A0A096N0X4_PAPAN Loading...

2-amino-3-carboxymuconate-6-semialdehyde decarboxylase

Converts alpha-amino-beta-carboxymuconate-epsilon-semialdehyde (ACMS) to alpha-aminomuconate semialdehyde (AMS). ACMS can be converted non-enzymatically to quinolate (QA), a key precursor of NAD, and a potent endogenous excitotoxin of neuronal cells which is implicated in the pathogenesis of various neurodegenerative disorders. In the presence of ACMSD, ACMS is converted to AMS, a benign catabolite. ACMSD ultimately controls the metabolic fate of tryptophan catabolism along the kynurenine pathway.

AlphaFold DB , UniProt , Accession A0A096N0X4, Species PAPAN (Papio anubis, Olive baboon), Gene ACMSD, Length 336 aa.

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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
1M91.5Very high98Very high62 Ų628.9 Ų8.931%0.3054%0.044SC..  0132.40-171.9-173.7-168.400108.8I3 T69 V70 A321 L325 R332 F335M1-I3 HydrophobicContact CE-CD1 3.56Å; M1-I3 HydrophobicContact CE-CG1 3.7Å; M1-I3 HydrophobicContact CG-CG1 4.46Å; M1-I3 HydrophobicContact SD-CD1 4.32Å; M1-I3 HydrophobicContact SD-CG1 4.41Å; M1-T69 VanDerWaalsContact CA-OG1 3.28Å; M1-T69 WeakPolarHBondContact CA-OG1 2.92Å; M1-T69 HydrophobicContact CE-CG2 4.46Å; M1-T69 HydrophobicContact CG-CG2 4.07Å; M1-V70 HydrophobicContact CE-CG2 4.1Å; M1-A321 HydrophobicContact CB-CB 4.39Å; M1-A321 HydrophobicContact CG-CB 4.22Å; M1-A321 HydrophobicContact SD-CB 4.21Å; M1-L325 HydrophobicContact SD-CD1 4.42Å; M1-R332 HydrophobicContact SD-CG 3.84Å; M1-F335 HydrophobicContact CE-CB 3.76Å; M1-F335 HydrophobicContact CE-CD2 3.46Å; M1-F335 VanDerWaalsContact CE-CD2 3.46Å; M1-F335 HydrophobicContact CE-CE2 4.33Å; M1-F335 HydrophobicContact CE-CG 3.9Å
2K97.1Very high98Very high22 Ų2217.7 Ų17.710%0.0968%0.081CC..  trans-126.7130.6170-76.2-179.5-178.9-179.40108.5T69 V70 L288 P301 E306 K320K2-T69 PolarHBondContact N-OG1 2.63Å; K2-T69 WeakPolarHBondContact O-CA 3.36Å; K2-T69 VanDerWaalsContact O-CB 3.23Å; K2-T69 WeakPolarHBondContact O-CB 3.31Å; K2-T69 PolarHBondContact O-N 3.37Å; K2-T69 PolarHBondContact O-OG1 2.79Å; K2-V70 PolarHBondContact O-N 3.45Å; K2-L288 HydrophobicContact CB-CD2 4.28Å; K2-L288 HydrophobicContact CG-CD2 4.42Å; K2-P301 PolarHBondContact NZ-O 2.78Å; K2-E306 VanDerWaalsContact CE-CD 3.48Å; K2-E306 WeakPolarHBondContact CE-OE1 3.34Å; K2-E306 IonicContact NZ-OE1 3.54Å; K2-E306 PolarHBondContact NZ-OE1 3.25Å; K2-E306 IonicContact NZ-OE2 2.89Å; K2-E306 PolarHBondContact NZ-OE2 2.88Å; K2-K320 CarbonylContact C-O 3.56Å; K2-K320 WeakPolarHBondContact CA-O 3.48Å; K2-K320 HydrophobicContact CD-CD 4.4Å; K2-K320 HydrophobicContact CG-CB 4.3Å; K2-K320 HydrophobicContact CG-CD 3.95Å; K2-K320 HydrophobicContact CG-CG 4.36Å
3I98.8Very high98Very high1 Ų127.5 Ų27.51%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-116.2121.9173.5-56.7-179.8000107.2M1 V70 K320 A321 A324 L325M1-I3 HydrophobicContact CE-CD1 3.56Å; M1-I3 HydrophobicContact CE-CG1 3.7Å; M1-I3 HydrophobicContact CG-CG1 4.46Å; M1-I3 HydrophobicContact SD-CD1 4.32Å; M1-I3 HydrophobicContact SD-CG1 4.41Å; I3-V70 WeakPolarHBondContact CA-O 3.49Å; I3-V70 HydrophobicContact CG1-CB 4.25Å; I3-V70 HydrophobicContact CG2-CB 4.32Å; I3-K320 PolarHBondContact N-O 2.83Å; I3-A321 HydrophobicContact CD1-CB 4.31Å; I3-A321 HydrophobicContact CG1-CB 4.14Å; I3-A324 HydrophobicContact CB-CB 3.85Å; I3-A324 HydrophobicContact CD1-CB 4.13Å; I3-A324 HydrophobicContact CG2-CB 3.68Å; I3-L325 HydrophobicContact CD1-CD1 4.39Å; I3-L325 HydrophobicContact CD1-CD2 3.54Å; I3-L325 HydrophobicContact CD1-CG 3.6Å
4D98.9Very high98Very high0 Ų027.4 Ų27.40%013%0.125CC..EExtended strand (participates in β ladder)trans-96.2108.9174.5175.79.7000109H6 V68 V70 Q71 A72 G289 T290D4-H6 VanDerWaalsContact C-N 3.31Å; D4-H6 PolarHBondContact OD1-N 2.68Å; D4-H6 VanDerWaalsContact OD1-N 3.13Å; D4-V68 HydrophobicContact CB-CG1 4.09Å; D4-V70 PolarHBondContact N-O 3.27Å; D4-Q71 HydrophobicContact CB-CG 4.08Å; D4-A72 PolarHBondContact O-N 3.46Å; D4-G289 WeakPolarHBondContact OD1-CA 3.42Å; D4-T290 HydrophobicContact CB-CG2 4.32Å; D4-T290 VanDerWaalsContact CG-CG2 3.49Å; D4-T290 VanDerWaalsContact CG-OG1 3.22Å; D4-T290 PolarHBondContact OD1-N 3.32Å; D4-T290 PolarHBondContact OD1-OG1 3.46Å; D4-T290 WeakPolarHBondContact OD2-CG2 3.26Å; D4-T290 PolarHBondContact OD2-OG1 2.92Å
5I98.9Very high98Very high1 Ų129.6 Ų29.61%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-79.8-15.1-176.5-159.257.9000113.2A72 D265 I287 L288 F327 L328I5-A72 HydrophobicContact CD1-CB 3.88Å; I5-D265 HydrophobicContact CG2-CB 4.11Å; I5-I287 HydrophobicContact CB-CG2 3.79Å; I5-I287 HydrophobicContact CG1-CG2 4.34Å; I5-I287 HydrophobicContact CG2-CB 4.17Å; I5-I287 HydrophobicContact CG2-CG2 3.77Å; I5-L288 VanDerWaalsContact CG2-O 3.3Å; I5-L288 WeakPolarHBondContact CG2-O 3.15Å; I5-L288 PolarHBondContact N-O 2.9Å; I5-F327 HydrophobicContact CD1-CD1 3.94Å; I5-F327 HydrophobicContact CD1-CE1 4.04Å; I5-F327 HydrophobicContact CG1-CD1 4.23Å; I5-F327 HydrophobicContact CG1-CE1 4.18Å; I5-L328 HydrophobicContact CD1-CD1 3.72Å; I5-L328 HydrophobicContact CD1-CD2 3.87Å; I5-L328 HydrophobicContact CD1-CG 3.89Å
6H98.9Very high98Very high0 Ų031.8 Ų31.80%016%0.156CC..EExtended strand (participates in β ladder)trans-127.886.3-168.4-173.1176000109.1D4 H8 F172 H174 H224 D265 T290 D291D4-H6 VanDerWaalsContact C-N 3.31Å; D4-H6 PolarHBondContact OD1-N 2.68Å; D4-H6 VanDerWaalsContact OD1-N 3.13Å; H6-H8 AromaticContact CD2-CE1 3.98Å; H6-H8 AromaticContact CD2-NE2 3.59Å; H6-H8 AromaticContact NE2-CE1 3.86Å; H6-H8 AromaticContact NE2-NE2 3.26Å; H6-H8 PolarHBondContact NE2-NE2 3.15Å; H6-F172 HydrophobicContact CB-CE1 4.46Å; H6-F172 HydrophobicContact CB-CZ 3.91Å; H6-F172 AromaticContact CD2-CE1 3.88Å; H6-F172 AromaticContact CD2-CZ 3.91Å; H6-F172 AromaticContact CG-CZ 3.58Å; H6-F172 AromaticContact ND1-CZ 3.71Å; H6-H174 AromaticContact CE1-CD2 3.75Å; H6-H174 AromaticContact CE1-NE2 3.66Å; H6-H174 AromaticContact NE2-CD2 3.2Å; H6-H174 PolarHBondContact NE2-CD2 3.49Å; H6-H174 AromaticContact NE2-NE2 3.18Å; H6-H174 PolarHBondContact NE2-NE2 3.43Å; H6-H174 VanDerWaalsContact NE2-NE2 3.18Å; H6-H224 AromaticContact CE1-CE1 3.89Å; H6-H224 AromaticContact CE1-NE2 3.49Å; H6-H224 PolarHBondContact CE1-NE2 3.02Å; H6-D265 IonicContact CE1-OD2 3.69Å; H6-D265 IonicContact CG-OD2 3.79Å; H6-D265 IonicContact ND1-OD2 3.75Å; H6-D265 PolarHBondContact ND1-OD2 3.2Å; H6-T290 PolarHBondContact O-N 3.03Å; H6-T290 PolarHBondContact O-OG1 3.06Å; H6-D291 IonicContact NE2-OD1 3.76Å; H6-D291 WeakPolarHBondContact O-CA 3.28Å; H6-D291 PolarHBondContact O-N 3.13Å
7S98.9Very high98Very high0 Ų029.9 Ų29.90%015%0.147CC..EExtended strand (participates in β ladder)trans-141.5151172.581.40000110.7R59 A72 S74 Y292S7-R59 PolarHBondContact OG-NH2 3.3Å; S7-A72 PolarHBondContact OG-O 2.76Å; S7-S74 PolarHBondContact O-N 3.25Å; S7-S74 PolarHBondContact O-OG 2.97Å; S7-Y292 CarbonylContact C-O 3.58Å; S7-Y292 VanDerWaalsContact CA-O 3.3Å; S7-Y292 WeakPolarHBondContact CA-O 3.43Å
8H98.9Very high98Very high1 Ų133.9 Ų33.91%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-117.9142.8-177.1-58.8-63.9000111.9H6 R59 S74 T75 V76 Q142 H174 D291 Y292 P293 F294H6-H8 AromaticContact CD2-CE1 3.98Å; H6-H8 AromaticContact CD2-NE2 3.59Å; H6-H8 AromaticContact NE2-CE1 3.86Å; H6-H8 AromaticContact NE2-NE2 3.26Å; H6-H8 PolarHBondContact NE2-NE2 3.15Å; H8-R59 VanDerWaalsContact O-CZ 3.31Å; H8-R59 PolarHBondContact O-NH1 2.77Å; H8-R59 PolarHBondContact O-NH2 2.98Å; H8-S74 CarbonylContact C-O 3.48Å; H8-S74 VanDerWaalsContact CA-O 3.27Å; H8-S74 WeakPolarHBondContact CA-O 3.32Å; H8-S74 PolarHBondContact ND1-OG 3.08Å; H8-T75 PolarHBondContact ND1-O 3.42Å; H8-T75 VanDerWaalsContact ND1-O 3.15Å; H8-V76 HydrophobicContact CB-CG2 3.99Å; H8-Q142 PolarHBondContact CE1-OE1 2.88Å; H8-H174 AromaticContact CE1-CD2 3.64Å; H8-H174 AromaticContact CE1-NE2 3.87Å; H8-H174 AromaticContact NE2-CD2 3.7Å; H8-H174 AromaticContact NE2-NE2 3.48Å; H8-H174 PolarHBondContact NE2-NE2 3.49Å; H8-D291 IonicContact CD2-OD1 3.27Å; H8-D291 PolarHBondContact CD2-OD1 3.46Å; H8-D291 VanDerWaalsContact CD2-OD1 3.28Å; H8-D291 IonicContact NE2-OD1 2.69Å; H8-D291 PolarHBondContact NE2-OD1 3.09Å; H8-Y292 PolarHBondContact N-O 2.87Å; H8-P293 WeakPolarHBondContact O-CD 3.27Å; H8-F294 HydrophobicContact CB-CE2 3.83Å; H8-F294 HydrophobicContact CB-CZ 4.19Å; H8-F294 AromaticContact CD2-CD2 3.7Å; H8-F294 AromaticContact CD2-CE2 3.41Å; H8-F294 VanDerWaalsContact CD2-CE2 3.41Å; H8-F294 WeakPolarHBondContact CD2-CE2 3.12Å; H8-F294 AromaticContact CG-CE2 3.84Å
9I98.9Very high97.9Very high4 Ų441.2 Ų41.22%0.02119%0.194CC..  trans-140.2154.9176.3-161170.8000109.8C53 L73 S74 L100 T103I9-C53 WeakPolarHBondContact CA-O 3.46Å; I9-C53 WeakPolarHBondContact CG1-O 3.37Å; I9-L73 HydrophobicContact CB-CD2 4.49Å; I9-L73 HydrophobicContact CD1-CD1 4.23Å; I9-L73 HydrophobicContact CD1-CD2 4.48Å; I9-L73 HydrophobicContact CG2-CB 3.98Å; I9-L73 HydrophobicContact CG2-CD1 4.41Å; I9-L73 HydrophobicContact CG2-CD2 4.46Å; I9-S74 PolarHBondContact N-O 3.18Å; I9-L100 HydrophobicContact CG2-CD1 3.45Å; I9-L100 VanDerWaalsContact CG2-CD1 3.45Å; I9-T103 HydrophobicContact CD1-CG2 4.25Å
10L98.8Very high98Very high1 Ų144.5 Ų44.51%0.00520%0.204CC..  trans-127152.4173.5-70.1170.7000110.2W14 L39 C53 W54 V76 M79L10-W14 HydrophobicContact CB-CZ3 4.26Å; L10-W14 HydrophobicContact CD1-CH2 4.31Å; L10-W14 HydrophobicContact CD2-CH2 4.45Å; L10-L39 HydrophobicContact CD1-CD1 3.99Å; L10-L39 HydrophobicContact CD1-CD2 3.65Å; L10-L39 HydrophobicContact CD1-CG 4.31Å; L10-C53 PolarHBondContact N-O 2.91Å; L10-W54 VanDerWaalsContact O-CA 3.28Å; L10-W54 WeakPolarHBondContact O-CA 3.38Å; L10-W54 WeakPolarHBondContact O-CB 3.45Å; L10-V76 HydrophobicContact CD1-CG2 3.92Å; L10-V76 HydrophobicContact CD2-CB 4.19Å; L10-V76 HydrophobicContact CD2-CG2 3.78Å; L10-V76 HydrophobicContact CG-CG2 3.65Å; L10-M79 HydrophobicContact CD2-CG 3.85Å; L10-M79 HydrophobicContact CD2-SD 4.47Å
11P98.6Very high98Very high6 Ų643.5 Ų43.54%0.03920%0.2CC..  trans-56.5143.7161.7-16.727.5000109.6E13 W14 L95 L96 D99P11-E13 PolarHBondContact O-N 3.18Å; P11-W14 HydrophobicContact CB-CE3 4.26Å; P11-W14 HydrophobicContact CG-CE3 4.47Å; P11-W14 WeakPolarHBondContact O-CZ3 3.27Å; P11-L95 HydrophobicContact CG-CD2 4.33Å; P11-L96 HydrophobicContact CG-CD2 3.72Å; P11-D99 WeakPolarHBondContact CA-OD2 3.48Å; P11-D99 HydrophobicContact CB-CB 4.34Å; P11-D99 HydrophobicContact CG-CB 3.95Å; P11-D99 WeakPolarHBondContact CG-OD2 3.2Å
12K97.8Very high98.3Very high114 Ų11443.8 Ų43.850%0.49622%0.218SC..SBendtrans-60.9-34.2176.3-175.3178.3176.9175.80112.1H31 W54K12-H31 PolarHBondContact O-NE2 3.23Å; K12-W54 HydrophobicContact CB-CB 4.22Å; K12-W54 HydrophobicContact CB-CG 4.27Å; K12-W54 HydrophobicContact CG-CG 4.3Å
13E97.9Very high98.3Very high146 Ų14645.1 Ų45.168%0.68222%0.223SC*.  trans-145.4150.4178.8-62.7-178.5176.700109.7P11P11-E13 PolarHBondContact O-N 3.18Å
14W98.5Very high98.2Very high25 Ų2550.8 Ų50.810%0.09525%0.25CC..  trans-148.6162.716960.390.8000110.3L10 P11 V27 Q28 L29 L39 M79 L95L10-W14 HydrophobicContact CB-CZ3 4.26Å; L10-W14 HydrophobicContact CD1-CH2 4.31Å; L10-W14 HydrophobicContact CD2-CH2 4.45Å; P11-W14 HydrophobicContact CB-CE3 4.26Å; P11-W14 HydrophobicContact CG-CE3 4.47Å; P11-W14 WeakPolarHBondContact O-CZ3 3.27Å; W14-V27 PolarHBondContact NE1-O 3.41Å; W14-V27 VanDerWaalsContact NE1-O 3.1Å; W14-Q28 VanDerWaalsContact NE1-OE1 3.12Å; W14-L29 HydrophobicContact CE3-CB 4.29Å; W14-L29 HydrophobicContact CH2-CB 3.28Å; W14-L29 HydrophobicContact CH2-CD2 4.49Å; W14-L29 HydrophobicContact CH2-CG 4.43Å; W14-L29 HydrophobicContact CZ2-CB 3.96Å; W14-L29 VanDerWaalsContact CZ2-N 3.3Å; W14-L29 HydrophobicContact CZ3-CB 3.44Å; W14-L29 VanDerWaalsContact CZ3-CB 3.44Å; W14-L29 HydrophobicContact CZ3-CD2 4.02Å; W14-L29 HydrophobicContact CZ3-CG 4.37Å; W14-L39 HydrophobicContact CH2-CD2 3.99Å; W14-M79 HydrophobicContact CH2-CE 4.48Å; W14-M79 HydrophobicContact CZ2-CE 4.05Å; W14-M79 HydrophobicContact CZ2-SD 4.46Å; W14-L95 HydrophobicContact CB-CD2 4.19Å
15P98.2Very high98.1Very high61 Ų6151.4 Ų51.440%0.39626%0.256SS..  trans-60.2153.8-180-25.536.3000113.1L17 Q28 L95P15-L17 WeakPolarHBondContact O-CD2 3.31Å; P15-L17 WeakPolarHBondContact O-CG 3.39Å; P15-L17 PolarHBondContact O-N 3.01Å; P15-Q28 PolarHBondContact O-NE2 3.04Å; P15-Q28 VanDerWaalsContact O-NE2 3.16Å; P15-L95 HydrophobicContact CG-CD1 4.38Å
16D97.4Very high98Very high64 Ų6452.1 Ų52.134%0.34226%0.259SS..  trans-60.5103.8168.5-178.4-25.3000109.7K18 K19 R20D16-K18 VanDerWaalsContact C-N 3.29Å; D16-K18 PolarHBondContact O-N 3.12Å; D16-K18 WeakPolarHBondContact OD1-CB 3.26Å; D16-K18 PolarHBondContact OD1-N 3.32Å; D16-K19 HydrophobicContact CB-CB 4.14Å; D16-K19 HydrophobicContact CB-CD 4.07Å; D16-K19 HydrophobicContact CB-CG 4.23Å; D16-K19 PolarHBondContact O-N 2.93Å; D16-K19 PolarHBondContact OD1-N 3.23Å; D16-K19 VanDerWaalsContact OD2-CD 3.31Å; D16-K19 WeakPolarHBondContact OD2-CD 3.28Å; D16-K19 WeakPolarHBondContact OD2-CE 3.38Å; D16-K19 WeakPolarHBondContact OD2-CG 3.39Å; D16-K19 IonicContact OD2-NZ 3.76Å; D16-R20 WeakPolarHBondContact O-CB 3.44Å; D16-R20 PolarHBondContact O-N 2.91Å
17L98Very high97.9Very high0 Ų052.4 Ų52.40%026%0.26CS..Hα-helixtrans-70.3-27.2-173.6-59.7-177.4000111.9P15 R20 F21 W26 L92P15-L17 WeakPolarHBondContact O-CD2 3.31Å; P15-L17 WeakPolarHBondContact O-CG 3.39Å; P15-L17 PolarHBondContact O-N 3.01Å; L17-R20 PolarHBondContact O-N 3.49Å; L17-F21 HydrophobicContact CB-CD2 4Å; L17-F21 HydrophobicContact CB-CE2 4.1Å; L17-F21 HydrophobicContact CD2-CD2 4.46Å; L17-F21 HydrophobicContact CD2-CE2 3.77Å; L17-F21 HydrophobicContact CD2-CZ 4.38Å; L17-F21 HydrophobicContact CG-CE2 4.34Å; L17-F21 WeakPolarHBondContact O-CB 3.19Å; L17-F21 WeakPolarHBondContact O-CD2 3.04Å; L17-F21 PolarHBondContact O-N 2.96Å; L17-W26 HydrophobicContact CB-CB 3.69Å; L17-W26 HydrophobicContact CB-CD2 3.99Å; L17-W26 HydrophobicContact CB-CE3 4.46Å; L17-W26 HydrophobicContact CB-CG 3.63Å; L17-W26 HydrophobicContact CD1-CB 4.06Å; L17-W26 HydrophobicContact CD1-CD2 4.17Å; L17-W26 HydrophobicContact CD1-CE3 3.81Å; L17-W26 HydrophobicContact CD1-CG 4.3Å; L17-W26 HydrophobicContact CG-CB 4.48Å; L17-L92 HydrophobicContact CD1-CD1 3.9Å; L17-L92 HydrophobicContact CD1-CD2 4.24Å; L17-L92 HydrophobicContact CD2-CD1 4.37Å
18K97.2Very high97.8Very high102 Ų10254.7 Ų54.744%0.44327%0.271SS..Hα-helixtrans-65.9-45.4172.6177.2-175.8180174.30110.2D16 R20 G22 Y23 E24D16-K18 VanDerWaalsContact C-N 3.29Å; D16-K18 PolarHBondContact O-N 3.12Å; D16-K18 WeakPolarHBondContact OD1-CB 3.26Å; D16-K18 PolarHBondContact OD1-N 3.32Å; K18-R20 VanDerWaalsContact C-N 3.35Å; K18-G22 VanDerWaalsContact O-CA 3.24Å; K18-G22 WeakPolarHBondContact O-CA 3.42Å; K18-G22 PolarHBondContact O-N 2.89Å; K18-Y23 WeakPolarHBondContact CA-O 3.17Å; K18-E24 HydrophobicContact CD-CG 3.97Å; K18-E24 WeakPolarHBondContact CE-OE1 3.29Å; K18-E24 HydrophobicContact CG-CG 4.44Å; K18-E24 IonicContact NZ-OE1 2.65Å; K18-E24 PolarHBondContact NZ-OE1 2.67Å
19K97.8Very high97.8Very high172 Ų17255.6 Ų55.675%0.74828%0.276SS*.Hα-helixtrans-66.9-37.7175-70.4179.1-172.1170.50112.1D16D16-K19 HydrophobicContact CB-CB 4.14Å; D16-K19 HydrophobicContact CB-CD 4.07Å; D16-K19 HydrophobicContact CB-CG 4.23Å; D16-K19 PolarHBondContact O-N 2.93Å; D16-K19 PolarHBondContact OD1-N 3.23Å; D16-K19 VanDerWaalsContact OD2-CD 3.31Å; D16-K19 WeakPolarHBondContact OD2-CD 3.28Å; D16-K19 WeakPolarHBondContact OD2-CE 3.38Å; D16-K19 WeakPolarHBondContact OD2-CG 3.39Å; D16-K19 IonicContact OD2-NZ 3.76Å
20R98.2Very high97.7Very high107 Ų10760.5 Ų60.540%0.40430%0.299SS..Hα-helixtrans-67.4-43.3-178.5-169176.7-174.51612.7112.8D16 L17 K18 N91 L95D16-R20 WeakPolarHBondContact O-CB 3.44Å; D16-R20 PolarHBondContact O-N 2.91Å; L17-R20 PolarHBondContact O-N 3.49Å; K18-R20 VanDerWaalsContact C-N 3.35Å; R20-N91 PolarHBondContact NE-OD1 3.32Å; R20-N91 PolarHBondContact NH2-OD1 2.85Å; R20-L95 VanDerWaalsContact NH1-CD1 3.34Å
21F98.3Very high97.5Very high24 Ų2463.7 Ų63.711%0.10531%0.313CS..Hα-helixtrans-108.5-14-171.7-55.7-49.3000114.1L17 Y23 W26 D88 N91L17-F21 HydrophobicContact CB-CD2 4Å; L17-F21 HydrophobicContact CB-CE2 4.1Å; L17-F21 HydrophobicContact CD2-CD2 4.46Å; L17-F21 HydrophobicContact CD2-CE2 3.77Å; L17-F21 HydrophobicContact CD2-CZ 4.38Å; L17-F21 HydrophobicContact CG-CE2 4.34Å; L17-F21 WeakPolarHBondContact O-CB 3.19Å; L17-F21 WeakPolarHBondContact O-CD2 3.04Å; L17-F21 PolarHBondContact O-N 2.96Å; F21-Y23 HydrophobicContact CB-CD1 4.24Å; F21-Y23 HydrophobicContact CB-CE1 3.74Å; F21-Y23 WeakPolarHBondContact O-CD1 3.04Å; F21-Y23 WeakPolarHBondContact O-CE1 3.41Å; F21-W26 HydrophobicContact CB-CZ2 4.32Å; F21-W26 HydrophobicContact CD2-CD2 4.17Å; F21-W26 AromaticContact CD2-CE2 3.54Å; F21-W26 AromaticContact CD2-CH2 3.9Å; F21-W26 HydrophobicContact CD2-CH2 3.9Å; F21-W26 AromaticContact CD2-CZ2 3.37Å; F21-W26 HydrophobicContact CD2-CZ2 3.37Å; F21-W26 HydrophobicContact CD2-CZ3 4.48Å; F21-W26 AromaticContact CD2-NE1 3.92Å; F21-W26 AromaticContact CE2-CH2 3.91Å; F21-W26 HydrophobicContact CE2-CH2 3.91Å; F21-W26 AromaticContact CE2-CZ2 3.88Å; F21-W26 HydrophobicContact CE2-CZ2 3.88Å; F21-W26 HydrophobicContact CE2-CZ3 4.25Å; F21-W26 HydrophobicContact CG-CZ2 4.1Å; F21-D88 HydrophobicContact CB-CB 4.36Å; F21-D88 HydrophobicContact CD1-CB 3.7Å; F21-D88 VanDerWaalsContact CD1-OD1 3.31Å; F21-D88 WeakPolarHBondContact CD1-OD1 3.24Å; F21-D88 HydrophobicContact CD2-CB 4.2Å; F21-D88 HydrophobicContact CE1-CB 3.92Å; F21-D88 HydrophobicContact CE2-CB 4.36Å; F21-D88 HydrophobicContact CG-CB 3.85Å; F21-D88 HydrophobicContact CZ-CB 4.24Å; F21-D88 WeakPolarHBondContact CZ-O 3.17Å; F21-N91 HydrophobicContact CE1-CB 4.04Å; F21-N91 HydrophobicContact CZ-CB 4.15Å
22G98.3Very high97.2Very high68 Ų6867 Ų6770%0.70133%0.328SS*.SBendtrans87.514172.300000115.8K18K18-G22 VanDerWaalsContact O-CA 3.24Å; K18-G22 WeakPolarHBondContact O-CA 3.42Å; K18-G22 PolarHBondContact O-N 2.89Å
23Y97.9Very high96.9Very high51 Ų5163.9 Ų63.920%0.232%0.321CS..SBendtrans-151.2165.8177.955.6-84.5000112.9K18 F21 W26 W83 A84 K85 D88K18-Y23 WeakPolarHBondContact CA-O 3.17Å; F21-Y23 HydrophobicContact CB-CD1 4.24Å; F21-Y23 HydrophobicContact CB-CE1 3.74Å; F21-Y23 WeakPolarHBondContact O-CD1 3.04Å; F21-Y23 WeakPolarHBondContact O-CE1 3.41Å; Y23-W26 AromaticContact CD2-NE1 3.64Å; Y23-W26 AromaticContact CE2-CE2 3.77Å; Y23-W26 AromaticContact CE2-CZ2 3.67Å; Y23-W26 HydrophobicContact CE2-CZ2 3.67Å; Y23-W26 AromaticContact CE2-NE1 3.42Å; Y23-W26 AromaticContact CZ-CZ2 3.66Å; Y23-W26 AromaticContact CZ-NE1 3.95Å; Y23-W26 VanDerWaalsContact O-CD1 3.28Å; Y23-W26 WeakPolarHBondContact OH-CZ2 3.46Å; Y23-W83 HydrophobicContact CD2-CH2 4.21Å; Y23-W83 AromaticContact CD2-CZ3 3.91Å; Y23-W83 HydrophobicContact CD2-CZ3 3.91Å; Y23-W83 AromaticContact CE2-CH2 3.91Å; Y23-W83 HydrophobicContact CE2-CH2 3.91Å; Y23-W83 AromaticContact CE2-CZ3 3.6Å; Y23-W83 HydrophobicContact CE2-CZ3 3.6Å; Y23-A84 HydrophobicContact CE2-CB 4.17Å; Y23-K85 HydrophobicContact CE1-CD 4.19Å; Y23-K85 HydrophobicContact CE1-CG 4.41Å; Y23-K85 PolarHBondContact OH-N 2.94Å; Y23-D88 WeakPolarHBondContact CE1-OD2 3.1Å; Y23-D88 VanDerWaalsContact CZ-OD2 3.3Å; Y23-D88 WeakPolarHBondContact OH-CB 3.43Å; Y23-D88 PolarHBondContact OH-OD2 3.19Å
24E96.6Very high96.7Very high120 Ų12066.6 Ų66.656%0.56133%0.33SS*.SBendtrans-86.6-174.3-175.5-57.4-169.6158.100112.9K18 W83K18-E24 HydrophobicContact CD-CG 3.97Å; K18-E24 WeakPolarHBondContact CE-OE1 3.29Å; K18-E24 HydrophobicContact CG-CG 4.44Å; K18-E24 IonicContact NZ-OE1 2.65Å; K18-E24 PolarHBondContact NZ-OE1 2.67Å; E24-W83 VanDerWaalsContact O-CH2 3.23Å; E24-W83 WeakPolarHBondContact O-CH2 3.4Å
25G95.3Very high96.5Very high13 Ų1366.3 Ų66.313%0.13434%0.335CS..  trans97.5-13.8179.700000115.4K41 D42 W83G25-K41 VanDerWaalsContact O-CE 3.23Å; G25-K41 WeakPolarHBondContact O-CE 3.46Å; G25-D42 WeakPolarHBondContact CA-OD1 3.12Å; G25-D42 PolarHBondContact N-OD1 3.38Å; G25-W83 VanDerWaalsContact C-CZ2 3.44Å; G25-W83 VanDerWaalsContact O-CZ2 3.31Å; G25-W83 WeakPolarHBondContact O-CZ2 3.22Å
26W98Very high96.4Very high16 Ų1666.7 Ų66.76%0.06133%0.331CS..  trans-80.4153-178.3-5797.1000113.3L17 F21 Y23 S81 W83 A84 D88 L92L17-W26 HydrophobicContact CB-CB 3.69Å; L17-W26 HydrophobicContact CB-CD2 3.99Å; L17-W26 HydrophobicContact CB-CE3 4.46Å; L17-W26 HydrophobicContact CB-CG 3.63Å; L17-W26 HydrophobicContact CD1-CB 4.06Å; L17-W26 HydrophobicContact CD1-CD2 4.17Å; L17-W26 HydrophobicContact CD1-CE3 3.81Å; L17-W26 HydrophobicContact CD1-CG 4.3Å; L17-W26 HydrophobicContact CG-CB 4.48Å; F21-W26 HydrophobicContact CB-CZ2 4.32Å; F21-W26 HydrophobicContact CD2-CD2 4.17Å; F21-W26 AromaticContact CD2-CE2 3.54Å; F21-W26 AromaticContact CD2-CH2 3.9Å; F21-W26 HydrophobicContact CD2-CH2 3.9Å; F21-W26 AromaticContact CD2-CZ2 3.37Å; F21-W26 HydrophobicContact CD2-CZ2 3.37Å; F21-W26 HydrophobicContact CD2-CZ3 4.48Å; F21-W26 AromaticContact CD2-NE1 3.92Å; F21-W26 AromaticContact CE2-CH2 3.91Å; F21-W26 HydrophobicContact CE2-CH2 3.91Å; F21-W26 AromaticContact CE2-CZ2 3.88Å; F21-W26 HydrophobicContact CE2-CZ2 3.88Å; F21-W26 HydrophobicContact CE2-CZ3 4.25Å; F21-W26 HydrophobicContact CG-CZ2 4.1Å; Y23-W26 AromaticContact CD2-NE1 3.64Å; Y23-W26 AromaticContact CE2-CE2 3.77Å; Y23-W26 AromaticContact CE2-CZ2 3.67Å; Y23-W26 HydrophobicContact CE2-CZ2 3.67Å; Y23-W26 AromaticContact CE2-NE1 3.42Å; Y23-W26 AromaticContact CZ-CZ2 3.66Å; Y23-W26 AromaticContact CZ-NE1 3.95Å; Y23-W26 VanDerWaalsContact O-CD1 3.28Å; Y23-W26 WeakPolarHBondContact OH-CZ2 3.46Å; W26-S81 WeakPolarHBondContact CZ3-OG 3.37Å; W26-W83 HydrophobicContact CD2-CH2 4.12Å; W26-W83 HydrophobicContact CD2-CZ2 4.19Å; W26-W83 AromaticContact CE2-CH2 3.95Å; W26-W83 HydrophobicContact CE3-CZ2 4.36Å; W26-W83 HydrophobicContact CG-CH2 4.35Å; W26-W83 HydrophobicContact CZ2-CH2 4.42Å; W26-A84 HydrophobicContact CH2-CB 3.46Å; W26-A84 VanDerWaalsContact CH2-CB 3.46Å; W26-A84 HydrophobicContact CZ2-CB 3.65Å; W26-A84 HydrophobicContact CZ3-CB 4.28Å; W26-D88 HydrophobicContact CH2-CB 4.15Å; W26-D88 HydrophobicContact CZ2-CB 4.1Å; W26-L92 HydrophobicContact CE3-CD2 3.97Å; W26-L92 HydrophobicContact CZ3-CD2 3.57Å
27V97Very high96.4Very high5 Ų563.7 Ų63.73%0.0332%0.315CS..EExtended strand (participates in β ladder)trans-90.1144.9174.6-177.50000111.4W14 L39 W40 K41 V78 M79W14-V27 PolarHBondContact NE1-O 3.41Å; W14-V27 VanDerWaalsContact NE1-O 3.1Å; V27-L39 HydrophobicContact CG1-CB 4.03Å; V27-L39 HydrophobicContact CG1-CD2 3.66Å; V27-L39 HydrophobicContact CG1-CG 4.39Å; V27-W40 CarbonylContact C-O 3.56Å; V27-W40 VanDerWaalsContact CA-O 3.26Å; V27-W40 WeakPolarHBondContact CA-O 3.47Å; V27-K41 HydrophobicContact CG2-CB 4.12Å; V27-K41 HydrophobicContact CG2-CD 4.11Å; V27-K41 HydrophobicContact CG2-CG 4.13Å; V27-V78 HydrophobicContact CG2-CB 4.48Å; V27-V78 HydrophobicContact CG2-CG1 4.11Å; V27-V78 HydrophobicContact CG2-CG2 3.59Å; V27-M79 HydrophobicContact CB-SD 3.9Å; V27-M79 HydrophobicContact CG1-SD 4.32Å
28Q97.1Very high96.4Very high48 Ų4866.6 Ų66.622%0.22433%0.328CS..EExtended strand (participates in β ladder)trans-130.3139.9172.8-69.6-62-24.300111.2W14 P15 L39 W40W14-Q28 VanDerWaalsContact NE1-OE1 3.12Å; P15-Q28 PolarHBondContact O-NE2 3.04Å; P15-Q28 VanDerWaalsContact O-NE2 3.16Å; Q28-L39 CarbonylContact O-C 3.53Å; Q28-L39 WeakPolarHBondContact O-CA 3.49Å; Q28-W40 PolarHBondContact N-O 3.47Å; Q28-W40 PolarHBondContact O-N 3.32Å
29L97.4Very high96.4Very high20 Ų2061.7 Ų61.711%0.10531%0.307CS..EExtended strand (participates in β ladder)trans-96123.7172.3-174.967.8000109.9W14 A37 K38 L39 V49 W54W14-L29 HydrophobicContact CE3-CB 4.29Å; W14-L29 HydrophobicContact CH2-CB 3.28Å; W14-L29 HydrophobicContact CH2-CD2 4.49Å; W14-L29 HydrophobicContact CH2-CG 4.43Å; W14-L29 HydrophobicContact CZ2-CB 3.96Å; W14-L29 VanDerWaalsContact CZ2-N 3.3Å; W14-L29 HydrophobicContact CZ3-CB 3.44Å; W14-L29 VanDerWaalsContact CZ3-CB 3.44Å; W14-L29 HydrophobicContact CZ3-CD2 4.02Å; W14-L29 HydrophobicContact CZ3-CG 4.37Å; L29-A37 HydrophobicContact CD1-CB 3.47Å; L29-A37 VanDerWaalsContact CD1-CB 3.47Å; L29-A37 HydrophobicContact CD2-CB 4.49Å; L29-A37 HydrophobicContact CG-CB 3.9Å; L29-K38 WeakPolarHBondContact CA-O 3.41Å; L29-L39 HydrophobicContact CB-CD2 4.16Å; L29-L39 HydrophobicContact CD1-CD2 3.78Å; L29-L39 HydrophobicContact CD1-CG 4.11Å; L29-V49 HydrophobicContact CD1-CG2 3.78Å; L29-W54 HydrophobicContact CD1-CE3 4.5Å; L29-W54 HydrophobicContact CD1-CZ3 4.23Å; L29-W54 HydrophobicContact CD2-CD2 4.29Å; L29-W54 HydrophobicContact CD2-CE3 3.8Å; L29-W54 HydrophobicContact CD2-CZ3 4.27Å
30Q96.8Very high96.3Very high108 Ų10857.5 Ų57.551%0.50529%0.286SS..EExtended strand (participates in β ladder)trans-121.4116.5177.6-169.8-174.623.900110.6H32 A37 K38Q30-H32 PolarHBondContact O-N 3.49Å; Q30-A37 CarbonylContact O-C 3.55Å; Q30-A37 VanDerWaalsContact O-CA 3.27Å; Q30-A37 WeakPolarHBondContact O-CA 3.45Å; Q30-A37 WeakPolarHBondContact O-CB 3.2Å; Q30-K38 PolarHBondContact N-O 2.81Å; Q30-K38 PolarHBondContact O-N 3.06Å
31H96.2Very high96Very high67 Ų6755.2 Ų55.231%0.3128%0.279SS..EExtended strand (participates in β ladder)trans-72.5119.2172.5-60-91.6000109.1K12 W54K12-H31 PolarHBondContact O-NE2 3.23Å; H31-W54 AromaticContact CE1-CE2 3.64Å; H31-W54 AromaticContact CE1-CZ2 3.82Å; H31-W54 AromaticContact CE1-NE1 3.84Å; H31-W54 AromaticContact ND1-CZ2 3.89Å
32H90.7Very high95.4Very high76 Ų7658.6 Ų58.635%0.35230%0.298SS..EExtended strand (participates in β ladder)trans-119.5-14.1-175.271.477.4000113.7Q30 E36 K38Q30-H32 PolarHBondContact O-N 3.49Å; H32-E36 IonicContact CE1-OE2 3.49Å; H32-E36 PolarHBondContact CE1-OE2 3.16Å; H32-E36 PolarHBondContact N-O 3.39Å; H32-K38 VanDerWaalsContact CD2-CD 3.49Å; H32-K38 WeakPolarHBondContact CD2-CD 3.43Å; H32-K38 WeakPolarHBondContact NE2-CE 3.07Å
33S92.9Very high95Very high48 Ų4858.6 Ų58.634%0.33630%0.299SS..EExtended strand (participates in β ladder)trans-152.2168.3175.957.60000109.2G35 E36S33-G35 PolarHBondContact O-N 2.93Å; S33-E36 PolarHBondContact O-N 3.09Å; S33-E36 VanDerWaalsContact OG-CB 3.27Å; S33-E36 WeakPolarHBondContact OG-CB 3.38Å; S33-E36 WeakPolarHBondContact OG-CG 3.3Å; S33-E36 PolarHBondContact OG-OE2 3.43Å
34K93.1Very high94.7Very high204 Ų20463.9 Ų63.989%0.88732%0.323SS*.THydrogen-bonded Turntrans-64.9120.5175.2-174.8179.4-179.9-179.10109
35G93.3Very high94.6Very high18 Ų1861 Ų6119%0.18631%0.313CS..THydrogen-bonded Turntrans86.2-4.8178.700000116S33 R50 E51S33-G35 PolarHBondContact O-N 2.93Å; G35-R50 CarbonylContact O-C 3.59Å; G35-R50 WeakPolarHBondContact O-CA 3.14Å; G35-E51 VanDerWaalsContact CA-OE1 3.3Å; G35-E51 WeakPolarHBondContact CA-OE1 2.79Å; G35-E51 PolarHBondContact N-OE1 3.06Å; G35-E51 PolarHBondContact O-N 3.4Å
36E96.4Very high94.5Very high70 Ų7062.9 Ų62.933%0.32732%0.317SS..EExtended strand (participates in β ladder)trans-134.2145-176.9-39.4177.5124.400113.1H32 S33 V49H32-E36 IonicContact CE1-OE2 3.49Å; H32-E36 PolarHBondContact CE1-OE2 3.16Å; H32-E36 PolarHBondContact N-O 3.39Å; S33-E36 PolarHBondContact O-N 3.09Å; S33-E36 VanDerWaalsContact OG-CB 3.27Å; S33-E36 WeakPolarHBondContact OG-CB 3.38Å; S33-E36 WeakPolarHBondContact OG-CG 3.3Å; S33-E36 PolarHBondContact OG-OE2 3.43Å; E36-V49 WeakPolarHBondContact CA-O 3.23Å
37A97.6Very high94.3Very high0 Ų064.1 Ų64.10%032%0.322CS..EExtended strand (participates in β ladder)trans-140.9160.6175.400000111L29 Q30 V49 W54L29-A37 HydrophobicContact CD1-CB 3.47Å; L29-A37 VanDerWaalsContact CD1-CB 3.47Å; L29-A37 HydrophobicContact CD2-CB 4.49Å; L29-A37 HydrophobicContact CG-CB 3.9Å; Q30-A37 CarbonylContact O-C 3.55Å; Q30-A37 VanDerWaalsContact O-CA 3.27Å; Q30-A37 WeakPolarHBondContact O-CA 3.45Å; Q30-A37 WeakPolarHBondContact O-CB 3.2Å; A37-V49 HydrophobicContact CB-CG2 4.35Å; A37-V49 PolarHBondContact N-O 3.33Å; A37-V49 VanDerWaalsContact O-CG2 3.3Å; A37-V49 WeakPolarHBondContact O-CG2 3.42Å; A37-V49 PolarHBondContact O-N 2.88Å; A37-W54 HydrophobicContact CB-CH2 3.3Å; A37-W54 HydrophobicContact CB-CZ2 4.01Å; A37-W54 HydrophobicContact CB-CZ3 3.66Å
38K97.9Very high94.3Very high61 Ų6167.6 Ų67.627%0.26534%0.343SS..EExtended strand (participates in β ladder)trans-116129.9179.1-78.4164.7-177.7173.90109.9L29 Q30 H32 W40 V45 R47 V48L29-K38 WeakPolarHBondContact CA-O 3.41Å; Q30-K38 PolarHBondContact N-O 2.81Å; Q30-K38 PolarHBondContact O-N 3.06Å; H32-K38 VanDerWaalsContact CD2-CD 3.49Å; H32-K38 WeakPolarHBondContact CD2-CD 3.43Å; H32-K38 WeakPolarHBondContact NE2-CE 3.07Å; K38-W40 HydrophobicContact CD-CZ2 4.4Å; K38-V45 HydrophobicContact CB-CG1 4.21Å; K38-V45 HydrophobicContact CD-CG1 4.34Å; K38-V45 HydrophobicContact CD-CG2 4.02Å; K38-V45 HydrophobicContact CG-CG1 3.94Å; K38-V45 HydrophobicContact CG-CG2 4.43Å; K38-R47 WeakPolarHBondContact CA-O 3.42Å; K38-V48 HydrophobicContact CG-CG2 4.09Å
39L96.8Very high94.4Very high0 Ų065.7 Ų65.70%034%0.335CS..EExtended strand (participates in β ladder)trans-81.6117.4163.4-69.6170.7000108.4L10 W14 V27 Q28 L29 F46 R47 V49L10-L39 HydrophobicContact CD1-CD1 3.99Å; L10-L39 HydrophobicContact CD1-CD2 3.65Å; L10-L39 HydrophobicContact CD1-CG 4.31Å; W14-L39 HydrophobicContact CH2-CD2 3.99Å; V27-L39 HydrophobicContact CG1-CB 4.03Å; V27-L39 HydrophobicContact CG1-CD2 3.66Å; V27-L39 HydrophobicContact CG1-CG 4.39Å; Q28-L39 CarbonylContact O-C 3.53Å; Q28-L39 WeakPolarHBondContact O-CA 3.49Å; L29-L39 HydrophobicContact CB-CD2 4.16Å; L29-L39 HydrophobicContact CD1-CD2 3.78Å; L29-L39 HydrophobicContact CD1-CG 4.11Å; L39-F46 HydrophobicContact CB-CB 4.48Å; L39-F46 HydrophobicContact CB-CD1 4.3Å; L39-F46 HydrophobicContact CD1-CD1 4.44Å; L39-F46 PolarHBondContact O-N 2.99Å; L39-R47 HydrophobicContact CB-CB 4.41Å; L39-R47 HydrophobicContact CD1-CB 4.24Å; L39-R47 PolarHBondContact N-O 3.26Å; L39-R47 PolarHBondContact O-N 3.21Å; L39-V49 HydrophobicContact CD1-CG1 4.47Å; L39-V49 HydrophobicContact CG-CG2 4.37Å
40W96.3Very high94.4Very high84 Ų8472.7 Ų72.732%0.31836%0.36SS..EExtended strand (participates in β ladder)trans-104.5134.9177.3-71.589000110.4V27 Q28 K38 G43 K44 V45V27-W40 CarbonylContact C-O 3.56Å; V27-W40 VanDerWaalsContact CA-O 3.26Å; V27-W40 WeakPolarHBondContact CA-O 3.47Å; Q28-W40 PolarHBondContact N-O 3.47Å; Q28-W40 PolarHBondContact O-N 3.32Å; K38-W40 HydrophobicContact CD-CZ2 4.4Å; W40-G43 WeakPolarHBondContact CZ3-O 3.33Å; W40-K44 WeakPolarHBondContact CA-O 3.47Å; W40-V45 HydrophobicContact CD2-CG2 4.01Å; W40-V45 HydrophobicContact CE3-CG2 4.02Å; W40-V45 HydrophobicContact CH2-CG2 3.6Å; W40-V45 HydrophobicContact CZ2-CG2 3.57Å; W40-V45 HydrophobicContact CZ3-CG2 3.83Å
41K93.1Very high94.4Very high59 Ų5971 Ų7126%0.25735%0.352SS..EExtended strand (participates in β ladder)trans-137.2125.6171-169179.2175.7-179.50108.3G25 V27 G43 K44 F46 V78G25-K41 VanDerWaalsContact O-CE 3.23Å; G25-K41 WeakPolarHBondContact O-CE 3.46Å; V27-K41 HydrophobicContact CG2-CB 4.12Å; V27-K41 HydrophobicContact CG2-CD 4.11Å; V27-K41 HydrophobicContact CG2-CG 4.13Å; K41-G43 VanDerWaalsContact C-N 3.29Å; K41-G43 PolarHBondContact O-N 2.65Å; K41-K44 PolarHBondContact N-O 2.87Å; K41-K44 PolarHBondContact O-N 3.5Å; K41-F46 HydrophobicContact CB-CB 4.46Å; K41-V78 HydrophobicContact CD-CG2 4.42Å
42D85.9Confident94.5Very high94 Ų9469 Ų6950%0.50334%0.344SS..THydrogen-bonded Turntrans47.947.7175.4-53.1-38.6000114G25 K44G25-D42 WeakPolarHBondContact CA-OD1 3.12Å; G25-D42 PolarHBondContact N-OD1 3.38Å; D42-K44 VanDerWaalsContact C-N 3.25Å; D42-K44 PolarHBondContact O-N 2.86Å
43G88.3Confident94.9Very high69 Ų6965.4 Ų65.471%0.71133%0.327SS*.THydrogen-bonded Turntrans75.23.9177.600000115.6W40 K41W40-G43 WeakPolarHBondContact CZ3-O 3.33Å; K41-G43 VanDerWaalsContact C-N 3.29Å; K41-G43 PolarHBondContact O-N 2.65Å
44K92.4Very high95.2Very high162 Ų16263.8 Ų63.870%0.70431%0.313SS*.EExtended strand (participates in β ladder)trans-115.2146.6176.1-63.2-179.7-175.7174.40111.2W40 K41 D42 F46W40-K44 WeakPolarHBondContact CA-O 3.47Å; K41-K44 PolarHBondContact N-O 2.87Å; K41-K44 PolarHBondContact O-N 3.5Å; D42-K44 VanDerWaalsContact C-N 3.25Å; D42-K44 PolarHBondContact O-N 2.86Å; K44-F46 PolarHBondContact O-N 3.07Å
45V95.1Very high95.4Very high59 Ų5956.1 Ų56.136%0.35828%0.282SS..EExtended strand (participates in β ladder)trans-73.3110.5168.4-1800000107.7K38 W40 V48K38-V45 HydrophobicContact CB-CG1 4.21Å; K38-V45 HydrophobicContact CD-CG1 4.34Å; K38-V45 HydrophobicContact CD-CG2 4.02Å; K38-V45 HydrophobicContact CG-CG1 3.94Å; K38-V45 HydrophobicContact CG-CG2 4.43Å; W40-V45 HydrophobicContact CD2-CG2 4.01Å; W40-V45 HydrophobicContact CE3-CG2 4.02Å; W40-V45 HydrophobicContact CH2-CG2 3.6Å; W40-V45 HydrophobicContact CZ2-CG2 3.57Å; W40-V45 HydrophobicContact CZ3-CG2 3.83Å; V45-V48 HydrophobicContact CG1-CG2 4.22Å
46F91.9Very high95.7Very high52 Ų5256.6 Ų56.623%0.22828%0.282CS..EExtended strand (participates in β ladder)trans-75.3-43.7175.1172.4-105.2000111.2L39 K41 K44 V78 W176 W191L39-F46 HydrophobicContact CB-CB 4.48Å; L39-F46 HydrophobicContact CB-CD1 4.3Å; L39-F46 HydrophobicContact CD1-CD1 4.44Å; L39-F46 PolarHBondContact O-N 2.99Å; K41-F46 HydrophobicContact CB-CB 4.46Å; K44-F46 PolarHBondContact O-N 3.07Å; F46-V78 HydrophobicContact CE1-CB 4.19Å; F46-V78 HydrophobicContact CE1-CG1 4.22Å; F46-V78 HydrophobicContact CE1-CG2 4.32Å; F46-V78 HydrophobicContact CZ-CB 4.44Å; F46-V78 HydrophobicContact CZ-CG2 4.43Å; F46-W176 HydrophobicContact CE1-CH2 4.41Å; F46-W176 AromaticContact CE2-CH2 3.83Å; F46-W176 HydrophobicContact CE2-CH2 3.83Å; F46-W176 AromaticContact CZ-CH2 3.47Å; F46-W176 HydrophobicContact CZ-CH2 3.47Å; F46-W176 VanDerWaalsContact CZ-CH2 3.47Å; F46-W176 HydrophobicContact CZ-CZ3 4Å; F46-W191 HydrophobicContact CE2-CH2 4.32Å; F46-W191 HydrophobicContact CE2-CZ2 4.18Å; F46-W191 HydrophobicContact CZ-CZ2 4.12Å
47R94.8Very high95.8Very high42 Ų4259.5 Ų59.516%0.15830%0.296CS..EExtended strand (participates in β ladder)trans-157.3144.8-178.3-171.9172.7-70.8-158.8-7.3111.6K38 L39 V49K38-R47 WeakPolarHBondContact CA-O 3.42Å; L39-R47 HydrophobicContact CB-CB 4.41Å; L39-R47 HydrophobicContact CD1-CB 4.24Å; L39-R47 PolarHBondContact N-O 3.26Å; L39-R47 PolarHBondContact O-N 3.21Å; R47-V49 HydrophobicContact CG-CG1 4.06Å
48V96.8Very high95.9Very high78 Ų7861.1 Ų61.147%0.47331%0.306SS..EExtended strand (participates in β ladder)trans-96.8134.6166-176.20000108.1K38 V45K38-V48 HydrophobicContact CG-CG2 4.09Å; V45-V48 HydrophobicContact CG1-CG2 4.22Å
49V97.9Very high95.9Very high9 Ų958.2 Ų58.26%0.05529%0.293CS..EExtended strand (participates in β ladder)trans-134.3157.7-174.6-79.70000109.8L29 E36 A37 L39 R47 C53 W54 F294L29-V49 HydrophobicContact CD1-CG2 3.78Å; E36-V49 WeakPolarHBondContact CA-O 3.23Å; A37-V49 HydrophobicContact CB-CG2 4.35Å; A37-V49 PolarHBondContact N-O 3.33Å; A37-V49 VanDerWaalsContact O-CG2 3.3Å; A37-V49 WeakPolarHBondContact O-CG2 3.42Å; A37-V49 PolarHBondContact O-N 2.88Å; L39-V49 HydrophobicContact CD1-CG1 4.47Å; L39-V49 HydrophobicContact CG-CG2 4.37Å; R47-V49 HydrophobicContact CG-CG1 4.06Å; V49-C53 HydrophobicContact CB-CB 3.94Å; V49-C53 HydrophobicContact CG1-CB 4.27Å; V49-W54 HydrophobicContact CB-CZ3 3.88Å; V49-W54 HydrophobicContact CG2-CE3 4.46Å; V49-W54 HydrophobicContact CG2-CH2 4.28Å; V49-W54 HydrophobicContact CG2-CZ3 3.52Å; V49-F294 HydrophobicContact CG1-CE1 4.09Å
50R98.2Very high96Very high167 Ų16759.1 Ų59.163%0.6330%0.298SS*.EExtended strand (participates in β ladder)trans-109.5172178.9-67.5-168.7-179.5115.61.2111.8G35 N52 C53 W54G35-R50 CarbonylContact O-C 3.59Å; G35-R50 WeakPolarHBondContact O-CA 3.14Å; R50-N52 PolarHBondContact O-N 3.01Å; R50-C53 WeakPolarHBondContact O-CB 3.31Å; R50-C53 PolarHBondContact O-N 3.32Å; R50-W54 WeakPolarHBondContact O-CH2 3.44Å; R50-W54 WeakPolarHBondContact O-CZ3 3.43Å
51E97.8Very high96.1Very high73 Ų7363.5 Ų63.534%0.34131%0.314SS..G310 helixtrans-44.1-39.4177.9-95.2167.6-163.600114.2G35 C53 W54 D55 V58G35-E51 VanDerWaalsContact CA-OE1 3.3Å; G35-E51 WeakPolarHBondContact CA-OE1 2.79Å; G35-E51 PolarHBondContact N-OE1 3.06Å; G35-E51 PolarHBondContact O-N 3.4Å; E51-C53 PolarHBondContact O-N 3.47Å; E51-W54 VanDerWaalsContact CA-CZ2 3.48Å; E51-W54 HydrophobicContact CB-CZ2 4.46Å; E51-W54 HydrophobicContact CG-CZ2 4.18Å; E51-W54 PolarHBondContact O-N 3.22Å; E51-D55 WeakPolarHBondContact O-CB 3.48Å; E51-D55 PolarHBondContact O-N 3.5Å; E51-V58 HydrophobicContact CB-CG1 4.38Å; E51-V58 HydrophobicContact CB-CG2 4.21Å
52N98.3Very high96.4Very high24 Ų2463.5 Ų63.513%0.12832%0.315CS..G310 helixtrans-63.5-7178.169-4.9000115.3R50 V58 R59 E62 Y292 P293R50-N52 PolarHBondContact O-N 3.01Å; N52-V58 HydrophobicContact CB-CG1 3.92Å; N52-R59 HydrophobicContact CB-CG 4.35Å; N52-R59 VanDerWaalsContact O-CD 3.28Å; N52-R59 WeakPolarHBondContact O-CD 3.45Å; N52-R59 WeakPolarHBondContact O-CG 3.28Å; N52-R59 PolarHBondContact O-NH1 3.47Å; N52-E62 PolarHBondContact ND2-OE1 3.23Å; N52-E62 PolarHBondContact ND2-OE2 3.35Å; N52-Y292 VanDerWaalsContact CB-OH 3.32Å; N52-Y292 WeakPolarHBondContact CB-OH 3.45Å; N52-P293 WeakPolarHBondContact OD1-CB 3.47Å
53C98.4Very high97Very high0 Ų059.2 Ų59.20%029%0.292CS..G310 helixtrans-84.8-12.3173.6-161.90000113.3I9 L10 V49 R50 E51 P293I9-C53 WeakPolarHBondContact CA-O 3.46Å; I9-C53 WeakPolarHBondContact CG1-O 3.37Å; L10-C53 PolarHBondContact N-O 2.91Å; V49-C53 HydrophobicContact CB-CB 3.94Å; V49-C53 HydrophobicContact CG1-CB 4.27Å; R50-C53 WeakPolarHBondContact O-CB 3.31Å; R50-C53 PolarHBondContact O-N 3.32Å; E51-C53 PolarHBondContact O-N 3.47Å; C53-P293 HydrophobicContact CB-CG 3.99Å
54W98.6Very high97.5Very high14 Ų1460.5 Ų60.55%0.05328%0.282CS..THydrogen-bonded Turntrans-142.4-21.2179.353.177.6000114.9L10 K12 L29 H31 A37 V49 R50 E51 P56L10-W54 VanDerWaalsContact O-CA 3.28Å; L10-W54 WeakPolarHBondContact O-CA 3.38Å; L10-W54 WeakPolarHBondContact O-CB 3.45Å; K12-W54 HydrophobicContact CB-CB 4.22Å; K12-W54 HydrophobicContact CB-CG 4.27Å; K12-W54 HydrophobicContact CG-CG 4.3Å; L29-W54 HydrophobicContact CD1-CE3 4.5Å; L29-W54 HydrophobicContact CD1-CZ3 4.23Å; L29-W54 HydrophobicContact CD2-CD2 4.29Å; L29-W54 HydrophobicContact CD2-CE3 3.8Å; L29-W54 HydrophobicContact CD2-CZ3 4.27Å; H31-W54 AromaticContact CE1-CE2 3.64Å; H31-W54 AromaticContact CE1-CZ2 3.82Å; H31-W54 AromaticContact CE1-NE1 3.84Å; H31-W54 AromaticContact ND1-CZ2 3.89Å; A37-W54 HydrophobicContact CB-CH2 3.3Å; A37-W54 HydrophobicContact CB-CZ2 4.01Å; A37-W54 HydrophobicContact CB-CZ3 3.66Å; V49-W54 HydrophobicContact CB-CZ3 3.88Å; V49-W54 HydrophobicContact CG2-CE3 4.46Å; V49-W54 HydrophobicContact CG2-CH2 4.28Å; V49-W54 HydrophobicContact CG2-CZ3 3.52Å; R50-W54 WeakPolarHBondContact O-CH2 3.44Å; R50-W54 WeakPolarHBondContact O-CZ3 3.43Å; E51-W54 VanDerWaalsContact CA-CZ2 3.48Å; E51-W54 HydrophobicContact CB-CZ2 4.46Å; E51-W54 HydrophobicContact CG-CZ2 4.18Å; E51-W54 PolarHBondContact O-N 3.22Å; W54-P56 WeakPolarHBondContact O-CD 3.46Å
55D98.7Very high97.8Very high44 Ų4458.8 Ų58.824%0.23528%0.277CS..  trans-94.9111.5-176.6-167.8-48000111.1E51 E57 V58 R59E51-D55 WeakPolarHBondContact O-CB 3.48Å; E51-D55 PolarHBondContact O-N 3.5Å; D55-E57 VanDerWaalsContact C-N 3.34Å; D55-E57 PolarHBondContact O-N 3.46Å; D55-E57 WeakPolarHBondContact OD1-CB 3.46Å; D55-E57 PolarHBondContact OD1-N 2.93Å; D55-V58 HydrophobicContact CB-CB 4.12Å; D55-V58 HydrophobicContact CB-CG2 3.93Å; D55-V58 PolarHBondContact O-N 2.97Å; D55-V58 PolarHBondContact OD1-N 2.79Å; D55-R59 WeakPolarHBondContact O-CG 3.47Å; D55-R59 PolarHBondContact O-N 2.78Å; D55-R59 VanDerWaalsContact O-N 3.12Å
56P98.7Very high97.9Very high28 Ų2859.5 Ų59.518%0.18228%0.275CS..Hα-helixtrans-69.3-27.4-176.928-34.6000113.6W54 R59 I60 T103 Y107 F111W54-P56 WeakPolarHBondContact O-CD 3.46Å; P56-R59 PolarHBondContact O-N 2.81Å; P56-I60 WeakPolarHBondContact O-CB 3.33Å; P56-I60 VanDerWaalsContact O-CG1 3.29Å; P56-I60 WeakPolarHBondContact O-CG1 3.4Å; P56-I60 PolarHBondContact O-N 3.43Å; P56-T103 HydrophobicContact CB-CG2 3.95Å; P56-Y107 HydrophobicContact CB-CD2 4.2Å; P56-Y107 HydrophobicContact CB-CE2 3.92Å; P56-Y107 HydrophobicContact CG-CE2 4.07Å; P56-F111 HydrophobicContact CB-CE2 4.18Å
57E98.8Very high98.2Very high131 Ų13159.1 Ų59.161%0.61229%0.286SS*.Hα-helixtrans-69.7-42.1177.5-69.1-176.5-175.400110.7D55 R59 I60 R61 Y107D55-E57 VanDerWaalsContact C-N 3.34Å; D55-E57 PolarHBondContact O-N 3.46Å; D55-E57 WeakPolarHBondContact OD1-CB 3.46Å; D55-E57 PolarHBondContact OD1-N 2.93Å; E57-R59 VanDerWaalsContact C-N 3.33Å; E57-I60 PolarHBondContact O-N 2.87Å; E57-R61 PolarHBondContact O-N 3.43Å; E57-Y107 WeakPolarHBondContact CG-OH 3.47Å
58V98.6Very high98.4Very high34 Ų3457.3 Ų57.321%0.20628%0.279CS..Hα-helixtrans-61.4-44.5173.9179.10000110.4E51 N52 D55 R61 E62E51-V58 HydrophobicContact CB-CG1 4.38Å; E51-V58 HydrophobicContact CB-CG2 4.21Å; N52-V58 HydrophobicContact CB-CG1 3.92Å; D55-V58 HydrophobicContact CB-CB 4.12Å; D55-V58 HydrophobicContact CB-CG2 3.93Å; D55-V58 PolarHBondContact O-N 2.97Å; D55-V58 PolarHBondContact OD1-N 2.79Å; V58-R61 PolarHBondContact O-N 2.82Å; V58-E62 PolarHBondContact O-N 3.01Å; V58-E62 VanDerWaalsContact O-N 3.11Å
59R98.8Very high98.5Very high0 Ų055.3 Ų55.30%027%0.268CS..Hα-helixtrans-60-47.9176.1-69.3-17884.9108.7-15.1112.3S7 H8 N52 D55 P56 E57 R61 E62 M63 Q71 F111 Y292S7-R59 PolarHBondContact OG-NH2 3.3Å; H8-R59 VanDerWaalsContact O-CZ 3.31Å; H8-R59 PolarHBondContact O-NH1 2.77Å; H8-R59 PolarHBondContact O-NH2 2.98Å; N52-R59 HydrophobicContact CB-CG 4.35Å; N52-R59 VanDerWaalsContact O-CD 3.28Å; N52-R59 WeakPolarHBondContact O-CD 3.45Å; N52-R59 WeakPolarHBondContact O-CG 3.28Å; N52-R59 PolarHBondContact O-NH1 3.47Å; D55-R59 WeakPolarHBondContact O-CG 3.47Å; D55-R59 PolarHBondContact O-N 2.78Å; D55-R59 VanDerWaalsContact O-N 3.12Å; P56-R59 PolarHBondContact O-N 2.81Å; E57-R59 VanDerWaalsContact C-N 3.33Å; R59-R61 VanDerWaalsContact C-N 3.29Å; R59-R61 PolarHBondContact O-N 2.85Å; R59-E62 PolarHBondContact O-N 2.96Å; R59-E62 VanDerWaalsContact O-N 3.13Å; R59-M63 WeakPolarHBondContact O-CB 3.25Å; R59-M63 VanDerWaalsContact O-CG 3.25Å; R59-M63 WeakPolarHBondContact O-CG 3.31Å; R59-M63 PolarHBondContact O-N 3.03Å; R59-Q71 VanDerWaalsContact NE-OE1 3.11Å; R59-F111 HydrophobicContact CB-CZ 4.4Å; R59-Y292 HydrophobicContact CG-CE1 3.99Å; R59-Y292 VanDerWaalsContact NH2-CD1 3.34Å
60I98.9Very high98.5Very high19 Ų1954.9 Ų54.910%0.09727%0.265CS..Hα-helixtrans-60-42.5179.7-75.7167.6000110.9P56 E57 E62 M63 D64 Y107 R110 F111P56-I60 WeakPolarHBondContact O-CB 3.33Å; P56-I60 VanDerWaalsContact O-CG1 3.29Å; P56-I60 WeakPolarHBondContact O-CG1 3.4Å; P56-I60 PolarHBondContact O-N 3.43Å; E57-I60 PolarHBondContact O-N 2.87Å; I60-E62 VanDerWaalsContact C-N 3.31Å; I60-E62 PolarHBondContact O-N 3.01Å; I60-M63 HydrophobicContact CG1-SD 4.45Å; I60-M63 WeakPolarHBondContact O-CB 3.19Å; I60-M63 PolarHBondContact O-N 3.09Å; I60-D64 WeakPolarHBondContact O-CB 3.21Å; I60-D64 PolarHBondContact O-N 3.39Å; I60-Y107 HydrophobicContact CD1-CD1 3.26Å; I60-Y107 HydrophobicContact CD1-CD2 3.62Å; I60-Y107 HydrophobicContact CD1-CE1 3.52Å; I60-Y107 HydrophobicContact CD1-CE2 3.88Å; I60-Y107 HydrophobicContact CD1-CG 3.3Å; I60-R110 HydrophobicContact CD1-CG 4.47Å; I60-F111 HydrophobicContact CD1-CE2 3.9Å; I60-F111 HydrophobicContact CD1-CZ 4.24Å; I60-F111 HydrophobicContact CG1-CE2 3.96Å; I60-F111 HydrophobicContact CG1-CZ 3.77Å
61R98.8Very high98.6Very high176 Ų17647.1 Ų47.166%0.66424%0.236SC*.Hα-helixtrans-58.8-42.9175.9-177.5-177178.2-167.6-1.6112E57 V58 R59 Q65E57-R61 PolarHBondContact O-N 3.43Å; V58-R61 PolarHBondContact O-N 2.82Å; R59-R61 VanDerWaalsContact C-N 3.29Å; R59-R61 PolarHBondContact O-N 2.85Å; R61-Q65 VanDerWaalsContact O-CG 3.29Å; R61-Q65 WeakPolarHBondContact O-CG 3.41Å; R61-Q65 PolarHBondContact O-N 2.86Å
62E98.8Very high98.6Very high59 Ų5943.6 Ų43.628%0.27622%0.22SC..Hα-helixtrans-69.5-40.6176.6-69.2179-164.900111.7N52 V58 R59 I60 D64 Q65 K66 Y292N52-E62 PolarHBondContact ND2-OE1 3.23Å; N52-E62 PolarHBondContact ND2-OE2 3.35Å; V58-E62 PolarHBondContact O-N 3.01Å; V58-E62 VanDerWaalsContact O-N 3.11Å; R59-E62 PolarHBondContact O-N 2.96Å; R59-E62 VanDerWaalsContact O-N 3.13Å; I60-E62 VanDerWaalsContact C-N 3.31Å; I60-E62 PolarHBondContact O-N 3.01Å; E62-D64 VanDerWaalsContact C-N 3.34Å; E62-D64 PolarHBondContact O-N 3.16Å; E62-Q65 PolarHBondContact O-N 3.02Å; E62-K66 WeakPolarHBondContact O-CG 3.27Å; E62-K66 PolarHBondContact O-N 3.46Å; E62-Y292 VanDerWaalsContact OE2-CE2 3.26Å; E62-Y292 WeakPolarHBondContact OE2-CE2 3.19Å; E62-Y292 VanDerWaalsContact OE2-CZ 3.27Å; E62-Y292 PolarHBondContact OE2-OH 3.39Å
63M98.8Very high98.6Very high4 Ų442.5 Ų42.52%0.0221%0.213CC..Hα-helixtrans-58.1-44.6174.2-72166.86500111.7R59 I60 Q65 K66 G67 V68 Q71 R110 F111R59-M63 WeakPolarHBondContact O-CB 3.25Å; R59-M63 VanDerWaalsContact O-CG 3.25Å; R59-M63 WeakPolarHBondContact O-CG 3.31Å; R59-M63 PolarHBondContact O-N 3.03Å; I60-M63 HydrophobicContact CG1-SD 4.45Å; I60-M63 WeakPolarHBondContact O-CB 3.19Å; I60-M63 PolarHBondContact O-N 3.09Å; M63-Q65 VanDerWaalsContact C-N 3.34Å; M63-Q65 PolarHBondContact O-N 3.21Å; M63-K66 CarbonylContact O-C 3.16Å; M63-K66 PolarHBondContact O-N 2.99Å; M63-G67 PolarHBondContact O-N 2.84Å; M63-V68 HydrophobicContact CB-CB 4.09Å; M63-V68 HydrophobicContact CE-CG1 4.25Å; M63-V68 HydrophobicContact CG-CB 4.18Å; M63-V68 HydrophobicContact CG-CG1 4.32Å; M63-V68 PolarHBondContact O-N 3.34Å; M63-Q71 HydrophobicContact CE-CB 4.37Å; M63-Q71 HydrophobicContact CE-CG 4.1Å; M63-Q71 HydrophobicContact CG-CG 4.29Å; M63-Q71 HydrophobicContact SD-CB 4.46Å; M63-Q71 HydrophobicContact SD-CG 3.98Å; M63-R110 HydrophobicContact CE-CB 4.29Å; M63-F111 HydrophobicContact CE-CE1 4.01Å; M63-F111 HydrophobicContact SD-CE1 3.47Å; M63-F111 WeakPolarHBondContact SD-CE1 3.49Å; M63-F111 HydrophobicContact SD-CZ 3.85Å
64D98.7Very high98.7Very high95 Ų9542.5 Ų42.551%0.50821%0.214SC..Hα-helixtrans-62.2-42177.9-68.9-16.6000111.3I60 E62 K66 G67 R110I60-D64 WeakPolarHBondContact O-CB 3.21Å; I60-D64 PolarHBondContact O-N 3.39Å; E62-D64 VanDerWaalsContact C-N 3.34Å; E62-D64 PolarHBondContact O-N 3.16Å; D64-K66 VanDerWaalsContact C-N 3.3Å; D64-K66 PolarHBondContact O-N 3.3Å; D64-G67 PolarHBondContact O-N 3.37Å; D64-R110 IonicContact OD1-CZ 2.67Å; D64-R110 IonicContact OD1-NH1 2.86Å; D64-R110 PolarHBondContact OD1-NH1 3.43Å; D64-R110 IonicContact OD1-NH2 3.03Å; D64-R110 PolarHBondContact OD1-NH2 3.49Å; D64-R110 IonicContact OD2-NH1 3.01Å
65Q98.4Very high98.7Very high127 Ų12742.3 Ų42.359%0.59321%0.214SC*.Hα-helixtrans-64.7-33.3176.3-70.8169.113.900113R61 E62 M63R61-Q65 VanDerWaalsContact O-CG 3.29Å; R61-Q65 WeakPolarHBondContact O-CG 3.41Å; R61-Q65 PolarHBondContact O-N 2.86Å; E62-Q65 PolarHBondContact O-N 3.02Å; M63-Q65 VanDerWaalsContact C-N 3.34Å; M63-Q65 PolarHBondContact O-N 3.21Å
66K97.6Very high98.7Very high74 Ų7440.3 Ų40.332%0.32220%0.203SC..Hα-helixtrans-93.8-3.3-179.2-60.8-53.5-169.8-175.70113.9E62 M63 D64 V68 E300 P301E62-K66 WeakPolarHBondContact O-CG 3.27Å; E62-K66 PolarHBondContact O-N 3.46Å; M63-K66 CarbonylContact O-C 3.16Å; M63-K66 PolarHBondContact O-N 2.99Å; D64-K66 VanDerWaalsContact C-N 3.3Å; D64-K66 PolarHBondContact O-N 3.3Å; K66-V68 VanDerWaalsContact C-N 3.29Å; K66-V68 HydrophobicContact CB-CG2 4.16Å; K66-V68 PolarHBondContact O-N 3.32Å; K66-E300 IonicContact NZ-OE1 2.86Å; K66-E300 PolarHBondContact NZ-OE1 3.39Å; K66-E300 IonicContact NZ-OE2 3.24Å; K66-E300 PolarHBondContact NZ-OE2 2.75Å; K66-P301 HydrophobicContact CB-CG 4.2Å; K66-P301 HydrophobicContact CG-CG 4.39Å
67G98.1Very high98.7Very high44 Ų4439.2 Ų39.245%0.45420%0.196SC..THydrogen-bonded Turntrans67.925.2-176.400000114M63 D64M63-G67 PolarHBondContact O-N 2.84Å; D64-G67 PolarHBondContact O-N 3.37Å
68V98.8Very high98.6Very high3 Ų333.2 Ų33.22%0.01817%0.169CC..  trans-80.8118.8173.7-179.60000108.8D4 M63 K66 Q71 R110 P301D4-V68 HydrophobicContact CB-CG1 4.09Å; M63-V68 HydrophobicContact CB-CB 4.09Å; M63-V68 HydrophobicContact CE-CG1 4.25Å; M63-V68 HydrophobicContact CG-CB 4.18Å; M63-V68 HydrophobicContact CG-CG1 4.32Å; M63-V68 PolarHBondContact O-N 3.34Å; K66-V68 VanDerWaalsContact C-N 3.29Å; K66-V68 HydrophobicContact CB-CG2 4.16Å; K66-V68 PolarHBondContact O-N 3.32Å; V68-Q71 HydrophobicContact CG1-CG 4.08Å; V68-R110 PolarHBondContact O-NH2 2.94Å; V68-R110 VanDerWaalsContact O-NH2 3.15Å; V68-P301 HydrophobicContact CG2-CB 3.54Å; V68-P301 HydrophobicContact CG2-CG 3.92Å
69T98.7Very high98.6Very high37 Ų3731.8 Ų31.823%0.22716%0.16CC..  trans-77.4-50.3-178.1-44.80000110.4M1 K2 R110M1-T69 VanDerWaalsContact CA-OG1 3.28Å; M1-T69 WeakPolarHBondContact CA-OG1 2.92Å; M1-T69 HydrophobicContact CE-CG2 4.46Å; M1-T69 HydrophobicContact CG-CG2 4.07Å; K2-T69 PolarHBondContact N-OG1 2.63Å; K2-T69 WeakPolarHBondContact O-CA 3.36Å; K2-T69 VanDerWaalsContact O-CB 3.23Å; K2-T69 WeakPolarHBondContact O-CB 3.31Å; K2-T69 PolarHBondContact O-N 3.37Å; K2-T69 PolarHBondContact O-OG1 2.79Å; T69-R110 PolarHBondContact O-NE 3.3Å
70V98.8Very high98.6Very high0 Ų031.9 Ų31.90%016%0.16CC..EExtended strand (participates in β ladder)trans-134.9138.9-174.9-173.70000110.4M1 K2 I3 D4 R110 V112 F335M1-V70 HydrophobicContact CE-CG2 4.1Å; K2-V70 PolarHBondContact O-N 3.45Å; I3-V70 WeakPolarHBondContact CA-O 3.49Å; I3-V70 HydrophobicContact CG1-CB 4.25Å; I3-V70 HydrophobicContact CG2-CB 4.32Å; D4-V70 PolarHBondContact N-O 3.27Å; V70-R110 CarbonylContact C-O 3.52Å; V70-R110 WeakPolarHBondContact CA-O 3.45Å; V70-V112 HydrophobicContact CG1-CG1 4.47Å; V70-F335 HydrophobicContact CB-CD1 4.44Å; V70-F335 HydrophobicContact CG1-CD1 4.18Å; V70-F335 HydrophobicContact CG1-CE1 3.82Å; V70-F335 HydrophobicContact CG1-CZ 4.21Å; V70-F335 HydrophobicContact CG2-CB 3.78Å; V70-F335 HydrophobicContact CG2-CD1 3.35Å; V70-F335 HydrophobicContact CG2-CD2 4.05Å; V70-F335 HydrophobicContact CG2-CE1 3.83Å; V70-F335 HydrophobicContact CG2-CE2 4.45Å; V70-F335 HydrophobicContact CG2-CG 3.45Å; V70-F335 VanDerWaalsContact CG2-CG 3.45Å; V70-F335 HydrophobicContact CG2-CZ 4.33Å
71Q98.9Very high98.6Very high3 Ų331.4 Ų31.41%0.01416%0.158CC..EExtended strand (participates in β ladder)trans-109133.9163.8-78.7-175.1-24.500110.2D4 R59 M63 V68 L73 R110 F111 V112 Y292D4-Q71 HydrophobicContact CB-CG 4.08Å; R59-Q71 VanDerWaalsContact NE-OE1 3.11Å; M63-Q71 HydrophobicContact CE-CB 4.37Å; M63-Q71 HydrophobicContact CE-CG 4.1Å; M63-Q71 HydrophobicContact CG-CG 4.29Å; M63-Q71 HydrophobicContact SD-CB 4.46Å; M63-Q71 HydrophobicContact SD-CG 3.98Å; V68-Q71 HydrophobicContact CG1-CG 4.08Å; Q71-L73 HydrophobicContact CB-CD2 4.06Å; Q71-L73 PolarHBondContact O-N 3.34Å; Q71-R110 PolarHBondContact N-O 3.39Å; Q71-F111 HydrophobicContact CB-CD1 3.91Å; Q71-F111 HydrophobicContact CB-CE1 4Å; Q71-F111 WeakPolarHBondContact O-CA 3.35Å; Q71-V112 PolarHBondContact O-N 2.9Å; Q71-Y292 VanDerWaalsContact NE2-CD1 3.3Å
72A98.9Very high98.6Very high0 Ų023.7 Ų23.70%013%0.129CC..EExtended strand (participates in β ladder)trans-79.1115.1159.900000108.1D4 I5 S7 V112 L114D4-A72 PolarHBondContact O-N 3.46Å; I5-A72 HydrophobicContact CD1-CB 3.88Å; S7-A72 PolarHBondContact OG-O 2.76Å; A72-V112 WeakPolarHBondContact CA-O 3.42Å; A72-V112 HydrophobicContact CB-CG2 3.81Å; A72-L114 HydrophobicContact CB-CD1 4.16Å; A72-L114 HydrophobicContact CB-CG 4.34Å
73L98.9Very high98.6Very high0 Ų025.9 Ų25.90%014%0.135CC..EExtended strand (participates in β ladder)trans-89.4132.7-178.8-57.9-178.3000109.3I9 Q71 L100 T103 F111 V112 L114I9-L73 HydrophobicContact CB-CD2 4.49Å; I9-L73 HydrophobicContact CD1-CD1 4.23Å; I9-L73 HydrophobicContact CD1-CD2 4.48Å; I9-L73 HydrophobicContact CG2-CB 3.98Å; I9-L73 HydrophobicContact CG2-CD1 4.41Å; I9-L73 HydrophobicContact CG2-CD2 4.46Å; Q71-L73 HydrophobicContact CB-CD2 4.06Å; Q71-L73 PolarHBondContact O-N 3.34Å; L73-L100 HydrophobicContact CB-CD1 3.48Å; L73-L100 VanDerWaalsContact CB-CD1 3.48Å; L73-L100 HydrophobicContact CB-CG 4.32Å; L73-L100 HydrophobicContact CD1-CD1 4.42Å; L73-T103 HydrophobicContact CD1-CG2 3.6Å; L73-F111 HydrophobicContact CD1-CB 3.81Å; L73-F111 HydrophobicContact CD1-CD1 3.71Å; L73-F111 HydrophobicContact CD1-CD2 4.07Å; L73-F111 HydrophobicContact CD1-CE1 4.29Å; L73-F111 HydrophobicContact CD1-CG 3.6Å; L73-F111 HydrophobicContact CD2-CD1 3.72Å; L73-F111 HydrophobicContact CD2-CE1 3.91Å; L73-F111 HydrophobicContact CD2-CG 4.47Å; L73-F111 HydrophobicContact CG-CB 4.14Å; L73-F111 HydrophobicContact CG-CD1 3.7Å; L73-F111 HydrophobicContact CG-CE1 4.36Å; L73-F111 HydrophobicContact CG-CG 4.03Å; L73-V112 PolarHBondContact N-O 3.27Å; L73-L114 PolarHBondContact O-N 2.93Å
74S98.9Very high98.6Very high1 Ų126.1 Ų26.11%0.00714%0.138CC..EExtended strand (participates in β ladder)trans-136.2159.8172.966.90000109.7S7 H8 I9 Q142S7-S74 PolarHBondContact O-N 3.25Å; S7-S74 PolarHBondContact O-OG 2.97Å; H8-S74 CarbonylContact C-O 3.48Å; H8-S74 VanDerWaalsContact CA-O 3.27Å; H8-S74 WeakPolarHBondContact CA-O 3.32Å; H8-S74 PolarHBondContact ND1-OG 3.08Å; I9-S74 PolarHBondContact N-O 3.18Å; S74-Q142 PolarHBondContact OG-OE1 2.81Å; S74-Q142 VanDerWaalsContact OG-OE1 3.11Å
75T98.9Very high98.6Very high9 Ų927.8 Ų27.86%0.05514%0.14CC..  trans-70.3161.1171.8-1610000111.3H8 M79 L96 T116 Q142H8-T75 PolarHBondContact ND1-O 3.42Å; H8-T75 VanDerWaalsContact ND1-O 3.15Å; T75-M79 HydrophobicContact CG2-CB 4.1Å; T75-L96 HydrophobicContact CG2-CD1 4.41Å; T75-T116 HydrophobicContact CG2-CG2 4.09Å; T75-Q142 PolarHBondContact O-NE2 2.88Å
76V98.6Very high98.6Very high3 Ų324.3 Ų24.32%0.01813%0.129CC..  trans-69.2133.4173.6-175.40000109.1H8 L10 V78 M79 F294H8-V76 HydrophobicContact CB-CG2 3.99Å; L10-V76 HydrophobicContact CD1-CG2 3.92Å; L10-V76 HydrophobicContact CD2-CB 4.19Å; L10-V76 HydrophobicContact CD2-CG2 3.78Å; L10-V76 HydrophobicContact CG-CG2 3.65Å; V76-V78 HydrophobicContact CB-CG1 4.36Å; V76-V78 HydrophobicContact CG1-CG1 3.91Å; V76-V78 PolarHBondContact O-N 3.27Å; V76-M79 VanDerWaalsContact O-CB 3.26Å; V76-M79 WeakPolarHBondContact O-CB 3.2Å; V76-M79 WeakPolarHBondContact O-CG 3.21Å; V76-M79 PolarHBondContact O-N 2.85Å; V76-F294 HydrophobicContact CB-CZ 4.43Å; V76-F294 HydrophobicContact CG1-CE2 4.11Å; V76-F294 HydrophobicContact CG1-CZ 3.81Å; V76-F294 HydrophobicContact CG2-CE2 4.37Å; V76-F294 HydrophobicContact CG2-CZ 3.73Å
77P98.3Very high98.7Very high5 Ų526.5 Ų26.53%0.03214%0.14CC..G310 helixtrans-55-28.2-173.1-29.133.6000116.1M79 F80 H174 W176P77-M79 PolarHBondContact O-N 3.45Å; P77-F80 HydrophobicContact CB-CD2 4.14Å; P77-F80 HydrophobicContact CB-CE2 3.64Å; P77-F80 HydrophobicContact CB-CZ 3.95Å; P77-F80 HydrophobicContact CG-CE2 4.46Å; P77-F80 HydrophobicContact CG-CZ 4.37Å; P77-F80 WeakPolarHBondContact O-CB 3.32Å; P77-F80 WeakPolarHBondContact O-CD2 3.37Å; P77-F80 WeakPolarHBondContact O-CG 3.36Å; P77-F80 PolarHBondContact O-N 3.37Å; P77-H174 HydrophobicContact CG-CB 4.47Å; P77-H174 VanDerWaalsContact CG-CE1 3.5Å; P77-H174 WeakPolarHBondContact CG-CE1 3.33Å; P77-H174 VanDerWaalsContact CG-ND1 3.28Å; P77-H174 WeakPolarHBondContact CG-ND1 3.42Å; P77-W176 HydrophobicContact CB-CB 3.85Å; P77-W176 HydrophobicContact CB-CD2 3.75Å; P77-W176 HydrophobicContact CB-CE3 3.72Å; P77-W176 HydrophobicContact CB-CG 3.77Å
78V97.9Very high98.7Very high5 Ų525.8 Ų25.83%0.0313%0.126CC..G310 helixtrans-57.5-20.1173.573.90000113.4V27 K41 F46 V76 W176V27-V78 HydrophobicContact CG2-CB 4.48Å; V27-V78 HydrophobicContact CG2-CG1 4.11Å; V27-V78 HydrophobicContact CG2-CG2 3.59Å; K41-V78 HydrophobicContact CD-CG2 4.42Å; F46-V78 HydrophobicContact CE1-CB 4.19Å; F46-V78 HydrophobicContact CE1-CG1 4.22Å; F46-V78 HydrophobicContact CE1-CG2 4.32Å; F46-V78 HydrophobicContact CZ-CB 4.44Å; F46-V78 HydrophobicContact CZ-CG2 4.43Å; V76-V78 HydrophobicContact CB-CG1 4.36Å; V76-V78 HydrophobicContact CG1-CG1 3.91Å; V76-V78 PolarHBondContact O-N 3.27Å; V78-W176 HydrophobicContact CB-CH2 3.74Å; V78-W176 HydrophobicContact CB-CZ2 3.58Å; V78-W176 HydrophobicContact CB-CZ3 4.46Å; V78-W176 HydrophobicContact CG2-CH2 3.92Å; V78-W176 HydrophobicContact CG2-CZ2 3.55Å
79M98.7Very high98.7Very high4 Ų425.7 Ų25.72%0.0213%0.125CC..G310 helixtrans-85.5-3.2178.6-57.3-59.7-71.900113.9L10 W14 V27 T75 V76 P77 S81 L92 L96L10-M79 HydrophobicContact CD2-CG 3.85Å; L10-M79 HydrophobicContact CD2-SD 4.47Å; W14-M79 HydrophobicContact CH2-CE 4.48Å; W14-M79 HydrophobicContact CZ2-CE 4.05Å; W14-M79 HydrophobicContact CZ2-SD 4.46Å; V27-M79 HydrophobicContact CB-SD 3.9Å; V27-M79 HydrophobicContact CG1-SD 4.32Å; T75-M79 HydrophobicContact CG2-CB 4.1Å; V76-M79 VanDerWaalsContact O-CB 3.26Å; V76-M79 WeakPolarHBondContact O-CB 3.2Å; V76-M79 WeakPolarHBondContact O-CG 3.21Å; V76-M79 PolarHBondContact O-N 2.85Å; P77-M79 PolarHBondContact O-N 3.45Å; M79-S81 VanDerWaalsContact C-N 3.29Å; M79-S81 PolarHBondContact O-N 3.46Å; M79-S81 PolarHBondContact O-OG 2.9Å; M79-L92 HydrophobicContact CE-CD1 4.29Å; M79-L92 HydrophobicContact CE-CD2 4.37Å; M79-L96 HydrophobicContact CB-CD1 3.98Å; M79-L96 HydrophobicContact CE-CD1 4.32Å; M79-L96 HydrophobicContact CE-CD2 4.28Å
80F98.8Very high98.7Very high2 Ų224.7 Ų24.71%0.00912%0.119CC..  trans-58.6-39.9178.5-70.6-25.4000112.9P77 Y82 T89 Q142 H174 W176P77-F80 HydrophobicContact CB-CD2 4.14Å; P77-F80 HydrophobicContact CB-CE2 3.64Å; P77-F80 HydrophobicContact CB-CZ 3.95Å; P77-F80 HydrophobicContact CG-CE2 4.46Å; P77-F80 HydrophobicContact CG-CZ 4.37Å; P77-F80 WeakPolarHBondContact O-CB 3.32Å; P77-F80 WeakPolarHBondContact O-CD2 3.37Å; P77-F80 WeakPolarHBondContact O-CG 3.36Å; P77-F80 PolarHBondContact O-N 3.37Å; F80-Y82 VanDerWaalsContact C-N 3.27Å; F80-Y82 HydrophobicContact CB-CD1 4.03Å; F80-Y82 HydrophobicContact CB-CD2 4.35Å; F80-Y82 HydrophobicContact CB-CE1 3.7Å; F80-Y82 HydrophobicContact CB-CE2 4.1Å; F80-Y82 HydrophobicContact CB-CG 4.34Å; F80-Y82 HydrophobicContact CD2-CE2 4.23Å; F80-Y82 HydrophobicContact CG-CE1 4.25Å; F80-Y82 HydrophobicContact CG-CE2 4.27Å; F80-Y82 AromaticContact CG-CZ 3.88Å; F80-Y82 VanDerWaalsContact O-CD1 3.25Å; F80-Y82 WeakPolarHBondContact O-CD1 3.33Å; F80-Y82 PolarHBondContact O-N 2.77Å; F80-Y82 VanDerWaalsContact O-N 3.16Å; F80-T89 WeakPolarHBondContact O-CG2 3.48Å; F80-Q142 HydrophobicContact CE1-CG 4.14Å; F80-Q142 HydrophobicContact CZ-CG 3.91Å; F80-H174 HydrophobicContact CZ-CB 4.45Å; F80-W176 HydrophobicContact CD2-CB 4.09Å; F80-W176 HydrophobicContact CD2-CG 4.2Å; F80-W176 HydrophobicContact CE2-CB 4.02Å
81S98.6Very high98.7Very high8 Ų827 Ų276%0.05613%0.131CC..  trans52.138.8172.8-58.30000114.9W26 M79 W83 A84 T89W26-S81 WeakPolarHBondContact CZ3-OG 3.37Å; M79-S81 VanDerWaalsContact C-N 3.29Å; M79-S81 PolarHBondContact O-N 3.46Å; M79-S81 PolarHBondContact O-OG 2.9Å; S81-W83 PolarHBondContact O-N 3.39Å; S81-A84 WeakPolarHBondContact O-CB 3.34Å; S81-A84 PolarHBondContact O-N 3.11Å; S81-A84 VanDerWaalsContact O-N 3.16Å; S81-T89 PolarHBondContact O-OG1 3.27Å
82Y98.8Very high98.7Very high14 Ų1427 Ų276%0.05513%0.131CC..THydrogen-bonded Turntrans-66.6-16.1179-59.3-21.3000114F80 A84 L117 M119 Q120 I143 G144 V147 N148F80-Y82 VanDerWaalsContact C-N 3.27Å; F80-Y82 HydrophobicContact CB-CD1 4.03Å; F80-Y82 HydrophobicContact CB-CD2 4.35Å; F80-Y82 HydrophobicContact CB-CE1 3.7Å; F80-Y82 HydrophobicContact CB-CE2 4.1Å; F80-Y82 HydrophobicContact CB-CG 4.34Å; F80-Y82 HydrophobicContact CD2-CE2 4.23Å; F80-Y82 HydrophobicContact CG-CE1 4.25Å; F80-Y82 HydrophobicContact CG-CE2 4.27Å; F80-Y82 AromaticContact CG-CZ 3.88Å; F80-Y82 VanDerWaalsContact O-CD1 3.25Å; F80-Y82 WeakPolarHBondContact O-CD1 3.33Å; F80-Y82 PolarHBondContact O-N 2.77Å; F80-Y82 VanDerWaalsContact O-N 3.16Å; Y82-A84 VanDerWaalsContact C-N 3.32Å; Y82-L117 VanDerWaalsContact CE1-O 3.23Å; Y82-L117 WeakPolarHBondContact CE1-O 3.5Å; Y82-M119 HydrophobicContact CD1-CB 4.13Å; Y82-M119 HydrophobicContact CE1-CB 3.76Å; Y82-M119 HydrophobicContact CE1-CG 3.82Å; Y82-M119 HydrophobicContact CE2-CB 4.14Å; Y82-M119 HydrophobicContact CE2-CG 4.29Å; Y82-M119 WeakPolarHBondContact OH-CG 3.37Å; Y82-Q120 WeakPolarHBondContact O-CB 3.49Å; Y82-Q120 WeakPolarHBondContact O-CG 3.39Å; Y82-I143 WeakPolarHBondContact OH-CA 3.38Å; Y82-G144 PolarHBondContact OH-N 2.93Å; Y82-V147 HydrophobicContact CD2-CB 4.31Å; Y82-V147 HydrophobicContact CD2-CG1 4.1Å; Y82-V147 HydrophobicContact CD2-CG2 4.15Å; Y82-V147 HydrophobicContact CE2-CG2 4.1Å; Y82-V147 HydrophobicContact CG-CG1 4.21Å; Y82-N148 PolarHBondContact O-ND2 2.83Å; Y82-N148 PolarHBondContact O-OD1 3.17Å
83W98.6Very high98.7Very high106 Ų10627 Ų2740%0.40213%0.131SC..THydrogen-bonded Turntrans-76.3-17175.360.3-95.6000113.4Y23 E24 G25 W26 S81Y23-W83 HydrophobicContact CD2-CH2 4.21Å; Y23-W83 AromaticContact CD2-CZ3 3.91Å; Y23-W83 HydrophobicContact CD2-CZ3 3.91Å; Y23-W83 AromaticContact CE2-CH2 3.91Å; Y23-W83 HydrophobicContact CE2-CH2 3.91Å; Y23-W83 AromaticContact CE2-CZ3 3.6Å; Y23-W83 HydrophobicContact CE2-CZ3 3.6Å; E24-W83 VanDerWaalsContact O-CH2 3.23Å; E24-W83 WeakPolarHBondContact O-CH2 3.4Å; G25-W83 VanDerWaalsContact C-CZ2 3.44Å; G25-W83 VanDerWaalsContact O-CZ2 3.31Å; G25-W83 WeakPolarHBondContact O-CZ2 3.22Å; W26-W83 HydrophobicContact CD2-CH2 4.12Å; W26-W83 HydrophobicContact CD2-CZ2 4.19Å; W26-W83 AromaticContact CE2-CH2 3.95Å; W26-W83 HydrophobicContact CE3-CZ2 4.36Å; W26-W83 HydrophobicContact CG-CH2 4.35Å; W26-W83 HydrophobicContact CZ2-CH2 4.42Å; S81-W83 PolarHBondContact O-N 3.39Å
84A98.8Very high98.7Very high9 Ų930.2 Ų30.27%0.07415%0.146CC..SBendtrans-87.4173.3-173.200000112.3Y23 W26 S81 Y82 Q120Y23-A84 HydrophobicContact CE2-CB 4.17Å; W26-A84 HydrophobicContact CH2-CB 3.46Å; W26-A84 VanDerWaalsContact CH2-CB 3.46Å; W26-A84 HydrophobicContact CZ2-CB 3.65Å; W26-A84 HydrophobicContact CZ3-CB 4.28Å; S81-A84 WeakPolarHBondContact O-CB 3.34Å; S81-A84 PolarHBondContact O-N 3.11Å; S81-A84 VanDerWaalsContact O-N 3.16Å; Y82-A84 VanDerWaalsContact C-N 3.32Å; A84-Q120 PolarHBondContact O-NE2 2.97Å
85K98.8Very high98.7Very high129 Ų12932 Ų3256%0.56116%0.155SC*.  trans-60.7136.6176.5-64.9179.5-175.5166.80109.8Y23 E87 D88 T89Y23-K85 HydrophobicContact CE1-CD 4.19Å; Y23-K85 HydrophobicContact CE1-CG 4.41Å; Y23-K85 PolarHBondContact OH-N 2.94Å; K85-E87 VanDerWaalsContact C-N 3.34Å; K85-E87 PolarHBondContact O-N 3.28Å; K85-D88 HydrophobicContact CB-CB 4.33Å; K85-D88 WeakPolarHBondContact CB-OD2 3.43Å; K85-D88 WeakPolarHBondContact CD-OD2 3.3Å; K85-D88 PolarHBondContact O-N 3.16Å; K85-T89 PolarHBondContact O-N 2.57Å; K85-T89 PolarHBondContact O-OG1 3.36Å
86P98.8Very high98.7Very high54 Ų5431.9 Ų31.935%0.35115%0.154SC..Hα-helixtrans-47.8-48-178-35.538.8000115.8D88 T89 L90 Q120 A121 L124P86-D88 PolarHBondContact O-N 3.04Å; P86-T89 PolarHBondContact O-N 3.06Å; P86-L90 WeakPolarHBondContact O-CB 3.45Å; P86-L90 PolarHBondContact O-N 2.87Å; P86-Q120 HydrophobicContact CG-CG 4.35Å; P86-A121 HydrophobicContact CB-CB 3.62Å; P86-A121 HydrophobicContact CG-CB 4.01Å; P86-L124 HydrophobicContact CB-CD1 3.89Å
87E98.8Very high98.8Very high121 Ų12131.8 Ų31.857%0.56515%0.154SC*.Hα-helixtrans-68.5-34-178.4-63.9-63.6168.900112.8K85 L90 N91K85-E87 VanDerWaalsContact C-N 3.34Å; K85-E87 PolarHBondContact O-N 3.28Å; E87-L90 PolarHBondContact O-N 3.19Å; E87-N91 VanDerWaalsContact O-CB 3.29Å; E87-N91 WeakPolarHBondContact O-CB 3.38Å; E87-N91 PolarHBondContact O-N 3.13Å
88D98.9Very high98.8Very high28 Ų2835.1 Ų35.115%0.1517%0.172CC..Hα-helixtrans-72.4-39.5177.3-61.4-27.2000110.5F21 Y23 W26 K85 P86 N91 L92F21-D88 HydrophobicContact CB-CB 4.36Å; F21-D88 HydrophobicContact CD1-CB 3.7Å; F21-D88 VanDerWaalsContact CD1-OD1 3.31Å; F21-D88 WeakPolarHBondContact CD1-OD1 3.24Å; F21-D88 HydrophobicContact CD2-CB 4.2Å; F21-D88 HydrophobicContact CE1-CB 3.92Å; F21-D88 HydrophobicContact CE2-CB 4.36Å; F21-D88 HydrophobicContact CG-CB 3.85Å; F21-D88 HydrophobicContact CZ-CB 4.24Å; F21-D88 WeakPolarHBondContact CZ-O 3.17Å; Y23-D88 WeakPolarHBondContact CE1-OD2 3.1Å; Y23-D88 VanDerWaalsContact CZ-OD2 3.3Å; Y23-D88 WeakPolarHBondContact OH-CB 3.43Å; Y23-D88 PolarHBondContact OH-OD2 3.19Å; W26-D88 HydrophobicContact CH2-CB 4.15Å; W26-D88 HydrophobicContact CZ2-CB 4.1Å; K85-D88 HydrophobicContact CB-CB 4.33Å; K85-D88 WeakPolarHBondContact CB-OD2 3.43Å; K85-D88 WeakPolarHBondContact CD-OD2 3.3Å; K85-D88 PolarHBondContact O-N 3.16Å; P86-D88 PolarHBondContact O-N 3.04Å; D88-N91 PolarHBondContact O-N 3.32Å; D88-L92 PolarHBondContact O-N 2.79Å
89T98.9Very high98.8Very high1 Ų137.2 Ų37.21%0.00618%0.183CC..Hα-helixtrans-63.7-44.8172.3-55.80000110.7F80 S81 K85 P86 N91 L92 C93 P118 Q120F80-T89 WeakPolarHBondContact O-CG2 3.48Å; S81-T89 PolarHBondContact O-OG1 3.27Å; K85-T89 PolarHBondContact O-N 2.57Å; K85-T89 PolarHBondContact O-OG1 3.36Å; P86-T89 PolarHBondContact O-N 3.06Å; T89-N91 VanDerWaalsContact C-N 3.3Å; T89-N91 PolarHBondContact O-N 3.11Å; T89-L92 PolarHBondContact O-N 3.5Å; T89-C93 WeakPolarHBondContact O-CB 3.46Å; T89-C93 PolarHBondContact O-N 2.92Å; T89-C93 PolarHBondContact O-SG 2.79Å; T89-P118 HydrophobicContact CG2-CB 3.84Å; T89-Q120 PolarHBondContact OG1-NE2 3.48Å
90L98.9Very high98.9Very high17 Ų1737.3 Ų37.39%0.08918%0.183CC..Hα-helixtrans-57.4-45.3174.4174.561.1000111P86 E87 L92 C93 Q94 P118 L124 E128P86-L90 WeakPolarHBondContact O-CB 3.45Å; P86-L90 PolarHBondContact O-N 2.87Å; E87-L90 PolarHBondContact O-N 3.19Å; L90-L92 VanDerWaalsContact C-N 3.32Å; L90-L92 PolarHBondContact O-N 3.09Å; L90-C93 WeakPolarHBondContact O-CB 3.48Å; L90-C93 PolarHBondContact O-N 2.86Å; L90-Q94 HydrophobicContact CD1-CG 4.19Å; L90-Q94 WeakPolarHBondContact O-CG 3.14Å; L90-Q94 PolarHBondContact O-N 3.18Å; L90-P118 HydrophobicContact CB-CB 4.27Å; L90-P118 HydrophobicContact CB-CG 4.03Å; L90-P118 HydrophobicContact CD1-CG 4.04Å; L90-L124 HydrophobicContact CB-CD1 4.45Å; L90-L124 HydrophobicContact CD2-CB 4.36Å; L90-L124 HydrophobicContact CD2-CD1 4.18Å; L90-L124 HydrophobicContact CD2-CD2 4.06Å; L90-L124 HydrophobicContact CD2-CG 4.43Å; L90-E128 HydrophobicContact CD1-CB 3.77Å; L90-E128 HydrophobicContact CD1-CG 4.15Å
91N98.9Very high98.9Very high48 Ų4838.1 Ų38.126%0.25719%0.19SC..Hα-helixtrans-61.7-40.2178.7-168.1-100.3000112.5R20 F21 E87 D88 T89 L95R20-N91 PolarHBondContact NE-OD1 3.32Å; R20-N91 PolarHBondContact NH2-OD1 2.85Å; F21-N91 HydrophobicContact CE1-CB 4.04Å; F21-N91 HydrophobicContact CZ-CB 4.15Å; E87-N91 VanDerWaalsContact O-CB 3.29Å; E87-N91 WeakPolarHBondContact O-CB 3.38Å; E87-N91 PolarHBondContact O-N 3.13Å; D88-N91 PolarHBondContact O-N 3.32Å; T89-N91 VanDerWaalsContact C-N 3.3Å; T89-N91 PolarHBondContact O-N 3.11Å; N91-L95 PolarHBondContact O-N 3.03Å
92L98.9Very high98.9Very high3 Ų341.9 Ų41.92%0.01621%0.213CC..Hα-helixtrans-66.2-45.6172.517961.4000111.5L17 W26 M79 D88 T89 L90 Q94 L95 L96L17-L92 HydrophobicContact CD1-CD1 3.9Å; L17-L92 HydrophobicContact CD1-CD2 4.24Å; L17-L92 HydrophobicContact CD2-CD1 4.37Å; W26-L92 HydrophobicContact CE3-CD2 3.97Å; W26-L92 HydrophobicContact CZ3-CD2 3.57Å; M79-L92 HydrophobicContact CE-CD1 4.29Å; M79-L92 HydrophobicContact CE-CD2 4.37Å; D88-L92 PolarHBondContact O-N 2.79Å; T89-L92 PolarHBondContact O-N 3.5Å; L90-L92 VanDerWaalsContact C-N 3.32Å; L90-L92 PolarHBondContact O-N 3.09Å; L92-Q94 VanDerWaalsContact C-N 3.32Å; L92-Q94 PolarHBondContact O-N 2.94Å; L92-L95 WeakPolarHBondContact O-CB 3.28Å; L92-L95 PolarHBondContact O-N 3.1Å; L92-L95 VanDerWaalsContact O-N 3.16Å; L92-L96 HydrophobicContact CD1-CD1 4Å; L92-L96 HydrophobicContact CD1-CD2 4.41Å; L92-L96 HydrophobicContact CD1-CG 3.99Å; L92-L96 HydrophobicContact CD2-CD1 4.39Å; L92-L96 HydrophobicContact CG-CD1 3.83Å; L92-L96 HydrophobicContact CG-CG 4.25Å; L92-L96 WeakPolarHBondContact O-CG 3.32Å; L92-L96 PolarHBondContact O-N 2.98Å
93C98.9Very high98.9Very high1 Ų141.8 Ų41.81%0.00721%0.213CC..Hα-helixtrans-55.9-47.8177.6-69.20000111T89 L90 L95 L96 N97 T116 E128T89-C93 WeakPolarHBondContact O-CB 3.46Å; T89-C93 PolarHBondContact O-N 2.92Å; T89-C93 PolarHBondContact O-SG 2.79Å; L90-C93 WeakPolarHBondContact O-CB 3.48Å; L90-C93 PolarHBondContact O-N 2.86Å; C93-L95 VanDerWaalsContact C-N 3.34Å; C93-L95 PolarHBondContact O-N 2.99Å; C93-L96 PolarHBondContact O-N 3.19Å; C93-N97 WeakPolarHBondContact O-CB 3.39Å; C93-N97 PolarHBondContact O-N 2.93Å; C93-N97 PolarHBondContact O-ND2 2.99Å; C93-N97 VanDerWaalsContact O-ND2 3.15Å; C93-T116 HydrophobicContact CB-CG2 4.06Å; C93-E128 HydrophobicContact CB-CG 4.43Å
94Q98.9Very high98.9Very high66 Ų6638 Ų3831%0.30820%0.202SC..Hα-helixtrans-59.3-42.9177.4-73.6171.8-14.900112.3L90 L92 N98 E128L90-Q94 HydrophobicContact CD1-CG 4.19Å; L90-Q94 WeakPolarHBondContact O-CG 3.14Å; L90-Q94 PolarHBondContact O-N 3.18Å; L92-Q94 VanDerWaalsContact C-N 3.32Å; L92-Q94 PolarHBondContact O-N 2.94Å; Q94-N98 VanDerWaalsContact O-CB 3.29Å; Q94-N98 WeakPolarHBondContact O-CB 3.33Å; Q94-N98 PolarHBondContact O-N 3.02Å; Q94-N98 PolarHBondContact O-ND2 2.81Å; Q94-N98 PolarHBondContact O-OD1 3.15Å; Q94-E128 WeakPolarHBondContact CG-OE2 3.38Å
95L98.9Very high98.9Very high39 Ų3941.1 Ų41.120%0.20423%0.228CC..Hα-helixtrans-59.8-50.1175.5-179.1152.7000111.3P11 W14 P15 R20 N91 L92 C93 N98 D99P11-L95 HydrophobicContact CG-CD2 4.33Å; W14-L95 HydrophobicContact CB-CD2 4.19Å; P15-L95 HydrophobicContact CG-CD1 4.38Å; R20-L95 VanDerWaalsContact NH1-CD1 3.34Å; N91-L95 PolarHBondContact O-N 3.03Å; L92-L95 WeakPolarHBondContact O-CB 3.28Å; L92-L95 PolarHBondContact O-N 3.1Å; L92-L95 VanDerWaalsContact O-N 3.16Å; C93-L95 VanDerWaalsContact C-N 3.34Å; C93-L95 PolarHBondContact O-N 2.99Å; L95-N98 PolarHBondContact O-N 2.96Å; L95-D99 PolarHBondContact O-N 3.46Å; L95-D99 VanDerWaalsContact O-N 3.15Å
96L98.9Very high98.9Very high6 Ų638.4 Ų38.43%0.03123%0.225CC..Hα-helixtrans-66.6-42.3-177.8-64.4174.6000111.7P11 T75 M79 L92 C93 N98 D99 L100 T116P11-L96 HydrophobicContact CG-CD2 3.72Å; T75-L96 HydrophobicContact CG2-CD1 4.41Å; M79-L96 HydrophobicContact CB-CD1 3.98Å; M79-L96 HydrophobicContact CE-CD1 4.32Å; M79-L96 HydrophobicContact CE-CD2 4.28Å; L92-L96 HydrophobicContact CD1-CD1 4Å; L92-L96 HydrophobicContact CD1-CD2 4.41Å; L92-L96 HydrophobicContact CD1-CG 3.99Å; L92-L96 HydrophobicContact CD2-CD1 4.39Å; L92-L96 HydrophobicContact CG-CD1 3.83Å; L92-L96 HydrophobicContact CG-CG 4.25Å; L92-L96 WeakPolarHBondContact O-CG 3.32Å; L92-L96 PolarHBondContact O-N 2.98Å; C93-L96 PolarHBondContact O-N 3.19Å; L96-N98 VanDerWaalsContact C-N 3.33Å; L96-N98 PolarHBondContact O-N 2.95Å; L96-D99 PolarHBondContact O-N 2.88Å; L96-L100 WeakPolarHBondContact O-CB 3.43Å; L96-L100 PolarHBondContact O-N 2.85Å; L96-T116 HydrophobicContact CB-CG2 4.19Å; L96-T116 HydrophobicContact CD1-CG2 4.07Å
97N98.9Very high98.9Very high1 Ų139.2 Ų39.21%0.00522%0.222CC..Hα-helixtrans-66.5-35.9179.7-67.3-21.9000111.4C93 L100 A101 G115 T116 E128 C132 L136 F138C93-N97 WeakPolarHBondContact O-CB 3.39Å; C93-N97 PolarHBondContact O-N 2.93Å; C93-N97 PolarHBondContact O-ND2 2.99Å; C93-N97 VanDerWaalsContact O-ND2 3.15Å; N97-L100 PolarHBondContact O-N 3.43Å; N97-A101 WeakPolarHBondContact O-CB 3.37Å; N97-A101 PolarHBondContact O-N 3.48Å; N97-G115 WeakPolarHBondContact OD1-CA 3.41Å; N97-T116 PolarHBondContact ND2-O 2.93Å; N97-T116 PolarHBondContact OD1-N 2.75Å; N97-E128 PolarHBondContact ND2-OE1 2.93Å; N97-C132 PolarHBondContact ND2-SG 2.8Å; N97-C132 VanDerWaalsContact ND2-SG 3.4Å; N97-L136 HydrophobicContact CB-CD1 3.78Å; N97-L136 WeakPolarHBondContact O-CD1 3.49Å; N97-F138 HydrophobicContact CB-CE2 4.14Å; N97-F138 WeakPolarHBondContact O-CZ 3.23Å
98N98.9Very high98.9Very high76 Ų7637.2 Ų37.241%0.40622%0.219SC..Hα-helixtrans-69.1-40.4176-69.3-11.5000112.5Q94 L95 L96 A101 T102 R131Q94-N98 VanDerWaalsContact O-CB 3.29Å; Q94-N98 WeakPolarHBondContact O-CB 3.33Å; Q94-N98 PolarHBondContact O-N 3.02Å; Q94-N98 PolarHBondContact O-ND2 2.81Å; Q94-N98 PolarHBondContact O-OD1 3.15Å; L95-N98 PolarHBondContact O-N 2.96Å; L96-N98 VanDerWaalsContact C-N 3.33Å; L96-N98 PolarHBondContact O-N 2.95Å; N98-A101 PolarHBondContact O-N 2.89Å; N98-T102 WeakPolarHBondContact O-CB 3.36Å; N98-T102 PolarHBondContact O-N 3.39Å; N98-T102 PolarHBondContact O-OG1 2.89Å; N98-R131 PolarHBondContact OD1-NH2 2.84Å
99D98.9Very high98.8Very high49 Ų4942.8 Ų42.826%0.26224%0.238SC..Hα-helixtrans-62.8-44.5173.4178.980.8000111.4P11 L95 L96 A101 T102 T103P11-D99 WeakPolarHBondContact CA-OD2 3.48Å; P11-D99 HydrophobicContact CB-CB 4.34Å; P11-D99 HydrophobicContact CG-CB 3.95Å; P11-D99 WeakPolarHBondContact CG-OD2 3.2Å; L95-D99 PolarHBondContact O-N 3.46Å; L95-D99 VanDerWaalsContact O-N 3.15Å; L96-D99 PolarHBondContact O-N 2.88Å; D99-A101 VanDerWaalsContact C-N 3.34Å; D99-A101 PolarHBondContact O-N 3.22Å; D99-T102 WeakPolarHBondContact O-CB 3.27Å; D99-T102 PolarHBondContact O-N 2.97Å; D99-T103 PolarHBondContact O-N 3.37Å; D99-T103 PolarHBondContact O-OG1 2.71Å
100L98.9Very high98.8Very high6 Ų645.1 Ų45.13%0.03125%0.247CC..Hα-helixtrans-60.1-44.5176.5-159.670000111.5I9 L73 L96 N97 T103 V104 L114 F138I9-L100 HydrophobicContact CG2-CD1 3.45Å; I9-L100 VanDerWaalsContact CG2-CD1 3.45Å; L73-L100 HydrophobicContact CB-CD1 3.48Å; L73-L100 VanDerWaalsContact CB-CD1 3.48Å; L73-L100 HydrophobicContact CB-CG 4.32Å; L73-L100 HydrophobicContact CD1-CD1 4.42Å; L96-L100 WeakPolarHBondContact O-CB 3.43Å; L96-L100 PolarHBondContact O-N 2.85Å; N97-L100 PolarHBondContact O-N 3.43Å; L100-T103 PolarHBondContact O-N 3.22Å; L100-V104 WeakPolarHBondContact O-CG2 3.32Å; L100-V104 PolarHBondContact O-N 2.66Å; L100-L114 WeakPolarHBondContact CD2-O 3.48Å; L100-F138 HydrophobicContact CB-CZ 3.93Å; L100-F138 HydrophobicContact CD2-CE2 4.04Å; L100-F138 HydrophobicContact CD2-CZ 3.97Å; L100-F138 HydrophobicContact CG-CZ 4.15Å
101A98.9Very high98.8Very high18 Ų1844.3 Ų44.315%0.14924%0.243CC..Hα-helixtrans-65.1-37.7176.500000112.4N97 N98 D99 T103 V104 A105 L136 F138N97-A101 WeakPolarHBondContact O-CB 3.37Å; N97-A101 PolarHBondContact O-N 3.48Å; N98-A101 PolarHBondContact O-N 2.89Å; D99-A101 VanDerWaalsContact C-N 3.34Å; D99-A101 PolarHBondContact O-N 3.22Å; A101-T103 VanDerWaalsContact C-N 3.34Å; A101-V104 PolarHBondContact O-N 3.3Å; A101-A105 VanDerWaalsContact O-CB 3.28Å; A101-A105 WeakPolarHBondContact O-CB 3.3Å; A101-A105 PolarHBondContact O-N 3.24Å; A101-L136 HydrophobicContact CB-CB 4.13Å; A101-L136 HydrophobicContact CB-CD1 4.1Å; A101-L136 HydrophobicContact CB-CD2 3.76Å; A101-L136 HydrophobicContact CB-CG 4.22Å; A101-F138 HydrophobicContact CB-CE1 3.9Å; A101-F138 HydrophobicContact CB-CZ 3.81Å
102T98.9Very high98.8Very high88 Ų8842.7 Ų42.754%0.5423%0.234SC..Hα-helixtrans-62.5-43.1175.2-59.10000110.9N98 D99 A105 S106N98-T102 WeakPolarHBondContact O-CB 3.36Å; N98-T102 PolarHBondContact O-N 3.39Å; N98-T102 PolarHBondContact O-OG1 2.89Å; D99-T102 WeakPolarHBondContact O-CB 3.27Å; D99-T102 PolarHBondContact O-N 2.97Å; T102-A105 PolarHBondContact O-N 3.16Å; T102-S106 PolarHBondContact O-N 2.76Å; T102-S106 PolarHBondContact O-OG 3.42Å
103T98.9Very high98.8Very high11 Ų1142.6 Ų42.67%0.06723%0.234CC..Hα-helixtrans-63.6-45.3176-62.50000112I9 P56 L73 D99 L100 A101 S106 Y107 F111I9-T103 HydrophobicContact CD1-CG2 4.25Å; P56-T103 HydrophobicContact CB-CG2 3.95Å; L73-T103 HydrophobicContact CD1-CG2 3.6Å; D99-T103 PolarHBondContact O-N 3.37Å; D99-T103 PolarHBondContact O-OG1 2.71Å; L100-T103 PolarHBondContact O-N 3.22Å; A101-T103 VanDerWaalsContact C-N 3.34Å; T103-S106 WeakPolarHBondContact O-CB 3.12Å; T103-S106 PolarHBondContact O-N 3.37Å; T103-Y107 PolarHBondContact O-N 3.01Å; T103-F111 HydrophobicContact CG2-CD2 4.06Å; T103-F111 HydrophobicContact CG2-CE2 4.25Å
104V98.8Very high98.8Very high26 Ų2642.6 Ų42.616%0.15823%0.234CC..Hα-helixtrans-61.3-45.4175.5170.80000111.2L100 A101 S106 Y107 P108 F111L100-V104 WeakPolarHBondContact O-CG2 3.32Å; L100-V104 PolarHBondContact O-N 2.66Å; A101-V104 PolarHBondContact O-N 3.3Å; V104-S106 PolarHBondContact O-N 3.41Å; V104-Y107 CarbonylContact O-C 3.42Å; V104-Y107 PolarHBondContact O-N 2.73Å; V104-Y107 VanDerWaalsContact O-N 3.13Å; V104-P108 WeakPolarHBondContact O-CA 3.5Å; V104-F111 HydrophobicContact CG2-CB 3.99Å
105A98.7Very high98.8Very high75 Ų7539.4 Ų39.462%0.6222%0.219SC*.Hα-helixtrans-62.7-29.9178.600000112.9A101 T102 Y107A101-A105 VanDerWaalsContact O-CB 3.28Å; A101-A105 WeakPolarHBondContact O-CB 3.3Å; A101-A105 PolarHBondContact O-N 3.24Å; T102-A105 PolarHBondContact O-N 3.16Å; A105-Y107 VanDerWaalsContact C-N 3.34Å
106S98.7Very high98.8Very high72 Ų7237.7 Ų37.750%0.50321%0.21SC..Hα-helixtrans-71.3-30.9177.3-580000112T102 T103 V104T102-S106 PolarHBondContact O-N 2.76Å; T102-S106 PolarHBondContact O-OG 3.42Å; T103-S106 WeakPolarHBondContact O-CB 3.12Å; T103-S106 PolarHBondContact O-N 3.37Å; V104-S106 PolarHBondContact O-N 3.41Å
107Y98.7Very high98.8Very high71 Ų7137.4 Ų37.428%0.27821%0.209SC..SBendtrans-141.664.4-178.1-54.6-81.3000112.3P56 E57 I60 T103 V104 A105 R109 R110 F111P56-Y107 HydrophobicContact CB-CD2 4.2Å; P56-Y107 HydrophobicContact CB-CE2 3.92Å; P56-Y107 HydrophobicContact CG-CE2 4.07Å; E57-Y107 WeakPolarHBondContact CG-OH 3.47Å; I60-Y107 HydrophobicContact CD1-CD1 3.26Å; I60-Y107 HydrophobicContact CD1-CD2 3.62Å; I60-Y107 HydrophobicContact CD1-CE1 3.52Å; I60-Y107 HydrophobicContact CD1-CE2 3.88Å; I60-Y107 HydrophobicContact CD1-CG 3.3Å; T103-Y107 PolarHBondContact O-N 3.01Å; V104-Y107 CarbonylContact O-C 3.42Å; V104-Y107 PolarHBondContact O-N 2.73Å; V104-Y107 VanDerWaalsContact O-N 3.13Å; A105-Y107 VanDerWaalsContact C-N 3.34Å; Y107-R109 PolarHBondContact O-N 3.23Å; Y107-R110 PolarHBondContact O-N 2.86Å; Y107-F111 HydrophobicContact CD2-CD2 4.35Å; Y107-F111 HydrophobicContact CD2-CE2 4.04Å; Y107-F111 HydrophobicContact CG-CD2 4.49Å; Y107-F111 HydrophobicContact CG-CE2 4.3Å; Y107-F111 PolarHBondContact O-N 2.93Å; Y107-F111 VanDerWaalsContact O-N 3.09Å
108P98.4Very high98.8Very high79 Ų7937.3 Ų37.351%0.51321%0.208SC..THydrogen-bonded Turntrans-67.9-16.9-167.726.5-36.1000114.1V104V104-P108 WeakPolarHBondContact O-CA 3.5Å
109R98.4Very high98.8Very high146 Ų14633.7 Ų33.755%0.55119%0.189SC*.THydrogen-bonded Turntrans-86.5-8.7173.5-59.3-170.8-168.3-173.89.2113.4Y107 F335 E336Y107-R109 PolarHBondContact O-N 3.23Å; R109-F335 WeakPolarHBondContact O-CD1 3.46Å; R109-E336 WeakPolarHBondContact CD-O 3.49Å; R109-E336 PolarHBondContact NH1-O 3.18Å
110R98.8Very high98.8Very high49 Ų4932.5 Ų32.519%0.18518%0.182CC..THydrogen-bonded Turntrans-116.5-20.7-173.5-51.3-53.7-58.7-88.72.6112.7I60 M63 D64 V68 T69 V70 Q71 Y107I60-R110 HydrophobicContact CD1-CG 4.47Å; M63-R110 HydrophobicContact CE-CB 4.29Å; D64-R110 IonicContact OD1-CZ 2.67Å; D64-R110 IonicContact OD1-NH1 2.86Å; D64-R110 PolarHBondContact OD1-NH1 3.43Å; D64-R110 IonicContact OD1-NH2 3.03Å; D64-R110 PolarHBondContact OD1-NH2 3.49Å; D64-R110 IonicContact OD2-NH1 3.01Å; V68-R110 PolarHBondContact O-NH2 2.94Å; V68-R110 VanDerWaalsContact O-NH2 3.15Å; T69-R110 PolarHBondContact O-NE 3.3Å; V70-R110 CarbonylContact C-O 3.52Å; V70-R110 WeakPolarHBondContact CA-O 3.45Å; Q71-R110 PolarHBondContact N-O 3.39Å; Y107-R110 PolarHBondContact O-N 2.86Å
111F98.9Very high98.8Very high1 Ų133 Ų330%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-135.4151.6-176.6-59.5-54000113.2P56 R59 I60 M63 Q71 L73 T103 V104 Y107P56-F111 HydrophobicContact CB-CE2 4.18Å; R59-F111 HydrophobicContact CB-CZ 4.4Å; I60-F111 HydrophobicContact CD1-CE2 3.9Å; I60-F111 HydrophobicContact CD1-CZ 4.24Å; I60-F111 HydrophobicContact CG1-CE2 3.96Å; I60-F111 HydrophobicContact CG1-CZ 3.77Å; M63-F111 HydrophobicContact CE-CE1 4.01Å; M63-F111 HydrophobicContact SD-CE1 3.47Å; M63-F111 WeakPolarHBondContact SD-CE1 3.49Å; M63-F111 HydrophobicContact SD-CZ 3.85Å; Q71-F111 HydrophobicContact CB-CD1 3.91Å; Q71-F111 HydrophobicContact CB-CE1 4Å; Q71-F111 WeakPolarHBondContact O-CA 3.35Å; L73-F111 HydrophobicContact CD1-CB 3.81Å; L73-F111 HydrophobicContact CD1-CD1 3.71Å; L73-F111 HydrophobicContact CD1-CD2 4.07Å; L73-F111 HydrophobicContact CD1-CE1 4.29Å; L73-F111 HydrophobicContact CD1-CG 3.6Å; L73-F111 HydrophobicContact CD2-CD1 3.72Å; L73-F111 HydrophobicContact CD2-CE1 3.91Å; L73-F111 HydrophobicContact CD2-CG 4.47Å; L73-F111 HydrophobicContact CG-CB 4.14Å; L73-F111 HydrophobicContact CG-CD1 3.7Å; L73-F111 HydrophobicContact CG-CE1 4.36Å; L73-F111 HydrophobicContact CG-CG 4.03Å; T103-F111 HydrophobicContact CG2-CD2 4.06Å; T103-F111 HydrophobicContact CG2-CE2 4.25Å; V104-F111 HydrophobicContact CG2-CB 3.99Å; Y107-F111 HydrophobicContact CD2-CD2 4.35Å; Y107-F111 HydrophobicContact CD2-CE2 4.04Å; Y107-F111 HydrophobicContact CG-CD2 4.49Å; Y107-F111 HydrophobicContact CG-CE2 4.3Å; Y107-F111 PolarHBondContact O-N 2.93Å; Y107-F111 VanDerWaalsContact O-N 3.09Å
112V98.9Very high98.8Very high13 Ų1333.4 Ų33.48%0.07919%0.188CC..EExtended strand (participates in β ladder)trans-133153.2162.4-62.90000108.7V70 Q71 A72 L73 P139 L328 L330 F335V70-V112 HydrophobicContact CG1-CG1 4.47Å; Q71-V112 PolarHBondContact O-N 2.9Å; A72-V112 WeakPolarHBondContact CA-O 3.42Å; A72-V112 HydrophobicContact CB-CG2 3.81Å; L73-V112 PolarHBondContact N-O 3.27Å; V112-P139 HydrophobicContact CB-CG 4.19Å; V112-P139 HydrophobicContact CG2-CG 4.42Å; V112-L328 HydrophobicContact CG2-CD1 4.04Å; V112-L330 HydrophobicContact CG1-CD1 3.77Å; V112-F335 HydrophobicContact CG1-CE1 3.79Å; V112-F335 HydrophobicContact CG1-CZ 3.72Å
113G98.9Very high98.8Very high1 Ų136.1 Ų36.11%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-101.6138.4-177.400000113.1F138 P139G113-F138 WeakPolarHBondContact O-CB 3.33Å; G113-P139 WeakPolarHBondContact O-CD 3.4Å
114L98.9Very high98.8Very high1 Ų136.7 Ų36.71%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-111.8104.8163.2-60.5179.1000108.1A72 L73 L100 G140 Q142 F172 L328A72-L114 HydrophobicContact CB-CD1 4.16Å; A72-L114 HydrophobicContact CB-CG 4.34Å; L73-L114 PolarHBondContact O-N 2.93Å; L100-L114 WeakPolarHBondContact CD2-O 3.48Å; L114-G140 WeakPolarHBondContact CA-O 3.35Å; L114-Q142 HydrophobicContact CB-CB 4.39Å; L114-F172 HydrophobicContact CD1-CB 3.98Å; L114-F172 HydrophobicContact CD1-CD1 4.49Å; L114-F172 HydrophobicContact CD1-CG 4.4Å; L114-L328 HydrophobicContact CD2-CD2 4.04Å
115G98.9Very high98.8Very high0 Ų035.4 Ų35.40%019%0.189CC..EExtended strand (participates in β ladder)trans-66.2160.2-177.100000113.3N97 G140 V141 Q142N97-G115 WeakPolarHBondContact OD1-CA 3.41Å; G115-G140 PolarHBondContact N-O 3.39Å; G115-G140 VanDerWaalsContact N-O 3.16Å; G115-V141 CarbonylContact O-C 3.59Å; G115-V141 WeakPolarHBondContact O-CA 3.21Å; G115-V141 WeakPolarHBondContact O-CB 3.46Å; G115-Q142 PolarHBondContact O-N 2.89Å
116T98.9Very high98.8Very high2 Ų233 Ų331%0.01217%0.167CC..  trans-104.9152.1169-177.50000110.4T75 C93 L96 N97T75-T116 HydrophobicContact CG2-CG2 4.09Å; C93-T116 HydrophobicContact CB-CG2 4.06Å; L96-T116 HydrophobicContact CB-CG2 4.19Å; L96-T116 HydrophobicContact CD1-CG2 4.07Å; N97-T116 PolarHBondContact ND2-O 2.93Å; N97-T116 PolarHBondContact OD1-N 2.75Å
117L99Very high98.9Very high0 Ų034.1 Ų34.10%016%0.164CC..  trans-130.8149.6-172.7-60.2179.6000112.2Y82 M119 A125 E128 M129 V141Y82-L117 VanDerWaalsContact CE1-O 3.23Å; Y82-L117 WeakPolarHBondContact CE1-O 3.5Å; L117-M119 HydrophobicContact CB-CG 4.15Å; L117-M119 HydrophobicContact CB-SD 3.92Å; L117-M119 HydrophobicContact CD1-SD 4.03Å; L117-M119 PolarHBondContact O-N 2.88Å; L117-A125 HydrophobicContact CB-CB 4.24Å; L117-E128 HydrophobicContact CD2-CB 3.94Å; L117-E128 HydrophobicContact CD2-CG 3.93Å; L117-M129 HydrophobicContact CD1-CB 4.04Å; L117-M129 HydrophobicContact CD1-CE 3.54Å; L117-M129 HydrophobicContact CD2-CB 4.01Å; L117-V141 HydrophobicContact CD1-CB 4.21Å; L117-V141 HydrophobicContact CD1-CG1 4.13Å; L117-V141 HydrophobicContact CD1-CG2 3.9Å; L117-V141 HydrophobicContact CD2-CG1 4.19Å; L117-V141 HydrophobicContact CG-CB 4.31Å; L117-V141 HydrophobicContact CG-CG1 4.11Å
118P98.9Very high98.9Very high0 Ų030.8 Ų30.80%015%0.151CC..  trans-77.168.8171.734.1-38.3000111.7T89 L90 Q120 A121 L124T89-P118 HydrophobicContact CG2-CB 3.84Å; L90-P118 HydrophobicContact CB-CB 4.27Å; L90-P118 HydrophobicContact CB-CG 4.03Å; L90-P118 HydrophobicContact CD1-CG 4.04Å; P118-Q120 PolarHBondContact O-N 2.99Å; P118-A121 PolarHBondContact O-N 3.44Å; P118-L124 HydrophobicContact CG-CB 3.81Å
119M98.9Very high98.9Very high0 Ų027 Ų270%013%0.127CC..THydrogen-bonded Turntrans-60-22.4-168.6-68.7-65.2-72.400114.9Y82 L117 A121 A125 I143 V147 L157 V160Y82-M119 HydrophobicContact CD1-CB 4.13Å; Y82-M119 HydrophobicContact CE1-CB 3.76Å; Y82-M119 HydrophobicContact CE1-CG 3.82Å; Y82-M119 HydrophobicContact CE2-CB 4.14Å; Y82-M119 HydrophobicContact CE2-CG 4.29Å; Y82-M119 WeakPolarHBondContact OH-CG 3.37Å; L117-M119 HydrophobicContact CB-CG 4.15Å; L117-M119 HydrophobicContact CB-SD 3.92Å; L117-M119 HydrophobicContact CD1-SD 4.03Å; L117-M119 PolarHBondContact O-N 2.88Å; M119-A121 PolarHBondContact O-N 3.33Å; M119-A125 HydrophobicContact SD-CB 4.2Å; M119-I143 HydrophobicContact CE-CB 4.36Å; M119-I143 HydrophobicContact CE-CD1 3.97Å; M119-I143 HydrophobicContact CE-CG2 4.03Å; M119-I143 HydrophobicContact CG-CB 4.41Å; M119-I143 HydrophobicContact CG-CG2 4Å; M119-I143 HydrophobicContact SD-CG2 3.73Å; M119-V147 HydrophobicContact CB-CB 4.46Å; M119-V147 HydrophobicContact CB-CG1 3.89Å; M119-V147 HydrophobicContact CB-CG2 3.65Å; M119-V147 HydrophobicContact CE-CG2 4.48Å; M119-V147 HydrophobicContact CG-CG2 4.45Å; M119-L157 HydrophobicContact CE-CD2 4.06Å; M119-V160 HydrophobicContact CE-CG1 4.11Å; M119-V160 HydrophobicContact SD-CG1 4.12Å
120Q98.9Very high98.9Very high23 Ų2323.6 Ų23.611%0.10712%0.117CC..THydrogen-bonded Turntrans-71.2-9.4175.878.3-82.229.500113.6Y82 A84 P86 T89 P118 V147Y82-Q120 WeakPolarHBondContact O-CB 3.49Å; Y82-Q120 WeakPolarHBondContact O-CG 3.39Å; A84-Q120 PolarHBondContact O-NE2 2.97Å; P86-Q120 HydrophobicContact CG-CG 4.35Å; T89-Q120 PolarHBondContact OG1-NE2 3.48Å; P118-Q120 PolarHBondContact O-N 2.99Å; Q120-V147 HydrophobicContact CB-CG1 4Å
121A98.9Very high98.9Very high18 Ų1823 Ų2315%0.14912%0.115CC..SBendtrans-128.488.9172.700000110.1P86 P118 M119 E123 L124 A125P86-A121 HydrophobicContact CB-CB 3.62Å; P86-A121 HydrophobicContact CG-CB 4.01Å; P118-A121 PolarHBondContact O-N 3.44Å; M119-A121 PolarHBondContact O-N 3.33Å; A121-E123 VanDerWaalsContact C-N 3.26Å; A121-E123 PolarHBondContact O-N 3.24Å; A121-E123 VanDerWaalsContact O-N 3.1Å; A121-L124 HydrophobicContact CB-CB 4.18Å; A121-L124 HydrophobicContact CB-CD1 4Å; A121-L124 HydrophobicContact CB-CG 4.13Å; A121-L124 PolarHBondContact O-N 2.91Å; A121-A125 PolarHBondContact O-N 2.99Å
122P98.9Very high98.9Very high25 Ų2523 Ų2316%0.16212%0.115CC..Hα-helixtrans-53.7-35.6-171-30.435.9000115.2A125 V126 W150 E156 V160P122-A125 PolarHBondContact O-N 3.45Å; P122-V126 VanDerWaalsContact O-CG2 3.3Å; P122-V126 WeakPolarHBondContact O-CG2 3.38Å; P122-V126 PolarHBondContact O-N 3.45Å; P122-W150 HydrophobicContact CG-CZ3 4.37Å; P122-E156 VanDerWaalsContact CB-O 3.23Å; P122-E156 WeakPolarHBondContact CB-O 3.41Å; P122-E156 HydrophobicContact CG-CB 4.43Å; P122-E156 WeakPolarHBondContact CG-O 3.26Å; P122-V160 HydrophobicContact CB-CG2 4.19Å
123E98.9Very high98.9Very high146 Ų14623.8 Ų23.868%0.68212%0.119SC*.Hα-helixtrans-64.4-48176.5-173.7176.6-178.500111.9A121 A125 V126 Q127A121-E123 VanDerWaalsContact C-N 3.26Å; A121-E123 PolarHBondContact O-N 3.24Å; A121-E123 VanDerWaalsContact O-N 3.1Å; E123-A125 VanDerWaalsContact C-N 3.31Å; E123-A125 PolarHBondContact O-N 3.42Å; E123-V126 PolarHBondContact O-N 2.71Å; E123-Q127 WeakPolarHBondContact O-CG 3.39Å; E123-Q127 PolarHBondContact O-N 3.39Å
124L98.9Very high98.9Very high22 Ų2231.1 Ų31.112%0.11515%0.151CC..Hα-helixtrans-65.3-36.8176.2-59.8-176.6000111.5P86 L90 P118 A121 V126 Q127 E128P86-L124 HydrophobicContact CB-CD1 3.89Å; L90-L124 HydrophobicContact CB-CD1 4.45Å; L90-L124 HydrophobicContact CD2-CB 4.36Å; L90-L124 HydrophobicContact CD2-CD1 4.18Å; L90-L124 HydrophobicContact CD2-CD2 4.06Å; L90-L124 HydrophobicContact CD2-CG 4.43Å; P118-L124 HydrophobicContact CG-CB 3.81Å; A121-L124 HydrophobicContact CB-CB 4.18Å; A121-L124 HydrophobicContact CB-CD1 4Å; A121-L124 HydrophobicContact CB-CG 4.13Å; A121-L124 PolarHBondContact O-N 2.91Å; L124-V126 VanDerWaalsContact C-N 3.34Å; L124-Q127 PolarHBondContact O-N 2.81Å; L124-E128 PolarHBondContact O-N 3.32Å
125A98.9Very high98.9Very high0 Ų037.8 Ų37.80%018%0.182CC..Hα-helixtrans-63.1-40.4175.800000111.9L117 M119 A121 P122 E123 M129 V160L117-A125 HydrophobicContact CB-CB 4.24Å; M119-A125 HydrophobicContact SD-CB 4.2Å; A121-A125 PolarHBondContact O-N 2.99Å; P122-A125 PolarHBondContact O-N 3.45Å; E123-A125 VanDerWaalsContact C-N 3.31Å; E123-A125 PolarHBondContact O-N 3.42Å; A125-M129 VanDerWaalsContact O-CB 3.23Å; A125-M129 WeakPolarHBondContact O-CB 3.33Å; A125-M129 PolarHBondContact O-N 3.32Å; A125-V160 HydrophobicContact CB-CG2 3.99Å
126V98.9Very high98.9Very high24 Ų2439.6 Ų39.615%0.14519%0.192CC..Hα-helixtrans-64-45.5173.9169.30000111P122 E123 L124 M129 E130 P159 V160 A163P122-V126 VanDerWaalsContact O-CG2 3.3Å; P122-V126 WeakPolarHBondContact O-CG2 3.38Å; P122-V126 PolarHBondContact O-N 3.45Å; E123-V126 PolarHBondContact O-N 2.71Å; L124-V126 VanDerWaalsContact C-N 3.34Å; V126-M129 WeakPolarHBondContact O-CB 3.44Å; V126-M129 PolarHBondContact O-N 3.42Å; V126-E130 WeakPolarHBondContact O-CG 3.38Å; V126-E130 PolarHBondContact O-N 3.21Å; V126-P159 HydrophobicContact CG2-CB 4.28Å; V126-P159 WeakPolarHBondContact CG2-O 3.37Å; V126-V160 HydrophobicContact CG2-CG2 4.24Å; V126-A163 HydrophobicContact CB-CB 4.34Å; V126-A163 HydrophobicContact CG1-CB 3.76Å; V126-A163 HydrophobicContact CG2-CB 3.87Å
127Q98.9Very high98.9Very high95 Ų9542.2 Ų42.244%0.44422%0.219SC..Hα-helixtrans-61.7-47.4179.2-69.3174.24.100112E123 L124 M129 E130 R131E123-Q127 WeakPolarHBondContact O-CG 3.39Å; E123-Q127 PolarHBondContact O-N 3.39Å; L124-Q127 PolarHBondContact O-N 2.81Å; Q127-M129 VanDerWaalsContact C-N 3.31Å; Q127-M129 PolarHBondContact O-N 3.38Å; Q127-E130 PolarHBondContact O-N 2.91Å; Q127-R131 PolarHBondContact O-N 3Å
128E98.9Very high98.9Very high2 Ų242.5 Ų42.51%0.00922%0.22CC..Hα-helixtrans-69.7-29.2178.2-175.859.8-169.600112L90 C93 Q94 N97 L117 L124 R131 C132L90-E128 HydrophobicContact CD1-CB 3.77Å; L90-E128 HydrophobicContact CD1-CG 4.15Å; C93-E128 HydrophobicContact CB-CG 4.43Å; Q94-E128 WeakPolarHBondContact CG-OE2 3.38Å; N97-E128 PolarHBondContact ND2-OE1 2.93Å; L117-E128 HydrophobicContact CD2-CB 3.94Å; L117-E128 HydrophobicContact CD2-CG 3.93Å; L124-E128 PolarHBondContact O-N 3.32Å; E128-R131 PolarHBondContact O-N 3.25Å; E128-R131 IonicContact OE1-CZ 2.71Å; E128-R131 IonicContact OE1-NE 2.71Å; E128-R131 PolarHBondContact OE1-NE 2.87Å; E128-R131 IonicContact OE1-NH2 2.75Å; E128-R131 PolarHBondContact OE1-NH2 3.41Å; E128-R131 IonicContact OE2-CZ 3.92Å; E128-R131 IonicContact OE2-NE 3.84Å; E128-R131 PolarHBondContact OE2-NE 3.16Å; E128-C132 WeakPolarHBondContact O-CB 3.35Å; E128-C132 PolarHBondContact O-N 3.37Å; E128-C132 PolarHBondContact O-SG 3.33Å
129M98.9Very high98.9Very high0 Ų043.3 Ų43.30%023%0.225CC..Hα-helixtrans-65.8-44.6171.4-176.1-172.5-6800111.4L117 A125 V126 Q127 R131 C132 V133 V141 V160 A163 A164 L167 C169 L171L117-M129 HydrophobicContact CD1-CB 4.04Å; L117-M129 HydrophobicContact CD1-CE 3.54Å; L117-M129 HydrophobicContact CD2-CB 4.01Å; A125-M129 VanDerWaalsContact O-CB 3.23Å; A125-M129 WeakPolarHBondContact O-CB 3.33Å; A125-M129 PolarHBondContact O-N 3.32Å; V126-M129 WeakPolarHBondContact O-CB 3.44Å; V126-M129 PolarHBondContact O-N 3.42Å; Q127-M129 VanDerWaalsContact C-N 3.31Å; Q127-M129 PolarHBondContact O-N 3.38Å; M129-R131 VanDerWaalsContact C-N 3.27Å; M129-R131 PolarHBondContact O-N 3.29Å; M129-C132 PolarHBondContact O-N 3.46Å; M129-V133 WeakPolarHBondContact O-CG2 3.48Å; M129-V133 PolarHBondContact O-N 2.85Å; M129-V141 HydrophobicContact CE-CG2 4.12Å; M129-V160 HydrophobicContact CE-CG1 3.47Å; M129-V160 VanDerWaalsContact CE-CG1 3.47Å; M129-A163 HydrophobicContact SD-CB 4.23Å; M129-A164 HydrophobicContact CE-CB 3.92Å; M129-A164 VanDerWaalsContact SD-CA 3.51Å; M129-A164 HydrophobicContact SD-CB 3.71Å; M129-L167 HydrophobicContact CG-CD1 3.94Å; M129-L167 HydrophobicContact SD-CD1 4.04Å; M129-C169 HydrophobicContact CG-CB 4.33Å; M129-C169 HydrophobicContact SD-CB 4.08Å; M129-L171 HydrophobicContact CE-CD2 4.22Å
130E98.9Very high98.9Very high73 Ų7343.3 Ų43.334%0.34123%0.225SC..Hα-helixtrans-58-43.8174.1-76.3-177.1157.700110.7V126 Q127 V133 K134 R166 L167V126-E130 WeakPolarHBondContact O-CG 3.38Å; V126-E130 PolarHBondContact O-N 3.21Å; Q127-E130 PolarHBondContact O-N 2.91Å; E130-V133 PolarHBondContact O-N 3.4Å; E130-K134 WeakPolarHBondContact O-CB 3.45Å; E130-K134 VanDerWaalsContact O-CG 3.25Å; E130-K134 WeakPolarHBondContact O-CG 3.41Å; E130-K134 PolarHBondContact O-N 2.92Å; E130-R166 IonicContact OE1-CZ 3.21Å; E130-R166 IonicContact OE1-NH2 2.79Å; E130-R166 PolarHBondContact OE1-NH2 3.38Å; E130-L167 HydrophobicContact CB-CD1 4.49Å; E130-L167 HydrophobicContact CG-CD1 3.73Å; E130-L167 HydrophobicContact CG-CD2 4.29Å
131R98.9Very high98.9Very high38 Ų3842.2 Ų42.214%0.14322%0.22CC..Hα-helixtrans-62.2-48.1175.9-153.7-16667.973.2-8.3112.7N98 Q127 E128 M129 V133 E135 L136N98-R131 PolarHBondContact OD1-NH2 2.84Å; Q127-R131 PolarHBondContact O-N 3Å; E128-R131 PolarHBondContact O-N 3.25Å; E128-R131 IonicContact OE1-CZ 2.71Å; E128-R131 IonicContact OE1-NE 2.71Å; E128-R131 PolarHBondContact OE1-NE 2.87Å; E128-R131 IonicContact OE1-NH2 2.75Å; E128-R131 PolarHBondContact OE1-NH2 3.41Å; E128-R131 IonicContact OE2-CZ 3.92Å; E128-R131 IonicContact OE2-NE 3.84Å; E128-R131 PolarHBondContact OE2-NE 3.16Å; M129-R131 VanDerWaalsContact C-N 3.27Å; M129-R131 PolarHBondContact O-N 3.29Å; R131-V133 VanDerWaalsContact C-N 3.29Å; R131-V133 PolarHBondContact O-N 3.03Å; R131-E135 HydrophobicContact CG-CB 4.3Å; R131-E135 VanDerWaalsContact CG-CD 3.4Å; R131-E135 HydrophobicContact CG-CG 4.15Å; R131-E135 WeakPolarHBondContact CG-OE2 3.16Å; R131-E135 IonicContact NH1-OE2 3.37Å; R131-E135 WeakPolarHBondContact O-CA 3.42Å; R131-E135 WeakPolarHBondContact O-CB 3.02Å; R131-E135 PolarHBondContact O-N 3.25Å; R131-L136 VanDerWaalsContact NH1-CD2 3.34Å; R131-L136 VanDerWaalsContact NH1-CG 3.31Å; R131-L136 VanDerWaalsContact NH2-CD1 3.27Å; R131-L136 PolarHBondContact O-N 3.2Å
132C98.9Very high98.9Very high0 Ų041.4 Ų41.40%021%0.213CC..Hα-helixtrans-53.8-46.3175.9-75.40000111.8N97 E128 M129 L136 G137 F138N97-C132 PolarHBondContact ND2-SG 2.8Å; N97-C132 VanDerWaalsContact ND2-SG 3.4Å; E128-C132 WeakPolarHBondContact O-CB 3.35Å; E128-C132 PolarHBondContact O-N 3.37Å; E128-C132 PolarHBondContact O-SG 3.33Å; M129-C132 PolarHBondContact O-N 3.46Å; C132-L136 CarbonylContact O-C 3.57Å; C132-L136 WeakPolarHBondContact O-CB 3.28Å; C132-L136 PolarHBondContact O-N 2.96Å; C132-G137 PolarHBondContact O-N 2.9Å; C132-G137 VanDerWaalsContact O-N 3.11Å; C132-F138 HydrophobicContact CB-CB 4.34Å; C132-F138 HydrophobicContact CB-CD2 3.87Å; C132-F138 WeakPolarHBondContact O-CB 3.34Å; C132-F138 PolarHBondContact O-N 3.31Å
133V98.9Very high98.9Very high29 Ų2940.3 Ų40.318%0.17621%0.206CC..Hα-helixtrans-77.6-46.5-176.6175.90000111.9M129 E130 R131 L167 C169M129-V133 WeakPolarHBondContact O-CG2 3.48Å; M129-V133 PolarHBondContact O-N 2.85Å; E130-V133 PolarHBondContact O-N 3.4Å; R131-V133 VanDerWaalsContact C-N 3.29Å; R131-V133 PolarHBondContact O-N 3.03Å; V133-L167 HydrophobicContact CG1-CB 4.35Å; V133-L167 HydrophobicContact CG1-CD2 4.49Å; V133-L167 HydrophobicContact CG2-CB 4.38Å; V133-L167 HydrophobicContact CG2-CD1 4.42Å; V133-C169 HydrophobicContact CG2-CB 3.81Å
134K98.8Very high98.9Very high155 Ų15533.4 Ų33.467%0.67417%0.174SC*.Hα-helixtrans-84.4-33-169.6-62.9-63.2-175.1-176.20113.7E130E130-K134 WeakPolarHBondContact O-CB 3.45Å; E130-K134 VanDerWaalsContact O-CG 3.25Å; E130-K134 WeakPolarHBondContact O-CG 3.41Å; E130-K134 PolarHBondContact O-N 2.92Å
135E98.8Very high98.9Very high141 Ų14132.4 Ų32.466%0.65917%0.169SC*.THydrogen-bonded Turntrans-106-44.4-175.6-58.9178.8-167.100111.9R131R131-E135 HydrophobicContact CG-CB 4.3Å; R131-E135 VanDerWaalsContact CG-CD 3.4Å; R131-E135 HydrophobicContact CG-CG 4.15Å; R131-E135 WeakPolarHBondContact CG-OE2 3.16Å; R131-E135 IonicContact NH1-OE2 3.37Å; R131-E135 WeakPolarHBondContact O-CA 3.42Å; R131-E135 WeakPolarHBondContact O-CB 3.02Å; R131-E135 PolarHBondContact O-N 3.25Å
136L98.8Very high98.9Very high39 Ų3933.8 Ų33.820%0.20418%0.175CC..SBendtrans-87.8-11.6-178.9-55.5-174.5000113.7N97 A101 R131 C132 F138N97-L136 HydrophobicContact CB-CD1 3.78Å; N97-L136 WeakPolarHBondContact O-CD1 3.49Å; A101-L136 HydrophobicContact CB-CB 4.13Å; A101-L136 HydrophobicContact CB-CD1 4.1Å; A101-L136 HydrophobicContact CB-CD2 3.76Å; A101-L136 HydrophobicContact CB-CG 4.22Å; R131-L136 VanDerWaalsContact NH1-CD2 3.34Å; R131-L136 VanDerWaalsContact NH1-CG 3.31Å; R131-L136 VanDerWaalsContact NH2-CD1 3.27Å; R131-L136 PolarHBondContact O-N 3.2Å; C132-L136 CarbonylContact O-C 3.57Å; C132-L136 WeakPolarHBondContact O-CB 3.28Å; C132-L136 PolarHBondContact O-N 2.96Å; L136-F138 VanDerWaalsContact C-N 3.28Å; L136-F138 HydrophobicContact CB-CD1 4.06Å; L136-F138 HydrophobicContact CB-CD2 4.26Å; L136-F138 HydrophobicContact CB-CE1 3.98Å; L136-F138 HydrophobicContact CB-CE2 4.19Å; L136-F138 HydrophobicContact CB-CG 4.2Å; L136-F138 HydrophobicContact CB-CZ 4.05Å; L136-F138 HydrophobicContact CD1-CD2 4.28Å; L136-F138 HydrophobicContact CD1-CE2 3.65Å; L136-F138 HydrophobicContact CD1-CZ 3.82Å; L136-F138 PolarHBondContact O-N 3.13Å
137G98.7Very high98.9Very high57 Ų5732.7 Ų32.759%0.58817%0.169SC*.  trans68.624.217900000113.9C132C132-G137 PolarHBondContact O-N 2.9Å; C132-G137 VanDerWaalsContact O-N 3.11Å
138F98.9Very high98.9Very high5 Ų531.4 Ų31.42%0.02217%0.165CC..  trans-71.4131.9178.5-67.4-12.8000111.3N97 L100 A101 G113 C132 L136 G140N97-F138 HydrophobicContact CB-CE2 4.14Å; N97-F138 WeakPolarHBondContact O-CZ 3.23Å; L100-F138 HydrophobicContact CB-CZ 3.93Å; L100-F138 HydrophobicContact CD2-CE2 4.04Å; L100-F138 HydrophobicContact CD2-CZ 3.97Å; L100-F138 HydrophobicContact CG-CZ 4.15Å; A101-F138 HydrophobicContact CB-CE1 3.9Å; A101-F138 HydrophobicContact CB-CZ 3.81Å; G113-F138 WeakPolarHBondContact O-CB 3.33Å; C132-F138 HydrophobicContact CB-CB 4.34Å; C132-F138 HydrophobicContact CB-CD2 3.87Å; C132-F138 WeakPolarHBondContact O-CB 3.34Å; C132-F138 PolarHBondContact O-N 3.31Å; L136-F138 VanDerWaalsContact C-N 3.28Å; L136-F138 HydrophobicContact CB-CD1 4.06Å; L136-F138 HydrophobicContact CB-CD2 4.26Å; L136-F138 HydrophobicContact CB-CE1 3.98Å; L136-F138 HydrophobicContact CB-CE2 4.19Å; L136-F138 HydrophobicContact CB-CG 4.2Å; L136-F138 HydrophobicContact CB-CZ 4.05Å; L136-F138 HydrophobicContact CD1-CD2 4.28Å; L136-F138 HydrophobicContact CD1-CE2 3.65Å; L136-F138 HydrophobicContact CD1-CZ 3.82Å; L136-F138 PolarHBondContact O-N 3.13Å; F138-G140 PolarHBondContact O-N 3Å
139P98.9Very high98.9Very high17 Ų1740.1 Ų40.111%0.1121%0.206CC..SBendtrans-71.5-13.2174.529.6-38.6000113.6V112 G113 S170 L328 L330V112-P139 HydrophobicContact CB-CG 4.19Å; V112-P139 HydrophobicContact CG2-CG 4.42Å; G113-P139 WeakPolarHBondContact O-CD 3.4Å; P139-S170 PolarHBondContact O-N 3.37Å; P139-L328 HydrophobicContact CB-CB 3.99Å; P139-L328 HydrophobicContact CB-CD2 4.03Å; P139-L328 WeakPolarHBondContact CB-O 3.35Å; P139-L328 HydrophobicContact CG-CB 4.39Å; P139-L328 HydrophobicContact CG-CD2 3.87Å; P139-L330 HydrophobicContact CB-CD1 4.32Å; P139-L330 HydrophobicContact CB-CD2 4.35Å; P139-L330 HydrophobicContact CB-CG 4.39Å; P139-L330 HydrophobicContact CG-CD1 4.27Å
140G98.9Very high98.9Very high0 Ų043.9 Ų43.90%022%0.22CC..EExtended strand (participates in β ladder)trans-169.6-176.3-173.500000113.9L114 G115 F138 S170L114-G140 WeakPolarHBondContact CA-O 3.35Å; G115-G140 PolarHBondContact N-O 3.39Å; G115-G140 VanDerWaalsContact N-O 3.16Å; F138-G140 PolarHBondContact O-N 3Å; G140-S170 CarbonylContact C-O 3.56Å; G140-S170 WeakPolarHBondContact CA-O 3.31Å
141V99Very high98.9Very high0 Ų043 Ų430%022%0.218CC..EExtended strand (participates in β ladder)trans-135.4153.5175.1-65.60000110.3G115 L117 M129 I143 S170 L171 F172G115-V141 CarbonylContact O-C 3.59Å; G115-V141 WeakPolarHBondContact O-CA 3.21Å; G115-V141 WeakPolarHBondContact O-CB 3.46Å; L117-V141 HydrophobicContact CD1-CB 4.21Å; L117-V141 HydrophobicContact CD1-CG1 4.13Å; L117-V141 HydrophobicContact CD1-CG2 3.9Å; L117-V141 HydrophobicContact CD2-CG1 4.19Å; L117-V141 HydrophobicContact CG-CB 4.31Å; L117-V141 HydrophobicContact CG-CG1 4.11Å; M129-V141 HydrophobicContact CE-CG2 4.12Å; V141-I143 HydrophobicContact CG2-CG2 4.39Å; V141-S170 PolarHBondContact N-O 3.38Å; V141-L171 HydrophobicContact CG2-CD2 3.39Å; V141-F172 PolarHBondContact O-N 2.95Å
142Q98.9Very high98.9Very high1 Ų141.2 Ų41.21%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-103132.9169179.9-178.9-99.400109.9H8 S74 T75 F80 L114 G115 F172 H174H8-Q142 PolarHBondContact CE1-OE1 2.88Å; S74-Q142 PolarHBondContact OG-OE1 2.81Å; S74-Q142 VanDerWaalsContact OG-OE1 3.11Å; T75-Q142 PolarHBondContact O-NE2 2.88Å; F80-Q142 HydrophobicContact CE1-CG 4.14Å; F80-Q142 HydrophobicContact CZ-CG 3.91Å; L114-Q142 HydrophobicContact CB-CB 4.39Å; G115-Q142 PolarHBondContact O-N 2.89Å; Q142-F172 CarbonylContact C-O 3.54Å; Q142-F172 VanDerWaalsContact CA-O 3.24Å; Q142-F172 WeakPolarHBondContact CA-O 3.49Å; Q142-F172 HydrophobicContact CB-CD1 4.39Å; Q142-F172 HydrophobicContact CG-CD1 3.89Å; Q142-F172 VanDerWaalsContact OE1-CD1 3.32Å; Q142-H174 HydrophobicContact CG-CB 4.08Å
143I98.9Very high98.9Very high2 Ų244 Ų441%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-130.8161.4177.664.5171.6000111.4Y82 M119 V141 L152 L171 F172 V173 H174Y82-I143 WeakPolarHBondContact OH-CA 3.38Å; M119-I143 HydrophobicContact CE-CB 4.36Å; M119-I143 HydrophobicContact CE-CD1 3.97Å; M119-I143 HydrophobicContact CE-CG2 4.03Å; M119-I143 HydrophobicContact CG-CB 4.41Å; M119-I143 HydrophobicContact CG-CG2 4Å; M119-I143 HydrophobicContact SD-CG2 3.73Å; V141-I143 HydrophobicContact CG2-CG2 4.39Å; I143-L152 HydrophobicContact CD1-CD2 4.44Å; I143-L171 HydrophobicContact CD1-CD1 4.43Å; I143-F172 PolarHBondContact N-O 2.83Å; I143-V173 HydrophobicContact CD1-CG2 4.26Å; I143-V173 HydrophobicContact CG1-CG2 4.07Å; I143-V173 WeakPolarHBondContact O-CA 3.3Å; I143-H174 PolarHBondContact O-N 2.87Å
144G98.9Very high98.9Very high1 Ų143 Ų431%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-70.4164.1173.600000114.1Y82 H146 H174Y82-G144 PolarHBondContact OH-N 2.93Å; G144-H146 PolarHBondContact O-N 3.4Å; G144-H174 CarbonylContact C-O 3.46Å; G144-H174 WeakPolarHBondContact CA-O 3.5Å
145T98.9Very high98.9Very high1 Ų144 Ų441%0.00622%0.221CC..SBendtrans-68.9-21.3172.340.70000113.8L152 V173 H174 P175 E198 A202T145-L152 WeakPolarHBondContact O-CG 3.46Å; T145-V173 HydrophobicContact CG2-CG1 3.82Å; T145-H174 PolarHBondContact N-O 3.35Å; T145-P175 VanDerWaalsContact CG2-CA 3.45Å; T145-P175 HydrophobicContact CG2-CB 3.92Å; T145-E198 HydrophobicContact CG2-CB 4.19Å; T145-E198 PolarHBondContact OG1-OE2 3.31Å; T145-A202 HydrophobicContact CG2-CB 3.81Å
146H98.9Very high98.9Very high29 Ų2941.7 Ų41.713%0.13421%0.21CC..EExtended strand (participates in β ladder)trans-149.1170.1171.566.1-97000109.5G144 N148 W150 W176 D177 E198G144-H146 PolarHBondContact O-N 3.4Å; H146-N148 PolarHBondContact CD2-O 2.88Å; H146-W150 CarbonylContact C-O 3.46Å; H146-W150 WeakPolarHBondContact CA-O 3.47Å; H146-W150 WeakPolarHBondContact CB-O 3.29Å; H146-W176 PolarHBondContact CE1-O 2.83Å; H146-W176 VanDerWaalsContact CE1-O 3.27Å; H146-D177 IonicContact NE2-OD2 2.76Å; H146-E198 IonicContact CE1-OE2 3.71Å; H146-E198 IonicContact CG-OE2 3.77Å; H146-E198 IonicContact ND1-OE2 2.65Å; H146-E198 PolarHBondContact ND1-OE2 3.36Å
147V98.9Very high98.9Very high1 Ų139.8 Ų39.81%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-130.390.8-180-175.50000108.3Y82 M119 Q120 E149 W150 L157Y82-V147 HydrophobicContact CD2-CB 4.31Å; Y82-V147 HydrophobicContact CD2-CG1 4.1Å; Y82-V147 HydrophobicContact CD2-CG2 4.15Å; Y82-V147 HydrophobicContact CE2-CG2 4.1Å; Y82-V147 HydrophobicContact CG-CG1 4.21Å; M119-V147 HydrophobicContact CB-CB 4.46Å; M119-V147 HydrophobicContact CB-CG1 3.89Å; M119-V147 HydrophobicContact CB-CG2 3.65Å; M119-V147 HydrophobicContact CE-CG2 4.48Å; M119-V147 HydrophobicContact CG-CG2 4.45Å; Q120-V147 HydrophobicContact CB-CG1 4Å; V147-E149 PolarHBondContact O-N 3.48Å; V147-W150 HydrophobicContact CB-CB 4.32Å; V147-W150 HydrophobicContact CB-CE3 4.39Å; V147-W150 HydrophobicContact CG1-CE3 4.18Å; V147-W150 PolarHBondContact N-O 3.05Å; V147-W150 WeakPolarHBondContact O-CB 3.29Å; V147-W150 PolarHBondContact O-N 3.36Å; V147-L157 HydrophobicContact CG2-CD1 4.14Å; V147-L157 HydrophobicContact CG2-CD2 4.41Å
148N98.7Very high98.9Very high69 Ų6938.9 Ų38.937%0.36918%0.18SC..THydrogen-bonded Turntrans52.7-127-167.2-50.2-55000109.6Y82 H146 W150Y82-N148 PolarHBondContact O-ND2 2.83Å; Y82-N148 PolarHBondContact O-OD1 3.17Å; H146-N148 PolarHBondContact CD2-O 2.88Å; N148-W150 PolarHBondContact O-N 3.41Å
149E98.6Very high98.9Very high185 Ų18541.8 Ų41.886%0.86420%0.199SC*.THydrogen-bonded Turntrans-73.4-4.2178.1-58.9-60.6142.600114.3V147V147-E149 PolarHBondContact O-N 3.48Å
150W98.9Very high98.9Very high78 Ų7841 Ų4130%0.29519%0.194SC..EExtended strand (participates in β ladder)trans-91.2108.2179.7-61.1-22.9000111.5P122 H146 V147 N148 A154 E156 L157P122-W150 HydrophobicContact CG-CZ3 4.37Å; H146-W150 CarbonylContact C-O 3.46Å; H146-W150 WeakPolarHBondContact CA-O 3.47Å; H146-W150 WeakPolarHBondContact CB-O 3.29Å; V147-W150 HydrophobicContact CB-CB 4.32Å; V147-W150 HydrophobicContact CB-CE3 4.39Å; V147-W150 HydrophobicContact CG1-CE3 4.18Å; V147-W150 PolarHBondContact N-O 3.05Å; V147-W150 WeakPolarHBondContact O-CB 3.29Å; V147-W150 PolarHBondContact O-N 3.36Å; N148-W150 PolarHBondContact O-N 3.41Å; W150-A154 HydrophobicContact CB-CB 3.65Å; W150-A154 HydrophobicContact CG-CB 3.86Å; W150-E156 HydrophobicContact CD2-CB 4.27Å; W150-E156 HydrophobicContact CE3-CB 4.2Å; W150-E156 HydrophobicContact CH2-CB 3.98Å; W150-E156 HydrophobicContact CH2-CG 4.08Å; W150-E156 HydrophobicContact CZ2-CB 4.05Å; W150-E156 HydrophobicContact CZ2-CG 3.72Å; W150-E156 HydrophobicContact CZ3-CB 4.05Å; W150-L157 HydrophobicContact CE3-CD2 4.23Å
151D98.9Very high98.9Very high55 Ų5541 Ų4129%0.29419%0.194SC..EExtended strand (participates in β ladder)trans-62.8162.2156.7-89-63.3000111.4N153 A154 I201 S205D151-N153 VanDerWaalsContact CB-OD1 3.23Å; D151-N153 WeakPolarHBondContact CB-OD1 3.43Å; D151-N153 PolarHBondContact O-N 2.83Å; D151-A154 VanDerWaalsContact O-CB 3.26Å; D151-A154 WeakPolarHBondContact O-CB 3.33Å; D151-A154 PolarHBondContact O-N 2.8Å; D151-I201 VanDerWaalsContact OD1-CG2 3.27Å; D151-I201 WeakPolarHBondContact OD1-CG2 3.45Å; D151-S205 PolarHBondContact OD1-OG 3.25Å
152L98.9Very high98.9Very high0 Ų042.8 Ų42.80%021%0.208CC..THydrogen-bonded Turntrans-683.6-177.6-59-173.5000115I143 T145 L157 Y161 V173 A202 M206 V211I143-L152 HydrophobicContact CD1-CD2 4.44Å; T145-L152 WeakPolarHBondContact O-CG 3.46Å; L152-L157 HydrophobicContact CD2-CD1 4.04Å; L152-Y161 WeakPolarHBondContact CA-OH 3.24Å; L152-Y161 PolarHBondContact O-OH 2.81Å; L152-V173 HydrophobicContact CD1-CG1 3.88Å; L152-V173 HydrophobicContact CD1-CG2 4.11Å; L152-A202 HydrophobicContact CD1-CB 3.97Å; L152-A202 HydrophobicContact CG-CB 4.48Å; L152-M206 HydrophobicContact CB-CG 3.46Å; L152-M206 VanDerWaalsContact CB-CG 3.46Å; L152-M206 HydrophobicContact CB-SD 4.19Å; L152-M206 HydrophobicContact CD1-CG 4.02Å; L152-M206 HydrophobicContact CD1-SD 3.74Å; L152-M206 HydrophobicContact CG-CG 4.4Å; L152-V211 WeakPolarHBondContact O-CG2 3.37Å
153N98.8Very high98.9Very high58 Ų5842.8 Ų42.831%0.3121%0.209SC..THydrogen-bonded Turntrans-89.1-9.7167.771.9-54.6000113.5D151 R155 F158 S205D151-N153 VanDerWaalsContact CB-OD1 3.23Å; D151-N153 WeakPolarHBondContact CB-OD1 3.43Å; D151-N153 PolarHBondContact O-N 2.83Å; N153-R155 PolarHBondContact O-N 2.9Å; N153-F158 WeakPolarHBondContact O-CE1 3.39Å; N153-S205 WeakPolarHBondContact CB-O 3.29Å
154A98.9Very high98.9Very high10 Ų1042.7 Ų42.78%0.08321%0.208CC..  trans-55.2131.3-176.400000111.1W150 D151 E156 L157 F158W150-A154 HydrophobicContact CB-CB 3.65Å; W150-A154 HydrophobicContact CG-CB 3.86Å; D151-A154 VanDerWaalsContact O-CB 3.26Å; D151-A154 WeakPolarHBondContact O-CB 3.33Å; D151-A154 PolarHBondContact O-N 2.8Å; A154-E156 PolarHBondContact O-N 2.82Å; A154-L157 HydrophobicContact CB-CD1 4.47Å; A154-L157 HydrophobicContact CB-CG 4.36Å; A154-L157 PolarHBondContact O-N 3.3Å; A154-F158 WeakPolarHBondContact O-CD1 3.38Å
155R98.8Very high98.9Very high176 Ų17644.8 Ų44.866%0.66422%0.218SC*.G310 helixtrans-65.7-26.9-177.2-67.7-176.1179.9-177.51.6111.3N153 L157 F158 D250N153-R155 PolarHBondContact O-N 2.9Å; R155-L157 PolarHBondContact O-N 3.38Å; R155-F158 HydrophobicContact CG-CZ 4.34Å; R155-F158 WeakPolarHBondContact O-CB 3.31Å; R155-F158 PolarHBondContact O-N 3.42Å; R155-F158 VanDerWaalsContact O-N 3.1Å; R155-D250 IonicContact NH2-OD1 3.69Å
156E98.8Very high98.9Very high91 Ų9151.7 Ų51.743%0.42524%0.244SC..G310 helixtrans-55.5-31.2173.3-65.583.8172.300111.9P122 W150 A154 P159P122-E156 VanDerWaalsContact CB-O 3.23Å; P122-E156 WeakPolarHBondContact CB-O 3.41Å; P122-E156 HydrophobicContact CG-CB 4.43Å; P122-E156 WeakPolarHBondContact CG-O 3.26Å; W150-E156 HydrophobicContact CD2-CB 4.27Å; W150-E156 HydrophobicContact CE3-CB 4.2Å; W150-E156 HydrophobicContact CH2-CB 3.98Å; W150-E156 HydrophobicContact CH2-CG 4.08Å; W150-E156 HydrophobicContact CZ2-CB 4.05Å; W150-E156 HydrophobicContact CZ2-CG 3.72Å; W150-E156 HydrophobicContact CZ3-CB 4.05Å; A154-E156 PolarHBondContact O-N 2.82Å; E156-P159 VanDerWaalsContact O-CD 3.31Å; E156-P159 WeakPolarHBondContact O-CD 3.29Å
157L98.9Very high98.9Very high0 Ų051.3 Ų51.30%024%0.243CC..G310 helixtrans-88.5-7.8-179.8-59.8-179.8000113.7M119 V147 W150 L152 A154 R155 P159 V160 Y161M119-L157 HydrophobicContact CE-CD2 4.06Å; V147-L157 HydrophobicContact CG2-CD1 4.14Å; V147-L157 HydrophobicContact CG2-CD2 4.41Å; W150-L157 HydrophobicContact CE3-CD2 4.23Å; L152-L157 HydrophobicContact CD2-CD1 4.04Å; A154-L157 HydrophobicContact CB-CD1 4.47Å; A154-L157 HydrophobicContact CB-CG 4.36Å; A154-L157 PolarHBondContact O-N 3.3Å; R155-L157 PolarHBondContact O-N 3.38Å; L157-P159 VanDerWaalsContact C-CD 3.44Å; L157-V160 WeakPolarHBondContact O-CA 3.33Å; L157-V160 VanDerWaalsContact O-CB 3.3Å; L157-V160 WeakPolarHBondContact O-CB 3.17Å; L157-V160 PolarHBondContact O-N 3.05Å; L157-Y161 HydrophobicContact CB-CE2 3.74Å; L157-Y161 WeakPolarHBondContact CD1-OH 2.89Å; L157-Y161 WeakPolarHBondContact O-CD2 3.43Å; L157-Y161 PolarHBondContact O-N 2.8Å
158F98.9Very high98.9Very high38 Ų3859.4 Ų59.417%0.16728%0.277CS..Hα-helixtrans-60.6-36.1-178.6-74.724.5000114N153 A154 R155 V160 Y161 A162 V211 K214 F215N153-F158 WeakPolarHBondContact O-CE1 3.39Å; A154-F158 WeakPolarHBondContact O-CD1 3.38Å; R155-F158 HydrophobicContact CG-CZ 4.34Å; R155-F158 WeakPolarHBondContact O-CB 3.31Å; R155-F158 PolarHBondContact O-N 3.42Å; R155-F158 VanDerWaalsContact O-N 3.1Å; F158-V160 PolarHBondContact O-N 2.9Å; F158-Y161 AromaticContact CD1-CD2 3.94Å; F158-Y161 HydrophobicContact CD1-CD2 3.94Å; F158-Y161 HydrophobicContact CD1-CE2 4.05Å; F158-Y161 PolarHBondContact O-N 3.01Å; F158-A162 WeakPolarHBondContact O-CB 3.33Å; F158-A162 PolarHBondContact O-N 3.48Å; F158-V211 HydrophobicContact CE1-CG2 4.27Å; F158-K214 HydrophobicContact CD2-CD 4.14Å; F158-K214 HydrophobicContact CE2-CD 3.41Å; F158-K214 VanDerWaalsContact CE2-CD 3.41Å; F158-K214 HydrophobicContact CZ-CD 4.08Å; F158-F215 HydrophobicContact CB-CE2 4.33Å; F158-F215 HydrophobicContact CB-CZ 4.11Å; F158-F215 HydrophobicContact CD2-CE2 4.27Å; F158-F215 HydrophobicContact CD2-CZ 4.38Å; F158-F215 HydrophobicContact CG-CE2 4.13Å; F158-F215 HydrophobicContact CG-CZ 4.32Å
159P98.9Very high98.9Very high66 Ų6656.2 Ų56.243%0.42926%0.261SS..Hα-helixtrans-56.4-37.1171.2-26.536.4000113.1V126 E156 L157 A163V126-P159 HydrophobicContact CG2-CB 4.28Å; V126-P159 WeakPolarHBondContact CG2-O 3.37Å; E156-P159 VanDerWaalsContact O-CD 3.31Å; E156-P159 WeakPolarHBondContact O-CD 3.29Å; L157-P159 VanDerWaalsContact C-CD 3.44Å; P159-A163 WeakPolarHBondContact O-CB 3.25Å; P159-A163 PolarHBondContact O-N 3.43Å
160V98.9Very high98.9Very high1 Ų147.4 Ų47.41%0.00622%0.22CC..Hα-helixtrans-67.7-45178.1-176.10000110.4M119 P122 A125 V126 M129 L157 F158 A163 A164M119-V160 HydrophobicContact CE-CG1 4.11Å; M119-V160 HydrophobicContact SD-CG1 4.12Å; P122-V160 HydrophobicContact CB-CG2 4.19Å; A125-V160 HydrophobicContact CB-CG2 3.99Å; V126-V160 HydrophobicContact CG2-CG2 4.24Å; M129-V160 HydrophobicContact CE-CG1 3.47Å; M129-V160 VanDerWaalsContact CE-CG1 3.47Å; L157-V160 WeakPolarHBondContact O-CA 3.33Å; L157-V160 VanDerWaalsContact O-CB 3.3Å; L157-V160 WeakPolarHBondContact O-CB 3.17Å; L157-V160 PolarHBondContact O-N 3.05Å; F158-V160 PolarHBondContact O-N 2.9Å; V160-A163 PolarHBondContact O-N 3.13Å; V160-A164 WeakPolarHBondContact O-CB 3.28Å; V160-A164 PolarHBondContact O-N 2.76Å
161Y98.9Very high98.9Very high0 Ų043.8 Ų43.80%021%0.206CC..Hα-helixtrans-63.7-42.6176.8-54.5-38.7000112.3L152 L157 F158 A163 A164 E165 L171 V211 F215 L218L152-Y161 WeakPolarHBondContact CA-OH 3.24Å; L152-Y161 PolarHBondContact O-OH 2.81Å; L157-Y161 HydrophobicContact CB-CE2 3.74Å; L157-Y161 WeakPolarHBondContact CD1-OH 2.89Å; L157-Y161 WeakPolarHBondContact O-CD2 3.43Å; L157-Y161 PolarHBondContact O-N 2.8Å; F158-Y161 AromaticContact CD1-CD2 3.94Å; F158-Y161 HydrophobicContact CD1-CD2 3.94Å; F158-Y161 HydrophobicContact CD1-CE2 4.05Å; F158-Y161 PolarHBondContact O-N 3.01Å; Y161-A163 VanDerWaalsContact C-N 3.33Å; Y161-A163 PolarHBondContact O-N 2.58Å; Y161-A164 PolarHBondContact O-N 3.27Å; Y161-E165 PolarHBondContact O-N 3.03Å; Y161-L171 HydrophobicContact CD1-CD1 3.96Å; Y161-L171 HydrophobicContact CE1-CD1 4.21Å; Y161-V211 HydrophobicContact CD1-CG1 4.49Å; Y161-V211 HydrophobicContact CD2-CG1 3.6Å; Y161-V211 HydrophobicContact CD2-CG2 4.36Å; Y161-V211 HydrophobicContact CE2-CG1 3.88Å; Y161-V211 HydrophobicContact CE2-CG2 4.02Å; Y161-V211 HydrophobicContact CG-CG1 3.97Å; Y161-F215 HydrophobicContact CD2-CD2 4.37Å; Y161-F215 HydrophobicContact CD2-CE2 4.05Å; Y161-F215 HydrophobicContact CG-CD2 4.39Å; Y161-F215 HydrophobicContact CG-CE2 4.34Å; Y161-L218 HydrophobicContact CD1-CD2 4.1Å; Y161-L218 HydrophobicContact CG-CD2 4.28Å
162A98.9Very high98.9Very high36 Ų3641.2 Ų41.230%0.29819%0.192SC..Hα-helixtrans-61.5-41.8176.100000112F158 R166 F215F158-A162 WeakPolarHBondContact O-CB 3.33Å; F158-A162 PolarHBondContact O-N 3.48Å; A162-R166 VanDerWaalsContact O-CB 3.31Å; A162-R166 WeakPolarHBondContact O-CB 3.48Å; A162-R166 PolarHBondContact O-N 3.13Å; A162-R166 VanDerWaalsContact O-N 3.08Å; A162-F215 HydrophobicContact CB-CD1 4.48Å; A162-F215 HydrophobicContact CB-CE1 3.68Å; A162-F215 HydrophobicContact CB-CZ 4.3Å
163A98.9Very high98.9Very high1 Ų141.2 Ų41.21%0.00819%0.192CC..Hα-helixtrans-65.9-45.6175.200000111.6V126 M129 P159 V160 Y161 E165 R166 L167V126-A163 HydrophobicContact CB-CB 4.34Å; V126-A163 HydrophobicContact CG1-CB 3.76Å; V126-A163 HydrophobicContact CG2-CB 3.87Å; M129-A163 HydrophobicContact SD-CB 4.23Å; P159-A163 WeakPolarHBondContact O-CB 3.25Å; P159-A163 PolarHBondContact O-N 3.43Å; V160-A163 PolarHBondContact O-N 3.13Å; Y161-A163 VanDerWaalsContact C-N 3.33Å; Y161-A163 PolarHBondContact O-N 2.58Å; A163-E165 PolarHBondContact O-N 3.27Å; A163-R166 PolarHBondContact O-N 3.11Å; A163-L167 VanDerWaalsContact O-CB 3.27Å; A163-L167 WeakPolarHBondContact O-CB 3.44Å; A163-L167 WeakPolarHBondContact O-CD1 3.4Å; A163-L167 WeakPolarHBondContact O-CG 3.46Å; A163-L167 PolarHBondContact O-N 3.34Å
164A98.9Very high98.9Very high0 Ų038.7 Ų38.70%018%0.178CC..Hα-helixtrans-59-47.717900000111.9M129 V160 Y161 L167 K168 C169 L171 L218M129-A164 HydrophobicContact CE-CB 3.92Å; M129-A164 VanDerWaalsContact SD-CA 3.51Å; M129-A164 HydrophobicContact SD-CB 3.71Å; V160-A164 WeakPolarHBondContact O-CB 3.28Å; V160-A164 PolarHBondContact O-N 2.76Å; Y161-A164 PolarHBondContact O-N 3.27Å; A164-L167 PolarHBondContact O-N 3.49Å; A164-K168 CarbonylContact O-C 3.56Å; A164-K168 WeakPolarHBondContact O-CA 3.15Å; A164-K168 PolarHBondContact O-N 3.1Å; A164-C169 HydrophobicContact CB-CB 4.29Å; A164-C169 PolarHBondContact O-N 3.37Å; A164-L171 HydrophobicContact CB-CD1 4.48Å; A164-L171 HydrophobicContact CB-CD2 3.99Å; A164-L171 HydrophobicContact CB-CG 4.35Å; A164-L218 HydrophobicContact CB-CD1 3.56Å
165E98.9Very high98.9Very high45 Ų4538.2 Ų38.221%0.2118%0.175CC..Hα-helixtrans-61.8-45.6176.7-170.8-179.2-151.300111.9Y161 A163 L167 K168 F215 K217 L218Y161-E165 PolarHBondContact O-N 3.03Å; A163-E165 PolarHBondContact O-N 3.27Å; E165-L167 PolarHBondContact O-N 3.14Å; E165-K168 PolarHBondContact O-N 3.32Å; E165-K168 VanDerWaalsContact O-N 3.17Å; E165-F215 WeakPolarHBondContact OE2-CD1 3.39Å; E165-K217 HydrophobicContact CG-CB 3.86Å; E165-K217 WeakPolarHBondContact OE1-CA 3.4Å; E165-K217 WeakPolarHBondContact OE1-CB 3.48Å; E165-K217 PolarHBondContact OE1-N 2.8Å; E165-L218 HydrophobicContact CB-CD1 4.35Å
166R98.9Very high98.9Very high147 Ų14731.5 Ų31.556%0.55515%0.149SC*.Hα-helixtrans-60-44.2177.3179.4-178.868.9-112.66.9112E130 A162 A163 K168E130-R166 IonicContact OE1-CZ 3.21Å; E130-R166 IonicContact OE1-NH2 2.79Å; E130-R166 PolarHBondContact OE1-NH2 3.38Å; A162-R166 VanDerWaalsContact O-CB 3.31Å; A162-R166 WeakPolarHBondContact O-CB 3.48Å; A162-R166 PolarHBondContact O-N 3.13Å; A162-R166 VanDerWaalsContact O-N 3.08Å; A163-R166 PolarHBondContact O-N 3.11Å; R166-K168 PolarHBondContact O-N 3.22Å
167L98.9Very high98.8Very high21 Ų2131.4 Ų31.411%0.1115%0.152CC..Hα-helixtrans-77.6-11.1-179.3-68168.5000112.7M129 E130 V133 A163 A164 E165 C169M129-L167 HydrophobicContact CG-CD1 3.94Å; M129-L167 HydrophobicContact SD-CD1 4.04Å; E130-L167 HydrophobicContact CB-CD1 4.49Å; E130-L167 HydrophobicContact CG-CD1 3.73Å; E130-L167 HydrophobicContact CG-CD2 4.29Å; V133-L167 HydrophobicContact CG1-CB 4.35Å; V133-L167 HydrophobicContact CG1-CD2 4.49Å; V133-L167 HydrophobicContact CG2-CB 4.38Å; V133-L167 HydrophobicContact CG2-CD1 4.42Å; A163-L167 VanDerWaalsContact O-CB 3.27Å; A163-L167 WeakPolarHBondContact O-CB 3.44Å; A163-L167 WeakPolarHBondContact O-CD1 3.4Å; A163-L167 WeakPolarHBondContact O-CG 3.46Å; A163-L167 PolarHBondContact O-N 3.34Å; A164-L167 PolarHBondContact O-N 3.49Å; E165-L167 PolarHBondContact O-N 3.14Å; L167-C169 HydrophobicContact CB-CB 4.09Å; L167-C169 PolarHBondContact O-N 3.02Å
168K98.9Very high98.7Very high170 Ų17031.7 Ų31.774%0.73915%0.153SC*.THydrogen-bonded Turntrans56.232.6-166.6-53.5173.5-179175.20111.8A164 E165 R166A164-K168 CarbonylContact O-C 3.56Å; A164-K168 WeakPolarHBondContact O-CA 3.15Å; A164-K168 PolarHBondContact O-N 3.1Å; E165-K168 PolarHBondContact O-N 3.32Å; E165-K168 VanDerWaalsContact O-N 3.17Å; R166-K168 PolarHBondContact O-N 3.22Å
169C98.9Very high98.6Very high3 Ų335.3 Ų35.32%0.0217%0.171CC..  trans-80.1120.9176.5-173.40000109M129 V133 A164 L167M129-C169 HydrophobicContact CG-CB 4.33Å; M129-C169 HydrophobicContact SD-CB 4.08Å; V133-C169 HydrophobicContact CG2-CB 3.81Å; A164-C169 HydrophobicContact CB-CB 4.29Å; A164-C169 PolarHBondContact O-N 3.37Å; L167-C169 HydrophobicContact CB-CB 4.09Å; L167-C169 PolarHBondContact O-N 3.02Å
170S98.9Very high98.5Very high0 Ų036.3 Ų36.30%017%0.17CC..EExtended strand (participates in β ladder)trans-80.7142.5178.7-68.10000111.7P139 G140 V141 F327P139-S170 PolarHBondContact O-N 3.37Å; G140-S170 CarbonylContact C-O 3.56Å; G140-S170 WeakPolarHBondContact CA-O 3.31Å; V141-S170 PolarHBondContact N-O 3.38Å; S170-F327 PolarHBondContact OG-O 3.04Å
171L99Very high98.4Very high1 Ų141.2 Ų41.21%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-105.4120.8178.9-53.5-175.3000110.2M129 V141 I143 Y161 A164 L218 K219 V220 C221M129-L171 HydrophobicContact CE-CD2 4.22Å; V141-L171 HydrophobicContact CG2-CD2 3.39Å; I143-L171 HydrophobicContact CD1-CD1 4.43Å; Y161-L171 HydrophobicContact CD1-CD1 3.96Å; Y161-L171 HydrophobicContact CE1-CD1 4.21Å; A164-L171 HydrophobicContact CB-CD1 4.48Å; A164-L171 HydrophobicContact CB-CD2 3.99Å; A164-L171 HydrophobicContact CB-CG 4.35Å; L171-L218 HydrophobicContact CD1-CD1 4.08Å; L171-L218 HydrophobicContact CD1-CD2 4.17Å; L171-L218 HydrophobicContact CD1-CG 4.4Å; L171-L218 HydrophobicContact CG-CD1 4.36Å; L171-K219 PolarHBondContact N-O 2.8Å; L171-V220 HydrophobicContact CB-CG1 4.48Å; L171-V220 HydrophobicContact CB-CG2 4.3Å; L171-V220 HydrophobicContact CD1-CG2 4.37Å; L171-V220 CarbonylContact O-C 3.53Å; L171-V220 WeakPolarHBondContact O-CA 3.37Å; L171-C221 PolarHBondContact O-N 3.04Å
172F99Very high98.4Very high1 Ų144 Ų440%0.00423%0.226CC..EExtended strand (participates in β ladder)trans-99.7114.7166.4-175.2-115.5000109.2H6 L114 V141 Q142 I143 H174 C221 A223H6-F172 HydrophobicContact CB-CE1 4.46Å; H6-F172 HydrophobicContact CB-CZ 3.91Å; H6-F172 AromaticContact CD2-CE1 3.88Å; H6-F172 AromaticContact CD2-CZ 3.91Å; H6-F172 AromaticContact CG-CZ 3.58Å; H6-F172 AromaticContact ND1-CZ 3.71Å; L114-F172 HydrophobicContact CD1-CB 3.98Å; L114-F172 HydrophobicContact CD1-CD1 4.49Å; L114-F172 HydrophobicContact CD1-CG 4.4Å; V141-F172 PolarHBondContact O-N 2.95Å; Q142-F172 CarbonylContact C-O 3.54Å; Q142-F172 VanDerWaalsContact CA-O 3.24Å; Q142-F172 WeakPolarHBondContact CA-O 3.49Å; Q142-F172 HydrophobicContact CB-CD1 4.39Å; Q142-F172 HydrophobicContact CG-CD1 3.89Å; Q142-F172 VanDerWaalsContact OE1-CD1 3.32Å; I143-F172 PolarHBondContact N-O 2.83Å; F172-H174 HydrophobicContact CE1-CB 4.35Å; F172-C221 CarbonylContact C-O 3.53Å; F172-C221 WeakPolarHBondContact CA-O 3.5Å; F172-C221 HydrophobicContact CD2-CB 3.96Å; F172-C221 WeakPolarHBondContact CD2-O 3.37Å; F172-A223 HydrophobicContact CE1-CB 4.39Å; F172-A223 HydrophobicContact CE2-CB 4.22Å; F172-A223 HydrophobicContact CZ-CB 3.68Å
173V99Very high98.3Very high1 Ų152.2 Ų52.21%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-96114.8-177.4-179.90000108.7I143 T145 L152 A202 V220 C221 F222 A223I143-V173 HydrophobicContact CD1-CG2 4.26Å; I143-V173 HydrophobicContact CG1-CG2 4.07Å; I143-V173 WeakPolarHBondContact O-CA 3.3Å; T145-V173 HydrophobicContact CG2-CG1 3.82Å; L152-V173 HydrophobicContact CD1-CG1 3.88Å; L152-V173 HydrophobicContact CD1-CG2 4.11Å; V173-A202 HydrophobicContact CG1-CB 4.33Å; V173-V220 HydrophobicContact CG2-CG1 3.74Å; V173-C221 PolarHBondContact N-O 3.39Å; V173-F222 HydrophobicContact CB-CD1 3.62Å; V173-F222 HydrophobicContact CB-CE1 3.9Å; V173-F222 HydrophobicContact CB-CG 4.46Å; V173-F222 HydrophobicContact CG1-CD1 3.81Å; V173-F222 HydrophobicContact CG1-CE1 3.96Å; V173-F222 HydrophobicContact CG2-CD1 4.14Å; V173-F222 HydrophobicContact CG2-CE1 3.94Å; V173-A223 PolarHBondContact O-N 2.89Å
174H98.9Very high98.3Very high4 Ų453.8 Ų53.82%0.01926%0.257CS..EExtended strand (participates in β ladder)trans-112130.6-178.3-170-62.4000110.8H6 H8 P77 F80 Q142 I143 G144 T145 F172 W176 H224H6-H174 AromaticContact CE1-CD2 3.75Å; H6-H174 AromaticContact CE1-NE2 3.66Å; H6-H174 AromaticContact NE2-CD2 3.2Å; H6-H174 PolarHBondContact NE2-CD2 3.49Å; H6-H174 AromaticContact NE2-NE2 3.18Å; H6-H174 PolarHBondContact NE2-NE2 3.43Å; H6-H174 VanDerWaalsContact NE2-NE2 3.18Å; H8-H174 AromaticContact CE1-CD2 3.64Å; H8-H174 AromaticContact CE1-NE2 3.87Å; H8-H174 AromaticContact NE2-CD2 3.7Å; H8-H174 AromaticContact NE2-NE2 3.48Å; H8-H174 PolarHBondContact NE2-NE2 3.49Å; P77-H174 HydrophobicContact CG-CB 4.47Å; P77-H174 VanDerWaalsContact CG-CE1 3.5Å; P77-H174 WeakPolarHBondContact CG-CE1 3.33Å; P77-H174 VanDerWaalsContact CG-ND1 3.28Å; P77-H174 WeakPolarHBondContact CG-ND1 3.42Å; F80-H174 HydrophobicContact CZ-CB 4.45Å; Q142-H174 HydrophobicContact CG-CB 4.08Å; I143-H174 PolarHBondContact O-N 2.87Å; G144-H174 CarbonylContact C-O 3.46Å; G144-H174 WeakPolarHBondContact CA-O 3.5Å; T145-H174 PolarHBondContact N-O 3.35Å; F172-H174 HydrophobicContact CE1-CB 4.35Å; H174-W176 PolarHBondContact O-N 2.87Å; H174-H224 AromaticContact CE1-CE1 3.97Å; H174-H224 AromaticContact NE2-CE1 3.81Å
175P98.8Very high98.2Very high0 Ų057.1 Ų57.10%028%0.284CS..  trans-66.6131.917828.4-35.3000111.9T145 M195 E198 T199T145-P175 VanDerWaalsContact CG2-CA 3.45Å; T145-P175 HydrophobicContact CG2-CB 3.92Å; P175-M195 HydrophobicContact CB-CB 3.86Å; P175-M195 HydrophobicContact CB-CG 3.93Å; P175-M195 WeakPolarHBondContact CB-O 3.23Å; P175-M195 HydrophobicContact CG-CB 3.64Å; P175-M195 HydrophobicContact CG-CG 3.83Å; P175-M195 HydrophobicContact CG-SD 4.26Å; P175-E198 HydrophobicContact CB-CB 3.84Å; P175-T199 WeakPolarHBondContact CG-OG1 3.35Å
176W97.9Very high98.1Very high36 Ų3659.5 Ų59.514%0.13629%0.293CS..  trans-153.1165.8176.4-173.9-107.9000110.2F46 P77 V78 F80 H146 H174 M178 M195F46-W176 HydrophobicContact CE1-CH2 4.41Å; F46-W176 AromaticContact CE2-CH2 3.83Å; F46-W176 HydrophobicContact CE2-CH2 3.83Å; F46-W176 AromaticContact CZ-CH2 3.47Å; F46-W176 HydrophobicContact CZ-CH2 3.47Å; F46-W176 VanDerWaalsContact CZ-CH2 3.47Å; F46-W176 HydrophobicContact CZ-CZ3 4Å; P77-W176 HydrophobicContact CB-CB 3.85Å; P77-W176 HydrophobicContact CB-CD2 3.75Å; P77-W176 HydrophobicContact CB-CE3 3.72Å; P77-W176 HydrophobicContact CB-CG 3.77Å; V78-W176 HydrophobicContact CB-CH2 3.74Å; V78-W176 HydrophobicContact CB-CZ2 3.58Å; V78-W176 HydrophobicContact CB-CZ3 4.46Å; V78-W176 HydrophobicContact CG2-CH2 3.92Å; V78-W176 HydrophobicContact CG2-CZ2 3.55Å; F80-W176 HydrophobicContact CD2-CB 4.09Å; F80-W176 HydrophobicContact CD2-CG 4.2Å; F80-W176 HydrophobicContact CE2-CB 4.02Å; H146-W176 PolarHBondContact CE1-O 2.83Å; H146-W176 VanDerWaalsContact CE1-O 3.27Å; H174-W176 PolarHBondContact O-N 2.87Å; W176-M178 VanDerWaalsContact C-N 3.27Å; W176-M178 VanDerWaalsContact C-SD 3.59Å; W176-M178 PolarHBondContact O-N 2.86Å; W176-M195 HydrophobicContact CE3-CE 4.31Å
177D96.9Very high98.1Very high88 Ų8861.2 Ų61.247%0.47130%0.301SS..  trans60.732.5176.2-147.636.8000114.5H146H146-D177 IonicContact NE2-OD2 2.76Å
178M97.9Very high98Very high6 Ų665.4 Ų65.43%0.0332%0.316CS..  trans-61.2159.6169.6-48.272.961.200111W176 M180 P190 G194 M195 E198W176-M178 VanDerWaalsContact C-N 3.27Å; W176-M178 VanDerWaalsContact C-SD 3.59Å; W176-M178 PolarHBondContact O-N 2.86Å; M178-M180 WeakPolarHBondContact O-CG 3.36Å; M178-M180 PolarHBondContact O-N 3.13Å; M178-M180 VanDerWaalsContact O-N 3.14Å; M178-P190 HydrophobicContact CB-CB 4.47Å; M178-P190 HydrophobicContact CE-CB 4.14Å; M178-P190 WeakPolarHBondContact CE-O 3.22Å; M178-G194 VanDerWaalsContact CG-C 3.48Å; M178-M195 HydrophobicContact CE-CE 3.65Å; M178-M195 HydrophobicContact CE-CG 3.53Å; M178-M195 HydrophobicContact CE-SD 4.36Å; M178-M195 HydrophobicContact CG-CG 4.22Å; M178-M195 HydrophobicContact SD-CB 4.48Å; M178-M195 HydrophobicContact SD-CE 4.17Å; M178-M195 HydrophobicContact SD-CG 3.46Å; M178-M195 WeakPolarHBondContact SD-CG 3.48Å; M178-E198 HydrophobicContact CG-CG 3.69Å
179Q96.9Very high98Very high115 Ų11559.4 Ų59.454%0.53729%0.291SS..  trans-54.7122.2169.4-176.7175.612.300111.8D181 M184Q179-D181 WeakPolarHBondContact CG-OD1 3.48Å; Q179-D181 PolarHBondContact NE2-OD1 3.18Å; Q179-M184 HydrophobicContact CB-CG 4.14Å; Q179-M184 HydrophobicContact CG-CB 4.32Å; Q179-M184 HydrophobicContact CG-CG 4.1Å; Q179-M184 VanDerWaalsContact O-CB 3.25Å; Q179-M184 WeakPolarHBondContact O-CB 3.29Å
180M95.9Very high98Very high86 Ų8659.5 Ų59.542%0.42429%0.292SS..  trans-102.1-13.7-176.3-63.1-58.2-66.700114.2M178 A185 P190 W191M178-M180 WeakPolarHBondContact O-CG 3.36Å; M178-M180 PolarHBondContact O-N 3.13Å; M178-M180 VanDerWaalsContact O-N 3.14Å; M180-A185 WeakPolarHBondContact O-CA 3.34Å; M180-P190 HydrophobicContact CE-CB 4.32Å; M180-P190 HydrophobicContact CE-CG 4.25Å; M180-P190 HydrophobicContact SD-CB 3.57Å; M180-P190 VanDerWaalsContact SD-CB 3.57Å; M180-P190 HydrophobicContact SD-CG 3.91Å; M180-W191 HydrophobicContact CE-CH2 3.6Å; M180-W191 HydrophobicContact CE-CZ3 3.59Å; M180-W191 HydrophobicContact SD-CZ3 4.49Å
181D96.9Very high97.9Very high104 Ų10461.2 Ų61.256%0.55630%0.298SS*.SBendtrans-115.8-169.4-169.466.96.6000112.9Q179 R183 M184 A185Q179-D181 WeakPolarHBondContact CG-OD1 3.48Å; Q179-D181 PolarHBondContact NE2-OD1 3.18Å; D181-R183 PolarHBondContact O-N 3.15Å; D181-R183 VanDerWaalsContact O-N 3.17Å; D181-M184 WeakPolarHBondContact O-CB 3.33Å; D181-M184 PolarHBondContact O-N 3.38Å; D181-A185 PolarHBondContact O-N 3.38Å
182G98.1Very high97.9Very high59 Ų5965.6 Ų65.661%0.60832%0.321SS*.G310 helixtrans53.9-121.2175.800000113M184G182-M184 VanDerWaalsContact C-N 3.28Å; G182-M184 PolarHBondContact O-N 3.15Å
183R98.3Very high97.9Very high208 Ų20869.2 Ų69.279%0.78534%0.344SS*.G310 helixtrans-67.8-29.7-179.8-74.2172.760.6-151.4-2.1112.7D181 K186D181-R183 PolarHBondContact O-N 3.15Å; D181-R183 VanDerWaalsContact O-N 3.17Å; R183-K186 PolarHBondContact O-NZ 2.95Å
184M98.2Very high97.9Very high35 Ų3569.6 Ų69.617%0.17235%0.347CS..G310 helixtrans-82.8-14.1-175.5-60.7-60-7700112.9Q179 D181 G182 K186 L189 P190 V193Q179-M184 HydrophobicContact CB-CG 4.14Å; Q179-M184 HydrophobicContact CG-CB 4.32Å; Q179-M184 HydrophobicContact CG-CG 4.1Å; Q179-M184 VanDerWaalsContact O-CB 3.25Å; Q179-M184 WeakPolarHBondContact O-CB 3.29Å; D181-M184 WeakPolarHBondContact O-CB 3.33Å; D181-M184 PolarHBondContact O-N 3.38Å; G182-M184 VanDerWaalsContact C-N 3.28Å; G182-M184 PolarHBondContact O-N 3.15Å; M184-K186 PolarHBondContact O-N 3.06Å; M184-L189 HydrophobicContact CE-CB 3.91Å; M184-L189 VanDerWaalsContact CE-O 3.31Å; M184-L189 WeakPolarHBondContact CE-O 3.21Å; M184-L189 HydrophobicContact SD-CB 4.1Å; M184-P190 HydrophobicContact CB-CG 4.27Å; M184-P190 WeakPolarHBondContact O-CD 3.42Å; M184-P190 WeakPolarHBondContact O-CG 3.34Å; M184-V193 HydrophobicContact CE-CB 4.43Å
185A97.4Very high97.9Very high69 Ų6969.9 Ų69.957%0.5735%0.349SS*.SBendtrans-63.8-3-17600000116.5M180 D181M180-A185 WeakPolarHBondContact O-CA 3.34Å; D181-A185 PolarHBondContact O-N 3.38Å
186K96.6Very high97.9Very high95 Ų9571.6 Ų71.641%0.41336%0.36SS..SBendtrans-125.5161.6-172.559.7-177.9179.3-66.90111.8R183 M184 W188 L189R183-K186 PolarHBondContact O-NZ 2.95Å; M184-K186 PolarHBondContact O-N 3.06Å; K186-W188 PolarHBondContact O-N 3.32Å; K186-L189 HydrophobicContact CG-CD1 4.37Å; K186-L189 WeakPolarHBondContact O-CB 3.21Å; K186-L189 WeakPolarHBondContact O-CD1 3.49Å; K186-L189 WeakPolarHBondContact O-CG 3.3Å; K186-L189 PolarHBondContact O-N 2.85Å; K186-L189 VanDerWaalsContact O-N 3.11Å
187Y98.2Very high97.9Very high184 Ų18471.9 Ų71.972%0.72237%0.37SS*.THydrogen-bonded Turntrans5325.8175.6-45.4-52.2000115L189 L192Y187-L189 PolarHBondContact O-N 2.94Å; Y187-L189 VanDerWaalsContact O-N 3.12Å; Y187-L192 WeakPolarHBondContact O-CD1 3.32Å
188W97.3Very high98Very high108 Ų10869.2 Ų69.241%0.40936%0.355SS..THydrogen-bonded Turntrans5823.6-178.1-150.917.3000114.2K186 P190 W191 L192 P295 L296K186-W188 PolarHBondContact O-N 3.32Å; W188-P190 VanDerWaalsContact C-N 3.32Å; W188-P190 WeakPolarHBondContact O-CD 3.48Å; W188-P190 VanDerWaalsContact O-N 3.17Å; W188-W191 AromaticContact CD1-CD2 3.53Å; W188-W191 AromaticContact CD1-CE3 3.03Å; W188-W191 AromaticContact CD1-CG 3.95Å; W188-W191 AromaticContact CD1-CZ3 3.57Å; W188-W191 HydrophobicContact CD2-CB 4.41Å; W188-W191 AromaticContact CE2-CG 3.93Å; W188-W191 HydrophobicContact CG-CB 4.35Å; W188-W191 HydrophobicContact CG-CE3 4.23Å; W188-W191 HydrophobicContact CZ2-CG 4.38Å; W188-W191 AromaticContact NE1-CD2 3.05Å; W188-W191 AromaticContact NE1-CE2 3.7Å; W188-W191 AromaticContact NE1-CE3 3.06Å; W188-W191 AromaticContact NE1-CG 3.38Å; W188-W191 AromaticContact NE1-CZ3 3.61Å; W188-W191 PolarHBondContact O-N 2.96Å; W188-L192 HydrophobicContact CB-CD1 4.29Å; W188-L192 HydrophobicContact CB-CG 4.36Å; W188-L192 HydrophobicContact CE3-CD2 4.47Å; W188-L192 PolarHBondContact O-N 3.09Å; W188-L192 VanDerWaalsContact O-N 3.09Å; W188-P295 HydrophobicContact CH2-CG 4.49Å; W188-L296 HydrophobicContact CH2-CB 4.07Å; W188-L296 HydrophobicContact CH2-CD1 4.39Å; W188-L296 HydrophobicContact CH2-CG 4.33Å; W188-L296 HydrophobicContact CZ2-CD1 4.49Å
189L98.6Very high98.1Very high44 Ų4469 Ų6923%0.2335%0.353CS..Hα-helixtrans-54.7-30.2-177.6-70.2172.9000115.9M184 K186 Y187 W191 L192 V193 G194M184-L189 HydrophobicContact CE-CB 3.91Å; M184-L189 VanDerWaalsContact CE-O 3.31Å; M184-L189 WeakPolarHBondContact CE-O 3.21Å; M184-L189 HydrophobicContact SD-CB 4.1Å; K186-L189 HydrophobicContact CG-CD1 4.37Å; K186-L189 WeakPolarHBondContact O-CB 3.21Å; K186-L189 WeakPolarHBondContact O-CD1 3.49Å; K186-L189 WeakPolarHBondContact O-CG 3.3Å; K186-L189 PolarHBondContact O-N 2.85Å; K186-L189 VanDerWaalsContact O-N 3.11Å; Y187-L189 PolarHBondContact O-N 2.94Å; Y187-L189 VanDerWaalsContact O-N 3.12Å; L189-W191 PolarHBondContact O-N 3.42Å; L189-L192 PolarHBondContact O-N 3.07Å; L189-V193 HydrophobicContact CD2-CG2 3.85Å; L189-V193 PolarHBondContact O-N 2.9Å; L189-G194 PolarHBondContact O-N 2.97Å
190P98.4Very high98.2Very high5 Ų564.3 Ų64.33%0.03233%0.333CS..Iπ-helixtrans-62-33.7177.2-21.134.4000111.5M178 M180 M184 W188 G194 M195M178-P190 HydrophobicContact CB-CB 4.47Å; M178-P190 HydrophobicContact CE-CB 4.14Å; M178-P190 WeakPolarHBondContact CE-O 3.22Å; M180-P190 HydrophobicContact CE-CB 4.32Å; M180-P190 HydrophobicContact CE-CG 4.25Å; M180-P190 HydrophobicContact SD-CB 3.57Å; M180-P190 VanDerWaalsContact SD-CB 3.57Å; M180-P190 HydrophobicContact SD-CG 3.91Å; M184-P190 HydrophobicContact CB-CG 4.27Å; M184-P190 WeakPolarHBondContact O-CD 3.42Å; M184-P190 WeakPolarHBondContact O-CG 3.34Å; W188-P190 VanDerWaalsContact C-N 3.32Å; W188-P190 WeakPolarHBondContact O-CD 3.48Å; W188-P190 VanDerWaalsContact O-N 3.17Å; P190-G194 CarbonylContact O-C 3.6Å; P190-G194 WeakPolarHBondContact O-CA 3.5Å; P190-G194 PolarHBondContact O-N 2.87Å; P190-M195 PolarHBondContact O-N 3.3Å
191W98.4Very high98.3Very high36 Ų3663.7 Ų63.714%0.13633%0.331CS..Iπ-helixtrans-85.2-45.5176.3-73.9-98.4000112.1F46 M180 W188 L189 V193 M195 P196 L296F46-W191 HydrophobicContact CE2-CH2 4.32Å; F46-W191 HydrophobicContact CE2-CZ2 4.18Å; F46-W191 HydrophobicContact CZ-CZ2 4.12Å; M180-W191 HydrophobicContact CE-CH2 3.6Å; M180-W191 HydrophobicContact CE-CZ3 3.59Å; M180-W191 HydrophobicContact SD-CZ3 4.49Å; W188-W191 AromaticContact CD1-CD2 3.53Å; W188-W191 AromaticContact CD1-CE3 3.03Å; W188-W191 AromaticContact CD1-CG 3.95Å; W188-W191 AromaticContact CD1-CZ3 3.57Å; W188-W191 HydrophobicContact CD2-CB 4.41Å; W188-W191 AromaticContact CE2-CG 3.93Å; W188-W191 HydrophobicContact CG-CB 4.35Å; W188-W191 HydrophobicContact CG-CE3 4.23Å; W188-W191 HydrophobicContact CZ2-CG 4.38Å; W188-W191 AromaticContact NE1-CD2 3.05Å; W188-W191 AromaticContact NE1-CE2 3.7Å; W188-W191 AromaticContact NE1-CE3 3.06Å; W188-W191 AromaticContact NE1-CG 3.38Å; W188-W191 AromaticContact NE1-CZ3 3.61Å; W188-W191 PolarHBondContact O-N 2.96Å; L189-W191 PolarHBondContact O-N 3.42Å; W191-V193 PolarHBondContact O-N 3.09Å; W191-M195 HydrophobicContact CB-SD 4.49Å; W191-M195 VanDerWaalsContact CD1-CE 3.43Å; W191-M195 VanDerWaalsContact CD1-SD 3.54Å; W191-M195 HydrophobicContact CG-CE 4.28Å; W191-M195 HydrophobicContact CG-SD 4.21Å; W191-P196 WeakPolarHBondContact O-CD 3.5Å; W191-L296 HydrophobicContact CB-CD1 4Å
192L98.6Very high98.4Very high93 Ų9358.7 Ų58.749%0.48730%0.304SS..Iπ-helixtrans-75.6-23.5-172.7-57.8-177.6000114Y187 W188 L189Y187-L192 WeakPolarHBondContact O-CD1 3.32Å; W188-L192 HydrophobicContact CB-CD1 4.29Å; W188-L192 HydrophobicContact CB-CG 4.36Å; W188-L192 HydrophobicContact CE3-CD2 4.47Å; W188-L192 PolarHBondContact O-N 3.09Å; W188-L192 VanDerWaalsContact O-N 3.09Å; L189-L192 PolarHBondContact O-N 3.07Å
193V98.8Very high98.5Very high78 Ų7855.9 Ų55.947%0.47328%0.275SS..Iπ-helixtrans-129.5-42.6-178.3-1800000111.6M184 L189 W191 P196 A197M184-V193 HydrophobicContact CE-CB 4.43Å; L189-V193 HydrophobicContact CD2-CG2 3.85Å; L189-V193 PolarHBondContact O-N 2.9Å; W191-V193 PolarHBondContact O-N 3.09Å; V193-P196 WeakPolarHBondContact O-CD 3.24Å; V193-A197 WeakPolarHBondContact O-CB 3.4Å; V193-A197 PolarHBondContact O-N 2.76Å; V193-A197 VanDerWaalsContact O-N 3.09Å
194G98.8Very high98.5Very high8 Ų847 Ų478%0.08224%0.244CC..Iπ-helixtrans-60.6-52.6-179.200000112.7M178 L189 P190 A197 E198M178-G194 VanDerWaalsContact CG-C 3.48Å; L189-G194 PolarHBondContact O-N 2.97Å; P190-G194 CarbonylContact O-C 3.6Å; P190-G194 WeakPolarHBondContact O-CA 3.5Å; P190-G194 PolarHBondContact O-N 2.87Å; G194-A197 WeakPolarHBondContact O-CB 3.4Å; G194-A197 PolarHBondContact O-N 2.76Å; G194-A197 VanDerWaalsContact O-N 3.13Å; G194-E198 PolarHBondContact O-N 3.3Å
195M98.8Very high98.5Very high11 Ų1146.1 Ų46.15%0.05424%0.242CC..Hα-helixtrans-60-46.3-179-76.6-175.2169.800113.6P175 W176 M178 P190 W191 A197 E198 T199P175-M195 HydrophobicContact CB-CB 3.86Å; P175-M195 HydrophobicContact CB-CG 3.93Å; P175-M195 WeakPolarHBondContact CB-O 3.23Å; P175-M195 HydrophobicContact CG-CB 3.64Å; P175-M195 HydrophobicContact CG-CG 3.83Å; P175-M195 HydrophobicContact CG-SD 4.26Å; W176-M195 HydrophobicContact CE3-CE 4.31Å; M178-M195 HydrophobicContact CE-CE 3.65Å; M178-M195 HydrophobicContact CE-CG 3.53Å; M178-M195 HydrophobicContact CE-SD 4.36Å; M178-M195 HydrophobicContact CG-CG 4.22Å; M178-M195 HydrophobicContact SD-CB 4.48Å; M178-M195 HydrophobicContact SD-CE 4.17Å; M178-M195 HydrophobicContact SD-CG 3.46Å; M178-M195 WeakPolarHBondContact SD-CG 3.48Å; P190-M195 PolarHBondContact O-N 3.3Å; W191-M195 HydrophobicContact CB-SD 4.49Å; W191-M195 VanDerWaalsContact CD1-CE 3.43Å; W191-M195 VanDerWaalsContact CD1-SD 3.54Å; W191-M195 HydrophobicContact CG-CE 4.28Å; W191-M195 HydrophobicContact CG-SD 4.21Å; M195-A197 VanDerWaalsContact C-N 3.31Å; M195-A197 PolarHBondContact O-N 3.31Å; M195-E198 PolarHBondContact O-N 2.65Å; M195-T199 PolarHBondContact O-N 3.44Å; M195-T199 VanDerWaalsContact O-N 3.09Å; M195-T199 PolarHBondContact O-OG1 3.27Å
196P98.9Very high98.6Very high36 Ų3642.9 Ų42.923%0.23422%0.215CC..Hα-helixtrans-60.9-36.4172.5-27.635.3000114W191 V193 T200 G227W191-P196 WeakPolarHBondContact O-CD 3.5Å; V193-P196 WeakPolarHBondContact O-CD 3.24Å; P196-T200 PolarHBondContact O-N 2.98Å; P196-T200 PolarHBondContact O-OG1 3.29Å; P196-G227 WeakPolarHBondContact O-CA 3.45Å
197A98.9Very high98.7Very high42 Ų4238.5 Ų38.535%0.34720%0.196SC..Hα-helixtrans-67.6-48.6177.200000111.5V193 G194 M195 T199 T200 I201V193-A197 WeakPolarHBondContact O-CB 3.4Å; V193-A197 PolarHBondContact O-N 2.76Å; V193-A197 VanDerWaalsContact O-N 3.09Å; G194-A197 WeakPolarHBondContact O-CB 3.4Å; G194-A197 PolarHBondContact O-N 2.76Å; G194-A197 VanDerWaalsContact O-N 3.13Å; M195-A197 VanDerWaalsContact C-N 3.31Å; M195-A197 PolarHBondContact O-N 3.31Å; A197-T199 VanDerWaalsContact C-N 3.29Å; A197-T199 PolarHBondContact O-N 2.98Å; A197-T200 WeakPolarHBondContact O-CA 3.37Å; A197-T200 WeakPolarHBondContact O-CB 3.44Å; A197-T200 PolarHBondContact O-N 3.32Å; A197-I201 WeakPolarHBondContact O-CG1 3.38Å; A197-I201 PolarHBondContact O-N 2.97Å
198E98.9Very high98.8Very high32 Ų3232 Ų3215%0.1517%0.173CC..Hα-helixtrans-52.8-46174.8-86.2-58.6120.900112.2T145 H146 P175 M178 G194 M195 T200 I201 A202T145-E198 HydrophobicContact CG2-CB 4.19Å; T145-E198 PolarHBondContact OG1-OE2 3.31Å; H146-E198 IonicContact CE1-OE2 3.71Å; H146-E198 IonicContact CG-OE2 3.77Å; H146-E198 IonicContact ND1-OE2 2.65Å; H146-E198 PolarHBondContact ND1-OE2 3.36Å; P175-E198 HydrophobicContact CB-CB 3.84Å; M178-E198 HydrophobicContact CG-CG 3.69Å; G194-E198 PolarHBondContact O-N 3.3Å; M195-E198 PolarHBondContact O-N 2.65Å; E198-T200 VanDerWaalsContact C-N 3.29Å; E198-T200 PolarHBondContact O-N 3.06Å; E198-I201 WeakPolarHBondContact O-CB 3.46Å; E198-I201 PolarHBondContact O-N 2.95Å; E198-A202 PolarHBondContact O-N 2.91Å
199T98.9Very high98.8Very high0 Ų027.1 Ų27.10%016%0.156CC..Hα-helixtrans-63.8-38.5178.9-52.90000111.5P175 M195 A197 A202 I203 F222P175-T199 WeakPolarHBondContact CG-OG1 3.35Å; M195-T199 PolarHBondContact O-N 3.44Å; M195-T199 VanDerWaalsContact O-N 3.09Å; M195-T199 PolarHBondContact O-OG1 3.27Å; A197-T199 VanDerWaalsContact C-N 3.29Å; A197-T199 PolarHBondContact O-N 2.98Å; T199-A202 PolarHBondContact O-N 3.01Å; T199-I203 HydrophobicContact CG2-CD1 4.22Å; T199-I203 WeakPolarHBondContact O-CG1 3.36Å; T199-I203 PolarHBondContact O-N 2.91Å; T199-F222 HydrophobicContact CG2-CB 3.82Å; T199-F222 HydrophobicContact CG2-CD1 4.28Å; T199-F222 HydrophobicContact CG2-CG 4.42Å
200T98.9Very high98.8Very high18 Ų1825.1 Ų25.111%0.1115%0.146CC..Hα-helixtrans-66.7-39.4177-51.80000111.2P196 A197 E198 C204 A228 F229 I236P196-T200 PolarHBondContact O-N 2.98Å; P196-T200 PolarHBondContact O-OG1 3.29Å; A197-T200 WeakPolarHBondContact O-CA 3.37Å; A197-T200 WeakPolarHBondContact O-CB 3.44Å; A197-T200 PolarHBondContact O-N 3.32Å; E198-T200 VanDerWaalsContact C-N 3.29Å; E198-T200 PolarHBondContact O-N 3.06Å; T200-C204 WeakPolarHBondContact O-CB 3.27Å; T200-C204 PolarHBondContact O-N 2.83Å; T200-C204 PolarHBondContact O-SG 2.81Å; T200-A228 PolarHBondContact OG1-N 2.87Å; T200-F229 HydrophobicContact CG2-CB 4.2Å; T200-F229 PolarHBondContact OG1-N 3.04Å; T200-I236 HydrophobicContact CG2-CD1 4.27Å
201I98.9Very high98.9Very high72 Ų7224.9 Ų24.937%0.36914%0.144SC..Hα-helixtrans-61.8-51.8174.6-67.7164.9000109.3D151 A197 E198 I203 C204 S205D151-I201 VanDerWaalsContact OD1-CG2 3.27Å; D151-I201 WeakPolarHBondContact OD1-CG2 3.45Å; A197-I201 WeakPolarHBondContact O-CG1 3.38Å; A197-I201 PolarHBondContact O-N 2.97Å; E198-I201 WeakPolarHBondContact O-CB 3.46Å; E198-I201 PolarHBondContact O-N 2.95Å; I201-I203 PolarHBondContact O-N 3.16Å; I201-C204 CarbonylContact O-C 3.4Å; I201-C204 WeakPolarHBondContact O-CA 3.49Å; I201-C204 WeakPolarHBondContact O-CB 3.46Å; I201-C204 PolarHBondContact O-N 3.36Å; I201-S205 WeakPolarHBondContact O-CB 3.36Å; I201-S205 PolarHBondContact O-N 3.1Å; I201-S205 PolarHBondContact O-OG 3.05Å
202A98.9Very high98.9Very high0 Ų023.6 Ų23.60%014%0.14CC..Hα-helixtrans-56.1-45.4179.300000113.1T145 L152 V173 E198 T199 S205 M206 F222T145-A202 HydrophobicContact CG2-CB 3.81Å; L152-A202 HydrophobicContact CD1-CB 3.97Å; L152-A202 HydrophobicContact CG-CB 4.48Å; V173-A202 HydrophobicContact CG1-CB 4.33Å; E198-A202 PolarHBondContact O-N 2.91Å; T199-A202 PolarHBondContact O-N 3.01Å; A202-S205 PolarHBondContact O-N 2.95Å; A202-M206 WeakPolarHBondContact O-CG 3.28Å; A202-M206 PolarHBondContact O-N 3.25Å; A202-F222 HydrophobicContact CB-CE1 4.18Å
203I98.9Very high98.9Very high0 Ų024.2 Ų24.20%014%0.14CC..Hα-helixtrans-60.5-47.8175.2-67.7166.1000110.7T199 I201 S205 M206 I207 F222 F229 F262T199-I203 HydrophobicContact CG2-CD1 4.22Å; T199-I203 WeakPolarHBondContact O-CG1 3.36Å; T199-I203 PolarHBondContact O-N 2.91Å; I201-I203 PolarHBondContact O-N 3.16Å; I203-S205 PolarHBondContact O-N 3.24Å; I203-M206 PolarHBondContact O-N 3.4Å; I203-I207 HydrophobicContact CG2-CD1 3.68Å; I203-I207 HydrophobicContact CG2-CG1 4.46Å; I203-I207 WeakPolarHBondContact O-CB 3.08Å; I203-I207 VanDerWaalsContact O-CG1 3.29Å; I203-I207 WeakPolarHBondContact O-CG1 3.39Å; I203-I207 PolarHBondContact O-N 2.86Å; I203-F222 HydrophobicContact CB-CZ 4.44Å; I203-F222 HydrophobicContact CD1-CB 4.24Å; I203-F222 HydrophobicContact CD1-CD1 4.32Å; I203-F222 HydrophobicContact CD1-CD2 4.08Å; I203-F222 HydrophobicContact CD1-CG 3.96Å; I203-F222 HydrophobicContact CG1-CB 4.44Å; I203-F222 HydrophobicContact CG1-CD1 3.63Å; I203-F222 HydrophobicContact CG1-CD2 3.67Å; I203-F222 HydrophobicContact CG1-CE1 3.65Å; I203-F222 HydrophobicContact CG1-CE2 3.68Å; I203-F222 HydrophobicContact CG1-CG 3.64Å; I203-F222 HydrophobicContact CG1-CZ 3.66Å; I203-F229 HydrophobicContact CB-CD2 4.15Å; I203-F229 HydrophobicContact CB-CG 4.39Å; I203-F229 HydrophobicContact CD1-CB 3.75Å; I203-F229 HydrophobicContact CD1-CD1 4.4Å; I203-F229 HydrophobicContact CD1-CG 4.03Å; I203-F229 HydrophobicContact CG2-CD1 4.1Å; I203-F229 HydrophobicContact CG2-CD2 3.49Å; I203-F229 VanDerWaalsContact CG2-CD2 3.49Å; I203-F229 HydrophobicContact CG2-CE1 4.12Å; I203-F229 HydrophobicContact CG2-CE2 3.51Å; I203-F229 HydrophobicContact CG2-CG 3.79Å; I203-F229 HydrophobicContact CG2-CZ 3.83Å; I203-F262 HydrophobicContact CD1-CE2 4.32Å; I203-F262 HydrophobicContact CG2-CE1 4.24Å; I203-F262 HydrophobicContact CG2-CE2 4.48Å; I203-F262 HydrophobicContact CG2-CZ 3.86Å
204C98.9Very high98.9Very high21 Ų2125.1 Ų25.114%0.14214%0.138CC..Hα-helixtrans-58.8-46.4177.9-740000111.9T200 I201 I207 M208T200-C204 WeakPolarHBondContact O-CB 3.27Å; T200-C204 PolarHBondContact O-N 2.83Å; T200-C204 PolarHBondContact O-SG 2.81Å; I201-C204 CarbonylContact O-C 3.4Å; I201-C204 WeakPolarHBondContact O-CA 3.49Å; I201-C204 WeakPolarHBondContact O-CB 3.46Å; I201-C204 PolarHBondContact O-N 3.36Å; C204-I207 PolarHBondContact O-N 3.15Å; C204-M208 HydrophobicContact CB-CE 3.71Å; C204-M208 WeakPolarHBondContact O-CB 3.42Å; C204-M208 PolarHBondContact O-N 3.42Å
205S98.9Very high98.9Very high17 Ų1725.8 Ų25.812%0.11914%0.138CC..Hα-helixtrans-61.6-50.3179.5-61.50000110.9D151 N153 I201 A202 I203 I207 G209D151-S205 PolarHBondContact OD1-OG 3.25Å; N153-S205 WeakPolarHBondContact CB-O 3.29Å; I201-S205 WeakPolarHBondContact O-CB 3.36Å; I201-S205 PolarHBondContact O-N 3.1Å; I201-S205 PolarHBondContact O-OG 3.05Å; A202-S205 PolarHBondContact O-N 2.95Å; I203-S205 PolarHBondContact O-N 3.24Å; S205-I207 VanDerWaalsContact C-N 3.34Å; S205-I207 PolarHBondContact O-N 2.92Å; S205-G209 WeakPolarHBondContact O-CA 3.34Å; S205-G209 PolarHBondContact O-N 3.43Å
206M98.9Very high98.9Very high1 Ų129.9 Ų29.91%0.00517%0.166CC..Hα-helixtrans-61.8-39.6178.5-69.7-168.374.900113.1L152 A202 I203 G210 V211 F212 L218 V220 F222L152-M206 HydrophobicContact CB-CG 3.46Å; L152-M206 VanDerWaalsContact CB-CG 3.46Å; L152-M206 HydrophobicContact CB-SD 4.19Å; L152-M206 HydrophobicContact CD1-CG 4.02Å; L152-M206 HydrophobicContact CD1-SD 3.74Å; L152-M206 HydrophobicContact CG-CG 4.4Å; A202-M206 WeakPolarHBondContact O-CG 3.28Å; A202-M206 PolarHBondContact O-N 3.25Å; I203-M206 PolarHBondContact O-N 3.4Å; M206-G210 PolarHBondContact O-N 3.49Å; M206-V211 HydrophobicContact CB-CB 4.26Å; M206-V211 HydrophobicContact CB-CG2 4.36Å; M206-V211 HydrophobicContact CE-CB 4.07Å; M206-V211 HydrophobicContact CE-CG1 3.54Å; M206-V211 HydrophobicContact CG-CG2 4.48Å; M206-V211 WeakPolarHBondContact O-CB 3.36Å; M206-V211 PolarHBondContact O-N 3.44Å; M206-F212 HydrophobicContact CB-CD2 4.24Å; M206-F212 HydrophobicContact CB-CE2 3.62Å; M206-F212 HydrophobicContact CB-CZ 4.07Å; M206-F212 HydrophobicContact CE-CE1 4.03Å; M206-F212 HydrophobicContact CE-CE2 4.49Å; M206-F212 HydrophobicContact CE-CZ 3.88Å; M206-F212 HydrophobicContact SD-CZ 4.08Å; M206-L218 HydrophobicContact CE-CD2 4.32Å; M206-V220 HydrophobicContact CE-CG2 4.03Å; M206-V220 HydrophobicContact SD-CG1 4.25Å; M206-F222 HydrophobicContact SD-CE1 4.09Å; M206-F222 HydrophobicContact SD-CZ 3.64Å
207I98.9Very high98.9Very high2 Ų236.3 Ų36.31%0.0119%0.19CC..Hα-helixtrans-67.3-57.9177.8-72.1172.8000111I203 C204 S205 G209 G210 F212 F229 N251 P255 Y258 F262I203-I207 HydrophobicContact CG2-CD1 3.68Å; I203-I207 HydrophobicContact CG2-CG1 4.46Å; I203-I207 WeakPolarHBondContact O-CB 3.08Å; I203-I207 VanDerWaalsContact O-CG1 3.29Å; I203-I207 WeakPolarHBondContact O-CG1 3.39Å; I203-I207 PolarHBondContact O-N 2.86Å; C204-I207 PolarHBondContact O-N 3.15Å; S205-I207 VanDerWaalsContact C-N 3.34Å; S205-I207 PolarHBondContact O-N 2.92Å; I207-G209 VanDerWaalsContact C-N 3.34Å; I207-G209 PolarHBondContact O-N 2.92Å; I207-G210 WeakPolarHBondContact O-CA 3.28Å; I207-G210 PolarHBondContact O-N 2.95Å; I207-F212 HydrophobicContact CG1-CD2 3.9Å; I207-F212 HydrophobicContact CG1-CE2 3.97Å; I207-F229 HydrophobicContact CD1-CE2 4.14Å; I207-F229 HydrophobicContact CD1-CZ 3.9Å; I207-N251 PolarHBondContact O-ND2 2.92Å; I207-P255 HydrophobicContact CG2-CB 3.87Å; I207-P255 HydrophobicContact CG2-CG 3.96Å; I207-Y258 HydrophobicContact CB-CD2 4.5Å; I207-Y258 HydrophobicContact CG1-CD2 4.4Å; I207-Y258 HydrophobicContact CG1-CG 4.34Å; I207-Y258 HydrophobicContact CG2-CD2 3.58Å; I207-Y258 HydrophobicContact CG2-CE2 3.99Å; I207-Y258 HydrophobicContact CG2-CG 4.33Å; I207-F262 HydrophobicContact CD1-CE1 4.11Å
208M98.9Very high98.9Very high48 Ų4834.7 Ų34.724%0.23618%0.175CC..Hα-helixtrans-75.7-24-173.1-66.6-175.8-71.100112.6C204 G210 F240 C247 N251 P255C204-M208 HydrophobicContact CB-CE 3.71Å; C204-M208 WeakPolarHBondContact O-CB 3.42Å; C204-M208 PolarHBondContact O-N 3.42Å; M208-G210 PolarHBondContact O-N 3.47Å; M208-F240 HydrophobicContact CG-CD2 4.16Å; M208-F240 HydrophobicContact CG-CE2 4.27Å; M208-F240 HydrophobicContact SD-CD2 4.05Å; M208-C247 HydrophobicContact SD-CB 3.95Å; M208-N251 WeakPolarHBondContact O-CB 3.16Å; M208-N251 PolarHBondContact O-N 2.52Å; M208-P255 HydrophobicContact CG-CG 4.38Å
209G98.9Very high98.9Very high6 Ų636.4 Ų36.46%0.06218%0.182CC..THydrogen-bonded Turntrans-71.6-9.6166.100000114.2S205 I207 K214S205-G209 WeakPolarHBondContact O-CA 3.34Å; S205-G209 PolarHBondContact O-N 3.43Å; I207-G209 VanDerWaalsContact C-N 3.34Å; I207-G209 PolarHBondContact O-N 2.92Å; G209-K214 PolarHBondContact O-NZ 3.38Å
210G98.8Very high98.9Very high1 Ų136.4 Ų36.41%0.0118%0.182CC..THydrogen-bonded Turntrans66.435.6179.600000113M206 I207 M208 K214M206-G210 PolarHBondContact O-N 3.49Å; I207-G210 WeakPolarHBondContact O-CA 3.28Å; I207-G210 PolarHBondContact O-N 2.95Å; M208-G210 PolarHBondContact O-N 3.47Å; G210-K214 VanDerWaalsContact O-CG 3.26Å; G210-K214 WeakPolarHBondContact O-CG 3.48Å; G210-K214 PolarHBondContact O-N 2.94Å; G210-K214 VanDerWaalsContact O-N 3.16Å; G210-K214 PolarHBondContact O-NZ 3.15Å; G210-K214 VanDerWaalsContact O-NZ 3.13Å
211V98.9Very high98.9Very high0 Ų035.5 Ų35.50%018%0.177CC..Hα-helixtrans-66.8-49.7175.1-179.30000109.4L152 F158 Y161 M206 E213 K214 F215 L218L152-V211 WeakPolarHBondContact O-CG2 3.37Å; F158-V211 HydrophobicContact CE1-CG2 4.27Å; Y161-V211 HydrophobicContact CD1-CG1 4.49Å; Y161-V211 HydrophobicContact CD2-CG1 3.6Å; Y161-V211 HydrophobicContact CD2-CG2 4.36Å; Y161-V211 HydrophobicContact CE2-CG1 3.88Å; Y161-V211 HydrophobicContact CE2-CG2 4.02Å; Y161-V211 HydrophobicContact CG-CG1 3.97Å; M206-V211 HydrophobicContact CB-CB 4.26Å; M206-V211 HydrophobicContact CB-CG2 4.36Å; M206-V211 HydrophobicContact CE-CB 4.07Å; M206-V211 HydrophobicContact CE-CG1 3.54Å; M206-V211 HydrophobicContact CG-CG2 4.48Å; M206-V211 WeakPolarHBondContact O-CB 3.36Å; M206-V211 PolarHBondContact O-N 3.44Å; V211-E213 PolarHBondContact O-N 2.96Å; V211-K214 PolarHBondContact O-N 3.22Å; V211-F215 HydrophobicContact CG1-CD2 3.92Å; V211-F215 WeakPolarHBondContact O-CD2 3.41Å; V211-F215 PolarHBondContact O-N 2.92Å; V211-L218 HydrophobicContact CG1-CD2 4.19Å
212F98.9Very high98.9Very high10 Ų1032.1 Ų32.14%0.04416%0.16CC..Hα-helixtrans-64.9-25.7176.9-61.3-60.6000113.4M206 I207 P216 V220 F222 Y258 F262M206-F212 HydrophobicContact CB-CD2 4.24Å; M206-F212 HydrophobicContact CB-CE2 3.62Å; M206-F212 HydrophobicContact CB-CZ 4.07Å; M206-F212 HydrophobicContact CE-CE1 4.03Å; M206-F212 HydrophobicContact CE-CE2 4.49Å; M206-F212 HydrophobicContact CE-CZ 3.88Å; M206-F212 HydrophobicContact SD-CZ 4.08Å; I207-F212 HydrophobicContact CG1-CD2 3.9Å; I207-F212 HydrophobicContact CG1-CE2 3.97Å; F212-P216 WeakPolarHBondContact O-CA 3.3Å; F212-V220 HydrophobicContact CE1-CB 4.02Å; F212-V220 HydrophobicContact CE1-CG2 3.8Å; F212-V220 HydrophobicContact CZ-CB 4.32Å; F212-V220 HydrophobicContact CZ-CG2 4.41Å; F212-F222 HydrophobicContact CZ-CE2 4.16Å; F212-F222 HydrophobicContact CZ-CZ 4.21Å; F212-Y258 HydrophobicContact CB-CD1 3.75Å; F212-Y258 HydrophobicContact CB-CE1 3.91Å; F212-F262 HydrophobicContact CE1-CB 4.13Å; F212-F262 HydrophobicContact CE2-CD1 4.11Å; F212-F262 HydrophobicContact CZ-CB 3.96Å; F212-F262 HydrophobicContact CZ-CD1 4.16Å; F212-F262 HydrophobicContact CZ-CG 4.32Å
213E98.6Very high98.9Very high106 Ų10632.1 Ų32.150%0.49516%0.16SC..Hα-helixtrans-71.6-41.2174.9-165.564.2-160.500111.7V211 Y258V211-E213 PolarHBondContact O-N 2.96Å; E213-Y258 PolarHBondContact OE2-OH 3.17Å
214K98.8Very high98.9Very high96 Ų9633.1 Ų33.142%0.41716%0.164SC..Hα-helixtrans-81.3-29.5-177.7-66.2174-16781.10112.7F158 G209 G210 V211 P216F158-K214 HydrophobicContact CD2-CD 4.14Å; F158-K214 HydrophobicContact CE2-CD 3.41Å; F158-K214 VanDerWaalsContact CE2-CD 3.41Å; F158-K214 HydrophobicContact CZ-CD 4.08Å; G209-K214 PolarHBondContact O-NZ 3.38Å; G210-K214 VanDerWaalsContact O-CG 3.26Å; G210-K214 WeakPolarHBondContact O-CG 3.48Å; G210-K214 PolarHBondContact O-N 2.94Å; G210-K214 VanDerWaalsContact O-N 3.16Å; G210-K214 PolarHBondContact O-NZ 3.15Å; G210-K214 VanDerWaalsContact O-NZ 3.13Å; V211-K214 PolarHBondContact O-N 3.22Å; K214-P216 VanDerWaalsContact C-CD 3.47Å; K214-P216 WeakPolarHBondContact O-CD 3.11Å
215F98.9Very high98.9Very high22 Ų2232.1 Ų32.110%0.09616%0.158CC..  trans-12567.5-176.7-51.8-72.4000110.8F158 Y161 A162 E165 V211 K217 L218F158-F215 HydrophobicContact CB-CE2 4.33Å; F158-F215 HydrophobicContact CB-CZ 4.11Å; F158-F215 HydrophobicContact CD2-CE2 4.27Å; F158-F215 HydrophobicContact CD2-CZ 4.38Å; F158-F215 HydrophobicContact CG-CE2 4.13Å; F158-F215 HydrophobicContact CG-CZ 4.32Å; Y161-F215 HydrophobicContact CD2-CD2 4.37Å; Y161-F215 HydrophobicContact CD2-CE2 4.05Å; Y161-F215 HydrophobicContact CG-CD2 4.39Å; Y161-F215 HydrophobicContact CG-CE2 4.34Å; A162-F215 HydrophobicContact CB-CD1 4.48Å; A162-F215 HydrophobicContact CB-CE1 3.68Å; A162-F215 HydrophobicContact CB-CZ 4.3Å; E165-F215 WeakPolarHBondContact OE2-CD1 3.39Å; V211-F215 HydrophobicContact CG1-CD2 3.92Å; V211-F215 WeakPolarHBondContact O-CD2 3.41Å; V211-F215 PolarHBondContact O-N 2.92Å; F215-K217 PolarHBondContact O-N 2.92Å; F215-K217 VanDerWaalsContact O-N 3.16Å; F215-L218 HydrophobicContact CB-CB 3.89Å; F215-L218 HydrophobicContact CB-CD2 4.38Å; F215-L218 WeakPolarHBondContact O-CB 3.49Å; F215-L218 PolarHBondContact O-N 2.97Å
216P98.7Very high98.9Very high98 Ų9831.3 Ų31.364%0.63615%0.152SC*.THydrogen-bonded Turntrans-68.8-14-168.928.4-37.1000114.7F212 K214F212-P216 WeakPolarHBondContact O-CA 3.3Å; K214-P216 VanDerWaalsContact C-CD 3.47Å; K214-P216 WeakPolarHBondContact O-CD 3.11Å
217K98.9Very high98.9Very high171 Ų17132.3 Ų32.374%0.74316%0.162SC*.THydrogen-bonded Turntrans-102.21.4174.9-51.6174.2-179.9171.20112.6E165 F215 K219E165-K217 HydrophobicContact CG-CB 3.86Å; E165-K217 WeakPolarHBondContact OE1-CA 3.4Å; E165-K217 WeakPolarHBondContact OE1-CB 3.48Å; E165-K217 PolarHBondContact OE1-N 2.8Å; F215-K217 PolarHBondContact O-N 2.92Å; F215-K217 VanDerWaalsContact O-N 3.16Å; K217-K219 PolarHBondContact O-N 2.81Å
218L98.9Very high98.9Very high7 Ų734 Ų344%0.03718%0.177CC..  trans-63.5128.2175-172.368.7000109.6Y161 A164 E165 L171 M206 V211 F215 V220Y161-L218 HydrophobicContact CD1-CD2 4.1Å; Y161-L218 HydrophobicContact CG-CD2 4.28Å; A164-L218 HydrophobicContact CB-CD1 3.56Å; E165-L218 HydrophobicContact CB-CD1 4.35Å; L171-L218 HydrophobicContact CD1-CD1 4.08Å; L171-L218 HydrophobicContact CD1-CD2 4.17Å; L171-L218 HydrophobicContact CD1-CG 4.4Å; L171-L218 HydrophobicContact CG-CD1 4.36Å; M206-L218 HydrophobicContact CE-CD2 4.32Å; V211-L218 HydrophobicContact CG1-CD2 4.19Å; F215-L218 HydrophobicContact CB-CB 3.89Å; F215-L218 HydrophobicContact CB-CD2 4.38Å; F215-L218 WeakPolarHBondContact O-CB 3.49Å; F215-L218 PolarHBondContact O-N 2.97Å; L218-V220 HydrophobicContact CD2-CG2 3.78Å; L218-V220 HydrophobicContact CG-CG2 3.79Å
219K98.9Very high98.9Very high68 Ų6831.8 Ų31.830%0.29617%0.166SC..  trans-99.4116.4177.6-64.6-175.1-175.5175.80109.6L171 K217 A326 F327L171-K219 PolarHBondContact N-O 2.8Å; K217-K219 PolarHBondContact O-N 2.81Å; K219-A326 PolarHBondContact NZ-O 3.47Å; K219-F327 HydrophobicContact CB-CD2 4.1Å; K219-F327 HydrophobicContact CB-CE2 4.17Å; K219-F327 WeakPolarHBondContact CD-O 3.32Å; K219-F327 PolarHBondContact NZ-O 2.96Å
220V99Very high98.9Very high0 Ų032 Ų320%017%0.167CC..EExtended strand (participates in β ladder)trans-126133.9-179.1-172.80000109.5L171 V173 M206 F212 L218 F222 Y263L171-V220 HydrophobicContact CB-CG1 4.48Å; L171-V220 HydrophobicContact CB-CG2 4.3Å; L171-V220 HydrophobicContact CD1-CG2 4.37Å; L171-V220 CarbonylContact O-C 3.53Å; L171-V220 WeakPolarHBondContact O-CA 3.37Å; V173-V220 HydrophobicContact CG2-CG1 3.74Å; M206-V220 HydrophobicContact CE-CG2 4.03Å; M206-V220 HydrophobicContact SD-CG1 4.25Å; F212-V220 HydrophobicContact CE1-CB 4.02Å; F212-V220 HydrophobicContact CE1-CG2 3.8Å; F212-V220 HydrophobicContact CZ-CB 4.32Å; F212-V220 HydrophobicContact CZ-CG2 4.41Å; L218-V220 HydrophobicContact CD2-CG2 3.78Å; L218-V220 HydrophobicContact CG-CG2 3.79Å; V220-F222 HydrophobicContact CB-CE2 4.43Å; V220-F222 HydrophobicContact CG1-CD2 4.27Å; V220-F222 HydrophobicContact CG1-CE1 4.25Å; V220-F222 HydrophobicContact CG1-CE2 3.69Å; V220-F222 HydrophobicContact CG1-CZ 3.69Å; V220-Y263 PolarHBondContact O-N 3.44Å
221C99Very high98.9Very high0 Ų040.1 Ų40.10%020%0.202CC..EExtended strand (participates in β ladder)trans-122.8129.3172.7-176.80000109.3L171 F172 V173 Y263 T264 F327L171-C221 PolarHBondContact O-N 3.04Å; F172-C221 CarbonylContact C-O 3.53Å; F172-C221 WeakPolarHBondContact CA-O 3.5Å; F172-C221 HydrophobicContact CD2-CB 3.96Å; F172-C221 WeakPolarHBondContact CD2-O 3.37Å; V173-C221 PolarHBondContact N-O 3.39Å; C221-Y263 VanDerWaalsContact CA-O 3.29Å; C221-Y263 WeakPolarHBondContact CA-O 3.48Å; C221-T264 VanDerWaalsContact SG-C 3.53Å; C221-F327 HydrophobicContact CB-CD1 4.49Å; C221-F327 HydrophobicContact CB-CD2 4.14Å; C221-F327 HydrophobicContact CB-CE1 3.95Å; C221-F327 HydrophobicContact CB-CE2 3.54Å; C221-F327 HydrophobicContact CB-CZ 3.43Å; C221-F327 VanDerWaalsContact CB-CZ 3.43Å
222F99Very high98.9Very high0 Ų042.1 Ų42.10%021%0.214CC..EExtended strand (participates in β ladder)trans-101.2137.7177.2-62.2-88.9000111.1V173 T199 A202 I203 M206 F212 V220 F262 Y263 T264 D265V173-F222 HydrophobicContact CB-CD1 3.62Å; V173-F222 HydrophobicContact CB-CE1 3.9Å; V173-F222 HydrophobicContact CB-CG 4.46Å; V173-F222 HydrophobicContact CG1-CD1 3.81Å; V173-F222 HydrophobicContact CG1-CE1 3.96Å; V173-F222 HydrophobicContact CG2-CD1 4.14Å; V173-F222 HydrophobicContact CG2-CE1 3.94Å; T199-F222 HydrophobicContact CG2-CB 3.82Å; T199-F222 HydrophobicContact CG2-CD1 4.28Å; T199-F222 HydrophobicContact CG2-CG 4.42Å; A202-F222 HydrophobicContact CB-CE1 4.18Å; I203-F222 HydrophobicContact CB-CZ 4.44Å; I203-F222 HydrophobicContact CD1-CB 4.24Å; I203-F222 HydrophobicContact CD1-CD1 4.32Å; I203-F222 HydrophobicContact CD1-CD2 4.08Å; I203-F222 HydrophobicContact CD1-CG 3.96Å; I203-F222 HydrophobicContact CG1-CB 4.44Å; I203-F222 HydrophobicContact CG1-CD1 3.63Å; I203-F222 HydrophobicContact CG1-CD2 3.67Å; I203-F222 HydrophobicContact CG1-CE1 3.65Å; I203-F222 HydrophobicContact CG1-CE2 3.68Å; I203-F222 HydrophobicContact CG1-CG 3.64Å; I203-F222 HydrophobicContact CG1-CZ 3.66Å; M206-F222 HydrophobicContact SD-CE1 4.09Å; M206-F222 HydrophobicContact SD-CZ 3.64Å; F212-F222 HydrophobicContact CZ-CE2 4.16Å; F212-F222 HydrophobicContact CZ-CZ 4.21Å; V220-F222 HydrophobicContact CB-CE2 4.43Å; V220-F222 HydrophobicContact CG1-CD2 4.27Å; V220-F222 HydrophobicContact CG1-CE1 4.25Å; V220-F222 HydrophobicContact CG1-CE2 3.69Å; V220-F222 HydrophobicContact CG1-CZ 3.69Å; F222-F262 AromaticContact CD2-CD2 3.62Å; F222-F262 HydrophobicContact CD2-CD2 3.62Å; F222-F262 HydrophobicContact CD2-CE2 4.11Å; F222-F262 HydrophobicContact CD2-CG 4.24Å; F222-F262 HydrophobicContact CE2-CB 4.06Å; F222-F262 AromaticContact CE2-CD2 3.71Å; F222-F262 HydrophobicContact CE2-CD2 3.71Å; F222-F262 HydrophobicContact CE2-CE2 4.29Å; F222-F262 AromaticContact CE2-CG 3.87Å; F222-F262 HydrophobicContact CE2-CG 3.87Å; F222-Y263 PolarHBondContact N-O 3.4Å; F222-T264 HydrophobicContact CB-CG2 4.46Å; F222-T264 CarbonylContact O-C 3.57Å; F222-T264 VanDerWaalsContact O-CA 3.24Å; F222-T264 WeakPolarHBondContact O-CA 3.48Å; F222-D265 PolarHBondContact O-N 3.42Å
223A98.9Very high98.9Very high0 Ų042.1 Ų42.10%022%0.215CC..SBendtrans-65.7163.517700000113F172 V173 G225 G226 D265F172-A223 HydrophobicContact CE1-CB 4.39Å; F172-A223 HydrophobicContact CE2-CB 4.22Å; F172-A223 HydrophobicContact CZ-CB 3.68Å; V173-A223 PolarHBondContact O-N 2.89Å; A223-G225 PolarHBondContact O-N 3.11Å; A223-G226 PolarHBondContact O-N 2.93Å; A223-D265 VanDerWaalsContact CA-OD2 3.31Å; A223-D265 WeakPolarHBondContact CA-OD2 3.2Å
224H98.9Very high98.9Very high21 Ų2139 Ų3910%0.09721%0.211CC..G310 helixtrans53.544.8171.4-47.8116.4000114.2H6 H174 G226 G227 D265H6-H224 AromaticContact CE1-CE1 3.89Å; H6-H224 AromaticContact CE1-NE2 3.49Å; H6-H224 PolarHBondContact CE1-NE2 3.02Å; H174-H224 AromaticContact CE1-CE1 3.97Å; H174-H224 AromaticContact NE2-CE1 3.81Å; H224-G226 PolarHBondContact O-N 3.01Å; H224-G226 VanDerWaalsContact O-N 3.15Å; H224-G227 PolarHBondContact O-N 3.15Å; H224-D265 VanDerWaalsContact CA-OD1 3.24Å; H224-D265 WeakPolarHBondContact CA-OD1 3.12Å; H224-D265 PolarHBondContact N-OD1 3.19Å; H224-D265 PolarHBondContact N-OD2 3.21Å
225G98.9Very high98.9Very high1 Ų144.5 Ų44.51%0.0123%0.229CC..G310 helixtrans63.918.5-179.100000114.9A223 G227 P230 D265 L277A223-G225 PolarHBondContact O-N 3.11Å; G225-G227 VanDerWaalsContact C-N 3.33Å; G225-P230 WeakPolarHBondContact O-CG 3.38Å; G225-D265 WeakPolarHBondContact CA-O 3.18Å; G225-D265 PolarHBondContact N-OD1 3.41Å; G225-L277 WeakPolarHBondContact O-CD1 3.47Å
226G98.9Very high98.9Very high0 Ų045 Ų450%023%0.232CC..G310 helixtrans76.421.4-172.200000113.4A223 H224 A228 F229A223-G226 PolarHBondContact O-N 2.93Å; H224-G226 PolarHBondContact O-N 3.01Å; H224-G226 VanDerWaalsContact O-N 3.15Å; G226-A228 PolarHBondContact O-N 2.88Å; G226-F229 VanDerWaalsContact O-CB 3.28Å; G226-F229 WeakPolarHBondContact O-CB 3.23Å; G226-F229 PolarHBondContact O-N 2.72Å; G226-F229 VanDerWaalsContact O-N 3.15Å
227G98.8Very high98.9Very high21 Ų2140.8 Ų40.822%0.21621%0.205CC..THydrogen-bonded Turntrans62.6-125.9179.200000112.5P196 H224 G225P196-G227 WeakPolarHBondContact O-CA 3.45Å; H224-G227 PolarHBondContact O-N 3.15Å; G225-G227 VanDerWaalsContact C-N 3.33Å
228A98.9Very high98.9Very high39 Ų3938.1 Ų38.132%0.32220%0.195SC..THydrogen-bonded Turntrans-88.8-2.9178.500000113.4T200 G226 F231 T232T200-A228 PolarHBondContact OG1-N 2.87Å; G226-A228 PolarHBondContact O-N 2.88Å; A228-F231 PolarHBondContact O-N 3.12Å; A228-T232 HydrophobicContact CB-CG2 4.26Å; A228-T232 WeakPolarHBondContact O-CB 3.26Å; A228-T232 WeakPolarHBondContact O-CG2 3.03Å; A228-T232 PolarHBondContact O-N 3.43Å; A228-T232 PolarHBondContact O-OG1 3.17Å
229F98.9Very high98.9Very high1 Ų139.2 Ų39.20%0.00421%0.208CC..Hα-helixtrans-57.7-47.7-173.9-177.6-92.6000113.5T200 I203 I207 G226 F231 T232 V233 I236 L259 F262 I281T200-F229 HydrophobicContact CG2-CB 4.2Å; T200-F229 PolarHBondContact OG1-N 3.04Å; I203-F229 HydrophobicContact CB-CD2 4.15Å; I203-F229 HydrophobicContact CB-CG 4.39Å; I203-F229 HydrophobicContact CD1-CB 3.75Å; I203-F229 HydrophobicContact CD1-CD1 4.4Å; I203-F229 HydrophobicContact CD1-CG 4.03Å; I203-F229 HydrophobicContact CG2-CD1 4.1Å; I203-F229 HydrophobicContact CG2-CD2 3.49Å; I203-F229 VanDerWaalsContact CG2-CD2 3.49Å; I203-F229 HydrophobicContact CG2-CE1 4.12Å; I203-F229 HydrophobicContact CG2-CE2 3.51Å; I203-F229 HydrophobicContact CG2-CG 3.79Å; I203-F229 HydrophobicContact CG2-CZ 3.83Å; I207-F229 HydrophobicContact CD1-CE2 4.14Å; I207-F229 HydrophobicContact CD1-CZ 3.9Å; G226-F229 VanDerWaalsContact O-CB 3.28Å; G226-F229 WeakPolarHBondContact O-CB 3.23Å; G226-F229 PolarHBondContact O-N 2.72Å; G226-F229 VanDerWaalsContact O-N 3.15Å; F229-F231 PolarHBondContact O-N 2.75Å; F229-T232 PolarHBondContact O-N 3.43Å; F229-T232 VanDerWaalsContact O-N 3.13Å; F229-V233 HydrophobicContact CE1-CB 4.16Å; F229-V233 HydrophobicContact CE1-CG2 3.94Å; F229-V233 HydrophobicContact CE2-CG2 4.26Å; F229-V233 HydrophobicContact CZ-CB 4.17Å; F229-V233 HydrophobicContact CZ-CG2 3.65Å; F229-V233 WeakPolarHBondContact O-CB 3.47Å; F229-V233 PolarHBondContact O-N 2.93Å; F229-I236 HydrophobicContact CD2-CD1 3.81Å; F229-I236 HydrophobicContact CE2-CD1 4.08Å; F229-L259 HydrophobicContact CE1-CD2 3.81Å; F229-L259 HydrophobicContact CZ-CD2 4.42Å; F229-F262 HydrophobicContact CD1-CZ 4.21Å; F229-F262 AromaticContact CE1-CZ 3.83Å; F229-F262 HydrophobicContact CE1-CZ 3.83Å; F229-F262 HydrophobicContact CZ-CZ 4.44Å; F229-I281 HydrophobicContact CD1-CD1 4.38Å
230P98.9Very high98.9Very high11 Ų1136.5 Ų36.57%0.07120%0.196CC..Hα-helixtrans-58.9-34.9-178-2332.6000113.5G225 L277 V280 I281G225-P230 WeakPolarHBondContact O-CG 3.38Å; P230-L277 HydrophobicContact CB-CD1 4.17Å; P230-L277 HydrophobicContact CG-CD1 3.47Å; P230-L277 VanDerWaalsContact CG-CD1 3.47Å; P230-V280 HydrophobicContact CB-CB 4.28Å; P230-V280 HydrophobicContact CB-CG1 4.24Å; P230-I281 HydrophobicContact CG-CG1 4.31Å
231F98.9Very high98.9Very high171 Ų17139.6 Ų39.675%0.7522%0.218SC*.Hα-helixtrans-78.5-38.9177.2-176.9-104.3000112.5A228 F229 L276A228-F231 PolarHBondContact O-N 3.12Å; F229-F231 PolarHBondContact O-N 2.75Å; F231-L276 HydrophobicContact CB-CD2 4.24Å; F231-L276 HydrophobicContact CD2-CD2 4.01Å
232T98.9Very high98.9Very high41 Ų4144.9 Ų44.925%0.25224%0.244SC..Hα-helixtrans-93.4-6-171.759.50000114.5A228 F229 G234 R235 I236A228-T232 HydrophobicContact CB-CG2 4.26Å; A228-T232 WeakPolarHBondContact O-CB 3.26Å; A228-T232 WeakPolarHBondContact O-CG2 3.03Å; A228-T232 PolarHBondContact O-N 3.43Å; A228-T232 PolarHBondContact O-OG1 3.17Å; F229-T232 PolarHBondContact O-N 3.43Å; F229-T232 VanDerWaalsContact O-N 3.13Å; T232-G234 PolarHBondContact O-N 2.99Å; T232-G234 VanDerWaalsContact O-N 3.09Å; T232-R235 WeakPolarHBondContact O-CA 3.4Å; T232-R235 WeakPolarHBondContact O-CB 3.23Å; T232-R235 PolarHBondContact O-N 2.86Å; T232-I236 PolarHBondContact O-N 3.21Å
233V98.9Very high98.8Very high11 Ų1150.7 Ų50.77%0.06727%0.266CS..Hα-helixtrans-56-31.4-176.967.70000113.4F229 R235 I236 S237 L259 V280F229-V233 HydrophobicContact CE1-CB 4.16Å; F229-V233 HydrophobicContact CE1-CG2 3.94Å; F229-V233 HydrophobicContact CE2-CG2 4.26Å; F229-V233 HydrophobicContact CZ-CB 4.17Å; F229-V233 HydrophobicContact CZ-CG2 3.65Å; F229-V233 WeakPolarHBondContact O-CB 3.47Å; F229-V233 PolarHBondContact O-N 2.93Å; V233-R235 PolarHBondContact O-N 3.26Å; V233-I236 PolarHBondContact O-N 3.24Å; V233-S237 WeakPolarHBondContact O-CB 3.47Å; V233-S237 PolarHBondContact O-N 3.36Å; V233-L259 HydrophobicContact CG2-CD2 4.27Å; V233-V280 HydrophobicContact CG1-CG1 3.96Å
234G98.8Very high98.8Very high40 Ų4053.8 Ų53.841%0.41229%0.286SS..Hα-helixtrans-59.8-44.6173.500000112.5T232 H238T232-G234 PolarHBondContact O-N 2.99Å; T232-G234 VanDerWaalsContact O-N 3.09Å; G234-H238 WeakPolarHBondContact O-CB 3.46Å; G234-H238 PolarHBondContact O-N 3.1Å; G234-H238 VanDerWaalsContact O-N 3.09Å
235R98.9Very high98.8Very high211 Ų21157.3 Ų57.380%0.79631%0.306SS*.Hα-helixtrans-68.2-46.3176.4180-179.7176.281.61.5111.3T232 V233 H238 G239T232-R235 WeakPolarHBondContact O-CA 3.4Å; T232-R235 WeakPolarHBondContact O-CB 3.23Å; T232-R235 PolarHBondContact O-N 2.86Å; V233-R235 PolarHBondContact O-N 3.26Å; R235-H238 PolarHBondContact O-N 2.8Å; R235-G239 PolarHBondContact O-N 3.14Å
236I98.9Very high98.8Very high33 Ų3362.2 Ų62.217%0.16933%0.331CS..Hα-helixtrans-60.2-50.1-179.4-66.5160.7000110.3T200 F229 T232 V233 H238 G239 F240 P255T200-I236 HydrophobicContact CG2-CD1 4.27Å; F229-I236 HydrophobicContact CD2-CD1 3.81Å; F229-I236 HydrophobicContact CE2-CD1 4.08Å; T232-I236 PolarHBondContact O-N 3.21Å; V233-I236 PolarHBondContact O-N 3.24Å; I236-H238 PolarHBondContact O-N 2.87Å; I236-G239 PolarHBondContact O-N 3.06Å; I236-F240 PolarHBondContact O-N 3.03Å; I236-P255 HydrophobicContact CG2-CB 4.25Å; I236-P255 HydrophobicContact CG2-CG 4.11Å
237S98.9Very high98.7Very high9 Ų963.8 Ų63.86%0.06334%0.342CS..Hα-helixtrans-63.1-42179.3173.40000112.9V233 S241 N254 K256V233-S237 WeakPolarHBondContact O-CB 3.47Å; V233-S237 PolarHBondContact O-N 3.36Å; S237-S241 PolarHBondContact O-N 3.04Å; S237-S241 PolarHBondContact O-OG 3.21Å; S237-N254 WeakPolarHBondContact CB-OD1 3.23Å; S237-N254 PolarHBondContact O-ND2 3.03Å; S237-N254 PolarHBondContact OG-OD1 3.03Å; S237-K256 VanDerWaalsContact OG-CD 3.28Å; S237-K256 WeakPolarHBondContact OG-CD 3.38Å; S237-K256 WeakPolarHBondContact OG-CG 3.27Å
238H98.8Very high98.7Very high116 Ų11663.8 Ų63.854%0.53734%0.34SS..Hα-helixtrans-66.2-46.1175.9-179.562.4000111.4G234 R235 I236 F240 S241 M242G234-H238 WeakPolarHBondContact O-CB 3.46Å; G234-H238 PolarHBondContact O-N 3.1Å; G234-H238 VanDerWaalsContact O-N 3.09Å; R235-H238 PolarHBondContact O-N 2.8Å; I236-H238 PolarHBondContact O-N 2.87Å; H238-F240 VanDerWaalsContact C-N 3.33Å; H238-F240 PolarHBondContact O-N 3.32Å; H238-S241 PolarHBondContact O-N 3.43Å; H238-S241 VanDerWaalsContact O-N 3.1Å; H238-M242 WeakPolarHBondContact O-CG 3.33Å; H238-M242 PolarHBondContact O-N 2.91Å
239G98.8Very high98.7Very high30 Ų3069 Ų6931%0.30936%0.357SS..Hα-helixtrans-56.4-44.3176.900000112.7R235 I236 S241 M242 R243R235-G239 PolarHBondContact O-N 3.14Å; I236-G239 PolarHBondContact O-N 3.06Å; G239-S241 VanDerWaalsContact C-N 3.32Å; G239-S241 PolarHBondContact O-N 2.89Å; G239-M242 PolarHBondContact O-N 3.33Å; G239-M242 VanDerWaalsContact O-N 3.14Å; G239-R243 PolarHBondContact O-N 2.93Å
240F98.8Very high98.7Very high11 Ų1172 Ų725%0.04837%0.373CS..Hα-helixtrans-54.7-46.1174.3-178.5-80.1000112.1M208 I236 H238 M242 R243 C247 A248 N251 M253 N254 P255M208-F240 HydrophobicContact CG-CD2 4.16Å; M208-F240 HydrophobicContact CG-CE2 4.27Å; M208-F240 HydrophobicContact SD-CD2 4.05Å; I236-F240 PolarHBondContact O-N 3.03Å; H238-F240 VanDerWaalsContact C-N 3.33Å; H238-F240 PolarHBondContact O-N 3.32Å; F240-M242 VanDerWaalsContact C-N 3.34Å; F240-M242 PolarHBondContact O-N 3.09Å; F240-R243 CarbonylContact O-C 3.52Å; F240-C247 HydrophobicContact CB-CB 4.31Å; F240-C247 HydrophobicContact CD2-CB 3.47Å; F240-C247 VanDerWaalsContact CD2-CB 3.47Å; F240-C247 HydrophobicContact CE2-CB 4.02Å; F240-C247 WeakPolarHBondContact CE2-O 3.36Å; F240-C247 HydrophobicContact CG-CB 4.09Å; F240-A248 HydrophobicContact CE1-CB 4.17Å; F240-A248 HydrophobicContact CE2-CB 4.04Å; F240-A248 HydrophobicContact CZ-CB 3.58Å; F240-N251 WeakPolarHBondContact CZ-O 3.49Å; F240-M253 WeakPolarHBondContact CZ-O 3.28Å; F240-N254 HydrophobicContact CD1-CB 4.07Å; F240-N254 HydrophobicContact CE1-CB 4.21Å; F240-P255 HydrophobicContact CB-CG 4.21Å; F240-P255 HydrophobicContact CD2-CG 3.99Å; F240-P255 VanDerWaalsContact CG-CD 3.42Å; F240-P255 HydrophobicContact CG-CG 4.19Å
241S98.8Very high98.7Very high64 Ų6471.6 Ų71.645%0.44837%0.371SS..Hα-helixtrans-69.2-31.2179.2-62.20000113.3S237 H238 G239 N254S237-S241 PolarHBondContact O-N 3.04Å; S237-S241 PolarHBondContact O-OG 3.21Å; H238-S241 PolarHBondContact O-N 3.43Å; H238-S241 VanDerWaalsContact O-N 3.1Å; G239-S241 VanDerWaalsContact C-N 3.32Å; G239-S241 PolarHBondContact O-N 2.89Å; S241-N254 PolarHBondContact OG-ND2 3.25Å
242M98.8Very high98.6Very high112 Ų11267.8 Ų67.855%0.55236%0.363SS*.Hα-helixtrans-82.4-29.6-178.1-64.5-58.493.600112.9H238 G239 F240 P244H238-M242 WeakPolarHBondContact O-CG 3.33Å; H238-M242 PolarHBondContact O-N 2.91Å; G239-M242 PolarHBondContact O-N 3.33Å; G239-M242 VanDerWaalsContact O-N 3.14Å; F240-M242 VanDerWaalsContact C-N 3.34Å; F240-M242 PolarHBondContact O-N 3.09Å; M242-P244 VanDerWaalsContact C-CD 3.42Å
243R98.5Very high98.6Very high121 Ų12168.6 Ų68.646%0.45737%0.365SS..  trans-130.160.3-179.2-66.6-60.7-57.2-81.82.1111.8G239 F240 D245 L246 C247G239-R243 PolarHBondContact O-N 2.93Å; F240-R243 CarbonylContact O-C 3.52Å; R243-D245 VanDerWaalsContact C-OD1 3.29Å; R243-D245 VanDerWaalsContact CA-OD1 3.28Å; R243-D245 WeakPolarHBondContact CA-OD1 3.26Å; R243-D245 IonicContact CZ-OD1 3.28Å; R243-D245 IonicContact CZ-OD2 3.56Å; R243-D245 IonicContact NE-OD1 3.4Å; R243-D245 PolarHBondContact NE-OD1 3.28Å; R243-D245 IonicContact NE-OD2 3.98Å; R243-D245 PolarHBondContact NE-OD2 3.26Å; R243-D245 IonicContact NH2-OD1 3.69Å; R243-D245 IonicContact NH2-OD2 2.82Å; R243-D245 PolarHBondContact NH2-OD2 3.49Å; R243-D245 PolarHBondContact O-N 3.37Å; R243-L246 HydrophobicContact CB-CB 4.35Å; R243-L246 HydrophobicContact CB-CD1 4.15Å; R243-L246 HydrophobicContact CB-CG 4.29Å; R243-L246 HydrophobicContact CG-CD1 4.46Å; R243-L246 VanDerWaalsContact CZ-CD1 3.49Å; R243-L246 PolarHBondContact O-N 2.79Å; R243-C247 PolarHBondContact O-N 3.48Å; R243-C247 VanDerWaalsContact O-N 3.1Å
244P98.1Very high98.6Very high66 Ų6669.4 Ų69.443%0.42937%0.369SS..Hα-helixtrans-62.2-25177.527.7-35.3000112.1M242 L246 C247 A248M242-P244 VanDerWaalsContact C-CD 3.42Å; P244-L246 PolarHBondContact O-N 3.11Å; P244-C247 PolarHBondContact O-N 3.18Å; P244-A248 HydrophobicContact CB-CB 3.8Å; P244-A248 WeakPolarHBondContact O-CA 3.48Å; P244-A248 VanDerWaalsContact O-CB 3.23Å; P244-A248 WeakPolarHBondContact O-CB 3.38Å; P244-A248 PolarHBondContact O-N 3.2Å
245D98.3Very high98.6Very high95 Ų9567.5 Ų67.551%0.50835%0.349SS..Hα-helixtrans-59.6-26.3172.563.4-59.4000113.4R243R243-D245 VanDerWaalsContact C-OD1 3.29Å; R243-D245 VanDerWaalsContact CA-OD1 3.28Å; R243-D245 WeakPolarHBondContact CA-OD1 3.26Å; R243-D245 IonicContact CZ-OD1 3.28Å; R243-D245 IonicContact CZ-OD2 3.56Å; R243-D245 IonicContact NE-OD1 3.4Å; R243-D245 PolarHBondContact NE-OD1 3.28Å; R243-D245 IonicContact NE-OD2 3.98Å; R243-D245 PolarHBondContact NE-OD2 3.26Å; R243-D245 IonicContact NH2-OD1 3.69Å; R243-D245 IonicContact NH2-OD2 2.82Å; R243-D245 PolarHBondContact NH2-OD2 3.49Å; R243-D245 PolarHBondContact O-N 3.37Å
246L98.3Very high98.6Very high104 Ų10463.1 Ų63.155%0.54534%0.336SS..Hα-helixtrans-98.6-33.1176.1-60.2-178.8000112.8R243 P244R243-L246 HydrophobicContact CB-CB 4.35Å; R243-L246 HydrophobicContact CB-CD1 4.15Å; R243-L246 HydrophobicContact CB-CG 4.29Å; R243-L246 HydrophobicContact CG-CD1 4.46Å; R243-L246 VanDerWaalsContact CZ-CD1 3.49Å; R243-L246 PolarHBondContact O-N 2.79Å; P244-L246 PolarHBondContact O-N 3.11Å
247C98.4Very high98.6Very high33 Ų3368.1 Ų68.122%0.22336%0.356CS..Hα-helixtrans-107.6-23.7-166.1-570000114.5M208 F240 R243 P244M208-C247 HydrophobicContact SD-CB 3.95Å; F240-C247 HydrophobicContact CB-CB 4.31Å; F240-C247 HydrophobicContact CD2-CB 3.47Å; F240-C247 VanDerWaalsContact CD2-CB 3.47Å; F240-C247 HydrophobicContact CE2-CB 4.02Å; F240-C247 WeakPolarHBondContact CE2-O 3.36Å; F240-C247 HydrophobicContact CG-CB 4.09Å; R243-C247 PolarHBondContact O-N 3.48Å; R243-C247 VanDerWaalsContact O-N 3.1Å; P244-C247 PolarHBondContact O-N 3.18Å
248A98.4Very high98.6Very high21 Ų2168.1 Ų68.117%0.17436%0.355CS..SBendtrans-1076.7-166.700000114F240 P244 D250 N251F240-A248 HydrophobicContact CE1-CB 4.17Å; F240-A248 HydrophobicContact CE2-CB 4.04Å; F240-A248 HydrophobicContact CZ-CB 3.58Å; P244-A248 HydrophobicContact CB-CB 3.8Å; P244-A248 WeakPolarHBondContact O-CA 3.48Å; P244-A248 VanDerWaalsContact O-CB 3.23Å; P244-A248 WeakPolarHBondContact O-CB 3.38Å; P244-A248 PolarHBondContact O-N 3.2Å; A248-D250 VanDerWaalsContact C-N 3.33Å; A248-D250 PolarHBondContact O-N 3.3Å; A248-N251 WeakPolarHBondContact CA-O 3.45Å; A248-N251 CarbonylContact O-C 3.56Å
249Q98.3Very high98.6Very high148 Ų14865.4 Ų65.469%0.69234%0.344SS*.SBendtrans-63.5-33.3-176.253.5169.463.800113.8
250D98.4Very high98.5Very high63 Ų6365.4 Ų65.434%0.33735%0.345SS..SBendtrans-106.2-21.6-178.8-69.1-65000113R155 A248R155-D250 IonicContact NH2-OD1 3.69Å; A248-D250 VanDerWaalsContact C-N 3.33Å; A248-D250 PolarHBondContact O-N 3.3Å
251N98.8Very high98.5Very high4 Ų467.6 Ų67.62%0.02136%0.361CS..  trans-149.8115.1174.4-176.68.1000111.1I207 M208 F240 A248 M253 Y258I207-N251 PolarHBondContact O-ND2 2.92Å; M208-N251 WeakPolarHBondContact O-CB 3.16Å; M208-N251 PolarHBondContact O-N 2.52Å; F240-N251 WeakPolarHBondContact CZ-O 3.49Å; A248-N251 WeakPolarHBondContact CA-O 3.45Å; A248-N251 CarbonylContact O-C 3.56Å; N251-M253 VanDerWaalsContact C-N 3.25Å; N251-M253 PolarHBondContact O-N 2.97Å; N251-M253 PolarHBondContact OD1-N 2.78Å; N251-M253 VanDerWaalsContact OD1-N 3.11Å; N251-Y258 PolarHBondContact ND2-OH 3.43Å
252P98.4Very high98.5Very high91 Ų9164.5 Ų64.559%0.59134%0.34SS*.  trans-77.2-6-178.631.8-36000114.4
253M98.8Very high98.5Very high58 Ų5860.4 Ų60.429%0.28632%0.318SS..SBendtrans-82.7129.5-177.8-68.5-58.1107.200112.4F240 N251 K257 Y258F240-M253 WeakPolarHBondContact CZ-O 3.28Å; N251-M253 VanDerWaalsContact C-N 3.25Å; N251-M253 PolarHBondContact O-N 2.97Å; N251-M253 PolarHBondContact OD1-N 2.78Å; N251-M253 VanDerWaalsContact OD1-N 3.11Å; M253-K257 HydrophobicContact CB-CD 4.44Å; M253-K257 HydrophobicContact SD-CD 3.91Å; M253-K257 PolarHBondContact SD-NZ 3.17Å; M253-Y258 HydrophobicContact CB-CE2 3.82Å; M253-Y258 WeakPolarHBondContact CB-OH 3.2Å
254N98.8Very high98.6Very high27 Ų2754.6 Ų54.614%0.14430%0.296CS..  trans-61.6137.9179.4-172.1-76.3000111.9S237 F240 S241 K256 K257S237-N254 WeakPolarHBondContact CB-OD1 3.23Å; S237-N254 PolarHBondContact O-ND2 3.03Å; S237-N254 PolarHBondContact OG-OD1 3.03Å; F240-N254 HydrophobicContact CD1-CB 4.07Å; F240-N254 HydrophobicContact CE1-CB 4.21Å; S241-N254 PolarHBondContact OG-ND2 3.25Å; N254-K256 PolarHBondContact O-N 2.95Å; N254-K256 PolarHBondContact OD1-N 3.38Å; N254-K257 WeakPolarHBondContact O-CB 3.2Å; N254-K257 PolarHBondContact O-N 3.28Å
255P98.7Very high98.6Very high1 Ų151.5 Ų51.51%0.00628%0.276CS..G310 helixtrans-50.9-31.3-179.3-32.836.7000116.3I207 M208 I236 F240 K257 Y258I207-P255 HydrophobicContact CG2-CB 3.87Å; I207-P255 HydrophobicContact CG2-CG 3.96Å; M208-P255 HydrophobicContact CG-CG 4.38Å; I236-P255 HydrophobicContact CG2-CB 4.25Å; I236-P255 HydrophobicContact CG2-CG 4.11Å; F240-P255 HydrophobicContact CB-CG 4.21Å; F240-P255 HydrophobicContact CD2-CG 3.99Å; F240-P255 VanDerWaalsContact CG-CD 3.42Å; F240-P255 HydrophobicContact CG-CG 4.19Å; P255-K257 PolarHBondContact O-N 3.1Å; P255-Y258 PolarHBondContact O-N 2.86Å; P255-Y258 VanDerWaalsContact O-N 3.1Å
256K98.4Very high98.6Very high118 Ų11847.2 Ų47.251%0.51325%0.254SS..G310 helixtrans-59.3-27.1176.5-92.1-178.5-175.4-175.10113.7S237 N254 Y258 L259S237-K256 VanDerWaalsContact OG-CD 3.28Å; S237-K256 WeakPolarHBondContact OG-CD 3.38Å; S237-K256 WeakPolarHBondContact OG-CG 3.27Å; N254-K256 PolarHBondContact O-N 2.95Å; N254-K256 PolarHBondContact OD1-N 3.38Å; K256-Y258 PolarHBondContact O-N 2.81Å; K256-L259 HydrophobicContact CG-CD1 4.38Å; K256-L259 PolarHBondContact O-N 3.46Å
257K98.8Very high98.6Very high139 Ų13942.6 Ų42.660%0.60423%0.23SC*.G310 helixtrans-68.2-19178.8-67.7-170.7177-175.80113.2M253 N254 P255M253-K257 HydrophobicContact CB-CD 4.44Å; M253-K257 HydrophobicContact SD-CD 3.91Å; M253-K257 PolarHBondContact SD-NZ 3.17Å; N254-K257 WeakPolarHBondContact O-CB 3.2Å; N254-K257 PolarHBondContact O-N 3.28Å; P255-K257 PolarHBondContact O-N 3.1Å
258Y98.9Very high98.7Very high9 Ų942.5 Ų42.54%0.03523%0.228CC..G310 helixtrans-95.10.9-179.6-61-80.3000113.4I207 F212 E213 N251 M253 P255 K256 G260 S261I207-Y258 HydrophobicContact CB-CD2 4.5Å; I207-Y258 HydrophobicContact CG1-CD2 4.4Å; I207-Y258 HydrophobicContact CG1-CG 4.34Å; I207-Y258 HydrophobicContact CG2-CD2 3.58Å; I207-Y258 HydrophobicContact CG2-CE2 3.99Å; I207-Y258 HydrophobicContact CG2-CG 4.33Å; F212-Y258 HydrophobicContact CB-CD1 3.75Å; F212-Y258 HydrophobicContact CB-CE1 3.91Å; E213-Y258 PolarHBondContact OE2-OH 3.17Å; N251-Y258 PolarHBondContact ND2-OH 3.43Å; M253-Y258 HydrophobicContact CB-CE2 3.82Å; M253-Y258 WeakPolarHBondContact CB-OH 3.2Å; P255-Y258 PolarHBondContact O-N 2.86Å; P255-Y258 VanDerWaalsContact O-N 3.1Å; K256-Y258 PolarHBondContact O-N 2.81Å; Y258-G260 PolarHBondContact O-N 2.94Å; Y258-S261 WeakPolarHBondContact CA-OG 3.28Å; Y258-S261 WeakPolarHBondContact O-CB 3.5Å; Y258-S261 PolarHBondContact O-N 3.02Å; Y258-S261 PolarHBondContact O-OG 2.89Å
259L98.8Very high98.7Very high58 Ų5845.9 Ų45.930%0.30424%0.24SC..THydrogen-bonded Turntrans-60124.2169.4-67.2179.3000109.3F229 V233 K256 V280 I281F229-L259 HydrophobicContact CE1-CD2 3.81Å; F229-L259 HydrophobicContact CZ-CD2 4.42Å; V233-L259 HydrophobicContact CG2-CD2 4.27Å; K256-L259 HydrophobicContact CG-CD1 4.38Å; K256-L259 PolarHBondContact O-N 3.46Å; L259-V280 HydrophobicContact CD1-CG1 4.33Å; L259-V280 HydrophobicContact CD2-CG1 3.86Å; L259-I281 HydrophobicContact CD2-CD1 4.42Å
260G97.6Very high98.7Very high31 Ų3143.7 Ų43.732%0.3223%0.233SC..THydrogen-bonded Turntrans87.4-2.4-172.600000115.5Y258 K285Y258-G260 PolarHBondContact O-N 2.94Å; G260-K285 WeakPolarHBondContact O-CE 3.3Å
261S98.6Very high98.7Very high56 Ų5643.7 Ų43.739%0.39224%0.236SC..SBendtrans-82.4-14.4175.4-58.40000113.5Y258Y258-S261 WeakPolarHBondContact CA-OG 3.28Å; Y258-S261 WeakPolarHBondContact O-CB 3.5Å; Y258-S261 PolarHBondContact O-N 3.02Å; Y258-S261 PolarHBondContact O-OG 2.89Å
262F98.9Very high98.7Very high0 Ų050.2 Ų50.20%027%0.27CS..SBendtrans-138.7168.9179.160.6-93.4000110.5I203 I207 F212 F222 F229 T264 I281 K285I203-F262 HydrophobicContact CD1-CE2 4.32Å; I203-F262 HydrophobicContact CG2-CE1 4.24Å; I203-F262 HydrophobicContact CG2-CE2 4.48Å; I203-F262 HydrophobicContact CG2-CZ 3.86Å; I207-F262 HydrophobicContact CD1-CE1 4.11Å; F212-F262 HydrophobicContact CE1-CB 4.13Å; F212-F262 HydrophobicContact CE2-CD1 4.11Å; F212-F262 HydrophobicContact CZ-CB 3.96Å; F212-F262 HydrophobicContact CZ-CD1 4.16Å; F212-F262 HydrophobicContact CZ-CG 4.32Å; F222-F262 AromaticContact CD2-CD2 3.62Å; F222-F262 HydrophobicContact CD2-CD2 3.62Å; F222-F262 HydrophobicContact CD2-CE2 4.11Å; F222-F262 HydrophobicContact CD2-CG 4.24Å; F222-F262 HydrophobicContact CE2-CB 4.06Å; F222-F262 AromaticContact CE2-CD2 3.71Å; F222-F262 HydrophobicContact CE2-CD2 3.71Å; F222-F262 HydrophobicContact CE2-CE2 4.29Å; F222-F262 AromaticContact CE2-CG 3.87Å; F222-F262 HydrophobicContact CE2-CG 3.87Å; F229-F262 HydrophobicContact CD1-CZ 4.21Å; F229-F262 AromaticContact CE1-CZ 3.83Å; F229-F262 HydrophobicContact CE1-CZ 3.83Å; F229-F262 HydrophobicContact CZ-CZ 4.44Å; F262-T264 HydrophobicContact CD2-CG2 4.38Å; F262-T264 HydrophobicContact CE2-CG2 4.13Å; F262-I281 HydrophobicContact CE2-CD1 3.85Å; F262-I281 HydrophobicContact CZ-CD1 4.05Å; F262-K285 WeakPolarHBondContact O-CD 3.46Å
263Y98.9Very high98.8Very high25 Ų2548.3 Ų48.310%0.09826%0.259CS..EExtended strand (participates in β ladder)trans-104.3161.4178.7-64.1-103.1000110.9V220 C221 F222 D284 K285 I287 F327V220-Y263 PolarHBondContact O-N 3.44Å; C221-Y263 VanDerWaalsContact CA-O 3.29Å; C221-Y263 WeakPolarHBondContact CA-O 3.48Å; F222-Y263 PolarHBondContact N-O 3.4Å; Y263-D284 WeakPolarHBondContact CE1-O 3.39Å; Y263-K285 CarbonylContact C-O 3.56Å; Y263-K285 WeakPolarHBondContact CA-O 3.26Å; Y263-K285 WeakPolarHBondContact CB-O 3.34Å; Y263-K285 HydrophobicContact CD1-CB 4.33Å; Y263-K285 HydrophobicContact CD1-CD 3.93Å; Y263-K285 HydrophobicContact CD2-CD 4.08Å; Y263-K285 HydrophobicContact CE1-CD 3.76Å; Y263-K285 HydrophobicContact CE2-CD 3.89Å; Y263-K285 HydrophobicContact CG-CD 4.08Å; Y263-I287 HydrophobicContact CD1-CD1 3.67Å; Y263-I287 HydrophobicContact CD1-CG1 3.96Å; Y263-I287 HydrophobicContact CE1-CD1 4.46Å; Y263-I287 HydrophobicContact CG-CD1 4.09Å; Y263-F327 HydrophobicContact CD1-CB 4.35Å; Y263-F327 AromaticContact CD2-CD2 3.9Å; Y263-F327 HydrophobicContact CD2-CD2 3.9Å; Y263-F327 HydrophobicContact CE1-CB 4.24Å; Y263-F327 HydrophobicContact CE2-CD2 4.28Å; Y263-F327 HydrophobicContact CG-CD2 4.24Å
264T99Very high98.8Very high0 Ų045.5 Ų45.50%025%0.246CC..EExtended strand (participates in β ladder)trans-132.4157.4161.168.80000109.2C221 F222 F262 I281 K285 V286 I287C221-T264 VanDerWaalsContact SG-C 3.53Å; F222-T264 HydrophobicContact CB-CG2 4.46Å; F222-T264 CarbonylContact O-C 3.57Å; F222-T264 VanDerWaalsContact O-CA 3.24Å; F222-T264 WeakPolarHBondContact O-CA 3.48Å; F262-T264 HydrophobicContact CD2-CG2 4.38Å; F262-T264 HydrophobicContact CE2-CG2 4.13Å; T264-I281 HydrophobicContact CG2-CD1 4.33Å; T264-I281 HydrophobicContact CG2-CG1 4.22Å; T264-I281 HydrophobicContact CG2-CG2 4.3Å; T264-K285 PolarHBondContact N-O 3.42Å; T264-V286 WeakPolarHBondContact O-CA 3.36Å; T264-I287 PolarHBondContact O-N 2.87Å
265D98.9Very high98.8Very high0 Ų046.2 Ų46.20%025%0.247CC..EExtended strand (participates in β ladder)trans-68.7173.8161.478.324.4000111I5 H6 F222 A223 H224 G225 L267 L277 I287I5-D265 HydrophobicContact CG2-CB 4.11Å; H6-D265 IonicContact CE1-OD2 3.69Å; H6-D265 IonicContact CG-OD2 3.79Å; H6-D265 IonicContact ND1-OD2 3.75Å; H6-D265 PolarHBondContact ND1-OD2 3.2Å; F222-D265 PolarHBondContact O-N 3.42Å; A223-D265 VanDerWaalsContact CA-OD2 3.31Å; A223-D265 WeakPolarHBondContact CA-OD2 3.2Å; H224-D265 VanDerWaalsContact CA-OD1 3.24Å; H224-D265 WeakPolarHBondContact CA-OD1 3.12Å; H224-D265 PolarHBondContact N-OD1 3.19Å; H224-D265 PolarHBondContact N-OD2 3.21Å; G225-D265 WeakPolarHBondContact CA-O 3.18Å; G225-D265 PolarHBondContact N-OD1 3.41Å; D265-L267 WeakPolarHBondContact OD1-CB 3.3Å; D265-L267 PolarHBondContact OD1-N 3.16Å; D265-L277 WeakPolarHBondContact O-CD2 3.29Å; D265-I287 CarbonylContact C-O 3.54Å; D265-I287 VanDerWaalsContact C-O 3.22Å; D265-I287 WeakPolarHBondContact CA-O 3.18Å
266A98.9Very high98.8Very high6 Ų649.3 Ų49.35%0.0526%0.264CS..  trans-101.913-179.100000113V268 L274 V286 I287 I305A266-V268 VanDerWaalsContact C-N 3.32Å; A266-V268 PolarHBondContact O-N 3.39Å; A266-L274 HydrophobicContact CB-CD1 4Å; A266-V286 HydrophobicContact CB-CG1 3.67Å; A266-I287 WeakPolarHBondContact CB-O 3.4Å; A266-I287 PolarHBondContact N-O 3.09Å; A266-I305 HydrophobicContact CB-CD1 4.24Å
267L98.9Very high98.8Very high7 Ų743.8 Ų43.84%0.03724%0.24CC..  trans-81.777.8-171.4-174.258.2000111.1D265 D291 E298D265-L267 WeakPolarHBondContact OD1-CB 3.3Å; D265-L267 PolarHBondContact OD1-N 3.16Å; L267-D291 HydrophobicContact CD2-CB 3.43Å; L267-D291 VanDerWaalsContact CD2-CB 3.43Å; L267-E298 HydrophobicContact CD1-CB 3.95Å
268V98.9Very high98.8Very high30 Ų3037.3 Ų37.318%0.18221%0.211CC..  trans-126.81.4-177.7-60.10000114A266 D270 L274 L277 L304A266-V268 VanDerWaalsContact C-N 3.32Å; A266-V268 PolarHBondContact O-N 3.39Å; V268-D270 PolarHBondContact O-N 2.99Å; V268-L274 HydrophobicContact CG2-CB 3.87Å; V268-L274 HydrophobicContact CG2-CD1 4.48Å; V268-L277 HydrophobicContact CG1-CD2 4.15Å; V268-L304 HydrophobicContact CG2-CD2 4.38Å
269H98.8Very high98.8Very high93 Ų9341 Ų4143%0.43123%0.232SC..  trans63.7-36.7172.8-51.286.8000117.3L296H269-L296 PolarHBondContact NE2-O 3.5Å
270D98.8Very high98.8Very high102 Ų10239.6 Ų39.655%0.54523%0.226SC..SBendtrans-105.1143.1-175.5-83.4-41.7000113.4V268 L272 S273 L274V268-D270 PolarHBondContact O-N 2.99Å; D270-L272 PolarHBondContact O-N 3.36Å; D270-S273 WeakPolarHBondContact O-CB 3.33Å; D270-S273 PolarHBondContact O-N 3.27Å; D270-L274 PolarHBondContact O-N 3.16Å
271P98.8Very high98.9Very high62 Ų6238.2 Ų38.240%0.40321%0.211SC..Hα-helixtrans-66.1-37-17724.5-33.7000112.8S273 L274 K275 L304 M308P271-S273 VanDerWaalsContact C-N 3.33Å; P271-S273 PolarHBondContact O-N 2.92Å; P271-L274 PolarHBondContact O-N 2.78Å; P271-K275 WeakPolarHBondContact O-CB 3.48Å; P271-K275 PolarHBondContact O-N 2.8Å; P271-L304 HydrophobicContact CB-CD1 4.15Å; P271-M308 HydrophobicContact CB-CE 4.43Å; P271-M308 HydrophobicContact CB-SD 3.58Å; P271-M308 VanDerWaalsContact CB-SD 3.58Å; P271-M308 WeakPolarHBondContact O-CE 3.42Å
272L98.8Very high98.9Very high141 Ų14136.8 Ų36.874%0.73821%0.205SC*.Hα-helixtrans-64.8-39.8176.6-64.2177.9000111.5D270 K275 L276D270-L272 PolarHBondContact O-N 3.36Å; L272-K275 PolarHBondContact O-N 2.95Å; L272-L276 WeakPolarHBondContact O-CB 3.41Å; L272-L276 PolarHBondContact O-N 3.24Å
273S98.9Very high98.9Very high51 Ų5140.6 Ų40.636%0.35722%0.222SC..Hα-helixtrans-66.3-43175.7-610000111.1D270 P271 K275 L276 L277D270-S273 WeakPolarHBondContact O-CB 3.33Å; D270-S273 PolarHBondContact O-N 3.27Å; P271-S273 VanDerWaalsContact C-N 3.33Å; P271-S273 PolarHBondContact O-N 2.92Å; S273-K275 VanDerWaalsContact C-N 3.35Å; S273-K275 PolarHBondContact O-N 2.96Å; S273-L276 PolarHBondContact O-N 3.05Å; S273-L277 VanDerWaalsContact O-CB 3.27Å; S273-L277 WeakPolarHBondContact O-CB 3.49Å; S273-L277 PolarHBondContact O-N 3.46Å
274L98.9Very high98.9Very high0 Ų043.1 Ų43.10%024%0.237CC..Hα-helixtrans-64.7-39.4176.6-178.959.2000111.7A266 V268 D270 P271 L277 T278 V286 L304 I305 M308 F311 L319A266-L274 HydrophobicContact CB-CD1 4Å; V268-L274 HydrophobicContact CG2-CB 3.87Å; V268-L274 HydrophobicContact CG2-CD1 4.48Å; D270-L274 PolarHBondContact O-N 3.16Å; P271-L274 PolarHBondContact O-N 2.78Å; L274-L277 HydrophobicContact CD1-CD2 4.26Å; L274-L277 WeakPolarHBondContact O-CB 3.48Å; L274-L277 PolarHBondContact O-N 3.22Å; L274-T278 HydrophobicContact CD1-CG2 4.44Å; L274-T278 WeakPolarHBondContact O-CG2 3.45Å; L274-T278 PolarHBondContact O-N 2.86Å; L274-T278 PolarHBondContact O-OG1 2.87Å; L274-V286 HydrophobicContact CD1-CG1 4.21Å; L274-L304 HydrophobicContact CB-CD2 4.11Å; L274-L304 HydrophobicContact CD2-CD2 3.97Å; L274-L304 HydrophobicContact CD2-CG 3.76Å; L274-I305 HydrophobicContact CD2-CG1 3.9Å; L274-M308 HydrophobicContact CB-SD 4.45Å; L274-M308 HydrophobicContact CD2-CG 3.77Å; L274-M308 HydrophobicContact CD2-SD 4.06Å; L274-F311 HydrophobicContact CD2-CE2 4.07Å; L274-F311 HydrophobicContact CG-CE2 4.06Å; L274-F311 HydrophobicContact CG-CZ 4.43Å; L274-L319 HydrophobicContact CD1-CD2 4.42Å
275K98.9Very high98.9Very high42 Ų4245.3 Ų45.318%0.18325%0.246CC..Hα-helixtrans-61.5-53.2175.2-177.751.9171.145.10111.1P271 L272 S273 L277 T278 D279 M308 E310 F311P271-K275 WeakPolarHBondContact O-CB 3.48Å; P271-K275 PolarHBondContact O-N 2.8Å; L272-K275 PolarHBondContact O-N 2.95Å; S273-K275 VanDerWaalsContact C-N 3.35Å; S273-K275 PolarHBondContact O-N 2.96Å; K275-L277 VanDerWaalsContact C-N 3.26Å; K275-L277 PolarHBondContact O-N 2.94Å; K275-T278 PolarHBondContact O-N 3Å; K275-T278 VanDerWaalsContact O-N 3.16Å; K275-T278 PolarHBondContact O-OG1 2.8Å; K275-D279 IonicContact NZ-OD1 2.91Å; K275-D279 PolarHBondContact NZ-OD1 3.27Å; K275-D279 IonicContact NZ-OD2 3.95Å; K275-D279 PolarHBondContact NZ-OD2 2.79Å; K275-D279 PolarHBondContact O-N 2.98Å; K275-M308 HydrophobicContact CB-CE 3.87Å; K275-E310 WeakPolarHBondContact CE-OE2 3.47Å; K275-E310 IonicContact NZ-OE2 3.01Å; K275-F311 HydrophobicContact CD-CE1 3.8Å; K275-F311 HydrophobicContact CD-CZ 4.31Å
276L98.9Very high98.9Very high66 Ų6645.3 Ų45.335%0.34625%0.246SC..Hα-helixtrans-54.5-44.4175.9175.464.4000111.5F231 L272 S273 T278 D279 V280F231-L276 HydrophobicContact CB-CD2 4.24Å; F231-L276 HydrophobicContact CD2-CD2 4.01Å; L272-L276 WeakPolarHBondContact O-CB 3.41Å; L272-L276 PolarHBondContact O-N 3.24Å; S273-L276 PolarHBondContact O-N 3.05Å; L276-T278 PolarHBondContact O-N 3.03Å; L276-D279 PolarHBondContact O-N 2.69Å; L276-V280 HydrophobicContact CD1-CG2 3.78Å; L276-V280 HydrophobicContact CG-CG2 4.35Å; L276-V280 WeakPolarHBondContact O-CG2 3.45Å; L276-V280 PolarHBondContact O-N 2.83Å
277L98.9Very high98.9Very high2 Ų245 Ų451%0.0124%0.244CC..Hα-helixtrans-56.8-50.5178.5179.766.9000111.2G225 P230 D265 V268 S273 L274 K275 D279 V280 I281 V286G225-L277 WeakPolarHBondContact O-CD1 3.47Å; P230-L277 HydrophobicContact CB-CD1 4.17Å; P230-L277 HydrophobicContact CG-CD1 3.47Å; P230-L277 VanDerWaalsContact CG-CD1 3.47Å; D265-L277 WeakPolarHBondContact O-CD2 3.29Å; V268-L277 HydrophobicContact CG1-CD2 4.15Å; S273-L277 VanDerWaalsContact O-CB 3.27Å; S273-L277 WeakPolarHBondContact O-CB 3.49Å; S273-L277 PolarHBondContact O-N 3.46Å; L274-L277 HydrophobicContact CD1-CD2 4.26Å; L274-L277 WeakPolarHBondContact O-CB 3.48Å; L274-L277 PolarHBondContact O-N 3.22Å; K275-L277 VanDerWaalsContact C-N 3.26Å; K275-L277 PolarHBondContact O-N 2.94Å; L277-D279 VanDerWaalsContact C-N 3.31Å; L277-D279 PolarHBondContact O-N 3.23Å; L277-V280 PolarHBondContact O-N 3.43Å; L277-I281 HydrophobicContact CD1-CB 4.35Å; L277-I281 HydrophobicContact CD1-CG1 3.59Å; L277-I281 HydrophobicContact CG-CG1 4.47Å; L277-I281 WeakPolarHBondContact O-CB 3.45Å; L277-I281 PolarHBondContact O-N 3.38Å; L277-V286 HydrophobicContact CD2-CG1 3.8Å; L277-V286 HydrophobicContact CD2-CG2 4.1Å; L277-V286 HydrophobicContact CG-CG1 4.43Å; L277-V286 HydrophobicContact CG-CG2 3.84Å
278T98.9Very high98.9Very high2 Ų244.8 Ų44.81%0.01224%0.243CC..Hα-helixtrans-67.6-28.517960.10000113.9L274 K275 L276 G282 V286 F311 L319L274-T278 HydrophobicContact CD1-CG2 4.44Å; L274-T278 WeakPolarHBondContact O-CG2 3.45Å; L274-T278 PolarHBondContact O-N 2.86Å; L274-T278 PolarHBondContact O-OG1 2.87Å; K275-T278 PolarHBondContact O-N 3Å; K275-T278 VanDerWaalsContact O-N 3.16Å; K275-T278 PolarHBondContact O-OG1 2.8Å; L276-T278 PolarHBondContact O-N 3.03Å; T278-G282 CarbonylContact O-C 3.39Å; T278-G282 WeakPolarHBondContact O-CA 3.46Å; T278-G282 PolarHBondContact O-N 2.85Å; T278-G282 VanDerWaalsContact O-N 3.09Å; T278-V286 HydrophobicContact CG2-CB 4.27Å; T278-V286 HydrophobicContact CG2-CG1 4.43Å; T278-V286 HydrophobicContact CG2-CG2 4Å; T278-F311 HydrophobicContact CG2-CE1 4.42Å; T278-F311 HydrophobicContact CG2-CE2 4.18Å; T278-F311 HydrophobicContact CG2-CZ 3.65Å; T278-F311 VanDerWaalsContact OG1-CZ 3.31Å; T278-F311 WeakPolarHBondContact OG1-CZ 3.35Å; T278-L319 HydrophobicContact CG2-CD2 4Å
279D98.9Very high98.9Very high87 Ų8743.3 Ų43.347%0.46523%0.234SC..Hα-helixtrans-73.1-33.7176-69.7-19.5000111.9K275 L276 L277K275-D279 IonicContact NZ-OD1 2.91Å; K275-D279 PolarHBondContact NZ-OD1 3.27Å; K275-D279 IonicContact NZ-OD2 3.95Å; K275-D279 PolarHBondContact NZ-OD2 2.79Å; K275-D279 PolarHBondContact O-N 2.98Å; L276-D279 PolarHBondContact O-N 2.69Å; L277-D279 VanDerWaalsContact C-N 3.31Å; L277-D279 PolarHBondContact O-N 3.23Å
280V98.9Very high98.9Very high28 Ų2839 Ų3917%0.1721%0.214CC..Hα-helixtrans-89.4-49.2-177.8174.50000112.4P230 V233 L259 L276 L277P230-V280 HydrophobicContact CB-CB 4.28Å; P230-V280 HydrophobicContact CB-CG1 4.24Å; V233-V280 HydrophobicContact CG1-CG1 3.96Å; L259-V280 HydrophobicContact CD1-CG1 4.33Å; L259-V280 HydrophobicContact CD2-CG1 3.86Å; L276-V280 HydrophobicContact CD1-CG2 3.78Å; L276-V280 HydrophobicContact CG-CG2 4.35Å; L276-V280 WeakPolarHBondContact O-CG2 3.45Å; L276-V280 PolarHBondContact O-N 2.83Å; L277-V280 PolarHBondContact O-N 3.43Å
281I98.9Very high98.9Very high2 Ų234.7 Ų34.71%0.0119%0.191CC..Hα-helixtrans-84.8-30.3-176-59.8-59000111.4F229 P230 L259 F262 T264 L277 K285 V286F229-I281 HydrophobicContact CD1-CD1 4.38Å; P230-I281 HydrophobicContact CG-CG1 4.31Å; L259-I281 HydrophobicContact CD2-CD1 4.42Å; F262-I281 HydrophobicContact CE2-CD1 3.85Å; F262-I281 HydrophobicContact CZ-CD1 4.05Å; T264-I281 HydrophobicContact CG2-CD1 4.33Å; T264-I281 HydrophobicContact CG2-CG1 4.22Å; T264-I281 HydrophobicContact CG2-CG2 4.3Å; L277-I281 HydrophobicContact CD1-CB 4.35Å; L277-I281 HydrophobicContact CD1-CG1 3.59Å; L277-I281 HydrophobicContact CG-CG1 4.47Å; L277-I281 WeakPolarHBondContact O-CB 3.45Å; L277-I281 PolarHBondContact O-N 3.38Å; I281-K285 HydrophobicContact CG2-CB 3.67Å; I281-K285 WeakPolarHBondContact O-CB 3.44Å; I281-V286 HydrophobicContact CB-CG2 4.26Å; I281-V286 HydrophobicContact CG2-CG2 4.24Å
282G98.8Very high98.9Very high26 Ų2633.3 Ų33.327%0.26818%0.178SC..  trans102.8142.5179.600000113.4T278 D284 K285 V286T278-G282 CarbonylContact O-C 3.39Å; T278-G282 WeakPolarHBondContact O-CA 3.46Å; T278-G282 PolarHBondContact O-N 2.85Å; T278-G282 VanDerWaalsContact O-N 3.09Å; G282-D284 PolarHBondContact O-N 3.05Å; G282-D284 VanDerWaalsContact O-N 3.15Å; G282-K285 PolarHBondContact O-N 3.01Å; G282-V286 PolarHBondContact O-N 3.47Å
283K98.9Very high98.8Very high81 Ų8128 Ų2835%0.35215%0.152SC..THydrogen-bonded Turntrans-61-24.1-177.2-64.1179.1175.6690114.2K285 T315 L319 N323K283-K285 VanDerWaalsContact C-N 3.31Å; K283-T315 HydrophobicContact CB-CG2 4.33Å; K283-T315 HydrophobicContact CD-CG2 3.87Å; K283-T315 HydrophobicContact CG-CG2 4.1Å; K283-L319 WeakPolarHBondContact O-CD1 3.25Å; K283-N323 PolarHBondContact O-ND2 2.97Å
284D98.9Very high98.8Very high77 Ų7726.1 Ų26.141%0.41214%0.137SC..THydrogen-bonded Turntrans-918.8177.3-56.2-41.3000113.2Y263 G282 K318Y263-D284 WeakPolarHBondContact CE1-O 3.39Å; G282-D284 PolarHBondContact O-N 3.05Å; G282-D284 VanDerWaalsContact O-N 3.15Å; D284-K318 VanDerWaalsContact OD1-CD 3.27Å; D284-K318 WeakPolarHBondContact OD1-CD 3.36Å; D284-K318 VanDerWaalsContact OD1-CE 3.28Å; D284-K318 WeakPolarHBondContact OD1-CE 3.39Å; D284-K318 IonicContact OD1-NZ 3.37Å; D284-K318 PolarHBondContact OD1-NZ 3.1Å
285K98.9Very high98.6Very high47 Ų4730.8 Ų30.820%0.20417%0.168CC..THydrogen-bonded Turntrans-131.6-0.4-171.6-64.6-72.2169.1-75.10114G260 F262 Y263 T264 I281 G282 K283G260-K285 WeakPolarHBondContact O-CE 3.3Å; F262-K285 WeakPolarHBondContact O-CD 3.46Å; Y263-K285 CarbonylContact C-O 3.56Å; Y263-K285 WeakPolarHBondContact CA-O 3.26Å; Y263-K285 WeakPolarHBondContact CB-O 3.34Å; Y263-K285 HydrophobicContact CD1-CB 4.33Å; Y263-K285 HydrophobicContact CD1-CD 3.93Å; Y263-K285 HydrophobicContact CD2-CD 4.08Å; Y263-K285 HydrophobicContact CE1-CD 3.76Å; Y263-K285 HydrophobicContact CE2-CD 3.89Å; Y263-K285 HydrophobicContact CG-CD 4.08Å; T264-K285 PolarHBondContact N-O 3.42Å; I281-K285 HydrophobicContact CG2-CB 3.67Å; I281-K285 WeakPolarHBondContact O-CB 3.44Å; G282-K285 PolarHBondContact O-N 3.01Å; K283-K285 VanDerWaalsContact C-N 3.31Å
286V98.9Very high98.5Very high0 Ų030.5 Ų30.50%017%0.168CC..EExtended strand (participates in β ladder)trans-103.9129.4175.5178.10000109.6T264 A266 L274 L277 T278 I281 G282 L319 N323T264-V286 WeakPolarHBondContact O-CA 3.36Å; A266-V286 HydrophobicContact CB-CG1 3.67Å; L274-V286 HydrophobicContact CD1-CG1 4.21Å; L277-V286 HydrophobicContact CD2-CG1 3.8Å; L277-V286 HydrophobicContact CD2-CG2 4.1Å; L277-V286 HydrophobicContact CG-CG1 4.43Å; L277-V286 HydrophobicContact CG-CG2 3.84Å; T278-V286 HydrophobicContact CG2-CB 4.27Å; T278-V286 HydrophobicContact CG2-CG1 4.43Å; T278-V286 HydrophobicContact CG2-CG2 4Å; I281-V286 HydrophobicContact CB-CG2 4.26Å; I281-V286 HydrophobicContact CG2-CG2 4.24Å; G282-V286 PolarHBondContact O-N 3.47Å; V286-L319 HydrophobicContact CB-CD1 4.49Å; V286-L319 HydrophobicContact CB-CG 4.22Å; V286-L319 HydrophobicContact CG1-CD2 4.35Å; V286-L319 HydrophobicContact CG1-CG 4.15Å; V286-N323 PolarHBondContact O-ND2 3.49Å
287I98.9Very high98.5Very high0 Ų027.7 Ų27.70%016%0.155CC..EExtended strand (participates in β ladder)trans-122.7135.2-173.2-51.4174.2000110.3I5 Y263 T264 D265 A266 G289 N323 A324 F327I5-I287 HydrophobicContact CB-CG2 3.79Å; I5-I287 HydrophobicContact CG1-CG2 4.34Å; I5-I287 HydrophobicContact CG2-CB 4.17Å; I5-I287 HydrophobicContact CG2-CG2 3.77Å; Y263-I287 HydrophobicContact CD1-CD1 3.67Å; Y263-I287 HydrophobicContact CD1-CG1 3.96Å; Y263-I287 HydrophobicContact CE1-CD1 4.46Å; Y263-I287 HydrophobicContact CG-CD1 4.09Å; T264-I287 PolarHBondContact O-N 2.87Å; D265-I287 CarbonylContact C-O 3.54Å; D265-I287 VanDerWaalsContact C-O 3.22Å; D265-I287 WeakPolarHBondContact CA-O 3.18Å; A266-I287 WeakPolarHBondContact CB-O 3.4Å; A266-I287 PolarHBondContact N-O 3.09Å; I287-G289 PolarHBondContact O-N 3.43Å; I287-N323 HydrophobicContact CG1-CB 3.87Å; I287-A324 HydrophobicContact CG2-CB 3.57Å; I287-F327 HydrophobicContact CD1-CB 3.67Å; I287-F327 HydrophobicContact CD1-CD1 4.03Å; I287-F327 HydrophobicContact CD1-CG 3.88Å
288L98.9Very high98.4Very high1 Ų129.2 Ų29.21%0.00516%0.162CC..  trans-55.8126.1170.6171.861.2000110.9K2 I5 T290 I305 L319K2-L288 HydrophobicContact CB-CD2 4.28Å; K2-L288 HydrophobicContact CG-CD2 4.42Å; I5-L288 VanDerWaalsContact CG2-O 3.3Å; I5-L288 WeakPolarHBondContact CG2-O 3.15Å; I5-L288 PolarHBondContact N-O 2.9Å; L288-T290 HydrophobicContact CD1-CG2 4.29Å; L288-I305 HydrophobicContact CB-CD1 3.88Å; L288-I305 HydrophobicContact CD1-CD1 3.88Å; L288-I305 HydrophobicContact CG-CD1 4.38Å; L288-L319 WeakPolarHBondContact CB-O 3.25Å; L288-L319 PolarHBondContact N-O 3.13Å
289G98.8Very high98.4Very high0 Ų035.3 Ų35.30%019%0.194CC..  trans-144.8147171.300000109.5D4 I287D4-G289 WeakPolarHBondContact OD1-CA 3.42Å; I287-G289 PolarHBondContact O-N 3.43Å
290T98.7Very high98.4Very high1 Ų135.2 Ų35.21%0.00619%0.19CC..  trans-122.3-14.1-167.9690000115.3D4 H6 L288 Y292 G297 E298 P301D4-T290 HydrophobicContact CB-CG2 4.32Å; D4-T290 VanDerWaalsContact CG-CG2 3.49Å; D4-T290 VanDerWaalsContact CG-OG1 3.22Å; D4-T290 PolarHBondContact OD1-N 3.32Å; D4-T290 PolarHBondContact OD1-OG1 3.46Å; D4-T290 WeakPolarHBondContact OD2-CG2 3.26Å; D4-T290 PolarHBondContact OD2-OG1 2.92Å; H6-T290 PolarHBondContact O-N 3.03Å; H6-T290 PolarHBondContact O-OG1 3.06Å; L288-T290 HydrophobicContact CD1-CG2 4.29Å; T290-Y292 PolarHBondContact O-N 3.48Å; T290-Y292 WeakPolarHBondContact OG1-CB 3.43Å; T290-Y292 PolarHBondContact OG1-N 3.48Å; T290-Y292 VanDerWaalsContact OG1-N 3.11Å; T290-G297 CarbonylContact O-C 3.22Å; T290-G297 WeakPolarHBondContact O-CA 3.46Å; T290-E298 PolarHBondContact O-N 2.93Å; T290-P301 HydrophobicContact CG2-CB 3.77Å; T290-P301 HydrophobicContact CG2-CG 4Å
291D98.6Very high98.3Very high12 Ų1234.3 Ų34.36%0.06419%0.185CC..  trans56.626.9-167.5-170.433.6000112.6H6 H8 L267 F294H6-D291 IonicContact NE2-OD1 3.76Å; H6-D291 WeakPolarHBondContact O-CA 3.28Å; H6-D291 PolarHBondContact O-N 3.13Å; H8-D291 IonicContact CD2-OD1 3.27Å; H8-D291 PolarHBondContact CD2-OD1 3.46Å; H8-D291 VanDerWaalsContact CD2-OD1 3.28Å; H8-D291 IonicContact NE2-OD1 2.69Å; H8-D291 PolarHBondContact NE2-OD1 3.09Å; L267-D291 HydrophobicContact CD2-CB 3.43Å; L267-D291 VanDerWaalsContact CD2-CB 3.43Å; D291-F294 WeakPolarHBondContact O-CB 3.27Å; D291-F294 PolarHBondContact O-N 2.99Å; D291-F294 WeakPolarHBondContact OD1-CD2 3.31Å
292Y98.8Very high98.3Very high33 Ų3334.2 Ų34.213%0.12919%0.185CC..BIsolated β-bridgetrans-63.3137.2179.4176.1-82.6000111.3S7 H8 N52 R59 E62 Q71 T290S7-Y292 CarbonylContact C-O 3.58Å; S7-Y292 VanDerWaalsContact CA-O 3.3Å; S7-Y292 WeakPolarHBondContact CA-O 3.43Å; H8-Y292 PolarHBondContact N-O 2.87Å; N52-Y292 VanDerWaalsContact CB-OH 3.32Å; N52-Y292 WeakPolarHBondContact CB-OH 3.45Å; R59-Y292 HydrophobicContact CG-CE1 3.99Å; R59-Y292 VanDerWaalsContact NH2-CD1 3.34Å; E62-Y292 VanDerWaalsContact OE2-CE2 3.26Å; E62-Y292 WeakPolarHBondContact OE2-CE2 3.19Å; E62-Y292 VanDerWaalsContact OE2-CZ 3.27Å; E62-Y292 PolarHBondContact OE2-OH 3.39Å; Q71-Y292 VanDerWaalsContact NE2-CD1 3.3Å; T290-Y292 PolarHBondContact O-N 3.48Å; T290-Y292 WeakPolarHBondContact OG1-CB 3.43Å; T290-Y292 PolarHBondContact OG1-N 3.48Å; T290-Y292 VanDerWaalsContact OG1-N 3.11Å
293P98.3Very high98.3Very high29 Ų2939.2 Ų39.219%0.18820%0.199CC..THydrogen-bonded Turncis-100.925.58.539.2-36.7000113.8H8 N52 C53H8-P293 WeakPolarHBondContact O-CD 3.27Å; N52-P293 WeakPolarHBondContact OD1-CB 3.47Å; C53-P293 HydrophobicContact CB-CG 3.99Å
294F97.7Very high98.3Very high12 Ų1236.3 Ų36.35%0.05319%0.187CC..SBendtrans-82.5149.8-170.2-60.6-40.2000113.2H8 V49 V76 D291 L296 G297H8-F294 HydrophobicContact CB-CE2 3.83Å; H8-F294 HydrophobicContact CB-CZ 4.19Å; H8-F294 AromaticContact CD2-CD2 3.7Å; H8-F294 AromaticContact CD2-CE2 3.41Å; H8-F294 VanDerWaalsContact CD2-CE2 3.41Å; H8-F294 WeakPolarHBondContact CD2-CE2 3.12Å; H8-F294 AromaticContact CG-CE2 3.84Å; V49-F294 HydrophobicContact CG1-CE1 4.09Å; V76-F294 HydrophobicContact CB-CZ 4.43Å; V76-F294 HydrophobicContact CG1-CE2 4.11Å; V76-F294 HydrophobicContact CG1-CZ 3.81Å; V76-F294 HydrophobicContact CG2-CE2 4.37Å; V76-F294 HydrophobicContact CG2-CZ 3.73Å; D291-F294 WeakPolarHBondContact O-CB 3.27Å; D291-F294 PolarHBondContact O-N 2.99Å; D291-F294 WeakPolarHBondContact OD1-CD2 3.31Å; F294-L296 VanDerWaalsContact C-N 3.26Å; F294-L296 PolarHBondContact O-N 2.9Å; F294-G297 PolarHBondContact O-N 3.2Å
295P95.9Very high98.3Very high99 Ų9932.7 Ų32.764%0.64317%0.168SC*.THydrogen-bonded Turntrans-72.4-15.1-170.328.5-36.8000114.5W188 G297W188-P295 HydrophobicContact CH2-CG 4.49Å; P295-G297 VanDerWaalsContact C-N 3.26Å
296L96.8Very high98.3Very high35 Ų3534.1 Ų34.118%0.18318%0.175CC..THydrogen-bonded Turntrans-76.3-20.9172.9-154.6175.3000110.7W188 W191 H269 F294W188-L296 HydrophobicContact CH2-CB 4.07Å; W188-L296 HydrophobicContact CH2-CD1 4.39Å; W188-L296 HydrophobicContact CH2-CG 4.33Å; W188-L296 HydrophobicContact CZ2-CD1 4.49Å; W191-L296 HydrophobicContact CB-CD1 4Å; H269-L296 PolarHBondContact NE2-O 3.5Å; F294-L296 VanDerWaalsContact C-N 3.26Å; F294-L296 PolarHBondContact O-N 2.9Å
297G97.6Very high98.3Very high7 Ų737.6 Ų37.67%0.07220%0.2CC..SBendtrans-64.3173.6-177.800000115.9T290 F294 P295 L299T290-G297 CarbonylContact O-C 3.22Å; T290-G297 WeakPolarHBondContact O-CA 3.46Å; F294-G297 PolarHBondContact O-N 3.2Å; P295-G297 VanDerWaalsContact C-N 3.26Å; G297-L299 PolarHBondContact O-N 3.2Å
298E98.2Very high98.3Very high35 Ų3537.9 Ų37.916%0.16420%0.201CC..  trans-75.4110.1172.2-171.1-174.5-149.900109.9L267 T290 E300 G302 K303 L304L267-E298 HydrophobicContact CD1-CB 3.95Å; T290-E298 PolarHBondContact O-N 2.93Å; E298-E300 VanDerWaalsContact C-N 3.27Å; E298-E300 VanDerWaalsContact CD-O 3.31Å; E298-E300 PolarHBondContact O-N 3.34Å; E298-G302 PolarHBondContact OE2-N 3.01Å; E298-K303 PolarHBondContact OE1-N 2.94Å; E298-L304 VanDerWaalsContact OE1-CB 3.3Å; E298-L304 WeakPolarHBondContact OE1-CB 3.44Å; E298-L304 PolarHBondContact OE1-N 2.95Å
299L97.8Very high98.2Very high129 Ų12947 Ų4768%0.67524%0.244SC*.SBendtrans-68.7-23.3-175-55.9-179.5000114.1G297G297-L299 PolarHBondContact O-N 3.2Å
300E98.6Very high98.2Very high85 Ų8552.9 Ų52.940%0.39727%0.271SS..SBendtrans-120.487.1176.5-63.2-59.8148.400108.9K66 E298 G302 K303K66-E300 IonicContact NZ-OE1 2.86Å; K66-E300 PolarHBondContact NZ-OE1 3.39Å; K66-E300 IonicContact NZ-OE2 3.24Å; K66-E300 PolarHBondContact NZ-OE2 2.75Å; E298-E300 VanDerWaalsContact C-N 3.27Å; E298-E300 VanDerWaalsContact CD-O 3.31Å; E298-E300 PolarHBondContact O-N 3.34Å; E300-G302 PolarHBondContact O-N 2.94Å; E300-G302 VanDerWaalsContact O-N 3.16Å; E300-K303 HydrophobicContact CB-CB 3.68Å; E300-K303 HydrophobicContact CB-CD 3.67Å; E300-K303 HydrophobicContact CB-CG 4.31Å; E300-K303 HydrophobicContact CG-CD 3.99Å; E300-K303 WeakPolarHBondContact O-CB 3.13Å; E300-K303 PolarHBondContact O-N 3.35Å
301P98.6Very high98.2Very high10 Ų1053.2 Ų53.27%0.06527%0.272CS..THydrogen-bonded Turntrans-50.4117.2-171.2-33.437.5000115.1K2 K66 V68 T290 K303K2-P301 PolarHBondContact NZ-O 2.78Å; K66-P301 HydrophobicContact CB-CG 4.2Å; K66-P301 HydrophobicContact CG-CG 4.39Å; V68-P301 HydrophobicContact CG2-CB 3.54Å; V68-P301 HydrophobicContact CG2-CG 3.92Å; T290-P301 HydrophobicContact CG2-CB 3.77Å; T290-P301 HydrophobicContact CG2-CG 4Å; P301-K303 VanDerWaalsContact C-N 3.32Å
302G98.4Very high98.2Very high0 Ų057 Ų570%029%0.293CS..THydrogen-bonded Turntrans812.8179.200000114.9E298 E300 L304 I305 E306E298-G302 PolarHBondContact OE2-N 3.01Å; E300-G302 PolarHBondContact O-N 2.94Å; E300-G302 VanDerWaalsContact O-N 3.16Å; G302-L304 VanDerWaalsContact C-N 3.29Å; G302-L304 PolarHBondContact O-N 2.85Å; G302-I305 PolarHBondContact O-N 2.87Å; G302-E306 WeakPolarHBondContact O-CB 3.39Å; G302-E306 VanDerWaalsContact O-CG 3.28Å; G302-E306 WeakPolarHBondContact O-CG 3.37Å; G302-E306 PolarHBondContact O-N 3.22Å
303K98.7Very high98.1Very high131 Ų13160.9 Ų60.957%0.5731%0.312SS*.Hα-helixtrans-60.4-40.6-179.9-178.8178.9178.4-177.40111.4E298 E300 P301 E306 S307E298-K303 PolarHBondContact OE1-N 2.94Å; E300-K303 HydrophobicContact CB-CB 3.68Å; E300-K303 HydrophobicContact CB-CD 3.67Å; E300-K303 HydrophobicContact CB-CG 4.31Å; E300-K303 HydrophobicContact CG-CD 3.99Å; E300-K303 WeakPolarHBondContact O-CB 3.13Å; E300-K303 PolarHBondContact O-N 3.35Å; P301-K303 VanDerWaalsContact C-N 3.32Å; K303-E306 PolarHBondContact O-N 2.98Å; K303-S307 WeakPolarHBondContact O-CB 3.42Å; K303-S307 PolarHBondContact O-N 3.16Å; K303-S307 PolarHBondContact O-OG 3Å
304L98.8Very high98.2Very high19 Ų1965.3 Ų65.310%0.09933%0.33CS..Hα-helixtrans-57.6-53.4176.7179.961000110.6V268 P271 L274 E298 G302 E306 S307 M308V268-L304 HydrophobicContact CG2-CD2 4.38Å; P271-L304 HydrophobicContact CB-CD1 4.15Å; L274-L304 HydrophobicContact CB-CD2 4.11Å; L274-L304 HydrophobicContact CD2-CD2 3.97Å; L274-L304 HydrophobicContact CD2-CG 3.76Å; E298-L304 VanDerWaalsContact OE1-CB 3.3Å; E298-L304 WeakPolarHBondContact OE1-CB 3.44Å; E298-L304 PolarHBondContact OE1-N 2.95Å; G302-L304 VanDerWaalsContact C-N 3.29Å; G302-L304 PolarHBondContact O-N 2.85Å; L304-E306 VanDerWaalsContact C-N 3.3Å; L304-E306 PolarHBondContact O-N 3.3Å; L304-S307 PolarHBondContact O-N 3.38Å; L304-S307 PolarHBondContact O-OG 3.42Å; L304-M308 WeakPolarHBondContact O-CG 3.33Å; L304-M308 PolarHBondContact O-N 3.3Å
305I98.8Very high98.2Very high2 Ų265.2 Ų65.21%0.0133%0.331CS..Hα-helixtrans-57.6-43.4178.9-62.3163000111.2A266 L274 L288 G302 S307 M308 K316 L319 K320A266-I305 HydrophobicContact CB-CD1 4.24Å; L274-I305 HydrophobicContact CD2-CG1 3.9Å; L288-I305 HydrophobicContact CB-CD1 3.88Å; L288-I305 HydrophobicContact CD1-CD1 3.88Å; L288-I305 HydrophobicContact CG-CD1 4.38Å; G302-I305 PolarHBondContact O-N 2.87Å; I305-S307 VanDerWaalsContact C-N 3.31Å; I305-S307 PolarHBondContact O-N 3.16Å; I305-M308 WeakPolarHBondContact O-CB 3.31Å; I305-M308 PolarHBondContact O-N 3.22Å; I305-K316 HydrophobicContact CG2-CB 4.25Å; I305-K316 HydrophobicContact CG2-CG 4.18Å; I305-K316 WeakPolarHBondContact O-CE 3.45Å; I305-L319 HydrophobicContact CD1-CB 4.03Å; I305-L319 HydrophobicContact CG1-CB 4.44Å; I305-L319 HydrophobicContact CG1-CD2 4.26Å; I305-L319 HydrophobicContact CG2-CB 3.98Å; I305-L319 HydrophobicContact CG2-CD2 4.13Å; I305-K320 HydrophobicContact CD1-CG 4.43Å; I305-K320 HydrophobicContact CG2-CG 4.12Å
306E98.8Very high98.3Very high76 Ų7661.5 Ų61.536%0.35530%0.304SS..Hα-helixtrans-66.7-34.4-178.1-72.7173.8159.200112.4K2 G302 K303 L304 M308 K316 K320K2-E306 VanDerWaalsContact CE-CD 3.48Å; K2-E306 WeakPolarHBondContact CE-OE1 3.34Å; K2-E306 IonicContact NZ-OE1 3.54Å; K2-E306 PolarHBondContact NZ-OE1 3.25Å; K2-E306 IonicContact NZ-OE2 2.89Å; K2-E306 PolarHBondContact NZ-OE2 2.88Å; G302-E306 WeakPolarHBondContact O-CB 3.39Å; G302-E306 VanDerWaalsContact O-CG 3.28Å; G302-E306 WeakPolarHBondContact O-CG 3.37Å; G302-E306 PolarHBondContact O-N 3.22Å; K303-E306 PolarHBondContact O-N 2.98Å; L304-E306 VanDerWaalsContact C-N 3.3Å; L304-E306 PolarHBondContact O-N 3.3Å; E306-M308 VanDerWaalsContact C-N 3.31Å; E306-M308 PolarHBondContact O-N 2.83Å; E306-K316 PolarHBondContact O-NZ 3.02Å; E306-K320 HydrophobicContact CG-CD 4.02Å; E306-K320 WeakPolarHBondContact OE1-CD 3.43Å; E306-K320 IonicContact OE1-NZ 2.79Å; E306-K320 PolarHBondContact OE1-NZ 2.89Å
307S98.6Very high98.4Very high73 Ų7362.8 Ų62.851%0.5131%0.312SS..Hα-helixtrans-77.5-8.717871.10000114.9K303 L304 I305 E309K303-S307 WeakPolarHBondContact O-CB 3.42Å; K303-S307 PolarHBondContact O-N 3.16Å; K303-S307 PolarHBondContact O-OG 3Å; L304-S307 PolarHBondContact O-N 3.38Å; L304-S307 PolarHBondContact O-OG 3.42Å; I305-S307 VanDerWaalsContact C-N 3.31Å; I305-S307 PolarHBondContact O-N 3.16Å; S307-E309 PolarHBondContact O-N 3.13Å; S307-E309 VanDerWaalsContact O-N 3.09Å
308M98.8Very high98.5Very high7 Ų764.7 Ų64.73%0.03432%0.318CS..  trans-67.8108.1179.6-66-61.8-69.600111.3P271 L274 K275 L304 I305 E306 E310 F311 K316P271-M308 HydrophobicContact CB-CE 4.43Å; P271-M308 HydrophobicContact CB-SD 3.58Å; P271-M308 VanDerWaalsContact CB-SD 3.58Å; P271-M308 WeakPolarHBondContact O-CE 3.42Å; L274-M308 HydrophobicContact CB-SD 4.45Å; L274-M308 HydrophobicContact CD2-CG 3.77Å; L274-M308 HydrophobicContact CD2-SD 4.06Å; K275-M308 HydrophobicContact CB-CE 3.87Å; L304-M308 WeakPolarHBondContact O-CG 3.33Å; L304-M308 PolarHBondContact O-N 3.3Å; I305-M308 WeakPolarHBondContact O-CB 3.31Å; I305-M308 PolarHBondContact O-N 3.22Å; E306-M308 VanDerWaalsContact C-N 3.31Å; E306-M308 PolarHBondContact O-N 2.83Å; M308-E310 VanDerWaalsContact C-N 3.29Å; M308-E310 PolarHBondContact O-N 3.27Å; M308-F311 HydrophobicContact CB-CB 4.02Å; M308-F311 HydrophobicContact CB-CD2 3.34Å; M308-F311 HydrophobicContact CB-CE2 3.88Å; M308-F311 HydrophobicContact CB-CG 3.75Å; M308-F311 HydrophobicContact CE-CD2 4.42Å; M308-F311 HydrophobicContact CE-CE1 4.3Å; M308-F311 HydrophobicContact CE-CE2 3.86Å; M308-F311 HydrophobicContact CE-CZ 3.77Å; M308-F311 HydrophobicContact CG-CD2 3.56Å; M308-F311 HydrophobicContact CG-CE2 3.59Å; M308-F311 HydrophobicContact CG-CG 4.4Å; M308-F311 HydrophobicContact CG-CZ 4.45Å; M308-F311 PolarHBondContact O-N 2.82Å; M308-F311 HydrophobicContact SD-CE2 4.5Å; M308-K316 WeakPolarHBondContact O-CE 3.27Å; M308-K316 PolarHBondContact O-NZ 2.63Å
309E97.3Very high98.5Very high193 Ų19363 Ų6390%0.90231%0.31SS*.THydrogen-bonded Turntrans-68.2-29.9177.4-60.1-176.1167.300112.3S307 F311S307-E309 PolarHBondContact O-N 3.13Å; S307-E309 VanDerWaalsContact O-N 3.09Å; E309-F311 VanDerWaalsContact C-N 3.26Å; E309-F311 PolarHBondContact O-N 3.02Å
310E98Very high98.6Very high122 Ų12258 Ų5857%0.5728%0.283SS*.THydrogen-bonded Turntrans-76.8-8.8-179.9-62-177.2-106.600113.7K275 M308K275-E310 WeakPolarHBondContact CE-OE2 3.47Å; K275-E310 IonicContact NZ-OE2 3.01Å; M308-E310 VanDerWaalsContact C-N 3.29Å; M308-E310 PolarHBondContact O-N 3.27Å
311F98.6Very high98.6Very high8 Ų854 Ų544%0.03526%0.264CS..  trans-104.8126.9-178.4-63.3-17000111L274 K275 T278 M308 E309 T315 K316 L319L274-F311 HydrophobicContact CD2-CE2 4.07Å; L274-F311 HydrophobicContact CG-CE2 4.06Å; L274-F311 HydrophobicContact CG-CZ 4.43Å; K275-F311 HydrophobicContact CD-CE1 3.8Å; K275-F311 HydrophobicContact CD-CZ 4.31Å; T278-F311 HydrophobicContact CG2-CE1 4.42Å; T278-F311 HydrophobicContact CG2-CE2 4.18Å; T278-F311 HydrophobicContact CG2-CZ 3.65Å; T278-F311 VanDerWaalsContact OG1-CZ 3.31Å; T278-F311 WeakPolarHBondContact OG1-CZ 3.35Å; M308-F311 HydrophobicContact CB-CB 4.02Å; M308-F311 HydrophobicContact CB-CD2 3.34Å; M308-F311 HydrophobicContact CB-CE2 3.88Å; M308-F311 HydrophobicContact CB-CG 3.75Å; M308-F311 HydrophobicContact CE-CD2 4.42Å; M308-F311 HydrophobicContact CE-CE1 4.3Å; M308-F311 HydrophobicContact CE-CE2 3.86Å; M308-F311 HydrophobicContact CE-CZ 3.77Å; M308-F311 HydrophobicContact CG-CD2 3.56Å; M308-F311 HydrophobicContact CG-CE2 3.59Å; M308-F311 HydrophobicContact CG-CG 4.4Å; M308-F311 HydrophobicContact CG-CZ 4.45Å; M308-F311 PolarHBondContact O-N 2.82Å; M308-F311 HydrophobicContact SD-CE2 4.5Å; E309-F311 VanDerWaalsContact C-N 3.26Å; E309-F311 PolarHBondContact O-N 3.02Å; F311-T315 HydrophobicContact CB-CG2 4.07Å; F311-T315 HydrophobicContact CD1-CG2 4.02Å; F311-T315 HydrophobicContact CD2-CG2 4.24Å; F311-T315 HydrophobicContact CG-CG2 3.86Å; F311-K316 HydrophobicContact CB-CG 3.89Å; F311-K316 WeakPolarHBondContact O-CE 3.32Å; F311-L319 HydrophobicContact CD2-CD2 4.23Å; F311-L319 HydrophobicContact CE2-CD2 3.83Å
312D98.6Very high98.6Very high93 Ų9355.8 Ų55.850%0.49728%0.277SS..  trans-69.6167.2166.159.226.4000111.8E314 T315 K316D312-E314 PolarHBondContact O-N 2.93Å; D312-E314 PolarHBondContact OD1-N 3.32Å; D312-T315 PolarHBondContact O-N 3.34Å; D312-T315 WeakPolarHBondContact OD1-CB 3.31Å; D312-T315 PolarHBondContact OD1-N 3.24Å; D312-T315 PolarHBondContact OD1-OG1 3.31Å; D312-K316 WeakPolarHBondContact O-CG 3.42Å; D312-K316 PolarHBondContact O-N 2.99Å
313E98.4Very high98.6Very high113 Ų11356.1 Ų56.153%0.52828%0.279SS..Hα-helixtrans-64-29.3-179.5-73.6-56.3130.900112.9K316 N317E313-K316 IonicContact OE1-NZ 3.54Å; E313-N317 VanDerWaalsContact O-CB 3.27Å; E313-N317 WeakPolarHBondContact O-CB 3.23Å; E313-N317 PolarHBondContact O-N 2.89Å; E313-N317 PolarHBondContact O-ND2 3.18Å
314E98.6Very high98.6Very high123 Ų12349.9 Ų49.958%0.57525%0.252SS*.Hα-helixtrans-63.7-49.2175-169.3-17114900110.6D312 N317 K318D312-E314 PolarHBondContact O-N 2.93Å; D312-E314 PolarHBondContact OD1-N 3.32Å; E314-N317 PolarHBondContact O-N 3.04Å; E314-K318 WeakPolarHBondContact O-CG 3.49Å; E314-K318 PolarHBondContact O-N 2.92Å; E314-K318 VanDerWaalsContact OE1-CE 3.26Å; E314-K318 WeakPolarHBondContact OE1-CE 3.39Å; E314-K318 IonicContact OE1-NZ 2.63Å; E314-K318 PolarHBondContact OE1-NZ 2.97Å
315T98.8Very high98.6Very high9 Ų949.8 Ų49.86%0.05525%0.251CS..Hα-helixtrans-61.1-47.2176.8-59.90000110.8K283 F311 D312 N317 K318 L319K283-T315 HydrophobicContact CB-CG2 4.33Å; K283-T315 HydrophobicContact CD-CG2 3.87Å; K283-T315 HydrophobicContact CG-CG2 4.1Å; F311-T315 HydrophobicContact CB-CG2 4.07Å; F311-T315 HydrophobicContact CD1-CG2 4.02Å; F311-T315 HydrophobicContact CD2-CG2 4.24Å; F311-T315 HydrophobicContact CG-CG2 3.86Å; D312-T315 PolarHBondContact O-N 3.34Å; D312-T315 WeakPolarHBondContact OD1-CB 3.31Å; D312-T315 PolarHBondContact OD1-N 3.24Å; D312-T315 PolarHBondContact OD1-OG1 3.31Å; T315-N317 VanDerWaalsContact C-N 3.28Å; T315-N317 PolarHBondContact O-N 3.25Å; T315-K318 WeakPolarHBondContact O-CB 3.5Å; T315-K318 PolarHBondContact O-N 3.05Å; T315-K318 VanDerWaalsContact O-N 3.12Å; T315-L319 HydrophobicContact CG2-CD1 3.99Å; T315-L319 VanDerWaalsContact O-CD1 3.31Å; T315-L319 WeakPolarHBondContact O-CD1 3.26Å; T315-L319 PolarHBondContact O-N 3.29Å
316K98.8Very high98.6Very high22 Ų2252.1 Ų52.110%0.09627%0.27CS..Hα-helixtrans-58.6-40.6176.7-70.1177179.7177.30111.7I305 E306 M308 F311 D312 E313 L319 K320I305-K316 HydrophobicContact CG2-CB 4.25Å; I305-K316 HydrophobicContact CG2-CG 4.18Å; I305-K316 WeakPolarHBondContact O-CE 3.45Å; E306-K316 PolarHBondContact O-NZ 3.02Å; M308-K316 WeakPolarHBondContact O-CE 3.27Å; M308-K316 PolarHBondContact O-NZ 2.63Å; F311-K316 HydrophobicContact CB-CG 3.89Å; F311-K316 WeakPolarHBondContact O-CE 3.32Å; D312-K316 WeakPolarHBondContact O-CG 3.42Å; D312-K316 PolarHBondContact O-N 2.99Å; E313-K316 IonicContact OE1-NZ 3.54Å; K316-L319 PolarHBondContact O-N 3.11Å; K316-K320 VanDerWaalsContact O-CB 3.29Å; K316-K320 WeakPolarHBondContact O-CB 3.38Å; K316-K320 VanDerWaalsContact O-CG 3.26Å; K316-K320 WeakPolarHBondContact O-CG 3.47Å; K316-K320 PolarHBondContact O-N 3.12Å
317N98.6Very high98.6Very high62 Ų6248.5 Ų48.533%0.33225%0.253SS..Hα-helixtrans-68.3-35.4176.9-75.2-40.1000113.1E313 E314 T315 A321 S322E313-N317 VanDerWaalsContact O-CB 3.27Å; E313-N317 WeakPolarHBondContact O-CB 3.23Å; E313-N317 PolarHBondContact O-N 2.89Å; E313-N317 PolarHBondContact O-ND2 3.18Å; E314-N317 PolarHBondContact O-N 3.04Å; T315-N317 VanDerWaalsContact C-N 3.28Å; T315-N317 PolarHBondContact O-N 3.25Å; N317-A321 PolarHBondContact O-N 3.36Å; N317-S322 PolarHBondContact O-N 3.14Å
318K98.8Very high98.6Very high47 Ų4745.3 Ų45.320%0.20423%0.231CC..Iπ-helixtrans-59.4-53.9172.2-73.6172.9175-169.60111.2D284 E314 T315 K320 A321 S322 N323D284-K318 VanDerWaalsContact OD1-CD 3.27Å; D284-K318 WeakPolarHBondContact OD1-CD 3.36Å; D284-K318 VanDerWaalsContact OD1-CE 3.28Å; D284-K318 WeakPolarHBondContact OD1-CE 3.39Å; D284-K318 IonicContact OD1-NZ 3.37Å; D284-K318 PolarHBondContact OD1-NZ 3.1Å; E314-K318 WeakPolarHBondContact O-CG 3.49Å; E314-K318 PolarHBondContact O-N 2.92Å; E314-K318 VanDerWaalsContact OE1-CE 3.26Å; E314-K318 WeakPolarHBondContact OE1-CE 3.39Å; E314-K318 IonicContact OE1-NZ 2.63Å; E314-K318 PolarHBondContact OE1-NZ 2.97Å; T315-K318 WeakPolarHBondContact O-CB 3.5Å; T315-K318 PolarHBondContact O-N 3.05Å; T315-K318 VanDerWaalsContact O-N 3.12Å; K318-K320 PolarHBondContact O-N 3.16Å; K318-A321 PolarHBondContact O-N 3.44Å; K318-S322 PolarHBondContact O-N 2.83Å; K318-N323 WeakPolarHBondContact O-CB 3.49Å; K318-N323 VanDerWaalsContact O-CG 3.25Å; K318-N323 PolarHBondContact O-N 3.23Å; K318-N323 PolarHBondContact O-ND2 2.79Å
319L98.9Very high98.6Very high0 Ų047.7 Ų47.70%026%0.257CS..Iπ-helixtrans-62.4-43.1-179.8-85.659.9000111.6L274 T278 K283 V286 L288 I305 F311 T315 K316L274-L319 HydrophobicContact CD1-CD2 4.42Å; T278-L319 HydrophobicContact CG2-CD2 4Å; K283-L319 WeakPolarHBondContact O-CD1 3.25Å; V286-L319 HydrophobicContact CB-CD1 4.49Å; V286-L319 HydrophobicContact CB-CG 4.22Å; V286-L319 HydrophobicContact CG1-CD2 4.35Å; V286-L319 HydrophobicContact CG1-CG 4.15Å; L288-L319 WeakPolarHBondContact CB-O 3.25Å; L288-L319 PolarHBondContact N-O 3.13Å; I305-L319 HydrophobicContact CD1-CB 4.03Å; I305-L319 HydrophobicContact CG1-CB 4.44Å; I305-L319 HydrophobicContact CG1-CD2 4.26Å; I305-L319 HydrophobicContact CG2-CB 3.98Å; I305-L319 HydrophobicContact CG2-CD2 4.13Å; F311-L319 HydrophobicContact CD2-CD2 4.23Å; F311-L319 HydrophobicContact CE2-CD2 3.83Å; T315-L319 HydrophobicContact CG2-CD1 3.99Å; T315-L319 VanDerWaalsContact O-CD1 3.31Å; T315-L319 WeakPolarHBondContact O-CD1 3.26Å; T315-L319 PolarHBondContact O-N 3.29Å; K316-L319 PolarHBondContact O-N 3.11Å
320K98.8Very high98.7Very high23 Ų2340 Ų4010%0.122%0.222CC..Iπ-helixtrans-71.7-26.9-178.5-74-171.5-66.7-1770114.6K2 I3 I305 E306 K316 K318K2-K320 CarbonylContact C-O 3.56Å; K2-K320 WeakPolarHBondContact CA-O 3.48Å; K2-K320 HydrophobicContact CD-CD 4.4Å; K2-K320 HydrophobicContact CG-CB 4.3Å; K2-K320 HydrophobicContact CG-CD 3.95Å; K2-K320 HydrophobicContact CG-CG 4.36Å; I3-K320 PolarHBondContact N-O 2.83Å; I305-K320 HydrophobicContact CD1-CG 4.43Å; I305-K320 HydrophobicContact CG2-CG 4.12Å; E306-K320 HydrophobicContact CG-CD 4.02Å; E306-K320 WeakPolarHBondContact OE1-CD 3.43Å; E306-K320 IonicContact OE1-NZ 2.79Å; E306-K320 PolarHBondContact OE1-NZ 2.89Å; K316-K320 VanDerWaalsContact O-CB 3.29Å; K316-K320 WeakPolarHBondContact O-CB 3.38Å; K316-K320 VanDerWaalsContact O-CG 3.26Å; K316-K320 WeakPolarHBondContact O-CG 3.47Å; K316-K320 PolarHBondContact O-N 3.12Å; K318-K320 PolarHBondContact O-N 3.16Å
321A98.6Very high98.7Very high1 Ų139.3 Ų39.31%0.00822%0.218CC..Iπ-helixtrans-155.9-50.1-173.700000115.2M1 I3 N317 K318 N323 A324 L325M1-A321 HydrophobicContact CB-CB 4.39Å; M1-A321 HydrophobicContact CG-CB 4.22Å; M1-A321 HydrophobicContact SD-CB 4.21Å; I3-A321 HydrophobicContact CD1-CB 4.31Å; I3-A321 HydrophobicContact CG1-CB 4.14Å; N317-A321 PolarHBondContact O-N 3.36Å; K318-A321 PolarHBondContact O-N 3.44Å; A321-N323 VanDerWaalsContact C-N 3.27Å; A321-N323 PolarHBondContact O-N 2.87Å; A321-A324 WeakPolarHBondContact O-CB 3.16Å; A321-A324 PolarHBondContact O-N 2.89Å; A321-L325 PolarHBondContact O-N 3.42Å
322S98.6Very high98.5Very high47 Ų4743.8 Ų43.833%0.32924%0.235SC..Iπ-helixtrans-63.1-34.9-167.9-47.20000112.6N317 K318 L325 A326N317-S322 PolarHBondContact O-N 3.14Å; K318-S322 PolarHBondContact O-N 2.83Å; S322-L325 PolarHBondContact O-N 3.42Å; S322-A326 WeakPolarHBondContact O-CB 3.38Å; S322-A326 PolarHBondContact O-N 2.77Å
323N98.9Very high98.4Very high8 Ų846.1 Ų46.14%0.04324%0.241CC..Hα-helixtrans-69.4-37176.9-64.8-13000111.7K283 V286 I287 K318 A321 A326 F327K283-N323 PolarHBondContact O-ND2 2.97Å; V286-N323 PolarHBondContact O-ND2 3.49Å; I287-N323 HydrophobicContact CG1-CB 3.87Å; K318-N323 WeakPolarHBondContact O-CB 3.49Å; K318-N323 VanDerWaalsContact O-CG 3.25Å; K318-N323 PolarHBondContact O-N 3.23Å; K318-N323 PolarHBondContact O-ND2 2.79Å; A321-N323 VanDerWaalsContact C-N 3.27Å; A321-N323 PolarHBondContact O-N 2.87Å; N323-A326 PolarHBondContact O-N 2.84Å; N323-F327 VanDerWaalsContact O-CB 3.3Å; N323-F327 WeakPolarHBondContact O-CB 3.22Å; N323-F327 PolarHBondContact O-N 3.39Å
324A98.9Very high98.2Very high0 Ų045 Ų450%024%0.236CC..Hα-helixtrans-63.1-45.2173.400000111.4I3 I287 A321 A326 F327 L328I3-A324 HydrophobicContact CB-CB 3.85Å; I3-A324 HydrophobicContact CD1-CB 4.13Å; I3-A324 HydrophobicContact CG2-CB 3.68Å; I287-A324 HydrophobicContact CG2-CB 3.57Å; A321-A324 WeakPolarHBondContact O-CB 3.16Å; A321-A324 PolarHBondContact O-N 2.89Å; A324-A326 PolarHBondContact O-N 2.91Å; A324-F327 PolarHBondContact O-N 2.88Å; A324-L328 WeakPolarHBondContact O-CB 3.42Å; A324-L328 WeakPolarHBondContact O-CG 3.39Å; A324-L328 PolarHBondContact O-N 3.23Å
325L98.9Very high98.1Very high17 Ų1740 Ų409%0.08921%0.212CC..Hα-helixtrans-59.5-45.5175.8-69174.1000111.5M1 I3 A321 S322 L328 G329 L330 R332 F335M1-L325 HydrophobicContact SD-CD1 4.42Å; I3-L325 HydrophobicContact CD1-CD1 4.39Å; I3-L325 HydrophobicContact CD1-CD2 3.54Å; I3-L325 HydrophobicContact CD1-CG 3.6Å; A321-L325 PolarHBondContact O-N 3.42Å; S322-L325 PolarHBondContact O-N 3.42Å; L325-L328 PolarHBondContact O-N 3.04Å; L325-G329 WeakPolarHBondContact O-CA 3.22Å; L325-G329 PolarHBondContact O-N 3.42Å; L325-L330 HydrophobicContact CD2-CB 4.08Å; L325-L330 PolarHBondContact O-N 2.87Å; L325-R332 HydrophobicContact CD1-CB 3.95Å; L325-F335 HydrophobicContact CD2-CD2 4.2Å; L325-F335 HydrophobicContact CD2-CE2 3.73Å
326A98.9Very high97.5Very high50 Ų5047.2 Ų47.241%0.41325%0.245SC..Hα-helixtrans-63.8-43.1177.500000112.5K219 S322 N323 A324 G329K219-A326 PolarHBondContact NZ-O 3.47Å; S322-A326 WeakPolarHBondContact O-CB 3.38Å; S322-A326 PolarHBondContact O-N 2.77Å; N323-A326 PolarHBondContact O-N 2.84Å; A324-A326 PolarHBondContact O-N 2.91Å; A326-G329 PolarHBondContact O-N 3.01Å
327F98.9Very high97.4Very high0 Ų048.5 Ų48.50%025%0.253CS..Hα-helixtrans-61.7-52.2176169.6-113.2000110.9I5 S170 K219 C221 Y263 I287 N323 A324 G329I5-F327 HydrophobicContact CD1-CD1 3.94Å; I5-F327 HydrophobicContact CD1-CE1 4.04Å; I5-F327 HydrophobicContact CG1-CD1 4.23Å; I5-F327 HydrophobicContact CG1-CE1 4.18Å; S170-F327 PolarHBondContact OG-O 3.04Å; K219-F327 HydrophobicContact CB-CD2 4.1Å; K219-F327 HydrophobicContact CB-CE2 4.17Å; K219-F327 WeakPolarHBondContact CD-O 3.32Å; K219-F327 PolarHBondContact NZ-O 2.96Å; C221-F327 HydrophobicContact CB-CD1 4.49Å; C221-F327 HydrophobicContact CB-CD2 4.14Å; C221-F327 HydrophobicContact CB-CE1 3.95Å; C221-F327 HydrophobicContact CB-CE2 3.54Å; C221-F327 HydrophobicContact CB-CZ 3.43Å; C221-F327 VanDerWaalsContact CB-CZ 3.43Å; Y263-F327 HydrophobicContact CD1-CB 4.35Å; Y263-F327 AromaticContact CD2-CD2 3.9Å; Y263-F327 HydrophobicContact CD2-CD2 3.9Å; Y263-F327 HydrophobicContact CE1-CB 4.24Å; Y263-F327 HydrophobicContact CE2-CD2 4.28Å; Y263-F327 HydrophobicContact CG-CD2 4.24Å; I287-F327 HydrophobicContact CD1-CB 3.67Å; I287-F327 HydrophobicContact CD1-CD1 4.03Å; I287-F327 HydrophobicContact CD1-CG 3.88Å; N323-F327 VanDerWaalsContact O-CB 3.3Å; N323-F327 WeakPolarHBondContact O-CB 3.22Å; N323-F327 PolarHBondContact O-N 3.39Å; A324-F327 PolarHBondContact O-N 2.88Å; F327-G329 VanDerWaalsContact C-N 3.26Å; F327-G329 PolarHBondContact O-N 2.94Å
328L98.8Very high97.4Very high7 Ų747.8 Ų47.84%0.03725%0.248CC..Hα-helixtrans-74.9-12.4-178.1-63.9173.9000113.8I5 V112 L114 P139 A324 L325 L330I5-L328 HydrophobicContact CD1-CD1 3.72Å; I5-L328 HydrophobicContact CD1-CD2 3.87Å; I5-L328 HydrophobicContact CD1-CG 3.89Å; V112-L328 HydrophobicContact CG2-CD1 4.04Å; L114-L328 HydrophobicContact CD2-CD2 4.04Å; P139-L328 HydrophobicContact CB-CB 3.99Å; P139-L328 HydrophobicContact CB-CD2 4.03Å; P139-L328 WeakPolarHBondContact CB-O 3.35Å; P139-L328 HydrophobicContact CG-CB 4.39Å; P139-L328 HydrophobicContact CG-CD2 3.87Å; A324-L328 WeakPolarHBondContact O-CB 3.42Å; A324-L328 WeakPolarHBondContact O-CG 3.39Å; A324-L328 PolarHBondContact O-N 3.23Å; L325-L328 PolarHBondContact O-N 3.04Å; L328-L330 VanDerWaalsContact C-N 3.35Å; L328-L330 HydrophobicContact CB-CB 4.47Å; L328-L330 HydrophobicContact CB-CD1 3.78Å; L328-L330 HydrophobicContact CB-CG 3.77Å; L328-L330 HydrophobicContact CD1-CD1 4.04Å
329G98.5Very high97.3Very high56 Ų5647.8 Ų47.858%0.57725%0.251SS*.THydrogen-bonded Turntrans68.734.4-176.100000113.1L325 A326 F327L325-G329 WeakPolarHBondContact O-CA 3.22Å; L325-G329 PolarHBondContact O-N 3.42Å; A326-G329 PolarHBondContact O-N 3.01Å; F327-G329 VanDerWaalsContact C-N 3.26Å; F327-G329 PolarHBondContact O-N 2.94Å
330L98.4Very high97.2Very high32 Ų3250.6 Ų50.617%0.16827%0.266CS..  trans-112.1158.3-176.5-58.9179.3000111.2V112 P139 L325 L328 F335V112-L330 HydrophobicContact CG1-CD1 3.77Å; P139-L330 HydrophobicContact CB-CD1 4.32Å; P139-L330 HydrophobicContact CB-CD2 4.35Å; P139-L330 HydrophobicContact CB-CG 4.39Å; P139-L330 HydrophobicContact CG-CD1 4.27Å; L325-L330 HydrophobicContact CD2-CB 4.08Å; L325-L330 PolarHBondContact O-N 2.87Å; L328-L330 VanDerWaalsContact C-N 3.35Å; L328-L330 HydrophobicContact CB-CB 4.47Å; L328-L330 HydrophobicContact CB-CD1 3.78Å; L328-L330 HydrophobicContact CB-CG 3.77Å; L328-L330 HydrophobicContact CD1-CD1 4.04Å; L330-F335 HydrophobicContact CB-CE2 4.38Å; L330-F335 HydrophobicContact CD1-CE2 4.34Å; L330-F335 HydrophobicContact CD1-CZ 3.86Å
331E97.8Very high97.1Very high107 Ų10752.4 Ų52.450%0.528%0.276SS..  trans-106.8142.5177.7-64.9-174.1-175.800111.2K333 Q334E331-K333 HydrophobicContact CB-CG 4.19Å; E331-K333 PolarHBondContact O-N 2.93Å; E331-K333 VanDerWaalsContact O-N 3.13Å; E331-K333 WeakPolarHBondContact OE2-CD 3.42Å; E331-K333 WeakPolarHBondContact OE2-CE 3.23Å; E331-K333 IonicContact OE2-NZ 3.92Å; E331-K333 PolarHBondContact OE2-NZ 2.96Å; E331-Q334 WeakPolarHBondContact O-CB 3.31Å; E331-Q334 WeakPolarHBondContact O-CG 3.18Å; E331-Q334 PolarHBondContact O-N 3.17Å
332R96.1Very high97Very high103 Ų10355.8 Ų55.839%0.38929%0.294SS..G310 helixtrans-52.2-39.5-179177.3175.3-79.8-1570.7113M1 L325 Q334 F335 E336M1-R332 HydrophobicContact SD-CG 3.84Å; L325-R332 HydrophobicContact CD1-CB 3.95Å; R332-Q334 PolarHBondContact O-N 2.65Å; R332-F335 PolarHBondContact O-N 3.3Å; R332-E336 VanDerWaalsContact CD-OE1 3.31Å; R332-E336 WeakPolarHBondContact CD-OE1 3.43Å; R332-E336 HydrophobicContact CG-CG 4.34Å; R332-E336 WeakPolarHBondContact CG-OE1 3.24Å
333K95.8Very high96.9Very high142 Ų14256.4 Ų56.462%0.61729%0.291SS*.G310 helixtrans-58.7-17.7-178.776-170.9-169.1-1550114.6E331 F335E331-K333 HydrophobicContact CB-CG 4.19Å; E331-K333 PolarHBondContact O-N 2.93Å; E331-K333 VanDerWaalsContact O-N 3.13Å; E331-K333 WeakPolarHBondContact OE2-CD 3.42Å; E331-K333 WeakPolarHBondContact OE2-CE 3.23Å; E331-K333 IonicContact OE2-NZ 3.92Å; E331-K333 PolarHBondContact OE2-NZ 2.96Å; K333-F335 PolarHBondContact O-N 3.26Å
334Q94.5Very high96.7Very high89 Ų8960.2 Ų60.242%0.41631%0.311SS..G310 helixtrans-67.6-16.8175.8-65.8177-106.300112.5E331 R332E331-Q334 WeakPolarHBondContact O-CB 3.31Å; E331-Q334 WeakPolarHBondContact O-CG 3.18Å; E331-Q334 PolarHBondContact O-N 3.17Å; R332-Q334 PolarHBondContact O-N 2.65Å
335F95.9Very high96.5Very high17 Ų1765.2 Ų65.28%0.07534%0.336CS..G310 helixtrans-123.711.4-171.9-49.7-67.1000113.2M1 V70 R109 V112 L325 L330 R332 K333M1-F335 HydrophobicContact CE-CB 3.76Å; M1-F335 HydrophobicContact CE-CD2 3.46Å; M1-F335 VanDerWaalsContact CE-CD2 3.46Å; M1-F335 HydrophobicContact CE-CE2 4.33Å; M1-F335 HydrophobicContact CE-CG 3.9Å; V70-F335 HydrophobicContact CB-CD1 4.44Å; V70-F335 HydrophobicContact CG1-CD1 4.18Å; V70-F335 HydrophobicContact CG1-CE1 3.82Å; V70-F335 HydrophobicContact CG1-CZ 4.21Å; V70-F335 HydrophobicContact CG2-CB 3.78Å; V70-F335 HydrophobicContact CG2-CD1 3.35Å; V70-F335 HydrophobicContact CG2-CD2 4.05Å; V70-F335 HydrophobicContact CG2-CE1 3.83Å; V70-F335 HydrophobicContact CG2-CE2 4.45Å; V70-F335 HydrophobicContact CG2-CG 3.45Å; V70-F335 VanDerWaalsContact CG2-CG 3.45Å; V70-F335 HydrophobicContact CG2-CZ 4.33Å; R109-F335 WeakPolarHBondContact O-CD1 3.46Å; V112-F335 HydrophobicContact CG1-CE1 3.79Å; V112-F335 HydrophobicContact CG1-CZ 3.72Å; L325-F335 HydrophobicContact CD2-CD2 4.2Å; L325-F335 HydrophobicContact CD2-CE2 3.73Å; L330-F335 HydrophobicContact CB-CE2 4.38Å; L330-F335 HydrophobicContact CD1-CE2 4.34Å; L330-F335 HydrophobicContact CD1-CZ 3.86Å; R332-F335 PolarHBondContact O-N 3.3Å; K333-F335 PolarHBondContact O-N 3.26Å
336E85.9Confident96.3Very high162 Ų16269.5 Ų69.576%0.75736%0.359SS*.  trans-94.10176.8-69.8178.7167.900112.5R109 R332R109-E336 WeakPolarHBondContact CD-O 3.49Å; R109-E336 PolarHBondContact NH1-O 3.18Å; R332-E336 VanDerWaalsContact CD-OE1 3.31Å; R332-E336 WeakPolarHBondContact CD-OE1 3.43Å; R332-E336 HydrophobicContact CG-CG 4.34Å; R332-E336 WeakPolarHBondContact CG-OE1 3.24Å

Retrieved 336 of 336 residues in 223.8 ms (Link to these results)

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