 826 | S | 31.3 | Very low | 30.8 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | trans | 62.4 | 135.9 | 176 | 53.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 827 | S | 31 | Very low | 30.9 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | cis | 104.2 | 140.9 | 13.9 | 77.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 828 | V | 30.6 | Very low | 31.2 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | trans | 76.9 | 142.7 | 172.4 | -173.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 829 | S | 31.3 | Very low | 31.3 | Very low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | cis | -167.9 | 157.1 | -34.4 | -92.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 830 | A | 33.8 | Very low | 31.6 | Very low | 91 Ų | 91 | 132.6 Ų | 132.6 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | trans | 43 | 118.9 | 148.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 831 | M | 27.8 | Very low | 31.9 | Very low | 179 Ų | 179 | 132.3 Ų | 132.3 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | -177.2 | 136 | 105.6 | -88.8 | -165.6 | -57.8 | 0 | 0 | 107.6 | |||||
| 832 | R | 40.7 | Very low | 32.2 | Very low | 224 Ų | 224 | 135.5 Ų | 135.5 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | cis | 95 | 118.3 | 26.7 | -158.1 | -135.6 | -82 | -173.7 | -3.3 | 113.4 | ||||
| 833 | V | 34.9 | Very low | 32.5 | Very low | 115 Ų | 115 | 135 Ų | 135 | 70% | 0.697 | 77% | 0.769 | S | S | * | * | trans | 75.2 | 112.8 | 169.9 | -165.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 834 | L | 31.3 | Very low | 32.4 | Very low | 171 Ų | 171 | 132.1 Ų | 132.1 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | -155.8 | 171.2 | 107.3 | -103.1 | 171.9 | 0 | 0 | 0 | 110.6 | |||||
| 835 | N | 31.3 | Very low | 32.4 | Very low | 139 Ų | 139 | 128.7 Ų | 128.7 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | trans | -139.5 | 173.8 | -160.2 | -151.9 | 8.7 | 0 | 0 | 0 | 110.8 | ||||
| 836 | T | 34.1 | Very low | 32.5 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | 71.6 | 144.6 | 178.8 | 74.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 837 | G | 31.2 | Very low | 32.4 | Very low | 60 Ų | 60 | 129.2 Ų | 129.2 | 62% | 0.619 | 76% | 0.758 | S | S | * | * | cis | 163.3 | 159.8 | -11.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 838 | S | 34.6 | Very low | 32.2 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | 60.8 | 154.4 | 164.1 | 56.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 839 | D | 33.2 | Very low | 32.1 | Very low | 146 Ų | 146 | 132.2 Ų | 132.2 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | cis | -173.4 | -170.6 | -29.8 | -92 | -39.4 | 0 | 0 | 0 | 107.3 | ||||
| 840 | V | 31.9 | Very low | 32.1 | Very low | 116 Ų | 116 | 136 Ų | 136 | 70% | 0.703 | 76% | 0.756 | S | S | * | * | trans | 76.8 | 106.6 | 162.1 | -170.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 841 | E | 35.1 | Very low | 32.5 | Very low | 174 Ų | 174 | 137.2 Ų | 137.2 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | 64.2 | 155 | 89.6 | -57.7 | 176.1 | 134 | 0 | 0 | 114 | |||||
| 842 | E | 32.3 | Very low | 32.6 | Very low | 170 Ų | 170 | 132.9 Ų | 132.9 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | cis | -156.4 | 172.3 | 13.5 | -150.2 | -162.1 | 142.7 | 0 | 0 | 111.1 | ||||
| 843 | A | 35.6 | Very low | 32.1 | Very low | 83 Ų | 83 | 132.6 Ų | 132.6 | 69% | 0.686 | 75% | 0.748 | S | S | * | * | trans | 65.8 | 163.1 | 145.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 844 | L | 29.3 | Very low | 31.9 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | cis | -172.4 | 142.2 | -33.3 | 174.6 | 62.7 | 0 | 0 | 0 | 108.9 | ||||
| 845 | A | 30.7 | Very low | 31.6 | Very low | 84 Ų | 84 | 138 Ų | 138 | 69% | 0.694 | 74% | 0.744 | S | S | * | * | trans | 63 | 141.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 846 | D | 30.5 | Very low | 31.3 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | cis | 73.6 | 127.9 | 42.4 | -158.7 | 84.9 | 0 | 0 | 0 | 113.7 | ||||
| 847 | A | 29.1 | Very low | 30.8 | Very low | 58 Ų | 58 | 141.4 Ų | 141.4 | 48% | 0.479 | 74% | 0.739 | S | S | . | * | cis | -172.5 | 170.2 | -22.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 848 | L | 26.5 | Very low | 30.5 | Very low | 129 Ų | 129 | 145.8 Ų | 145.8 | 68% | 0.675 | 75% | 0.748 | S | S | * | * | trans | 64.1 | 149.1 | 153.4 | -67.7 | 155.9 | 0 | 0 | 0 | 117.6 | ||||
| 849 | K | 29.4 | Very low | 29.9 | Very low | 171 Ų | 171 | 151.9 Ų | 151.9 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | cis | -135.6 | 159.7 | 10.8 | -72.9 | 88.9 | -172.9 | 167.8 | 0 | 108.1 | ||||
| 850 | K | 30.6 | Very low | 29.7 | Very low | 182 Ų | 182 | 152 Ų | 152 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | 60.9 | 155 | 50.9 | -84 | -179.5 | -179.9 | 171.2 | 0 | 114.4 | |||||
| 851 | P | 43.3 | Very low | 29.5 | Very low | 118 Ų | 118 | 152.8 Ų | 152.8 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | cis | -85.5 | -141.3 | -3 | 39.5 | -38.3 | 0 | 0 | 0 | 111.8 | ||||
| 852 | A | 28.7 | Very low | 29.2 | Very low | 88 Ų | 88 | 154.3 Ų | 154.3 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | cis | -164.1 | 169.5 | 1.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 853 | R | 29.8 | Very low | 29 | Very low | 217 Ų | 217 | 149.7 Ų | 149.7 | 82% | 0.819 | 74% | 0.741 | S | S | * | * | cis | -174.3 | 138.3 | -40.5 | -143.5 | 175.6 | -172.5 | 175.3 | 1.9 | 110.1 | ||||
| 854 | R | 30.8 | Very low | 28.6 | Very low | 212 Ų | 212 | 152.1 Ų | 152.1 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | trans | 75.3 | 146.3 | 167.5 | -73 | 177.1 | 175.1 | 168.4 | -1.1 | 117.9 | ||||
| 855 | R | 26.5 | Very low | 28.9 | Very low | 188 Ų | 188 | 151.7 Ų | 151.7 | 71% | 0.709 | 74% | 0.741 | S | S | * | * | cis | -151.6 | 140 | 4.7 | -123.6 | -150.3 | -161.1 | 110.5 | -5 | 111.8 | ||||
| 856 | Y | 24.5 | Very low | 29.2 | Very low | 189 Ų | 189 | 155.3 Ų | 155.3 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | trans | 65.8 | 146.1 | 146.7 | -83.9 | -125.7 | 0 | 0 | 0 | 118.6 | ||||
| 857 | E | 22.3 | Very low | 29.4 | Very low | 161 Ų | 161 | 151.6 Ų | 151.6 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | cis | -142.7 | 158.9 | -1 | -161.2 | 153.8 | -139.2 | 0 | 0 | 110.7 | ||||
| 858 | N | 25.8 | Very low | 29.5 | Very low | 151 Ų | 151 | 156.1 Ų | 156.1 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | trans | -127.5 | 148.2 | -165.3 | -99.6 | 17 | 0 | 0 | 0 | 113 | ||||
| 859 | Y | 22.6 | Very low | 29.8 | Very low | 239 Ų | 239 | 155.9 Ų | 155.9 | 94% | 0.937 | 76% | 0.764 | S | S | * | * | trans | -169.8 | 105.6 | 139.9 | -114.7 | -69.7 | 0 | 0 | 0 | 113.1 | ||||
| 860 | N | 28.1 | Very low | 30 | Very low | 149 Ų | 149 | 155.2 Ų | 155.2 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | -174.1 | -179.5 | 152.3 | -134.1 | 3.2 | 0 | 0 | 0 | 112.2 | ||||
| 861 | M | 27.9 | Very low | 29.9 | Very low | 133 Ų | 133 | 150.5 Ų | 150.5 | 66% | 0.655 | 76% | 0.764 | S | S | * | * | trans | 83.3 | 126.2 | 175.5 | -63 | -67.2 | 102.5 | 0 | 0 | 115.2 | ||||
| 862 | Y | 28.8 | Very low | 29.4 | Very low | 205 Ų | 205 | 150 Ų | 150 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | 72.1 | 141.8 | 68.7 | -88.8 | -117 | 0 | 0 | 0 | 112.5 | |||||
| 863 | S | 27.3 | Very low | 29.7 | Very low | 74 Ų | 74 | 151.2 Ų | 151.2 | 52% | 0.517 | 77% | 0.767 | S | S | . | * | cis | -159.9 | 172.3 | 1.7 | -141.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 864 | D | 28.6 | Very low | 29.7 | Very low | 134 Ų | 134 | 144.5 Ų | 144.5 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | trans | 52.2 | 130.1 | 146.5 | -51.8 | -38.2 | 0 | 0 | 0 | 124.4 | ||||
| 865 | D | 34.8 | Very low | 30.1 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | 62.7 | 132.5 | 133.7 | -69.3 | -24.4 | 0 | 0 | 0 | 126.3 | ||||
| 866 | D | 37.3 | Very low | 30.3 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | 88 | 153.1 | 137.9 | -111 | -30.4 | 0 | 0 | 0 | 124.7 | ||||
| 867 | A | 34.7 | Very low | 30.6 | Very low | 77 Ų | 77 | 136.8 Ų | 136.8 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | trans | 72.4 | 112.7 | 166 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 868 | N | 31.6 | Very low | 31 | Very low | 152 Ų | 152 | 140 Ų | 140 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | 49.4 | 117.8 | 138.8 | -65.9 | -17.8 | 0 | 0 | 0 | 121.1 | ||||
| 869 | S | 33.2 | Very low | 31.1 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | 176.6 | 153.9 | 92.5 | -74.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 870 | D | 31.7 | Very low | 31.4 | Very low | 157 Ų | 157 | 136.2 Ų | 136.2 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | trans | -105.8 | 144.1 | 175.3 | -150.5 | -17.9 | 0 | 0 | 0 | 110.8 | ||||
| 871 | A | 30.2 | Very low | 31.4 | Very low | 84 Ų | 84 | 134 Ų | 134 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | trans | 57 | 159.6 | 168 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 872 | S | 33.2 | Very low | 31.4 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | cis | -146.1 | 163.5 | 6 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 873 | S | 33.4 | Very low | 31.4 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | 133.9 | 152.2 | 128.4 | -61 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 874 | A | 31.4 | Very low | 31.5 | Very low | 76 Ų | 76 | 137.2 Ų | 137.2 | 63% | 0.628 | 78% | 0.778 | S | S | * | * | cis | -168.1 | 163.1 | -27.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 875 | C | 38.2 | Very low | 31.4 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 88% | 0.878 | 78% | 0.779 | S | S | * | * | trans | -96.3 | 144.1 | -175.8 | -54.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 876 | S | 31.7 | Very low | 31 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | -175.1 | 109.7 | 149.8 | -178.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 877 | E | 30.2 | Very low | 30.6 | Very low | 187 Ų | 187 | 127.7 Ų | 127.7 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | 80.8 | 139.9 | 65.7 | -70.5 | -150.4 | 109.8 | 0 | 0 | 116.4 | |||||
| 878 | R | 29.7 | Very low | 30.4 | Very low | 230 Ų | 230 | 131.8 Ų | 131.8 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | trans | -74.1 | 153.5 | 175.3 | -74.1 | 175.6 | 166.5 | -159.7 | -3.1 | 110.6 | ||||
| 879 | S | 28.4 | Very low | 30.5 | Very low | 92 Ų | 92 | 128.9 Ų | 128.9 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | cis | -162.6 | -147.6 | -10.8 | -81.8 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 880 | Y | 29.8 | Very low | 30.6 | Very low | 218 Ų | 218 | 129.4 Ų | 129.4 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | cis | -161.1 | -149.8 | 10 | -132.8 | -36.8 | 0 | 0 | 0 | 111.1 | ||||
| 881 | S | 28 | Very low | 30.8 | Very low | 101 Ų | 101 | 131.3 Ų | 131.3 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | -102.5 | 179.3 | -173.4 | 67.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 882 | S | 28.2 | Very low | 30.8 | Very low | 96 Ų | 96 | 133.8 Ų | 133.8 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | cis | -152.6 | 163.8 | 13.2 | -151 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 883 | R | 27.6 | Very low | 30.9 | Very low | 238 Ų | 238 | 139.5 Ų | 139.5 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | cis | -124.7 | 153.9 | 25.2 | -66 | 172.3 | -174.8 | 154.3 | 1.8 | 110.2 | ||||
| 884 | N | 30.6 | Very low | 31.2 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | cis | 84 | 120.6 | 36.6 | -160.3 | 69 | 0 | 0 | 0 | 113.9 | ||||
| 885 | G | 25.7 | Very low | 31.7 | Very low | 71 Ų | 71 | 143.6 Ų | 143.6 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | cis | -154.5 | -176.6 | 8.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 886 | G | 26.2 | Very low | 32.4 | Very low | 69 Ų | 69 | 142.3 Ų | 142.3 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | cis | -154.8 | -145.7 | 10.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 887 | A | 29.5 | Very low | 34.3 | Very low | 102 Ų | 102 | 141.9 Ų | 141.9 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | trans | 83.6 | 70.2 | -169 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 888 | I | 30.3 | Very low | 36.5 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 84% | 0.841 | 72% | 0.723 | S | S | * | * | trans | 26.9 | 138.3 | 133 | -60.7 | 176.4 | 0 | 0 | 0 | 119.6 | ||||
| 889 | P | 33.6 | Very low | 38.7 | Very low | 91 Ų | 91 | 128 Ų | 128 | 59% | 0.591 | 70% | 0.703 | S | S | * | * | trans | -92.9 | 149.8 | -158.1 | 1.3 | 20.2 | 0 | 0 | 0 | 115.9 | Y891 | P889-Y891 HydrophobicContact CB-CD1 4.02Å; P889-Y891 HydrophobicContact CB-CE1 4.07Å; P889-Y891 HydrophobicContact CG-CE1 4.13Å; P889-Y891 PolarHBondContact O-N 3.17Å; P889-Y891 VanDerWaalsContact O-N 3.17Å | ||
| 890 | T | 35.2 | Very low | 41.2 | Very low | 134 Ų | 134 | 128.3 Ų | 128.3 | 82% | 0.822 | 70% | 0.695 | S | S | * | * | trans | -83.5 | 21.2 | -169 | -19.2 | 0 | 0 | 0 | 0 | 116.8 | M892 | T890-M892 PolarHBondContact O-N 3.05Š| ||
| 891 | Y | 35.2 | Very low | 43.9 | Very low | 197 Ų | 197 | 118.2 Ų | 118.2 | 77% | 0.773 | 66% | 0.656 | S | S | * | * | trans | -80.1 | 28.1 | 174.9 | 66.1 | -94.3 | 0 | 0 | 0 | 114.1 | P889 | P889-Y891 HydrophobicContact CB-CD1 4.02Å; P889-Y891 HydrophobicContact CB-CE1 4.07Å; P889-Y891 HydrophobicContact CG-CE1 4.13Å; P889-Y891 PolarHBondContact O-N 3.17Å; P889-Y891 VanDerWaalsContact O-N 3.17Å | ||
| 892 | M | 30.7 | Very low | 46.6 | Very low | 137 Ų | 137 | 117.8 Ų | 117.8 | 68% | 0.675 | 65% | 0.645 | S | S | * | * | trans | -144.6 | 71.6 | 168.5 | -88.4 | -61.1 | 169.6 | 0 | 0 | 112.7 | T890 Q894 | T890-M892 PolarHBondContact O-N 3.05Å; M892-Q894 HydrophobicContact SD-CG 4Å; M892-Q894 PolarHBondContact SD-NE2 3.34Å | ||
| 893 | R | 35.3 | Very low | 49.5 | Very low | 226 Ų | 226 | 119.1 Ų | 119.1 | 85% | 0.853 | 65% | 0.645 | S | S | * | * | trans | -131.9 | 116.8 | 137.4 | -89.4 | -171.4 | 168.9 | -168.8 | -4 | 104.7 | ||||
| 894 | Q | 39 | Very low | 52.5 | Low | 151 Ų | 151 | 112.9 Ų | 112.9 | 71% | 0.706 | 62% | 0.621 | S | S | * | * | cis | 43.2 | 73.3 | 33.9 | -59.9 | -166.6 | 16.5 | 0 | 0 | 109.6 | M892 | M892-Q894 HydrophobicContact SD-CG 4Å; M892-Q894 PolarHBondContact SD-NE2 3.34Å | ||
| 895 | T | 42.1 | Very low | 55.3 | Low | 125 Ų | 125 | 107.2 Ų | 107.2 | 77% | 0.767 | 59% | 0.593 | S | S | * | * | cis | -156 | 148.7 | 40.9 | 42.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 896 | E | 54.3 | Low | 58 | Low | 103 Ų | 103 | 107.8 Ų | 107.8 | 48% | 0.481 | 59% | 0.591 | S | S | . | * | trans | -63.7 | 134.5 | 154.2 | -65.2 | 179.4 | 163.4 | 0 | 0 | 107.5 | V898 V901 G919 | E896-V898 PolarHBondContact O-N 3.11Å; E896-V901 HydrophobicContact CB-CG2 3.75Å; E896-G919 WeakPolarHBondContact OE2-CA 3.5Å | ||
| 897 | D | 70.8 | Confident | 61 | Low | 100 Ų | 100 | 105.6 Ų | 105.6 | 54% | 0.535 | 56% | 0.564 | S | S | . | * | trans | -67.8 | 123.9 | 177.7 | -167 | -30.2 | 0 | 0 | 0 | 108.8 | A899 E900 V901 | D897-A899 PolarHBondContact O-N 3.44Å; D897-A899 WeakPolarHBondContact OD1-CB 3.24Å; D897-A899 PolarHBondContact OD1-N 3.31Å; D897-E900 HydrophobicContact CB-CB 4.14Å; D897-E900 PolarHBondContact O-N 3.41Å; D897-V901 WeakPolarHBondContact O-CG2 3.33Å; D897-V901 PolarHBondContact O-N 3.32Å | ||
| 898 | V | 75.9 | Confident | 63.2 | Low | 70 Ų | 70 | 105.3 Ų | 105.3 | 42% | 0.424 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -58.2 | -33 | -179.8 | -178 | 0 | 0 | 0 | 0 | 110.4 | E896 L902 L923 | E896-V898 PolarHBondContact O-N 3.11Å; V898-L902 HydrophobicContact CG1-CD1 3.86Å; V898-L902 HydrophobicContact CG1-CG 4.27Å; V898-L902 VanDerWaalsContact O-CB 3.31Å; V898-L902 WeakPolarHBondContact O-CB 3.32Å; V898-L902 WeakPolarHBondContact O-CG 3.45Å; V898-L902 PolarHBondContact O-N 3.11Å; V898-L923 HydrophobicContact CG2-CD1 3.88Å; V898-L923 HydrophobicContact CG2-CD2 4.33Å |
| 899 | A | 76.2 | Confident | 65.6 | Low | 55 Ų | 55 | 100.7 Ų | 100.7 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D897 N903 | D897-A899 PolarHBondContact O-N 3.44Å; D897-A899 WeakPolarHBondContact OD1-CB 3.24Å; D897-A899 PolarHBondContact OD1-N 3.31Å; A899-N903 WeakPolarHBondContact O-CB 3.32Å; A899-N903 PolarHBondContact O-N 2.92Å |
| 900 | E | 81.1 | Confident | 68.1 | Low | 100 Ų | 100 | 105.2 Ų | 105.2 | 47% | 0.467 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71.8 | -42.6 | 177.3 | -167.9 | -179.5 | -177.8 | 0 | 0 | 111.5 | D897 L902 N903 R904 | D897-E900 HydrophobicContact CB-CB 4.14Å; D897-E900 PolarHBondContact O-N 3.41Å; E900-L902 VanDerWaalsContact C-N 3.34Å; E900-L902 PolarHBondContact O-N 2.84Å; E900-N903 PolarHBondContact O-N 3.3Å; E900-R904 WeakPolarHBondContact O-CB 3.33Å; E900-R904 VanDerWaalsContact O-CG 3.3Å; E900-R904 WeakPolarHBondContact O-CG 3.22Å; E900-R904 PolarHBondContact O-N 2.89Å; E900-R904 IonicContact OE1-CZ 3.38Å; E900-R904 IonicContact OE1-NE 3.34Å; E900-R904 PolarHBondContact OE1-NE 2.83Å; E900-R904 IonicContact OE1-NH2 3.69Å; E900-R904 PolarHBondContact OE1-NH2 2.98Å |
| 901 | V | 85.8 | Confident | 70.1 | Confident | 6 Ų | 6 | 101.6 Ų | 101.6 | 4% | 0.036 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -60 | -43.6 | 175 | 173.6 | 0 | 0 | 0 | 0 | 111 | E896 D897 R904 C905 L920 L923 | E896-V901 HydrophobicContact CB-CG2 3.75Å; D897-V901 WeakPolarHBondContact O-CG2 3.33Å; D897-V901 PolarHBondContact O-N 3.32Å; V901-R904 PolarHBondContact O-N 2.9Å; V901-C905 PolarHBondContact O-N 3.28Å; V901-C905 PolarHBondContact O-SG 2.79Å; V901-L920 HydrophobicContact CG1-CB 3.71Å; V901-L920 HydrophobicContact CG1-CD1 4.29Å; V901-L923 HydrophobicContact CG2-CD1 4.3Å |
| 902 | L | 85.8 | Confident | 72.6 | Confident | 92 Ų | 92 | 96.4 Ų | 96.4 | 48% | 0.482 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.7 | -40.7 | 177.2 | -71.1 | 173.1 | 0 | 0 | 0 | 112.7 | V898 E900 R904 C905 A906 | V898-L902 HydrophobicContact CG1-CD1 3.86Å; V898-L902 HydrophobicContact CG1-CG 4.27Å; V898-L902 VanDerWaalsContact O-CB 3.31Å; V898-L902 WeakPolarHBondContact O-CB 3.32Å; V898-L902 WeakPolarHBondContact O-CG 3.45Å; V898-L902 PolarHBondContact O-N 3.11Å; E900-L902 VanDerWaalsContact C-N 3.34Å; E900-L902 PolarHBondContact O-N 2.84Å; L902-R904 VanDerWaalsContact C-N 3.33Å; L902-R904 PolarHBondContact O-N 2.95Å; L902-C905 WeakPolarHBondContact O-CB 3.32Å; L902-C905 PolarHBondContact O-N 3.16Å; L902-A906 WeakPolarHBondContact O-CB 3.12Å; L902-A906 PolarHBondContact O-N 3.06Å |
| 903 | N | 89.4 | Confident | 75.5 | Confident | 123 Ų | 123 | 94.4 Ų | 94.4 | 66% | 0.658 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.1 | -42.8 | 173 | -87.3 | -13.4 | 0 | 0 | 0 | 111.7 | A899 E900 A906 S907 | A899-N903 WeakPolarHBondContact O-CB 3.32Å; A899-N903 PolarHBondContact O-N 2.92Å; E900-N903 PolarHBondContact O-N 3.3Å; N903-A906 PolarHBondContact O-N 3.4Å; N903-S907 PolarHBondContact O-N 3.29Å; N903-S907 VanDerWaalsContact O-N 3.11Å |
| 904 | R | 89.3 | Confident | 78.1 | Confident | 108 Ų | 108 | 87.9 Ų | 87.9 | 41% | 0.408 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 174.5 | -70.3 | 173.7 | -175.4 | -150.5 | 5.9 | 111.4 | E900 V901 L902 A906 S907 R913 | E900-R904 WeakPolarHBondContact O-CB 3.33Å; E900-R904 VanDerWaalsContact O-CG 3.3Å; E900-R904 WeakPolarHBondContact O-CG 3.22Å; E900-R904 PolarHBondContact O-N 2.89Å; E900-R904 IonicContact OE1-CZ 3.38Å; E900-R904 IonicContact OE1-NE 3.34Å; E900-R904 PolarHBondContact OE1-NE 2.83Å; E900-R904 IonicContact OE1-NH2 3.69Å; E900-R904 PolarHBondContact OE1-NH2 2.98Å; V901-R904 PolarHBondContact O-N 2.9Å; L902-R904 VanDerWaalsContact C-N 3.33Å; L902-R904 PolarHBondContact O-N 2.95Å; R904-A906 VanDerWaalsContact C-N 3.27Å; R904-A906 PolarHBondContact O-N 3.39Å; R904-S907 WeakPolarHBondContact O-CB 3.44Å; R904-S907 PolarHBondContact O-N 3.37Å; R904-S907 VanDerWaalsContact O-N 3.16Å; R904-R913 VanDerWaalsContact O-CA 3.31Å; R904-R913 WeakPolarHBondContact O-CA 3.26Å |
| 905 | C | 90 | Very high | 80.3 | Confident | 28 Ų | 28 | 84.9 Ų | 84.9 | 19% | 0.189 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -60.1 | -33.6 | 172.8 | -69.3 | 0 | 0 | 0 | 0 | 113.4 | V901 L902 G916 | V901-C905 PolarHBondContact O-N 3.28Å; V901-C905 PolarHBondContact O-SG 2.79Å; L902-C905 WeakPolarHBondContact O-CB 3.32Å; L902-C905 PolarHBondContact O-N 3.16Å; C905-G916 PolarHBondContact SG-O 2.95Å; C905-G916 VanDerWaalsContact SG-O 3.36Å |
| 906 | A | 81.9 | Confident | 82.7 | Confident | 83 Ų | 83 | 79 Ų | 79 | 69% | 0.686 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -81 | -11 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L902 N903 R904 | L902-A906 WeakPolarHBondContact O-CB 3.12Å; L902-A906 PolarHBondContact O-N 3.06Å; N903-A906 PolarHBondContact O-N 3.4Å; R904-A906 VanDerWaalsContact C-N 3.27Å; R904-A906 PolarHBondContact O-N 3.39Å |
| 907 | S | 89.6 | Confident | 84.4 | Confident | 22 Ų | 22 | 78.6 Ų | 78.6 | 15% | 0.154 | 42% | 0.421 | C | S | . | . | trans | -61.4 | 142.2 | -176 | -176.5 | 0 | 0 | 0 | 0 | 112.7 | N903 R904 N909 E912 R913 | N903-S907 PolarHBondContact O-N 3.29Å; N903-S907 VanDerWaalsContact O-N 3.11Å; R904-S907 WeakPolarHBondContact O-CB 3.44Å; R904-S907 PolarHBondContact O-N 3.37Å; R904-S907 VanDerWaalsContact O-N 3.16Å; S907-N909 VanDerWaalsContact C-N 3.26Å; S907-N909 PolarHBondContact O-N 2.73Å; S907-N909 PolarHBondContact OG-N 3.47Å; S907-N909 VanDerWaalsContact OG-N 3.11Å; S907-E912 VanDerWaalsContact CB-OE2 3.27Å; S907-E912 WeakPolarHBondContact CB-OE2 3.42Å; S907-E912 PolarHBondContact OG-OE2 2.97Å; S907-R913 VanDerWaalsContact O-CZ 3.31Å; S907-R913 PolarHBondContact O-NE 3.3Å; S907-R913 PolarHBondContact O-NH2 3.1Å | ||
| 908 | A | 76.6 | Confident | 85.2 | Confident | 96 Ų | 96 | 77.7 Ų | 77.7 | 79% | 0.793 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -66.1 | -29 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R913 | A908-R913 VanDerWaalsContact C-NH2 3.31Å; A908-R913 PolarHBondContact O-NH2 2.78Å |
| 909 | N | 80.4 | Confident | 85.7 | Confident | 68 Ų | 68 | 74.7 Ų | 74.7 | 36% | 0.364 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -73.1 | 126.1 | 179.3 | -178.6 | -4.4 | 0 | 0 | 0 | 111 | S907 S911 E912 R913 | S907-N909 VanDerWaalsContact C-N 3.26Å; S907-N909 PolarHBondContact O-N 2.73Å; S907-N909 PolarHBondContact OG-N 3.47Å; S907-N909 VanDerWaalsContact OG-N 3.11Å; N909-S911 VanDerWaalsContact C-N 3.31Å; N909-S911 VanDerWaalsContact CG-OG 3.24Å; N909-S911 PolarHBondContact ND2-OG 2.8Å; N909-S911 VanDerWaalsContact ND2-OG 3.1Å; N909-S911 PolarHBondContact O-N 3.03Å; N909-S911 PolarHBondContact OD1-N 2.98Å; N909-S911 PolarHBondContact OD1-OG 3.27Å; N909-E912 HydrophobicContact CB-CB 4.25Å; N909-E912 HydrophobicContact CB-CG 4.27Å; N909-E912 PolarHBondContact ND2-OE1 3.48Å; N909-R913 WeakPolarHBondContact O-CB 3.29Å; N909-R913 PolarHBondContact O-N 3.33Å |
| 910 | W | 86.5 | Confident | 86.1 | Confident | 185 Ų | 185 | 74.4 Ų | 74.4 | 70% | 0.701 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62.9 | -35 | -179.5 | 179.8 | 89.6 | 0 | 0 | 0 | 113.2 | R913 K914 | W910-R913 PolarHBondContact O-N 3.44Å; W910-K914 HydrophobicContact CH2-CD 3.65Å; W910-K914 HydrophobicContact CZ2-CD 4.18Å; W910-K914 HydrophobicContact CZ3-CD 3.92Å; W910-K914 WeakPolarHBondContact O-CB 3.29Å; W910-K914 PolarHBondContact O-N 3.48Å |
| 911 | S | 76.8 | Confident | 86.1 | Confident | 58 Ų | 58 | 74.2 Ų | 74.2 | 41% | 0.406 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.3 | -48.9 | -179.2 | 59.3 | 0 | 0 | 0 | 0 | 111.7 | N909 R913 K914 E915 | N909-S911 VanDerWaalsContact C-N 3.31Å; N909-S911 VanDerWaalsContact CG-OG 3.24Å; N909-S911 PolarHBondContact ND2-OG 2.8Å; N909-S911 VanDerWaalsContact ND2-OG 3.1Å; N909-S911 PolarHBondContact O-N 3.03Å; N909-S911 PolarHBondContact OD1-N 2.98Å; N909-S911 PolarHBondContact OD1-OG 3.27Å; S911-R913 PolarHBondContact O-N 2.89Å; S911-K914 WeakPolarHBondContact O-CB 3.34Å; S911-K914 PolarHBondContact O-N 3.26Å; S911-E915 WeakPolarHBondContact O-CG 3.4Å; S911-E915 PolarHBondContact O-N 3.48Å |
| 912 | E | 86.1 | Confident | 85.8 | Confident | 89 Ų | 89 | 75.6 Ų | 75.6 | 42% | 0.416 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 172.8 | -69.9 | 160.3 | -140.6 | 0 | 0 | 111.8 | S907 N909 K914 E915 G916 | S907-E912 VanDerWaalsContact CB-OE2 3.27Å; S907-E912 WeakPolarHBondContact CB-OE2 3.42Å; S907-E912 PolarHBondContact OG-OE2 2.97Å; N909-E912 HydrophobicContact CB-CB 4.25Å; N909-E912 HydrophobicContact CB-CG 4.27Å; N909-E912 PolarHBondContact ND2-OE1 3.48Å; E912-K914 VanDerWaalsContact C-N 3.33Å; E912-K914 PolarHBondContact O-N 2.95Å; E912-E915 PolarHBondContact O-N 3.38Å; E912-G916 PolarHBondContact O-N 3.28Å |
| 913 | R | 93.1 | Very high | 85.5 | Confident | 94 Ų | 94 | 72.4 Ų | 72.4 | 36% | 0.355 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 176.4 | -166.7 | -177.5 | -52.9 | 141.9 | 11.4 | 112.3 | R904 S907 A908 N909 W910 S911 G916 L917 | R904-R913 VanDerWaalsContact O-CA 3.31Å; R904-R913 WeakPolarHBondContact O-CA 3.26Å; S907-R913 VanDerWaalsContact O-CZ 3.31Å; S907-R913 PolarHBondContact O-NE 3.3Å; S907-R913 PolarHBondContact O-NH2 3.1Å; A908-R913 VanDerWaalsContact C-NH2 3.31Å; A908-R913 PolarHBondContact O-NH2 2.78Å; N909-R913 WeakPolarHBondContact O-CB 3.29Å; N909-R913 PolarHBondContact O-N 3.33Å; W910-R913 PolarHBondContact O-N 3.44Å; S911-R913 PolarHBondContact O-N 2.89Å; R913-G916 PolarHBondContact O-N 3.18Å; R913-L917 HydrophobicContact CG-CD1 4.24Å; R913-L917 WeakPolarHBondContact O-CB 3.41Å; R913-L917 VanDerWaalsContact O-CG 3.26Å; R913-L917 WeakPolarHBondContact O-CG 3.31Å; R913-L917 PolarHBondContact O-N 2.92Å |
| 914 | K | 89.2 | Confident | 85 | Confident | 89 Ų | 89 | 69.3 Ų | 69.3 | 39% | 0.387 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.7 | -48.3 | 174.1 | 173.7 | -179.7 | 160.2 | -74.5 | 0 | 111.2 | W910 S911 E912 L917 L918 | W910-K914 HydrophobicContact CH2-CD 3.65Å; W910-K914 HydrophobicContact CZ2-CD 4.18Å; W910-K914 HydrophobicContact CZ3-CD 3.92Å; W910-K914 WeakPolarHBondContact O-CB 3.29Å; W910-K914 PolarHBondContact O-N 3.48Å; S911-K914 WeakPolarHBondContact O-CB 3.34Å; S911-K914 PolarHBondContact O-N 3.26Å; E912-K914 VanDerWaalsContact C-N 3.33Å; E912-K914 PolarHBondContact O-N 2.95Å; K914-L917 PolarHBondContact O-N 3.36Å; K914-L918 HydrophobicContact CG-CD1 4.16Å; K914-L918 WeakPolarHBondContact O-CG 3.37Å; K914-L918 PolarHBondContact O-N 3.04Å |
| 915 | E | 85.2 | Confident | 84.1 | Confident | 88 Ų | 88 | 70 Ų | 70 | 41% | 0.411 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.8 | -37.5 | 178.5 | -63.6 | -54.1 | 120.3 | 0 | 0 | 112.1 | S911 E912 L918 G919 | S911-E915 WeakPolarHBondContact O-CG 3.4Å; S911-E915 PolarHBondContact O-N 3.48Å; E912-E915 PolarHBondContact O-N 3.38Å; E915-L918 PolarHBondContact O-N 2.67Å; E915-G919 PolarHBondContact O-N 3.34Å |
| 916 | G | 92.5 | Very high | 83.1 | Confident | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.01 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | C905 E912 R913 L918 G919 L920 | C905-G916 PolarHBondContact SG-O 2.95Å; C905-G916 VanDerWaalsContact SG-O 3.36Å; E912-G916 PolarHBondContact O-N 3.28Å; R913-G916 PolarHBondContact O-N 3.18Å; G916-L918 VanDerWaalsContact C-N 3.34Å; G916-L918 PolarHBondContact O-N 2.92Å; G916-G919 PolarHBondContact O-N 2.96Å; G916-L920 VanDerWaalsContact O-CB 3.29Å; G916-L920 WeakPolarHBondContact O-CB 3.48Å; G916-L920 PolarHBondContact O-N 3.48Å |
| 917 | L | 89.5 | Confident | 82.4 | Confident | 96 Ų | 96 | 77.2 Ų | 77.2 | 50% | 0.503 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67 | -32.8 | 176.5 | -73.3 | 168.9 | 0 | 0 | 0 | 112.8 | R913 K914 Q921 | R913-L917 HydrophobicContact CG-CD1 4.24Å; R913-L917 WeakPolarHBondContact O-CB 3.41Å; R913-L917 VanDerWaalsContact O-CG 3.26Å; R913-L917 WeakPolarHBondContact O-CG 3.31Å; R913-L917 PolarHBondContact O-N 2.92Å; K914-L917 PolarHBondContact O-N 3.36Å; L917-Q921 WeakPolarHBondContact O-CB 3.43Å; L917-Q921 PolarHBondContact O-N 3.36Å |
| 918 | L | 87.4 | Confident | 80.7 | Confident | 81 Ų | 81 | 85.2 Ų | 85.2 | 42% | 0.424 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -69.8 | -45 | 173.8 | -72.7 | 170.1 | 0 | 0 | 0 | 111.7 | K914 E915 G916 Q921 A922 | K914-L918 HydrophobicContact CG-CD1 4.16Å; K914-L918 WeakPolarHBondContact O-CG 3.37Å; K914-L918 PolarHBondContact O-N 3.04Å; E915-L918 PolarHBondContact O-N 2.67Å; G916-L918 VanDerWaalsContact C-N 3.34Å; G916-L918 PolarHBondContact O-N 2.92Å; L918-Q921 PolarHBondContact O-N 3.46Å; L918-A922 PolarHBondContact O-N 2.56Å |
| 919 | G | 87.4 | Confident | 79.7 | Confident | 6 Ų | 6 | 85 Ų | 85 | 6% | 0.062 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -59.2 | -48 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E896 E915 G916 Q921 A922 L923 | E896-G919 WeakPolarHBondContact OE2-CA 3.5Å; E915-G919 PolarHBondContact O-N 3.34Å; G916-G919 PolarHBondContact O-N 2.96Å; G919-Q921 VanDerWaalsContact C-N 3.32Å; G919-Q921 PolarHBondContact O-N 3.22Å; G919-A922 CarbonylContact O-C 3.55Å; G919-A922 WeakPolarHBondContact O-CB 3.3Å; G919-A922 PolarHBondContact O-N 3.35Å; G919-L923 WeakPolarHBondContact O-CB 3.47Å; G919-L923 PolarHBondContact O-N 3.16Å |
| 920 | L | 84.7 | Confident | 78.2 | Confident | 50 Ų | 50 | 87.3 Ų | 87.3 | 26% | 0.262 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.1 | -41.1 | 175.8 | -174.5 | 62.7 | 0 | 0 | 0 | 112.1 | V901 G916 L923 L924 | V901-L920 HydrophobicContact CG1-CB 3.71Å; V901-L920 HydrophobicContact CG1-CD1 4.29Å; G916-L920 VanDerWaalsContact O-CB 3.29Å; G916-L920 WeakPolarHBondContact O-CB 3.48Å; G916-L920 PolarHBondContact O-N 3.48Å; L920-L923 PolarHBondContact O-N 3.11Å; L920-L924 HydrophobicContact CD1-CD1 4.36Å; L920-L924 HydrophobicContact CD1-CG 4.45Å; L920-L924 HydrophobicContact CG-CD1 4.12Å; L920-L924 WeakPolarHBondContact O-CB 3.27Å; L920-L924 VanDerWaalsContact O-CG 3.29Å; L920-L924 WeakPolarHBondContact O-CG 3.37Å; L920-L924 PolarHBondContact O-N 3.5Å |
| 921 | Q | 81.6 | Confident | 76 | Confident | 95 Ų | 95 | 88.5 Ų | 88.5 | 44% | 0.444 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 174.5 | -168.2 | -167.6 | 96.8 | 0 | 0 | 111.8 | L917 L918 G919 K925 | L917-Q921 WeakPolarHBondContact O-CB 3.43Å; L917-Q921 PolarHBondContact O-N 3.36Å; L918-Q921 PolarHBondContact O-N 3.46Å; G919-Q921 VanDerWaalsContact C-N 3.32Å; G919-Q921 PolarHBondContact O-N 3.22Å; Q921-K925 HydrophobicContact CG-CD 4.16Å; Q921-K925 VanDerWaalsContact O-CB 3.32Å; Q921-K925 WeakPolarHBondContact O-CB 3.43Å; Q921-K925 VanDerWaalsContact O-CG 3.24Å; Q921-K925 WeakPolarHBondContact O-CG 3.36Å; Q921-K925 PolarHBondContact O-N 3.46Å |
| 922 | A | 78.3 | Confident | 74.4 | Confident | 35 Ų | 35 | 91.3 Ų | 91.3 | 29% | 0.289 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L918 G919 K925 N926 | L918-A922 PolarHBondContact O-N 2.56Å; G919-A922 CarbonylContact O-C 3.55Å; G919-A922 WeakPolarHBondContact O-CB 3.3Å; G919-A922 PolarHBondContact O-N 3.35Å; A922-K925 PolarHBondContact O-N 3.16Å; A922-N926 VanDerWaalsContact O-CB 3.22Å; A922-N926 WeakPolarHBondContact O-CB 3.2Å; A922-N926 PolarHBondContact O-N 3.01Å; A922-N926 PolarHBondContact O-ND2 2.95Å; A922-N926 VanDerWaalsContact O-ND2 3.11Å |
| 923 | L | 80.3 | Confident | 72 | Confident | 25 Ų | 25 | 91.4 Ų | 91.4 | 13% | 0.131 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -65 | -46.1 | -179.9 | -153.1 | 152.2 | 0 | 0 | 0 | 111.1 | V898 V901 G919 L920 N926 Q927 | V898-L923 HydrophobicContact CG2-CD1 3.88Å; V898-L923 HydrophobicContact CG2-CD2 4.33Å; V901-L923 HydrophobicContact CG2-CD1 4.3Å; G919-L923 WeakPolarHBondContact O-CB 3.47Å; G919-L923 PolarHBondContact O-N 3.16Å; L920-L923 PolarHBondContact O-N 3.11Å; L923-N926 PolarHBondContact O-N 2.93Å; L923-Q927 HydrophobicContact CD2-CG 4.32Å; L923-Q927 WeakPolarHBondContact O-CB 3.31Å; L923-Q927 WeakPolarHBondContact O-CG 3.44Å; L923-Q927 PolarHBondContact O-N 2.93Å |
| 924 | L | 78 | Confident | 69.4 | Low | 59 Ų | 59 | 96.1 Ų | 96.1 | 31% | 0.309 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.5 | -35.6 | 174.5 | -69.5 | 170.3 | 0 | 0 | 0 | 113.6 | L920 R928 T929 L930 | L920-L924 HydrophobicContact CD1-CD1 4.36Å; L920-L924 HydrophobicContact CD1-CG 4.45Å; L920-L924 HydrophobicContact CG-CD1 4.12Å; L920-L924 WeakPolarHBondContact O-CB 3.27Å; L920-L924 VanDerWaalsContact O-CG 3.29Å; L920-L924 WeakPolarHBondContact O-CG 3.37Å; L920-L924 PolarHBondContact O-N 3.5Å; L924-R928 PolarHBondContact O-N 2.95Å; L924-T929 PolarHBondContact O-N 2.94Å; L924-T929 VanDerWaalsContact O-N 3.16Å; L924-T929 PolarHBondContact O-OG1 2.75Å; L924-L930 HydrophobicContact CB-CD1 4.21Å |
| 925 | K | 70.9 | Confident | 68.4 | Low | 121 Ų | 121 | 96.5 Ų | 96.5 | 53% | 0.526 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67 | -47.4 | 172.9 | -78.9 | 171.9 | 172.6 | 176.3 | 0 | 111.3 | Q921 A922 R928 | Q921-K925 HydrophobicContact CG-CD 4.16Å; Q921-K925 VanDerWaalsContact O-CB 3.32Å; Q921-K925 WeakPolarHBondContact O-CB 3.43Å; Q921-K925 VanDerWaalsContact O-CG 3.24Å; Q921-K925 WeakPolarHBondContact O-CG 3.36Å; Q921-K925 PolarHBondContact O-N 3.46Å; A922-K925 PolarHBondContact O-N 3.16Å; K925-R928 PolarHBondContact O-N 3.19Å; K925-R928 VanDerWaalsContact O-N 3.11Å |
| 926 | N | 68 | Low | 67.5 | Low | 135 Ų | 135 | 96.9 Ų | 96.9 | 72% | 0.722 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.4 | -36 | -176.7 | -71 | -25.8 | 0 | 0 | 0 | 112.5 | A922 L923 R928 | A922-N926 VanDerWaalsContact O-CB 3.22Å; A922-N926 WeakPolarHBondContact O-CB 3.2Å; A922-N926 PolarHBondContact O-N 3.01Å; A922-N926 PolarHBondContact O-ND2 2.95Å; A922-N926 VanDerWaalsContact O-ND2 3.11Å; L923-N926 PolarHBondContact O-N 2.93Å; N926-R928 PolarHBondContact O-N 3.11Å |
| 927 | Q | 67.8 | Low | 66.1 | Low | 129 Ų | 129 | 102.2 Ų | 102.2 | 60% | 0.603 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | 2.5 | 172.6 | -68.1 | -173.9 | -4.6 | 0 | 0 | 113.8 | L923 T929 | L923-Q927 HydrophobicContact CD2-CG 4.32Å; L923-Q927 WeakPolarHBondContact O-CB 3.31Å; L923-Q927 WeakPolarHBondContact O-CG 3.44Å; L923-Q927 PolarHBondContact O-N 2.93Å; Q927-T929 PolarHBondContact O-N 3.2Å |
| 928 | R | 53.5 | Low | 64.7 | Low | 189 Ų | 189 | 102.6 Ų | 102.6 | 71% | 0.713 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.3 | 16 | 178.5 | -57 | 175.4 | 169.7 | 176.5 | -2.8 | 114.9 | L924 K925 N926 L930 | L924-R928 PolarHBondContact O-N 2.95Å; K925-R928 PolarHBondContact O-N 3.19Å; K925-R928 VanDerWaalsContact O-N 3.11Å; N926-R928 PolarHBondContact O-N 3.11Å; R928-L930 PolarHBondContact O-N 2.9Å |
| 929 | T | 56.3 | Low | 63.3 | Low | 91 Ų | 91 | 103.9 Ų | 103.9 | 56% | 0.558 | 56% | 0.559 | S | S | * | * | trans | -68.5 | -19.5 | -179.7 | -6.4 | 0 | 0 | 0 | 0 | 112.9 | L924 Q927 | L924-T929 PolarHBondContact O-N 2.94Å; L924-T929 VanDerWaalsContact O-N 3.16Å; L924-T929 PolarHBondContact O-OG1 2.75Å; Q927-T929 PolarHBondContact O-N 3.2Å | ||
| 930 | L | 48.8 | Very low | 61.7 | Low | 117 Ų | 117 | 110.5 Ų | 110.5 | 61% | 0.613 | 59% | 0.592 | S | S | * | * | trans | -114.8 | 88.9 | 170.6 | -67.5 | 173 | 0 | 0 | 0 | 110.5 | L924 R928 | L924-L930 HydrophobicContact CB-CD1 4.21Å; R928-L930 PolarHBondContact O-N 2.9Å | ||
| 931 | R | 40.5 | Very low | 60.1 | Low | 210 Ų | 210 | 114.8 Ų | 114.8 | 79% | 0.792 | 62% | 0.616 | S | S | * | * | trans | -87.8 | 141.8 | 156.7 | -78.6 | -174.5 | 166.7 | -170.2 | -4.8 | 109.1 | ||||
| 932 | S | 43.3 | Very low | 58.4 | Low | 118 Ų | 118 | 116.3 Ų | 116.3 | 83% | 0.825 | 63% | 0.629 | S | S | * | * | trans | -64.5 | 136.5 | 178.9 | 50.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 933 | A | 35.8 | Very low | 56.8 | Low | 91 Ų | 91 | 123.1 Ų | 123.1 | 75% | 0.752 | 66% | 0.657 | S | S | * | * | trans | -125.3 | 123.5 | 155.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 934 | S | 38 | Very low | 54.6 | Low | 192 Ų | 192 | 132 Ų | 132 | 100% | 1.343 | 71% | 0.705 | S | S | * | * | trans | 44 | 0 | -172.7 | 64.8 | 0 | 0 | 0 | 0 | 114.7 |
Retrieved 934 of 934 residues in 180.9 ms
(Link to these results)