A0A087XDE6_POEFO Loading...

Ephrin A2

AlphaFold DB , UniProt , Accession A0A087XDE6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 129 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
1M79.9Confident90.6Very high160 Ų16062.1 Ų62.179%0.78829%0.29SS*.  0146.50-73.5178.6-134.800108.3P32 Q33M1-P32 HydrophobicContact CB-CB 4.06Å; M1-P32 HydrophobicContact CB-CG 4.08Å; M1-P32 HydrophobicContact CG-CB 4.33Å; M1-P32 HydrophobicContact CG-CG 4.45Å; M1-P32 HydrophobicContact SD-CB 3.86Å; M1-P32 HydrophobicContact SD-CG 3.65Å; M1-Q33 HydrophobicContact CE-CG 4.01Å; M1-Q33 HydrophobicContact SD-CG 3.66Å
2E82.9Confident90.8Very high110 Ų11065.8 Ų65.851%0.51431%0.313SS..  trans-92.9138.1-175.5-54.3-164.4150.800111Y4E2-Y4 HydrophobicContact CB-CD2 4.26Å; E2-Y4 HydrophobicContact CB-CE2 3.49Å; E2-Y4 VanDerWaalsContact CB-CE2 3.49Å; E2-Y4 HydrophobicContact CG-CE2 4.33Å; E2-Y4 PolarHBondContact OE1-OH 3.47Å; E2-Y4 WeakPolarHBondContact OE2-CE2 3.18Å; E2-Y4 PolarHBondContact OE2-OH 3.43Å
3H86.8Confident90.9Very high65 Ų6561.1 Ų61.130%0.30129%0.293SS..  trans-132128.6177.2-62.4-99000107.8C29 P32 H70H3-C29 WeakPolarHBondContact CA-O 3.1Å; H3-P32 VanDerWaalsContact CE1-CD 3.46Å; H3-P32 WeakPolarHBondContact CE1-CD 2.98Å; H3-H70 HydrophobicContact CB-CB 4.29Å; H3-H70 PolarHBondContact O-N 2.98Å
4Y89.2Confident91.1Very high36 Ų3658.9 Ų58.914%0.14128%0.28CS..EExtended strand (participates in β ladder)trans-133.3148.2-175.7-63.8-72.1000111.2E2 C29 P69E2-Y4 HydrophobicContact CB-CD2 4.26Å; E2-Y4 HydrophobicContact CB-CE2 3.49Å; E2-Y4 VanDerWaalsContact CB-CE2 3.49Å; E2-Y4 HydrophobicContact CG-CE2 4.33Å; E2-Y4 PolarHBondContact OE1-OH 3.47Å; E2-Y4 WeakPolarHBondContact OE2-CE2 3.18Å; E2-Y4 PolarHBondContact OE2-OH 3.43Å; Y4-C29 PolarHBondContact N-O 3.31Å; Y4-C29 PolarHBondContact O-N 3.48Å; Y4-P69 HydrophobicContact CE1-CB 4.41Å
5I91.4Very high91.1Very high37 Ų3762.4 Ų62.419%0.1930%0.298CS..EExtended strand (participates in β ladder)trans-110.4126.6165.8-54179000107Y7 K25 E28 S67 S68I5-Y7 HydrophobicContact CB-CD2 4.42Å; I5-Y7 HydrophobicContact CB-CE2 3.6Å; I5-Y7 HydrophobicContact CG2-CD2 4.11Å; I5-Y7 HydrophobicContact CG2-CE1 4.23Å; I5-Y7 HydrophobicContact CG2-CE2 3.41Å; I5-Y7 VanDerWaalsContact CG2-CE2 3.41Å; I5-Y7 VanDerWaalsContact CG2-CZ 3.47Å; I5-Y7 WeakPolarHBondContact O-CD2 3.4Å; I5-K25 HydrophobicContact CG2-CD 4.04Å; I5-K25 HydrophobicContact CG2-CG 3.68Å; I5-E28 HydrophobicContact CG1-CG 4.28Å; I5-E28 HydrophobicContact CG2-CG 4.3Å; I5-S67 WeakPolarHBondContact O-CA 2.89Å; I5-S68 PolarHBondContact N-O 2.79Å; I5-S68 PolarHBondContact O-N 3.42Å
6L94Very high91Very high47 Ų4763.2 Ų63.225%0.24631%0.312CS..EExtended strand (participates in β ladder)trans-90.5126.7178.2-68.4171.5000109.1R26 W27 F41L6-R26 PolarHBondContact O-N 3.41Å; L6-W27 HydrophobicContact CB-CB 4.4Å; L6-W27 HydrophobicContact CB-CE3 4.12Å; L6-W27 HydrophobicContact CD1-CB 4.28Å; L6-W27 HydrophobicContact CD1-CE3 3.94Å; L6-W27 PolarHBondContact N-O 2.71Å; L6-W27 PolarHBondContact O-N 3.26Å; L6-F41 HydrophobicContact CD1-CD2 4.45Å
7Y93.7Very high91Very high29 Ų2962.6 Ų62.611%0.11432%0.315CS..EExtended strand (participates in β ladder)trans-118.1137.7176.4-63.2-93.9000109.9I5 H19 F24 K25 Y65 I66I5-Y7 HydrophobicContact CB-CD2 4.42Å; I5-Y7 HydrophobicContact CB-CE2 3.6Å; I5-Y7 HydrophobicContact CG2-CD2 4.11Å; I5-Y7 HydrophobicContact CG2-CE1 4.23Å; I5-Y7 HydrophobicContact CG2-CE2 3.41Å; I5-Y7 VanDerWaalsContact CG2-CE2 3.41Å; I5-Y7 VanDerWaalsContact CG2-CZ 3.47Å; I5-Y7 WeakPolarHBondContact O-CD2 3.4Å; Y7-H19 HydrophobicContact CD1-CB 3.74Å; Y7-H19 AromaticContact CD1-CD2 3.76Å; Y7-H19 AromaticContact CD1-CG 3.83Å; Y7-H19 HydrophobicContact CD2-CB 4.06Å; Y7-H19 AromaticContact CD2-CG 3.84Å; Y7-H19 AromaticContact CD2-ND1 4Å; Y7-H19 HydrophobicContact CE1-CB 4.25Å; Y7-H19 AromaticContact CE1-CD2 3.34Å; Y7-H19 WeakPolarHBondContact CE1-CD2 3.37Å; Y7-H19 AromaticContact CE1-CG 3.84Å; Y7-H19 AromaticContact CE1-NE2 3.91Å; Y7-H19 AromaticContact CE2-CD2 3.85Å; Y7-H19 AromaticContact CE2-CE1 3.86Å; Y7-H19 AromaticContact CE2-CG 3.85Å; Y7-H19 AromaticContact CE2-ND1 3.86Å; Y7-H19 AromaticContact CE2-NE2 3.85Å; Y7-H19 HydrophobicContact CG-CB 3.63Å; Y7-H19 AromaticContact CG-CG 3.83Å; Y7-H19 AromaticContact CZ-CD2 3.39Å; Y7-H19 AromaticContact CZ-CE1 3.95Å; Y7-H19 AromaticContact CZ-CG 3.86Å; Y7-H19 AromaticContact CZ-NE2 3.47Å; Y7-H19 PolarHBondContact OH-NE2 2.94Å; Y7-F24 CarbonylContact C-O 3.6Å; Y7-F24 VanDerWaalsContact CA-O 3.26Å; Y7-F24 WeakPolarHBondContact CA-O 3.47Å; Y7-K25 HydrophobicContact CD1-CB 4.03Å; Y7-K25 HydrophobicContact CE1-CB 3.78Å; Y7-K25 HydrophobicContact CE1-CG 4.24Å; Y7-Y65 CarbonylContact O-C 3.56Å; Y7-Y65 VanDerWaalsContact O-CA 3.23Å; Y7-Y65 WeakPolarHBondContact O-CA 3.26Å; Y7-I66 PolarHBondContact N-O 3.04Å; Y7-I66 PolarHBondContact O-N 3.37Å
8M94.9Very high90.8Very high16 Ų1661.4 Ų61.48%0.07931%0.313CS..EExtended strand (participates in β ladder)trans-85.9128.7161.7-171.2173-179.500108.1G23 F24 F55 F57 Y63 Y64 Y65M8-G23 CarbonylContact O-C 3.57Å; M8-G23 WeakPolarHBondContact O-CA 3.43Å; M8-F24 PolarHBondContact N-O 3.36Å; M8-F24 PolarHBondContact O-N 2.94Å; M8-F55 HydrophobicContact CE-CB 4.46Å; M8-F55 HydrophobicContact CE-CD1 3.84Å; M8-F55 HydrophobicContact CE-CE1 4.44Å; M8-F55 HydrophobicContact CE-CG 4.25Å; M8-F55 HydrophobicContact SD-CB 4.21Å; M8-F55 HydrophobicContact SD-CD1 3.34Å; M8-F55 WeakPolarHBondContact SD-CD1 3.27Å; M8-F55 HydrophobicContact SD-CD2 3.97Å; M8-F55 HydrophobicContact SD-CE1 3.61Å; M8-F55 HydrophobicContact SD-CE2 4.21Å; M8-F55 HydrophobicContact SD-CG 3.54Å; M8-F55 VanDerWaalsContact SD-CG 3.54Å; M8-F55 HydrophobicContact SD-CZ 4.05Å; M8-F57 HydrophobicContact CE-CE1 4.04Å; M8-F57 HydrophobicContact CE-CZ 4.3Å; M8-Y63 HydrophobicContact CE-CD1 3.4Å; M8-Y63 HydrophobicContact CE-CE1 4.16Å; M8-Y63 HydrophobicContact CE-CG 4.2Å; M8-Y64 WeakPolarHBondContact CA-O 3.31Å; M8-Y65 HydrophobicContact CB-CD1 4.09Å; M8-Y65 HydrophobicContact CB-CE1 3.81Å; M8-Y65 HydrophobicContact CG-CE1 4.1Å; M8-Y65 HydrophobicContact CG-CE2 4.46Å; M8-Y65 HydrophobicContact SD-CE1 4.43Å
9V94.3Very high90.8Very high11 Ų1159.5 Ų59.57%0.06730%0.303CS..EExtended strand (participates in β ladder)trans-132.1166.2-173.5-66.90000111.2H19 Y64 I66V9-H19 HydrophobicContact CG1-CB 4.1Å; V9-Y64 PolarHBondContact N-O 2.95Å; V9-I66 HydrophobicContact CG1-CD1 3.92Å; V9-I66 HydrophobicContact CG1-CG1 3.88Å; V9-I66 HydrophobicContact CG2-CD1 4.49Å; V9-I66 HydrophobicContact CG2-CG1 4.19Å; V9-I66 HydrophobicContact CG2-CG2 3.97Å
10N94.5Very high90.4Very high51 Ų5166.4 Ų66.427%0.27333%0.327SS..  trans-78.1177166.273.9-22.9000111.4D12 G13 Y14 N22N10-D12 VanDerWaalsContact C-N 3.34Å; N10-D12 PolarHBondContact ND2-OD2 3.4Å; N10-D12 PolarHBondContact O-N 2.84Å; N10-G13 PolarHBondContact O-N 3.18Å; N10-G13 PolarHBondContact OD1-N 3.28Å; N10-Y14 PolarHBondContact O-N 3.39Å; N10-N22 HydrophobicContact CB-CB 4.41Å; N10-N22 PolarHBondContact ND2-ND2 2.03Å; N10-N22 VanDerWaalsContact ND2-ND2 3.2Å
11Y94.8Very high89.8Confident121 Ų12174.3 Ų74.348%0.47535%0.353SS..Hα-helixtrans-56.3-44.1178.9-179.3-103.9000112.9G13 Y14 M15 Y64Y11-G13 PolarHBondContact O-N 3.47Å; Y11-Y14 WeakPolarHBondContact O-CB 3.31Å; Y11-Y14 PolarHBondContact O-N 3.21Å; Y11-M15 HydrophobicContact CD1-CG 4.23Å; Y11-M15 HydrophobicContact CD2-CG 4.39Å; Y11-M15 HydrophobicContact CE1-CG 3.81Å; Y11-M15 HydrophobicContact CE2-CG 3.99Å; Y11-M15 HydrophobicContact CE2-SD 4.17Å; Y11-M15 WeakPolarHBondContact O-CG 3.44Å; Y11-M15 PolarHBondContact O-N 2.8Å; Y11-Y64 HydrophobicContact CD2-CE1 4.02Å; Y11-Y64 HydrophobicContact CD2-CE2 4.27Å; Y11-Y64 AromaticContact CD2-CZ 3.68Å; Y11-Y64 WeakPolarHBondContact CD2-OH 3.35Å
12D93.1Very high89.9Confident106 Ų10670.9 Ų70.957%0.56734%0.338SS*.Hα-helixtrans-63.8-42.2179.9-53.7-39000112.2N10 Y14 M15 S16N10-D12 VanDerWaalsContact C-N 3.34Å; N10-D12 PolarHBondContact ND2-OD2 3.4Å; N10-D12 PolarHBondContact O-N 2.84Å; D12-Y14 VanDerWaalsContact C-N 3.3Å; D12-Y14 PolarHBondContact O-N 2.8Å; D12-M15 PolarHBondContact O-N 3.39Å; D12-S16 WeakPolarHBondContact O-CB 3.25Å; D12-S16 PolarHBondContact O-N 3.47Å; D12-S16 PolarHBondContact O-OG 2.86Å
13G92.2Very high90Very high5 Ų566.8 Ų66.85%0.05233%0.325CS..Hα-helixtrans-63.2-37.6175.100000112.2N10 Y11 C17 S18N10-G13 PolarHBondContact O-N 3.18Å; N10-G13 PolarHBondContact OD1-N 3.28Å; Y11-G13 PolarHBondContact O-N 3.47Å; G13-C17 CarbonylContact O-C 3.53Å; G13-C17 WeakPolarHBondContact O-CA 3.46Å; G13-C17 PolarHBondContact O-N 3.31Å; G13-S18 WeakPolarHBondContact CA-O 3.19Å; G13-S18 PolarHBondContact O-N 2.95Å
14Y93.3Very high90.2Very high31 Ų3169.6 Ų69.612%0.12234%0.337CS..Hα-helixtrans-64.7-43.2174.2178.3-95.8000112.8N10 Y11 D12 Y64 I66 K80 K82N10-Y14 PolarHBondContact O-N 3.39Å; Y11-Y14 WeakPolarHBondContact O-CB 3.31Å; Y11-Y14 PolarHBondContact O-N 3.21Å; D12-Y14 VanDerWaalsContact C-N 3.3Å; D12-Y14 PolarHBondContact O-N 2.8Å; Y14-Y64 AromaticContact CD1-CD1 3.82Å; Y14-Y64 HydrophobicContact CD1-CD1 3.82Å; Y14-Y64 HydrophobicContact CD1-CE1 4.22Å; Y14-Y64 AromaticContact CD2-CD1 3.71Å; Y14-Y64 HydrophobicContact CD2-CD1 3.71Å; Y14-Y64 HydrophobicContact CD2-CG 4.16Å; Y14-Y64 HydrophobicContact CE1-CD1 4.26Å; Y14-Y64 HydrophobicContact CE2-CD1 4.11Å; Y14-Y64 AromaticContact CG-CD1 3.53Å; Y14-Y64 HydrophobicContact CG-CD1 3.53Å; Y14-Y64 HydrophobicContact CG-CE1 4.36Å; Y14-Y64 HydrophobicContact CG-CG 4Å; Y14-I66 HydrophobicContact CD2-CG2 4.18Å; Y14-K80 HydrophobicContact CD2-CB 3.97Å; Y14-K80 HydrophobicContact CD2-CD 4.39Å; Y14-K80 HydrophobicContact CD2-CG 4.5Å; Y14-K80 HydrophobicContact CE1-CD 4.05Å; Y14-K80 HydrophobicContact CE2-CB 3.48Å; Y14-K80 VanDerWaalsContact CE2-CB 3.48Å; Y14-K80 HydrophobicContact CE2-CD 3.78Å; Y14-K80 HydrophobicContact CE2-CG 3.67Å; Y14-K82 HydrophobicContact CE2-CB 4.35Å
15M91.9Very high90.4Very high111 Ų11173.1 Ų73.155%0.54735%0.353SS..Hα-helixtrans-71.8-35.6179.6-68.2-59.2-73.900112.5Y11 D12Y11-M15 HydrophobicContact CD1-CG 4.23Å; Y11-M15 HydrophobicContact CD2-CG 4.39Å; Y11-M15 HydrophobicContact CE1-CG 3.81Å; Y11-M15 HydrophobicContact CE2-CG 3.99Å; Y11-M15 HydrophobicContact CE2-SD 4.17Å; Y11-M15 WeakPolarHBondContact O-CG 3.44Å; Y11-M15 PolarHBondContact O-N 2.8Å; D12-M15 PolarHBondContact O-N 3.39Å
16S89.7Confident90.5Very high75 Ų7574.7 Ų74.752%0.52436%0.356SS..Hα-helixtrans-92.5-1.3-178.962.20000114.6D12 S18D12-S16 WeakPolarHBondContact O-CB 3.25Å; D12-S16 PolarHBondContact O-N 3.47Å; D12-S16 PolarHBondContact O-OG 2.86Å; S16-S18 PolarHBondContact O-N 3.45Å; S16-S18 WeakPolarHBondContact OG-CB 3.1Å
17C89.8Confident90.5Very high53 Ų5374.6 Ų74.636%0.35835%0.353SS..THydrogen-bonded Turntrans53.932.8-172-76.90000113.4G13 C78G13-C17 CarbonylContact O-C 3.53Å; G13-C17 WeakPolarHBondContact O-CA 3.46Å; G13-C17 PolarHBondContact O-N 3.31Å; C17-C78 VanDerWaalsContact CA-SG 3.55Å; C17-C78 HydrophobicContact CB-CB 3.6Å; C17-C78 WeakPolarHBondContact CB-SG 3.43Å; C17-C78 WeakPolarHBondContact SG-CB 3.45Å; C17-C78 CovalentContact SG-SG 2.03Å; C17-C78 PolarHBondContact SG-SG 3.25Å
18S88.4Confident90.4Very high41 Ų4176.7 Ų76.729%0.28736%0.364SS..  trans-119.4132.1-174.5-175.80000111.8G13 S16G13-S18 WeakPolarHBondContact CA-O 3.19Å; G13-S18 PolarHBondContact O-N 2.95Å; S16-S18 PolarHBondContact O-N 3.45Å; S16-S18 WeakPolarHBondContact OG-CB 3.1Å
19H89.7Confident90.2Very high26 Ų2678 Ų7812%0.1237%0.374CS..  trans-108.9-2.1178.260-87.3000113.3Y7 V9 R21 G23 I66Y7-H19 HydrophobicContact CD1-CB 3.74Å; Y7-H19 AromaticContact CD1-CD2 3.76Å; Y7-H19 AromaticContact CD1-CG 3.83Å; Y7-H19 HydrophobicContact CD2-CB 4.06Å; Y7-H19 AromaticContact CD2-CG 3.84Å; Y7-H19 AromaticContact CD2-ND1 4Å; Y7-H19 HydrophobicContact CE1-CB 4.25Å; Y7-H19 AromaticContact CE1-CD2 3.34Å; Y7-H19 WeakPolarHBondContact CE1-CD2 3.37Å; Y7-H19 AromaticContact CE1-CG 3.84Å; Y7-H19 AromaticContact CE1-NE2 3.91Å; Y7-H19 AromaticContact CE2-CD2 3.85Å; Y7-H19 AromaticContact CE2-CE1 3.86Å; Y7-H19 AromaticContact CE2-CG 3.85Å; Y7-H19 AromaticContact CE2-ND1 3.86Å; Y7-H19 AromaticContact CE2-NE2 3.85Å; Y7-H19 HydrophobicContact CG-CB 3.63Å; Y7-H19 AromaticContact CG-CG 3.83Å; Y7-H19 AromaticContact CZ-CD2 3.39Å; Y7-H19 AromaticContact CZ-CE1 3.95Å; Y7-H19 AromaticContact CZ-CG 3.86Å; Y7-H19 AromaticContact CZ-NE2 3.47Å; Y7-H19 PolarHBondContact OH-NE2 2.94Å; V9-H19 HydrophobicContact CG1-CB 4.1Å; H19-R21 PolarHBondContact O-N 2.92Å; H19-G23 VanDerWaalsContact O-CA 3.22Å; H19-G23 WeakPolarHBondContact O-CA 3.4Å; H19-G23 PolarHBondContact O-N 3.18Å; H19-I66 HydrophobicContact CB-CD1 4.21Å
20Y84.2Confident90Very high197 Ų19780.7 Ų80.777%0.77339%0.388SS*.THydrogen-bonded Turntrans-67.6-32.2-169.2-73.1-72000115.1
21R77.9Confident89.9Confident232 Ų23285.7 Ų85.788%0.87540%0.403SS*.THydrogen-bonded Turntrans-94.7-41.4-173.5-68-173.2176.4-175.3-1.2113.2H19H19-R21 PolarHBondContact O-N 2.92Å
22N80.8Confident89.5Confident89 Ų8982.9 Ų82.948%0.47640%0.4SS..THydrogen-bonded Turntrans-140.631.1-171.7-64-36.7000112N10N10-N22 HydrophobicContact CB-CB 4.41Å; N10-N22 PolarHBondContact ND2-ND2 2.03Å; N10-N22 VanDerWaalsContact ND2-ND2 3.2Å
23G86.1Confident89.4Confident24 Ų2485 Ų8525%0.24741%0.406CS..  trans-104.2128.7-179.300000112.3M8 H19M8-G23 CarbonylContact O-C 3.57Å; M8-G23 WeakPolarHBondContact O-CA 3.43Å; H19-G23 VanDerWaalsContact O-CA 3.22Å; H19-G23 WeakPolarHBondContact O-CA 3.4Å; H19-G23 PolarHBondContact O-N 3.18Å
24F91.4Very high89.3Confident124 Ų12486.2 Ų86.254%0.54441%0.414SS..EExtended strand (participates in β ladder)trans-103121.9171.9-60.2-83.1000109.4Y7 M8 R26 F55Y7-F24 CarbonylContact C-O 3.6Å; Y7-F24 VanDerWaalsContact CA-O 3.26Å; Y7-F24 WeakPolarHBondContact CA-O 3.47Å; M8-F24 PolarHBondContact N-O 3.36Å; M8-F24 PolarHBondContact O-N 2.94Å; F24-R26 PolarHBondContact O-N 2.68Å; F24-F55 HydrophobicContact CB-CE1 4.46Å; F24-F55 HydrophobicContact CB-CE2 4.35Å; F24-F55 HydrophobicContact CB-CZ 3.58Å; F24-F55 HydrophobicContact CD1-CZ 4.32Å; F24-F55 AromaticContact CD2-CE1 3.9Å; F24-F55 HydrophobicContact CD2-CE1 3.9Å; F24-F55 AromaticContact CD2-CZ 3.82Å; F24-F55 HydrophobicContact CD2-CZ 3.82Å; F24-F55 HydrophobicContact CE2-CE1 4.39Å; F24-F55 HydrophobicContact CG-CE1 4.2Å; F24-F55 AromaticContact CG-CZ 3.65Å; F24-F55 HydrophobicContact CG-CZ 3.65Å
25K92.3Very high89.1Confident110 Ų11090.7 Ų90.748%0.47845%0.447SS..EExtended strand (participates in β ladder)trans-64.7120.8174.6-177178178.8-179.60109.3I5 Y7 E28I5-K25 HydrophobicContact CG2-CD 4.04Å; I5-K25 HydrophobicContact CG2-CG 3.68Å; Y7-K25 HydrophobicContact CD1-CB 4.03Å; Y7-K25 HydrophobicContact CE1-CB 3.78Å; Y7-K25 HydrophobicContact CE1-CG 4.24Å; K25-E28 VanDerWaalsContact CE-CG 3.43Å; K25-E28 WeakPolarHBondContact CE-OE1 3.33Å; K25-E28 IonicContact NZ-OE1 2.57Å; K25-E28 PolarHBondContact NZ-OE1 2.92Å
26R93.4Very high89.1Confident69 Ų6992.8 Ų92.826%0.2646%0.46SS..EExtended strand (participates in β ladder)trans-106.7-45.8-173.8-165.270.1-174.893-2.5112.7L6 F24 E43 Y65L6-R26 PolarHBondContact O-N 3.41Å; F24-R26 PolarHBondContact O-N 2.68Å; R26-E43 IonicContact CZ-OE1 2.8Å; R26-E43 IonicContact CZ-OE2 3.63Å; R26-E43 IonicContact NE-OE1 2.75Å; R26-E43 IonicContact NE-OE2 3.69Å; R26-E43 PolarHBondContact NE-OE2 2.81Å; R26-E43 IonicContact NH2-OE1 3.86Å; R26-E43 PolarHBondContact NH2-OE1 2.98Å; R26-E43 IonicContact NH2-OE2 2.73Å; R26-E43 PolarHBondContact NH2-OE2 2.84Å; R26-Y65 HydrophobicContact CB-CE1 4.49Å; R26-Y65 HydrophobicContact CG-CE1 4.22Å
27W93.8Very high89.2Confident45 Ų4590.9 Ų90.917%0.1745%0.452CS..EExtended strand (participates in β ladder)trans-151.5166.1178.3-55.7-75.5000112.6L6 F41 E43 Y65L6-W27 HydrophobicContact CB-CB 4.4Å; L6-W27 HydrophobicContact CB-CE3 4.12Å; L6-W27 HydrophobicContact CD1-CB 4.28Å; L6-W27 HydrophobicContact CD1-CE3 3.94Å; L6-W27 PolarHBondContact N-O 2.71Å; L6-W27 PolarHBondContact O-N 3.26Å; W27-F41 HydrophobicContact CB-CD1 3.87Å; W27-F41 HydrophobicContact CB-CD2 3.68Å; W27-F41 HydrophobicContact CB-CE1 3.94Å; W27-F41 HydrophobicContact CB-CE2 3.76Å; W27-F41 HydrophobicContact CB-CG 3.74Å; W27-F41 HydrophobicContact CB-CZ 3.9Å; W27-F41 AromaticContact CD1-CD1 3.15Å; W27-F41 AromaticContact CD1-CE1 3.79Å; W27-F41 AromaticContact CD1-CG 3.47Å; W27-F41 VanDerWaalsContact CD1-CG 3.47Å; W27-F41 HydrophobicContact CD2-CB 3.79Å; W27-F41 HydrophobicContact CD2-CD1 4.43Å; W27-F41 HydrophobicContact CD2-CD2 4.46Å; W27-F41 AromaticContact CD2-CG 3.98Å; W27-F41 HydrophobicContact CD2-CG 3.98Å; W27-F41 HydrophobicContact CE3-CB 4.47Å; W27-F41 HydrophobicContact CG-CB 3.79Å; W27-F41 AromaticContact CG-CD1 3.55Å; W27-F41 HydrophobicContact CG-CD1 3.55Å; W27-F41 AromaticContact CG-CD2 3.87Å; W27-F41 HydrophobicContact CG-CD2 3.87Å; W27-F41 HydrophobicContact CG-CE1 4.09Å; W27-F41 HydrophobicContact CG-CE2 4.38Å; W27-F41 AromaticContact CG-CG 3.43Å; W27-F41 HydrophobicContact CG-CG 3.43Å; W27-F41 VanDerWaalsContact CG-CG 3.43Å; W27-F41 HydrophobicContact CG-CZ 4.48Å; W27-F41 HydrophobicContact CZ2-CB 4.48Å; W27-F41 AromaticContact NE1-CD1 3.84Å; W27-F41 AromaticContact NE1-CG 3.99Å; W27-E43 HydrophobicContact CH2-CB 3.84Å; W27-E43 HydrophobicContact CH2-CG 4.17Å; W27-E43 WeakPolarHBondContact CH2-OE2 2.97Å; W27-E43 HydrophobicContact CZ2-CB 4.2Å; W27-Y65 HydrophobicContact CH2-CE1 4.22Å; W27-Y65 HydrophobicContact CZ3-CD1 4.26Å; W27-Y65 AromaticContact CZ3-CE1 3.74Å; W27-Y65 HydrophobicContact CZ3-CE1 3.74Å
28E92.9Very high89.4Confident73 Ų7394.4 Ų94.434%0.34147%0.474SS..EExtended strand (participates in β ladder)trans-128.9119.8176.7-65.5179.4-144.700111.6I5 K25 N30 F41I5-E28 HydrophobicContact CG1-CG 4.28Å; I5-E28 HydrophobicContact CG2-CG 4.3Å; K25-E28 VanDerWaalsContact CE-CG 3.43Å; K25-E28 WeakPolarHBondContact CE-OE1 3.33Å; K25-E28 IonicContact NZ-OE1 2.57Å; K25-E28 PolarHBondContact NZ-OE1 2.92Å; E28-N30 VanDerWaalsContact C-N 3.34Å; E28-N30 HydrophobicContact CB-CB 4.46Å; E28-N30 PolarHBondContact O-N 3.33Å; E28-N30 VanDerWaalsContact O-N 3.12Å; E28-F41 VanDerWaalsContact O-CZ 3.27Å; E28-F41 WeakPolarHBondContact O-CZ 3.49Å
29C90.8Very high89.6Confident43 Ų4395 Ų9529%0.29147%0.474SS..EExtended strand (participates in β ladder)trans-83.379.5168.8-60.70000109.1H3 Y4H3-C29 WeakPolarHBondContact CA-O 3.1Å; Y4-C29 PolarHBondContact N-O 3.31Å; Y4-C29 PolarHBondContact O-N 3.48Å
30N90.1Very high89.7Confident69 Ų69102.4 Ų102.437%0.36951%0.506SS..  trans-109.1-8.5-173.962.45.7000114.9E28 P32E28-N30 VanDerWaalsContact C-N 3.34Å; E28-N30 HydrophobicContact CB-CB 4.46Å; E28-N30 PolarHBondContact O-N 3.33Å; E28-N30 VanDerWaalsContact O-N 3.12Å; N30-P32 VanDerWaalsContact O-CD 3.25Å; N30-P32 WeakPolarHBondContact O-CD 3.11Å
31R90.6Very high90.2Very high156 Ų15696.5 Ų96.559%0.58948%0.484SS*.  trans-115.182.4178.4-55.6-175.1-175.993.2-3.3111.8Q33 L39R31-Q33 VanDerWaalsContact C-N 3.33Å; R31-Q33 PolarHBondContact O-N 3.24Å; R31-L39 HydrophobicContact CB-CD1 3.7Å; R31-L39 HydrophobicContact CB-CD2 4.32Å; R31-L39 HydrophobicContact CB-CG 4.04Å; R31-L39 HydrophobicContact CG-CD1 4.16Å
32P87.8Confident90.9Very high62 Ų6289.9 Ų89.940%0.40347%0.474SS..THydrogen-bonded Turntrans-71.3-24.1-179.428.9-36.4000113.9M1 H3 N30M1-P32 HydrophobicContact CB-CB 4.06Å; M1-P32 HydrophobicContact CB-CG 4.08Å; M1-P32 HydrophobicContact CG-CB 4.33Å; M1-P32 HydrophobicContact CG-CG 4.45Å; M1-P32 HydrophobicContact SD-CB 3.86Å; M1-P32 HydrophobicContact SD-CG 3.65Å; H3-P32 VanDerWaalsContact CE1-CD 3.46Å; H3-P32 WeakPolarHBondContact CE1-CD 2.98Å; N30-P32 VanDerWaalsContact O-CD 3.25Å; N30-P32 WeakPolarHBondContact O-CD 3.11Å
33Q89.6Confident91.5Very high149 Ų14988 Ų8870%0.69646%0.462SS*.THydrogen-bonded Turntrans-115.151.6179.1-63.3-66-1900110.4M1 R31M1-Q33 HydrophobicContact CE-CG 4.01Å; M1-Q33 HydrophobicContact SD-CG 3.66Å; R31-Q33 VanDerWaalsContact C-N 3.33Å; R31-Q33 PolarHBondContact O-N 3.24Å
34S90.1Very high91.8Very high31 Ų3193.6 Ų93.622%0.21748%0.479CS..  trans-71.2132.3178.5161.70000110.3N36 G37S34-N36 PolarHBondContact O-N 2.97Å; S34-G37 WeakPolarHBondContact CB-O 3.34Å; S34-G37 PolarHBondContact O-N 2.83Å; S34-G37 PolarHBondContact OG-O 2.67Å
35P90.6Very high91.9Very high125 Ų12592.5 Ų92.581%0.81248%0.475SS*.THydrogen-bonded Turntrans-65.8-23.9-176.726.4-34.7000113.2
36N92.2Very high91.9Very high156 Ų15689.8 Ų89.883%0.83446%0.464SS*.THydrogen-bonded Turntrans-98.824.9-177.8-60.7-24.6000112.5S34S34-N36 PolarHBondContact O-N 2.97Å
37G91.8Very high91.8Very high34 Ų3490.4 Ų90.435%0.35147%0.472SS..SBendtrans81.6-171.3-173.900000113.6S34S34-G37 WeakPolarHBondContact CB-O 3.34Å; S34-G37 PolarHBondContact O-N 2.83Å; S34-G37 PolarHBondContact OG-O 2.67Å
38P92.3Very high91.7Very high128 Ų12894.9 Ų94.983%0.83149%0.492SS*.SBendtrans-59.8144.6-174.3-24.134.4000113.5K40P38-K40 PolarHBondContact O-N 2.82Å
39L93Very high91.6Very high53 Ų5392.8 Ų92.828%0.27749%0.485SS..  trans-59.6124.9171.3-74.8173.1000110.3R31 F41R31-L39 HydrophobicContact CB-CD1 3.7Å; R31-L39 HydrophobicContact CB-CD2 4.32Å; R31-L39 HydrophobicContact CB-CG 4.04Å; R31-L39 HydrophobicContact CG-CD1 4.16Å; L39-F41 HydrophobicContact CB-CE2 4.37Å; L39-F41 HydrophobicContact CB-CZ 4.31Å; L39-F41 HydrophobicContact CD1-CZ 4.48Å
40K92.8Very high91.7Very high181 Ų18197 Ų9779%0.78751%0.512SS*.  trans-110.5127.5178.3-174.1175.7177.1178.90110.6P38P38-K40 PolarHBondContact O-N 2.82Å
41F93.8Very high91.4Very high74 Ų7499.9 Ų99.933%0.32552%0.521SS..  trans-111.9147.5171.3-57.8-62.7000109.5L6 W27 E28 L39L6-F41 HydrophobicContact CD1-CD2 4.45Å; W27-F41 HydrophobicContact CB-CD1 3.87Å; W27-F41 HydrophobicContact CB-CD2 3.68Å; W27-F41 HydrophobicContact CB-CE1 3.94Å; W27-F41 HydrophobicContact CB-CE2 3.76Å; W27-F41 HydrophobicContact CB-CG 3.74Å; W27-F41 HydrophobicContact CB-CZ 3.9Å; W27-F41 AromaticContact CD1-CD1 3.15Å; W27-F41 AromaticContact CD1-CE1 3.79Å; W27-F41 AromaticContact CD1-CG 3.47Å; W27-F41 VanDerWaalsContact CD1-CG 3.47Å; W27-F41 HydrophobicContact CD2-CB 3.79Å; W27-F41 HydrophobicContact CD2-CD1 4.43Å; W27-F41 HydrophobicContact CD2-CD2 4.46Å; W27-F41 AromaticContact CD2-CG 3.98Å; W27-F41 HydrophobicContact CD2-CG 3.98Å; W27-F41 HydrophobicContact CE3-CB 4.47Å; W27-F41 HydrophobicContact CG-CB 3.79Å; W27-F41 AromaticContact CG-CD1 3.55Å; W27-F41 HydrophobicContact CG-CD1 3.55Å; W27-F41 AromaticContact CG-CD2 3.87Å; W27-F41 HydrophobicContact CG-CD2 3.87Å; W27-F41 HydrophobicContact CG-CE1 4.09Å; W27-F41 HydrophobicContact CG-CE2 4.38Å; W27-F41 AromaticContact CG-CG 3.43Å; W27-F41 HydrophobicContact CG-CG 3.43Å; W27-F41 VanDerWaalsContact CG-CG 3.43Å; W27-F41 HydrophobicContact CG-CZ 4.48Å; W27-F41 HydrophobicContact CZ2-CB 4.48Å; W27-F41 AromaticContact NE1-CD1 3.84Å; W27-F41 AromaticContact NE1-CG 3.99Å; E28-F41 VanDerWaalsContact O-CZ 3.27Å; E28-F41 WeakPolarHBondContact O-CZ 3.49Å; L39-F41 HydrophobicContact CB-CE2 4.37Å; L39-F41 HydrophobicContact CB-CZ 4.31Å; L39-F41 HydrophobicContact CD1-CZ 4.48Å
42S92.8Very high91Very high93 Ų9398.3 Ų98.365%0.6553%0.534SS*.  trans-125137.4178.4-55.80000109.4
43E93.3Very high90.6Very high48 Ų48101.6 Ų101.622%0.22455%0.548CS..  trans-120.9136.7172.5-168.567.6-82.800108R26 W27 F57 Y65R26-E43 IonicContact CZ-OE1 2.8Å; R26-E43 IonicContact CZ-OE2 3.63Å; R26-E43 IonicContact NE-OE1 2.75Å; R26-E43 IonicContact NE-OE2 3.69Å; R26-E43 PolarHBondContact NE-OE2 2.81Å; R26-E43 IonicContact NH2-OE1 3.86Å; R26-E43 PolarHBondContact NH2-OE1 2.98Å; R26-E43 IonicContact NH2-OE2 2.73Å; R26-E43 PolarHBondContact NH2-OE2 2.84Å; W27-E43 HydrophobicContact CH2-CB 3.84Å; W27-E43 HydrophobicContact CH2-CG 4.17Å; W27-E43 WeakPolarHBondContact CH2-OE2 2.97Å; W27-E43 HydrophobicContact CZ2-CB 4.2Å; E43-F57 HydrophobicContact CG-CE2 4.11Å; E43-F57 HydrophobicContact CG-CZ 3.87Å; E43-Y65 PolarHBondContact OE2-OH 3.2Å
44K92.4Very high90.2Very high142 Ų14295.6 Ų95.662%0.61753%0.526SS*.  trans-111.6119.4176.6-175.4-178.8176-170.90109.2Q46K44-Q46 HydrophobicContact CG-CB 4.4Å; K44-Q46 PolarHBondContact O-N 2.85Å; K44-Q46 VanDerWaalsContact O-N 3.08Å
45F93.3Very high90.2Very high102 Ų10296.2 Ų96.245%0.44753%0.525SS..  trans-75.996.3173.5-53.6-71.8000109.4F57 I83 V85F45-F57 HydrophobicContact CB-CB 4.26Å; F45-F57 HydrophobicContact CB-CG 4.33Å; F45-F57 HydrophobicContact CD1-CB 4.34Å; F45-F57 AromaticContact CD1-CD1 3.55Å; F45-F57 HydrophobicContact CD1-CD1 3.55Å; F45-F57 HydrophobicContact CD1-CD2 4.1Å; F45-F57 AromaticContact CD1-CE1 3.74Å; F45-F57 HydrophobicContact CD1-CE1 3.74Å; F45-F57 HydrophobicContact CD1-CE2 4.25Å; F45-F57 AromaticContact CD1-CG 3.73Å; F45-F57 HydrophobicContact CD1-CG 3.73Å; F45-F57 HydrophobicContact CD1-CZ 4.08Å; F45-F57 HydrophobicContact CE1-CD1 4.08Å; F45-F57 AromaticContact CE1-CE1 3.84Å; F45-F57 HydrophobicContact CE1-CE1 3.84Å; F45-F57 HydrophobicContact CE1-CZ 4.18Å; F45-I83 HydrophobicContact CE1-CD1 4.01Å; F45-I83 HydrophobicContact CE1-CG2 3.71Å; F45-I83 HydrophobicContact CZ-CD1 3.88Å; F45-I83 HydrophobicContact CZ-CG2 3.79Å; F45-V85 HydrophobicContact CD1-CG2 4.2Å
46Q92.6Very high90.3Very high53 Ų5394.1 Ų94.125%0.24850%0.504CS..  trans-129.1145.4-178.762.7-173.1-3.400110.8K44 F48 F57K44-Q46 HydrophobicContact CG-CB 4.4Å; K44-Q46 PolarHBondContact O-N 2.85Å; K44-Q46 VanDerWaalsContact O-N 3.08Å; Q46-F48 VanDerWaalsContact C-N 3.31Å; Q46-F48 WeakPolarHBondContact CG-O 3.44Å; Q46-F48 PolarHBondContact O-N 2.91Å; Q46-F57 PolarHBondContact O-N 2.73Å
47L91.6Very high90.4Very high81 Ų8186.9 Ų86.942%0.42447%0.465SS..SBendtrans-67.3-32.4-179.1-71.8169.9000113F57 R58 P59L47-F57 WeakPolarHBondContact CD2-O 3.23Å; L47-R58 PolarHBondContact O-NH1 2.96Å; L47-R58 PolarHBondContact O-NH2 2.96Å; L47-P59 HydrophobicContact CD2-CG 4.26Å
48F91.4Very high90.6Very high139 Ų13989.3 Ų89.361%0.6146%0.464SS*.  trans-137.4136.9-176.8-55.9-69.9000109Q46Q46-F48 VanDerWaalsContact C-N 3.31Å; Q46-F48 WeakPolarHBondContact CG-O 3.44Å; Q46-F48 PolarHBondContact O-N 2.91Å
49T91.9Very high90.7Very high30 Ų3085.6 Ų85.618%0.18444%0.44CS..  trans-115.1131.9177174.60000109.5F51 E56T49-F51 WeakPolarHBondContact CG2-O 3.4Å; T49-F51 PolarHBondContact O-N 3.25Å; T49-F51 PolarHBondContact OG1-N 2.86Å; T49-F51 PolarHBondContact OG1-O 2.79Å; T49-E56 HydrophobicContact CG2-CG 3.77Å
50P91.4Very high90.7Very high132 Ų13284.8 Ų84.886%0.85744%0.444SS*.SBendtrans-75.9-5174.132.5-35.4000112.7
51F84.8Confident90.9Very high128 Ų12881 Ų8156%0.56143%0.429SS*.SBendtrans-104131.6-177.3-178.5-124.4000111.5T49 L53 G54T49-F51 WeakPolarHBondContact CG2-O 3.4Å; T49-F51 PolarHBondContact O-N 3.25Å; T49-F51 PolarHBondContact OG1-N 2.86Å; T49-F51 PolarHBondContact OG1-O 2.79Å; F51-L53 HydrophobicContact CD1-CB 4.02Å; F51-L53 HydrophobicContact CE1-CB 3.43Å; F51-L53 VanDerWaalsContact CE1-CB 3.43Å; F51-L53 HydrophobicContact CE1-CD1 4.31Å; F51-L53 HydrophobicContact CE1-CG 4.17Å; F51-L53 HydrophobicContact CZ-CB 3.89Å; F51-L53 HydrophobicContact CZ-CD1 3.98Å; F51-L53 HydrophobicContact CZ-CG 4.11Å; F51-L53 PolarHBondContact O-N 3.12Å; F51-G54 VanDerWaalsContact CD1-N 3.29Å; F51-G54 PolarHBondContact O-N 3.26Å
52S81.7Confident91Very high123 Ų12381.4 Ų81.486%0.8643%0.432SS*.THydrogen-bonded Turntrans-62.7-25-175.9-46.20000114.7
53L78.9Confident91.2Very high131 Ų13178.5 Ų78.569%0.68641%0.407SS*.THydrogen-bonded Turntrans-105.213.6173.9-48.5168.5000112.1F51F51-L53 HydrophobicContact CD1-CB 4.02Å; F51-L53 HydrophobicContact CE1-CB 3.43Å; F51-L53 VanDerWaalsContact CE1-CB 3.43Å; F51-L53 HydrophobicContact CE1-CD1 4.31Å; F51-L53 HydrophobicContact CE1-CG 4.17Å; F51-L53 HydrophobicContact CZ-CB 3.89Å; F51-L53 HydrophobicContact CZ-CD1 3.98Å; F51-L53 HydrophobicContact CZ-CG 4.11Å; F51-L53 PolarHBondContact O-N 3.12Å
54G82Confident91.4Very high23 Ų2377.2 Ų77.224%0.23740%0.4CS..  trans-76.2159.9173.100000110.8F51F51-G54 VanDerWaalsContact CD1-N 3.29Å; F51-G54 PolarHBondContact O-N 3.26Å
55F89.2Confident91.6Very high45 Ų4571 Ų7120%0.19737%0.373CS..  trans-105.3137.8175-73.9-87.1000110.4M8 F24 F57M8-F55 HydrophobicContact CE-CB 4.46Å; M8-F55 HydrophobicContact CE-CD1 3.84Å; M8-F55 HydrophobicContact CE-CE1 4.44Å; M8-F55 HydrophobicContact CE-CG 4.25Å; M8-F55 HydrophobicContact SD-CB 4.21Å; M8-F55 HydrophobicContact SD-CD1 3.34Å; M8-F55 WeakPolarHBondContact SD-CD1 3.27Å; M8-F55 HydrophobicContact SD-CD2 3.97Å; M8-F55 HydrophobicContact SD-CE1 3.61Å; M8-F55 HydrophobicContact SD-CE2 4.21Å; M8-F55 HydrophobicContact SD-CG 3.54Å; M8-F55 VanDerWaalsContact SD-CG 3.54Å; M8-F55 HydrophobicContact SD-CZ 4.05Å; F24-F55 HydrophobicContact CB-CE1 4.46Å; F24-F55 HydrophobicContact CB-CE2 4.35Å; F24-F55 HydrophobicContact CB-CZ 3.58Å; F24-F55 HydrophobicContact CD1-CZ 4.32Å; F24-F55 AromaticContact CD2-CE1 3.9Å; F24-F55 HydrophobicContact CD2-CE1 3.9Å; F24-F55 AromaticContact CD2-CZ 3.82Å; F24-F55 HydrophobicContact CD2-CZ 3.82Å; F24-F55 HydrophobicContact CE2-CE1 4.39Å; F24-F55 HydrophobicContact CG-CE1 4.2Å; F24-F55 AromaticContact CG-CZ 3.65Å; F24-F55 HydrophobicContact CG-CZ 3.65Å; F55-F57 HydrophobicContact CB-CE2 3.87Å; F55-F57 HydrophobicContact CB-CZ 4.09Å
56E93.1Very high91.6Very high81 Ų8166.2 Ų66.238%0.37935%0.352SS..  trans-99.4131.8173.8-63.6-171.3163.900109.9T49 R58T49-E56 HydrophobicContact CG2-CG 3.77Å; E56-R58 IonicContact OE2-CZ 3.29Å; E56-R58 IonicContact OE2-NH2 3.41Å; E56-R58 PolarHBondContact OE2-NH2 3.14Å
57F94.5Very high91.6Very high3 Ų363.9 Ų63.91%0.01334%0.342CS..  trans-111.6128.6-177.8-65.3-89.9000109.7M8 E43 F45 Q46 L47 F55 Y63 V85M8-F57 HydrophobicContact CE-CE1 4.04Å; M8-F57 HydrophobicContact CE-CZ 4.3Å; E43-F57 HydrophobicContact CG-CE2 4.11Å; E43-F57 HydrophobicContact CG-CZ 3.87Å; F45-F57 HydrophobicContact CB-CB 4.26Å; F45-F57 HydrophobicContact CB-CG 4.33Å; F45-F57 HydrophobicContact CD1-CB 4.34Å; F45-F57 AromaticContact CD1-CD1 3.55Å; F45-F57 HydrophobicContact CD1-CD1 3.55Å; F45-F57 HydrophobicContact CD1-CD2 4.1Å; F45-F57 AromaticContact CD1-CE1 3.74Å; F45-F57 HydrophobicContact CD1-CE1 3.74Å; F45-F57 HydrophobicContact CD1-CE2 4.25Å; F45-F57 AromaticContact CD1-CG 3.73Å; F45-F57 HydrophobicContact CD1-CG 3.73Å; F45-F57 HydrophobicContact CD1-CZ 4.08Å; F45-F57 HydrophobicContact CE1-CD1 4.08Å; F45-F57 AromaticContact CE1-CE1 3.84Å; F45-F57 HydrophobicContact CE1-CE1 3.84Å; F45-F57 HydrophobicContact CE1-CZ 4.18Å; Q46-F57 PolarHBondContact O-N 2.73Å; L47-F57 WeakPolarHBondContact CD2-O 3.23Å; F55-F57 HydrophobicContact CB-CE2 3.87Å; F55-F57 HydrophobicContact CB-CZ 4.09Å; F57-Y63 WeakPolarHBondContact CA-OH 3.4Å; F57-Y63 HydrophobicContact CB-CE2 4.29Å; F57-Y63 AromaticContact CD1-CD1 3.89Å; F57-Y63 HydrophobicContact CD1-CD1 3.89Å; F57-Y63 AromaticContact CD1-CD2 3.61Å; F57-Y63 HydrophobicContact CD1-CD2 3.61Å; F57-Y63 AromaticContact CD1-CE1 3.92Å; F57-Y63 HydrophobicContact CD1-CE1 3.92Å; F57-Y63 AromaticContact CD1-CE2 3.66Å; F57-Y63 HydrophobicContact CD1-CE2 3.66Å; F57-Y63 AromaticContact CD1-CG 3.72Å; F57-Y63 HydrophobicContact CD1-CG 3.72Å; F57-Y63 AromaticContact CD1-CZ 3.81Å; F57-Y63 AromaticContact CE1-CD1 3.95Å; F57-Y63 HydrophobicContact CE1-CD1 3.95Å; F57-Y63 HydrophobicContact CE1-CD2 4.14Å; F57-Y63 HydrophobicContact CE1-CE1 4.36Å; F57-Y63 AromaticContact CE1-CG 3.81Å; F57-Y63 HydrophobicContact CE1-CG 3.81Å; F57-Y63 HydrophobicContact CG-CE2 4.44Å; F57-V85 HydrophobicContact CB-CG2 4.32Å; F57-V85 HydrophobicContact CD1-CG2 4.36Å
58R95Very high91.3Very high85 Ų8561.6 Ų61.632%0.32133%0.332SS..  trans-107.6136.2-178.1-61.9-66.3174.4-161.7-11.2109.1L47 E56 H61 Y63L47-R58 PolarHBondContact O-NH1 2.96Å; L47-R58 PolarHBondContact O-NH2 2.96Å; E56-R58 IonicContact OE2-CZ 3.29Å; E56-R58 IonicContact OE2-NH2 3.41Å; E56-R58 PolarHBondContact OE2-NH2 3.14Å; R58-H61 HydrophobicContact CB-CB 4.42Å; R58-H61 WeakPolarHBondContact CB-ND1 3.11Å; R58-H61 WeakPolarHBondContact O-CB 3.45Å; R58-H61 PolarHBondContact O-N 3.25Å; R58-Y63 PolarHBondContact N-OH 3.37Å
59P94.8Very high90.2Very high51 Ų5156 Ų5633%0.33131%0.31SS..THydrogen-bonded Turntrans-62.6149.3174.3-13.825.4000111.1L47 H61 V85 P87L47-P59 HydrophobicContact CD2-CG 4.26Å; P59-H61 PolarHBondContact O-N 3.22Å; P59-H61 PolarHBondContact O-ND1 3.32Å; P59-V85 CarbonylContact C-O 3.56Å; P59-P87 HydrophobicContact CB-CB 4.46Å
60G94.3Very high89Confident35 Ų3558.6 Ų58.636%0.36132%0.32SS..THydrogen-bonded Turntrans74.64.6-174.400000114.7V85G60-V85 PolarHBondContact N-O 3.3Å
61H95.9Very high87.6Confident102 Ų10257.2 Ų57.247%0.47231%0.311SS..  trans-108.3152-178-65.568.9000112.6R58 P59 Y63 V85R58-H61 HydrophobicContact CB-CB 4.42Å; R58-H61 WeakPolarHBondContact CB-ND1 3.11Å; R58-H61 WeakPolarHBondContact O-CB 3.45Å; R58-H61 PolarHBondContact O-N 3.25Å; P59-H61 PolarHBondContact O-N 3.22Å; P59-H61 PolarHBondContact O-ND1 3.32Å; H61-Y63 HydrophobicContact CB-CE2 3.67Å; H61-V85 PolarHBondContact O-N 2.93Å
62E97Very high86.3Confident82 Ų8257.8 Ų57.838%0.38332%0.32SS..EExtended strand (participates in β ladder)trans-105.5136177.4-62.6-179.7151.900110.4Y64 K82 I83 Y84E62-Y64 HydrophobicContact CB-CE2 4.15Å; E62-Y64 WeakPolarHBondContact CB-OH 3.44Å; E62-Y64 PolarHBondContact OE2-OH 3.27Å; E62-K82 WeakPolarHBondContact OE1-CE 3.22Å; E62-K82 IonicContact OE1-NZ 2.67Å; E62-K82 PolarHBondContact OE1-NZ 2.94Å; E62-K82 WeakPolarHBondContact OE2-CE 3.34Å; E62-K82 IonicContact OE2-NZ 2.83Å; E62-K82 PolarHBondContact OE2-NZ 2.85Å; E62-I83 CarbonylContact C-O 3.53Å; E62-I83 VanDerWaalsContact CA-O 3.31Å; E62-I83 WeakPolarHBondContact CA-O 3.4Å; E62-Y84 HydrophobicContact CG-CD2 3.66Å; E62-Y84 HydrophobicContact CG-CE2 4.47Å; E62-Y84 HydrophobicContact CG-CG 4.48Å
63Y96.8Very high85.4Confident32 Ų3254 Ų5413%0.12529%0.29CS..EExtended strand (participates in β ladder)trans-126.7142.8-178.1-62.8-85.6000109.7M8 F57 R58 H61 I83 V85M8-Y63 HydrophobicContact CE-CD1 3.4Å; M8-Y63 HydrophobicContact CE-CE1 4.16Å; M8-Y63 HydrophobicContact CE-CG 4.2Å; F57-Y63 WeakPolarHBondContact CA-OH 3.4Å; F57-Y63 HydrophobicContact CB-CE2 4.29Å; F57-Y63 AromaticContact CD1-CD1 3.89Å; F57-Y63 HydrophobicContact CD1-CD1 3.89Å; F57-Y63 AromaticContact CD1-CD2 3.61Å; F57-Y63 HydrophobicContact CD1-CD2 3.61Å; F57-Y63 AromaticContact CD1-CE1 3.92Å; F57-Y63 HydrophobicContact CD1-CE1 3.92Å; F57-Y63 AromaticContact CD1-CE2 3.66Å; F57-Y63 HydrophobicContact CD1-CE2 3.66Å; F57-Y63 AromaticContact CD1-CG 3.72Å; F57-Y63 HydrophobicContact CD1-CG 3.72Å; F57-Y63 AromaticContact CD1-CZ 3.81Å; F57-Y63 AromaticContact CE1-CD1 3.95Å; F57-Y63 HydrophobicContact CE1-CD1 3.95Å; F57-Y63 HydrophobicContact CE1-CD2 4.14Å; F57-Y63 HydrophobicContact CE1-CE1 4.36Å; F57-Y63 AromaticContact CE1-CG 3.81Å; F57-Y63 HydrophobicContact CE1-CG 3.81Å; F57-Y63 HydrophobicContact CG-CE2 4.44Å; R58-Y63 PolarHBondContact N-OH 3.37Å; H61-Y63 HydrophobicContact CB-CE2 3.67Å; Y63-I83 PolarHBondContact N-O 3.33Å; Y63-I83 PolarHBondContact O-N 3.27Å; Y63-V85 HydrophobicContact CD2-CG2 3.81Å; Y63-V85 HydrophobicContact CE2-CB 4.5Å; Y63-V85 HydrophobicContact CE2-CG2 3.75Å
64Y96.3Very high84.3Confident21 Ų2152.4 Ų52.48%0.08230%0.295CS..EExtended strand (participates in β ladder)trans-126.6135-167.6-53-83.8000111.4M8 V9 Y11 Y14 E62 K82M8-Y64 WeakPolarHBondContact CA-O 3.31Å; V9-Y64 PolarHBondContact N-O 2.95Å; Y11-Y64 HydrophobicContact CD2-CE1 4.02Å; Y11-Y64 HydrophobicContact CD2-CE2 4.27Å; Y11-Y64 AromaticContact CD2-CZ 3.68Å; Y11-Y64 WeakPolarHBondContact CD2-OH 3.35Å; Y14-Y64 AromaticContact CD1-CD1 3.82Å; Y14-Y64 HydrophobicContact CD1-CD1 3.82Å; Y14-Y64 HydrophobicContact CD1-CE1 4.22Å; Y14-Y64 AromaticContact CD2-CD1 3.71Å; Y14-Y64 HydrophobicContact CD2-CD1 3.71Å; Y14-Y64 HydrophobicContact CD2-CG 4.16Å; Y14-Y64 HydrophobicContact CE1-CD1 4.26Å; Y14-Y64 HydrophobicContact CE2-CD1 4.11Å; Y14-Y64 AromaticContact CG-CD1 3.53Å; Y14-Y64 HydrophobicContact CG-CD1 3.53Å; Y14-Y64 HydrophobicContact CG-CE1 4.36Å; Y14-Y64 HydrophobicContact CG-CG 4Å; E62-Y64 HydrophobicContact CB-CE2 4.15Å; E62-Y64 WeakPolarHBondContact CB-OH 3.44Å; E62-Y64 PolarHBondContact OE2-OH 3.27Å; Y64-K82 HydrophobicContact CD1-CB 4.26Å; Y64-K82 HydrophobicContact CD1-CG 4.09Å; Y64-K82 HydrophobicContact CE1-CB 4.39Å; Y64-K82 HydrophobicContact CE1-CD 3.92Å; Y64-K82 HydrophobicContact CE1-CG 3.8Å
65Y96.3Very high83.3Confident12 Ų1255.3 Ų55.35%0.04733%0.325CS..EExtended strand (participates in β ladder)trans-124.6144.3173.6-67-99.4000110Y7 M8 R26 W27 E43 K80 L81 I83Y7-Y65 CarbonylContact O-C 3.56Å; Y7-Y65 VanDerWaalsContact O-CA 3.23Å; Y7-Y65 WeakPolarHBondContact O-CA 3.26Å; M8-Y65 HydrophobicContact CB-CD1 4.09Å; M8-Y65 HydrophobicContact CB-CE1 3.81Å; M8-Y65 HydrophobicContact CG-CE1 4.1Å; M8-Y65 HydrophobicContact CG-CE2 4.46Å; M8-Y65 HydrophobicContact SD-CE1 4.43Å; R26-Y65 HydrophobicContact CB-CE1 4.49Å; R26-Y65 HydrophobicContact CG-CE1 4.22Å; W27-Y65 HydrophobicContact CH2-CE1 4.22Å; W27-Y65 HydrophobicContact CZ3-CD1 4.26Å; W27-Y65 AromaticContact CZ3-CE1 3.74Å; W27-Y65 HydrophobicContact CZ3-CE1 3.74Å; E43-Y65 PolarHBondContact OE2-OH 3.2Å; Y65-K80 CarbonylContact O-C 3.59Å; Y65-K80 VanDerWaalsContact O-CA 3.31Å; Y65-K80 WeakPolarHBondContact O-CA 3.41Å; Y65-L81 PolarHBondContact N-O 3.41Å; Y65-L81 PolarHBondContact O-N 3.1Å; Y65-I83 HydrophobicContact CD2-CD1 3.83Å; Y65-I83 HydrophobicContact CD2-CG1 4.39Å; Y65-I83 HydrophobicContact CE2-CD1 3.58Å; Y65-I83 HydrophobicContact CE2-CG1 4.47Å
66I94.5Very high82.2Confident1 Ų158.4 Ų58.41%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-130.7150.2169.964.1172.1000110.1Y7 V9 Y14 H19 L79 K80Y7-I66 PolarHBondContact N-O 3.04Å; Y7-I66 PolarHBondContact O-N 3.37Å; V9-I66 HydrophobicContact CG1-CD1 3.92Å; V9-I66 HydrophobicContact CG1-CG1 3.88Å; V9-I66 HydrophobicContact CG2-CD1 4.49Å; V9-I66 HydrophobicContact CG2-CG1 4.19Å; V9-I66 HydrophobicContact CG2-CG2 3.97Å; Y14-I66 HydrophobicContact CD2-CG2 4.18Å; H19-I66 HydrophobicContact CB-CD1 4.21Å; I66-L79 CarbonylContact C-O 3.56Å; I66-L79 WeakPolarHBondContact CA-O 3.34Å; I66-K80 HydrophobicContact CG2-CB 4.08Å
67S92.3Very high81.4Confident5 Ų560.2 Ų60.24%0.03536%0.357CS..EExtended strand (participates in β ladder)trans-99.5120.1167.272.70000109.1I5 C78 L79I5-S67 WeakPolarHBondContact O-CA 2.89Å; S67-C78 WeakPolarHBondContact O-CB 3.48Å; S67-L79 PolarHBondContact N-O 3.24Å; S67-L79 WeakPolarHBondContact OG-CB 3.27Å; S67-L79 PolarHBondContact OG-N 2.96Å; S67-L79 PolarHBondContact OG-O 2.96Å
68S84.4Confident81.1Confident33 Ų3360.9 Ų60.923%0.23136%0.362CS..EExtended strand (participates in β ladder)trans-82.1127.5165.1-171.70000108.3I5I5-S68 PolarHBondContact N-O 2.79Å; I5-S68 PolarHBondContact O-N 3.42Å
69P70.1Confident81Confident22 Ų2261.9 Ų61.914%0.14337%0.374CS..EExtended strand (participates in β ladder)trans-56.6144.9163.6-13.426.7000108.8Y4 L73 K76Y4-P69 HydrophobicContact CE1-CB 4.41Å; P69-L73 HydrophobicContact CB-CB 3.42Å; P69-L73 VanDerWaalsContact CB-CB 3.42Å; P69-L73 HydrophobicContact CB-CD1 4.2Å; P69-L73 HydrophobicContact CB-CG 4.46Å; P69-K76 HydrophobicContact CG-CB 4.42Å
70H65.3Low80.9Confident83 Ų8364.8 Ų64.838%0.38438%0.381SS..PPolyproline II helixtrans-51.5148.8168.5-169.471.5000109.9H3 N72 L73H3-H70 HydrophobicContact CB-CB 4.29Å; H3-H70 PolarHBondContact O-N 2.98Å; H70-N72 PolarHBondContact CD2-ND2 2.84Å; H70-N72 PolarHBondContact O-N 2.9Å; H70-L73 WeakPolarHBondContact O-CB 3.41Å; H70-L73 PolarHBondContact O-N 2.88Å
71P62Low81.1Confident103 Ų10367.7 Ų67.767%0.66939%0.388SS*.G310 helixtrans-48.6-28.2-174.2-31.236.8000115.1L73 A74P71-L73 PolarHBondContact O-N 3.36Å; P71-A74 PolarHBondContact O-N 2.82Å
72N59.2Low81.1Confident140 Ų14067.4 Ų67.475%0.74939%0.385SS*.G310 helixtrans-70.8-3.8176.8-57.9-20.3000115H70H70-N72 PolarHBondContact CD2-ND2 2.84Å; H70-N72 PolarHBondContact O-N 2.9Å
73L61Low81.2Confident45 Ų4565.1 Ų65.124%0.23638%0.375CS..G310 helixtrans-117.321.7-178.6-72.5160.4000112.1P69 H70 P71 G75 K76P69-L73 HydrophobicContact CB-CB 3.42Å; P69-L73 VanDerWaalsContact CB-CB 3.42Å; P69-L73 HydrophobicContact CB-CD1 4.2Å; P69-L73 HydrophobicContact CB-CG 4.46Å; H70-L73 WeakPolarHBondContact O-CB 3.41Å; H70-L73 PolarHBondContact O-N 2.88Å; P71-L73 PolarHBondContact O-N 3.36Å; L73-G75 PolarHBondContact O-N 2.57Å; L73-K76 HydrophobicContact CD2-CD 4.18Å; L73-K76 PolarHBondContact O-N 3.34Å
74A56.8Low81.2Confident96 Ų9669.5 Ų69.579%0.79339%0.392SS*.THydrogen-bonded Turntrans-50.2127.2178.900000111.7P71P71-A74 PolarHBondContact O-N 2.82Å
75G59.9Low81.1Confident85 Ų8569.8 Ų69.888%0.87640%0.396SS*.THydrogen-bonded Turntrans107.6-10.4177.800000116.2L73L73-G75 PolarHBondContact O-N 2.57Å
76K66.8Low81Confident109 Ų10976.9 Ų76.947%0.47443%0.427SS..SBendtrans-76.7144.2171.7-70-169.4177.3-172.20111.7P69 L73 C78P69-K76 HydrophobicContact CG-CB 4.42Å; L73-K76 HydrophobicContact CD2-CD 4.18Å; L73-K76 PolarHBondContact O-N 3.34Å; K76-C78 PolarHBondContact O-N 2.75Å
77P77.1Confident80.7Confident119 Ų11979.2 Ų79.277%0.77344%0.443SS*.PPolyproline II helixtrans-61.2136.4172.826.9-33.7000109.7
78C88.1Confident80Confident18 Ų1883.5 Ų83.512%0.12247%0.473CS..PPolyproline II helixtrans-67.7141.5178.181.30000110.6C17 S67 K76C17-C78 VanDerWaalsContact CA-SG 3.55Å; C17-C78 HydrophobicContact CB-CB 3.6Å; C17-C78 WeakPolarHBondContact CB-SG 3.43Å; C17-C78 WeakPolarHBondContact SG-CB 3.45Å; C17-C78 CovalentContact SG-SG 2.03Å; C17-C78 PolarHBondContact SG-SG 3.25Å; S67-C78 WeakPolarHBondContact O-CB 3.48Å; K76-C78 PolarHBondContact O-N 2.75Å
79L92Very high79.5Confident106 Ų10687.9 Ų87.956%0.55549%0.493SS*.EExtended strand (participates in β ladder)trans-75.1144.4164-48.4171.6000108.2I66 S67I66-L79 CarbonylContact C-O 3.56Å; I66-L79 WeakPolarHBondContact CA-O 3.34Å; S67-L79 PolarHBondContact N-O 3.24Å; S67-L79 WeakPolarHBondContact OG-CB 3.27Å; S67-L79 PolarHBondContact OG-N 2.96Å; S67-L79 PolarHBondContact OG-O 2.96Å
80K94Very high79.1Confident111 Ų11195.3 Ų95.348%0.48353%0.532SS..EExtended strand (participates in β ladder)trans-144.2145.7-172.969.6-174.8-175.9177.70111.2Y14 Y65 I66Y14-K80 HydrophobicContact CD2-CB 3.97Å; Y14-K80 HydrophobicContact CD2-CD 4.39Å; Y14-K80 HydrophobicContact CD2-CG 4.5Å; Y14-K80 HydrophobicContact CE1-CD 4.05Å; Y14-K80 HydrophobicContact CE2-CB 3.48Å; Y14-K80 VanDerWaalsContact CE2-CB 3.48Å; Y14-K80 HydrophobicContact CE2-CD 3.78Å; Y14-K80 HydrophobicContact CE2-CG 3.67Å; Y65-K80 CarbonylContact O-C 3.59Å; Y65-K80 VanDerWaalsContact O-CA 3.31Å; Y65-K80 WeakPolarHBondContact O-CA 3.41Å; I66-K80 HydrophobicContact CG2-CB 4.08Å
81L96.9Very high78.8Confident97 Ų9795.7 Ų95.751%0.50854%0.544SS..EExtended strand (participates in β ladder)trans-132.3129179.7174.367.1000109Y65 I83Y65-L81 PolarHBondContact N-O 3.41Å; Y65-L81 PolarHBondContact O-N 3.1Å; L81-I83 HydrophobicContact CD2-CD1 3.94Å; L81-I83 HydrophobicContact CD2-CG1 4.05Å; L81-I83 HydrophobicContact CG-CD1 4.36Å; L81-I83 HydrophobicContact CG-CG1 3.93Å
82K97.5Very high78.4Confident95 Ų9597.6 Ų97.641%0.41355%0.547SS..EExtended strand (participates in β ladder)trans-108.7130.2172176.1179.2176.1172.70108Y14 E62 Y64Y14-K82 HydrophobicContact CE2-CB 4.35Å; E62-K82 WeakPolarHBondContact OE1-CE 3.22Å; E62-K82 IonicContact OE1-NZ 2.67Å; E62-K82 PolarHBondContact OE1-NZ 2.94Å; E62-K82 WeakPolarHBondContact OE2-CE 3.34Å; E62-K82 IonicContact OE2-NZ 2.83Å; E62-K82 PolarHBondContact OE2-NZ 2.85Å; Y64-K82 HydrophobicContact CD1-CB 4.26Å; Y64-K82 HydrophobicContact CD1-CG 4.09Å; Y64-K82 HydrophobicContact CE1-CB 4.39Å; Y64-K82 HydrophobicContact CE1-CD 3.92Å; Y64-K82 HydrophobicContact CE1-CG 3.8Å
83I97.4Very high78.2Confident34 Ų34100.5 Ų100.517%0.17455%0.549CS..EExtended strand (participates in β ladder)trans-119.6124.2-179.7-52.5-177.5000107.5F45 E62 Y63 Y65 L81F45-I83 HydrophobicContact CE1-CD1 4.01Å; F45-I83 HydrophobicContact CE1-CG2 3.71Å; F45-I83 HydrophobicContact CZ-CD1 3.88Å; F45-I83 HydrophobicContact CZ-CG2 3.79Å; E62-I83 CarbonylContact C-O 3.53Å; E62-I83 VanDerWaalsContact CA-O 3.31Å; E62-I83 WeakPolarHBondContact CA-O 3.4Å; Y63-I83 PolarHBondContact N-O 3.33Å; Y63-I83 PolarHBondContact O-N 3.27Å; Y65-I83 HydrophobicContact CD2-CD1 3.83Å; Y65-I83 HydrophobicContact CD2-CG1 4.39Å; Y65-I83 HydrophobicContact CE2-CD1 3.58Å; Y65-I83 HydrophobicContact CE2-CG1 4.47Å; L81-I83 HydrophobicContact CD2-CD1 3.94Å; L81-I83 HydrophobicContact CD2-CG1 4.05Å; L81-I83 HydrophobicContact CG-CD1 4.36Å; L81-I83 HydrophobicContact CG-CG1 3.93Å
84Y96.8Very high77.9Confident125 Ų125106.6 Ų106.649%0.4958%0.576SS.*EExtended strand (participates in β ladder)trans-107120.8171.5175.7-115.2000109E62 K86 P87E62-Y84 HydrophobicContact CG-CD2 3.66Å; E62-Y84 HydrophobicContact CG-CE2 4.47Å; E62-Y84 HydrophobicContact CG-CG 4.48Å; Y84-K86 HydrophobicContact CE1-CB 4.49Å; Y84-K86 PolarHBondContact O-N 2.89Å; Y84-P87 WeakPolarHBondContact OH-CD 3.37Å
85V95.6Very high77.9Confident26 Ų26105.8 Ų105.816%0.15856%0.564CS.*  trans-86.1103.6176.7-177.40000107.5F45 F57 P59 G60 H61 Y63F45-V85 HydrophobicContact CD1-CG2 4.2Å; F57-V85 HydrophobicContact CB-CG2 4.32Å; F57-V85 HydrophobicContact CD1-CG2 4.36Å; P59-V85 CarbonylContact C-O 3.56Å; G60-V85 PolarHBondContact N-O 3.3Å; H61-V85 PolarHBondContact O-N 2.93Å; Y63-V85 HydrophobicContact CD2-CG2 3.81Å; Y63-V85 HydrophobicContact CE2-CB 4.5Å; Y63-V85 HydrophobicContact CE2-CG2 3.75Å
86K92.6Very high77.9Confident162 Ų162106.2 Ų106.270%0.70455%0.552SS**  trans-59.6134.1-179.1-169.1-174.4173.6-175.50110.4Y84Y84-K86 HydrophobicContact CE1-CB 4.49Å; Y84-K86 PolarHBondContact O-N 2.89Å
87P88.4Confident77.2Confident50 Ų50109.2 Ų109.233%0.32557%0.568SS.*  trans-54.5137.4166.4-23.533000111.5P59 Y84 N89P59-P87 HydrophobicContact CB-CB 4.46Å; Y84-P87 WeakPolarHBondContact OH-CD 3.37Å; P87-N89 PolarHBondContact O-N 3Å
88S77.4Confident75.9Confident95 Ų95108.5 Ų108.566%0.66456%0.563SS**  trans-66.8114159.6-34.60000106.1D90S88-D90 PolarHBondContact O-N 3.42Å
89N74Confident73.8Confident125 Ų125117.4 Ų117.467%0.66860%0.6SS**  trans-61.4135.1157.4-76.2-4.2000105.4P87 S91P87-N89 PolarHBondContact O-N 3Å; N89-S91 PolarHBondContact O-N 3.48Å
90D62.8Low71.8Confident178 Ų178119.8 Ų119.895%0.95261%0.613SS**SBendtrans-56.910.1-171.8-76-37.7000116S88S88-D90 PolarHBondContact O-N 3.42Å
91S57.8Low69.6Low91 Ų91120.3 Ų120.364%0.63663%0.625SS**SBendtrans-132.543.8-167.273.20000114.2N89N89-S91 PolarHBondContact O-N 3.48Å
92I54Low67Low143 Ų143122.4 Ų122.473%0.73364%0.637SS**  trans164.2114148.3-83.3146.6000107.6E94I92-E94 VanDerWaalsContact C-N 3.27Å; I92-E94 HydrophobicContact CG2-CB 4.25Å; I92-E94 PolarHBondContact O-N 2.89Å
93Y54.8Low64.4Low200 Ų200124.9 Ų124.978%0.78466%0.655SS**  trans-65.195.4157.2-176.5-93.2000106.5S95Y93-S95 VanDerWaalsContact C-N 3.32Å; Y93-S95 PolarHBondContact O-N 3.13Å
94E55.5Low62Low173 Ų173128.8 Ų128.881%0.80868%0.68SS**  trans-73.697.4168.4-159.2161.6-159.400105.3I92I92-E94 VanDerWaalsContact C-N 3.27Å; I92-E94 HydrophobicContact CG2-CB 4.25Å; I92-E94 PolarHBondContact O-N 2.89Å
95S56.5Low59.2Low79 Ų79129.1 Ų129.155%0.55270%0.695SS**PPolyproline II helixtrans-51.2131.6175.1-1800000107.6Y93 E97Y93-S95 VanDerWaalsContact C-N 3.32Å; Y93-S95 PolarHBondContact O-N 3.13Å; S95-E97 PolarHBondContact O-N 3.36Å
96P60.3Low56.3Low95 Ų95131.4 Ų131.462%0.61772%0.724SS**PPolyproline II helixtrans-54.6117.8176.5-20.130000107.8
97E51.6Low53.7Low172 Ų172127.9 Ų127.980%0.80473%0.734SS**PPolyproline II helixtrans-54.6129.5168.1-78.2-170.8147.200106.7S95 F99S95-E97 PolarHBondContact O-N 3.36Å; E97-F99 PolarHBondContact O-N 3.34Å; E97-F99 VanDerWaalsContact O-N 3.1Å
98P49.5Very low51.1Low104 Ų104129.2 Ų129.268%0.67576%0.757SS**PPolyproline II helixtrans-57.7124.1170.823.6-29.6000106.8L100P98-L100 PolarHBondContact O-N 2.79Å
99F44Very low49.7Very low205 Ų205130.2 Ų130.290%0.89976%0.764SS**  trans-60.790.6167.8-72.5-86.3000107.1E97 T101E97-F99 PolarHBondContact O-N 3.34Å; E97-F99 VanDerWaalsContact O-N 3.1Å; F99-T101 PolarHBondContact O-N 2.75Å; F99-T101 VanDerWaalsContact O-N 3.14Å
100L50.5Low48.3Very low156 Ų156131.5 Ų131.582%0.81777%0.77SS**  trans-62.4115.1166.6-68.8176.9000105.4P98 D102P98-L100 PolarHBondContact O-N 2.79Å; L100-D102 PolarHBondContact O-N 3.25Å
101T47.6Very low47.7Very low122 Ų122127.8 Ų127.875%0.74876%0.764SS**  trans-55.7123.6167.442.90000107.8F99 D103F99-T101 PolarHBondContact O-N 2.75Å; F99-T101 VanDerWaalsContact O-N 3.14Å; T101-D103 PolarHBondContact O-N 3.29Å
102D41.8Very low47.5Very low140 Ų140130.5 Ų130.575%0.74977%0.77SS**  trans-63.593.4176.8-167.21.9000109.4L100 T104L100-D102 PolarHBondContact O-N 3.25Å; D102-T104 PolarHBondContact O-N 2.66Å; D102-T104 PolarHBondContact OD1-OG1 3.43Å
103D42.8Very low47.4Very low147 Ų147127.4 Ų127.479%0.78676%0.76SS**  trans-88.182.7162.7-87-30.6000108T101 T105T101-D103 PolarHBondContact O-N 3.29Å; D103-T105 VanDerWaalsContact C-N 3.25Å; D103-T105 PolarHBondContact O-N 3.08Å
104T48Very low47.6Very low116 Ų116122.2 Ų122.271%0.71275%0.753SS**  trans-65.590.9158.2-72.80000108D102D102-T104 PolarHBondContact O-N 2.66Å; D102-T104 PolarHBondContact OD1-OG1 3.43Å
105T38.1Very low47.8Very low132 Ų132117.2 Ų117.281%0.8174%0.741SS**  trans-154.999.7152.6-62.40000110D103D103-T105 VanDerWaalsContact C-N 3.25Å; D103-T105 PolarHBondContact O-N 3.08Å
106G34.7Very low48Very low74 Ų74119.7 Ų119.776%0.76375%0.745SS**  trans72.892.1138.700000118.9
107G38.1Very low48.3Very low89 Ų89121.4 Ų121.492%0.91875%0.749SS**  38.2116.1125.900000119.8
108G33.6Very low49.1Very low77 Ų77118.9 Ų118.979%0.79474%0.74SS**  trans168.791.7161.400000113.2
109S47.3Very low50.2Low117 Ų117116.5 Ų116.582%0.81873%0.726SS**  trans-45.2150.1161.1-51.10000111.8
110L44.8Very low51.7Low152 Ų152111.6 Ų111.680%0.79671%0.709SS**  trans140.973.8147.2-71.4172.3000110.6L112L110-L112 PolarHBondContact O-N 2.73Å
111A49.8Very low52.9Low100 Ų100109.3 Ų109.383%0.82670%0.697SS**  trans-63.995151.500000107P113A111-P113 WeakPolarHBondContact O-CD 3.34Å
112L53.5Low54.4Low147 Ų147108.8 Ų108.877%0.7769%0.689SS**  trans-58.9121.3166.5-91.9110.6000107.6L110 S114L110-L112 PolarHBondContact O-N 2.73Å; L112-S114 PolarHBondContact O-N 2.97Å
113P52.3Low56.3Low79 Ų79107.4 Ų107.451%0.51368%0.68SS.*  trans-73.8121-177.529.1-30.2000107.9A111 A115 M116A111-P113 WeakPolarHBondContact O-CD 3.34Å; P113-A115 HydrophobicContact CB-CB 4.48Å; P113-A115 PolarHBondContact O-N 3.46Å; P113-M116 HydrophobicContact CG-CG 4.1Å; P113-M116 PolarHBondContact O-N 3.41Å
114S59.4Low57.9Low90 Ų90105.7 Ų105.763%0.62967%0.67SS**Hα-helixtrans-41.6-25.2170.5173.30000113.6L112 M116 L117 L118L112-S114 PolarHBondContact O-N 2.97Å; S114-M116 PolarHBondContact O-N 3.1Å; S114-L117 PolarHBondContact O-N 3.04Å; S114-L118 PolarHBondContact O-N 3.12Å
115A59.1Low59.3Low68 Ų68105 Ų10556%0.56266%0.662SS**Hα-helixtrans-58.1-37173.800000115P113 L117 L118 S119P113-A115 HydrophobicContact CB-CB 4.48Å; P113-A115 PolarHBondContact O-N 3.46Å; A115-L117 VanDerWaalsContact C-N 3.33Å; A115-L117 PolarHBondContact O-N 3.06Å; A115-L118 PolarHBondContact O-N 3.42Å; A115-S119 PolarHBondContact O-N 3.11Å; A115-S119 PolarHBondContact O-OG 2.99Å
116M62.3Low61.1Low131 Ų131104.8 Ų104.865%0.64566%0.655SS**Hα-helixtrans-69.8-32.6-179.4-69-66.1-148.900112.3P113 S114 S119 L120P113-M116 HydrophobicContact CG-CG 4.1Å; P113-M116 PolarHBondContact O-N 3.41Å; S114-M116 PolarHBondContact O-N 3.1Å; M116-S119 WeakPolarHBondContact CA-OG 3.41Å; M116-S119 PolarHBondContact O-OG 3.46Å; M116-L120 WeakPolarHBondContact O-CB 3.09Å; M116-L120 PolarHBondContact O-N 3.46Å; M116-L120 VanDerWaalsContact O-N 3.13Å
117L65.4Low62.8Low131 Ų131105.4 Ų105.469%0.68665%0.653SS**Hα-helixtrans-72-39.8177.9-143.282.7000110.7S114 A115 L120 L121S114-L117 PolarHBondContact O-N 3.04Å; A115-L117 VanDerWaalsContact C-N 3.33Å; A115-L117 PolarHBondContact O-N 3.06Å; L117-L120 PolarHBondContact O-N 3.39Å; L117-L121 PolarHBondContact O-N 3.48Å
118L69.4Low64.2Low119 Ų119105.6 Ų105.662%0.62364%0.64SS**Hα-helixtrans-65.2-41.4174.9-96.3137.9000112.3S114 A115 L121 L122S114-L118 PolarHBondContact O-N 3.12Å; A115-L118 PolarHBondContact O-N 3.42Å; L118-L121 PolarHBondContact O-N 3.06Å; L118-L122 PolarHBondContact O-N 3.39Å; L118-L122 VanDerWaalsContact O-N 3.12Å
119S72.3Confident65.5Low54 Ų54109.9 Ų109.938%0.37866%0.658SS.*Hα-helixtrans-65.6-39.4175.856.50000112.2A115 M116 L122 I123A115-S119 PolarHBondContact O-N 3.11Å; A115-S119 PolarHBondContact O-OG 2.99Å; M116-S119 WeakPolarHBondContact CA-OG 3.41Å; M116-S119 PolarHBondContact O-OG 3.46Å; S119-L122 PolarHBondContact O-N 3.09Å; S119-I123 WeakPolarHBondContact O-CD1 3.4Å; S119-I123 VanDerWaalsContact O-CG1 3.27Å; S119-I123 WeakPolarHBondContact O-CG1 3.48Å; S119-I123 PolarHBondContact O-N 3.47Å; S119-I123 VanDerWaalsContact O-N 3.11Å
120L74.7Confident66.4Low103 Ų103109.5 Ų109.554%0.53965%0.65SS.*Hα-helixtrans-66.7-40.2178.7-167.470.9000111.6M116 L117 L122 I123 L124M116-L120 WeakPolarHBondContact O-CB 3.09Å; M116-L120 PolarHBondContact O-N 3.46Å; M116-L120 VanDerWaalsContact O-N 3.13Å; L117-L120 PolarHBondContact O-N 3.39Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-L122 PolarHBondContact O-N 3.31Å; L120-I123 PolarHBondContact O-N 3.21Å; L120-L124 HydrophobicContact CG-CD1 4.26Å; L120-L124 WeakPolarHBondContact O-CD1 3.44Å; L120-L124 WeakPolarHBondContact O-CG 3.41Å; L120-L124 PolarHBondContact O-N 3.45Å; L120-L124 VanDerWaalsContact O-N 3.09Å
121L76.4Confident67.5Low108 Ų108107.3 Ų107.357%0.56564%0.642SS**Hα-helixtrans-62.8-41.1176.5-136.490.1000111.9L117 L118 L124 L125L117-L121 PolarHBondContact O-N 3.48Å; L118-L121 PolarHBondContact O-N 3.06Å; L121-L124 PolarHBondContact O-N 3.39Å; L121-L125 WeakPolarHBondContact O-CD1 3.47Å; L121-L125 WeakPolarHBondContact O-CG 3.41Å; L121-L125 PolarHBondContact O-N 2.87Å
122L78.8Confident68.5Low111 Ų111107.7 Ų107.758%0.58163%0.632SS**Hα-helixtrans-66.9-38.8-180-158.678.2000111.9L118 S119 L120 L125 L126L118-L122 PolarHBondContact O-N 3.39Å; L118-L122 VanDerWaalsContact O-N 3.12Å; S119-L122 PolarHBondContact O-N 3.09Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-L122 PolarHBondContact O-N 3.31Å; L122-L125 PolarHBondContact O-N 3.5Å; L122-L126 HydrophobicContact CG-CD1 4.49Å; L122-L126 WeakPolarHBondContact O-CG 3.42Å; L122-L126 PolarHBondContact O-N 2.89Å; L122-L126 VanDerWaalsContact O-N 3.1Å
123I80.6Confident69.4Low110 Ų110105.4 Ų105.456%0.56462%0.624SS**Hα-helixtrans-66.1-41.5176.4-66.9163.5000110.9S119 L120 L126 A127S119-I123 WeakPolarHBondContact O-CD1 3.4Å; S119-I123 VanDerWaalsContact O-CG1 3.27Å; S119-I123 WeakPolarHBondContact O-CG1 3.48Å; S119-I123 PolarHBondContact O-N 3.47Å; S119-I123 VanDerWaalsContact O-N 3.11Å; L120-I123 PolarHBondContact O-N 3.21Å; I123-L126 PolarHBondContact O-N 2.8Å; I123-A127 WeakPolarHBondContact O-CB 3.49Å; I123-A127 PolarHBondContact O-N 3.42Å
124L76.4Confident70.5Confident111 Ų111107 Ų10758%0.58163%0.631SS**Hα-helixtrans-64.6-38.8177.6-76.6160.7000112.4L120 L121 A127 S128L120-L124 HydrophobicContact CG-CD1 4.26Å; L120-L124 WeakPolarHBondContact O-CD1 3.44Å; L120-L124 WeakPolarHBondContact O-CG 3.41Å; L120-L124 PolarHBondContact O-N 3.45Å; L120-L124 VanDerWaalsContact O-N 3.09Å; L121-L124 PolarHBondContact O-N 3.39Å; L124-A127 PolarHBondContact O-N 2.8Å; L124-S128 PolarHBondContact O-N 3.39Å; L124-S128 PolarHBondContact O-OG 3.2Å
125L77.8Confident71.2Confident102 Ų102108.1 Ų108.153%0.53463%0.631SS.*Hα-helixtrans-64.2-45.2175.8-79.5156.4000111.6L121 L122 A127 S128L121-L125 WeakPolarHBondContact O-CD1 3.47Å; L121-L125 WeakPolarHBondContact O-CG 3.41Å; L121-L125 PolarHBondContact O-N 2.87Å; L122-L125 PolarHBondContact O-N 3.5Å; L125-A127 VanDerWaalsContact C-N 3.33Å; L125-A127 PolarHBondContact O-N 3.38Å; L125-S128 PolarHBondContact O-N 3.22Å; L125-S128 PolarHBondContact O-OG 3.32Å
126L75.6Confident72.1Confident127 Ų127111 Ų11167%0.66564%0.636SS**Hα-helixtrans-66.9-32178-73.5164.4000113.1L122 I123 S128L122-L126 HydrophobicContact CG-CD1 4.49Å; L122-L126 WeakPolarHBondContact O-CG 3.42Å; L122-L126 PolarHBondContact O-N 2.89Å; L122-L126 VanDerWaalsContact O-N 3.1Å; I123-L126 PolarHBondContact O-N 2.8Å; L126-S128 PolarHBondContact O-N 3.35Å
127A71.9Confident72.8Confident88 Ų88109.5 Ų109.573%0.72764%0.635SS**THydrogen-bonded Turntrans-76.2-10.2176.700000113.9I123 L124 L125I123-A127 WeakPolarHBondContact O-CB 3.49Å; I123-A127 PolarHBondContact O-N 3.42Å; L124-A127 PolarHBondContact O-N 2.8Å; L125-A127 VanDerWaalsContact C-N 3.33Å; L125-A127 PolarHBondContact O-N 3.38Å
128S66.5Low73.4Confident93 Ų93107.7 Ų107.765%0.6563%0.631SS**THydrogen-bonded Turntrans-101.54.3-179.466.90000114.2L124 L125 L126L124-S128 PolarHBondContact O-N 3.39Å; L124-S128 PolarHBondContact O-OG 3.2Å; L125-S128 PolarHBondContact O-N 3.22Å; L125-S128 PolarHBondContact O-OG 3.32Å; L126-S128 PolarHBondContact O-N 3.35Å
129S60.8Low73.8Confident166 Ų166106.6 Ų106.6100%1.16163%0.631SS**  trans-102.10174.8-58.60000112.3

Retrieved 129 of 129 residues in 141.7 ms (Link to these results)

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