| 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 | 60 | Low | 84.8 | Confident | 118 Ų | 118 | 80.5 Ų | 80.5 | 58% | 0.581 | 37% | 0.374 | S | S | * | . | 0 | 83.5 | 0 | -76.5 | -62.2 | -173.4 | 0 | 0 | 107 | F4 F60 | M1-F4 HydrophobicContact CB-CE1 3.71Å; M1-F4 HydrophobicContact CB-CE2 4.38Å; M1-F4 HydrophobicContact CB-CZ 3.56Å; M1-F4 HydrophobicContact CG-CE1 4.1Å; M1-F4 HydrophobicContact CG-CZ 3.89Å; M1-F4 HydrophobicContact SD-CE1 3.91Å; M1-F4 HydrophobicContact SD-CZ 4.2Å; M1-F60 HydrophobicContact CE-CB 4.46Å; M1-F60 HydrophobicContact SD-CB 4.27Å | |||
| 2 | D | 62.5 | Low | 84.8 | Confident | 128 Ų | 128 | 84.4 Ų | 84.4 | 68% | 0.684 | 39% | 0.389 | S | S | * | . | trans | -108.2 | -10.9 | -149 | -52 | -19.1 | 0 | 0 | 0 | 114.1 | K12 | D2-K12 PolarHBondContact O-NZ 2.87Š| ||
| 3 | W | 80.2 | Confident | 83.9 | Confident | 130 Ų | 130 | 86.2 Ų | 86.2 | 49% | 0.492 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -88.4 | -31.7 | -177 | 78.2 | -99.6 | 0 | 0 | 0 | 113.2 | F59 F60 | W3-F59 WeakPolarHBondContact CZ2-O 3.12Å; W3-F60 PolarHBondContact NE1-O 3.26Å |
| 4 | F | 86.3 | Confident | 82.5 | Confident | 7 Ų | 7 | 82.6 Ų | 82.6 | 3% | 0.031 | 40% | 0.4 | C | S | . | . | trans | -98.8 | 154.6 | -177.6 | 61.9 | -95.9 | 0 | 0 | 0 | 113 | M1 F17 I25 L48 F60 | M1-F4 HydrophobicContact CB-CE1 3.71Å; M1-F4 HydrophobicContact CB-CE2 4.38Å; M1-F4 HydrophobicContact CB-CZ 3.56Å; M1-F4 HydrophobicContact CG-CE1 4.1Å; M1-F4 HydrophobicContact CG-CZ 3.89Å; M1-F4 HydrophobicContact SD-CE1 3.91Å; M1-F4 HydrophobicContact SD-CZ 4.2Å; F4-F17 HydrophobicContact CD2-CD1 4.5Å; F4-F17 HydrophobicContact CD2-CD2 4.37Å; F4-F17 HydrophobicContact CD2-CG 4.27Å; F4-F17 HydrophobicContact CE2-CB 4.03Å; F4-F17 AromaticContact CE2-CD2 3.73Å; F4-F17 HydrophobicContact CE2-CD2 3.73Å; F4-F17 HydrophobicContact CE2-CE2 4.3Å; F4-F17 AromaticContact CE2-CG 3.84Å; F4-F17 HydrophobicContact CE2-CG 3.84Å; F4-I25 HydrophobicContact CB-CD1 3.76Å; F4-I25 HydrophobicContact CD2-CD1 4.3Å; F4-I25 HydrophobicContact CD2-CG2 4.1Å; F4-I25 HydrophobicContact CG-CD1 4.12Å; F4-L48 HydrophobicContact CE2-CD1 3.96Å; F4-L48 HydrophobicContact CZ-CD1 4.12Å; F4-F60 HydrophobicContact CD1-CD1 4.24Å; F4-F60 HydrophobicContact CE1-CB 3.91Å; F4-F60 AromaticContact CE1-CD1 3.98Å; F4-F60 HydrophobicContact CE1-CD1 3.98Å; F4-F60 HydrophobicContact CE1-CG 4.4Å; F4-F60 HydrophobicContact CZ-CD1 4.46Å | ||
| 5 | H | 90.5 | Very high | 81.5 | Confident | 62 Ų | 62 | 83.1 Ų | 83.1 | 29% | 0.287 | 42% | 0.424 | S | S | . | . | trans | -138.8 | 173.4 | -178.6 | 53.6 | -87 | 0 | 0 | 0 | 109.3 | N7 F10 K12 | H5-N7 PolarHBondContact O-N 3.45Å; H5-N7 PolarHBondContact O-OD1 3.34Å; H5-F10 AromaticContact CD2-CD1 3.75Å; H5-F10 AromaticContact NE2-CD1 3.71Å; H5-K12 HydrophobicContact CB-CG 3.84Å | ||
| 6 | C | 92.3 | Very high | 81.8 | Confident | 0 Ų | 0 | 84.3 Ų | 84.3 | 0% | 0 | 43% | 0.427 | C | S | . | . | trans | -74.5 | 126.3 | 171.9 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | Q8 C9 F10 R11 F17 C27 | C6-Q8 PolarHBondContact O-N 3.13Å; C6-Q8 VanDerWaalsContact O-N 3.14Å; C6-Q8 PolarHBondContact SG-N 3.27Å; C6-Q8 VanDerWaalsContact SG-N 3.4Å; C6-C9 VanDerWaalsContact CB-SG 3.6Å; C6-C9 VanDerWaalsContact SG-SG 3.66Å; C6-F10 WeakPolarHBondContact O-CA 3.34Å; C6-F10 PolarHBondContact O-N 3.28Å; C6-R11 PolarHBondContact N-O 3.28Å; C6-F17 HydrophobicContact CB-CE1 4.06Å; C6-C27 HydrophobicContact CB-CB 4.02Å; C6-C27 PolarHBondContact SG-N 3.17Å; C6-C27 VanDerWaalsContact SG-N 3.41Å | ||
| 7 | N | 93.4 | Very high | 82.3 | Confident | 45 Ų | 45 | 80.2 Ų | 80.2 | 24% | 0.241 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -4.3 | -179.5 | -63.4 | 11.7 | 0 | 0 | 0 | 113.8 | H5 I25 V38 | H5-N7 PolarHBondContact O-N 3.45Å; H5-N7 PolarHBondContact O-OD1 3.34Å; N7-I25 WeakPolarHBondContact CB-O 3.3Å; N7-I25 PolarHBondContact N-O 3.25Å; N7-I25 PolarHBondContact ND2-N 3.24Å; N7-V38 HydrophobicContact CB-CG2 3.94Å |
| 8 | Q | 92.9 | Very high | 82.8 | Confident | 97 Ų | 97 | 78.6 Ų | 78.6 | 45% | 0.453 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -47.4 | 176.5 | -173.5 | 64.1 | 32 | 0 | 0 | 112.5 | C6 F26 C30 | C6-Q8 PolarHBondContact O-N 3.13Å; C6-Q8 VanDerWaalsContact O-N 3.14Å; C6-Q8 PolarHBondContact SG-N 3.27Å; C6-Q8 VanDerWaalsContact SG-N 3.4Å; Q8-F26 HydrophobicContact CB-CD1 4.09Å; Q8-F26 HydrophobicContact CB-CE1 4.22Å; Q8-C30 HydrophobicContact CB-CB 3.81Å; Q8-C30 HydrophobicContact CG-CB 4.12Å |
| 9 | C | 93.2 | Very high | 83.3 | Confident | 43 Ų | 43 | 75.6 Ų | 75.6 | 29% | 0.291 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -2 | -176.2 | 68.2 | 0 | 0 | 0 | 0 | 114 | C6 R11 | C6-C9 VanDerWaalsContact CB-SG 3.6Å; C6-C9 VanDerWaalsContact SG-SG 3.66Å; C9-R11 PolarHBondContact O-N 2.86Å |
| 10 | F | 91.1 | Very high | 83.8 | Confident | 144 Ų | 144 | 72.1 Ų | 72.1 | 63% | 0.632 | 36% | 0.364 | S | S | * | . | trans | 59.5 | 8.6 | 178.6 | -59.1 | -84.5 | 0 | 0 | 0 | 116.3 | H5 C6 | H5-F10 AromaticContact CD2-CD1 3.75Å; H5-F10 AromaticContact NE2-CD1 3.71Å; C6-F10 WeakPolarHBondContact O-CA 3.34Å; C6-F10 PolarHBondContact O-N 3.28Å | ||
| 11 | R | 90.2 | Very high | 84.2 | Confident | 111 Ų | 111 | 72.8 Ų | 72.8 | 42% | 0.419 | 38% | 0.375 | S | S | . | . | trans | -79.4 | 143.5 | 176.5 | -66.7 | -167.8 | -57.8 | 132 | -6.2 | 111.8 | C6 C9 D13 | C6-R11 PolarHBondContact N-O 3.28Å; C9-R11 PolarHBondContact O-N 2.86Å; R11-D13 WeakPolarHBondContact CB-OD1 3.43Å; R11-D13 WeakPolarHBondContact CD-OD2 3.19Å; R11-D13 IonicContact CZ-OD2 3.79Å; R11-D13 IonicContact NE-OD2 3.98Å; R11-D13 IonicContact NH1-OD2 2.86Å; R11-D13 PolarHBondContact NH1-OD2 3.11Å | ||
| 12 | K | 85.7 | Confident | 85.8 | Confident | 128 Ų | 128 | 69.8 Ų | 69.8 | 56% | 0.557 | 37% | 0.366 | S | S | * | . | trans | -98.6 | -23.6 | 174.2 | -68.9 | -173.7 | 177.4 | -164.1 | 0 | 111.9 | D2 H5 G14 | D2-K12 PolarHBondContact O-NZ 2.87Å; H5-K12 HydrophobicContact CB-CG 3.84Å; K12-G14 PolarHBondContact O-N 3.28Å | ||
| 13 | D | 72.2 | Confident | 87.2 | Confident | 108 Ų | 108 | 66 Ų | 66 | 58% | 0.578 | 36% | 0.357 | S | S | * | . | trans | -67.6 | 86.1 | 174.9 | 40.6 | -58.4 | 0 | 0 | 0 | 110.6 | R11 | R11-D13 WeakPolarHBondContact CB-OD1 3.43Å; R11-D13 WeakPolarHBondContact CD-OD2 3.19Å; R11-D13 IonicContact CZ-OD2 3.79Å; R11-D13 IonicContact NE-OD2 3.98Å; R11-D13 IonicContact NH1-OD2 2.86Å; R11-D13 PolarHBondContact NH1-OD2 3.11Å | ||
| 14 | G | 64.9 | Low | 87.9 | Confident | 35 Ų | 35 | 61.9 Ų | 61.9 | 36% | 0.361 | 34% | 0.343 | S | S | . | . | trans | -161.3 | 129.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K12 H16 F17 | K12-G14 PolarHBondContact O-N 3.28Å; G14-H16 VanDerWaalsContact C-N 3.26Å; G14-H16 PolarHBondContact O-N 3.2Å; G14-F17 VanDerWaalsContact O-CE2 3.25Å; G14-F17 WeakPolarHBondContact O-CE2 3.45Å | ||
| 15 | A | 66.9 | Low | 88.2 | Confident | 91 Ų | 91 | 62.1 Ų | 62.1 | 75% | 0.752 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -75.7 | -14.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 16 | H | 86 | Confident | 88.3 | Confident | 102 Ų | 102 | 59.1 Ų | 59.1 | 47% | 0.472 | 33% | 0.331 | S | S | . | . | trans | -143.7 | 118.7 | -175.9 | -58.1 | -63.8 | 0 | 0 | 0 | 111.2 | G14 K28 | G14-H16 VanDerWaalsContact C-N 3.26Å; G14-H16 PolarHBondContact O-N 3.2Å; H16-K28 HydrophobicContact CB-CB 4.38Å; H16-K28 PolarHBondContact O-N 2.86Å; H16-K28 VanDerWaalsContact O-N 3.1Å | ||
| 17 | F | 90.3 | Very high | 88.3 | Confident | 15 Ų | 15 | 59.5 Ų | 59.5 | 7% | 0.066 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 154.7 | 173.7 | -73.4 | -86.1 | 0 | 0 | 0 | 110.5 | F4 C6 G14 I25 F26 C27 L48 | F4-F17 HydrophobicContact CD2-CD1 4.5Å; F4-F17 HydrophobicContact CD2-CD2 4.37Å; F4-F17 HydrophobicContact CD2-CG 4.27Å; F4-F17 HydrophobicContact CE2-CB 4.03Å; F4-F17 AromaticContact CE2-CD2 3.73Å; F4-F17 HydrophobicContact CE2-CD2 3.73Å; F4-F17 HydrophobicContact CE2-CE2 4.3Å; F4-F17 AromaticContact CE2-CG 3.84Å; F4-F17 HydrophobicContact CE2-CG 3.84Å; C6-F17 HydrophobicContact CB-CE1 4.06Å; G14-F17 VanDerWaalsContact O-CE2 3.25Å; G14-F17 WeakPolarHBondContact O-CE2 3.45Å; F17-I25 HydrophobicContact CB-CG2 4.06Å; F17-I25 HydrophobicContact CD1-CG2 3.7Å; F17-I25 HydrophobicContact CG-CG2 4.22Å; F17-F26 CarbonylContact C-O 3.54Å; F17-F26 VanDerWaalsContact CA-O 3.28Å; F17-F26 WeakPolarHBondContact CA-O 3.47Å; F17-C27 HydrophobicContact CD1-CB 4.26Å; F17-C27 HydrophobicContact CE1-CB 4.01Å; F17-L48 HydrophobicContact CB-CB 4.21Å; F17-L48 HydrophobicContact CB-CD1 3.91Å; F17-L48 HydrophobicContact CB-CG 4.38Å; F17-L48 WeakPolarHBondContact O-CB 3.47Å; F17-L48 PolarHBondContact O-N 3.05Å |
| 18 | F | 91.6 | Very high | 88.1 | Confident | 51 Ų | 51 | 64.3 Ų | 64.3 | 22% | 0.224 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 134.1 | 175.6 | -61.7 | -95.3 | 0 | 0 | 0 | 108.4 | I25 F26 K28 V31 L46 A47 | F18-I25 CarbonylContact O-C 3.6Å; F18-I25 VanDerWaalsContact O-CA 3.3Å; F18-I25 WeakPolarHBondContact O-CA 3.45Å; F18-F26 PolarHBondContact N-O 3.14Å; F18-F26 PolarHBondContact O-N 3.5Å; F18-K28 HydrophobicContact CE2-CB 4.25Å; F18-V31 HydrophobicContact CB-CG2 3.97Å; F18-V31 HydrophobicContact CD2-CB 4.07Å; F18-V31 HydrophobicContact CD2-CG1 3.98Å; F18-V31 HydrophobicContact CD2-CG2 4.18Å; F18-V31 HydrophobicContact CE2-CG1 4.09Å; F18-V31 HydrophobicContact CG-CB 4.45Å; F18-V31 HydrophobicContact CG-CG2 4.05Å; F18-L46 CarbonylContact C-O 3.53Å; F18-L46 VanDerWaalsContact CA-O 3.28Å; F18-L46 WeakPolarHBondContact CA-O 3.34Å; F18-A47 HydrophobicContact CD1-CB 3.91Å; F18-A47 HydrophobicContact CE1-CB 3.71Å |
| 19 | V | 92.4 | Very high | 88.1 | Confident | 21 Ų | 21 | 64.9 Ų | 64.9 | 13% | 0.127 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 136.1 | 170.8 | 67.8 | 0 | 0 | 0 | 0 | 109.3 | I25 L46 L48 F60 | V19-I25 HydrophobicContact CB-CG1 4.39Å; V19-I25 HydrophobicContact CG2-CG1 4.13Å; V19-L46 HydrophobicContact CG1-CB 3.94Å; V19-L46 HydrophobicContact CG1-CD2 4.28Å; V19-L46 HydrophobicContact CG1-CG 4.44Å; V19-L46 PolarHBondContact N-O 3.16Å; V19-L46 PolarHBondContact O-N 2.99Å; V19-L48 HydrophobicContact CB-CD1 4.35Å; V19-L48 HydrophobicContact CB-CD2 4.03Å; V19-L48 HydrophobicContact CB-CG 4.3Å; V19-L48 HydrophobicContact CG1-CD2 3.62Å; V19-L48 HydrophobicContact CG1-CG 4.32Å; V19-F60 HydrophobicContact CB-CZ 4.44Å; V19-F60 HydrophobicContact CG1-CZ 4.19Å |
| 20 | T | 93.5 | Very high | 88 | Confident | 6 Ų | 6 | 64.1 Ų | 64.1 | 4% | 0.037 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 159.7 | 174.9 | 48.2 | 0 | 0 | 0 | 0 | 111.6 | C22 G23 H24 F26 C43 K44 H45 | T20-C22 PolarHBondContact O-N 3.37Å; T20-C22 VanDerWaalsContact O-N 3.12Å; T20-C22 PolarHBondContact OG1-SG 3.06Å; T20-G23 PolarHBondContact O-N 3.36Å; T20-H24 PolarHBondContact N-O 3.35Å; T20-H24 WeakPolarHBondContact OG1-CA 3.28Å; T20-H24 WeakPolarHBondContact OG1-CB 3.41Å; T20-H24 PolarHBondContact OG1-N 3.41Å; T20-H24 PolarHBondContact OG1-O 3.13Å; T20-F26 HydrophobicContact CG2-CD2 4.09Å; T20-F26 HydrophobicContact CG2-CE2 3.77Å; T20-C43 HydrophobicContact CG2-CB 3.84Å; T20-K44 CarbonylContact C-O 3.44Å; T20-K44 VanDerWaalsContact CA-O 3.23Å; T20-K44 WeakPolarHBondContact CA-O 3.28Å; T20-H45 VanDerWaalsContact CG2-CD2 3.41Å; T20-H45 WeakPolarHBondContact CG2-CD2 3.29Å; T20-H45 VanDerWaalsContact CG2-NE2 3.28Å; T20-H45 WeakPolarHBondContact CG2-NE2 3.23Å |
| 21 | S | 92.3 | Very high | 88 | Confident | 86 Ų | 86 | 59 Ų | 59 | 60% | 0.601 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -20 | 173 | 50.7 | 0 | 0 | 0 | 0 | 114.3 | K44 | S21-K44 PolarHBondContact N-O 3.12Å; S21-K44 PolarHBondContact OG-N 3.03Å |
| 22 | C | 94.1 | Very high | 87.8 | Confident | 56 Ų | 56 | 56.5 Ų | 56.5 | 38% | 0.378 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 2.5 | 172.1 | 64.7 | 0 | 0 | 0 | 0 | 114 | T20 H24 C36 C43 | T20-C22 PolarHBondContact O-N 3.37Å; T20-C22 VanDerWaalsContact O-N 3.12Å; T20-C22 PolarHBondContact OG1-SG 3.06Å; C22-H24 PolarHBondContact SG-ND1 2.67Å; C22-C36 VanDerWaalsContact SG-SG 3.67Å; C22-C43 PolarHBondContact SG-SG 2.8Å |
| 23 | G | 91.6 | Very high | 87.6 | Confident | 48 Ų | 48 | 57.4 Ų | 57.4 | 50% | 0.495 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 90.6 | -0.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | T20 | T20-G23 PolarHBondContact O-N 3.36Š|
| 24 | H | 93.9 | Very high | 88 | Confident | 44 Ų | 44 | 60.4 Ų | 60.4 | 20% | 0.204 | 36% | 0.355 | C | S | . | . | trans | -80 | 140.7 | 176.3 | -60.5 | 112 | 0 | 0 | 0 | 112 | T20 C22 F26 C36 V38 | T20-H24 PolarHBondContact N-O 3.35Å; T20-H24 WeakPolarHBondContact OG1-CA 3.28Å; T20-H24 WeakPolarHBondContact OG1-CB 3.41Å; T20-H24 PolarHBondContact OG1-N 3.41Å; T20-H24 PolarHBondContact OG1-O 3.13Å; C22-H24 PolarHBondContact SG-ND1 2.67Å; H24-F26 HydrophobicContact CB-CE2 3.68Å; H24-F26 HydrophobicContact CB-CZ 3.73Å; H24-C36 PolarHBondContact ND1-SG 3.33Å; H24-V38 HydrophobicContact CB-CB 4.49Å; H24-V38 HydrophobicContact CB-CG2 4.33Å; H24-V38 VanDerWaalsContact NE2-CG1 3.29Å; H24-V38 WeakPolarHBondContact NE2-CG1 3.39Å | ||
| 25 | I | 92.8 | Very high | 89.2 | Confident | 11 Ų | 11 | 65.2 Ų | 65.2 | 6% | 0.056 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 131.7 | -175.3 | -60.6 | 173.5 | 0 | 0 | 0 | 110.3 | F4 N7 F17 F18 V19 L48 F60 | F4-I25 HydrophobicContact CB-CD1 3.76Å; F4-I25 HydrophobicContact CD2-CD1 4.3Å; F4-I25 HydrophobicContact CD2-CG2 4.1Å; F4-I25 HydrophobicContact CG-CD1 4.12Å; N7-I25 WeakPolarHBondContact CB-O 3.3Å; N7-I25 PolarHBondContact N-O 3.25Å; N7-I25 PolarHBondContact ND2-N 3.24Å; F17-I25 HydrophobicContact CB-CG2 4.06Å; F17-I25 HydrophobicContact CD1-CG2 3.7Å; F17-I25 HydrophobicContact CG-CG2 4.22Å; F18-I25 CarbonylContact O-C 3.6Å; F18-I25 VanDerWaalsContact O-CA 3.3Å; F18-I25 WeakPolarHBondContact O-CA 3.45Å; V19-I25 HydrophobicContact CB-CG1 4.39Å; V19-I25 HydrophobicContact CG2-CG1 4.13Å; I25-L48 HydrophobicContact CG2-CD1 4.32Å; I25-F60 HydrophobicContact CD1-CE1 4.42Å |
| 26 | F | 92.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 140.5 | -179.1 | -58.4 | -75.4 | 0 | 0 | 0 | 111.7 | Q8 F17 F18 T20 H24 V31 A37 V38 | Q8-F26 HydrophobicContact CB-CD1 4.09Å; Q8-F26 HydrophobicContact CB-CE1 4.22Å; F17-F26 CarbonylContact C-O 3.54Å; F17-F26 VanDerWaalsContact CA-O 3.28Å; F17-F26 WeakPolarHBondContact CA-O 3.47Å; F18-F26 PolarHBondContact N-O 3.14Å; F18-F26 PolarHBondContact O-N 3.5Å; T20-F26 HydrophobicContact CG2-CD2 4.09Å; T20-F26 HydrophobicContact CG2-CE2 3.77Å; H24-F26 HydrophobicContact CB-CE2 3.68Å; H24-F26 HydrophobicContact CB-CZ 3.73Å; F26-V31 HydrophobicContact CB-CB 4.04Å; F26-V31 HydrophobicContact CB-CG2 4.4Å; F26-A37 HydrophobicContact CE1-CB 3.85Å; F26-A37 HydrophobicContact CZ-CB 4.14Å; F26-V38 HydrophobicContact CE1-CG2 3.93Å; F26-V38 HydrophobicContact CZ-CG2 3.83Å |
| 27 | C | 91.8 | Very high | 90.8 | Very high | 7 Ų | 7 | 58.2 Ų | 58.2 | 5% | 0.047 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 162.8 | 167.1 | 65.7 | 0 | 0 | 0 | 0 | 110.3 | C6 F17 T29 C30 V31 | C6-C27 HydrophobicContact CB-CB 4.02Å; C6-C27 PolarHBondContact SG-N 3.17Å; C6-C27 VanDerWaalsContact SG-N 3.41Å; F17-C27 HydrophobicContact CD1-CB 4.26Å; F17-C27 HydrophobicContact CE1-CB 4.01Å; C27-T29 PolarHBondContact O-N 2.99Å; C27-T29 PolarHBondContact SG-OG1 2.9Å; C27-C30 PolarHBondContact O-N 2.86Å; C27-V31 PolarHBondContact O-N 2.85Å |
| 28 | K | 90.8 | Very high | 90.9 | Very high | 146 Ų | 146 | 60.9 Ų | 60.9 | 64% | 0.635 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -31.4 | 178.9 | -173.4 | 178.7 | 178.5 | -178.3 | 0 | 114.7 | H16 F18 | H16-K28 HydrophobicContact CB-CB 4.38Å; H16-K28 PolarHBondContact O-N 2.86Å; H16-K28 VanDerWaalsContact O-N 3.1Å; F18-K28 HydrophobicContact CE2-CB 4.25Å |
| 29 | T | 91 | Very high | 91 | Very high | 110 Ų | 110 | 61.1 Ų | 61.1 | 68% | 0.675 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -21.4 | -179.5 | 56.5 | 0 | 0 | 0 | 0 | 113.8 | C27 | C27-T29 PolarHBondContact O-N 2.99Å; C27-T29 PolarHBondContact SG-OG1 2.9Å |
| 30 | C | 91.6 | Very high | 91 | Very high | 27 Ų | 27 | 62.6 Ų | 62.6 | 18% | 0.182 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -9 | -176.7 | -65.5 | 0 | 0 | 0 | 0 | 113.1 | Q8 C27 T32 | Q8-C30 HydrophobicContact CB-CB 3.81Å; Q8-C30 HydrophobicContact CG-CB 4.12Å; C27-C30 PolarHBondContact O-N 2.86Å; C30-T32 PolarHBondContact O-N 2.88Å |
| 31 | V | 90.6 | Very high | 90.9 | Very high | 35 Ų | 35 | 65.8 Ų | 65.8 | 21% | 0.212 | 39% | 0.39 | C | S | . | . | trans | -70.6 | 130.9 | 179.8 | 72.2 | 0 | 0 | 0 | 0 | 110.6 | F18 F26 C27 H45 | F18-V31 HydrophobicContact CB-CG2 3.97Å; F18-V31 HydrophobicContact CD2-CB 4.07Å; F18-V31 HydrophobicContact CD2-CG1 3.98Å; F18-V31 HydrophobicContact CD2-CG2 4.18Å; F18-V31 HydrophobicContact CE2-CG1 4.09Å; F18-V31 HydrophobicContact CG-CB 4.45Å; F18-V31 HydrophobicContact CG-CG2 4.05Å; F26-V31 HydrophobicContact CB-CB 4.04Å; F26-V31 HydrophobicContact CB-CG2 4.4Å; C27-V31 PolarHBondContact O-N 2.85Å; V31-H45 VanDerWaalsContact CG2-CD2 3.45Å; V31-H45 WeakPolarHBondContact CG2-CD2 3.42Å | ||
| 32 | T | 87.5 | Confident | 91 | Very high | 60 Ų | 60 | 66 Ų | 66 | 37% | 0.368 | 40% | 0.397 | S | S | . | . | trans | -118.7 | 117.1 | 175.1 | 44.6 | 0 | 0 | 0 | 0 | 108.8 | C30 E34 K35 H45 | C30-T32 PolarHBondContact O-N 2.88Å; T32-E34 PolarHBondContact O-N 3.06Å; T32-E34 VanDerWaalsContact O-N 3.13Å; T32-K35 VanDerWaalsContact O-O 3.14Å; T32-K35 PolarHBondContact OG1-O 2.97Å; T32-H45 PolarHBondContact O-CE1 3.1Å; T32-H45 PolarHBondContact O-NE2 3.5Å | ||
| 33 | L | 80 | Confident | 90.9 | Very high | 147 Ų | 147 | 64 Ų | 64 | 77% | 0.77 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -59.7 | -30.1 | -167.6 | -77.5 | 163.9 | 0 | 0 | 0 | 114.5 | H45 | L33-H45 PolarHBondContact O-CE1 2.85Å; L33-H45 PolarHBondContact O-ND1 3.42Å |
| 34 | E | 82.3 | Confident | 90.9 | Very high | 171 Ų | 171 | 70.1 Ų | 70.1 | 80% | 0.799 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -96.2 | -30 | -169.9 | -59.3 | -140.5 | 152.3 | 0 | 0 | 114.7 | T32 A42 | T32-E34 PolarHBondContact O-N 3.06Å; T32-E34 VanDerWaalsContact O-N 3.13Å; E34-A42 WeakPolarHBondContact O-CA 3.12Å |
| 35 | K | 90.4 | Very high | 90.7 | Very high | 135 Ų | 135 | 70.2 Ų | 70.2 | 59% | 0.587 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -142.3 | 145.9 | -175.9 | 64.4 | -177.5 | -179.3 | -178.9 | 0 | 111.6 | T32 T41 | T32-K35 VanDerWaalsContact O-O 3.14Å; T32-K35 PolarHBondContact OG1-O 2.97Å; K35-T41 WeakPolarHBondContact CA-O 3.39Å |
| 36 | C | 94.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 42% | 0.415 | C | S | . | . | trans | -70.4 | 127.4 | 171.5 | -178.9 | 0 | 0 | 0 | 0 | 109.9 | C22 H24 V38 C39 G40 T41 C43 | C22-C36 VanDerWaalsContact SG-SG 3.67Å; H24-C36 PolarHBondContact ND1-SG 3.33Å; C36-V38 PolarHBondContact O-N 2.79Å; C36-V38 PolarHBondContact SG-N 3.4Å; C36-C39 VanDerWaalsContact CB-SG 3.5Å; C36-G40 WeakPolarHBondContact O-CA 3.28Å; C36-G40 PolarHBondContact O-N 3.14Å; C36-T41 PolarHBondContact N-O 2.79Å; C36-C43 HydrophobicContact CB-CB 4.37Å | ||
| 37 | A | 91.3 | Very high | 90.4 | Very high | 47 Ų | 47 | 75.8 Ų | 75.8 | 39% | 0.388 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -18.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F26 | F26-A37 HydrophobicContact CE1-CB 3.85Å; F26-A37 HydrophobicContact CZ-CB 4.14Å |
| 38 | V | 92.9 | Very high | 90.2 | Very high | 70 Ų | 70 | 76.4 Ų | 76.4 | 42% | 0.424 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -50.7 | -178.9 | -179.8 | 0 | 0 | 0 | 0 | 112.1 | N7 H24 F26 C36 | N7-V38 HydrophobicContact CB-CG2 3.94Å; H24-V38 HydrophobicContact CB-CB 4.49Å; H24-V38 HydrophobicContact CB-CG2 4.33Å; H24-V38 VanDerWaalsContact NE2-CG1 3.29Å; H24-V38 WeakPolarHBondContact NE2-CG1 3.39Å; F26-V38 HydrophobicContact CE1-CG2 3.93Å; F26-V38 HydrophobicContact CZ-CG2 3.83Å; C36-V38 PolarHBondContact O-N 2.79Å; C36-V38 PolarHBondContact SG-N 3.4Å |
| 39 | C | 94 | Very high | 89.6 | Confident | 57 Ų | 57 | 71.6 Ų | 71.6 | 39% | 0.385 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -4.8 | -177.2 | 67.3 | 0 | 0 | 0 | 0 | 114.6 | C36 T41 | C36-C39 VanDerWaalsContact CB-SG 3.5Å; C39-T41 PolarHBondContact O-N 3.49Å; C39-T41 VanDerWaalsContact O-N 3.11Å; C39-T41 PolarHBondContact SG-OG1 2.87Å |
| 40 | G | 91.3 | Very high | 88.7 | Confident | 52 Ų | 52 | 72.6 Ų | 72.6 | 54% | 0.536 | 42% | 0.421 | S | S | . | . | trans | 73.5 | -5.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | C36 | C36-G40 WeakPolarHBondContact O-CA 3.28Å; C36-G40 PolarHBondContact O-N 3.14Å | ||
| 41 | T | 92.7 | Very high | 87.9 | Confident | 73 Ų | 73 | 78.5 Ų | 78.5 | 45% | 0.448 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -82 | 153 | -177.3 | 64.9 | 0 | 0 | 0 | 0 | 112.8 | K35 C36 C39 C43 | K35-T41 WeakPolarHBondContact CA-O 3.39Å; C36-T41 PolarHBondContact N-O 2.79Å; C39-T41 PolarHBondContact O-N 3.49Å; C39-T41 VanDerWaalsContact O-N 3.11Å; C39-T41 PolarHBondContact SG-OG1 2.87Å; T41-C43 PolarHBondContact O-N 2.98Å; T41-C43 PolarHBondContact OG1-SG 3.4Å; T41-C43 VanDerWaalsContact OG1-SG 3.34Å |
| 42 | A | 93.7 | Very high | 87.5 | Confident | 91 Ų | 91 | 77.7 Ų | 77.7 | 75% | 0.752 | 45% | 0.445 | S | S | * | . | trans | -66.1 | 118.3 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | E34 | E34-A42 WeakPolarHBondContact O-CA 3.12Š| ||
| 43 | C | 92.8 | Very high | 87.3 | Confident | 13 Ų | 13 | 81.3 Ų | 81.3 | 9% | 0.088 | 46% | 0.456 | C | S | . | . | trans | -126.2 | 142.6 | -173.4 | -76.3 | 0 | 0 | 0 | 0 | 111.7 | T20 C22 C36 T41 H45 | T20-C43 HydrophobicContact CG2-CB 3.84Å; C22-C43 PolarHBondContact SG-SG 2.8Å; C36-C43 HydrophobicContact CB-CB 4.37Å; T41-C43 PolarHBondContact O-N 2.98Å; T41-C43 PolarHBondContact OG1-SG 3.4Å; T41-C43 VanDerWaalsContact OG1-SG 3.34Å; C43-H45 PolarHBondContact O-CE1 3.41Å; C43-H45 PolarHBondContact O-ND1 2.78Å | ||
| 44 | K | 91.1 | Very high | 87.5 | Confident | 177 Ų | 177 | 79.7 Ų | 79.7 | 77% | 0.77 | 45% | 0.454 | S | S | * | . | trans | -73.9 | 140.3 | 165.7 | -65 | -176.9 | -178.1 | 178.9 | 0 | 108.7 | T20 S21 | T20-K44 CarbonylContact C-O 3.44Å; T20-K44 VanDerWaalsContact CA-O 3.23Å; T20-K44 WeakPolarHBondContact CA-O 3.28Å; S21-K44 PolarHBondContact N-O 3.12Å; S21-K44 PolarHBondContact OG-N 3.03Å | ||
| 45 | H | 90.3 | Very high | 87.6 | Confident | 45 Ų | 45 | 78.9 Ų | 78.9 | 21% | 0.208 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 129.2 | 179.9 | -66 | 82.7 | 0 | 0 | 0 | 109.7 | T20 V31 T32 L33 C43 | T20-H45 VanDerWaalsContact CG2-CD2 3.41Å; T20-H45 WeakPolarHBondContact CG2-CD2 3.29Å; T20-H45 VanDerWaalsContact CG2-NE2 3.28Å; T20-H45 WeakPolarHBondContact CG2-NE2 3.23Å; V31-H45 VanDerWaalsContact CG2-CD2 3.45Å; V31-H45 WeakPolarHBondContact CG2-CD2 3.42Å; T32-H45 PolarHBondContact O-CE1 3.1Å; T32-H45 PolarHBondContact O-NE2 3.5Å; L33-H45 PolarHBondContact O-CE1 2.85Å; L33-H45 PolarHBondContact O-ND1 3.42Å; C43-H45 PolarHBondContact O-CE1 3.41Å; C43-H45 PolarHBondContact O-ND1 2.78Å |
| 46 | L | 89.6 | Confident | 87.2 | Confident | 85 Ų | 85 | 75.9 Ų | 75.9 | 45% | 0.445 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 126.5 | 173.9 | 177 | 66.5 | 0 | 0 | 0 | 109 | F18 V19 L48 L52 | F18-L46 CarbonylContact C-O 3.53Å; F18-L46 VanDerWaalsContact CA-O 3.28Å; F18-L46 WeakPolarHBondContact CA-O 3.34Å; V19-L46 HydrophobicContact CG1-CB 3.94Å; V19-L46 HydrophobicContact CG1-CD2 4.28Å; V19-L46 HydrophobicContact CG1-CG 4.44Å; V19-L46 PolarHBondContact N-O 3.16Å; V19-L46 PolarHBondContact O-N 2.99Å; L46-L48 PolarHBondContact O-N 2.86Å; L46-L52 HydrophobicContact CD1-CD2 4.21Å; L46-L52 HydrophobicContact CD2-CD2 3.86Å; L46-L52 HydrophobicContact CG-CD2 4.11Å |
| 47 | A | 89.8 | Confident | 86.7 | Confident | 43 Ų | 43 | 78.6 Ų | 78.6 | 36% | 0.355 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 122.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | F18 S49 | F18-A47 HydrophobicContact CD1-CB 3.91Å; F18-A47 HydrophobicContact CE1-CB 3.71Å; A47-S49 PolarHBondContact O-N 3.19Å |
| 48 | L | 87.3 | Confident | 86.3 | Confident | 20 Ų | 20 | 80.8 Ų | 80.8 | 11% | 0.105 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 98.5 | 170.6 | -57.4 | -176.8 | 0 | 0 | 0 | 108.1 | F4 F17 V19 I25 L46 L52 F60 | F4-L48 HydrophobicContact CE2-CD1 3.96Å; F4-L48 HydrophobicContact CZ-CD1 4.12Å; F17-L48 HydrophobicContact CB-CB 4.21Å; F17-L48 HydrophobicContact CB-CD1 3.91Å; F17-L48 HydrophobicContact CB-CG 4.38Å; F17-L48 WeakPolarHBondContact O-CB 3.47Å; F17-L48 PolarHBondContact O-N 3.05Å; V19-L48 HydrophobicContact CB-CD1 4.35Å; V19-L48 HydrophobicContact CB-CD2 4.03Å; V19-L48 HydrophobicContact CB-CG 4.3Å; V19-L48 HydrophobicContact CG1-CD2 3.62Å; V19-L48 HydrophobicContact CG1-CG 4.32Å; I25-L48 HydrophobicContact CG2-CD1 4.32Å; L46-L48 PolarHBondContact O-N 2.86Å; L48-L52 HydrophobicContact CD2-CD1 3.93Å; L48-F60 HydrophobicContact CD1-CD1 3.84Å; L48-F60 HydrophobicContact CD1-CE1 3.64Å; L48-F60 HydrophobicContact CD1-CZ 4.26Å; L48-F60 HydrophobicContact CD2-CD1 4.1Å; L48-F60 HydrophobicContact CD2-CD2 4.05Å; L48-F60 HydrophobicContact CD2-CE1 3.62Å; L48-F60 HydrophobicContact CD2-CE2 3.57Å; L48-F60 HydrophobicContact CD2-CG 4.3Å; L48-F60 HydrophobicContact CD2-CZ 3.34Å; L48-F60 HydrophobicContact CG-CE1 4.3Å; L48-F60 HydrophobicContact CG-CZ 4.46Å |
| 49 | S | 78.7 | Confident | 85.9 | Confident | 46 Ų | 46 | 84.6 Ų | 84.6 | 32% | 0.322 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -134.5 | 169.6 | 179.1 | 68.4 | 0 | 0 | 0 | 0 | 111 | A47 N51 L52 | A47-S49 PolarHBondContact O-N 3.19Å; S49-N51 PolarHBondContact O-N 3.2Å; S49-N51 PolarHBondContact OG-N 3.34Å; S49-L52 WeakPolarHBondContact O-CG 3.46Å; S49-L52 PolarHBondContact O-N 3.3Å |
| 50 | D | 71.7 | Confident | 85.4 | Confident | 130 Ų | 130 | 83 Ų | 83 | 70% | 0.695 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -1.1 | 173.3 | -65.9 | -41.4 | 0 | 0 | 0 | 113.7 | K57 | D50-K57 WeakPolarHBondContact O-CE 3.42Å; D50-K57 PolarHBondContact O-NZ 3.49Å |
| 51 | N | 73.8 | Confident | 85 | Confident | 151 Ų | 151 | 84.8 Ų | 84.8 | 81% | 0.807 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 0.7 | 176.2 | -63.1 | -58.8 | 0 | 0 | 0 | 114.1 | S49 | S49-N51 PolarHBondContact O-N 3.2Å; S49-N51 PolarHBondContact OG-N 3.34Å |
| 52 | L | 81.8 | Confident | 84.6 | Confident | 19 Ų | 19 | 83.1 Ų | 83.1 | 10% | 0.099 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -62.3 | 149.5 | 175 | -71.9 | 176.3 | 0 | 0 | 0 | 112.1 | L46 L48 S49 E56 K57 F60 | L46-L52 HydrophobicContact CD1-CD2 4.21Å; L46-L52 HydrophobicContact CD2-CD2 3.86Å; L46-L52 HydrophobicContact CG-CD2 4.11Å; L48-L52 HydrophobicContact CD2-CD1 3.93Å; S49-L52 WeakPolarHBondContact O-CG 3.46Å; S49-L52 PolarHBondContact O-N 3.3Å; L52-E56 HydrophobicContact CB-CB 4.43Å; L52-K57 HydrophobicContact CB-CD 4.42Å; L52-K57 HydrophobicContact CB-CG 3.56Å; L52-K57 WeakPolarHBondContact O-CD 3.15Å; L52-K57 WeakPolarHBondContact O-CE 3.34Å; L52-F60 HydrophobicContact CD1-CD2 4.19Å; L52-F60 HydrophobicContact CD1-CE2 4.3Å |
| 53 | K | 85.2 | Confident | 84.3 | Confident | 136 Ų | 136 | 83.4 Ų | 83.4 | 59% | 0.591 | 43% | 0.43 | S | S | * | . | trans | -61.8 | 148.5 | 175.5 | -66.3 | 176.9 | -176.1 | 168.1 | 0 | 109.8 | Q55 E56 K57 | K53-Q55 PolarHBondContact O-N 2.93Å; K53-Q55 VanDerWaalsContact O-N 3.13Å; K53-E56 HydrophobicContact CB-CG 4.25Å; K53-E56 PolarHBondContact N-OE2 3.47Å; K53-E56 PolarHBondContact O-N 3.48Å; K53-K57 PolarHBondContact O-N 3.13Å | ||
| 54 | P | 83.6 | Confident | 84.2 | Confident | 112 Ų | 112 | 87.6 Ų | 87.6 | 73% | 0.727 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -53 | -38.2 | -179.5 | -28.2 | 35.1 | 0 | 0 | 0 | 114.2 | E56 K57 M58 | P54-E56 VanDerWaalsContact C-N 3.32Å; P54-E56 PolarHBondContact O-N 3.29Å; P54-K57 PolarHBondContact O-N 3.18Å; P54-M58 PolarHBondContact O-N 3.2Å |
| 55 | Q | 83.4 | Confident | 84 | Confident | 154 Ų | 154 | 84.4 Ų | 84.4 | 72% | 0.72 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -68.2 | -26.8 | 176.3 | -68.6 | -176 | -30.6 | 0 | 0 | 113.7 | K53 M58 F59 | K53-Q55 PolarHBondContact O-N 2.93Å; K53-Q55 VanDerWaalsContact O-N 3.13Å; Q55-M58 WeakPolarHBondContact O-CG 3.25Å; Q55-M58 VanDerWaalsContact O-SD 3.34Å; Q55-F59 WeakPolarHBondContact O-CE2 3.5Å |
| 56 | E | 82.8 | Confident | 84 | Confident | 72 Ų | 72 | 83.6 Ų | 83.6 | 34% | 0.336 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -85.5 | -38.2 | 177.4 | -66 | 161.8 | 178 | 0 | 0 | 110 | L52 K53 P54 M58 F59 F60 | L52-E56 HydrophobicContact CB-CB 4.43Å; K53-E56 HydrophobicContact CB-CG 4.25Å; K53-E56 PolarHBondContact N-OE2 3.47Å; K53-E56 PolarHBondContact O-N 3.48Å; P54-E56 VanDerWaalsContact C-N 3.32Å; P54-E56 PolarHBondContact O-N 3.29Å; E56-M58 PolarHBondContact O-N 3.35Å; E56-F59 PolarHBondContact O-N 2.88Å; E56-F60 WeakPolarHBondContact O-CD2 3.38Å |
| 57 | K | 82.8 | Confident | 84.2 | Confident | 57 Ų | 57 | 81.3 Ų | 81.3 | 25% | 0.248 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -57.9 | -31.1 | 175.8 | -74.9 | -176.4 | 171.5 | 178.5 | 0 | 113 | D50 L52 K53 P54 F59 F60 K61 | D50-K57 WeakPolarHBondContact O-CE 3.42Å; D50-K57 PolarHBondContact O-NZ 3.49Å; L52-K57 HydrophobicContact CB-CD 4.42Å; L52-K57 HydrophobicContact CB-CG 3.56Å; L52-K57 WeakPolarHBondContact O-CD 3.15Å; L52-K57 WeakPolarHBondContact O-CE 3.34Å; K53-K57 PolarHBondContact O-N 3.13Å; P54-K57 PolarHBondContact O-N 3.18Å; K57-F59 PolarHBondContact O-N 2.99Å; K57-F60 PolarHBondContact O-N 3.21Å; K57-K61 PolarHBondContact O-N 2.99Å |
| 58 | M | 83.3 | Confident | 84.4 | Confident | 94 Ų | 94 | 84.6 Ų | 84.6 | 46% | 0.463 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -30.8 | -176.9 | 79.4 | -168 | -73.2 | 0 | 0 | 112.9 | P54 Q55 E56 F60 K61 | P54-M58 PolarHBondContact O-N 3.2Å; Q55-M58 WeakPolarHBondContact O-CG 3.25Å; Q55-M58 VanDerWaalsContact O-SD 3.34Å; E56-M58 PolarHBondContact O-N 3.35Å; M58-F60 PolarHBondContact O-N 3.44Å; M58-K61 PolarHBondContact O-N 2.94Å |
| 59 | F | 84 | Confident | 84.7 | Confident | 149 Ų | 149 | 89.6 Ų | 89.6 | 65% | 0.654 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -19.5 | 177.6 | -64.1 | -74.6 | 0 | 0 | 0 | 113.2 | W3 Q55 E56 K57 | W3-F59 WeakPolarHBondContact CZ2-O 3.12Å; Q55-F59 WeakPolarHBondContact O-CE2 3.5Å; E56-F59 PolarHBondContact O-N 2.88Å; K57-F59 PolarHBondContact O-N 2.99Å |
| 60 | F | 83.6 | Confident | 85.5 | Confident | 25 Ų | 25 | 94.2 Ų | 94.2 | 11% | 0.11 | 48% | 0.479 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -7.7 | -177.5 | -59.5 | -73.5 | 0 | 0 | 0 | 112.8 | M1 W3 F4 V19 I25 L48 L52 E56 K57 M58 | M1-F60 HydrophobicContact CE-CB 4.46Å; M1-F60 HydrophobicContact SD-CB 4.27Å; W3-F60 PolarHBondContact NE1-O 3.26Å; F4-F60 HydrophobicContact CD1-CD1 4.24Å; F4-F60 HydrophobicContact CE1-CB 3.91Å; F4-F60 AromaticContact CE1-CD1 3.98Å; F4-F60 HydrophobicContact CE1-CD1 3.98Å; F4-F60 HydrophobicContact CE1-CG 4.4Å; F4-F60 HydrophobicContact CZ-CD1 4.46Å; V19-F60 HydrophobicContact CB-CZ 4.44Å; V19-F60 HydrophobicContact CG1-CZ 4.19Å; I25-F60 HydrophobicContact CD1-CE1 4.42Å; L48-F60 HydrophobicContact CD1-CD1 3.84Å; L48-F60 HydrophobicContact CD1-CE1 3.64Å; L48-F60 HydrophobicContact CD1-CZ 4.26Å; L48-F60 HydrophobicContact CD2-CD1 4.1Å; L48-F60 HydrophobicContact CD2-CD2 4.05Å; L48-F60 HydrophobicContact CD2-CE1 3.62Å; L48-F60 HydrophobicContact CD2-CE2 3.57Å; L48-F60 HydrophobicContact CD2-CG 4.3Å; L48-F60 HydrophobicContact CD2-CZ 3.34Å; L48-F60 HydrophobicContact CG-CE1 4.3Å; L48-F60 HydrophobicContact CG-CZ 4.46Å; L52-F60 HydrophobicContact CD1-CD2 4.19Å; L52-F60 HydrophobicContact CD1-CE2 4.3Å; E56-F60 WeakPolarHBondContact O-CD2 3.38Å; K57-F60 PolarHBondContact O-N 3.21Å; M58-F60 PolarHBondContact O-N 3.44Å |
| 61 | K | 82.6 | Confident | 86.7 | Confident | 89 Ų | 89 | 94.1 Ų | 94.1 | 39% | 0.387 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -75.5 | 160.3 | 174.1 | -74.3 | -162.5 | 174.5 | -168.4 | 0 | 112 | K57 M58 P63 | K57-K61 PolarHBondContact O-N 2.99Å; M58-K61 PolarHBondContact O-N 2.94Å; K61-P63 WeakPolarHBondContact O-CD 3.15Å |
| 62 | S | 84.6 | Confident | 87.8 | Confident | 38 Ų | 38 | 90.6 Ų | 90.6 | 27% | 0.266 | 46% | 0.46 | S | S | . | . | trans | -62.2 | 126.8 | 170 | 173.7 | 0 | 0 | 0 | 0 | 109.8 | V64 E65 T66 | S62-V64 PolarHBondContact O-N 3.23Å; S62-V64 PolarHBondContact OG-N 2.64Å; S62-E65 PolarHBondContact O-N 3Å; S62-E65 PolarHBondContact OG-N 2.92Å; S62-T66 WeakPolarHBondContact O-CB 3.35Å; S62-T66 PolarHBondContact O-N 3.29Å; S62-T66 PolarHBondContact O-OG1 3.04Å | ||
| 63 | P | 87.3 | Confident | 88.6 | Confident | 97 Ų | 97 | 95.2 Ų | 95.2 | 63% | 0.63 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -58.6 | -34.9 | 173 | -25 | 34.5 | 0 | 0 | 0 | 112 | K61 T66 A67 | K61-P63 WeakPolarHBondContact O-CD 3.15Å; P63-T66 PolarHBondContact O-N 3.29Å; P63-A67 WeakPolarHBondContact O-CB 3.14Å; P63-A67 PolarHBondContact O-N 2.87Å |
| 64 | V | 90.6 | Very high | 89.2 | Confident | 100 Ų | 100 | 93.6 Ų | 93.6 | 61% | 0.606 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.4 | -49.8 | 178.9 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | S62 T66 A67 L68 | S62-V64 PolarHBondContact O-N 3.23Å; S62-V64 PolarHBondContact OG-N 2.64Å; V64-T66 VanDerWaalsContact C-N 3.3Å; V64-T66 PolarHBondContact O-N 3.49Å; V64-A67 PolarHBondContact O-N 3.34Å; V64-L68 HydrophobicContact CG1-CD1 4.15Å; V64-L68 VanDerWaalsContact O-CG 3.32Å; V64-L68 WeakPolarHBondContact O-CG 3.47Å; V64-L68 PolarHBondContact O-N 3.43Å |
| 65 | E | 88.2 | Confident | 89.9 | Confident | 110 Ų | 110 | 91.7 Ų | 91.7 | 51% | 0.514 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62 | -41 | 178.2 | -67.3 | 173.9 | 172.6 | 0 | 0 | 111.7 | S62 L68 Q69 | S62-E65 PolarHBondContact O-N 3Å; S62-E65 PolarHBondContact OG-N 2.92Å; E65-L68 PolarHBondContact O-N 3.35Å; E65-Q69 WeakPolarHBondContact O-CG 3.1Å; E65-Q69 PolarHBondContact O-N 3.41Å |
| 66 | T | 89.6 | Confident | 90.6 | Very high | 29 Ų | 29 | 90.6 Ų | 90.6 | 18% | 0.178 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 178.1 | -56.7 | 0 | 0 | 0 | 0 | 110.7 | S62 P63 V64 L68 Q69 Y70 | S62-T66 WeakPolarHBondContact O-CB 3.35Å; S62-T66 PolarHBondContact O-N 3.29Å; S62-T66 PolarHBondContact O-OG1 3.04Å; P63-T66 PolarHBondContact O-N 3.29Å; V64-T66 VanDerWaalsContact C-N 3.3Å; V64-T66 PolarHBondContact O-N 3.49Å; T66-L68 PolarHBondContact O-N 3.13Å; T66-Q69 PolarHBondContact O-N 3.47Å; T66-Y70 HydrophobicContact CG2-CD2 3.96Å; T66-Y70 HydrophobicContact CG2-CE2 3.58Å; T66-Y70 WeakPolarHBondContact O-CD2 3.45Å; T66-Y70 PolarHBondContact O-N 3.4Å; T66-Y70 VanDerWaalsContact O-N 3.13Å |
| 67 | A | 93.8 | Very high | 91.4 | Very high | 37 Ų | 37 | 90 Ų | 90 | 31% | 0.306 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P63 V64 Q69 Y70 F71 | P63-A67 WeakPolarHBondContact O-CB 3.14Å; P63-A67 PolarHBondContact O-N 2.87Å; V64-A67 PolarHBondContact O-N 3.34Å; A67-Q69 VanDerWaalsContact C-N 3.31Å; A67-Q69 PolarHBondContact O-N 3.31Å; A67-Y70 PolarHBondContact O-N 2.9Å; A67-F71 HydrophobicContact CB-CD2 4.35Å; A67-F71 HydrophobicContact CB-CE2 4.14Å; A67-F71 WeakPolarHBondContact O-CD2 3.32Å; A67-F71 PolarHBondContact O-N 3.38Å |
| 68 | L | 94.4 | Very high | 92.2 | Very high | 112 Ų | 112 | 94.9 Ų | 94.9 | 59% | 0.586 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -59.1 | -40.5 | 177 | -72 | 172.6 | 0 | 0 | 0 | 112.2 | V64 E65 T66 F71 S72 | V64-L68 HydrophobicContact CG1-CD1 4.15Å; V64-L68 VanDerWaalsContact O-CG 3.32Å; V64-L68 WeakPolarHBondContact O-CG 3.47Å; V64-L68 PolarHBondContact O-N 3.43Å; E65-L68 PolarHBondContact O-N 3.35Å; T66-L68 PolarHBondContact O-N 3.13Å; L68-F71 PolarHBondContact O-N 2.97Å; L68-S72 WeakPolarHBondContact O-CB 3.28Å; L68-S72 PolarHBondContact O-N 2.87Å |
| 69 | Q | 92.6 | Very high | 92.9 | Very high | 125 Ų | 125 | 93.7 Ų | 93.7 | 58% | 0.584 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.5 | -45.6 | 175 | -75.5 | -170.9 | -18.7 | 0 | 0 | 112 | E65 T66 A67 S72 H73 | E65-Q69 WeakPolarHBondContact O-CG 3.1Å; E65-Q69 PolarHBondContact O-N 3.41Å; T66-Q69 PolarHBondContact O-N 3.47Å; A67-Q69 VanDerWaalsContact C-N 3.31Å; A67-Q69 PolarHBondContact O-N 3.31Å; Q69-S72 WeakPolarHBondContact O-CB 3.49Å; Q69-S72 PolarHBondContact O-N 3.23Å; Q69-H73 PolarHBondContact O-N 3.41Å; Q69-H73 VanDerWaalsContact O-N 3.12Å |
| 70 | Y | 95.3 | Very high | 93.6 | Very high | 142 Ų | 142 | 92.6 Ų | 92.6 | 56% | 0.557 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.8 | -44.4 | 176.5 | -76 | -63.3 | 0 | 0 | 0 | 112.2 | T66 A67 S72 H73 I74 | T66-Y70 HydrophobicContact CG2-CD2 3.96Å; T66-Y70 HydrophobicContact CG2-CE2 3.58Å; T66-Y70 WeakPolarHBondContact O-CD2 3.45Å; T66-Y70 PolarHBondContact O-N 3.4Å; T66-Y70 VanDerWaalsContact O-N 3.13Å; A67-Y70 PolarHBondContact O-N 2.9Å; Y70-S72 VanDerWaalsContact C-N 3.3Å; Y70-S72 PolarHBondContact O-N 3.17Å; Y70-H73 PolarHBondContact O-N 3.12Å; Y70-I74 VanDerWaalsContact O-CG1 3.28Å; Y70-I74 WeakPolarHBondContact O-CG1 3.33Å; Y70-I74 PolarHBondContact O-N 3.37Å |
| 71 | F | 97.8 | Very high | 94.3 | Very high | 128 Ų | 128 | 96.1 Ų | 96.1 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.4 | -38.2 | 177.3 | -74.5 | -53.7 | 0 | 0 | 0 | 112.5 | A67 L68 I74 S75 | A67-F71 HydrophobicContact CB-CD2 4.35Å; A67-F71 HydrophobicContact CB-CE2 4.14Å; A67-F71 WeakPolarHBondContact O-CD2 3.32Å; A67-F71 PolarHBondContact O-N 3.38Å; L68-F71 PolarHBondContact O-N 2.97Å; F71-I74 PolarHBondContact O-N 3.04Å; F71-S75 VanDerWaalsContact O-CB 3.26Å; F71-S75 WeakPolarHBondContact O-CB 3.45Å; F71-S75 PolarHBondContact O-N 3.48Å; F71-S75 PolarHBondContact O-OG 2.9Å |
| 72 | S | 97.6 | Very high | 95 | Very high | 78 Ų | 78 | 97.3 Ų | 97.3 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.2 | -49.3 | 174.1 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | L68 Q69 Y70 I74 S75 Q76 | L68-S72 WeakPolarHBondContact O-CB 3.28Å; L68-S72 PolarHBondContact O-N 2.87Å; Q69-S72 WeakPolarHBondContact O-CB 3.49Å; Q69-S72 PolarHBondContact O-N 3.23Å; Y70-S72 VanDerWaalsContact C-N 3.3Å; Y70-S72 PolarHBondContact O-N 3.17Å; S72-I74 PolarHBondContact O-N 3.28Å; S72-S75 PolarHBondContact O-N 3.06Å; S72-Q76 PolarHBondContact O-N 3.43Å |
| 73 | H | 97.5 | Very high | 95.7 | Very high | 115 Ų | 115 | 102 Ų | 102 | 53% | 0.532 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 178 | -176.8 | -100.6 | 0 | 0 | 0 | 112.3 | Q69 Y70 S75 Q76 V77 | Q69-H73 PolarHBondContact O-N 3.41Å; Q69-H73 VanDerWaalsContact O-N 3.12Å; Y70-H73 PolarHBondContact O-N 3.12Å; H73-S75 VanDerWaalsContact C-N 3.31Å; H73-S75 PolarHBondContact O-N 3.33Å; H73-Q76 WeakPolarHBondContact O-CB 3.38Å; H73-Q76 PolarHBondContact O-N 2.94Å; H73-V77 WeakPolarHBondContact O-CG2 3.41Å; H73-V77 PolarHBondContact O-N 3.44Å |
| 74 | I | 98.4 | Very high | 96.3 | Very high | 102 Ų | 102 | 101.9 Ų | 101.9 | 52% | 0.523 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 176.9 | -67.7 | 164.8 | 0 | 0 | 0 | 110.7 | Y70 F71 S72 Q76 V77 W78 | Y70-I74 VanDerWaalsContact O-CG1 3.28Å; Y70-I74 WeakPolarHBondContact O-CG1 3.33Å; Y70-I74 PolarHBondContact O-N 3.37Å; F71-I74 PolarHBondContact O-N 3.04Å; S72-I74 PolarHBondContact O-N 3.28Å; I74-Q76 VanDerWaalsContact C-N 3.31Å; I74-Q76 PolarHBondContact O-N 3.41Å; I74-V77 PolarHBondContact O-N 2.87Å; I74-W78 WeakPolarHBondContact O-CB 3.43Å; I74-W78 PolarHBondContact O-N 3.26Å |
| 75 | S | 98.4 | Very high | 96.6 | Very high | 72 Ų | 72 | 101 Ų | 101 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63 | -38.7 | 178.4 | -60.4 | 0 | 0 | 0 | 0 | 111.8 | F71 S72 H73 W78 S79 | F71-S75 VanDerWaalsContact O-CB 3.26Å; F71-S75 WeakPolarHBondContact O-CB 3.45Å; F71-S75 PolarHBondContact O-N 3.48Å; F71-S75 PolarHBondContact O-OG 2.9Å; S72-S75 PolarHBondContact O-N 3.06Å; H73-S75 VanDerWaalsContact C-N 3.31Å; H73-S75 PolarHBondContact O-N 3.33Å; S75-W78 PolarHBondContact O-N 2.85Å; S75-S79 WeakPolarHBondContact O-CB 3.48Å; S75-S79 PolarHBondContact O-N 3.48Å |
| 76 | Q | 98.4 | Very high | 97.1 | Very high | 131 Ų | 131 | 99.8 Ų | 99.8 | 61% | 0.612 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.7 | -48.6 | 175.4 | -171.4 | 179 | 10.9 | 0 | 0 | 111.4 | S72 H73 I74 W78 S79 F80 | S72-Q76 PolarHBondContact O-N 3.43Å; H73-Q76 WeakPolarHBondContact O-CB 3.38Å; H73-Q76 PolarHBondContact O-N 2.94Å; I74-Q76 VanDerWaalsContact C-N 3.31Å; I74-Q76 PolarHBondContact O-N 3.41Å; Q76-W78 VanDerWaalsContact C-N 3.32Å; Q76-W78 PolarHBondContact O-N 3.05Å; Q76-S79 PolarHBondContact O-N 3.31Å; Q76-S79 PolarHBondContact O-OG 3.23Å; Q76-F80 PolarHBondContact O-N 3.42Å |
| 77 | V | 98.6 | Very high | 97.6 | Very high | 59 Ų | 59 | 103.3 Ų | 103.3 | 36% | 0.358 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.6 | -45.8 | 175.9 | 175 | 0 | 0 | 0 | 0 | 110.8 | H73 I74 S79 F80 Q81 | H73-V77 WeakPolarHBondContact O-CG2 3.41Å; H73-V77 PolarHBondContact O-N 3.44Å; I74-V77 PolarHBondContact O-N 2.87Å; V77-S79 PolarHBondContact O-N 3.43Å; V77-F80 PolarHBondContact O-N 2.97Å; V77-Q81 HydrophobicContact CG1-CG 4.47Å; V77-Q81 WeakPolarHBondContact O-CG 3.5Å; V77-Q81 PolarHBondContact O-N 3.14Å |
| 78 | W | 98.6 | Very high | 97.8 | Very high | 160 Ų | 160 | 106 Ų | 106 | 61% | 0.606 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.8 | -44.2 | 177.4 | 176.6 | -102.1 | 0 | 0 | 0 | 112.3 | I74 S75 Q76 F80 Q81 K82 | I74-W78 WeakPolarHBondContact O-CB 3.43Å; I74-W78 PolarHBondContact O-N 3.26Å; S75-W78 PolarHBondContact O-N 2.85Å; Q76-W78 VanDerWaalsContact C-N 3.32Å; Q76-W78 PolarHBondContact O-N 3.05Å; W78-F80 VanDerWaalsContact C-N 3.27Å; W78-F80 PolarHBondContact O-N 2.71Å; W78-Q81 PolarHBondContact O-N 3.43Å; W78-K82 VanDerWaalsContact O-CB 3.31Å; W78-K82 WeakPolarHBondContact O-CB 3.5Å; W78-K82 PolarHBondContact O-N 3.5Å |
| 79 | S | 98.6 | Very high | 98 | Very high | 69 Ų | 69 | 103.6 Ų | 103.6 | 48% | 0.483 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.4 | -39.2 | 179.1 | 75.9 | 0 | 0 | 0 | 0 | 112.3 | S75 Q76 V77 K83 | S75-S79 WeakPolarHBondContact O-CB 3.48Å; S75-S79 PolarHBondContact O-N 3.48Å; Q76-S79 PolarHBondContact O-N 3.31Å; Q76-S79 PolarHBondContact O-OG 3.23Å; V77-S79 PolarHBondContact O-N 3.43Å; S79-K83 WeakPolarHBondContact O-CB 3.36Å; S79-K83 PolarHBondContact O-N 3.44Å |
| 80 | F | 98.6 | Very high | 98.3 | Very high | 127 Ų | 127 | 100.3 Ų | 100.3 | 56% | 0.557 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.2 | -49.5 | 175.2 | 172.4 | -97.3 | 0 | 0 | 0 | 111.2 | Q76 V77 W78 K82 K83 Q84 | Q76-F80 PolarHBondContact O-N 3.42Å; V77-F80 PolarHBondContact O-N 2.97Å; W78-F80 VanDerWaalsContact C-N 3.27Å; W78-F80 PolarHBondContact O-N 2.71Å; F80-K82 VanDerWaalsContact C-N 3.3Å; F80-K82 PolarHBondContact O-N 3.42Å; F80-K83 WeakPolarHBondContact O-CB 3.26Å; F80-K83 PolarHBondContact O-N 2.93Å; F80-Q84 HydrophobicContact CE1-CG 4.04Å; F80-Q84 HydrophobicContact CE2-CG 4.38Å; F80-Q84 HydrophobicContact CZ-CG 3.97Å; F80-Q84 WeakPolarHBondContact O-CG 3.35Å; F80-Q84 PolarHBondContact O-N 3.39Å; F80-Q84 VanDerWaalsContact O-N 3.07Å |
| 81 | Q | 98.7 | Very high | 98.5 | Very high | 98 Ų | 98 | 98.7 Ų | 98.7 | 46% | 0.458 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | 179.4 | -70.4 | 175.4 | -9.4 | 0 | 0 | 111.9 | V77 W78 Q84 T85 | V77-Q81 HydrophobicContact CG1-CG 4.47Å; V77-Q81 WeakPolarHBondContact O-CG 3.5Å; V77-Q81 PolarHBondContact O-N 3.14Å; W78-Q81 PolarHBondContact O-N 3.43Å; Q81-Q84 PolarHBondContact O-N 3.27Å; Q81-T85 PolarHBondContact O-N 3.2Å; Q81-T85 PolarHBondContact O-OG1 3.19Å |
| 82 | K | 98.6 | Very high | 98.5 | Very high | 114 Ų | 114 | 98.5 Ų | 98.5 | 50% | 0.496 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.5 | -47.3 | 175 | -177 | 177.5 | 177.6 | -177.7 | 0 | 111 | W78 F80 Q84 T85 D86 | W78-K82 VanDerWaalsContact O-CB 3.31Å; W78-K82 WeakPolarHBondContact O-CB 3.5Å; W78-K82 PolarHBondContact O-N 3.5Å; F80-K82 VanDerWaalsContact C-N 3.3Å; F80-K82 PolarHBondContact O-N 3.42Å; K82-Q84 VanDerWaalsContact C-N 3.3Å; K82-Q84 PolarHBondContact O-N 3.41Å; K82-T85 CarbonylContact O-C 3.48Å; K82-T85 WeakPolarHBondContact O-CB 3.41Å; K82-T85 PolarHBondContact O-N 3.07Å; K82-T85 VanDerWaalsContact O-N 3.07Å; K82-D86 VanDerWaalsContact O-CG 3.28Å; K82-D86 PolarHBondContact O-N 3.18Å |
| 83 | K | 98.8 | Very high | 98.6 | Very high | 137 Ų | 137 | 101.4 Ų | 101.4 | 60% | 0.596 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.6 | -40.4 | 177.2 | -174.4 | 173.7 | -179.2 | 175.4 | 0 | 112.4 | S79 F80 T85 D86 L87 | S79-K83 WeakPolarHBondContact O-CB 3.36Å; S79-K83 PolarHBondContact O-N 3.44Å; F80-K83 WeakPolarHBondContact O-CB 3.26Å; F80-K83 PolarHBondContact O-N 2.93Å; K83-T85 VanDerWaalsContact C-N 3.35Å; K83-D86 PolarHBondContact O-N 3.4Å; K83-L87 WeakPolarHBondContact O-CG 3.42Å; K83-L87 PolarHBondContact O-N 3.44Å; K83-L87 VanDerWaalsContact O-N 3.11Å |
| 84 | Q | 98.6 | Very high | 98.6 | Very high | 95 Ų | 95 | 102.2 Ų | 102.2 | 44% | 0.444 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 175.2 | -64 | -54.4 | -42.8 | 0 | 0 | 111.9 | F80 Q81 K82 L87 L88 | F80-Q84 HydrophobicContact CE1-CG 4.04Å; F80-Q84 HydrophobicContact CE2-CG 4.38Å; F80-Q84 HydrophobicContact CZ-CG 3.97Å; F80-Q84 WeakPolarHBondContact O-CG 3.35Å; F80-Q84 PolarHBondContact O-N 3.39Å; F80-Q84 VanDerWaalsContact O-N 3.07Å; Q81-Q84 PolarHBondContact O-N 3.27Å; K82-Q84 VanDerWaalsContact C-N 3.3Å; K82-Q84 PolarHBondContact O-N 3.41Å; Q84-L87 PolarHBondContact O-N 3.4Å; Q84-L88 PolarHBondContact O-N 3.03Å |
| 85 | T | 98.6 | Very high | 98.7 | Very high | 81 Ų | 81 | 104.2 Ų | 104.2 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -42.7 | 176.9 | -53.5 | 0 | 0 | 0 | 0 | 111.2 | Q81 K82 K83 L87 L88 V89 | Q81-T85 PolarHBondContact O-N 3.2Å; Q81-T85 PolarHBondContact O-OG1 3.19Å; K82-T85 CarbonylContact O-C 3.48Å; K82-T85 WeakPolarHBondContact O-CB 3.41Å; K82-T85 PolarHBondContact O-N 3.07Å; K82-T85 VanDerWaalsContact O-N 3.07Å; K83-T85 VanDerWaalsContact C-N 3.35Å; T85-L87 VanDerWaalsContact C-N 3.33Å; T85-L87 PolarHBondContact O-N 2.67Å; T85-L88 WeakPolarHBondContact O-CB 3.36Å; T85-L88 PolarHBondContact O-N 3.18Å; T85-V89 HydrophobicContact CG2-CG2 4.38Å; T85-V89 VanDerWaalsContact O-CG2 3.32Å; T85-V89 WeakPolarHBondContact O-CG2 3.31Å; T85-V89 PolarHBondContact O-N 2.92Å |
| 86 | D | 98.8 | Very high | 98.7 | Very high | 85 Ų | 85 | 105 Ų | 105 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 178.8 | -69.9 | -22 | 0 | 0 | 0 | 111.8 | K82 K83 V89 A90 | K82-D86 VanDerWaalsContact O-CG 3.28Å; K82-D86 PolarHBondContact O-N 3.18Å; K83-D86 PolarHBondContact O-N 3.4Å; D86-V89 PolarHBondContact O-N 3.07Å; D86-A90 VanDerWaalsContact O-CB 3.32Å; D86-A90 WeakPolarHBondContact O-CB 3.49Å; D86-A90 PolarHBondContact O-N 3.27Å |
| 87 | L | 98.8 | Very high | 98.7 | Very high | 102 Ų | 102 | 102.4 Ų | 102.4 | 53% | 0.534 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 174 | -71.3 | 172.2 | 0 | 0 | 0 | 111.9 | K83 Q84 T85 A90 F91 | K83-L87 WeakPolarHBondContact O-CG 3.42Å; K83-L87 PolarHBondContact O-N 3.44Å; K83-L87 VanDerWaalsContact O-N 3.11Å; Q84-L87 PolarHBondContact O-N 3.4Å; T85-L87 VanDerWaalsContact C-N 3.33Å; T85-L87 PolarHBondContact O-N 2.67Å; L87-A90 PolarHBondContact O-N 2.82Å; L87-F91 PolarHBondContact O-N 3.05Å |
| 88 | L | 98.6 | Very high | 98.7 | Very high | 93 Ų | 93 | 106.6 Ų | 106.6 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 177.7 | -174.2 | 62.6 | 0 | 0 | 0 | 111.6 | Q84 T85 A90 F91 Y92 | Q84-L88 PolarHBondContact O-N 3.03Å; T85-L88 WeakPolarHBondContact O-CB 3.36Å; T85-L88 PolarHBondContact O-N 3.18Å; L88-A90 VanDerWaalsContact C-N 3.35Å; L88-F91 WeakPolarHBondContact O-CB 3.27Å; L88-F91 PolarHBondContact O-N 3.24Å; L88-Y92 HydrophobicContact CD1-CD2 3.9Å; L88-Y92 HydrophobicContact CD1-CE2 3.37Å; L88-Y92 HydrophobicContact CD2-CE2 4.36Å; L88-Y92 HydrophobicContact CG-CD2 3.93Å; L88-Y92 HydrophobicContact CG-CE2 3.73Å; L88-Y92 VanDerWaalsContact O-CD2 3.27Å; L88-Y92 WeakPolarHBondContact O-CD2 3.37Å; L88-Y92 PolarHBondContact O-N 3.42Å |
| 89 | V | 98.8 | Very high | 98.7 | Very high | 62 Ų | 62 | 104 Ų | 104 | 38% | 0.376 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 176.4 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | T85 D86 F91 Y92 K93 | T85-V89 HydrophobicContact CG2-CG2 4.38Å; T85-V89 VanDerWaalsContact O-CG2 3.32Å; T85-V89 WeakPolarHBondContact O-CG2 3.31Å; T85-V89 PolarHBondContact O-N 2.92Å; D86-V89 PolarHBondContact O-N 3.07Å; V89-F91 PolarHBondContact O-N 2.89Å; V89-Y92 PolarHBondContact O-N 3.4Å; V89-K93 HydrophobicContact CG1-CD 3.91Å; V89-K93 HydrophobicContact CG1-CG 4.31Å; V89-K93 WeakPolarHBondContact O-CB 3.5Å; V89-K93 VanDerWaalsContact O-CG 3.28Å; V89-K93 WeakPolarHBondContact O-CG 3.47Å; V89-K93 PolarHBondContact O-N 3Å |
| 90 | A | 98.8 | Very high | 98.7 | Very high | 56 Ų | 56 | 105.3 Ų | 105.3 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | D86 L87 L88 K93 H94 | D86-A90 VanDerWaalsContact O-CB 3.32Å; D86-A90 WeakPolarHBondContact O-CB 3.49Å; D86-A90 PolarHBondContact O-N 3.27Å; L87-A90 PolarHBondContact O-N 2.82Å; L88-A90 VanDerWaalsContact C-N 3.35Å; A90-K93 PolarHBondContact O-N 2.81Å; A90-H94 WeakPolarHBondContact O-CB 3.32Å; A90-H94 PolarHBondContact O-N 3.32Å |
| 91 | F | 98.7 | Very high | 98.7 | Very high | 108 Ų | 108 | 102.2 Ų | 102.2 | 47% | 0.474 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.3 | -50.4 | 175.7 | 171.8 | -97.3 | 0 | 0 | 0 | 112 | L87 L88 V89 H94 R95 | L87-F91 PolarHBondContact O-N 3.05Å; L88-F91 WeakPolarHBondContact O-CB 3.27Å; L88-F91 PolarHBondContact O-N 3.24Å; V89-F91 PolarHBondContact O-N 2.89Å; F91-H94 PolarHBondContact O-N 3.18Å; F91-R95 PolarHBondContact O-N 2.89Å |
| 92 | Y | 98.8 | Very high | 98.7 | Very high | 125 Ų | 125 | 99.9 Ų | 99.9 | 49% | 0.49 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69 | -37.8 | -179.5 | -75.7 | -61.8 | 0 | 0 | 0 | 112.7 | L88 V89 H94 R95 I96 | L88-Y92 HydrophobicContact CD1-CD2 3.9Å; L88-Y92 HydrophobicContact CD1-CE2 3.37Å; L88-Y92 HydrophobicContact CD2-CE2 4.36Å; L88-Y92 HydrophobicContact CG-CD2 3.93Å; L88-Y92 HydrophobicContact CG-CE2 3.73Å; L88-Y92 VanDerWaalsContact O-CD2 3.27Å; L88-Y92 WeakPolarHBondContact O-CD2 3.37Å; L88-Y92 PolarHBondContact O-N 3.42Å; V89-Y92 PolarHBondContact O-N 3.4Å; Y92-H94 VanDerWaalsContact C-N 3.35Å; Y92-H94 PolarHBondContact O-N 3.33Å; Y92-R95 PolarHBondContact O-N 3.18Å; Y92-I96 WeakPolarHBondContact O-CB 3.32Å; Y92-I96 WeakPolarHBondContact O-CD1 3.38Å; Y92-I96 VanDerWaalsContact O-CG1 3.23Å; Y92-I96 WeakPolarHBondContact O-CG1 3.28Å; Y92-I96 PolarHBondContact O-N 3.29Å |
| 93 | K | 98.8 | Very high | 98.7 | Very high | 139 Ų | 139 | 100 Ų | 100 | 60% | 0.604 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -56.6 | -49.7 | 172.5 | -78.2 | 177.8 | 176.1 | -178.8 | 0 | 111.3 | V89 A90 R95 I96 T97 | V89-K93 HydrophobicContact CG1-CD 3.91Å; V89-K93 HydrophobicContact CG1-CG 4.31Å; V89-K93 WeakPolarHBondContact O-CB 3.5Å; V89-K93 VanDerWaalsContact O-CG 3.28Å; V89-K93 WeakPolarHBondContact O-CG 3.47Å; V89-K93 PolarHBondContact O-N 3Å; A90-K93 PolarHBondContact O-N 2.81Å; K93-R95 VanDerWaalsContact C-N 3.32Å; K93-R95 PolarHBondContact O-N 3.42Å; K93-I96 PolarHBondContact O-N 3.42Å; K93-T97 PolarHBondContact O-N 3.07Å; K93-T97 PolarHBondContact O-OG1 3.06Å; K93-T97 VanDerWaalsContact O-OG1 3.12Å |
| 94 | H | 98.8 | Very high | 98.7 | Very high | 131 Ų | 131 | 99.2 Ų | 99.2 | 61% | 0.606 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.8 | -43.6 | 178.1 | 179 | 66.1 | 0 | 0 | 0 | 112.1 | A90 F91 Y92 T97 K98 | A90-H94 WeakPolarHBondContact O-CB 3.32Å; A90-H94 PolarHBondContact O-N 3.32Å; F91-H94 PolarHBondContact O-N 3.18Å; Y92-H94 VanDerWaalsContact C-N 3.35Å; Y92-H94 PolarHBondContact O-N 3.33Å; H94-T97 PolarHBondContact O-N 3.33Å; H94-K98 WeakPolarHBondContact O-CB 3.43Å; H94-K98 PolarHBondContact O-N 3.41Å |
| 95 | R | 98.7 | Very high | 98.7 | Very high | 145 Ų | 145 | 100.4 Ų | 100.4 | 55% | 0.547 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 178.6 | -176.9 | 169.5 | 165.7 | 148.6 | -4.2 | 112.6 | F91 Y92 K93 K98 L99 | F91-R95 PolarHBondContact O-N 2.89Å; Y92-R95 PolarHBondContact O-N 3.18Å; K93-R95 VanDerWaalsContact C-N 3.32Å; K93-R95 PolarHBondContact O-N 3.42Å; R95-K98 PolarHBondContact O-N 3.11Å; R95-L99 HydrophobicContact CG-CD1 4.26Å; R95-L99 WeakPolarHBondContact O-CG 3.49Å; R95-L99 PolarHBondContact O-N 2.86Å; R95-L99 VanDerWaalsContact O-N 3.07Å |
| 96 | I | 98.8 | Very high | 98.7 | Very high | 88 Ų | 88 | 99.2 Ų | 99.2 | 45% | 0.451 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.2 | -52.8 | 175.4 | -72 | 164 | 0 | 0 | 0 | 109.5 | Y92 K93 K98 L99 E100 | Y92-I96 WeakPolarHBondContact O-CB 3.32Å; Y92-I96 WeakPolarHBondContact O-CD1 3.38Å; Y92-I96 VanDerWaalsContact O-CG1 3.23Å; Y92-I96 WeakPolarHBondContact O-CG1 3.28Å; Y92-I96 PolarHBondContact O-N 3.29Å; K93-I96 PolarHBondContact O-N 3.42Å; I96-K98 VanDerWaalsContact C-N 3.29Å; I96-K98 PolarHBondContact O-N 2.9Å; I96-L99 PolarHBondContact O-N 3.3Å; I96-E100 HydrophobicContact CG2-CG 4.2Å; I96-E100 WeakPolarHBondContact CG2-OE1 3.23Å; I96-E100 WeakPolarHBondContact O-CG 3.33Å; I96-E100 PolarHBondContact O-N 3.47Å |
| 97 | T | 98.8 | Very high | 98.7 | Very high | 77 Ų | 77 | 100.9 Ų | 100.9 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.3 | -42.1 | 179.2 | -56.9 | 0 | 0 | 0 | 0 | 112.1 | K93 H94 L99 E100 T101 | K93-T97 PolarHBondContact O-N 3.07Å; K93-T97 PolarHBondContact O-OG1 3.06Å; K93-T97 VanDerWaalsContact O-OG1 3.12Å; H94-T97 PolarHBondContact O-N 3.33Å; T97-L99 VanDerWaalsContact C-N 3.35Å; T97-L99 PolarHBondContact O-N 3.4Å; T97-E100 PolarHBondContact O-N 3.01Å; T97-T101 PolarHBondContact O-N 2.85Å; T97-T101 PolarHBondContact O-OG1 3.26Å; T97-T101 VanDerWaalsContact O-OG1 3.05Å |
| 98 | K | 98.7 | Very high | 98.7 | Very high | 147 Ų | 147 | 103.1 Ų | 103.1 | 64% | 0.639 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.3 | -42.2 | 176.6 | -175.2 | 176.6 | -178.9 | 176.8 | 0 | 112.4 | H94 R95 I96 A102 | H94-K98 WeakPolarHBondContact O-CB 3.43Å; H94-K98 PolarHBondContact O-N 3.41Å; R95-K98 PolarHBondContact O-N 3.11Å; I96-K98 VanDerWaalsContact C-N 3.29Å; I96-K98 PolarHBondContact O-N 2.9Å; K98-A102 PolarHBondContact O-N 3.38Å; K98-A102 VanDerWaalsContact O-N 3.1Å |
| 99 | L | 98.8 | Very high | 98.7 | Very high | 106 Ų | 106 | 100.6 Ų | 100.6 | 56% | 0.555 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.2 | -38.6 | 177.7 | -71.6 | 171.5 | 0 | 0 | 0 | 111.7 | R95 I96 T97 A102 M103 | R95-L99 HydrophobicContact CG-CD1 4.26Å; R95-L99 WeakPolarHBondContact O-CG 3.49Å; R95-L99 PolarHBondContact O-N 2.86Å; R95-L99 VanDerWaalsContact O-N 3.07Å; I96-L99 PolarHBondContact O-N 3.3Å; T97-L99 VanDerWaalsContact C-N 3.35Å; T97-L99 PolarHBondContact O-N 3.4Å; L99-A102 PolarHBondContact O-N 3.49Å; L99-M103 VanDerWaalsContact O-CB 3.31Å; L99-M103 WeakPolarHBondContact O-CB 3.47Å; L99-M103 PolarHBondContact O-N 2.96Å |
| 100 | E | 98.8 | Very high | 98.6 | Very high | 96 Ų | 96 | 103.1 Ų | 103.1 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 175.4 | -73 | 171.1 | 164.3 | 0 | 0 | 111.5 | I96 T97 M103 Q104 | I96-E100 HydrophobicContact CG2-CG 4.2Å; I96-E100 WeakPolarHBondContact CG2-OE1 3.23Å; I96-E100 WeakPolarHBondContact O-CG 3.33Å; I96-E100 PolarHBondContact O-N 3.47Å; T97-E100 PolarHBondContact O-N 3.01Å; E100-M103 PolarHBondContact O-N 2.98Å; E100-Q104 WeakPolarHBondContact O-CG 3.36Å; E100-Q104 PolarHBondContact O-N 3.04Å |
| 101 | T | 98.7 | Very high | 98.6 | Very high | 61 Ų | 61 | 104 Ų | 104 | 37% | 0.374 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.8 | -48.9 | 174.9 | -51.9 | 0 | 0 | 0 | 0 | 111.4 | T97 M103 Q104 E105 | T97-T101 PolarHBondContact O-N 2.85Å; T97-T101 PolarHBondContact O-OG1 3.26Å; T97-T101 VanDerWaalsContact O-OG1 3.05Å; T101-M103 VanDerWaalsContact C-N 3.26Å; T101-M103 PolarHBondContact O-N 3.44Å; T101-Q104 PolarHBondContact O-N 3.47Å; T101-Q104 VanDerWaalsContact O-N 3.11Å; T101-E105 WeakPolarHBondContact O-CG 3.48Å; T101-E105 PolarHBondContact O-N 3.39Å |
| 102 | A | 98.6 | Very high | 98.6 | Very high | 50 Ų | 50 | 102.1 Ų | 102.1 | 41% | 0.413 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.1 | -36.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K98 L99 A106 | K98-A102 PolarHBondContact O-N 3.38Å; K98-A102 VanDerWaalsContact O-N 3.1Å; L99-A102 PolarHBondContact O-N 3.49Å; A102-A106 WeakPolarHBondContact O-CB 3.35Å; A102-A106 PolarHBondContact O-N 3.12Å |
| 103 | M | 98.7 | Very high | 98.5 | Very high | 115 Ų | 115 | 101.4 Ų | 101.4 | 57% | 0.567 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.3 | -43.6 | 174.7 | -177.9 | -171.3 | 70.3 | 0 | 0 | 111.6 | L99 E100 T101 A106 Q107 | L99-M103 VanDerWaalsContact O-CB 3.31Å; L99-M103 WeakPolarHBondContact O-CB 3.47Å; L99-M103 PolarHBondContact O-N 2.96Å; E100-M103 PolarHBondContact O-N 2.98Å; T101-M103 VanDerWaalsContact C-N 3.26Å; T101-M103 PolarHBondContact O-N 3.44Å; M103-A106 PolarHBondContact O-N 3.36Å; M103-Q107 WeakPolarHBondContact O-CB 3.39Å; M103-Q107 PolarHBondContact O-N 2.85Å |
| 104 | Q | 98.6 | Very high | 98.5 | Very high | 121 Ų | 121 | 99.4 Ų | 99.4 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.3 | -43.8 | 176.9 | -73.7 | 174.7 | -6.8 | 0 | 0 | 111.8 | E100 T101 Q107 Q108 | E100-Q104 WeakPolarHBondContact O-CG 3.36Å; E100-Q104 PolarHBondContact O-N 3.04Å; T101-Q104 PolarHBondContact O-N 3.47Å; T101-Q104 VanDerWaalsContact O-N 3.11Å; Q104-Q107 PolarHBondContact O-N 3.42Å; Q104-Q108 WeakPolarHBondContact O-CB 3.34Å; Q104-Q108 PolarHBondContact O-N 2.9Å |
| 105 | E | 98.5 | Very high | 98.5 | Very high | 121 Ų | 121 | 99.9 Ų | 99.9 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.9 | -46.7 | 175.7 | -71.6 | 173.1 | 179.2 | 0 | 0 | 111.5 | T101 Q107 Q108 A109 | T101-E105 WeakPolarHBondContact O-CG 3.48Å; T101-E105 PolarHBondContact O-N 3.39Å; E105-Q107 VanDerWaalsContact C-N 3.34Å; E105-Q107 PolarHBondContact O-N 3.27Å; E105-Q108 PolarHBondContact O-N 2.99Å; E105-A109 PolarHBondContact O-N 3.29Å |
| 106 | A | 98.5 | Very high | 98.4 | Very high | 55 Ų | 55 | 98.9 Ų | 98.9 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -41.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A102 M103 A109 L110 | A102-A106 WeakPolarHBondContact O-CB 3.35Å; A102-A106 PolarHBondContact O-N 3.12Å; M103-A106 PolarHBondContact O-N 3.36Å; A106-A109 PolarHBondContact O-N 3Å; A106-L110 WeakPolarHBondContact O-CG 3.37Å; A106-L110 PolarHBondContact O-N 3.46Å |
| 107 | Q | 98.6 | Very high | 98.4 | Very high | 121 Ų | 121 | 98.5 Ų | 98.5 | 57% | 0.565 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.7 | -41.3 | 176.4 | -174.5 | 170.8 | 5.6 | 0 | 0 | 111.7 | M103 Q104 E105 L110 V111 | M103-Q107 WeakPolarHBondContact O-CB 3.39Å; M103-Q107 PolarHBondContact O-N 2.85Å; Q104-Q107 PolarHBondContact O-N 3.42Å; E105-Q107 VanDerWaalsContact C-N 3.34Å; E105-Q107 PolarHBondContact O-N 3.27Å; Q107-L110 PolarHBondContact O-N 2.89Å; Q107-V111 WeakPolarHBondContact O-CG2 3.31Å; Q107-V111 PolarHBondContact O-N 2.99Å |
| 108 | Q | 98.4 | Very high | 98.4 | Very high | 148 Ų | 148 | 97.3 Ų | 97.3 | 69% | 0.692 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.7 | -41.2 | 176.5 | -170.5 | 172.8 | 9 | 0 | 0 | 111.8 | Q104 E105 V111 S112 | Q104-Q108 WeakPolarHBondContact O-CB 3.34Å; Q104-Q108 PolarHBondContact O-N 2.9Å; E105-Q108 PolarHBondContact O-N 2.99Å; Q108-V111 PolarHBondContact O-N 3.31Å; Q108-S112 PolarHBondContact O-N 3.3Å; Q108-S112 PolarHBondContact O-OG 3.38Å |
| 109 | A | 98.2 | Very high | 98.3 | Very high | 41 Ų | 41 | 93.9 Ų | 93.9 | 34% | 0.339 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -38.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E105 A106 S112 Q113 | E105-A109 PolarHBondContact O-N 3.29Å; A106-A109 PolarHBondContact O-N 3Å; A109-S112 WeakPolarHBondContact CA-OG 3.48Å; A109-S112 PolarHBondContact O-N 3.05Å; A109-S112 PolarHBondContact O-OG 2.99Å; A109-Q113 WeakPolarHBondContact O-CB 3.37Å; A109-Q113 WeakPolarHBondContact O-CG 3.48Å; A109-Q113 PolarHBondContact O-N 3.39Å |
| 110 | L | 98.4 | Very high | 98.3 | Very high | 115 Ų | 115 | 93 Ų | 93 | 60% | 0.602 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.4 | -43.8 | 173.9 | -74.4 | 173.6 | 0 | 0 | 0 | 111.6 | A106 Q107 S112 Q113 D114 | A106-L110 WeakPolarHBondContact O-CG 3.37Å; A106-L110 PolarHBondContact O-N 3.46Å; Q107-L110 PolarHBondContact O-N 2.89Å; L110-S112 VanDerWaalsContact C-N 3.32Å; L110-S112 PolarHBondContact O-N 3.38Å; L110-Q113 PolarHBondContact O-N 3.1Å; L110-D114 WeakPolarHBondContact O-CB 3.37Å; L110-D114 PolarHBondContact O-N 3.34Å |
| 111 | V | 98.2 | Very high | 98.3 | Very high | 75 Ų | 75 | 96.3 Ų | 96.3 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 176.9 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | Q107 Q108 K115 | Q107-V111 WeakPolarHBondContact O-CG2 3.31Å; Q107-V111 PolarHBondContact O-N 2.99Å; Q108-V111 PolarHBondContact O-N 3.31Å; V111-K115 WeakPolarHBondContact O-CG 3.34Å; V111-K115 PolarHBondContact O-N 3.44Å |
| 112 | S | 97.9 | Very high | 98.2 | Very high | 67 Ų | 67 | 100.2 Ų | 100.2 | 47% | 0.469 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.5 | -42.6 | 175.7 | 61.6 | 0 | 0 | 0 | 0 | 112.2 | Q108 A109 L110 D114 K115 E116 | Q108-S112 PolarHBondContact O-N 3.3Å; Q108-S112 PolarHBondContact O-OG 3.38Å; A109-S112 WeakPolarHBondContact CA-OG 3.48Å; A109-S112 PolarHBondContact O-N 3.05Å; A109-S112 PolarHBondContact O-OG 2.99Å; L110-S112 VanDerWaalsContact C-N 3.32Å; L110-S112 PolarHBondContact O-N 3.38Å; S112-D114 PolarHBondContact O-N 2.95Å; S112-K115 WeakPolarHBondContact O-CB 3.42Å; S112-K115 PolarHBondContact O-N 2.97Å; S112-E116 PolarHBondContact O-N 3.25Å |
| 113 | Q | 98.2 | Very high | 98.2 | Very high | 110 Ų | 110 | 102.4 Ų | 102.4 | 51% | 0.514 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 176.6 | -75.6 | -176.9 | 15.3 | 0 | 0 | 112.1 | A109 L110 K115 E116 L117 | A109-Q113 WeakPolarHBondContact O-CB 3.37Å; A109-Q113 WeakPolarHBondContact O-CG 3.48Å; A109-Q113 PolarHBondContact O-N 3.39Å; L110-Q113 PolarHBondContact O-N 3.1Å; Q113-K115 VanDerWaalsContact C-N 3.32Å; Q113-K115 PolarHBondContact O-N 2.94Å; Q113-E116 PolarHBondContact O-N 3.45Å; Q113-L117 WeakPolarHBondContact O-CB 3.18Å; Q113-L117 WeakPolarHBondContact O-CG 3.3Å; Q113-L117 PolarHBondContact O-N 3.49Å |
| 114 | D | 98.1 | Very high | 98.1 | Very high | 98 Ų | 98 | 100.6 Ų | 100.6 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.6 | -37.4 | 177.6 | -170.9 | 62.2 | 0 | 0 | 0 | 112.1 | L110 S112 L117 S118 | L110-D114 WeakPolarHBondContact O-CB 3.37Å; L110-D114 PolarHBondContact O-N 3.34Å; S112-D114 PolarHBondContact O-N 2.95Å; D114-L117 PolarHBondContact O-N 2.9Å; D114-S118 WeakPolarHBondContact O-CB 3.11Å; D114-S118 PolarHBondContact O-N 3.26Å |
| 115 | K | 98 | Very high | 98 | Very high | 140 Ų | 140 | 96.1 Ų | 96.1 | 61% | 0.609 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.1 | -47.4 | 172 | -71.6 | 173.6 | -177.3 | 179.4 | 0 | 111.7 | V111 S112 Q113 S118 V119 | V111-K115 WeakPolarHBondContact O-CG 3.34Å; V111-K115 PolarHBondContact O-N 3.44Å; S112-K115 WeakPolarHBondContact O-CB 3.42Å; S112-K115 PolarHBondContact O-N 2.97Å; Q113-K115 VanDerWaalsContact C-N 3.32Å; Q113-K115 PolarHBondContact O-N 2.94Å; K115-S118 WeakPolarHBondContact O-CB 3.39Å; K115-S118 PolarHBondContact O-N 3.3Å; K115-V119 WeakPolarHBondContact O-CG2 3.32Å; K115-V119 PolarHBondContact O-N 3.33Å |
| 116 | E | 97.9 | Very high | 98 | Very high | 124 Ų | 124 | 95.6 Ų | 95.6 | 58% | 0.579 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.9 | -45.7 | 177.7 | -172.8 | -180 | 173.8 | 0 | 0 | 111.5 | S112 Q113 S118 V119 L120 | S112-E116 PolarHBondContact O-N 3.25Å; Q113-E116 PolarHBondContact O-N 3.45Å; E116-S118 VanDerWaalsContact C-N 3.27Å; E116-S118 PolarHBondContact O-N 3.05Å; E116-V119 WeakPolarHBondContact O-CB 3.36Å; E116-V119 PolarHBondContact O-N 2.93Å; E116-V119 VanDerWaalsContact O-N 3.11Å; E116-L120 HydrophobicContact CG-CD1 4.25Å; E116-L120 WeakPolarHBondContact O-CG 3.47Å; E116-L120 PolarHBondContact O-N 3.11Å |
| 117 | L | 98.1 | Very high | 97.9 | Very high | 81 Ų | 81 | 98 Ų | 98 | 42% | 0.424 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.7 | -37.8 | 174.9 | -75.5 | 175.1 | 0 | 0 | 0 | 112.1 | Q113 D114 R121 | Q113-L117 WeakPolarHBondContact O-CB 3.18Å; Q113-L117 WeakPolarHBondContact O-CG 3.3Å; Q113-L117 PolarHBondContact O-N 3.49Å; D114-L117 PolarHBondContact O-N 2.9Å; L117-R121 VanDerWaalsContact O-CB 3.3Å; L117-R121 WeakPolarHBondContact O-CB 3.47Å; L117-R121 WeakPolarHBondContact O-CG 3.48Å; L117-R121 PolarHBondContact O-N 3.44Å |
| 118 | S | 98.1 | Very high | 97.7 | Very high | 51 Ų | 51 | 98.7 Ų | 98.7 | 36% | 0.357 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 175 | -172.5 | 0 | 0 | 0 | 0 | 112 | D114 K115 E116 K122 | D114-S118 WeakPolarHBondContact O-CB 3.11Å; D114-S118 PolarHBondContact O-N 3.26Å; K115-S118 WeakPolarHBondContact O-CB 3.39Å; K115-S118 PolarHBondContact O-N 3.3Å; E116-S118 VanDerWaalsContact C-N 3.27Å; E116-S118 PolarHBondContact O-N 3.05Å; S118-K122 WeakPolarHBondContact O-CG 3.43Å; S118-K122 PolarHBondContact O-N 2.98Å |
| 119 | V | 98.2 | Very high | 97.6 | Very high | 76 Ų | 76 | 98.5 Ų | 98.5 | 46% | 0.461 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -52.7 | 174.8 | 174.2 | 0 | 0 | 0 | 0 | 110.6 | K115 E116 R121 K122 E123 | K115-V119 WeakPolarHBondContact O-CG2 3.32Å; K115-V119 PolarHBondContact O-N 3.33Å; E116-V119 WeakPolarHBondContact O-CB 3.36Å; E116-V119 PolarHBondContact O-N 2.93Å; E116-V119 VanDerWaalsContact O-N 3.11Å; V119-R121 VanDerWaalsContact C-N 3.27Å; V119-R121 PolarHBondContact O-N 3.35Å; V119-K122 WeakPolarHBondContact O-CB 3.37Å; V119-K122 PolarHBondContact O-N 2.91Å; V119-E123 HydrophobicContact CG1-CG 4.47Å; V119-E123 PolarHBondContact O-N 3.32Å |
| 120 | L | 98.1 | Very high | 97.3 | Very high | 86 Ų | 86 | 102.9 Ų | 102.9 | 45% | 0.45 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.5 | -36.6 | 179.6 | -70.3 | 173.6 | 0 | 0 | 0 | 112.4 | E116 K122 N124 | E116-L120 HydrophobicContact CG-CD1 4.25Å; E116-L120 WeakPolarHBondContact O-CG 3.47Å; E116-L120 PolarHBondContact O-N 3.11Å; L120-K122 VanDerWaalsContact C-N 3.35Å; L120-N124 WeakPolarHBondContact O-CB 3.41Å; L120-N124 PolarHBondContact O-N 3.07Å |
| 121 | R | 97.8 | Very high | 97 | Very high | 166 Ų | 166 | 102 Ų | 102 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63 | -39.4 | 174.5 | -80.3 | 172.6 | -179.9 | 150.3 | 1.1 | 112.2 | L117 V119 G125 | L117-R121 VanDerWaalsContact O-CB 3.3Å; L117-R121 WeakPolarHBondContact O-CB 3.47Å; L117-R121 WeakPolarHBondContact O-CG 3.48Å; L117-R121 PolarHBondContact O-N 3.44Å; V119-R121 VanDerWaalsContact C-N 3.27Å; V119-R121 PolarHBondContact O-N 3.35Å; R121-G125 PolarHBondContact O-N 3.49Å |
| 122 | K | 97.7 | Very high | 96.7 | Very high | 143 Ų | 143 | 100.7 Ų | 100.7 | 62% | 0.622 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.4 | -50.9 | 176.5 | -70.3 | 174.9 | -176.4 | -178.5 | 0 | 111 | S118 V119 L120 N124 G125 E126 | S118-K122 WeakPolarHBondContact O-CG 3.43Å; S118-K122 PolarHBondContact O-N 2.98Å; V119-K122 WeakPolarHBondContact O-CB 3.37Å; V119-K122 PolarHBondContact O-N 2.91Å; L120-K122 VanDerWaalsContact C-N 3.35Å; K122-N124 VanDerWaalsContact C-N 3.32Å; K122-N124 PolarHBondContact O-N 3.25Å; K122-G125 WeakPolarHBondContact O-CA 3.38Å; K122-G125 PolarHBondContact O-N 2.91Å; K122-E126 PolarHBondContact O-N 3.23Å |
| 123 | E | 97.4 | Very high | 96.4 | Very high | 96 Ų | 96 | 102.2 Ų | 102.2 | 45% | 0.449 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.9 | -43.9 | 177.2 | -67.8 | 176.3 | 179.3 | 0 | 0 | 111.6 | V119 G125 E126 L127 | V119-E123 HydrophobicContact CG1-CG 4.47Å; V119-E123 PolarHBondContact O-N 3.32Å; E123-G125 VanDerWaalsContact C-N 3.27Å; E123-G125 PolarHBondContact O-N 3.33Å; E123-E126 PolarHBondContact O-N 2.87Å; E123-E126 VanDerWaalsContact O-N 3.16Å; E123-L127 WeakPolarHBondContact O-CG 3.48Å; E123-L127 PolarHBondContact O-N 2.9Å |
| 124 | N | 97.6 | Very high | 95.8 | Very high | 77 Ų | 77 | 103.1 Ų | 103.1 | 41% | 0.412 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.6 | -37.6 | 176 | -165.3 | -92 | 0 | 0 | 0 | 112 | L120 K122 K128 | L120-N124 WeakPolarHBondContact O-CB 3.41Å; L120-N124 PolarHBondContact O-N 3.07Å; K122-N124 VanDerWaalsContact C-N 3.32Å; K122-N124 PolarHBondContact O-N 3.25Å; N124-K128 WeakPolarHBondContact O-CB 3.49Å; N124-K128 VanDerWaalsContact O-CG 3.32Å; N124-K128 WeakPolarHBondContact O-CG 3.32Å; N124-K128 PolarHBondContact O-N 2.83Å; N124-K128 WeakPolarHBondContact OD1-CE 3.43Å; N124-K128 PolarHBondContact OD1-NZ 3.31Å |
| 125 | G | 97.3 | Very high | 95.2 | Very high | 28 Ų | 28 | 106.6 Ų | 106.6 | 29% | 0.289 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R121 K122 E123 K128 K129 | R121-G125 PolarHBondContact O-N 3.49Å; K122-G125 WeakPolarHBondContact O-CA 3.38Å; K122-G125 PolarHBondContact O-N 2.91Å; E123-G125 VanDerWaalsContact C-N 3.27Å; E123-G125 PolarHBondContact O-N 3.33Å; G125-K128 PolarHBondContact O-N 3.26Å; G125-K129 WeakPolarHBondContact O-CG 3.42Å; G125-K129 PolarHBondContact O-N 2.93Å; G125-K129 VanDerWaalsContact O-N 3.16Å |
| 126 | E | 96.8 | Very high | 94.1 | Very high | 109 Ų | 109 | 107.7 Ų | 107.7 | 51% | 0.509 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.1 | -47 | 176.1 | -68.7 | 176.2 | 177.9 | 0 | 0 | 111.9 | K122 E123 K128 K129 F130 | K122-E126 PolarHBondContact O-N 3.23Å; E123-E126 PolarHBondContact O-N 2.87Å; E123-E126 VanDerWaalsContact O-N 3.16Å; E126-K128 VanDerWaalsContact C-N 3.29Å; E126-K128 PolarHBondContact O-N 3.05Å; E126-K129 WeakPolarHBondContact O-CB 3.36Å; E126-K129 PolarHBondContact O-N 2.82Å; E126-F130 WeakPolarHBondContact O-CD2 3.48Å; E126-F130 PolarHBondContact O-N 2.91Å |
| 127 | L | 96.6 | Very high | 92.4 | Very high | 106 Ų | 106 | 105.4 Ų | 105.4 | 56% | 0.555 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.7 | -40.5 | 175.8 | -70.1 | 173.2 | 0 | 0 | 0 | 112.1 | E123 K129 F130 L131 | E123-L127 WeakPolarHBondContact O-CG 3.48Å; E123-L127 PolarHBondContact O-N 2.9Å; L127-K129 VanDerWaalsContact C-N 3.33Å; L127-K129 PolarHBondContact O-N 3.11Å; L127-F130 PolarHBondContact O-N 3.49Å; L127-L131 WeakPolarHBondContact O-CG 3.38Å; L127-L131 PolarHBondContact O-N 3.21Å |
| 128 | K | 95.8 | Very high | 90.8 | Very high | 135 Ų | 135 | 107.3 Ų | 107.3 | 59% | 0.587 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.1 | -38.5 | 174.5 | -80.3 | 171.4 | 174.7 | 159 | 0 | 112.6 | N124 G125 E126 L131 A132 | N124-K128 WeakPolarHBondContact O-CB 3.49Å; N124-K128 VanDerWaalsContact O-CG 3.32Å; N124-K128 WeakPolarHBondContact O-CG 3.32Å; N124-K128 PolarHBondContact O-N 2.83Å; N124-K128 WeakPolarHBondContact OD1-CE 3.43Å; N124-K128 PolarHBondContact OD1-NZ 3.31Å; G125-K128 PolarHBondContact O-N 3.26Å; E126-K128 VanDerWaalsContact C-N 3.29Å; E126-K128 PolarHBondContact O-N 3.05Å; K128-L131 PolarHBondContact O-N 3.44Å; K128-A132 PolarHBondContact O-N 3.05Å |
| 129 | K | 95.2 | Very high | 88.8 | Confident | 145 Ų | 145 | 109.3 Ų | 109.3 | 63% | 0.63 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.5 | -46 | 174.6 | -68.7 | 171.9 | -176.7 | 177 | 0 | 111.2 | G125 E126 L127 L131 A132 I133 | G125-K129 WeakPolarHBondContact O-CG 3.42Å; G125-K129 PolarHBondContact O-N 2.93Å; G125-K129 VanDerWaalsContact O-N 3.16Å; E126-K129 WeakPolarHBondContact O-CB 3.36Å; E126-K129 PolarHBondContact O-N 2.82Å; L127-K129 VanDerWaalsContact C-N 3.33Å; L127-K129 PolarHBondContact O-N 3.11Å; K129-L131 VanDerWaalsContact C-N 3.34Å; K129-L131 PolarHBondContact O-N 3.07Å; K129-A132 WeakPolarHBondContact O-CB 3.22Å; K129-A132 PolarHBondContact O-N 3.37Å; K129-I133 WeakPolarHBondContact O-CG1 3.2Å; K129-I133 PolarHBondContact O-N 3.36Å; K129-I133 VanDerWaalsContact O-N 3.09Å |
| 130 | F | 93.1 | Very high | 86.4 | Confident | 132 Ų | 132 | 116.3 Ų | 116.3 | 58% | 0.579 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -59.5 | -43.9 | 175.9 | -72.3 | -61.6 | 0 | 0 | 0 | 112.3 | E126 L127 A132 I133 L134 | E126-F130 WeakPolarHBondContact O-CD2 3.48Å; E126-F130 PolarHBondContact O-N 2.91Å; L127-F130 PolarHBondContact O-N 3.49Å; F130-A132 VanDerWaalsContact C-N 3.32Å; F130-A132 PolarHBondContact O-N 2.84Å; F130-I133 PolarHBondContact O-N 2.99Å; F130-L134 WeakPolarHBondContact O-CG 3.43Å; F130-L134 PolarHBondContact O-N 3.43Å |
| 131 | L | 92.1 | Very high | 84.2 | Confident | 97 Ų | 97 | 123 Ų | 123 | 51% | 0.508 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.9 | -36.2 | 176 | -73.9 | 175 | 0 | 0 | 0 | 113 | L127 K128 K129 K135 | L127-L131 WeakPolarHBondContact O-CG 3.38Å; L127-L131 PolarHBondContact O-N 3.21Å; K128-L131 PolarHBondContact O-N 3.44Å; K129-L131 VanDerWaalsContact C-N 3.34Å; K129-L131 PolarHBondContact O-N 3.07Å; L131-K135 WeakPolarHBondContact O-CG 3.41Å; L131-K135 PolarHBondContact O-N 3.01Å; L131-K135 VanDerWaalsContact O-N 3.1Å |
| 132 | A | 91.6 | Very high | 82.1 | Confident | 48 Ų | 48 | 124.7 Ų | 124.7 | 40% | 0.397 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.4 | -47.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | K128 K129 F130 L134 K135 E136 | K128-A132 PolarHBondContact O-N 3.05Å; K129-A132 WeakPolarHBondContact O-CB 3.22Å; K129-A132 PolarHBondContact O-N 3.37Å; F130-A132 VanDerWaalsContact C-N 3.32Å; F130-A132 PolarHBondContact O-N 2.84Å; A132-L134 VanDerWaalsContact C-N 3.32Å; A132-L134 PolarHBondContact O-N 3.42Å; A132-K135 PolarHBondContact O-N 3.18Å; A132-E136 PolarHBondContact O-N 3Å |
| 133 | I | 90.3 | Very high | 79.9 | Confident | 98 Ų | 98 | 121 Ų | 121 | 50% | 0.503 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -57.9 | -44.1 | 176.7 | -64.7 | 165.2 | 0 | 0 | 0 | 111.3 | K129 F130 K135 E136 S137 | K129-I133 WeakPolarHBondContact O-CG1 3.2Å; K129-I133 PolarHBondContact O-N 3.36Å; K129-I133 VanDerWaalsContact O-N 3.09Å; F130-I133 PolarHBondContact O-N 2.99Å; I133-K135 VanDerWaalsContact C-N 3.28Å; I133-K135 PolarHBondContact O-N 3.34Å; I133-E136 PolarHBondContact O-N 3.45Å; I133-S137 PolarHBondContact O-N 2.89Å; I133-S137 PolarHBondContact O-OG 3.02Å |
| 134 | L | 87.1 | Confident | 77.7 | Confident | 129 Ų | 129 | 120.9 Ų | 120.9 | 68% | 0.675 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.7 | -32.6 | 177.2 | -72.2 | 173.5 | 0 | 0 | 0 | 112.7 | F130 A132 | F130-L134 WeakPolarHBondContact O-CG 3.43Å; F130-L134 PolarHBondContact O-N 3.43Å; A132-L134 VanDerWaalsContact C-N 3.32Å; A132-L134 PolarHBondContact O-N 3.42Å |
| 135 | K | 83.5 | Confident | 75.7 | Confident | 172 Ų | 172 | 129.5 Ų | 129.5 | 75% | 0.748 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -81.6 | -36.3 | 178.1 | -75.4 | 179.1 | 178.7 | -175.8 | 0 | 113.4 | L131 A132 I133 S137 | L131-K135 WeakPolarHBondContact O-CG 3.41Å; L131-K135 PolarHBondContact O-N 3.01Å; L131-K135 VanDerWaalsContact O-N 3.1Å; A132-K135 PolarHBondContact O-N 3.18Å; I133-K135 VanDerWaalsContact C-N 3.28Å; I133-K135 PolarHBondContact O-N 3.34Å; K135-S137 PolarHBondContact O-N 3.35Å |
| 136 | E | 76.6 | Confident | 73.7 | Confident | 162 Ų | 162 | 132.2 Ų | 132.2 | 76% | 0.757 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -73 | -12.7 | 176.9 | -100.2 | 177.5 | 168.4 | 0 | 0 | 113.2 | A132 I133 P138 | A132-E136 PolarHBondContact O-N 3Å; I133-E136 PolarHBondContact O-N 3.45Å; E136-P138 WeakPolarHBondContact O-CD 3.41Å |
| 137 | S | 60.6 | Low | 71.6 | Confident | 76 Ų | 76 | 133.3 Ų | 133.3 | 53% | 0.531 | 68% | 0.68 | S | S | . | * | trans | -91.9 | 93 | 173.2 | -57.7 | 0 | 0 | 0 | 0 | 110.8 | I133 K135 S139 | I133-S137 PolarHBondContact O-N 2.89Å; I133-S137 PolarHBondContact O-OG 3.02Å; K135-S137 PolarHBondContact O-N 3.35Å; S137-S139 PolarHBondContact O-N 3.16Å | ||
| 138 | P | 64.5 | Low | 69.7 | Low | 122 Ų | 122 | 134.5 Ų | 134.5 | 79% | 0.792 | 69% | 0.692 | S | S | * | * | trans | -97.9 | 77.1 | -178.4 | 22.5 | 0.6 | 0 | 0 | 0 | 108.5 | E136 | E136-P138 WeakPolarHBondContact O-CD 3.41Š| ||
| 139 | S | 56.6 | Low | 67.7 | Low | 93 Ų | 93 | 133.4 Ų | 133.4 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | trans | 175.7 | 125.7 | 175.9 | 143 | 0 | 0 | 0 | 0 | 110.1 | S137 | S137-S139 PolarHBondContact O-N 3.16Š| ||
| 140 | R | 48.3 | Very low | 65.9 | Low | 222 Ų | 222 | 137.4 Ų | 137.4 | 84% | 0.838 | 71% | 0.71 | S | S | * | * | S | Bend | cis | -149.3 | 84.9 | 21.4 | -56.3 | -176.8 | -179.3 | 179.8 | -1.7 | 111.4 | ||
| 141 | Y | 51.8 | Low | 64.2 | Low | 228 Ų | 228 | 137.4 Ų | 137.4 | 89% | 0.894 | 72% | 0.723 | S | S | * | * | trans | -130.4 | 50.5 | 160.3 | -104.5 | -87.2 | 0 | 0 | 0 | 110.7 | ||||
| 142 | Q | 53.7 | Low | 62.4 | Low | 201 Ų | 201 | 138.7 Ų | 138.7 | 94% | 0.939 | 73% | 0.734 | S | S | * | * | trans | -100.8 | 86.2 | 152.7 | -167.8 | 159.7 | 7.9 | 0 | 0 | 106.7 | ||||
| 143 | G | 51.2 | Low | 60.5 | Low | 65 Ų | 65 | 140 Ų | 140 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | trans | 154.3 | 71.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 144 | S | 51.4 | Low | 58.7 | Low | 93 Ų | 93 | 142.7 Ų | 142.7 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | trans | -163.3 | 71.2 | 136.1 | -161.4 | 0 | 0 | 0 | 0 | 109.7 | S146 | S144-S146 PolarHBondContact O-N 2.88Š| ||
| 145 | R | 56.2 | Low | 56.8 | Low | 258 Ų | 258 | 143 Ų | 143 | 97% | 0.974 | 77% | 0.774 | S | S | * | * | trans | -84.6 | 69.9 | 156.7 | -82 | -172.8 | 170.8 | -171 | -1.4 | 108 | ||||
| 146 | S | 54.8 | Low | 54.9 | Low | 85 Ų | 85 | 140 Ų | 140 | 59% | 0.594 | 78% | 0.775 | S | S | * | * | trans | -175.8 | 94.3 | 167.4 | 44.1 | 0 | 0 | 0 | 0 | 110.1 | S144 | S144-S146 PolarHBondContact O-N 2.88Š| ||
| 147 | T | 53.5 | Low | 53.8 | Low | 132 Ų | 132 | 138.5 Ų | 138.5 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | 175.5 | 72.8 | 131.5 | -65.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 148 | T | 55.6 | Low | 53 | Low | 132 Ų | 132 | 139.7 Ų | 139.7 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 116.2 | 146.7 | 27.8 | 0 | 0 | 0 | 0 | 106 | R150 | T148-R150 PolarHBondContact O-N 3.38Š|
| 149 | P | 54.3 | Low | 52.3 | Low | 111 Ų | 111 | 143 Ų | 143 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 129.9 | 170.2 | -16.1 | 29.3 | 0 | 0 | 0 | 108.7 | ||
| 150 | R | 57.9 | Low | 51.8 | Low | 230 Ų | 230 | 143 Ų | 143 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 138.8 | 172.9 | -70.2 | -180 | 177.1 | -115.6 | 1.6 | 108.9 | T148 V152 | T148-R150 PolarHBondContact O-N 3.38Å; R150-V152 PolarHBondContact O-N 3.09Å |
| 151 | P | 55.8 | Low | 51.6 | Low | 131 Ų | 131 | 139 Ų | 139 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 117 | 168.1 | -4.1 | 18.6 | 0 | 0 | 0 | 108 | G153 | P151-G153 PolarHBondContact O-N 3.06Š|
| 152 | V | 55.4 | Low | 51.3 | Low | 124 Ų | 124 | 133.7 Ų | 133.7 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | -75.4 | 113.1 | 168.1 | -172.9 | 0 | 0 | 0 | 0 | 106.4 | R150 I154 | R150-V152 PolarHBondContact O-N 3.09Å; V152-I154 PolarHBondContact O-N 3.16Å; V152-I154 VanDerWaalsContact O-N 3.1Å | ||
| 153 | G | 50.7 | Low | 51.2 | Low | 77 Ų | 77 | 130 Ų | 130 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | -68.8 | 101.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | P151 | P151-G153 PolarHBondContact O-N 3.06Š| ||
| 154 | I | 52.7 | Low | 51.1 | Low | 154 Ų | 154 | 137.2 Ų | 137.2 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -102.4 | 106.9 | 164.1 | -1.5 | 177.1 | 0 | 0 | 0 | 106.6 | V152 | V152-I154 PolarHBondContact O-N 3.16Å; V152-I154 VanDerWaalsContact O-N 3.1Å | ||
| 155 | T | 46.9 | Very low | 50.8 | Low | 135 Ų | 135 | 138.5 Ų | 138.5 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | trans | -55.5 | 138 | 168.9 | 39.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 156 | S | 43.8 | Very low | 50.4 | Low | 110 Ų | 110 | 129.4 Ų | 129.4 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -56.4 | 166.2 | 177.7 | -51.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 157 | P | 53.3 | Low | 49.8 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | -134.3 | 152.1 | 112.3 | 25.2 | -7.5 | 0 | 0 | 0 | 114.9 | |||||
| 158 | S | 44 | Very low | 49.6 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | -56.8 | 159.3 | -178.2 | -45.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 159 | Q | 49.4 | Very low | 48.8 | Very low | 190 Ų | 190 | 138.6 Ų | 138.6 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | 120 | 135.6 | 155.3 | -67.8 | 169.2 | 72.4 | 0 | 0 | 111.6 | ||||
| 160 | S | 46.1 | Very low | 48.1 | Very low | 95 Ų | 95 | 138 Ų | 138 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | cis | -179.1 | 159.2 | -15.6 | 45.6 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 161 | V | 44.3 | Very low | 47.6 | Very low | 137 Ų | 137 | 131.7 Ų | 131.7 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | trans | 88.4 | 111.4 | 160.2 | -166.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 162 | T | 47.2 | Very low | 47.1 | Very low | 117 Ų | 117 | 134 Ų | 134 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | trans | -64 | 159.9 | 165.3 | -22.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 163 | P | 50.3 | Low | 46.6 | Very low | 122 Ų | 122 | 135 Ų | 135 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | -143 | 149.2 | 88.2 | 30.1 | -10.6 | 0 | 0 | 0 | 115.3 | |||||
| 164 | R | 49 | Very low | 46.2 | Very low | 218 Ų | 218 | 137.3 Ų | 137.3 | 82% | 0.823 | 77% | 0.772 | S | S | * | * | trans | -73.7 | 146.2 | 170.1 | -177 | -178.8 | -176.5 | -143.9 | 3.4 | 110 | ||||
| 165 | P | 45.2 | Very low | 45.8 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | -129.3 | 146.3 | 125.2 | 13.4 | 7.2 | 0 | 0 | 0 | 113 | |||||
| 166 | S | 47.1 | Very low | 45.5 | Very low | 67 Ų | 67 | 140.1 Ų | 140.1 | 47% | 0.469 | 77% | 0.773 | S | S | . | * | trans | -48 | 149.9 | 170.6 | 50 | 0 | 0 | 0 | 0 | 114 | ||||
| 167 | F | 42.9 | Very low | 45.3 | Very low | 200 Ų | 200 | 140.4 Ų | 140.4 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | -163.9 | 153.4 | 117.6 | -90 | -66.7 | 0 | 0 | 0 | 110 | |||||
| 168 | Q | 49 | Very low | 44.4 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | -83.3 | -178.3 | -161.8 | -65.5 | 164.5 | -31.3 | 0 | 0 | 112.9 | ||||
| 169 | H | 38.5 | Very low | 44.3 | Very low | 182 Ų | 182 | 140.5 Ų | 140.5 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | 95.6 | 135.4 | 170.1 | -56.7 | -82.8 | 0 | 0 | 0 | 115.4 | ||||
| 170 | S | 41.4 | Very low | 43.8 | Very low | 97 Ų | 97 | 135.8 Ų | 135.8 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | cis | -172.9 | 132.9 | -14 | -177.6 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 171 | S | 46.8 | Very low | 43.4 | Very low | 98 Ų | 98 | 140.3 Ų | 140.3 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | trans | 40.7 | 97.4 | 150.6 | 59.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 172 | Q | 44 | Very low | 43 | Very low | 180 Ų | 180 | 139 Ų | 139 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | trans | -47.9 | 131.8 | 140 | -166.6 | 157.1 | 3.8 | 0 | 0 | 112.6 | ||||
| 173 | V | 46.1 | Very low | 42.5 | Very low | 144 Ų | 144 | 141 Ų | 141 | 87% | 0.873 | 79% | 0.785 | S | S | * | * | trans | -141.2 | 109.5 | 153.8 | -84.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 174 | V | 42.1 | Very low | 42.2 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | trans | -96 | 140.6 | 165.7 | 173.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 175 | S | 43.9 | Very low | 41.4 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -49.1 | 140.7 | -178.9 | -43.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 176 | R | 41 | Very low | 41.1 | Very low | 244 Ų | 244 | 145.1 Ų | 145.1 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | -139.2 | 105.9 | 145.8 | -66.7 | -170.7 | 92.5 | 179.2 | 5.1 | 109.6 | ||||
| 177 | S | 39.5 | Very low | 40.3 | Very low | 117 Ų | 117 | 149.1 Ų | 149.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -71.5 | 127.5 | 165 | -41.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 178 | S | 34.9 | Very low | 40.1 | Very low | 111 Ų | 111 | 144.5 Ų | 144.5 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -140 | 122.9 | 165 | -66.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 179 | S | 42.7 | Very low | 39.3 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -60.8 | 136 | 174.3 | 42.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 180 | A | 38.8 | Very low | 39.1 | Very low | 92 Ų | 92 | 142.4 Ų | 142.4 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | 145.5 | 119.7 | 142.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 181 | E | 36.8 | Very low | 38.8 | Very low | 190 Ų | 190 | 141.7 Ų | 141.7 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | -167.7 | 127.9 | 112 | -147.4 | 114 | -168.8 | 0 | 0 | 109.9 | |||||
| 182 | S | 35.1 | Very low | 38 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 76% | 0.762 | 82% | 0.819 | S | S | * | * | trans | -82 | 145.2 | -177.5 | 38 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 183 | I | 38.4 | Very low | 37.7 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | trans | -60.8 | 137.8 | 171.9 | -58.1 | 169.9 | 0 | 0 | 0 | 110.8 | ||||
| 184 | P | 42.4 | Very low | 37 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | trans | -88.5 | 112.4 | 163.9 | 31.3 | -25.2 | 0 | 0 | 0 | 110.8 | ||||
| 185 | Y | 32.2 | Very low | 36.7 | Very low | 178 Ų | 178 | 141 Ų | 141 | 70% | 0.698 | 83% | 0.827 | S | S | * | * | trans | -79.6 | 133.2 | 163.7 | -174.8 | -105.7 | 0 | 0 | 0 | 109.2 | E187 | Y185-E187 HydrophobicContact CD1-CB 4.17Å; Y185-E187 HydrophobicContact CE1-CB 3.61Å; Y185-E187 HydrophobicContact CE1-CG 3.91Å; Y185-E187 WeakPolarHBondContact CE1-OE2 3.34Å | ||
| 186 | R | 39 | Very low | 36.1 | Very low | 244 Ų | 244 | 140.2 Ų | 140.2 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | trans | -110.4 | 105.7 | 172.2 | -94.6 | -99 | -172.7 | 170.3 | -0.1 | 108.2 | ||||
| 187 | E | 31.5 | Very low | 35.7 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 70% | 0.701 | 83% | 0.83 | S | S | * | * | trans | -111.5 | 147.9 | 160.4 | -131.6 | 171.8 | 179 | 0 | 0 | 110.1 | Y185 | Y185-E187 HydrophobicContact CD1-CB 4.17Å; Y185-E187 HydrophobicContact CE1-CB 3.61Å; Y185-E187 HydrophobicContact CE1-CG 3.91Å; Y185-E187 WeakPolarHBondContact CE1-OE2 3.34Å | ||
| 188 | A | 37.8 | Very low | 35.7 | Very low | 103 Ų | 103 | 139.1 Ų | 139.1 | 85% | 0.851 | 84% | 0.838 | S | S | * | * | trans | -82.9 | 143.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 189 | G | 31.6 | Very low | 35.5 | Very low | 78 Ų | 78 | 137.7 Ų | 137.7 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | trans | -133.1 | 133.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 190 | F | 35.3 | Very low | 35.3 | Very low | 221 Ų | 221 | 139.8 Ų | 139.8 | 97% | 0.969 | 84% | 0.841 | S | S | * | * | trans | -79.8 | 145.1 | 179.6 | -97.3 | -96.7 | 0 | 0 | 0 | 112.9 | ||||
| 191 | G | 34.2 | Very low | 35.1 | Very low | 83 Ų | 83 | 144.8 Ų | 144.8 | 86% | 0.856 | 85% | 0.849 | S | S | * | * | trans | 102.4 | 116.1 | 139.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 192 | G | 32 | Very low | 34.8 | Very low | 78 Ų | 78 | 139.6 Ų | 139.6 | 80% | 0.804 | 85% | 0.846 | S | S | * | * | trans | 162.1 | 115.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 193 | L | 36.3 | Very low | 34.8 | Very low | 183 Ų | 183 | 145.8 Ų | 145.8 | 96% | 0.958 | 85% | 0.853 | S | S | * | * | trans | -56.1 | 152.8 | -176.8 | -80.4 | 70.7 | 0 | 0 | 0 | 116 | ||||
| 194 | G | 31.6 | Very low | 34.6 | Very low | 74 Ų | 74 | 149.6 Ų | 149.6 | 76% | 0.763 | 86% | 0.857 | S | S | * | * | trans | 148.3 | 97.5 | 147.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 195 | Q | 35.2 | Very low | 34.6 | Very low | 199 Ų | 199 | 149.8 Ų | 149.8 | 93% | 0.93 | 86% | 0.856 | S | S | * | * | trans | 32.6 | 121.3 | 144.7 | -67.3 | 179.1 | 6.3 | 0 | 0 | 122.1 | ||||
| 196 | G | 31.5 | Very low | 35 | Very low | 86 Ų | 86 | 147.7 Ų | 147.7 | 89% | 0.887 | 86% | 0.864 | S | S | * | * | 73.6 | 113.1 | 115.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 197 | G | 32.2 | Very low | 34.7 | Very low | 80 Ų | 80 | 146 Ų | 146 | 83% | 0.825 | 86% | 0.858 | S | S | * | * | trans | 172.1 | 107.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 198 | R | 39.7 | Very low | 34.8 | Very low | 259 Ų | 259 | 147 Ų | 147 | 98% | 0.977 | 87% | 0.868 | S | S | * | * | trans | -64.8 | 141.5 | 168.9 | -65.6 | 174.9 | -174.6 | -100.7 | 1.6 | 109.9 | ||||
| 199 | G | 31.9 | Very low | 34.6 | Very low | 80 Ų | 80 | 145.1 Ų | 145.1 | 83% | 0.825 | 85% | 0.848 | S | S | * | * | trans | -167.1 | 118.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 200 | L | 38.5 | Very low | 34.7 | Very low | 165 Ų | 165 | 151.1 Ų | 151.1 | 86% | 0.864 | 85% | 0.848 | S | S | * | * | trans | -83.7 | 163.7 | -177.3 | -79.5 | 156.1 | 0 | 0 | 0 | 112.5 | ||||
| 201 | Q | 34.5 | Very low | 34.8 | Very low | 198 Ų | 198 | 147.1 Ų | 147.1 | 93% | 0.925 | 84% | 0.837 | S | S | * | * | trans | 82.8 | 132.9 | 157.4 | -72.8 | 168.4 | 22.7 | 0 | 0 | 119.2 | ||||
| 202 | G | 30.3 | Very low | 34.7 | Very low | 80 Ų | 80 | 152 Ų | 152 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | trans | 158.1 | 61.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 203 | R | 35.8 | Very low | 35 | Very low | 239 Ų | 239 | 153.9 Ų | 153.9 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | trans | -48.2 | 134.2 | 170 | -176.2 | -177.2 | -165.7 | -124.9 | 5.3 | 113.3 | ||||
| 204 | R | 34.1 | Very low | 35.5 | Very low | 239 Ų | 239 | 151.3 Ų | 151.3 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | trans | 177.8 | 112.3 | 132 | -96.6 | 170.2 | -154.3 | -115.4 | 7.4 | 111.5 | ||||
| 205 | T | 42.5 | Very low | 35.7 | Very low | 129 Ų | 129 | 152.5 Ų | 152.5 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | trans | -95.9 | 152.2 | 153.9 | 47 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 206 | P | 38.6 | Very low | 36.3 | Very low | 134 Ų | 134 | 149 Ų | 149 | 87% | 0.87 | 82% | 0.819 | S | S | * | * | trans | -94.1 | 134.6 | 150.2 | -12.2 | 30.2 | 0 | 0 | 0 | 110.2 | ||||
| 207 | R | 34.2 | Very low | 36.4 | Very low | 209 Ų | 209 | 149.3 Ų | 149.3 | 79% | 0.789 | 81% | 0.813 | S | S | * | * | trans | -106.7 | 132.8 | 177.2 | 177.7 | -172.5 | -163.3 | -134.2 | 3.4 | 106.9 | ||||
| 208 | D | 32.8 | Very low | 36.4 | Very low | 169 Ų | 169 | 150.3 Ų | 150.3 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | trans | -125.6 | 131.6 | 150.1 | -82.6 | -41.4 | 0 | 0 | 0 | 108.8 | ||||
| 209 | S | 33.1 | Very low | 36.1 | Very low | 64 Ų | 64 | 143.3 Ų | 143.3 | 45% | 0.448 | 79% | 0.794 | S | S | . | * | trans | -89.6 | 150.6 | 177.7 | -49.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 210 | Y | 35.5 | Very low | 36.2 | Very low | 204 Ų | 204 | 147.4 Ų | 147.4 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | -178.7 | 143.4 | 79.1 | 50.1 | -103.2 | 0 | 0 | 0 | 106.1 | |||||
| 211 | N | 36.6 | Very low | 36 | Very low | 137 Ų | 137 | 143.5 Ų | 143.5 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | -166.6 | 141.5 | 61.4 | -94.8 | -18.4 | 0 | 0 | 0 | 111.3 | |||||
| 212 | E | 33 | Very low | 35.9 | Very low | 186 Ų | 186 | 141.8 Ų | 141.8 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | 35.1 | 123 | 145.5 | -60.1 | -165.4 | 142.9 | 0 | 0 | 123.9 | ||||
| 213 | T | 37 | Very low | 36.2 | Very low | 117 Ų | 117 | 143.6 Ų | 143.6 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | trans | -91.1 | 164.5 | 156.8 | -33.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 214 | P | 46.5 | Very low | 36.1 | Very low | 129 Ų | 129 | 142.9 Ų | 142.9 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | -135.4 | 140.2 | 109.5 | 34.9 | -23.6 | 0 | 0 | 0 | 114 | |||||
| 215 | S | 36 | Very low | 36.2 | Very low | 100 Ų | 100 | 141.8 Ų | 141.8 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | trans | -86.8 | 173.1 | 168.6 | -55 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 216 | P | 48.8 | Very low | 35.8 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | -131.6 | 137.5 | 126.6 | 29.2 | -14.2 | 0 | 0 | 0 | 114.5 | |||||
| 217 | A | 32.9 | Very low | 35.5 | Very low | 93 Ų | 93 | 140.3 Ų | 140.3 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | 34 | 118 | 145.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 218 | S | 32.9 | Very low | 35.6 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | 84.7 | 124.9 | 103.5 | -173.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 219 | T | 32.8 | Very low | 35.6 | Very low | 111 Ų | 111 | 133 Ų | 133 | 68% | 0.681 | 76% | 0.764 | S | S | * | * | -175.2 | 155.9 | 56.1 | -26.2 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 220 | H | 33.7 | Very low | 35.7 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | 73.6 | 94.1 | 152.9 | -89.9 | -69.4 | 0 | 0 | 0 | 122 | ||||
| 221 | S | 34.3 | Very low | 35.7 | Very low | 83 Ų | 83 | 131.4 Ų | 131.4 | 58% | 0.58 | 78% | 0.782 | S | S | * | * | 28.2 | 125 | 120.7 | 67.9 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 222 | L | 33.4 | Very low | 35.5 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | 162 | 116.8 | 105.9 | -83.8 | 171.1 | 0 | 0 | 0 | 109.8 | |||||
| 223 | S | 35.8 | Very low | 35.8 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -78.6 | 128.2 | 170 | 28.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 224 | Y | 34.1 | Very low | 35.6 | Very low | 225 Ų | 225 | 126.6 Ų | 126.6 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | trans | -126.1 | 129.8 | 160.2 | -116.5 | -89.5 | 0 | 0 | 0 | 111.7 | ||||
| 225 | R | 35.3 | Very low | 35.1 | Very low | 216 Ų | 216 | 127.3 Ų | 127.3 | 82% | 0.815 | 78% | 0.782 | S | S | * | * | trans | -81 | 135.1 | 176.4 | -179.6 | -175 | -169.1 | 171.9 | 2.4 | 108.8 | S227 | R225-S227 PolarHBondContact O-N 3.05Š| ||
| 226 | P | 35.1 | Very low | 34.8 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | -82.4 | 113.6 | 168.6 | -3.3 | 20.7 | 0 | 0 | 0 | 109.4 | ||||
| 227 | S | 32.1 | Very low | 33.9 | Very low | 107 Ų | 107 | 131 Ų | 131 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -79.9 | 135.7 | 163.1 | -70.2 | 0 | 0 | 0 | 0 | 109.8 | R225 | R225-S227 PolarHBondContact O-N 3.05Š| ||
| 228 | S | 35.2 | Very low | 33.8 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | -65.9 | 130.8 | 171.3 | -45.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 229 | A | 32.8 | Very low | 33.8 | Very low | 97 Ų | 97 | 141.2 Ų | 141.2 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -117.1 | 116.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 230 | S | 35.7 | Very low | 33.8 | Very low | 117 Ų | 117 | 142 Ų | 142 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -65.4 | 134.4 | 168.2 | 159.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 231 | S | 36.5 | Very low | 33.8 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -133.4 | 109.8 | 158.7 | -76.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 232 | G | 32.6 | Very low | 34.5 | Very low | 73 Ų | 73 | 139 Ų | 139 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -65 | 135.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 233 | Q | 39.2 | Very low | 34.4 | Very low | 193 Ų | 193 | 139.5 Ų | 139.5 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -85 | 113.2 | 168.5 | -72.1 | -167.2 | -23.9 | 0 | 0 | 109.1 | ||||
| 234 | G | 32.4 | Very low | 34.1 | Very low | 74 Ų | 74 | 137.1 Ų | 137.1 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | -72.8 | 136.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 235 | I | 34.9 | Very low | 33.9 | Very low | 144 Ų | 144 | 136 Ų | 136 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | trans | -74.2 | 136.7 | -177.8 | -63.5 | 158.9 | 0 | 0 | 0 | 110 | ||||
| 236 | F | 29.4 | Very low | 33.7 | Very low | 201 Ų | 201 | 130.9 Ų | 130.9 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | trans | -124.8 | 118.1 | 149.5 | -84.4 | -76 | 0 | 0 | 0 | 109.3 | ||||
| 237 | S | 30.6 | Very low | 33.4 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -78.6 | 133 | 176.6 | -53.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 238 | F | 30.1 | Very low | 33.5 | Very low | 204 Ų | 204 | 131.1 Ų | 131.1 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | trans | -117.8 | 117.4 | 153.2 | -82.8 | -81.4 | 0 | 0 | 0 | 108.8 | ||||
| 239 | R | 34.8 | Very low | 33.3 | Very low | 205 Ų | 205 | 130.8 Ų | 130.8 | 77% | 0.774 | 78% | 0.781 | S | S | * | * | trans | -93.7 | 142.6 | 166 | -164.5 | -174.1 | -162.9 | -156 | 5.9 | 107.6 | S241 | R239-S241 PolarHBondContact NE-OG 3.02Å; R239-S241 PolarHBondContact NH1-OG 3.42Å; R239-S241 PolarHBondContact NH2-OG 2.96Å | ||
| 240 | P | 31.6 | Very low | 33.3 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | -122.1 | 144.4 | 127 | 1.2 | 19.4 | 0 | 0 | 0 | 111.6 | |||||
| 241 | S | 33.4 | Very low | 33 | Very low | 74 Ų | 74 | 137.3 Ų | 137.3 | 52% | 0.517 | 78% | 0.779 | S | S | . | * | trans | -87 | 175.2 | 179.4 | -117.6 | 0 | 0 | 0 | 0 | 111.8 | R239 | R239-S241 PolarHBondContact NE-OG 3.02Å; R239-S241 PolarHBondContact NH1-OG 3.42Å; R239-S241 PolarHBondContact NH2-OG 2.96Å | ||
| 242 | P | 48.6 | Very low | 32.7 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | trans | -105.4 | 164.1 | -141.9 | 40.8 | -37.5 | 0 | 0 | 0 | 115.6 | ||||
| 243 | N | 31.8 | Very low | 32.8 | Very low | 175 Ų | 175 | 140.6 Ų | 140.6 | 94% | 0.936 | 77% | 0.774 | S | S | * | * | trans | -163.9 | 134.4 | 148.4 | -96.6 | -9.3 | 0 | 0 | 0 | 105.1 | ||||
| 244 | G | 29.4 | Very low | 32.5 | Very low | 66 Ų | 66 | 137.4 Ų | 137.4 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | cis | 147.8 | 111.9 | 8.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 245 | H | 30.1 | Very low | 32.3 | Very low | 203 Ų | 203 | 140.4 Ų | 140.4 | 94% | 0.94 | 77% | 0.768 | S | S | * | * | trans | 60.6 | 147.3 | 166.6 | -66.5 | -39.8 | 0 | 0 | 0 | 118.8 | ||||
| 246 | S | 31.7 | Very low | 32.1 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | cis | -164.7 | 139.9 | 20.9 | 138.7 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 247 | G | 29 | Very low | 32 | Very low | 62 Ų | 62 | 139.3 Ų | 139.3 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | 130.8 | 146 | 56.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 248 | H | 32.8 | Very low | 32 | Very low | 175 Ų | 175 | 139 Ų | 139 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | trans | 80.6 | 92.8 | 156.1 | -53.7 | -67 | 0 | 0 | 0 | 122.2 | ||||
| 249 | T | 32.7 | Very low | 31.8 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | 21.1 | 125.9 | 117.5 | -33.2 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 250 | R | 31.9 | Very low | 31.7 | Very low | 237 Ų | 237 | 139.3 Ų | 139.3 | 89% | 0.894 | 77% | 0.772 | S | S | * | * | trans | -155.2 | 107.6 | 135.6 | -107.6 | 175.1 | -159.7 | -159.9 | 5.3 | 111.6 | ||||
| 251 | V | 30.6 | Very low | 31.5 | Very low | 114 Ų | 114 | 141.7 Ų | 141.7 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | trans | -72 | 133.5 | 158.8 | 170.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 252 | L | 30.2 | Very low | 31.4 | Very low | 156 Ų | 156 | 143.3 Ų | 143.3 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | trans | -133.8 | 106.6 | 160.6 | -73.1 | 177.9 | 0 | 0 | 0 | 109.3 | ||||
| 253 | T | 34 | Very low | 30.5 | Very low | 104 Ų | 104 | 149.6 Ų | 149.6 | 64% | 0.638 | 79% | 0.793 | S | S | * | * | trans | -72.5 | 157.2 | 152.3 | -25.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 254 | P | 32.5 | Very low | 30.8 | Very low | 125 Ų | 125 | 147.1 Ų | 147.1 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | -138 | 134.5 | 116.9 | 25.9 | -8.5 | 0 | 0 | 0 | 113.2 | |||||
| 255 | N | 27.4 | Very low | 30.8 | Very low | 138 Ų | 138 | 150.6 Ų | 150.6 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | -84.6 | 141.6 | 153.1 | -88.7 | -26.6 | 0 | 0 | 0 | 108.3 | ||||
| 256 | N | 31 | Very low | 31.4 | Very low | 140 Ų | 140 | 149.3 Ų | 149.3 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | -176.1 | 133.8 | 120.4 | -93.2 | -35.5 | 0 | 0 | 0 | 114.1 | |||||
| 257 | F | 27.5 | Very low | 31.3 | Very low | 182 Ų | 182 | 152.9 Ų | 152.9 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | trans | 47.2 | 105 | 146.3 | -73.8 | -90.2 | 0 | 0 | 0 | 122.1 | ||||
| 258 | A | 30 | Very low | 31.6 | Very low | 94 Ų | 94 | 155.2 Ų | 155.2 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | 30.2 | 110.8 | 115.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 259 | Q | 27 | Very low | 31.5 | Very low | 190 Ų | 190 | 155 Ų | 155 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -141.1 | 124.9 | 138.6 | -161.9 | 164.7 | -15.3 | 0 | 0 | 109.6 | ||||
| 260 | R | 33.1 | Very low | 31.7 | Very low | 226 Ų | 226 | 154.6 Ų | 154.6 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -83.2 | 131.4 | 177.8 | 169.5 | -166.1 | -103.4 | -130.5 | -0.2 | 108.1 | ||||
| 261 | E | 27.5 | Very low | 31.7 | Very low | 177 Ų | 177 | 148.2 Ų | 148.2 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -175.7 | 107.9 | 140.5 | -104.3 | 165.7 | -170.5 | 0 | 0 | 113.2 | ||||
| 262 | S | 31.3 | Very low | 31.9 | Very low | 109 Ų | 109 | 152.8 Ų | 152.8 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | 23.5 | 110.3 | 133.7 | -36.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 263 | R | 29.2 | Very low | 32.6 | Very low | 241 Ų | 241 | 152.7 Ų | 152.7 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | -177.9 | 138.2 | 120.3 | -111.2 | 171.2 | 163 | 166.9 | -5.7 | 113 | |||||
| 264 | T | 37.9 | Very low | 32.9 | Very low | 124 Ų | 124 | 154.3 Ų | 154.3 | 76% | 0.761 | 81% | 0.808 | S | S | * | * | trans | -34.8 | 129.1 | 166.2 | 45.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 265 | T | 29.2 | Very low | 33.6 | Very low | 139 Ų | 139 | 153.2 Ų | 153.2 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -161.8 | 134.1 | 136.3 | -6.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 266 | L | 42.5 | Very low | 34.5 | Very low | 175 Ų | 175 | 151.7 Ų | 151.7 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | trans | -73 | 112.3 | 174.8 | -177.6 | 95.8 | 0 | 0 | 0 | 108.5 | ||||
| 267 | E | 31 | Very low | 35.3 | Very low | 183 Ų | 183 | 151.1 Ų | 151.1 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | -132.7 | 141.6 | 167.6 | -79.5 | -157.7 | 149.6 | 0 | 0 | 112.7 | ||||
| 268 | S | 34.8 | Very low | 36.3 | Very low | 110 Ų | 110 | 148.2 Ų | 148.2 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 138.2 | -173.5 | 49.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 269 | L | 30.7 | Very low | 37.3 | Very low | 170 Ų | 170 | 148.1 Ų | 148.1 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 135.3 | 163.8 | -74.1 | 161.2 | 0 | 0 | 0 | 110.6 | ||
| 270 | P | 36.2 | Very low | 38.2 | Very low | 112 Ų | 112 | 143.9 Ų | 143.9 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 131.8 | -179.6 | 29.2 | -31.5 | 0 | 0 | 0 | 111.6 | F272 | P270-F272 PolarHBondContact O-N 3.21Š|
| 271 | S | 32.1 | Very low | 39.1 | Very low | 104 Ų | 104 | 141.4 Ų | 141.4 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 120.9 | 170.8 | 10.4 | 0 | 0 | 0 | 0 | 110.6 | Q273 | S271-Q273 VanDerWaalsContact C-N 3.34Å; S271-Q273 PolarHBondContact O-N 3.48Å |
| 272 | F | 35.6 | Very low | 40.3 | Very low | 209 Ų | 209 | 138.2 Ų | 138.2 | 92% | 0.917 | 73% | 0.732 | S | S | * | * | trans | -66.6 | 91.7 | 164.4 | -86.5 | -93.2 | 0 | 0 | 0 | 109.3 | P270 | P270-F272 PolarHBondContact O-N 3.21Š| ||
| 273 | Q | 45.1 | Very low | 41.1 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 72% | 0.724 | 72% | 0.724 | S | S | * | * | trans | -82.2 | 115.9 | 166.6 | -81.4 | -171.3 | -36.5 | 0 | 0 | 109.4 | S271 P275 | S271-Q273 VanDerWaalsContact C-N 3.34Å; S271-Q273 PolarHBondContact O-N 3.48Å; Q273-P275 WeakPolarHBondContact O-CD 3.15Å | ||
| 274 | L | 39.3 | Very low | 42.1 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 72% | 0.717 | 72% | 0.716 | S | S | * | * | trans | -78.3 | 114.7 | 169.6 | -79.2 | 161.8 | 0 | 0 | 0 | 109.3 | V276 | L274-V276 PolarHBondContact O-N 3.4Š| ||
| 275 | P | 47.8 | Very low | 42.9 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 67% | 0.669 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -10.4 | -172 | -22.5 | 34 | 0 | 0 | 0 | 115.7 | Q273 T279 | Q273-P275 WeakPolarHBondContact O-CD 3.15Å; P275-T279 PolarHBondContact O-OG1 3.1Å |
| 276 | V | 45.5 | Very low | 43.8 | Very low | 105 Ų | 105 | 139.9 Ų | 139.9 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -85.6 | -24.7 | -168.8 | -178.6 | 0 | 0 | 0 | 0 | 113.1 | L274 T279 | L274-V276 PolarHBondContact O-N 3.4Å; V276-T279 PolarHBondContact O-OG1 3.06Å |
| 277 | L | 47.2 | Very low | 43.9 | Very low | 128 Ų | 128 | 139.9 Ų | 139.9 | 67% | 0.67 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -76.9 | -27.8 | -179.7 | -105.3 | 152.4 | 0 | 0 | 0 | 112.8 | Y281 | L277-Y281 PolarHBondContact O-N 2.97Å |
| 278 | Q | 50.1 | Low | 44.6 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 57% | 0.57 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -73.8 | -34.8 | -176.9 | -163.4 | 140 | -2 | 0 | 0 | 112 | Y281 Q282 | Q278-Y281 PolarHBondContact O-N 3.31Å; Q278-Q282 WeakPolarHBondContact O-CB 3.43Å; Q278-Q282 PolarHBondContact O-N 3.46Å; Q278-Q282 VanDerWaalsContact O-N 3.14Å |
| 279 | T | 50.3 | Low | 44.8 | Very low | 92 Ų | 92 | 135.8 Ų | 135.8 | 56% | 0.564 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -67.6 | -41.1 | -179.7 | -3.4 | 0 | 0 | 0 | 0 | 111.9 | P275 V276 Q282 Q283 | P275-T279 PolarHBondContact O-OG1 3.1Å; V276-T279 PolarHBondContact O-OG1 3.06Å; T279-Q282 PolarHBondContact O-N 3.44Å; T279-Q283 WeakPolarHBondContact O-CB 3.41Å; T279-Q283 PolarHBondContact O-N 3.34Å |
| 280 | L | 46.8 | Very low | 45.3 | Very low | 100 Ų | 100 | 133.9 Ų | 133.9 | 52% | 0.524 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -69.8 | -38.2 | 178.7 | -69 | 173.2 | 0 | 0 | 0 | 112.4 | Q282 Q284 | L280-Q282 VanDerWaalsContact C-N 3.29Å; L280-Q282 PolarHBondContact O-N 2.87Å; L280-Q284 PolarHBondContact O-N 3.37Å |
| 281 | Y | 51.5 | Low | 45.6 | Very low | 174 Ų | 174 | 133.5 Ų | 133.5 | 68% | 0.682 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -69.2 | -29.4 | 178.2 | -140.6 | -92.1 | 0 | 0 | 0 | 112.5 | L277 Q278 | L277-Y281 PolarHBondContact O-N 2.97Å; Q278-Y281 PolarHBondContact O-N 3.31Å |
| 282 | Q | 52.6 | Low | 45.6 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 52% | 0.519 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -82.1 | -33.7 | 179.7 | -152.9 | 156.9 | 3.4 | 0 | 0 | 112 | Q278 T279 L280 R285 | Q278-Q282 WeakPolarHBondContact O-CB 3.43Å; Q278-Q282 PolarHBondContact O-N 3.46Å; Q278-Q282 VanDerWaalsContact O-N 3.14Å; T279-Q282 PolarHBondContact O-N 3.44Å; L280-Q282 VanDerWaalsContact C-N 3.29Å; L280-Q282 PolarHBondContact O-N 2.87Å; Q282-R285 PolarHBondContact O-N 3.19Å |
| 283 | Q | 47.9 | Very low | 45.8 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 60% | 0.603 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -70 | -33.2 | 174.8 | -159.4 | 169.8 | 28.6 | 0 | 0 | 112.3 | T279 R285 Q286 | T279-Q283 WeakPolarHBondContact O-CB 3.41Å; T279-Q283 PolarHBondContact O-N 3.34Å; Q283-R285 VanDerWaalsContact C-N 3.3Å; Q283-R285 PolarHBondContact O-N 3.32Å; Q283-Q286 PolarHBondContact O-N 3.33Å |
| 284 | Q | 49.9 | Very low | 45.3 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 74% | 0.738 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -69.6 | -24.4 | 176.4 | -166.4 | 162.9 | -1.2 | 0 | 0 | 113.4 | L280 | L280-Q284 PolarHBondContact O-N 3.37Å |
| 285 | R | 54.1 | Low | 45.1 | Very low | 198 Ų | 198 | 132.5 Ų | 132.5 | 75% | 0.747 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -77.3 | -20.2 | 173.6 | -91.7 | -157.5 | -78.9 | -166.8 | -4.2 | 114.3 | Q282 Q283 | Q282-R285 PolarHBondContact O-N 3.19Å; Q283-R285 VanDerWaalsContact C-N 3.3Å; Q283-R285 PolarHBondContact O-N 3.32Å |
| 286 | Q | 48.5 | Very low | 44.4 | Very low | 162 Ų | 162 | 139.2 Ų | 139.2 | 76% | 0.757 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -84.2 | -13.9 | -177.9 | -71.2 | -177.1 | -1.2 | 0 | 0 | 113.6 | Q283 | Q283-Q286 PolarHBondContact O-N 3.33Å |
| 287 | M | 45.9 | Very low | 44.1 | Very low | 175 Ų | 175 | 140.8 Ų | 140.8 | 86% | 0.862 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 16 | -175.1 | -63.8 | -134.2 | -67.5 | 0 | 0 | 115.1 | ||
| 288 | G | 43.8 | Very low | 43.7 | Very low | 53 Ų | 53 | 141.3 Ų | 141.3 | 55% | 0.546 | 73% | 0.732 | S | S | . | * | trans | -133.4 | 82.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 289 | L | 39.2 | Very low | 43.1 | Very low | 155 Ų | 155 | 140.8 Ų | 140.8 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | trans | -166.2 | 125.1 | 156.1 | -104.4 | 140.2 | 0 | 0 | 0 | 110.5 | ||||
| 290 | P | 41.5 | Very low | 42.8 | Very low | 129 Ų | 129 | 151.1 Ų | 151.1 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | -107.5 | 118.7 | 133.4 | 28.7 | -19.3 | 0 | 0 | 0 | 108.3 | G292 | P290-G292 PolarHBondContact O-N 3.1Š| ||
| 291 | S | 43.3 | Very low | 42.6 | Very low | 104 Ų | 104 | 153.7 Ų | 153.7 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -76.3 | 101.8 | 171.7 | 168.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 292 | G | 31.7 | Very low | 42.1 | Very low | 75 Ų | 75 | 152.6 Ų | 152.6 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -113.6 | 103.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | P290 | P290-G292 PolarHBondContact O-N 3.1Š| ||
| 293 | R | 40.8 | Very low | 41.5 | Very low | 240 Ų | 240 | 154.9 Ų | 154.9 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -88 | 112.9 | 164.5 | -80.8 | -175.5 | -174.9 | -154.3 | 0.8 | 107.5 | ||||
| 294 | E | 33.8 | Very low | 41.2 | Very low | 178 Ų | 178 | 156.5 Ų | 156.5 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | -111.4 | 109.4 | 159.6 | -70.5 | -168 | 166.9 | 0 | 0 | 108.5 | ||||
| 295 | A | 34.7 | Very low | 40.6 | Very low | 92 Ų | 92 | 156.4 Ų | 156.4 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | trans | -80.7 | 124 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | T297 | A295-T297 PolarHBondContact O-N 3.34Š| ||
| 296 | W | 33.1 | Very low | 39.7 | Very low | 244 Ų | 244 | 153.6 Ų | 153.6 | 92% | 0.924 | 83% | 0.825 | S | S | * | * | trans | -80.7 | 106.9 | 171.7 | -74.1 | 65.4 | 0 | 0 | 0 | 109.2 | ||||
| 297 | T | 39.7 | Very low | 39.1 | Very low | 138 Ų | 138 | 153 Ų | 153 | 85% | 0.847 | 83% | 0.83 | S | S | * | * | trans | -90.2 | 115.5 | 163.9 | 46.8 | 0 | 0 | 0 | 0 | 109.1 | A295 | A295-T297 PolarHBondContact O-N 3.34Š| ||
| 298 | T | 38.8 | Very low | 38.6 | Very low | 138 Ų | 138 | 151.3 Ų | 151.3 | 85% | 0.847 | 83% | 0.828 | S | S | * | * | trans | -86.6 | 125.4 | 168.3 | -43.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 299 | S | 37.9 | Very low | 38.1 | Very low | 112 Ų | 112 | 159.5 Ų | 159.5 | 78% | 0.783 | 85% | 0.851 | S | S | * | * | trans | -104.4 | 136.5 | 165.7 | -161.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 300 | R | 43.2 | Very low | 38 | Very low | 309 Ų | 309 | 159.9 Ų | 159.9 | 100% | 1.166 | 86% | 0.855 | S | S | * | * | trans | -69.9 | 0 | 152.8 | -82.3 | -176.2 | 179.5 | -156.9 | -0.3 | 110 |
Retrieved 300 of 300 residues in 142.2 ms
(Link to these results)