A0A087Y4C7_POEFO Loading...

Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta

AlphaFold DB , UniProt , Accession A0A087Y4C7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 207 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
1M51Low74Confident207 Ų20779.3 Ų79.3100%1.0241%0.41SS*.  0121.60-69.2179.6166.600105.2
2S62.3Low74.8Confident58 Ų5879.3 Ų79.341%0.40641%0.411SS..  trans-74.7144.7-170178.70000109.7D4 E5S2-D4 PolarHBondContact O-N 3.15Å; S2-E5 PolarHBondContact N-OE2 3.14Å; S2-E5 PolarHBondContact O-N 3.14Å; S2-E5 VanDerWaalsContact O-N 3.14Å
3S73.3Confident75.7Confident88 Ų8887.8 Ų87.862%0.61544%0.443SS*.Hα-helixtrans-52.2-26.3175.248.30000113.4R7S3-R7 PolarHBondContact O-N 3.37Å
4D71.1Confident76.6Confident74 Ų7482.5 Ų82.540%0.39642%0.421SS..Hα-helixtrans-77.7-33.4-175.1-58.4-11.4000112.3S2 D6 R7 A8 L138S2-D4 PolarHBondContact O-N 3.15Å; D4-D6 VanDerWaalsContact C-N 3.35Å; D4-R7 PolarHBondContact O-N 3.03Å; D4-A8 WeakPolarHBondContact O-CB 3.44Å; D4-A8 PolarHBondContact O-N 3.14Å; D4-L138 HydrophobicContact CB-CD2 3.74Å; D4-L138 HydrophobicContact CB-CG 4.09Å; D4-L138 WeakPolarHBondContact O-CD2 3.4Å
5E72.2Confident77.5Confident77 Ų7778.4 Ų78.436%0.3640%0.399SS..Hα-helixtrans-66.5-39.4175.6-70.4179.1159.500111.1S2 K9 E141S2-E5 PolarHBondContact N-OE2 3.14Å; S2-E5 PolarHBondContact O-N 3.14Å; S2-E5 VanDerWaalsContact O-N 3.14Å; E5-K9 WeakPolarHBondContact O-CG 3.4Å; E5-K9 PolarHBondContact O-N 3.25Å; E5-E141 HydrophobicContact CB-CG 4.27Å; E5-E141 WeakPolarHBondContact CB-OE1 3.46Å; E5-E141 HydrophobicContact CG-CG 4.11Å; E5-E141 VanDerWaalsContact CG-OE1 3.26Å; E5-E141 WeakPolarHBondContact CG-OE1 3.49Å
6D79.1Confident78.4Confident80 Ų8080.5 Ų80.543%0.42840%0.404SS..Hα-helixtrans-69.4-41.4177.5-67.5-26.2000110.7D4 A8 K9 E10D4-D6 VanDerWaalsContact C-N 3.35Å; D6-A8 VanDerWaalsContact C-N 3.35Å; D6-A8 PolarHBondContact O-N 3.45Å; D6-K9 PolarHBondContact O-N 3.14Å; D6-E10 WeakPolarHBondContact O-CG 3.43Å; D6-E10 PolarHBondContact O-N 3.42Å; D6-E10 VanDerWaalsContact O-N 3.1Å
7R79.1Confident79Confident64 Ų6476.3 Ų76.324%0.24238%0.383CS..Hα-helixtrans-61-42.6174.9-178.957.4179.5168.22.2112.3S3 D4 K9 E10 I11 E69 Q70 L138S3-R7 PolarHBondContact O-N 3.37Å; D4-R7 PolarHBondContact O-N 3.03Å; R7-K9 VanDerWaalsContact C-N 3.32Å; R7-K9 PolarHBondContact O-N 2.98Å; R7-E10 IonicContact NH1-OE2 3.52Å; R7-E10 PolarHBondContact O-N 3.18Å; R7-I11 HydrophobicContact CG-CD1 4Å; R7-I11 WeakPolarHBondContact O-CG1 3.44Å; R7-I11 PolarHBondContact O-N 3.04Å; R7-E69 IonicContact CZ-OE2 3.6Å; R7-E69 IonicContact NH1-OE2 2.74Å; R7-E69 PolarHBondContact NH1-OE2 3.22Å; R7-E69 IonicContact NH2-OE2 3.6Å; R7-Q70 PolarHBondContact NH2-O 2.87Å; R7-L138 HydrophobicContact CB-CD2 4.07Å; R7-L138 HydrophobicContact CG-CD2 4.06Å
8A77.3Confident79.6Confident6 Ų674.2 Ų74.25%0.0537%0.373CS..Hα-helixtrans-58.3-43.917700000112.6D4 D6 I11 L12 E141D4-A8 WeakPolarHBondContact O-CB 3.44Å; D4-A8 PolarHBondContact O-N 3.14Å; D6-A8 VanDerWaalsContact C-N 3.35Å; D6-A8 PolarHBondContact O-N 3.45Å; A8-I11 PolarHBondContact O-N 3.34Å; A8-L12 WeakPolarHBondContact O-CB 3.45Å; A8-L12 PolarHBondContact O-N 3.24Å; A8-E141 HydrophobicContact CB-CB 4.06Å; A8-E141 HydrophobicContact CB-CG 3.82Å
9K79.6Confident80.4Confident94 Ų9474.8 Ų74.841%0.40937%0.371SS..Hα-helixtrans-65.9-38.3178.9-71.2165.9-168.5145.10111.9E5 D6 R7 K13 E141E5-K9 WeakPolarHBondContact O-CG 3.4Å; E5-K9 PolarHBondContact O-N 3.25Å; D6-K9 PolarHBondContact O-N 3.14Å; R7-K9 VanDerWaalsContact C-N 3.32Å; R7-K9 PolarHBondContact O-N 2.98Å; K9-K13 VanDerWaalsContact O-CB 3.29Å; K9-K13 WeakPolarHBondContact O-CB 3.48Å; K9-K13 PolarHBondContact O-N 3.43Å; K9-E141 WeakPolarHBondContact CE-OE1 3.42Å; K9-E141 VanDerWaalsContact CE-OE2 3.26Å; K9-E141 WeakPolarHBondContact CE-OE2 3.49Å; K9-E141 IonicContact NZ-OE1 2.91Å; K9-E141 PolarHBondContact NZ-OE1 2.91Å
10E84.3Confident80.9Confident103 Ų10372.5 Ų72.548%0.48136%0.359SS..Hα-helixtrans-62.9-48.7174.4-71.3177167.900111.6D6 R7 L12 K13 G14 E69D6-E10 WeakPolarHBondContact O-CG 3.43Å; D6-E10 PolarHBondContact O-N 3.42Å; D6-E10 VanDerWaalsContact O-N 3.1Å; R7-E10 IonicContact NH1-OE2 3.52Å; R7-E10 PolarHBondContact O-N 3.18Å; E10-L12 VanDerWaalsContact C-N 3.34Å; E10-L12 PolarHBondContact O-N 3.04Å; E10-K13 PolarHBondContact O-N 3.14Å; E10-G14 PolarHBondContact O-N 2.66Å; E10-E69 HydrophobicContact CB-CG 4.47Å
11I84.4Confident81.4Confident21 Ų2169.4 Ų69.411%0.10834%0.344CS..Hα-helixtrans-57.5-50176.4-68.8165.8000109.9R7 A8 K13 G14 F15 E69 L71 D135R7-I11 HydrophobicContact CG-CD1 4Å; R7-I11 WeakPolarHBondContact O-CG1 3.44Å; R7-I11 PolarHBondContact O-N 3.04Å; A8-I11 PolarHBondContact O-N 3.34Å; I11-K13 VanDerWaalsContact C-N 3.32Å; I11-K13 PolarHBondContact O-N 3.49Å; I11-G14 CarbonylContact O-C 3.59Å; I11-G14 PolarHBondContact O-N 3.13Å; I11-G14 VanDerWaalsContact O-N 3.09Å; I11-F15 VanDerWaalsContact O-CB 3.23Å; I11-F15 WeakPolarHBondContact O-CB 3.34Å; I11-F15 PolarHBondContact O-N 3.18Å; I11-E69 HydrophobicContact CG1-CB 3.98Å; I11-E69 HydrophobicContact CG1-CG 4.16Å; I11-L71 HydrophobicContact CB-CD2 4.36Å; I11-L71 HydrophobicContact CD1-CD2 3.64Å; I11-L71 HydrophobicContact CG1-CD2 3.74Å; I11-L71 HydrophobicContact CG2-CD2 3.68Å; I11-D135 HydrophobicContact CD1-CB 4.34Å
12L83.5Confident83.1Confident79 Ų7960.5 Ų60.541%0.41430%0.3SS..Hα-helixtrans-60.2-41.1-179.6-179.964.2000112.3A8 E10 G14 F15 P41A8-L12 WeakPolarHBondContact O-CB 3.45Å; A8-L12 PolarHBondContact O-N 3.24Å; E10-L12 VanDerWaalsContact C-N 3.34Å; E10-L12 PolarHBondContact O-N 3.04Å; L12-G14 VanDerWaalsContact C-N 3.26Å; L12-G14 PolarHBondContact O-N 3.41Å; L12-F15 PolarHBondContact O-N 3.2Å; L12-P41 HydrophobicContact CD1-CG 4.23Å; L12-P41 HydrophobicContact CD2-CG 3.88Å
13K87.3Confident84.4Confident191 Ų19161.1 Ų61.183%0.8329%0.294SS*.Hα-helixtrans-65.7-31.9177.1-176.6-178.2176.4-173.20112.3K9 E10 I11K9-K13 VanDerWaalsContact O-CB 3.29Å; K9-K13 WeakPolarHBondContact O-CB 3.48Å; K9-K13 PolarHBondContact O-N 3.43Å; E10-K13 PolarHBondContact O-N 3.14Å; I11-K13 VanDerWaalsContact C-N 3.32Å; I11-K13 PolarHBondContact O-N 3.49Å
14G87.5Confident85.2Confident13 Ų1358.2 Ų58.213%0.13427%0.272CS..Hα-helixtrans-90.8-10.2-178.900000115.4E10 I11 L12 S67 T68E10-G14 PolarHBondContact O-N 2.66Å; I11-G14 CarbonylContact O-C 3.59Å; I11-G14 PolarHBondContact O-N 3.13Å; I11-G14 VanDerWaalsContact O-N 3.09Å; L12-G14 VanDerWaalsContact C-N 3.26Å; L12-G14 PolarHBondContact O-N 3.41Å; G14-S67 WeakPolarHBondContact O-CA 3.5Å; G14-T68 WeakPolarHBondContact CA-OG1 3.36Å; G14-T68 PolarHBondContact O-N 2.77Å
15F90.6Very high85.9Confident21 Ų2156.6 Ų56.69%0.09227%0.269CS..EExtended strand (participates in β ladder)trans-95.4140.4-175.9-170.9-89.7000111I11 L12 F65 S66 F74 F133I11-F15 VanDerWaalsContact O-CB 3.23Å; I11-F15 WeakPolarHBondContact O-CB 3.34Å; I11-F15 PolarHBondContact O-N 3.18Å; L12-F15 PolarHBondContact O-N 3.2Å; F15-F65 HydrophobicContact CD2-CD2 4.25Å; F15-F65 HydrophobicContact CE1-CB 4.38Å; F15-F65 HydrophobicContact CE2-CB 4.08Å; F15-F65 AromaticContact CE2-CD2 3.37Å; F15-F65 HydrophobicContact CE2-CD2 3.37Å; F15-F65 AromaticContact CE2-CE2 4Å; F15-F65 HydrophobicContact CE2-CE2 4Å; F15-F65 AromaticContact CE2-CG 3.9Å; F15-F65 HydrophobicContact CE2-CG 3.9Å; F15-F65 HydrophobicContact CZ-CB 3.7Å; F15-F65 AromaticContact CZ-CD2 3.85Å; F15-F65 HydrophobicContact CZ-CD2 3.85Å; F15-F65 AromaticContact CZ-CG 3.87Å; F15-F65 HydrophobicContact CZ-CG 3.87Å; F15-S66 WeakPolarHBondContact CA-O 3.47Å; F15-F74 HydrophobicContact CE2-CE1 4.09Å; F15-F74 AromaticContact CE2-CE2 3.93Å; F15-F74 HydrophobicContact CE2-CE2 3.93Å; F15-F74 AromaticContact CE2-CZ 3.46Å; F15-F74 HydrophobicContact CE2-CZ 3.46Å; F15-F74 VanDerWaalsContact CE2-CZ 3.46Å; F15-F74 HydrophobicContact CZ-CE1 4.31Å; F15-F74 HydrophobicContact CZ-CE2 4.3Å; F15-F74 AromaticContact CZ-CZ 3.58Å; F15-F74 HydrophobicContact CZ-CZ 3.58Å; F15-F133 HydrophobicContact CE1-CE1 4.26Å; F15-F133 HydrophobicContact CE1-CZ 4.48Å; F15-F133 HydrophobicContact CZ-CD1 4.4Å; F15-F133 HydrophobicContact CZ-CE1 4.22Å
16K92.2Very high86.8Confident112 Ų11258.9 Ų58.949%0.48728%0.279SS..EExtended strand (participates in β ladder)trans-146.8129.1175.1178.9174.8-178.7-1790110.7D37 F65 S66K16-D37 WeakPolarHBondContact CG-OD2 3.43Å; K16-F65 CarbonylContact O-C 3.5Å; K16-F65 WeakPolarHBondContact O-CA 3.35Å; K16-F65 WeakPolarHBondContact O-CB 3.01Å; K16-S66 PolarHBondContact N-O 2.88Å; K16-S66 PolarHBondContact O-N 3.32Å
17L89Confident87.5Confident9 Ų959.6 Ų59.65%0.04729%0.287CS..EExtended strand (participates in β ladder)trans-82116.7163-171.471.4000108.8D37 L38 L63 N64 F65L17-D37 VanDerWaalsContact CB-OD1 3.28Å; L17-D37 WeakPolarHBondContact CB-OD1 3.3Å; L17-D37 PolarHBondContact N-OD1 2.98Å; L17-D37 VanDerWaalsContact N-OD1 3.1Å; L17-L38 HydrophobicContact CD2-CB 3.9Å; L17-L38 HydrophobicContact CD2-CG 4.3Å; L17-L63 HydrophobicContact CD1-CB 4.05Å; L17-L63 HydrophobicContact CD1-CD2 3.79Å; L17-L63 HydrophobicContact CD1-CG 4.48Å; L17-L63 HydrophobicContact CD2-CD2 4.32Å; L17-N64 WeakPolarHBondContact CD1-O 3.26Å; L17-F65 HydrophobicContact CD1-CB 4.27Å
18N89.9Confident88.1Confident38 Ų3858.3 Ų58.320%0.20329%0.294CS..EExtended strand (participates in β ladder)trans-83.5-43.8-176.3-60.8-44.1000111.8N64 S66N18-N64 HydrophobicContact CB-CB 4.49Å; N18-N64 WeakPolarHBondContact CB-O 3.01Å; N18-N64 WeakPolarHBondContact CB-OD1 3.22Å; N18-N64 PolarHBondContact N-O 3.24Å; N18-N64 PolarHBondContact ND2-OD1 3.09Å; N18-S66 PolarHBondContact ND2-OG 3.27Å
19W94.8Very high88.9Confident87 Ų8763.8 Ų63.833%0.3332%0.316SS..EExtended strand (participates in β ladder)trans-162.3161.7176.653.5-98.1000111G34 T35 E62 N64 T104W19-G34 CarbonylContact C-O 3.57Å; W19-G34 VanDerWaalsContact CA-O 3.26Å; W19-G34 WeakPolarHBondContact CA-O 3.25Å; W19-G34 WeakPolarHBondContact CB-O 3.4Å; W19-T35 HydrophobicContact CB-CG2 4.33Å; W19-E62 HydrophobicContact CZ3-CB 3.99Å; W19-N64 HydrophobicContact CD2-CB 3.39Å; W19-N64 HydrophobicContact CE3-CB 3.89Å; W19-N64 HydrophobicContact CG-CB 3.87Å; W19-N64 HydrophobicContact CH2-CB 3.84Å; W19-N64 HydrophobicContact CZ2-CB 3.34Å; W19-N64 HydrophobicContact CZ3-CB 4.08Å; W19-N64 PolarHBondContact N-O 2.97Å; W19-N64 VanDerWaalsContact NE1-CB 3.3Å; W19-N64 PolarHBondContact O-N 2.9Å; W19-T104 HydrophobicContact CH2-CG2 3.93Å
20M90.4Very high89.4Confident28 Ų2861.8 Ų61.814%0.13831%0.312CS..EExtended strand (participates in β ladder)trans-138.4145173179.617268.500110.2W32 Q33 G34 L38 R61 E62 L63M20-W32 HydrophobicContact CB-CH2 4.42Å; M20-W32 HydrophobicContact CB-CZ3 3.87Å; M20-W32 HydrophobicContact CE-CE3 4.21Å; M20-W32 HydrophobicContact CE-CH2 3.51Å; M20-W32 HydrophobicContact CE-CZ3 3.25Å; M20-W32 HydrophobicContact CG-CZ3 3.84Å; M20-W32 HydrophobicContact SD-CZ3 4.34Å; M20-Q33 CarbonylContact O-C 3.58Å; M20-Q33 WeakPolarHBondContact O-CA 3.44Å; M20-G34 PolarHBondContact N-O 3.05Å; M20-G34 PolarHBondContact O-N 2.88Å; M20-L38 HydrophobicContact CE-CD1 3.5Å; M20-R61 HydrophobicContact CG-CG 4.2Å; M20-R61 HydrophobicContact SD-CG 4.12Å; M20-E62 CarbonylContact C-O 3.55Å; M20-E62 VanDerWaalsContact CA-O 3.26Å; M20-E62 WeakPolarHBondContact CA-O 3.15Å; M20-L63 HydrophobicContact CB-CD2 3.91Å; M20-L63 HydrophobicContact CG-CD2 3.57Å; M20-L63 HydrophobicContact SD-CD2 3.35Å; M20-L63 WeakPolarHBondContact SD-CD2 3.31Å
21N90.4Very high89.3Confident7 Ų757.8 Ų57.84%0.03729%0.294CS..EExtended strand (participates in β ladder)trans-131.4154.4166.67564.1000112.5R23 W32 Q33 R61 E62N21-R23 PolarHBondContact OD1-NE 2.93Å; N21-W32 CarbonylContact C-O 3.54Å; N21-W32 WeakPolarHBondContact CA-O 3.2Å; N21-Q33 HydrophobicContact CB-CB 4.5Å; N21-Q33 HydrophobicContact CB-CG 3.77Å; N21-R61 WeakPolarHBondContact O-CA 3.4Å; N21-E62 PolarHBondContact N-O 3.45Å; N21-E62 PolarHBondContact ND2-OE2 3.49Å; N21-E62 PolarHBondContact O-N 3.23Å
22L86.1Confident89.5Confident20 Ų2058.7 Ų58.711%0.10530%0.296CS..EExtended strand (participates in β ladder)trans-123.4130.2173.2-59.2174.9000108.6L31 W32 V49 I53 V59 S60 R61L22-L31 PolarHBondContact O-N 3.47Å; L22-W32 HydrophobicContact CB-CB 4.27Å; L22-W32 HydrophobicContact CD1-CB 4.3Å; L22-W32 HydrophobicContact CD1-CE3 4.09Å; L22-W32 HydrophobicContact CG-CE3 3.99Å; L22-W32 PolarHBondContact N-O 3.37Å; L22-W32 PolarHBondContact O-N 2.91Å; L22-V49 HydrophobicContact CD1-CG1 4.21Å; L22-I53 HydrophobicContact CB-CD1 4.43Å; L22-I53 HydrophobicContact CD1-CD1 3.87Å; L22-V59 HydrophobicContact CB-CG1 3.92Å; L22-V59 HydrophobicContact CD2-CG1 3.96Å; L22-V59 HydrophobicContact CG-CG1 4.43Å; L22-S60 WeakPolarHBondContact CA-O 3.37Å; L22-R61 HydrophobicContact CD2-CB 3.76Å; L22-R61 HydrophobicContact CD2-CG 3.76Å
23R91Very high89.7Confident71 Ų7160.6 Ų60.627%0.26830%0.303SS..EExtended strand (participates in β ladder)trans-125.5147.3178.3-64.6169.6-175.3-900.8110N21 A25 G28 K29 V30 V59 S60N21-R23 PolarHBondContact OD1-NE 2.93Å; R23-A25 PolarHBondContact O-N 3.27Å; R23-G28 PolarHBondContact NH1-O 3.16Å; R23-K29 CarbonylContact C-O 3.51Å; R23-K29 WeakPolarHBondContact CA-O 3.47Å; R23-V30 HydrophobicContact CG-CG2 4.23Å; R23-V59 CarbonylContact O-C 3.51Å; R23-V59 WeakPolarHBondContact O-CA 3.43Å; R23-V59 WeakPolarHBondContact O-CG1 3.26Å; R23-S60 PolarHBondContact N-O 2.83Å; R23-S60 PolarHBondContact O-N 3.21Å
24D90.1Very high89.5Confident27 Ų2752.3 Ų52.314%0.14427%0.271CS..EExtended strand (participates in β ladder)trans-61.9123.7162.6179.7-58.2000108.3E26 T27 G28 K29 L31 C56D24-E26 VanDerWaalsContact C-N 3.31Å; D24-E26 PolarHBondContact O-N 3.45Å; D24-E26 PolarHBondContact OD1-N 3.13Å; D24-T27 VanDerWaalsContact CB-OG1 3.31Å; D24-T27 WeakPolarHBondContact CB-OG1 3.18Å; D24-T27 VanDerWaalsContact CG-OG1 3.24Å; D24-T27 PolarHBondContact OD1-N 3.13Å; D24-T27 PolarHBondContact OD1-OG1 2.85Å; D24-G28 VanDerWaalsContact O-CA 3.24Å; D24-G28 WeakPolarHBondContact O-CA 3.41Å; D24-G28 PolarHBondContact O-N 2.88Å; D24-K29 PolarHBondContact N-O 3Å; D24-L31 HydrophobicContact CB-CD1 4.13Å; D24-L31 HydrophobicContact CB-CG 4.37Å; D24-C56 PolarHBondContact OD2-SG 2.81Å
25A85.3Confident89.6Confident41 Ų4157.4 Ų57.434%0.33930%0.3SS..THydrogen-bonded Turntrans-71.3-24.6-173.600000113.5R23 A58 L108R23-A25 PolarHBondContact O-N 3.27Å; A25-A58 HydrophobicContact CB-CB 3.83Å; A25-A58 VanDerWaalsContact CB-O 3.29Å; A25-A58 WeakPolarHBondContact CB-O 3.4Å; A25-A58 PolarHBondContact N-O 3.25Å; A25-L108 HydrophobicContact CB-CD1 3.6Å
26E91.3Very high89.3Confident124 Ų12462.1 Ų62.158%0.57932%0.322SS*.THydrogen-bonded Turntrans-81.6-40.9179.2-64.4-172164.900111D24 K57D24-E26 VanDerWaalsContact C-N 3.31Å; D24-E26 PolarHBondContact O-N 3.45Å; D24-E26 PolarHBondContact OD1-N 3.13Å; E26-K57 VanDerWaalsContact OE1-CD 3.28Å; E26-K57 WeakPolarHBondContact OE1-CD 3.31Å; E26-K57 WeakPolarHBondContact OE1-CE 3.01Å; E26-K57 IonicContact OE1-NZ 2.71Å; E26-K57 PolarHBondContact OE1-NZ 2.93Å; E26-K57 IonicContact OE2-NZ 3.73Å
27T93.4Very high89Confident96 Ų9658.6 Ų58.659%0.58931%0.309SS*.THydrogen-bonded Turntrans-101-15.9-17365.10000114.1D24 K29D24-T27 VanDerWaalsContact CB-OG1 3.31Å; D24-T27 WeakPolarHBondContact CB-OG1 3.18Å; D24-T27 VanDerWaalsContact CG-OG1 3.24Å; D24-T27 PolarHBondContact OD1-N 3.13Å; D24-T27 PolarHBondContact OD1-OG1 2.85Å; T27-K29 PolarHBondContact O-N 3.2Å; T27-K29 WeakPolarHBondContact OG1-CB 3.27Å; T27-K29 PolarHBondContact OG1-N 3.32Å
28G91.4Very high88.7Confident37 Ų3760.1 Ų60.138%0.38132%0.317SS..  trans701.9-173.100000114.5R23 D24 V30R23-G28 PolarHBondContact NH1-O 3.16Å; D24-G28 VanDerWaalsContact O-CA 3.24Å; D24-G28 WeakPolarHBondContact O-CA 3.41Å; D24-G28 PolarHBondContact O-N 2.88Å; G28-V30 PolarHBondContact O-N 2.91Å
29K93.8Very high88.3Confident120 Ų12058.9 Ų58.952%0.52231%0.311SS..  trans-65.7129.4-178.5-177.9178177.91780110.1R23 D24 T27 L31R23-K29 CarbonylContact C-O 3.51Å; R23-K29 WeakPolarHBondContact CA-O 3.47Å; D24-K29 PolarHBondContact N-O 3Å; T27-K29 PolarHBondContact O-N 3.2Å; T27-K29 WeakPolarHBondContact OG1-CB 3.27Å; T27-K29 PolarHBondContact OG1-N 3.32Å; K29-L31 PolarHBondContact O-N 3.28Å
30V90.9Very high87.5Confident53 Ų5357.9 Ų57.932%0.32131%0.314SS..EExtended strand (participates in β ladder)trans-64.2125172.2-179.50000109.7R23 G28 Q33R23-V30 HydrophobicContact CG-CG2 4.23Å; G28-V30 PolarHBondContact O-N 2.91Å; V30-Q33 HydrophobicContact CG1-CG 3.53Å
31L82.6Confident86.8Confident19 Ų1959.6 Ų59.610%0.09933%0.328CS..EExtended strand (participates in β ladder)trans-100.8-38.6175.2-60.2176.8000111L22 D24 K29 P50 K52 I53L22-L31 PolarHBondContact O-N 3.47Å; D24-L31 HydrophobicContact CB-CD1 4.13Å; D24-L31 HydrophobicContact CB-CG 4.37Å; K29-L31 PolarHBondContact O-N 3.28Å; L31-P50 HydrophobicContact CB-CG 4.09Å; L31-P50 WeakPolarHBondContact O-CD 3.46Å; L31-P50 WeakPolarHBondContact O-CG 3.45Å; L31-K52 HydrophobicContact CD2-CD 4.12Å; L31-K52 HydrophobicContact CD2-CG 4Å; L31-I53 HydrophobicContact CD1-CB 4.09Å; L31-I53 HydrophobicContact CD1-CD1 4.24Å; L31-I53 HydrophobicContact CD1-CG1 3.77Å
32W88.6Confident86Confident40 Ų4063.2 Ų63.215%0.15237%0.366CS..EExtended strand (participates in β ladder)trans-153.4150-178.3178.787.2000111.1M20 N21 L22 L38 A47 R48 V49M20-W32 HydrophobicContact CB-CH2 4.42Å; M20-W32 HydrophobicContact CB-CZ3 3.87Å; M20-W32 HydrophobicContact CE-CE3 4.21Å; M20-W32 HydrophobicContact CE-CH2 3.51Å; M20-W32 HydrophobicContact CE-CZ3 3.25Å; M20-W32 HydrophobicContact CG-CZ3 3.84Å; M20-W32 HydrophobicContact SD-CZ3 4.34Å; N21-W32 CarbonylContact C-O 3.54Å; N21-W32 WeakPolarHBondContact CA-O 3.2Å; L22-W32 HydrophobicContact CB-CB 4.27Å; L22-W32 HydrophobicContact CD1-CB 4.3Å; L22-W32 HydrophobicContact CD1-CE3 4.09Å; L22-W32 HydrophobicContact CG-CE3 3.99Å; L22-W32 PolarHBondContact N-O 3.37Å; L22-W32 PolarHBondContact O-N 2.91Å; W32-L38 HydrophobicContact CH2-CD1 4.36Å; W32-A47 HydrophobicContact CZ2-CB 4.08Å; W32-R48 PolarHBondContact NE1-O 3.18Å; W32-V49 HydrophobicContact CB-CG1 4.14Å; W32-V49 HydrophobicContact CD2-CG1 4.34Å; W32-V49 HydrophobicContact CG-CG1 3.84Å
33Q87.3Confident85.5Confident119 Ų11965.9 Ų65.956%0.55638%0.383SS*.EExtended strand (participates in β ladder)trans-143145.7172-59.7-172.3-12.700109.4M20 N21 V30M20-Q33 CarbonylContact O-C 3.58Å; M20-Q33 WeakPolarHBondContact O-CA 3.44Å; N21-Q33 HydrophobicContact CB-CB 4.5Å; N21-Q33 HydrophobicContact CB-CG 3.77Å; V30-Q33 HydrophobicContact CG1-CG 3.53Å
34G82.9Confident84.8Confident17 Ų1766.7 Ų66.718%0.17539%0.39CS..EExtended strand (participates in β ladder)trans-146.4148.9174.100000110.9W19 M20W19-G34 CarbonylContact C-O 3.57Å; W19-G34 VanDerWaalsContact CA-O 3.26Å; W19-G34 WeakPolarHBondContact CA-O 3.25Å; W19-G34 WeakPolarHBondContact CB-O 3.4Å; M20-G34 PolarHBondContact N-O 3.05Å; M20-G34 PolarHBondContact O-N 2.88Å
35T90.5Very high84.2Confident120 Ų12066.8 Ų66.874%0.73639%0.39SS*.  trans-116.78.5177.659.80000111.9W19W19-T35 HydrophobicContact CB-CG2 4.33Å
36E84.3Confident83.9Confident120 Ų12068.7 Ų68.756%0.56139%0.392SS*.SBendtrans-77.4144.1175.6-65.5-179.3-177.600109.8L38E36-L38 HydrophobicContact CB-CD2 4.31Å; E36-L38 PolarHBondContact O-N 3.16Å
37D84.6Confident83.1Confident37 Ų3763.5 Ų63.520%0.19837%0.37CS..  trans-81.588.7176.5-171.8-4.4000110.3K16 L17 S39 V40 H45K16-D37 WeakPolarHBondContact CG-OD2 3.43Å; L17-D37 VanDerWaalsContact CB-OD1 3.28Å; L17-D37 WeakPolarHBondContact CB-OD1 3.3Å; L17-D37 PolarHBondContact N-OD1 2.98Å; L17-D37 VanDerWaalsContact N-OD1 3.1Å; D37-S39 PolarHBondContact O-N 3.34Å; D37-S39 VanDerWaalsContact OD1-CB 3.32Å; D37-S39 WeakPolarHBondContact OD1-CB 3.42Å; D37-S39 PolarHBondContact OD1-N 3.03Å; D37-S39 PolarHBondContact OD1-OG 3.27Å; D37-V40 HydrophobicContact CB-CG2 4.04Å; D37-V40 WeakPolarHBondContact O-CG2 3.31Å; D37-V40 PolarHBondContact O-N 2.99Å; D37-H45 PolarHBondContact O-CE1 3.47Å; D37-H45 VanDerWaalsContact O-CE1 3.24Å
38L82.9Confident82.4Confident41 Ų4164.2 Ų64.222%0.21536%0.362CS..THydrogen-bonded Turntrans-72.2-1179.1-54.9177.6000113.3L17 M20 W32 E36 H45L17-L38 HydrophobicContact CD2-CB 3.9Å; L17-L38 HydrophobicContact CD2-CG 4.3Å; M20-L38 HydrophobicContact CE-CD1 3.5Å; W32-L38 HydrophobicContact CH2-CD1 4.36Å; E36-L38 HydrophobicContact CB-CD2 4.31Å; E36-L38 PolarHBondContact O-N 3.16Å; L38-H45 HydrophobicContact CD2-CB 3.54Å
39S81.6Confident81.7Confident13 Ų1362.6 Ų62.69%0.09135%0.345CS..THydrogen-bonded Turntrans-85.2-13.2176.276.40000113.3D37 P41D37-S39 PolarHBondContact O-N 3.34Å; D37-S39 VanDerWaalsContact OD1-CB 3.32Å; D37-S39 WeakPolarHBondContact OD1-CB 3.42Å; D37-S39 PolarHBondContact OD1-N 3.03Å; D37-S39 PolarHBondContact OD1-OG 3.27Å; S39-P41 WeakPolarHBondContact O-CD 3.46Å
40V77.9Confident81Confident65 Ų6557.1 Ų57.139%0.39432%0.322SS..  trans-65.3120.7-178.7178.90000110.4D37 V43 H45D37-V40 HydrophobicContact CB-CG2 4.04Å; D37-V40 WeakPolarHBondContact O-CG2 3.31Å; D37-V40 PolarHBondContact O-N 2.99Å; V40-V43 HydrophobicContact CB-CG2 4.39Å; V40-V43 HydrophobicContact CG1-CG2 4.1Å; V40-H45 PolarHBondContact O-NE2 3.43Å
41P75.6Confident80.6Confident65 Ų6557.8 Ų57.842%0.42232%0.32SS..THydrogen-bonded Turntrans-81.8163.8-179.832.6-34.2000112.3L12 S39 V43L12-P41 HydrophobicContact CD1-CG 4.23Å; L12-P41 HydrophobicContact CD2-CG 3.88Å; S39-P41 WeakPolarHBondContact O-CD 3.46Å; P41-V43 PolarHBondContact O-N 2.77Å
42G74.6Confident80.6Confident82 Ų8259.3 Ų59.385%0.84533%0.326SS*.THydrogen-bonded Turntrans801.1174.500000115
43V75.7Confident80.2Confident76 Ų7658.6 Ų58.646%0.46133%0.325SS..SBendtrans-124.8145.5173.8-62.60000109.8V40 P41 H45V40-V43 HydrophobicContact CB-CG2 4.39Å; V40-V43 HydrophobicContact CG1-CG2 4.1Å; P41-V43 PolarHBondContact O-N 2.77Å; V43-H45 WeakPolarHBondContact CG2-CE1 3.35Å; V43-H45 WeakPolarHBondContact CG2-NE2 3.49Å
44E75.5Confident79.9Confident89 Ų8954.8 Ų54.842%0.41631%0.308SS..  trans-87.2120169.8-177.5167.3116.100108.6R172 A173 S174E44-R172 HydrophobicContact CG-CB 3.93Å; E44-R172 HydrophobicContact CG-CG 4.15Å; E44-R172 WeakPolarHBondContact OE1-CD 3.27Å; E44-R172 WeakPolarHBondContact OE1-CG 3.4Å; E44-R172 IonicContact OE1-CZ 3.87Å; E44-R172 IonicContact OE1-NE 2.84Å; E44-R172 PolarHBondContact OE1-NE 2.76Å; E44-R172 IonicContact OE1-NH1 2.7Å; E44-R172 PolarHBondContact OE1-NH1 3.45Å; E44-A173 CarbonylContact C-O 3.59Å; E44-A173 VanDerWaalsContact CA-O 3.25Å; E44-A173 WeakPolarHBondContact CA-O 3.41Å; E44-S174 WeakPolarHBondContact OE2-CB 3.17Å; E44-S174 PolarHBondContact OE2-OG 2.7Å
45H78Confident79.9Confident28 Ų2861.6 Ų61.613%0.1333%0.333CS..EExtended strand (participates in β ladder)trans-92.6147177.3-58.2-84.4000110.7D37 L38 V40 V43 R172 A173D37-H45 PolarHBondContact O-CE1 3.47Å; D37-H45 VanDerWaalsContact O-CE1 3.24Å; L38-H45 HydrophobicContact CD2-CB 3.54Å; V40-H45 PolarHBondContact O-NE2 3.43Å; V43-H45 WeakPolarHBondContact CG2-CE1 3.35Å; V43-H45 WeakPolarHBondContact CG2-NE2 3.49Å; H45-R172 CarbonylContact O-C 3.54Å; H45-R172 VanDerWaalsContact O-CA 3.3Å; H45-R172 WeakPolarHBondContact O-CA 3.27Å; H45-A173 HydrophobicContact CB-CB 4.28Å; H45-A173 PolarHBondContact N-O 2.98Å; H45-A173 PolarHBondContact O-N 2.8Å
46E78.8Confident79.3Confident81 Ų8156.3 Ų56.338%0.37930%0.3SS..EExtended strand (participates in β ladder)trans-113.2125.7177.8-72.1-161.9163.100111.3L170 R172E46-L170 HydrophobicContact CB-CD1 3.83Å; E46-L170 HydrophobicContact CG-CD1 3.97Å; E46-R172 HydrophobicContact CG-CG 4.33Å; E46-R172 IonicContact OE1-NE 3.37Å; E46-R172 IonicContact OE1-NH2 3.38Å
47A75.1Confident79.3Confident16 Ų1657.4 Ų57.413%0.13230%0.303CS..EExtended strand (participates in β ladder)trans-119.3129.2171.700000110.5W32 I171W32-A47 HydrophobicContact CZ2-CB 4.08Å; A47-I171 HydrophobicContact CB-CB 4.43Å; A47-I171 PolarHBondContact N-O 2.85Å; A47-I171 PolarHBondContact O-N 3.43Å
48R77.6Confident79.3Confident111 Ų11156.3 Ų56.342%0.41930%0.3SS..EExtended strand (participates in β ladder)trans-105.7100.3177.8-63.4-178.4-170.8170.83.6110W32 A168 V169 L170W32-R48 PolarHBondContact NE1-O 3.18Å; R48-A168 HydrophobicContact CB-CB 3.94Å; R48-V169 WeakPolarHBondContact CA-O 3.43Å; R48-L170 HydrophobicContact CG-CD1 4.05Å
49V77.6Confident79.5Confident3 Ų355.1 Ų55.12%0.01829%0.294CS..EExtended strand (participates in β ladder)trans-102.5145.5-177-59.20000111.3L22 W32 I53 A168 V169 I171L22-V49 HydrophobicContact CD1-CG1 4.21Å; W32-V49 HydrophobicContact CB-CG1 4.14Å; W32-V49 HydrophobicContact CD2-CG1 4.34Å; W32-V49 HydrophobicContact CG-CG1 3.84Å; V49-I53 HydrophobicContact CB-CG2 4.5Å; V49-I53 HydrophobicContact CG2-CG2 4.02Å; V49-A168 CarbonylContact O-C 3.49Å; V49-A168 VanDerWaalsContact O-CA 3.31Å; V49-A168 WeakPolarHBondContact O-CA 3.15Å; V49-A168 WeakPolarHBondContact O-CB 3.49Å; V49-V169 HydrophobicContact CG2-CB 3.91Å; V49-V169 PolarHBondContact N-O 3.34Å; V49-V169 PolarHBondContact O-N 2.85Å; V49-I171 HydrophobicContact CG1-CD1 4.13Å; V49-I171 HydrophobicContact CG2-CD1 3.64Å; V49-I171 HydrophobicContact CG2-CG1 4.21Å
50P78.6Confident79.9Confident5 Ų555 Ų553%0.03229%0.293CS..EExtended strand (participates in β ladder)trans-71140.3-177.731.2-37.4000111L31 K52 I53 E166L31-P50 HydrophobicContact CB-CG 4.09Å; L31-P50 WeakPolarHBondContact O-CD 3.46Å; L31-P50 WeakPolarHBondContact O-CG 3.45Å; P50-K52 HydrophobicContact CB-CG 4.06Å; P50-K52 HydrophobicContact CG-CG 4.15Å; P50-K52 PolarHBondContact O-N 3.15Å; P50-I53 WeakPolarHBondContact O-CB 3.22Å; P50-I53 WeakPolarHBondContact O-CG2 3.37Å; P50-I53 PolarHBondContact O-N 2.84Å; P50-E166 WeakPolarHBondContact CB-OE2 3.12Å
51K82.1Confident80.7Confident66 Ų6652.1 Ų52.129%0.28728%0.275SS..G310 helixtrans-54-27.9-177.9-72.3-179.2179.8172.30114.7I53 L54 A120 T167 V169K51-I53 PolarHBondContact O-N 3.23Å; K51-I53 VanDerWaalsContact O-N 3.15Å; K51-L54 WeakPolarHBondContact O-CB 3.29Å; K51-L54 PolarHBondContact O-N 3.37Å; K51-L54 VanDerWaalsContact O-N 3.11Å; K51-A120 HydrophobicContact CB-CB 4.14Å; K51-A120 HydrophobicContact CD-CB 3.49Å; K51-A120 VanDerWaalsContact CD-CB 3.49Å; K51-A120 HydrophobicContact CG-CB 3.53Å; K51-T167 WeakPolarHBondContact CD-OG1 3.35Å; K51-T167 VanDerWaalsContact CE-CB 3.49Å; K51-T167 WeakPolarHBondContact CE-OG1 3.41Å; K51-T167 VanDerWaalsContact CG-O 3.27Å; K51-T167 WeakPolarHBondContact CG-O 3.47Å; K51-T167 VanDerWaalsContact NZ-CB 3.31Å; K51-T167 PolarHBondContact NZ-OG1 2.74Å; K51-V169 HydrophobicContact CG-CG2 3.86Å
52K82.8Confident81.5Confident51 Ų5150.8 Ų50.822%0.22226%0.263CS..G310 helixtrans-60.5-19.8177.866.9-172.7170.6-1190113.3L31 P50 L54 K55 D164 E166L31-K52 HydrophobicContact CD2-CD 4.12Å; L31-K52 HydrophobicContact CD2-CG 4Å; P50-K52 HydrophobicContact CB-CG 4.06Å; P50-K52 HydrophobicContact CG-CG 4.15Å; P50-K52 PolarHBondContact O-N 3.15Å; K52-L54 PolarHBondContact O-N 2.98Å; K52-K55 WeakPolarHBondContact O-CB 3.11Å; K52-K55 PolarHBondContact O-N 3.47Å; K52-D164 IonicContact NZ-OD2 3.94Å; K52-E166 IonicContact NZ-OE1 3.37Å; K52-E166 PolarHBondContact NZ-OE1 3.03Å; K52-E166 IonicContact NZ-OE2 2.65Å; K52-E166 PolarHBondContact NZ-OE2 2.87Å
53I81.3Confident82.3Confident25 Ų2547.3 Ų47.313%0.12823%0.225CC..G310 helixtrans-58.8-31.6173.6-162165.9000112.6L22 L31 V49 P50 K51 K55 C56 V59L22-I53 HydrophobicContact CB-CD1 4.43Å; L22-I53 HydrophobicContact CD1-CD1 3.87Å; L31-I53 HydrophobicContact CD1-CB 4.09Å; L31-I53 HydrophobicContact CD1-CD1 4.24Å; L31-I53 HydrophobicContact CD1-CG1 3.77Å; V49-I53 HydrophobicContact CB-CG2 4.5Å; V49-I53 HydrophobicContact CG2-CG2 4.02Å; P50-I53 WeakPolarHBondContact O-CB 3.22Å; P50-I53 WeakPolarHBondContact O-CG2 3.37Å; P50-I53 PolarHBondContact O-N 2.84Å; K51-I53 PolarHBondContact O-N 3.23Å; K51-I53 VanDerWaalsContact O-N 3.15Å; I53-K55 PolarHBondContact O-N 2.84Å; I53-C56 WeakPolarHBondContact O-CB 3.41Å; I53-C56 PolarHBondContact O-N 3.41Å; I53-V59 HydrophobicContact CD1-CG1 4.28Å; I53-V59 HydrophobicContact CD1-CG2 4.15Å; I53-V59 HydrophobicContact CG1-CG2 3.68Å
54L79.8Confident83.3Confident39 Ų3944.4 Ų44.420%0.20421%0.207CC..G310 helixtrans-71.4-10.6178.7-57.9172.4000113.2K51 K52 M117 A120 L123 V169K51-L54 WeakPolarHBondContact O-CB 3.29Å; K51-L54 PolarHBondContact O-N 3.37Å; K51-L54 VanDerWaalsContact O-N 3.11Å; K52-L54 PolarHBondContact O-N 2.98Å; L54-M117 HydrophobicContact CB-CE 4.2Å; L54-M117 HydrophobicContact CD2-CE 3.7Å; L54-A120 HydrophobicContact CD1-CB 3.67Å; L54-L123 HydrophobicContact CD1-CD1 3.74Å; L54-L123 HydrophobicContact CD2-CD1 3.67Å; L54-L123 HydrophobicContact CG-CD1 4.37Å; L54-V169 HydrophobicContact CD1-CG2 4.31Å
55K82.3Confident84.3Confident161 Ų16140.3 Ų40.370%0.719%0.188SC*.G310 helixtrans-98.1-8.8176.6-58.2-174.4175.2-171.90112.5K52 I53K52-K55 WeakPolarHBondContact O-CB 3.11Å; K52-K55 PolarHBondContact O-N 3.47Å; I53-K55 PolarHBondContact O-N 2.84Å
56C78.9Confident85.2Confident8 Ų840.3 Ų40.35%0.05419%0.191CC..  trans-72.8133.5178.6-63.60000108.9D24 I53 A58 V59 A111D24-C56 PolarHBondContact OD2-SG 2.81Å; I53-C56 WeakPolarHBondContact O-CB 3.41Å; I53-C56 PolarHBondContact O-N 3.41Å; C56-A58 PolarHBondContact O-N 2.83Å; C56-V59 HydrophobicContact CB-CG2 4.06Å; C56-A111 VanDerWaalsContact O-CB 3.24Å; C56-A111 WeakPolarHBondContact O-CB 3.31Å
57K83.8Confident85.8Confident144 Ų14436.5 Ų36.563%0.62617%0.173SC*.SBendtrans-66.1-33.2172.2-59.6-162.8-160.9119.60112E26 A111E26-K57 VanDerWaalsContact OE1-CD 3.28Å; E26-K57 WeakPolarHBondContact OE1-CD 3.31Å; E26-K57 WeakPolarHBondContact OE1-CE 3.01Å; E26-K57 IonicContact OE1-NZ 2.71Å; E26-K57 PolarHBondContact OE1-NZ 2.93Å; E26-K57 IonicContact OE2-NZ 3.73Å; K57-A111 WeakPolarHBondContact O-CB 3.08Å; K57-A111 PolarHBondContact O-N 3.43Å
58A85.2Confident86.8Confident14 Ų1438.5 Ų38.512%0.11618%0.184CC..EExtended strand (participates in β ladder)trans-149.8152.1172.200000110.4A25 C56 L108 I109A25-A58 HydrophobicContact CB-CB 3.83Å; A25-A58 VanDerWaalsContact CB-O 3.29Å; A25-A58 WeakPolarHBondContact CB-O 3.4Å; A25-A58 PolarHBondContact N-O 3.25Å; C56-A58 PolarHBondContact O-N 2.83Å; A58-L108 HydrophobicContact CB-CD1 3.89Å; A58-L108 HydrophobicContact CB-CG 4.29Å; A58-I109 CarbonylContact C-O 3.53Å; A58-I109 WeakPolarHBondContact CA-O 3.22Å; A58-I109 WeakPolarHBondContact CB-O 3.43Å
59V87.9Confident87.4Confident15 Ų1535.7 Ų35.79%0.09118%0.175CC..EExtended strand (participates in β ladder)trans-116124.5176.8178.70000108.4L22 R23 I53 C56 I109L22-V59 HydrophobicContact CB-CG1 3.92Å; L22-V59 HydrophobicContact CD2-CG1 3.96Å; L22-V59 HydrophobicContact CG-CG1 4.43Å; R23-V59 CarbonylContact O-C 3.51Å; R23-V59 WeakPolarHBondContact O-CA 3.43Å; R23-V59 WeakPolarHBondContact O-CG1 3.26Å; I53-V59 HydrophobicContact CD1-CG1 4.28Å; I53-V59 HydrophobicContact CD1-CG2 4.15Å; I53-V59 HydrophobicContact CG1-CG2 3.68Å; C56-V59 HydrophobicContact CB-CG2 4.06Å; V59-I109 PolarHBondContact N-O 3.36Å; V59-I109 PolarHBondContact O-N 3.5Å
60S89.9Confident88.1Confident10 Ų1039 Ų397%0.0719%0.191CC..EExtended strand (participates in β ladder)trans-84.8120.3168.9-179.50000108.6L22 R23 Q106L22-S60 WeakPolarHBondContact CA-O 3.37Å; R23-S60 PolarHBondContact N-O 2.83Å; R23-S60 PolarHBondContact O-N 3.21Å; S60-Q106 PolarHBondContact OG-NE2 2.9Å
61R93Very high88.6Confident5 Ų538.8 Ų38.82%0.01919%0.189CC..EExtended strand (participates in β ladder)trans-102.9135.2174.4179.6-178.768.5-161-0.5109.8M20 N21 L22 L63 F92 Q106 S107 I109M20-R61 HydrophobicContact CG-CG 4.2Å; M20-R61 HydrophobicContact SD-CG 4.12Å; N21-R61 WeakPolarHBondContact O-CA 3.4Å; L22-R61 HydrophobicContact CD2-CB 3.76Å; L22-R61 HydrophobicContact CD2-CG 3.76Å; R61-L63 HydrophobicContact CG-CD2 4.47Å; R61-L63 HydrophobicContact CG-CG 4.29Å; R61-F92 VanDerWaalsContact NH2-CD2 3.28Å; R61-F92 VanDerWaalsContact NH2-CE2 3.34Å; R61-Q106 CarbonylContact O-C 3.58Å; R61-Q106 VanDerWaalsContact O-CA 3.27Å; R61-Q106 WeakPolarHBondContact O-CA 3.5Å; R61-S107 PolarHBondContact N-O 3.02Å; R61-S107 PolarHBondContact NH2-OG 3.24Å; R61-S107 PolarHBondContact O-N 3.14Å; R61-I109 HydrophobicContact CB-CD1 4.35Å
62E93.6Very high88.9Confident38 Ų3840.6 Ų40.618%0.17820%0.199CC..EExtended strand (participates in β ladder)trans-118.2126.9165.6-68.4171.7-17700109.5W19 M20 N21 W105 Q106W19-E62 HydrophobicContact CZ3-CB 3.99Å; M20-E62 CarbonylContact C-O 3.55Å; M20-E62 VanDerWaalsContact CA-O 3.26Å; M20-E62 WeakPolarHBondContact CA-O 3.15Å; N21-E62 PolarHBondContact N-O 3.45Å; N21-E62 PolarHBondContact ND2-OE2 3.49Å; N21-E62 PolarHBondContact O-N 3.23Å; E62-W105 CarbonylContact C-O 3.59Å; E62-W105 WeakPolarHBondContact CA-O 3.39Å; E62-Q106 HydrophobicContact CG-CB 4.22Å; E62-Q106 HydrophobicContact CG-CG 3.98Å
63L91.2Very high89.1Confident9 Ų942.4 Ų42.45%0.04721%0.207CC..EExtended strand (participates in β ladder)trans-107.7136.3171.6-63.5169.5000108.2L17 M20 R61 L76 T104 W105L17-L63 HydrophobicContact CD1-CB 4.05Å; L17-L63 HydrophobicContact CD1-CD2 3.79Å; L17-L63 HydrophobicContact CD1-CG 4.48Å; L17-L63 HydrophobicContact CD2-CD2 4.32Å; M20-L63 HydrophobicContact CB-CD2 3.91Å; M20-L63 HydrophobicContact CG-CD2 3.57Å; M20-L63 HydrophobicContact SD-CD2 3.35Å; M20-L63 WeakPolarHBondContact SD-CD2 3.31Å; R61-L63 HydrophobicContact CG-CD2 4.47Å; R61-L63 HydrophobicContact CG-CG 4.29Å; L63-L76 HydrophobicContact CD1-CD1 4.36Å; L63-T104 CarbonylContact O-C 3.6Å; L63-T104 VanDerWaalsContact O-CA 3.31Å; L63-T104 WeakPolarHBondContact O-CA 3.37Å; L63-W105 HydrophobicContact CB-CB 4.46Å; L63-W105 HydrophobicContact CD1-CE3 3.87Å; L63-W105 HydrophobicContact CD1-CZ3 4.32Å; L63-W105 PolarHBondContact N-O 3.18Å; L63-W105 PolarHBondContact O-N 2.84Å
64N97.5Very high89.6Confident15 Ų1541.5 Ų41.58%0.0820%0.202CC..EExtended strand (participates in β ladder)trans-116.5126164.6-175.1-88.8000109.5L17 N18 W19 T102 N103 T104L17-N64 WeakPolarHBondContact CD1-O 3.26Å; N18-N64 HydrophobicContact CB-CB 4.49Å; N18-N64 WeakPolarHBondContact CB-O 3.01Å; N18-N64 WeakPolarHBondContact CB-OD1 3.22Å; N18-N64 PolarHBondContact N-O 3.24Å; N18-N64 PolarHBondContact ND2-OD1 3.09Å; W19-N64 HydrophobicContact CD2-CB 3.39Å; W19-N64 HydrophobicContact CE3-CB 3.89Å; W19-N64 HydrophobicContact CG-CB 3.87Å; W19-N64 HydrophobicContact CH2-CB 3.84Å; W19-N64 HydrophobicContact CZ2-CB 3.34Å; W19-N64 HydrophobicContact CZ3-CB 4.08Å; W19-N64 PolarHBondContact N-O 2.97Å; W19-N64 VanDerWaalsContact NE1-CB 3.3Å; W19-N64 PolarHBondContact O-N 2.9Å; N64-T102 WeakPolarHBondContact OD1-CG2 3.17Å; N64-N103 VanDerWaalsContact CA-O 3.24Å; N64-N103 WeakPolarHBondContact CA-O 3.09Å; N64-N103 PolarHBondContact ND2-O 2.75Å; N64-T104 PolarHBondContact ND2-OG1 3.38Å
65F95Very high89.9Confident2 Ų242 Ų421%0.00920%0.201CC..EExtended strand (participates in β ladder)trans-138.2157.3-176.468.5-88.7000110.7F15 K16 L17 F74 F94 V97 T102 N103 W105F15-F65 HydrophobicContact CD2-CD2 4.25Å; F15-F65 HydrophobicContact CE1-CB 4.38Å; F15-F65 HydrophobicContact CE2-CB 4.08Å; F15-F65 AromaticContact CE2-CD2 3.37Å; F15-F65 HydrophobicContact CE2-CD2 3.37Å; F15-F65 AromaticContact CE2-CE2 4Å; F15-F65 HydrophobicContact CE2-CE2 4Å; F15-F65 AromaticContact CE2-CG 3.9Å; F15-F65 HydrophobicContact CE2-CG 3.9Å; F15-F65 HydrophobicContact CZ-CB 3.7Å; F15-F65 AromaticContact CZ-CD2 3.85Å; F15-F65 HydrophobicContact CZ-CD2 3.85Å; F15-F65 AromaticContact CZ-CG 3.87Å; F15-F65 HydrophobicContact CZ-CG 3.87Å; K16-F65 CarbonylContact O-C 3.5Å; K16-F65 WeakPolarHBondContact O-CA 3.35Å; K16-F65 WeakPolarHBondContact O-CB 3.01Å; L17-F65 HydrophobicContact CD1-CB 4.27Å; F65-F74 HydrophobicContact CD1-CE1 4.34Å; F65-F74 HydrophobicContact CD2-CE1 4.36Å; F65-F74 HydrophobicContact CE1-CD1 4.3Å; F65-F74 AromaticContact CE1-CE1 3.83Å; F65-F74 HydrophobicContact CE1-CE1 3.83Å; F65-F74 HydrophobicContact CE2-CD1 4.09Å; F65-F74 AromaticContact CE2-CE1 3.85Å; F65-F74 HydrophobicContact CE2-CE1 3.85Å; F65-F74 AromaticContact CZ-CD1 3.69Å; F65-F74 HydrophobicContact CZ-CD1 3.69Å; F65-F74 AromaticContact CZ-CE1 3.56Å; F65-F74 HydrophobicContact CZ-CE1 3.56Å; F65-F94 HydrophobicContact CE1-CD2 4.26Å; F65-F94 HydrophobicContact CE1-CE2 4.18Å; F65-F94 HydrophobicContact CE1-CZ 4.42Å; F65-F94 HydrophobicContact CZ-CD1 4.09Å; F65-F94 HydrophobicContact CZ-CD2 4.35Å; F65-F94 HydrophobicContact CZ-CE1 4Å; F65-F94 HydrophobicContact CZ-CE2 4.24Å; F65-F94 HydrophobicContact CZ-CG 4.27Å; F65-F94 HydrophobicContact CZ-CZ 4.07Å; F65-V97 HydrophobicContact CE2-CG1 4.15Å; F65-V97 HydrophobicContact CE2-CG2 4.05Å; F65-V97 HydrophobicContact CZ-CG2 4.11Å; F65-T102 CarbonylContact O-C 3.52Å; F65-T102 WeakPolarHBondContact O-CA 3.15Å; F65-N103 HydrophobicContact CD1-CB 4.43Å; F65-N103 HydrophobicContact CE1-CB 3.86Å; F65-N103 HydrophobicContact CE2-CB 4.22Å; F65-N103 HydrophobicContact CZ-CB 3.74Å; F65-N103 PolarHBondContact N-O 2.9Å; F65-N103 PolarHBondContact O-N 2.88Å; F65-W105 HydrophobicContact CE1-CB 4.16Å
66S96.4Very high90Very high28 Ų2834.5 Ų34.520%0.19617%0.169CC..EExtended strand (participates in β ladder)trans-119.7147.4171.7-59.70000109.7F15 K16 N18 S101 T102F15-S66 WeakPolarHBondContact CA-O 3.47Å; K16-S66 PolarHBondContact N-O 2.88Å; K16-S66 PolarHBondContact O-N 3.32Å; N18-S66 PolarHBondContact ND2-OG 3.27Å; S66-S101 VanDerWaalsContact CA-O 3.22Å; S66-S101 WeakPolarHBondContact CA-O 3.33Å; S66-T102 PolarHBondContact OG-OG1 3.11Å
67S91.9Very high90.2Very high2 Ų236 Ų361%0.01418%0.175CC..EExtended strand (participates in β ladder)trans-136.6127173.6-172.90000109.4G14 E69 N100 S101G14-S67 WeakPolarHBondContact O-CA 3.5Å; S67-E69 WeakPolarHBondContact CB-O 3.16Å; S67-E69 PolarHBondContact OG-N 2.73Å; S67-E69 PolarHBondContact OG-O 2.89Å; S67-N100 CarbonylContact O-C 3.57Å; S67-N100 WeakPolarHBondContact O-CA 3.33Å; S67-N100 PolarHBondContact O-N 2.99Å; S67-S101 PolarHBondContact N-O 2.97Å; S67-S101 PolarHBondContact O-N 3.15Å
68T96.1Very high90.1Very high57 Ų5729.9 Ų29.935%0.3515%0.148SC..SBendtrans-71.8-37.1168.362.30000110.9G14 P99 N100G14-T68 WeakPolarHBondContact CA-OG1 3.36Å; G14-T68 PolarHBondContact O-N 2.77Å; T68-P99 WeakPolarHBondContact O-CA 3.31Å; T68-P99 WeakPolarHBondContact O-CB 3.28Å; T68-N100 PolarHBondContact O-N 3.07Å
69E89.9Confident90Very high52 Ų5231.8 Ų31.824%0.24315%0.154CC..SBendtrans-83.3146.5-178.6-60.3-46.3122.600111.9R7 E10 I11 S67R7-E69 IonicContact CZ-OE2 3.6Å; R7-E69 IonicContact NH1-OE2 2.74Å; R7-E69 PolarHBondContact NH1-OE2 3.22Å; R7-E69 IonicContact NH2-OE2 3.6Å; E10-E69 HydrophobicContact CB-CG 4.47Å; I11-E69 HydrophobicContact CG1-CB 3.98Å; I11-E69 HydrophobicContact CG1-CG 4.16Å; S67-E69 WeakPolarHBondContact CB-O 3.16Å; S67-E69 PolarHBondContact OG-N 2.73Å; S67-E69 PolarHBondContact OG-O 2.89Å
70Q93.1Very high89.5Confident73 Ų7331.9 Ų31.934%0.34116%0.155SC..  trans-69.6138.1165.4-179.2172.9-59.900109.9R7 E72 F96 V97 P99R7-Q70 PolarHBondContact NH2-O 2.87Å; Q70-E72 PolarHBondContact NE2-OE1 3.37Å; Q70-F96 HydrophobicContact CG-CE2 3.72Å; Q70-F96 HydrophobicContact CG-CZ 3.78Å; Q70-V97 WeakPolarHBondContact CA-O 3.35Å; Q70-P99 HydrophobicContact CB-CB 4.22Å; Q70-P99 HydrophobicContact CB-CG 4.3Å
71L89.1Confident89Confident1 Ų132.9 Ų32.91%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-121.2134.4171.3-47.5175.3000108.8I11 F74 F96 V97 D135I11-L71 HydrophobicContact CB-CD2 4.36Å; I11-L71 HydrophobicContact CD1-CD2 3.64Å; I11-L71 HydrophobicContact CG1-CD2 3.74Å; I11-L71 HydrophobicContact CG2-CD2 3.68Å; L71-F74 HydrophobicContact CB-CB 4.08Å; L71-F74 HydrophobicContact CD1-CB 3.86Å; L71-F74 HydrophobicContact CD1-CD2 3.51Å; L71-F74 HydrophobicContact CD1-CE2 4.16Å; L71-F74 HydrophobicContact CD1-CG 3.73Å; L71-F96 CarbonylContact O-C 3.52Å; L71-F96 WeakPolarHBondContact O-CA 3.44Å; L71-F96 WeakPolarHBondContact O-CD2 3.36Å; L71-V97 HydrophobicContact CB-CB 3.83Å; L71-V97 HydrophobicContact CB-CG2 4.08Å; L71-V97 HydrophobicContact CD1-CB 4.15Å; L71-V97 HydrophobicContact CD1-CG2 3.99Å; L71-V97 HydrophobicContact CG-CB 4.03Å; L71-V97 HydrophobicContact CG-CG2 4.34Å; L71-V97 PolarHBondContact N-O 2.9Å; L71-V97 VanDerWaalsContact N-O 3.11Å; L71-V97 PolarHBondContact O-N 2.92Å; L71-D135 WeakPolarHBondContact CA-OD2 3.5Å; L71-D135 HydrophobicContact CB-CB 4.33Å; L71-D135 HydrophobicContact CD2-CB 4.02Å
72E87.9Confident88.4Confident104 Ų10433.6 Ų33.649%0.48616%0.161SC..EExtended strand (participates in β ladder)trans-81.5-44.8-179-65.8-60.115200111.8Q70 D135Q70-E72 PolarHBondContact NE2-OE1 3.37Å; E72-D135 PolarHBondContact N-OD1 3.43Å
73K88.3Confident87.8Confident88 Ų8838 Ų3838%0.38318%0.18SC..EExtended strand (participates in β ladder)trans-142.567.3-176.4-163.5179.5-176.8-176.10110.6R75 E93 D135 N136K73-R75 PolarHBondContact O-N 2.98Å; K73-E93 WeakPolarHBondContact CE-OE1 3.36Å; K73-E93 WeakPolarHBondContact CE-OE2 3.24Å; K73-E93 IonicContact NZ-OE1 3.9Å; K73-E93 IonicContact NZ-OE2 3.36Å; K73-E93 PolarHBondContact NZ-OE2 3.47Å; K73-D135 PolarHBondContact N-OD1 3.09Å; K73-N136 PolarHBondContact O-N 3Å
74F90.1Very high87.1Confident6 Ų640.5 Ų40.53%0.02621%0.208CC..EExtended strand (participates in β ladder)trans-63.3125.5178.1-175.8-128.9000110.7F15 F65 L71 F94 G95 V97 W105 F133 Y134F15-F74 HydrophobicContact CE2-CE1 4.09Å; F15-F74 AromaticContact CE2-CE2 3.93Å; F15-F74 HydrophobicContact CE2-CE2 3.93Å; F15-F74 AromaticContact CE2-CZ 3.46Å; F15-F74 HydrophobicContact CE2-CZ 3.46Å; F15-F74 VanDerWaalsContact CE2-CZ 3.46Å; F15-F74 HydrophobicContact CZ-CE1 4.31Å; F15-F74 HydrophobicContact CZ-CE2 4.3Å; F15-F74 AromaticContact CZ-CZ 3.58Å; F15-F74 HydrophobicContact CZ-CZ 3.58Å; F65-F74 HydrophobicContact CD1-CE1 4.34Å; F65-F74 HydrophobicContact CD2-CE1 4.36Å; F65-F74 HydrophobicContact CE1-CD1 4.3Å; F65-F74 AromaticContact CE1-CE1 3.83Å; F65-F74 HydrophobicContact CE1-CE1 3.83Å; F65-F74 HydrophobicContact CE2-CD1 4.09Å; F65-F74 AromaticContact CE2-CE1 3.85Å; F65-F74 HydrophobicContact CE2-CE1 3.85Å; F65-F74 AromaticContact CZ-CD1 3.69Å; F65-F74 HydrophobicContact CZ-CD1 3.69Å; F65-F74 AromaticContact CZ-CE1 3.56Å; F65-F74 HydrophobicContact CZ-CE1 3.56Å; L71-F74 HydrophobicContact CB-CB 4.08Å; L71-F74 HydrophobicContact CD1-CB 3.86Å; L71-F74 HydrophobicContact CD1-CD2 3.51Å; L71-F74 HydrophobicContact CD1-CE2 4.16Å; L71-F74 HydrophobicContact CD1-CG 3.73Å; F74-F94 HydrophobicContact CB-CB 4.32Å; F74-F94 HydrophobicContact CB-CD1 4.44Å; F74-F94 HydrophobicContact CD1-CB 3.71Å; F74-F94 HydrophobicContact CD1-CD1 4.1Å; F74-F94 HydrophobicContact CD1-CG 4.03Å; F74-F94 HydrophobicContact CG-CB 4.42Å; F74-F94 WeakPolarHBondContact O-CA 3.46Å; F74-F94 WeakPolarHBondContact O-CB 3.19Å; F74-F94 PolarHBondContact O-N 3.18Å; F74-G95 VanDerWaalsContact CB-O 3.3Å; F74-G95 WeakPolarHBondContact CB-O 3.4Å; F74-G95 PolarHBondContact N-O 3.24Å; F74-G95 PolarHBondContact O-N 3.18Å; F74-V97 HydrophobicContact CB-CG2 3.72Å; F74-V97 HydrophobicContact CD1-CG2 4.08Å; F74-V97 HydrophobicContact CG-CG2 4.14Å; F74-W105 HydrophobicContact CE1-CE3 4.26Å; F74-W105 HydrophobicContact CE1-CZ3 4.06Å; F74-F133 HydrophobicContact CE2-CB 4.12Å; F74-F133 AromaticContact CE2-CD1 3.73Å; F74-F133 HydrophobicContact CE2-CD1 3.73Å; F74-F133 HydrophobicContact CE2-CG 4.38Å; F74-F133 AromaticContact CZ-CD1 3.59Å; F74-F133 HydrophobicContact CZ-CD1 3.59Å; F74-F133 HydrophobicContact CZ-CE1 4.14Å; F74-Y134 VanDerWaalsContact CA-O 3.32Å; F74-Y134 WeakPolarHBondContact CA-O 3.26Å; F74-Y134 WeakPolarHBondContact CD2-O 3.28Å
75R86.5Confident86.2Confident51 Ų5146.4 Ų46.419%0.19224%0.235CC..EExtended strand (participates in β ladder)trans-147.8162.3-179.865.1-177.5-178.487.5-2.8111.1K73 E77 F92 E93 Y134K73-R75 PolarHBondContact O-N 2.98Å; R75-E77 IonicContact CZ-OE1 3.72Å; R75-E77 IonicContact NH1-OE1 2.7Å; R75-E77 PolarHBondContact NH1-OE1 3.48Å; R75-E77 IonicContact NH2-OE1 3.45Å; R75-F92 CarbonylContact C-O 3.51Å; R75-F92 VanDerWaalsContact CA-O 3.26Å; R75-F92 WeakPolarHBondContact CA-O 3.36Å; R75-F92 VanDerWaalsContact CB-O 3.3Å; R75-F92 WeakPolarHBondContact CB-O 3.45Å; R75-E93 HydrophobicContact CB-CG 4.48Å; R75-Y134 HydrophobicContact CG-CD2 4.25Å; R75-Y134 HydrophobicContact CG-CG 4.35Å; R75-Y134 PolarHBondContact N-O 2.71Å; R75-Y134 PolarHBondContact O-N 2.9Å
76L84Confident85.6Confident3 Ų348.9 Ų48.92%0.01625%0.252CS..EExtended strand (participates in β ladder)trans-130.2131.3-177.7-173.2153.6000109.6L63 Q78 F92 W105 T131 K132 F133L63-L76 HydrophobicContact CD1-CD1 4.36Å; L76-Q78 HydrophobicContact CD2-CB 3.93Å; L76-Q78 HydrophobicContact CD2-CG 3.5Å; L76-F92 HydrophobicContact CB-CB 4.46Å; L76-F92 HydrophobicContact CD2-CD2 3.67Å; L76-F92 HydrophobicContact CD2-CE2 4.19Å; L76-F92 PolarHBondContact N-O 3.44Å; L76-F92 PolarHBondContact O-N 2.68Å; L76-W105 HydrophobicContact CB-CH2 3.74Å; L76-W105 HydrophobicContact CB-CZ3 3.92Å; L76-W105 HydrophobicContact CD1-CZ3 4.38Å; L76-T131 HydrophobicContact CD1-CG2 3.57Å; L76-T131 HydrophobicContact CD2-CG2 3.99Å; L76-T131 HydrophobicContact CG-CG2 3.7Å; L76-K132 VanDerWaalsContact CA-O 3.31Å; L76-K132 WeakPolarHBondContact CA-O 3.36Å; L76-F133 HydrophobicContact CD1-CD1 4.16Å; L76-F133 HydrophobicContact CD1-CE1 3.66Å; L76-F133 HydrophobicContact CD1-CZ 4.22Å
77E84.1Confident84.8Confident38 Ų3851.6 Ų51.618%0.17826%0.264CS..EExtended strand (participates in β ladder)trans-111.4136166.2-60.8176.2178.100109R75 W90 F91 T131 K132 Y134R75-E77 IonicContact CZ-OE1 3.72Å; R75-E77 IonicContact NH1-OE1 2.7Å; R75-E77 PolarHBondContact NH1-OE1 3.48Å; R75-E77 IonicContact NH2-OE1 3.45Å; E77-W90 CarbonylContact C-O 3.5Å; E77-W90 WeakPolarHBondContact CA-O 3.28Å; E77-F91 HydrophobicContact CG-CD1 3.69Å; E77-F91 HydrophobicContact CG-CE1 3.82Å; E77-T131 WeakPolarHBondContact O-CA 3.23Å; E77-K132 PolarHBondContact N-O 3.21Å; E77-K132 PolarHBondContact O-N 3.44Å; E77-Y134 HydrophobicContact CB-CE2 3.85Å; E77-Y134 HydrophobicContact CG-CD2 4.16Å; E77-Y134 HydrophobicContact CG-CE2 3.5Å; E77-Y134 VanDerWaalsContact CG-CE2 3.5Å; E77-Y134 WeakPolarHBondContact OE2-CE2 3.48Å; E77-Y134 VanDerWaalsContact OE2-CZ 3.3Å; E77-Y134 PolarHBondContact OE2-OH 2.95Å
78Q82.1Confident84.1Confident17 Ų1754.4 Ų54.48%0.07928%0.277CS..EExtended strand (participates in β ladder)trans-129.5134.6-179.7-105.3166.2-9.100111L76 E89 W90 I129 E130 T131L76-Q78 HydrophobicContact CD2-CB 3.93Å; L76-Q78 HydrophobicContact CD2-CG 3.5Å; Q78-E89 CarbonylContact O-C 3.48Å; Q78-E89 VanDerWaalsContact O-CA 3.31Å; Q78-E89 WeakPolarHBondContact O-CA 3.32Å; Q78-W90 HydrophobicContact CB-CB 4.18Å; Q78-W90 HydrophobicContact CB-CE3 3.94Å; Q78-W90 PolarHBondContact N-O 2.65Å; Q78-W90 PolarHBondContact O-N 2.7Å; Q78-I129 HydrophobicContact CG-CG2 3.8Å; Q78-E130 CarbonylContact C-O 3.49Å; Q78-E130 WeakPolarHBondContact CA-O 3.47Å; Q78-E130 WeakPolarHBondContact CG-O 3.39Å; Q78-T131 HydrophobicContact CG-CG2 4.08Å; Q78-T131 VanDerWaalsContact CG-OG1 3.28Å; Q78-T131 WeakPolarHBondContact CG-OG1 3.42Å; Q78-T131 PolarHBondContact NE2-OG1 2.82Å
79K81.4Confident83.5Confident54 Ų5456 Ų5624%0.23528%0.28CS..EExtended strand (participates in β ladder)trans-120.4127.4173.7-59.5-162.4-179.7-1540109.6F81 E88 E89 I129 E130K79-F81 HydrophobicContact CB-CD2 4.14Å; K79-F81 HydrophobicContact CB-CE2 3.48Å; K79-F81 VanDerWaalsContact CB-CE2 3.48Å; K79-F81 HydrophobicContact CB-CZ 3.96Å; K79-F81 HydrophobicContact CD-CE2 4.43Å; K79-F81 HydrophobicContact CD-CZ 4.15Å; K79-E88 WeakPolarHBondContact CA-O 3.35Å; K79-E89 HydrophobicContact CD-CG 4.18Å; K79-E89 VanDerWaalsContact CE-CD 3.48Å; K79-E89 VanDerWaalsContact CE-OE1 3.29Å; K79-E89 WeakPolarHBondContact CE-OE1 3.37Å; K79-E89 HydrophobicContact CG-CG 4.04Å; K79-E89 VanDerWaalsContact NZ-CD 3.3Å; K79-E89 IonicContact NZ-OE1 3.75Å; K79-E89 PolarHBondContact NZ-OE1 2.84Å; K79-E89 IonicContact NZ-OE2 3.74Å; K79-E89 PolarHBondContact NZ-OE2 3.27Å; K79-I129 WeakPolarHBondContact O-CA 3.26Å; K79-E130 HydrophobicContact CB-CB 4.39Å; K79-E130 PolarHBondContact N-O 3.3Å; K79-E130 PolarHBondContact O-N 3.06Å
80V78.8Confident83.1Confident17 Ų1756 Ų5610%0.10328%0.278CS..EExtended strand (participates in β ladder)trans-96.8113.6176.6-174.10000108L87 E88 W90 V127 I129V80-L87 PolarHBondContact O-N 3.21Å; V80-E88 HydrophobicContact CB-CB 4.29Å; V80-E88 HydrophobicContact CG2-CB 4.32Å; V80-E88 PolarHBondContact N-O 2.65Å; V80-W90 HydrophobicContact CG2-CD2 4.36Å; V80-W90 HydrophobicContact CG2-CE3 4.19Å; V80-W90 HydrophobicContact CG2-CH2 3.43Å; V80-W90 VanDerWaalsContact CG2-CH2 3.43Å; V80-W90 HydrophobicContact CG2-CZ2 3.62Å; V80-W90 HydrophobicContact CG2-CZ3 3.73Å; V80-V127 HydrophobicContact CG1-CG1 3.97Å; V80-I129 HydrophobicContact CG2-CG1 4.45Å
81F78.9Confident82.8Confident31 Ų3158.7 Ų58.714%0.13629%0.289CS..EExtended strand (participates in β ladder)trans-102.6139.4176.9-66.4-88.4000110.8K79 Q85 C86 V127 I128 E130K79-F81 HydrophobicContact CB-CD2 4.14Å; K79-F81 HydrophobicContact CB-CE2 3.48Å; K79-F81 VanDerWaalsContact CB-CE2 3.48Å; K79-F81 HydrophobicContact CB-CZ 3.96Å; K79-F81 HydrophobicContact CD-CE2 4.43Å; K79-F81 HydrophobicContact CD-CZ 4.15Å; F81-Q85 CarbonylContact C-O 3.54Å; F81-Q85 VanDerWaalsContact CA-O 3.27Å; F81-Q85 WeakPolarHBondContact CA-O 3.45Å; F81-C86 HydrophobicContact CD1-CB 3.97Å; F81-C86 HydrophobicContact CE1-CB 3.68Å; F81-C86 HydrophobicContact CZ-CB 4.35Å; F81-V127 CarbonylContact O-C 3.48Å; F81-V127 VanDerWaalsContact O-CA 3.31Å; F81-V127 WeakPolarHBondContact O-CA 3.48Å; F81-I128 HydrophobicContact CB-CB 4.25Å; F81-I128 PolarHBondContact N-O 2.82Å; F81-I128 PolarHBondContact O-N 2.86Å; F81-E130 HydrophobicContact CD2-CB 4.31Å; F81-E130 HydrophobicContact CE2-CB 3.85Å
82F79.8Confident82.7Confident20 Ų2060 Ų609%0.08829%0.294CS..EExtended strand (participates in β ladder)trans-123.3117.5166174.6-103.6000109G84 Q85 L87 M118 V122 L123 N126 V127F82-G84 PolarHBondContact O-N 2.83Å; F82-G84 VanDerWaalsContact O-N 3.13Å; F82-Q85 PolarHBondContact N-O 2.75Å; F82-Q85 PolarHBondContact O-N 2.91Å; F82-L87 HydrophobicContact CB-CD1 3.48Å; F82-L87 VanDerWaalsContact CB-CD1 3.48Å; F82-L87 HydrophobicContact CB-CD2 4.31Å; F82-L87 HydrophobicContact CB-CG 3.87Å; F82-L87 HydrophobicContact CG-CD1 4.37Å; F82-M118 HydrophobicContact CB-CE 4.15Å; F82-M118 HydrophobicContact CD1-CE 3.7Å; F82-M118 HydrophobicContact CD1-SD 3.9Å; F82-M118 HydrophobicContact CD2-CE 4.09Å; F82-M118 HydrophobicContact CE1-CE 4.07Å; F82-M118 HydrophobicContact CE1-SD 3.63Å; F82-M118 HydrophobicContact CE2-CE 4.43Å; F82-M118 HydrophobicContact CE2-SD 4.32Å; F82-M118 HydrophobicContact CG-CE 3.7Å; F82-M118 HydrophobicContact CG-SD 4.34Å; F82-M118 HydrophobicContact CZ-CE 4.43Å; F82-M118 HydrophobicContact CZ-SD 3.87Å; F82-V122 HydrophobicContact CE2-CG1 3.98Å; F82-V122 WeakPolarHBondContact CE2-O 3.29Å; F82-V122 HydrophobicContact CZ-CG1 3.53Å; F82-L123 HydrophobicContact CD2-CD2 3.98Å; F82-L123 HydrophobicContact CE2-CD2 4.25Å; F82-N126 WeakPolarHBondContact CA-O 3.29Å; F82-N126 HydrophobicContact CD2-CB 3.87Å; F82-N126 HydrophobicContact CE2-CB 3.59Å; F82-V127 HydrophobicContact CD2-CG2 4.38Å
83K80.9Confident82.9Confident130 Ų13060.6 Ų60.657%0.56530%0.297SS*.THydrogen-bonded Turntrans49.339.8-177.3-60.3-173.1174.7-173.60113.2Q85 N126K83-Q85 VanDerWaalsContact C-N 3.29Å; K83-Q85 PolarHBondContact O-N 2.92Å; K83-N126 HydrophobicContact CG-CB 4.19Å; K83-N126 PolarHBondContact N-O 2.79Å
84G78.1Confident83.1Confident62 Ų6259.2 Ų59.264%0.63929%0.291SS*.THydrogen-bonded Turntrans81.2-4.2-179.800000115.5F82F82-G84 PolarHBondContact O-N 2.83Å; F82-G84 VanDerWaalsContact O-N 3.13Å
85Q78.4Confident83.2Confident138 Ų13859.5 Ų59.565%0.64530%0.296SS*.EExtended strand (participates in β ladder)trans-91.9126.1173.1-63-172-44.900110.1F81 F82 K83 L87F81-Q85 CarbonylContact C-O 3.54Å; F81-Q85 VanDerWaalsContact CA-O 3.27Å; F81-Q85 WeakPolarHBondContact CA-O 3.45Å; F82-Q85 PolarHBondContact N-O 2.75Å; F82-Q85 PolarHBondContact O-N 2.91Å; K83-Q85 VanDerWaalsContact C-N 3.29Å; K83-Q85 PolarHBondContact O-N 2.92Å; Q85-L87 PolarHBondContact O-N 3.05Å
86C81.2Confident83.5Confident55 Ų5561.9 Ų61.937%0.37231%0.308SS..EExtended strand (participates in β ladder)trans-71.1116.8173.4-168.10000109.1F81F81-C86 HydrophobicContact CD1-CB 3.97Å; F81-C86 HydrophobicContact CE1-CB 3.68Å; F81-C86 HydrophobicContact CZ-CB 4.35Å
87L80.3Confident83.9Confident85 Ų8561.8 Ų61.845%0.44531%0.307SS..EExtended strand (participates in β ladder)trans-91.7-44.1178.6-60.2-175000111.5V80 F82 Q85 M118V80-L87 PolarHBondContact O-N 3.21Å; F82-L87 HydrophobicContact CB-CD1 3.48Å; F82-L87 VanDerWaalsContact CB-CD1 3.48Å; F82-L87 HydrophobicContact CB-CD2 4.31Å; F82-L87 HydrophobicContact CB-CG 3.87Å; F82-L87 HydrophobicContact CG-CD1 4.37Å; Q85-L87 PolarHBondContact O-N 3.05Å; L87-M118 HydrophobicContact CD1-CE 3.51Å
88E77.8Confident84.5Confident60 Ų6064.7 Ų64.728%0.2832%0.323SS..EExtended strand (participates in β ladder)trans-140.7148-175.5-64.2-170.4-163.400111.1K79 V80 W90K79-E88 WeakPolarHBondContact CA-O 3.35Å; V80-E88 HydrophobicContact CB-CB 4.29Å; V80-E88 HydrophobicContact CG2-CB 4.32Å; V80-E88 PolarHBondContact N-O 2.65Å; E88-W90 VanDerWaalsContact OE2-CE2 3.28Å; E88-W90 VanDerWaalsContact OE2-CZ2 3.31Å; E88-W90 WeakPolarHBondContact OE2-CZ2 3.35Å; E88-W90 PolarHBondContact OE2-NE1 2.83Å
89E82.6Confident85.2Confident92 Ų9266.5 Ų66.543%0.4334%0.336SS..EExtended strand (participates in β ladder)trans-124.5129.4170.7-57-165.3176.800109Q78 K79 F91Q78-E89 CarbonylContact O-C 3.48Å; Q78-E89 VanDerWaalsContact O-CA 3.31Å; Q78-E89 WeakPolarHBondContact O-CA 3.32Å; K79-E89 HydrophobicContact CD-CG 4.18Å; K79-E89 VanDerWaalsContact CE-CD 3.48Å; K79-E89 VanDerWaalsContact CE-OE1 3.29Å; K79-E89 WeakPolarHBondContact CE-OE1 3.37Å; K79-E89 HydrophobicContact CG-CG 4.04Å; K79-E89 VanDerWaalsContact NZ-CD 3.3Å; K79-E89 IonicContact NZ-OE1 3.75Å; K79-E89 PolarHBondContact NZ-OE1 2.84Å; K79-E89 IonicContact NZ-OE2 3.74Å; K79-E89 PolarHBondContact NZ-OE2 3.27Å; E89-F91 HydrophobicContact CB-CE2 3.94Å; E89-F91 HydrophobicContact CB-CZ 4.38Å
90W82.6Confident85.9Confident51 Ų5170.1 Ų70.119%0.19336%0.358CS..EExtended strand (participates in β ladder)trans-121.1139.4-178.6-55-32.7000110.5E77 Q78 V80 E88 F92 I109E77-W90 CarbonylContact C-O 3.5Å; E77-W90 WeakPolarHBondContact CA-O 3.28Å; Q78-W90 HydrophobicContact CB-CB 4.18Å; Q78-W90 HydrophobicContact CB-CE3 3.94Å; Q78-W90 PolarHBondContact N-O 2.65Å; Q78-W90 PolarHBondContact O-N 2.7Å; V80-W90 HydrophobicContact CG2-CD2 4.36Å; V80-W90 HydrophobicContact CG2-CE3 4.19Å; V80-W90 HydrophobicContact CG2-CH2 3.43Å; V80-W90 VanDerWaalsContact CG2-CH2 3.43Å; V80-W90 HydrophobicContact CG2-CZ2 3.62Å; V80-W90 HydrophobicContact CG2-CZ3 3.73Å; E88-W90 VanDerWaalsContact OE2-CE2 3.28Å; E88-W90 VanDerWaalsContact OE2-CZ2 3.31Å; E88-W90 WeakPolarHBondContact OE2-CZ2 3.35Å; E88-W90 PolarHBondContact OE2-NE1 2.83Å; W90-F92 HydrophobicContact CB-CD2 4.27Å; W90-F92 HydrophobicContact CB-CE2 3.36Å; W90-F92 HydrophobicContact CB-CZ 3.59Å; W90-F92 HydrophobicContact CD2-CZ 4.4Å; W90-F92 HydrophobicContact CE3-CE2 4.32Å; W90-F92 HydrophobicContact CE3-CZ 4.37Å; W90-F92 HydrophobicContact CG-CE2 4.25Å; W90-F92 HydrophobicContact CG-CZ 4.14Å; W90-I109 HydrophobicContact CD2-CG2 4.3Å; W90-I109 HydrophobicContact CE3-CD1 4.44Å; W90-I109 HydrophobicContact CE3-CG2 4.49Å; W90-I109 HydrophobicContact CH2-CG2 3.84Å; W90-I109 HydrophobicContact CZ2-CG2 3.6Å; W90-I109 HydrophobicContact CZ3-CD1 4.14Å; W90-I109 HydrophobicContact CZ3-CG2 4.28Å
91F86.8Confident86.8Confident129 Ų12970.1 Ų70.157%0.56636%0.359SS*.EExtended strand (participates in β ladder)trans-125.4123.1-178.9-60.5-94.9000108.5E77 E89E77-F91 HydrophobicContact CG-CD1 3.69Å; E77-F91 HydrophobicContact CG-CE1 3.82Å; E89-F91 HydrophobicContact CB-CE2 3.94Å; E89-F91 HydrophobicContact CB-CZ 4.38Å
92F86.2Confident87.7Confident29 Ų2972.8 Ų72.813%0.12738%0.378CS..EExtended strand (participates in β ladder)trans-129.1132.4179.7-50.8-84.7000109.7R61 R75 L76 W90 W105 I109R61-F92 VanDerWaalsContact NH2-CD2 3.28Å; R61-F92 VanDerWaalsContact NH2-CE2 3.34Å; R75-F92 CarbonylContact C-O 3.51Å; R75-F92 VanDerWaalsContact CA-O 3.26Å; R75-F92 WeakPolarHBondContact CA-O 3.36Å; R75-F92 VanDerWaalsContact CB-O 3.3Å; R75-F92 WeakPolarHBondContact CB-O 3.45Å; L76-F92 HydrophobicContact CB-CB 4.46Å; L76-F92 HydrophobicContact CD2-CD2 3.67Å; L76-F92 HydrophobicContact CD2-CE2 4.19Å; L76-F92 PolarHBondContact N-O 3.44Å; L76-F92 PolarHBondContact O-N 2.68Å; W90-F92 HydrophobicContact CB-CD2 4.27Å; W90-F92 HydrophobicContact CB-CE2 3.36Å; W90-F92 HydrophobicContact CB-CZ 3.59Å; W90-F92 HydrophobicContact CD2-CZ 4.4Å; W90-F92 HydrophobicContact CE3-CE2 4.32Å; W90-F92 HydrophobicContact CE3-CZ 4.37Å; W90-F92 HydrophobicContact CG-CE2 4.25Å; W90-F92 HydrophobicContact CG-CZ 4.14Å; F92-W105 HydrophobicContact CB-CH2 3.54Å; F92-W105 HydrophobicContact CB-CZ2 3.34Å; F92-I109 HydrophobicContact CE1-CG1 4.31Å; F92-I109 HydrophobicContact CZ-CG1 3.95Å
93E93Very high88.5Confident117 Ų11773.4 Ų73.455%0.54738%0.382SS..EExtended strand (participates in β ladder)trans-112.5129.2176-170.7172.7138.300109.9K73 R75 W105K73-E93 WeakPolarHBondContact CE-OE1 3.36Å; K73-E93 WeakPolarHBondContact CE-OE2 3.24Å; K73-E93 IonicContact NZ-OE1 3.9Å; K73-E93 IonicContact NZ-OE2 3.36Å; K73-E93 PolarHBondContact NZ-OE2 3.47Å; R75-E93 HydrophobicContact CB-CG 4.48Å; E93-W105 VanDerWaalsContact C-CZ2 3.43Å
94F91.6Very high89.2Confident58 Ų5871 Ų7125%0.25438%0.378SS..EExtended strand (participates in β ladder)trans-96.8-43.9170.8-177.9-94.8000110.6F65 F74 V97 N103 W105F65-F94 HydrophobicContact CE1-CD2 4.26Å; F65-F94 HydrophobicContact CE1-CE2 4.18Å; F65-F94 HydrophobicContact CE1-CZ 4.42Å; F65-F94 HydrophobicContact CZ-CD1 4.09Å; F65-F94 HydrophobicContact CZ-CD2 4.35Å; F65-F94 HydrophobicContact CZ-CE1 4Å; F65-F94 HydrophobicContact CZ-CE2 4.24Å; F65-F94 HydrophobicContact CZ-CG 4.27Å; F65-F94 HydrophobicContact CZ-CZ 4.07Å; F74-F94 HydrophobicContact CB-CB 4.32Å; F74-F94 HydrophobicContact CB-CD1 4.44Å; F74-F94 HydrophobicContact CD1-CB 3.71Å; F74-F94 HydrophobicContact CD1-CD1 4.1Å; F74-F94 HydrophobicContact CD1-CG 4.03Å; F74-F94 HydrophobicContact CG-CB 4.42Å; F74-F94 WeakPolarHBondContact O-CA 3.46Å; F74-F94 WeakPolarHBondContact O-CB 3.19Å; F74-F94 PolarHBondContact O-N 3.18Å; F94-V97 HydrophobicContact CD1-CG2 3.61Å; F94-V97 HydrophobicContact CE1-CG2 3.67Å; F94-N103 HydrophobicContact CE1-CB 4.48Å; F94-N103 HydrophobicContact CE2-CB 4.24Å; F94-N103 HydrophobicContact CZ-CB 3.7Å; F94-W105 HydrophobicContact CB-CD2 4.02Å; F94-W105 HydrophobicContact CB-CE3 4.18Å; F94-W105 HydrophobicContact CB-CH2 4.16Å; F94-W105 HydrophobicContact CB-CZ2 3.98Å; F94-W105 HydrophobicContact CB-CZ3 4.27Å; F94-W105 HydrophobicContact CD2-CB 3.64Å; F94-W105 AromaticContact CD2-CD1 3.72Å; F94-W105 AromaticContact CD2-CD2 3.81Å; F94-W105 HydrophobicContact CD2-CD2 3.81Å; F94-W105 HydrophobicContact CD2-CE3 4.39Å; F94-W105 AromaticContact CD2-CG 3.47Å; F94-W105 HydrophobicContact CD2-CG 3.47Å; F94-W105 VanDerWaalsContact CD2-CG 3.47Å; F94-W105 HydrophobicContact CE2-CB 3.84Å; F94-W105 HydrophobicContact CE2-CG 4.15Å; F94-W105 HydrophobicContact CG-CD2 4.36Å; F94-W105 HydrophobicContact CG-CG 4.45Å
95G91.8Very high90Very high12 Ų1269 Ų6912%0.12435%0.352CS..EExtended strand (participates in β ladder)trans95.7-141.8-177.500000112.4F74F74-G95 VanDerWaalsContact CB-O 3.3Å; F74-G95 WeakPolarHBondContact CB-O 3.4Å; F74-G95 PolarHBondContact N-O 3.24Å; F74-G95 PolarHBondContact O-N 3.18Å
96F93.5Very high90.6Very high102 Ų10268.2 Ų68.245%0.44735%0.348SS..EExtended strand (participates in β ladder)trans-68.8134.5-172.7-175.4-96.6000112.7Q70 L71 I98Q70-F96 HydrophobicContact CG-CE2 3.72Å; Q70-F96 HydrophobicContact CG-CZ 3.78Å; L71-F96 CarbonylContact O-C 3.52Å; L71-F96 WeakPolarHBondContact O-CA 3.44Å; L71-F96 WeakPolarHBondContact O-CD2 3.36Å; F96-I98 HydrophobicContact CD1-CG1 4.27Å; F96-I98 HydrophobicContact CE1-CG1 3.84Å
97V92.6Very high91Very high0 Ų066.1 Ų66.10%033%0.334CS..EExtended strand (participates in β ladder)trans-118.7121.6175.3179.80000109.5F65 Q70 L71 F74 F94F65-V97 HydrophobicContact CE2-CG1 4.15Å; F65-V97 HydrophobicContact CE2-CG2 4.05Å; F65-V97 HydrophobicContact CZ-CG2 4.11Å; Q70-V97 WeakPolarHBondContact CA-O 3.35Å; L71-V97 HydrophobicContact CB-CB 3.83Å; L71-V97 HydrophobicContact CB-CG2 4.08Å; L71-V97 HydrophobicContact CD1-CB 4.15Å; L71-V97 HydrophobicContact CD1-CG2 3.99Å; L71-V97 HydrophobicContact CG-CB 4.03Å; L71-V97 HydrophobicContact CG-CG2 4.34Å; L71-V97 PolarHBondContact N-O 2.9Å; L71-V97 VanDerWaalsContact N-O 3.11Å; L71-V97 PolarHBondContact O-N 2.92Å; F74-V97 HydrophobicContact CB-CG2 3.72Å; F74-V97 HydrophobicContact CD1-CG2 4.08Å; F74-V97 HydrophobicContact CG-CG2 4.14Å; F94-V97 HydrophobicContact CD1-CG2 3.61Å; F94-V97 HydrophobicContact CE1-CG2 3.67Å
98I95.5Very high91.2Very high100 Ų10066.5 Ų66.551%0.51334%0.336SS..  trans-66.6137.7176.2-62.5168.1000109.1F96 S101F96-I98 HydrophobicContact CD1-CG1 4.27Å; F96-I98 HydrophobicContact CE1-CG1 3.84Å; I98-S101 WeakPolarHBondContact O-CB 3.5Å; I98-S101 PolarHBondContact O-N 3.1Å; I98-S101 PolarHBondContact O-OG 3.03Å
99P96.6Very high91.6Very high55 Ų5564.7 Ų64.736%0.35733%0.328SS..THydrogen-bonded Turntrans-62.1142.7175.326.1-34.2000111.4T68 Q70 S101T68-P99 WeakPolarHBondContact O-CA 3.31Å; T68-P99 WeakPolarHBondContact O-CB 3.28Å; Q70-P99 HydrophobicContact CB-CB 4.22Å; Q70-P99 HydrophobicContact CB-CG 4.3Å; P99-S101 PolarHBondContact O-N 3.41Å
100N97.1Very high91.4Very high130 Ų13067.3 Ų67.370%0.69534%0.34SS*.THydrogen-bonded Turntrans55.634.8-175.7-55.2-72.7000114S67 T68S67-N100 CarbonylContact O-C 3.57Å; S67-N100 WeakPolarHBondContact O-CA 3.33Å; S67-N100 PolarHBondContact O-N 2.99Å; T68-N100 PolarHBondContact O-N 3.07Å
101S97.1Very high90.9Very high17 Ų1766.8 Ų66.812%0.11935%0.347CS..EExtended strand (participates in β ladder)trans-102.9160178.568.90000112.5S66 S67 I98 P99 N103S66-S101 VanDerWaalsContact CA-O 3.22Å; S66-S101 WeakPolarHBondContact CA-O 3.33Å; S67-S101 PolarHBondContact N-O 2.97Å; S67-S101 PolarHBondContact O-N 3.15Å; I98-S101 WeakPolarHBondContact O-CB 3.5Å; I98-S101 PolarHBondContact O-N 3.1Å; I98-S101 PolarHBondContact O-OG 3.03Å; P99-S101 PolarHBondContact O-N 3.41Å; S101-N103 PolarHBondContact OG-ND2 2.56Å
102T98.3Very high89.9Confident87 Ų8762 Ų6253%0.53433%0.33SS..EExtended strand (participates in β ladder)trans-121.1126.2168.1-62.80000107.9N64 F65 S66N64-T102 WeakPolarHBondContact OD1-CG2 3.17Å; F65-T102 CarbonylContact O-C 3.52Å; F65-T102 WeakPolarHBondContact O-CA 3.15Å; S66-T102 PolarHBondContact OG-OG1 3.11Å
103N96.3Very high88.7Confident33 Ų3364.1 Ų64.118%0.17635%0.347CS..EExtended strand (participates in β ladder)trans-125.2149.3-172.3-58.9-79.1000110.4N64 F65 F94 S101N64-N103 VanDerWaalsContact CA-O 3.24Å; N64-N103 WeakPolarHBondContact CA-O 3.09Å; N64-N103 PolarHBondContact ND2-O 2.75Å; F65-N103 HydrophobicContact CD1-CB 4.43Å; F65-N103 HydrophobicContact CE1-CB 3.86Å; F65-N103 HydrophobicContact CE2-CB 4.22Å; F65-N103 HydrophobicContact CZ-CB 3.74Å; F65-N103 PolarHBondContact N-O 2.9Å; F65-N103 PolarHBondContact O-N 2.88Å; F94-N103 HydrophobicContact CE1-CB 4.48Å; F94-N103 HydrophobicContact CE2-CB 4.24Å; F94-N103 HydrophobicContact CZ-CB 3.7Å; S101-N103 PolarHBondContact OG-ND2 2.56Å
104T96.3Very high87Confident79 Ų7965.5 Ų65.549%0.48535%0.354SS..EExtended strand (participates in β ladder)trans-111.4125167.3-60.10000108.4W19 L63 N64W19-T104 HydrophobicContact CH2-CG2 3.93Å; L63-T104 CarbonylContact O-C 3.6Å; L63-T104 VanDerWaalsContact O-CA 3.31Å; L63-T104 WeakPolarHBondContact O-CA 3.37Å; N64-T104 PolarHBondContact ND2-OG1 3.38Å
105W94.9Very high85.3Confident20 Ų2068.2 Ų68.28%0.07638%0.38CS..EExtended strand (participates in β ladder)trans-117.7116.9-178.6179.821.8000110.3E62 L63 F65 F74 L76 F92 E93 F94E62-W105 CarbonylContact C-O 3.59Å; E62-W105 WeakPolarHBondContact CA-O 3.39Å; L63-W105 HydrophobicContact CB-CB 4.46Å; L63-W105 HydrophobicContact CD1-CE3 3.87Å; L63-W105 HydrophobicContact CD1-CZ3 4.32Å; L63-W105 PolarHBondContact N-O 3.18Å; L63-W105 PolarHBondContact O-N 2.84Å; F65-W105 HydrophobicContact CE1-CB 4.16Å; F74-W105 HydrophobicContact CE1-CE3 4.26Å; F74-W105 HydrophobicContact CE1-CZ3 4.06Å; L76-W105 HydrophobicContact CB-CH2 3.74Å; L76-W105 HydrophobicContact CB-CZ3 3.92Å; L76-W105 HydrophobicContact CD1-CZ3 4.38Å; F92-W105 HydrophobicContact CB-CH2 3.54Å; F92-W105 HydrophobicContact CB-CZ2 3.34Å; E93-W105 VanDerWaalsContact C-CZ2 3.43Å; F94-W105 HydrophobicContact CB-CD2 4.02Å; F94-W105 HydrophobicContact CB-CE3 4.18Å; F94-W105 HydrophobicContact CB-CH2 4.16Å; F94-W105 HydrophobicContact CB-CZ2 3.98Å; F94-W105 HydrophobicContact CB-CZ3 4.27Å; F94-W105 HydrophobicContact CD2-CB 3.64Å; F94-W105 AromaticContact CD2-CD1 3.72Å; F94-W105 AromaticContact CD2-CD2 3.81Å; F94-W105 HydrophobicContact CD2-CD2 3.81Å; F94-W105 HydrophobicContact CD2-CE3 4.39Å; F94-W105 AromaticContact CD2-CG 3.47Å; F94-W105 HydrophobicContact CD2-CG 3.47Å; F94-W105 VanDerWaalsContact CD2-CG 3.47Å; F94-W105 HydrophobicContact CE2-CB 3.84Å; F94-W105 HydrophobicContact CE2-CG 4.15Å; F94-W105 HydrophobicContact CG-CD2 4.36Å; F94-W105 HydrophobicContact CG-CG 4.45Å
106Q91.4Very high84Confident122 Ų12274.3 Ų74.357%0.5741%0.405SS*.EExtended strand (participates in β ladder)trans-95.9133.9174-166.8175-13.600110.5S60 R61 E62S60-Q106 PolarHBondContact OG-NE2 2.9Å; R61-Q106 CarbonylContact O-C 3.58Å; R61-Q106 VanDerWaalsContact O-CA 3.27Å; R61-Q106 WeakPolarHBondContact O-CA 3.5Å; E62-Q106 HydrophobicContact CG-CB 4.22Å; E62-Q106 HydrophobicContact CG-CG 3.98Å
107S88.2Confident82.7Confident10 Ų1072.1 Ų72.17%0.0740%0.397CS..EExtended strand (participates in β ladder)trans-131.3149.1175.1-45.40000109.9R61R61-S107 PolarHBondContact N-O 3.02Å; R61-S107 PolarHBondContact NH2-OG 3.24Å; R61-S107 PolarHBondContact O-N 3.14Å
108L85.3Confident81.7Confident94 Ų9474.8 Ų74.849%0.49241%0.41SS..EExtended strand (participates in β ladder)trans-104.5131.6172.1-170.268.6000109.2A25 A58A25-L108 HydrophobicContact CB-CD1 3.6Å; A58-L108 HydrophobicContact CB-CD1 3.89Å; A58-L108 HydrophobicContact CB-CG 4.29Å
109I85.6Confident80.7Confident22 Ų2273.9 Ų73.911%0.11341%0.411CS..EExtended strand (participates in β ladder)trans-114.3111.8175.1-56.5171.3000106.9A58 V59 R61 W90 F92A58-I109 CarbonylContact C-O 3.53Å; A58-I109 WeakPolarHBondContact CA-O 3.22Å; A58-I109 WeakPolarHBondContact CB-O 3.43Å; V59-I109 PolarHBondContact N-O 3.36Å; V59-I109 PolarHBondContact O-N 3.5Å; R61-I109 HydrophobicContact CB-CD1 4.35Å; W90-I109 HydrophobicContact CD2-CG2 4.3Å; W90-I109 HydrophobicContact CE3-CD1 4.44Å; W90-I109 HydrophobicContact CE3-CG2 4.49Å; W90-I109 HydrophobicContact CH2-CG2 3.84Å; W90-I109 HydrophobicContact CZ2-CG2 3.6Å; W90-I109 HydrophobicContact CZ3-CD1 4.14Å; W90-I109 HydrophobicContact CZ3-CG2 4.28Å; F92-I109 HydrophobicContact CE1-CG1 4.31Å; F92-I109 HydrophobicContact CZ-CG1 3.95Å
110E78.6Confident79.5Confident147 Ų14772 Ų7269%0.68740%0.4SS*.EExtended strand (participates in β ladder)trans-81.4134.3176.1-62.7-172.4158.600109.5
111A71.6Confident78.2Confident40 Ų4071.2 Ų71.233%0.33140%0.396SS..PPolyproline II helixtrans-82.6145.3176.900000110.4C56 K57C56-A111 VanDerWaalsContact O-CB 3.24Å; C56-A111 WeakPolarHBondContact O-CB 3.31Å; K57-A111 WeakPolarHBondContact O-CB 3.08Å; K57-A111 PolarHBondContact O-N 3.43Å
112A65.7Low77.2Confident27 Ų2772.9 Ų72.922%0.22341%0.405CS..PPolyproline II helixtrans-57.1153.3162.400000110.5E114 M117A112-E114 PolarHBondContact O-N 3.4Å; A112-M117 HydrophobicContact CB-SD 4.25Å
113P61.6Low76.1Confident74 Ų7469.4 Ų69.448%0.48138%0.383SS..PPolyproline II helixtrans-50.7141.7176.5-2633.4000112.2S115 Q116 M117P113-S115 PolarHBondContact O-N 3.27Å; P113-Q116 WeakPolarHBondContact O-CA 3.32Å; P113-Q116 WeakPolarHBondContact O-CB 3.3Å; P113-Q116 PolarHBondContact O-N 2.92Å; P113-M117 PolarHBondContact O-N 2.98Å
114E56.5Low74.8Confident147 Ų14770 Ų7069%0.68739%0.388SS*.G310 helixtrans-55.5-31.2-175.9-172.3176.2-167.100113A112 Q116 M117A112-E114 PolarHBondContact O-N 3.4Å; E114-Q116 PolarHBondContact O-N 3.44Å; E114-M117 PolarHBondContact O-N 2.86Å; E114-M117 VanDerWaalsContact O-N 3.15Å
115S57.5Low73.7Confident115 Ų11567.7 Ų67.780%0.80438%0.38SS*.G310 helixtrans-64.7-19.217656.50000114.5P113P113-S115 PolarHBondContact O-N 3.27Å
116Q63.7Low72.9Confident139 Ų13969.1 Ų69.165%0.6539%0.389SS*.G310 helixtrans-100.7-10178.5-59.8178.30.200111.8P113 E114 M118P113-Q116 WeakPolarHBondContact O-CA 3.32Å; P113-Q116 WeakPolarHBondContact O-CB 3.3Å; P113-Q116 PolarHBondContact O-N 2.92Å; E114-Q116 PolarHBondContact O-N 3.44Å; Q116-M118 PolarHBondContact O-N 3.2Å
117M65.6Low72.2Confident56 Ų5664 Ų6428%0.27637%0.366SS..PPolyproline II helixtrans-78.6122.4-178.4-69.8-66.3-80.600110.8L54 A112 P113 E114L54-M117 HydrophobicContact CB-CE 4.2Å; L54-M117 HydrophobicContact CD2-CE 3.7Å; A112-M117 HydrophobicContact CB-SD 4.25Å; P113-M117 PolarHBondContact O-N 2.98Å; E114-M117 PolarHBondContact O-N 2.86Å; E114-M117 VanDerWaalsContact O-N 3.15Å
118M73.3Confident71.8Confident57 Ų5765.9 Ų65.928%0.28138%0.375SS..PPolyproline II helixtrans-66.9144.2172.9-70.1-179.6-8200110.6F82 L87 Q116 V122 L123F82-M118 HydrophobicContact CB-CE 4.15Å; F82-M118 HydrophobicContact CD1-CE 3.7Å; F82-M118 HydrophobicContact CD1-SD 3.9Å; F82-M118 HydrophobicContact CD2-CE 4.09Å; F82-M118 HydrophobicContact CE1-CE 4.07Å; F82-M118 HydrophobicContact CE1-SD 3.63Å; F82-M118 HydrophobicContact CE2-CE 4.43Å; F82-M118 HydrophobicContact CE2-SD 4.32Å; F82-M118 HydrophobicContact CG-CE 3.7Å; F82-M118 HydrophobicContact CG-SD 4.34Å; F82-M118 HydrophobicContact CZ-CE 4.43Å; F82-M118 HydrophobicContact CZ-SD 3.87Å; L87-M118 HydrophobicContact CD1-CE 3.51Å; Q116-M118 PolarHBondContact O-N 3.2Å; M118-V122 HydrophobicContact SD-CG1 4.31Å; M118-L123 HydrophobicContact CB-CD1 4.38Å; M118-L123 HydrophobicContact CB-CD2 3.91Å; M118-L123 HydrophobicContact CB-CG 3.95Å; M118-L123 HydrophobicContact CE-CD2 3.69Å; M118-L123 WeakPolarHBondContact O-CD1 3.31Å; M118-L123 HydrophobicContact SD-CD2 4.43Å
119P74.1Confident71.6Confident80 Ų8063 Ų6352%0.51936%0.359SS..PPolyproline II helixtrans-68.2150.4-178.722.6-27.2000112N121 V122 L123P119-N121 VanDerWaalsContact C-N 3.26Å; P119-N121 WeakPolarHBondContact CB-OD1 3.26Å; P119-N121 PolarHBondContact O-N 2.93Å; P119-N121 VanDerWaalsContact O-N 3.13Å; P119-V122 HydrophobicContact CG-CG2 3.95Å; P119-V122 WeakPolarHBondContact O-CA 3.48Å; P119-V122 WeakPolarHBondContact O-CB 3.35Å; P119-V122 PolarHBondContact O-N 2.81Å; P119-L123 PolarHBondContact O-N 2.82Å
120A70.3Confident71.4Confident16 Ų1662.5 Ų62.513%0.13236%0.357CS..Hα-helixtrans-58.9-31.1-169.800000115.5K51 L54 V122 L123 T124 V169K51-A120 HydrophobicContact CB-CB 4.14Å; K51-A120 HydrophobicContact CD-CB 3.49Å; K51-A120 VanDerWaalsContact CD-CB 3.49Å; K51-A120 HydrophobicContact CG-CB 3.53Å; L54-A120 HydrophobicContact CD1-CB 3.67Å; A120-V122 PolarHBondContact O-N 2.96Å; A120-L123 PolarHBondContact O-N 2.71Å; A120-T124 WeakPolarHBondContact O-CB 3.45Å; A120-T124 PolarHBondContact O-N 3.33Å; A120-V169 HydrophobicContact CB-CG2 4.24Å
121N71.1Confident71.5Confident114 Ų11457.6 Ų57.661%0.6134%0.337SS*.Hα-helixtrans-66.7-25.6175.661-31.2000112.5P119P119-N121 VanDerWaalsContact C-N 3.26Å; P119-N121 WeakPolarHBondContact CB-OD1 3.26Å; P119-N121 PolarHBondContact O-N 2.93Å; P119-N121 VanDerWaalsContact O-N 3.13Å
122V75.7Confident72Confident52 Ų5258.3 Ų58.332%0.31533%0.332SS..Hα-helixtrans-82.2-42174.7177.60000110.3F82 M118 P119 A120 N126F82-V122 HydrophobicContact CE2-CG1 3.98Å; F82-V122 WeakPolarHBondContact CE2-O 3.29Å; F82-V122 HydrophobicContact CZ-CG1 3.53Å; M118-V122 HydrophobicContact SD-CG1 4.31Å; P119-V122 HydrophobicContact CG-CG2 3.95Å; P119-V122 WeakPolarHBondContact O-CA 3.48Å; P119-V122 WeakPolarHBondContact O-CB 3.35Å; P119-V122 PolarHBondContact O-N 2.81Å; A120-V122 PolarHBondContact O-N 2.96Å; V122-N126 PolarHBondContact O-ND2 2.87Å
123L74.6Confident72.8Confident13 Ų1359.9 Ų59.97%0.06833%0.334CS..Hα-helixtrans-71.6-37.3-176.8-69.1175000113.9L54 F82 M118 P119 A120 G125 N126 V127 V169L54-L123 HydrophobicContact CD1-CD1 3.74Å; L54-L123 HydrophobicContact CD2-CD1 3.67Å; L54-L123 HydrophobicContact CG-CD1 4.37Å; F82-L123 HydrophobicContact CD2-CD2 3.98Å; F82-L123 HydrophobicContact CE2-CD2 4.25Å; M118-L123 HydrophobicContact CB-CD1 4.38Å; M118-L123 HydrophobicContact CB-CD2 3.91Å; M118-L123 HydrophobicContact CB-CG 3.95Å; M118-L123 HydrophobicContact CE-CD2 3.69Å; M118-L123 WeakPolarHBondContact O-CD1 3.31Å; M118-L123 HydrophobicContact SD-CD2 4.43Å; P119-L123 PolarHBondContact O-N 2.82Å; A120-L123 PolarHBondContact O-N 2.71Å; L123-G125 PolarHBondContact O-N 3.35Å; L123-N126 PolarHBondContact O-N 3.01Å; L123-V127 HydrophobicContact CB-CG2 3.98Å; L123-V127 HydrophobicContact CD2-CG2 3.7Å; L123-V127 HydrophobicContact CG-CG2 4.41Å; L123-V127 WeakPolarHBondContact O-CG2 3.24Å; L123-V127 PolarHBondContact O-N 2.82Å; L123-V169 HydrophobicContact CB-CG1 4.47Å
124T70.3Confident73.7Confident46 Ų4657.3 Ų57.328%0.28232%0.315SS..THydrogen-bonded Turntrans-57.3127.6-172.6-166.60000112.5A120 N126 L170A120-T124 WeakPolarHBondContact O-CB 3.45Å; A120-T124 PolarHBondContact O-N 3.33Å; T124-N126 PolarHBondContact O-N 2.95Å; T124-N126 VanDerWaalsContact O-N 3.16Å; T124-N126 PolarHBondContact O-ND2 3.34Å; T124-L170 PolarHBondContact OG1-N 2.83Å; T124-L170 VanDerWaalsContact OG1-N 3.16Å
125G71.7Confident74.9Confident30 Ų3051 Ų5131%0.30929%0.286SS..THydrogen-bonded Turntrans73.7-5.2-179.800000115.3L123 L170L123-G125 PolarHBondContact O-N 3.35Å; G125-L170 PolarHBondContact N-O 2.98Å
126N78.5Confident76Confident51 Ų5149.2 Ų49.227%0.27327%0.267SS..THydrogen-bonded Turntrans-110.8-5.8-178.8-66.3-54.4000113.3F82 K83 V122 L123 T124F82-N126 WeakPolarHBondContact CA-O 3.29Å; F82-N126 HydrophobicContact CD2-CB 3.87Å; F82-N126 HydrophobicContact CE2-CB 3.59Å; K83-N126 HydrophobicContact CG-CB 4.19Å; K83-N126 PolarHBondContact N-O 2.79Å; V122-N126 PolarHBondContact O-ND2 2.87Å; L123-N126 PolarHBondContact O-N 3.01Å; T124-N126 PolarHBondContact O-N 2.95Å; T124-N126 VanDerWaalsContact O-N 3.16Å; T124-N126 PolarHBondContact O-ND2 3.34Å
127V76.5Confident75.9Confident13 Ų1349 Ų498%0.07927%0.271CS..EExtended strand (participates in β ladder)trans-94.2126177.9175.80000109.9V80 F81 F82 L123 I129 I171 R172V80-V127 HydrophobicContact CG1-CG1 3.97Å; F81-V127 CarbonylContact O-C 3.48Å; F81-V127 VanDerWaalsContact O-CA 3.31Å; F81-V127 WeakPolarHBondContact O-CA 3.48Å; F82-V127 HydrophobicContact CD2-CG2 4.38Å; L123-V127 HydrophobicContact CB-CG2 3.98Å; L123-V127 HydrophobicContact CD2-CG2 3.7Å; L123-V127 HydrophobicContact CG-CG2 4.41Å; L123-V127 WeakPolarHBondContact O-CG2 3.24Å; L123-V127 PolarHBondContact O-N 2.82Å; V127-I129 HydrophobicContact CG1-CG1 4.43Å; V127-I171 HydrophobicContact CG1-CG2 4.48Å; V127-R172 PolarHBondContact O-N 2.81Å
128I80.4Confident75.2Confident51 Ų5148.5 Ų48.526%0.26227%0.269SS..EExtended strand (participates in β ladder)trans-116129.7171.9-61.8170.7000109.1F81 R172 S174F81-I128 HydrophobicContact CB-CB 4.25Å; F81-I128 PolarHBondContact N-O 2.82Å; F81-I128 PolarHBondContact O-N 2.86Å; I128-R172 CarbonylContact C-O 3.58Å; I128-R172 WeakPolarHBondContact CA-O 3.43Å; I128-R172 HydrophobicContact CG1-CB 4.21Å; I128-S174 WeakPolarHBondContact CG2-OG 3.24Å
129I80.8Confident74Confident32 Ų3251.6 Ų51.616%0.16428%0.283CS..EExtended strand (participates in β ladder)trans-105.1108.2169.8-58.9-178.7000108.2Q78 K79 V80 V127 I171 R172 A173Q78-I129 HydrophobicContact CG-CG2 3.8Å; K79-I129 WeakPolarHBondContact O-CA 3.26Å; V80-I129 HydrophobicContact CG2-CG1 4.45Å; V127-I129 HydrophobicContact CG1-CG1 4.43Å; I129-I171 HydrophobicContact CB-CG2 4.4Å; I129-I171 HydrophobicContact CD1-CD1 4.36Å; I129-I171 HydrophobicContact CD1-CG2 3.78Å; I129-I171 HydrophobicContact CG1-CG2 3.77Å; I129-R172 PolarHBondContact N-O 2.82Å; I129-A173 WeakPolarHBondContact O-CA 3.22Å; I129-A173 WeakPolarHBondContact O-CB 3.33Å
130E81Confident72.4Confident13 Ų1348.8 Ų48.86%0.06127%0.268CS..EExtended strand (participates in β ladder)trans-81.4130.6168.8-176.5175.2-10500108.5Q78 K79 F81 K132 L176Q78-E130 CarbonylContact C-O 3.49Å; Q78-E130 WeakPolarHBondContact CA-O 3.47Å; Q78-E130 WeakPolarHBondContact CG-O 3.39Å; K79-E130 HydrophobicContact CB-CB 4.39Å; K79-E130 PolarHBondContact N-O 3.3Å; K79-E130 PolarHBondContact O-N 3.06Å; F81-E130 HydrophobicContact CD2-CB 4.31Å; F81-E130 HydrophobicContact CE2-CB 3.85Å; E130-K132 WeakPolarHBondContact OE2-CE 3.14Å; E130-K132 IonicContact OE2-NZ 3.41Å; E130-K132 PolarHBondContact OE2-NZ 2.92Å; E130-L176 PolarHBondContact OE1-N 3.36Å
131T81.5Confident70.8Confident43 Ų4350.1 Ų50.126%0.26427%0.272SS..EExtended strand (participates in β ladder)trans-124.4130178.4-58.40000109.8L76 E77 Q78 F133L76-T131 HydrophobicContact CD1-CG2 3.57Å; L76-T131 HydrophobicContact CD2-CG2 3.99Å; L76-T131 HydrophobicContact CG-CG2 3.7Å; E77-T131 WeakPolarHBondContact O-CA 3.23Å; Q78-T131 HydrophobicContact CG-CG2 4.08Å; Q78-T131 VanDerWaalsContact CG-OG1 3.28Å; Q78-T131 WeakPolarHBondContact CG-OG1 3.42Å; Q78-T131 PolarHBondContact NE2-OG1 2.82Å; T131-F133 HydrophobicContact CG2-CD2 4.44Å; T131-F133 HydrophobicContact CG2-CE1 4.38Å; T131-F133 HydrophobicContact CG2-CE2 3.84Å; T131-F133 HydrophobicContact CG2-CZ 3.82Å
132K81.9Confident69.3Low56 Ų5647.5 Ų47.524%0.24326%0.262CS..EExtended strand (participates in β ladder)trans-122.1132.1175.7-65.5179.2-175.2170.50109.8L76 E77 E130 Y134L76-K132 VanDerWaalsContact CA-O 3.31Å; L76-K132 WeakPolarHBondContact CA-O 3.36Å; E77-K132 PolarHBondContact N-O 3.21Å; E77-K132 PolarHBondContact O-N 3.44Å; E130-K132 WeakPolarHBondContact OE2-CE 3.14Å; E130-K132 IonicContact OE2-NZ 3.41Å; E130-K132 PolarHBondContact OE2-NZ 2.92Å; K132-Y134 HydrophobicContact CB-CD2 4.34Å; K132-Y134 HydrophobicContact CB-CE2 3.45Å; K132-Y134 VanDerWaalsContact CB-CE2 3.45Å; K132-Y134 VanDerWaalsContact CD-OH 3.27Å; K132-Y134 WeakPolarHBondContact CD-OH 3.42Å
133F82.4Confident67.1Low60 Ų6047.5 Ų47.526%0.26326%0.262SS..EExtended strand (participates in β ladder)trans-104.7137.5177.4-61.8-84.7000109.1F15 F74 L76 T131F15-F133 HydrophobicContact CE1-CE1 4.26Å; F15-F133 HydrophobicContact CE1-CZ 4.48Å; F15-F133 HydrophobicContact CZ-CD1 4.4Å; F15-F133 HydrophobicContact CZ-CE1 4.22Å; F74-F133 HydrophobicContact CE2-CB 4.12Å; F74-F133 AromaticContact CE2-CD1 3.73Å; F74-F133 HydrophobicContact CE2-CD1 3.73Å; F74-F133 HydrophobicContact CE2-CG 4.38Å; F74-F133 AromaticContact CZ-CD1 3.59Å; F74-F133 HydrophobicContact CZ-CD1 3.59Å; F74-F133 HydrophobicContact CZ-CE1 4.14Å; L76-F133 HydrophobicContact CD1-CD1 4.16Å; L76-F133 HydrophobicContact CD1-CE1 3.66Å; L76-F133 HydrophobicContact CD1-CZ 4.22Å; T131-F133 HydrophobicContact CG2-CD2 4.44Å; T131-F133 HydrophobicContact CG2-CE1 4.38Å; T131-F133 HydrophobicContact CG2-CE2 3.84Å; T131-F133 HydrophobicContact CG2-CZ 3.82Å
134Y79.8Confident65Low20 Ų2050 Ų508%0.07828%0.281CS..EExtended strand (participates in β ladder)trans-135.4154.3-179.2-55.9-96.2000111.2F74 R75 E77 K132F74-Y134 VanDerWaalsContact CA-O 3.32Å; F74-Y134 WeakPolarHBondContact CA-O 3.26Å; F74-Y134 WeakPolarHBondContact CD2-O 3.28Å; R75-Y134 HydrophobicContact CG-CD2 4.25Å; R75-Y134 HydrophobicContact CG-CG 4.35Å; R75-Y134 PolarHBondContact N-O 2.71Å; R75-Y134 PolarHBondContact O-N 2.9Å; E77-Y134 HydrophobicContact CB-CE2 3.85Å; E77-Y134 HydrophobicContact CG-CD2 4.16Å; E77-Y134 HydrophobicContact CG-CE2 3.5Å; E77-Y134 VanDerWaalsContact CG-CE2 3.5Å; E77-Y134 WeakPolarHBondContact OE2-CE2 3.48Å; E77-Y134 VanDerWaalsContact OE2-CZ 3.3Å; E77-Y134 PolarHBondContact OE2-OH 2.95Å; K132-Y134 HydrophobicContact CB-CD2 4.34Å; K132-Y134 HydrophobicContact CB-CE2 3.45Å; K132-Y134 VanDerWaalsContact CB-CE2 3.45Å; K132-Y134 VanDerWaalsContact CD-OH 3.27Å; K132-Y134 WeakPolarHBondContact CD-OH 3.42Å
135D82.8Confident62.9Low13 Ų1354 Ų547%0.0730%0.3CS..EExtended strand (participates in β ladder)trans-129.4109.4167-179.227.2000108.8I11 L71 E72 K73 L138I11-D135 HydrophobicContact CD1-CB 4.34Å; L71-D135 WeakPolarHBondContact CA-OD2 3.5Å; L71-D135 HydrophobicContact CB-CB 4.33Å; L71-D135 HydrophobicContact CD2-CB 4.02Å; E72-D135 PolarHBondContact N-OD1 3.43Å; K73-D135 PolarHBondContact N-OD1 3.09Å; D135-L138 WeakPolarHBondContact O-CB 3.36Å; D135-L138 PolarHBondContact O-N 3.37Å
136N79.3Confident60.5Low78 Ų7857.9 Ų57.942%0.41732%0.319SS..THydrogen-bonded Turntrans61.3-150.5-174.6-157.90.2000113.4K73K73-N136 PolarHBondContact O-N 3Å
137D62.2Low58Low136 Ų13659.7 Ų59.773%0.72733%0.332SS*.THydrogen-bonded Turntrans-77.7-6.3166.9-67.9-24.4000112.6H139D137-H139 PolarHBondContact O-N 3.26Å; D137-H139 PolarHBondContact O-ND1 3.46Å
138L51.2Low55.4Low45 Ų4568.9 Ų68.924%0.23637%0.372CS..BIsolated β-bridgetrans-62.7100.1164.1-119.7130.2000105D4 R7 D135 G140D4-L138 HydrophobicContact CB-CD2 3.74Å; D4-L138 HydrophobicContact CB-CG 4.09Å; D4-L138 WeakPolarHBondContact O-CD2 3.4Å; R7-L138 HydrophobicContact CB-CD2 4.07Å; R7-L138 HydrophobicContact CG-CD2 4.06Å; D135-L138 WeakPolarHBondContact O-CB 3.36Å; D135-L138 PolarHBondContact O-N 3.37Å; L138-G140 PolarHBondContact O-N 2.76Å
139H47.3Very low52.6Low122 Ų12271.1 Ų71.157%0.56539%0.392SS*.  trans-59.285.8156.1-62.285.3000104.1D137 E141D137-H139 PolarHBondContact O-N 3.26Å; D137-H139 PolarHBondContact O-ND1 3.46Å; H139-E141 WeakPolarHBondContact O-CA 3.31Å; H139-E141 PolarHBondContact O-N 2.85Å
140G40.7Very low50.1Low21 Ų2173.7 Ų73.722%0.21641%0.411CS..  trans-52101.4160.300000103.5L138 S142L138-G140 PolarHBondContact O-N 2.76Å; G140-S142 PolarHBondContact O-N 3.17Å
141E38Very low47.4Very low44 Ų4479.1 Ų79.121%0.20644%0.444CS..  trans-24.1120.5-153.9-73.7171.7145.700112.3E5 A8 K9 H139 V143E5-E141 HydrophobicContact CB-CG 4.27Å; E5-E141 WeakPolarHBondContact CB-OE1 3.46Å; E5-E141 HydrophobicContact CG-CG 4.11Å; E5-E141 VanDerWaalsContact CG-OE1 3.26Å; E5-E141 WeakPolarHBondContact CG-OE1 3.49Å; A8-E141 HydrophobicContact CB-CB 4.06Å; A8-E141 HydrophobicContact CB-CG 3.82Å; K9-E141 WeakPolarHBondContact CE-OE1 3.42Å; K9-E141 VanDerWaalsContact CE-OE2 3.26Å; K9-E141 WeakPolarHBondContact CE-OE2 3.49Å; K9-E141 IonicContact NZ-OE1 2.91Å; K9-E141 PolarHBondContact NZ-OE1 2.91Å; H139-E141 WeakPolarHBondContact O-CA 3.31Å; H139-E141 PolarHBondContact O-N 2.85Å; E141-V143 HydrophobicContact CB-CB 4.3Å; E141-V143 HydrophobicContact CB-CG2 3.26Å; E141-V143 HydrophobicContact CG-CG2 4.08Å; E141-V143 PolarHBondContact O-N 3.44Å; E141-V143 WeakPolarHBondContact OE2-CG2 3.3Å
142S38.4Very low44.7Very low58 Ų5882.6 Ų82.641%0.40647%0.469SS..  trans-51.175.3133.8-53.10000107.9G140 S144G140-S142 PolarHBondContact O-N 3.17Å; S142-S144 PolarHBondContact O-N 3.01Å; S142-S144 PolarHBondContact O-OG 3.45Å
143V28.9Very low42.1Very low53 Ų5385.5 Ų85.532%0.32149%0.492SS..  trans-7187.3166.7-177.10000104.9E141 L145 K175E141-V143 HydrophobicContact CB-CB 4.3Å; E141-V143 HydrophobicContact CB-CG2 3.26Å; E141-V143 HydrophobicContact CG-CG2 4.08Å; E141-V143 PolarHBondContact O-N 3.44Å; E141-V143 WeakPolarHBondContact OE2-CG2 3.3Å; V143-L145 HydrophobicContact CG1-CD1 3.62Å; V143-L145 HydrophobicContact CG1-CG 3.61Å; V143-L145 PolarHBondContact O-N 3.29Å; V143-K175 WeakPolarHBondContact O-CE 3.38Å; V143-K175 PolarHBondContact O-NZ 3.1Å
144S31.6Very low39.7Very low66 Ų6688.5 Ų88.546%0.46252%0.517SS..  trans-8696.5168.1-2.70000106.4S142S142-S144 PolarHBondContact O-N 3.01Å; S142-S144 PolarHBondContact O-OG 3.45Å
145L26.1Very low37.5Very low129 Ų12993.8 Ų93.868%0.67555%0.545SS*.  trans-104.9152.3169.8-75.1174.1000109.1V143 T147 S177V143-L145 HydrophobicContact CG1-CD1 3.62Å; V143-L145 HydrophobicContact CG1-CG 3.61Å; V143-L145 PolarHBondContact O-N 3.29Å; L145-T147 PolarHBondContact O-N 2.87Å; L145-S177 WeakPolarHBondContact O-CB 3.27Å
146P21.8Very low35.1Very low111 Ų11197.9 Ų97.972%0.72158%0.575SS**PPolyproline II helixtrans-59.5134.1-161.921.2-33.3000113.4F148P146-F148 PolarHBondContact O-N 2.95Å
147T25.9Very low33Very low89 Ų89103.9 Ų103.955%0.54660%0.601SS.*PPolyproline II helixtrans-62.8123.3166.736.40000110.4L145 L176L145-T147 PolarHBondContact O-N 2.87Å; T147-L176 HydrophobicContact CG2-CD2 4.17Å
148F21.1Very low31.6Very low207 Ų207100.4 Ų100.491%0.90859%0.591SS**PPolyproline II helixtrans-95.9133.3159-119.9-94.4000109.2P146P146-F148 PolarHBondContact O-N 2.95Å
149S22.5Very low30.8Very low97 Ų97104.4 Ų104.468%0.67862%0.62SS**PPolyproline II helixtrans-53.1149178.7-164.50000112.5V151S149-V151 PolarHBondContact O-N 3.35Å; S149-V151 VanDerWaalsContact O-N 3.09Å
150P27.5Very low30.4Very low86 Ų86103.7 Ų103.756%0.55861%0.612SS**  trans-66.1113.2-179.426.8-33.7000110.4C152P150-C152 PolarHBondContact O-N 2.85Å; P150-C152 VanDerWaalsContact O-N 3.13Å
151V24Very low29.9Very low127 Ų127112.8 Ų112.877%0.7764%0.64SS**  trans-69.5104.3151.8177.70000105.7S149 T153S149-V151 PolarHBondContact O-N 3.35Å; S149-V151 VanDerWaalsContact O-N 3.09Å; V151-T153 VanDerWaalsContact C-N 3.28Å; V151-T153 PolarHBondContact O-N 2.87Å
152C25.7Very low30Very low117 Ų117113.3 Ų113.379%0.79164%0.644SS**  trans-59.992.8165-75.70000108.7P150P150-C152 PolarHBondContact O-N 2.85Å; P150-C152 VanDerWaalsContact O-N 3.13Å
153T27.8Very low29.9Very low117 Ų117118.1 Ų118.172%0.71867%0.671SS**PPolyproline II helixtrans-75.9125.4155.71.90000107.6V151 I155V151-T153 VanDerWaalsContact C-N 3.28Å; V151-T153 PolarHBondContact O-N 2.87Å; T153-I155 PolarHBondContact O-N 2.88Å
154P30.3Very low30.3Very low123 Ų123120 Ų12080%0.79968%0.679SS**PPolyproline II helixtrans-60.5121.4176.9-16.728.6000109.3S156P154-S156 PolarHBondContact O-N 2.77Å
155I34.9Very low30.4Very low130 Ų130119.1 Ų119.167%0.66768%0.68SS**PPolyproline II helixtrans-69.6120.1166.9-63172.5000106.2T153 E157T153-I155 PolarHBondContact O-N 2.88Å; I155-E157 PolarHBondContact O-N 2.85Å
156S32.6Very low31Very low100 Ų100115.9 Ų115.970%0.69966%0.662SS**PPolyproline II helixtrans-56.3122170.559.30000109.5P154 A158P154-S156 PolarHBondContact O-N 2.77Å; S156-A158 PolarHBondContact O-N 3.36Å
157E35.4Very low32.3Very low203 Ų203114.3 Ų114.395%0.94965%0.65SS**  trans-6095.2174.3-64.7178.916400110.4I155I155-E157 PolarHBondContact O-N 2.85Å
158A31.8Very low32.8Very low63 Ų63110.2 Ų110.252%0.52163%0.626SS.*  trans-128.4124.9166.800000109S156 W160S156-A158 PolarHBondContact O-N 3.36Å; A158-W160 VanDerWaalsContact O-CD1 3.3Å; A158-W160 PolarHBondContact O-N 2.76Å
159P35.5Very low33.8Very low129 Ų129100.6 Ų100.684%0.83858%0.584SS**  trans-74.495.617728.7-31000109.2
160W37.4Very low34.5Very low108 Ų10897 Ų9741%0.40956%0.556SS.*  trans-80.2124.8175.446.3-93.9000109.7A158 A168A158-W160 VanDerWaalsContact O-CD1 3.3Å; A158-W160 PolarHBondContact O-N 2.76Å; W160-A168 HydrophobicContact CH2-CB 3.72Å; W160-A168 HydrophobicContact CZ3-CB 3.38Å
161R30.4Very low35.3Very low211 Ų21194.3 Ų94.380%0.79654%0.537SS*.  trans-105.4134.6171.1-66.4-174.5-177.2-151.30.6108
162L39.4Very low35.9Very low56 Ų5691.6 Ų91.629%0.29351%0.513SS..  trans-60.2159.6163.4-69.4170.1000109.1D164 G165 E166 A168L162-D164 WeakPolarHBondContact CB-OD1 2.98Å; L162-D164 PolarHBondContact O-N 3.42Å; L162-G165 PolarHBondContact O-N 3.19Å; L162-E166 WeakPolarHBondContact CB-O 3.07Å; L162-E166 HydrophobicContact CD1-CB 4.28Å; L162-E166 PolarHBondContact N-O 3.19Å; L162-A168 HydrophobicContact CD1-CB 3.98Å; L162-A168 HydrophobicContact CG-CB 4.42Å
163T36.7Very low36.5Very low159 Ų15987.2 Ų87.298%0.97549%0.485SS*.THydrogen-bonded Turntrans-58-12.7-177.445.90000114.2
164D37.4Very low36.7Very low93 Ų9382.8 Ų82.850%0.49746%0.459SS..THydrogen-bonded Turntrans-106.16.3177.657.60.6000113.9K52 L162 E166K52-D164 IonicContact NZ-OD2 3.94Å; L162-D164 WeakPolarHBondContact CB-OD1 2.98Å; L162-D164 PolarHBondContact O-N 3.42Å; D164-E166 PolarHBondContact O-N 3.39Å; D164-E166 PolarHBondContact OD1-N 3.32Å
165G33.2Very low37.2Very low46 Ų4680.7 Ų80.747%0.47444%0.438SS..SBendtrans74.96.2-178.800000114.5L162L162-G165 PolarHBondContact O-N 3.19Å
166E40Very low36.9Very low61 Ų6179.5 Ų79.529%0.28543%0.432SS..PPolyproline II helixtrans-78.9135.6175.7-69.7-174.9-175.800111.2P50 K52 L162 D164P50-E166 WeakPolarHBondContact CB-OE2 3.12Å; K52-E166 IonicContact NZ-OE1 3.37Å; K52-E166 PolarHBondContact NZ-OE1 3.03Å; K52-E166 IonicContact NZ-OE2 2.65Å; K52-E166 PolarHBondContact NZ-OE2 2.87Å; L162-E166 WeakPolarHBondContact CB-O 3.07Å; L162-E166 HydrophobicContact CD1-CB 4.28Å; L162-E166 PolarHBondContact N-O 3.19Å; D164-E166 PolarHBondContact O-N 3.39Å; D164-E166 PolarHBondContact OD1-N 3.32Å
167T48Very low36.9Very low78 Ų7876.7 Ų76.748%0.47941%0.412SS..PPolyproline II helixtrans-70.4135.8164.442.50000109.8K51K51-T167 WeakPolarHBondContact CD-OG1 3.35Å; K51-T167 VanDerWaalsContact CE-CB 3.49Å; K51-T167 WeakPolarHBondContact CE-OG1 3.41Å; K51-T167 VanDerWaalsContact CG-O 3.27Å; K51-T167 WeakPolarHBondContact CG-O 3.47Å; K51-T167 VanDerWaalsContact NZ-CB 3.31Å; K51-T167 PolarHBondContact NZ-OG1 2.74Å
168A36.3Very low36.6Very low4 Ų470.1 Ų70.13%0.03340%0.399CS..EExtended strand (participates in β ladder)trans-96.4162.1177.200000112.4R48 V49 W160 L162R48-A168 HydrophobicContact CB-CB 3.94Å; V49-A168 CarbonylContact O-C 3.49Å; V49-A168 VanDerWaalsContact O-CA 3.31Å; V49-A168 WeakPolarHBondContact O-CA 3.15Å; V49-A168 WeakPolarHBondContact O-CB 3.49Å; W160-A168 HydrophobicContact CH2-CB 3.72Å; W160-A168 HydrophobicContact CZ3-CB 3.38Å; L162-A168 HydrophobicContact CD1-CB 3.98Å; L162-A168 HydrophobicContact CG-CB 4.42Å
169V43.3Very low37Very low5 Ų576.3 Ų76.33%0.0342%0.417CS..EExtended strand (participates in β ladder)trans-96124.2165.6-178.10000106.8R48 V49 K51 L54 A120 L123 I171R48-V169 WeakPolarHBondContact CA-O 3.43Å; V49-V169 HydrophobicContact CG2-CB 3.91Å; V49-V169 PolarHBondContact N-O 3.34Å; V49-V169 PolarHBondContact O-N 2.85Å; K51-V169 HydrophobicContact CG-CG2 3.86Å; L54-V169 HydrophobicContact CD1-CG2 4.31Å; A120-V169 HydrophobicContact CB-CG2 4.24Å; L123-V169 HydrophobicContact CB-CG1 4.47Å; V169-I171 HydrophobicContact CG1-CG1 4.38Å
170L37.9Very low36.7Very low20 Ų2079.1 Ų79.111%0.10542%0.419CS..EExtended strand (participates in β ladder)trans-81.6118.7170.3-179.265.2000109.1E46 R48 T124 G125E46-L170 HydrophobicContact CB-CD1 3.83Å; E46-L170 HydrophobicContact CG-CD1 3.97Å; R48-L170 HydrophobicContact CG-CD1 4.05Å; T124-L170 PolarHBondContact OG1-N 2.83Å; T124-L170 VanDerWaalsContact OG1-N 3.16Å; G125-L170 PolarHBondContact N-O 2.98Å
171I43.2Very low36.6Very low30 Ų3079.2 Ų79.215%0.15444%0.442CS..EExtended strand (participates in β ladder)trans-105.1130170.1-61.9174.4000106.9A47 V49 V127 I129 V169A47-I171 HydrophobicContact CB-CB 4.43Å; A47-I171 PolarHBondContact N-O 2.85Å; A47-I171 PolarHBondContact O-N 3.43Å; V49-I171 HydrophobicContact CG1-CD1 4.13Å; V49-I171 HydrophobicContact CG2-CD1 3.64Å; V49-I171 HydrophobicContact CG2-CG1 4.21Å; V127-I171 HydrophobicContact CG1-CG2 4.48Å; I129-I171 HydrophobicContact CB-CG2 4.4Å; I129-I171 HydrophobicContact CD1-CD1 4.36Å; I129-I171 HydrophobicContact CD1-CG2 3.78Å; I129-I171 HydrophobicContact CG1-CG2 3.77Å; V169-I171 HydrophobicContact CG1-CG1 4.38Å
172R36.1Very low36.7Very low70 Ų7072.4 Ų72.426%0.26444%0.438SS..EExtended strand (participates in β ladder)trans-101.1142.1170.9-76.3156.9170.7-138.211.3108.9E44 H45 E46 V127 I128 I129E44-R172 HydrophobicContact CG-CB 3.93Å; E44-R172 HydrophobicContact CG-CG 4.15Å; E44-R172 WeakPolarHBondContact OE1-CD 3.27Å; E44-R172 WeakPolarHBondContact OE1-CG 3.4Å; E44-R172 IonicContact OE1-CZ 3.87Å; E44-R172 IonicContact OE1-NE 2.84Å; E44-R172 PolarHBondContact OE1-NE 2.76Å; E44-R172 IonicContact OE1-NH1 2.7Å; E44-R172 PolarHBondContact OE1-NH1 3.45Å; H45-R172 CarbonylContact O-C 3.54Å; H45-R172 VanDerWaalsContact O-CA 3.3Å; H45-R172 WeakPolarHBondContact O-CA 3.27Å; E46-R172 HydrophobicContact CG-CG 4.33Å; E46-R172 IonicContact OE1-NE 3.37Å; E46-R172 IonicContact OE1-NH2 3.38Å; V127-R172 PolarHBondContact O-N 2.81Å; I128-R172 CarbonylContact C-O 3.58Å; I128-R172 WeakPolarHBondContact CA-O 3.43Å; I128-R172 HydrophobicContact CG1-CB 4.21Å; I129-R172 PolarHBondContact N-O 2.82Å
173A39.6Very low35.9Very low25 Ų2577.4 Ų77.421%0.20747%0.465CS..EExtended strand (participates in β ladder)trans-115.3110.5169.800000107E44 H45 I129E44-A173 CarbonylContact C-O 3.59Å; E44-A173 VanDerWaalsContact CA-O 3.25Å; E44-A173 WeakPolarHBondContact CA-O 3.41Å; H45-A173 HydrophobicContact CB-CB 4.28Å; H45-A173 PolarHBondContact N-O 2.98Å; H45-A173 PolarHBondContact O-N 2.8Å; I129-A173 WeakPolarHBondContact O-CA 3.22Å; I129-A173 WeakPolarHBondContact O-CB 3.33Å
174S31.4Very low35.4Very low24 Ų2481.5 Ų81.517%0.16846%0.463CS..  trans-132.6152.517551.50000110.1E44 I128E44-S174 WeakPolarHBondContact OE2-CB 3.17Å; E44-S174 PolarHBondContact OE2-OG 2.7Å; I128-S174 WeakPolarHBondContact CG2-OG 3.24Å
175K39.8Very low34.8Very low80 Ų8083.7 Ų83.735%0.34848%0.48SS..PPolyproline II helixtrans-101.6128.3176.5-173.9179.9-173.8-179.60108.7V143V143-K175 WeakPolarHBondContact O-CE 3.38Å; V143-K175 PolarHBondContact O-NZ 3.1Å
176L30.4Very low34.5Very low105 Ų10592 Ų9255%0.5550%0.497SS..PPolyproline II helixtrans-96.6142.5171.2-74.3168.2000110.3E130 T147E130-L176 PolarHBondContact OE1-N 3.36Å; T147-L176 HydrophobicContact CG2-CD2 4.17Å
177S32.4Very low33.7Very low41 Ų4194.5 Ų94.529%0.28752%0.516SS..PPolyproline II helixtrans-99.9135.8176.562.60000112.1L145L145-S177 WeakPolarHBondContact O-CB 3.27Å
178G28.6Very low32.7Very low65 Ų65100.5 Ų100.567%0.6753%0.53SS*.  trans118.4120.2145.600000117.2
179E40.7Very low32.2Very low193 Ų193105.9 Ų105.990%0.90256%0.562SS**  trans-73.5117.2157-75.8178.9121.400109.9
180H28.9Very low31.4Very low188 Ų188108.4 Ų108.487%0.8758%0.579SS**  trans-167130135.5-98.1-66.5000107.7G182H180-G182 PolarHBondContact O-N 2.74Å
181A35.2Very low31.3Very low109 Ų109110 Ų11090%0.90159%0.592SS**SBendtrans-58122.717000000109.9
182G31.9Very low31.1Very low68 Ų68115.4 Ų115.470%0.70162%0.617SS**  trans90.486.1167.200000115.6H180H180-G182 PolarHBondContact O-N 2.74Å
183D23.9Very low31.3Very low162 Ų162118.8 Ų118.887%0.86664%0.635SS**  -171131.5122.7-110.3-23.4000110.7
184W26.3Very low31.2Very low244 Ų244121.3 Ų121.392%0.92465%0.645SS**  trans-77137.4-177.3-65.984.2000110.8
185T22.8Very low31.6Very low139 Ų139122.7 Ų122.785%0.85366%0.658SS**  trans-130.7111.3154.6-50.80000109.9
186R27.5Very low31.9Very low221 Ų221126.5 Ų126.583%0.83467%0.671SS**  trans-69.9140.6177.9-104.1175174160.1-1.1110.9
187V23.6Very low32.5Very low114 Ų114127.1 Ų127.169%0.69167%0.674SS**  trans-132.4115.7152.6-177.60000108.8
188R26.7Very low33Very low203 Ų203132.7 Ų132.777%0.76669%0.689SS**  trans-77.2150.2169.6-82.4-176.3-173.2175.83109.1
189V26.8Very low33.7Very low118 Ų118133 Ų13372%0.71569%0.685SS**  trans-135.5127134.5-174.10000110.3
190C25.2Very low34.1Very low57 Ų57128 Ų12839%0.38568%0.677SS.*  trans-53.3150175-77.80000114D194 A195C190-D194 HydrophobicContact CB-CB 3.64Å; C190-A195 HydrophobicContact CB-CB 4.47Å
191S36.8Very low35Very low55 Ų55122 Ų12239%0.38566%0.656SS.*  trans-65.2162.1154.6690000110.1E193 D194 A195S191-E193 PolarHBondContact O-N 2.99Å; S191-E193 VanDerWaalsContact O-N 3.14Å; S191-E193 PolarHBondContact OG-N 2.7Å; S191-D194 WeakPolarHBondContact CB-OD2 3.45Å; S191-D194 PolarHBondContact N-OD2 3.41Å; S191-D194 PolarHBondContact O-N 2.86Å; S191-D194 PolarHBondContact OG-N 3.07Å; S191-D194 PolarHBondContact OG-OD2 2.92Å; S191-A195 PolarHBondContact O-N 2.76Å
192E38Very low35.5Very low142 Ų142120.3 Ų120.366%0.66465%0.649SS**Hα-helixtrans-56.9-27174.4-149.4-172.214300111.9R196E192-R196 WeakPolarHBondContact O-CG 3.4Å; E192-R196 PolarHBondContact O-N 2.84Å; E192-R196 IonicContact OE1-CZ 3.61Å; E192-R196 IonicContact OE1-NH1 3.76Å; E192-R196 IonicContact OE1-NH2 2.91Å; E192-R196 PolarHBondContact OE1-NH2 2.87Å
193E41.7Very low36.2Very low141 Ų141118.9 Ų118.966%0.65963%0.634SS**Hα-helixtrans-73.4-40.4173.8-73.7-178.5138.900112.8S191 A195 R196 L197S191-E193 PolarHBondContact O-N 2.99Å; S191-E193 VanDerWaalsContact O-N 3.14Å; S191-E193 PolarHBondContact OG-N 2.7Å; E193-A195 VanDerWaalsContact C-N 3.32Å; E193-A195 PolarHBondContact O-N 3.2Å; E193-R196 PolarHBondContact O-N 2.99Å; E193-L197 WeakPolarHBondContact O-CG 3.4Å; E193-L197 PolarHBondContact O-N 2.95Å
194D37.4Very low36.7Very low78 Ų78118.4 Ų118.442%0.41763%0.626SS.*Hα-helixtrans-68.4-32.1179.1-61.1-51000112C190 S191 W198C190-D194 HydrophobicContact CB-CB 3.64Å; S191-D194 WeakPolarHBondContact CB-OD2 3.45Å; S191-D194 PolarHBondContact N-OD2 3.41Å; S191-D194 PolarHBondContact O-N 2.86Å; S191-D194 PolarHBondContact OG-N 3.07Å; S191-D194 PolarHBondContact OG-OD2 2.92Å; D194-W198 WeakPolarHBondContact O-CB 3.36Å; D194-W198 PolarHBondContact O-N 3.19Å; D194-W198 VanDerWaalsContact O-N 3.14Å
195A40Very low37.2Very low53 Ų53110.3 Ų110.344%0.43861%0.612SS.*Hα-helixtrans-70.2-36.4173.800000112.2C190 S191 E193 A199C190-A195 HydrophobicContact CB-CB 4.47Å; S191-A195 PolarHBondContact O-N 2.76Å; E193-A195 VanDerWaalsContact C-N 3.32Å; E193-A195 PolarHBondContact O-N 3.2Å; A195-A199 WeakPolarHBondContact O-CB 3.4Å; A195-A199 PolarHBondContact O-N 3.11Å; A195-A199 VanDerWaalsContact O-N 3.14Å
196R44.5Very low37.8Very low161 Ų161112.1 Ų112.161%0.60861%0.61SS**Hα-helixtrans-67.7-42.3174.2-78.2-177.7177.3130.215112.1E192 E193 A199 A200E192-R196 WeakPolarHBondContact O-CG 3.4Å; E192-R196 PolarHBondContact O-N 2.84Å; E192-R196 IonicContact OE1-CZ 3.61Å; E192-R196 IonicContact OE1-NH1 3.76Å; E192-R196 IonicContact OE1-NH2 2.91Å; E192-R196 PolarHBondContact OE1-NH2 2.87Å; E193-R196 PolarHBondContact O-N 2.99Å; R196-A199 PolarHBondContact O-N 2.87Å; R196-A200 WeakPolarHBondContact O-CB 3.19Å; R196-A200 PolarHBondContact O-N 2.72Å
197L44.3Very low38.2Very low117 Ų117114.7 Ų114.761%0.61363%0.628SS**Hα-helixtrans-67.6-37.3179.8-73167.7000112.4E193 A200 S201E193-L197 WeakPolarHBondContact O-CG 3.4Å; E193-L197 PolarHBondContact O-N 2.95Å; L197-A200 PolarHBondContact O-N 2.82Å; L197-S201 PolarHBondContact O-N 3.05Å; L197-S201 VanDerWaalsContact O-N 3.14Å
198W41.9Very low38.9Very low158 Ų158114.8 Ų114.860%0.59863%0.625SS**Hα-helixtrans-69.6-39.5175.2-178.579.7000113D194 A200 S201D194-W198 WeakPolarHBondContact O-CB 3.36Å; D194-W198 PolarHBondContact O-N 3.19Å; D194-W198 VanDerWaalsContact O-N 3.14Å; W198-A200 VanDerWaalsContact C-N 3.26Å; W198-A200 PolarHBondContact O-N 2.87Å; W198-S201 PolarHBondContact O-N 3.35Å; W198-S201 PolarHBondContact O-OG 2.59Å; W198-S201 VanDerWaalsContact O-OG 3.14Å
199A44.1Very low39.5Very low73 Ų73110.1 Ų110.160%0.60362%0.617SS**Hα-helixtrans-65-31.9173.600000112.2A195 R196A195-A199 WeakPolarHBondContact O-CB 3.4Å; A195-A199 PolarHBondContact O-N 3.11Å; A195-A199 VanDerWaalsContact O-N 3.14Å; R196-A199 PolarHBondContact O-N 2.87Å
200A48.6Very low40.2Very low87 Ų87109.7 Ų109.772%0.71961%0.612SS**Hα-helixtrans-75.4-22.6176.100000113.7R196 L197 W198R196-A200 WeakPolarHBondContact O-CB 3.19Å; R196-A200 PolarHBondContact O-N 2.72Å; L197-A200 PolarHBondContact O-N 2.82Å; W198-A200 VanDerWaalsContact C-N 3.26Å; W198-A200 PolarHBondContact O-N 2.87Å
201S47.3Very low41.1Very low63 Ų63112.8 Ų112.844%0.44163%0.625SS.*THydrogen-bonded Turntrans-92.29.8-178.874.30000114.3L197 W198 G203L197-S201 PolarHBondContact O-N 3.05Å; L197-S201 VanDerWaalsContact O-N 3.14Å; W198-S201 PolarHBondContact O-N 3.35Å; W198-S201 PolarHBondContact O-OG 2.59Å; W198-S201 VanDerWaalsContact O-OG 3.14Å; S201-G203 PolarHBondContact O-N 3.34Å; S201-G203 VanDerWaalsContact O-N 3.15Å
202G45.9Very low41.4Very low73 Ų73116.4 Ų116.475%0.75364%0.64SS**THydrogen-bonded Turntrans65.916177.100000114.7
203G46Very low41.6Very low37 Ų37114.7 Ų114.738%0.38164%0.639SS.*THydrogen-bonded Turntrans81.36.6175.700000116.3S201S201-G203 PolarHBondContact O-N 3.34Å; S201-G203 VanDerWaalsContact O-N 3.15Å
204E35.5Very low41.6Very low152 Ų152112.8 Ų112.871%0.7164%0.637SS**  trans-83.6123.1172-74.6-170.2143.400111.4
205A36.8Very low42Very low74 Ų74115.5 Ų115.561%0.61265%0.654SS**  trans-96.1112.2173.700000109.2
206H35.4Very low42.1Very low178 Ų178120.7 Ų120.782%0.82467%0.672SS**  trans-80.3123.1163.2-72.7-75.3000108.6
207F35Very low41.9Very low275 Ų275117 Ų117100%1.20668%0.678SS**  trans-68.90179.6-70.8-87.6000112.6

Retrieved 207 of 207 residues in 204.1 ms (Link to these results)

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