A0A096MRB1_PAPAN Loading...

WD repeat-containing protein 74

Regulatory protein of the MTREX-exosome complex involved in the synthesis of the 60S ribosomal subunit. Participates in an early cleavage of the pre-rRNA processing pathway in cooperation with NVL. Required for blastocyst formation, is necessary for RNA transcription, processing and/or stability during preimplantation development.

AlphaFold DB , UniProt , Accession A0A096MRB1, Species PAPAN (Papio anubis, Olive baboon), Gene WDR74, Length 385 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
1M42.8Very low62.4Low218 Ų21858.3 Ų58.3100%1.07432%0.322SS*.  0-48.20-82.4-164-118.500113.9A5M1-A5 PolarHBondContact O-N 2.81Å
2A42.3Very low64.8Low61 Ų6153.7 Ų53.750%0.50430%0.296SS..Hα-helixtrans-68.2-36.6-18000000114.5A5 A6A2-A5 PolarHBondContact O-N 3.07Å; A2-A6 PolarHBondContact O-N 3.26Å; A2-A6 VanDerWaalsContact O-N 3.14Å
3A45.3Very low66.9Low42 Ų4249.5 Ų49.535%0.34727%0.273SS..Hα-helixtrans-62.4-46.2177.200000112.9A5 A6 R7 D74A3-A5 VanDerWaalsContact C-N 3.33Å; A3-A5 PolarHBondContact O-N 3.31Å; A3-A6 PolarHBondContact O-N 3.21Å; A3-R7 PolarHBondContact O-N 3.34Å; A3-D74 VanDerWaalsContact CA-O 3.28Å; A3-D74 WeakPolarHBondContact CA-O 3.4Å; A3-D74 WeakPolarHBondContact CB-O 3.46Å
4A49.7Very low68.7Low42 Ų4246 Ų4635%0.34725%0.254SS..Hα-helixtrans-58.2-45.3175.300000111.2A6 R7 W8A4-A6 VanDerWaalsContact C-N 3.3Å; A4-A6 PolarHBondContact O-N 2.81Å; A4-R7 PolarHBondContact O-N 3.25Å; A4-W8 VanDerWaalsContact C-CZ3 3.45Å; A4-W8 HydrophobicContact CB-CH2 3.7Å; A4-W8 HydrophobicContact CB-CZ3 3.62Å; A4-W8 WeakPolarHBondContact O-CZ3 3.34Å
5A58.1Low70.2Confident41 Ų4142.9 Ų42.934%0.33924%0.237SC..Hα-helixtrans-65.8-26.5178.900000114.2M1 A2 A3 N9M1-A5 PolarHBondContact O-N 2.81Å; A2-A5 PolarHBondContact O-N 3.07Å; A3-A5 VanDerWaalsContact C-N 3.33Å; A3-A5 PolarHBondContact O-N 3.31Å; A5-N9 PolarHBondContact O-ND2 2.84Å; A5-N9 PolarHBondContact O-OD1 3.43Å
6A61.8Low71.3Confident1 Ų143.9 Ų43.91%0.00824%0.239CC..Hα-helixtrans-74.8-40179.400000112.4A2 A3 A4 W8 N9 W12 F33 T72 G75A2-A6 PolarHBondContact O-N 3.26Å; A2-A6 VanDerWaalsContact O-N 3.14Å; A3-A6 PolarHBondContact O-N 3.21Å; A4-A6 VanDerWaalsContact C-N 3.3Å; A4-A6 PolarHBondContact O-N 2.81Å; A6-W8 VanDerWaalsContact C-N 3.3Å; A6-W8 PolarHBondContact O-N 3.07Å; A6-N9 PolarHBondContact O-N 2.79Å; A6-W12 HydrophobicContact CB-CH2 4.06Å; A6-W12 VanDerWaalsContact O-CZ2 3.31Å; A6-W12 WeakPolarHBondContact O-CZ2 3.47Å; A6-F33 HydrophobicContact CB-CE1 4.08Å; A6-F33 HydrophobicContact CB-CZ 3.83Å; A6-T72 CarbonylContact C-O 3.33Å; A6-T72 VanDerWaalsContact CB-O 3.25Å; A6-T72 WeakPolarHBondContact CB-O 3.35Å; A6-G75 VanDerWaalsContact CB-CA 3.41Å
7R64.7Low72.2Confident150 Ų15043.5 Ų43.557%0.56624%0.238SC*.Hα-helixtrans-64.1-29.4-174.8-175.8175.3172.1164.2-1.4114.3A3 A4 T72 R322A3-R7 PolarHBondContact O-N 3.34Å; A4-R7 PolarHBondContact O-N 3.25Å; R7-T72 PolarHBondContact N-O 2.95Å; R7-R322 PolarHBondContact O-NH1 2.77Å
8W70.4Confident72.9Confident63 Ų6341.8 Ų41.824%0.23923%0.233CC..THydrogen-bonded Turntrans-102.213-179.9-53.4-60.7000114.1A4 A6 N24 E328A4-W8 VanDerWaalsContact C-CZ3 3.45Å; A4-W8 HydrophobicContact CB-CH2 3.7Å; A4-W8 HydrophobicContact CB-CZ3 3.62Å; A4-W8 WeakPolarHBondContact O-CZ3 3.34Å; A6-W8 VanDerWaalsContact C-N 3.3Å; A6-W8 PolarHBondContact O-N 3.07Å; W8-N24 PolarHBondContact O-ND2 3.37Å; W8-E328 HydrophobicContact CD2-CG 3.6Å; W8-E328 HydrophobicContact CE3-CG 3.8Å; W8-E328 HydrophobicContact CG-CG 4.43Å; W8-E328 HydrophobicContact CH2-CG 3.51Å; W8-E328 WeakPolarHBondContact CH2-OE1 3.38Å; W8-E328 WeakPolarHBondContact CH2-OE2 3.22Å; W8-E328 HydrophobicContact CZ2-CG 3.16Å; W8-E328 WeakPolarHBondContact CZ2-OE1 3.05Å; W8-E328 HydrophobicContact CZ3-CG 3.74Å; W8-E328 VanDerWaalsContact CZ3-OE1 3.29Å; W8-E328 WeakPolarHBondContact CZ3-OE1 3.3Å; W8-E328 WeakPolarHBondContact CZ3-OE2 3.28Å
9N80.8Confident73.7Confident10 Ų1040.6 Ų40.65%0.05323%0.225CC..  trans-79127.5172.8-69.8-36.3000110.2A5 A6 W12 G22 N24A5-N9 PolarHBondContact O-ND2 2.84Å; A5-N9 PolarHBondContact O-OD1 3.43Å; A6-N9 PolarHBondContact O-N 2.79Å; N9-W12 HydrophobicContact CB-CH2 4.1Å; N9-W12 HydrophobicContact CB-CZ2 3.65Å; N9-G22 WeakPolarHBondContact ND2-CA 3.17Å; N9-N24 PolarHBondContact OD1-N 2.92Å
10H82.3Confident74.6Confident13 Ų1338.7 Ų38.76%0.0621%0.214CC..  trans-92.6-27.9-179.7-54.2-54000112.1V23 L25 S320 W325H10-V23 PolarHBondContact N-O 2.93Å; H10-L25 HydrophobicContact CB-CD1 3.87Å; H10-L25 HydrophobicContact CB-CG 4.13Å; H10-S320 WeakPolarHBondContact O-CB 3.09Å; H10-S320 PolarHBondContact O-N 3.36Å; H10-W325 AromaticContact CE1-CD1 3.53Å; H10-W325 AromaticContact CE1-CG 3.82Å; H10-W325 AromaticContact CG-NE1 3.9Å; H10-W325 AromaticContact ND1-CD1 3.49Å; H10-W325 AromaticContact ND1-NE1 3.77Å; H10-W325 AromaticContact NE2-CG 3.98Å
11V88.9Confident75.3Confident0 Ų037.2 Ų37.20%021%0.206CC..EExtended strand (participates in β ladder)trans-128129.6-178.9-173.40000110.2V13 G22 V23 L25 L293 I295 L317 L319V11-V13 HydrophobicContact CG1-CG2 3.96Å; V11-G22 CarbonylContact O-C 3.28Å; V11-V23 HydrophobicContact CB-CB 4.42Å; V11-V23 PolarHBondContact N-O 2.78Å; V11-V23 VanDerWaalsContact N-O 3.17Å; V11-V23 PolarHBondContact O-N 2.75Å; V11-L25 HydrophobicContact CG2-CD1 4.04Å; V11-L25 HydrophobicContact CG2-CD2 4.2Å; V11-L25 HydrophobicContact CG2-CG 4.3Å; V11-L293 HydrophobicContact CB-CD2 3.97Å; V11-L293 HydrophobicContact CG1-CD1 4.05Å; V11-L293 HydrophobicContact CG1-CD2 3.75Å; V11-L293 HydrophobicContact CG2-CD2 4.42Å; V11-I295 HydrophobicContact CG2-CD1 4.13Å; V11-L317 HydrophobicContact CG1-CD1 4.03Å; V11-L317 HydrophobicContact CG1-CD2 3.92Å; V11-L317 HydrophobicContact CG1-CG 3.85Å; V11-L319 HydrophobicContact CG2-CD1 3.9Å; V11-L319 HydrophobicContact CG2-CG 4.2Å
12W91.1Very high77.5Confident3 Ų326.8 Ų26.81%0.01116%0.155CC..EExtended strand (participates in β ladder)trans-109.8135.7174.9-60.892.6000109.6A6 N9 L20 K21 F33 W50 I58 F70 T72 L317 L318A6-W12 HydrophobicContact CB-CH2 4.06Å; A6-W12 VanDerWaalsContact O-CZ2 3.31Å; A6-W12 WeakPolarHBondContact O-CZ2 3.47Å; N9-W12 HydrophobicContact CB-CH2 4.1Å; N9-W12 HydrophobicContact CB-CZ2 3.65Å; W12-L20 HydrophobicContact CB-CD1 4.42Å; W12-L20 HydrophobicContact CE3-CD1 4.38Å; W12-L20 HydrophobicContact CE3-CD2 4.05Å; W12-L20 HydrophobicContact CE3-CG 4.03Å; W12-L20 HydrophobicContact CZ3-CD2 4.29Å; W12-L20 HydrophobicContact CZ3-CG 4.5Å; W12-K21 CarbonylContact C-O 3.59Å; W12-K21 WeakPolarHBondContact CA-O 3.5Å; W12-F33 HydrophobicContact CH2-CD2 4.41Å; W12-F33 AromaticContact CH2-CE2 3.87Å; W12-F33 HydrophobicContact CH2-CE2 3.87Å; W12-F33 HydrophobicContact CH2-CZ 4.28Å; W12-F33 AromaticContact CZ3-CD2 3.65Å; W12-F33 HydrophobicContact CZ3-CD2 3.65Å; W12-F33 AromaticContact CZ3-CE2 3.48Å; W12-F33 HydrophobicContact CZ3-CE2 3.48Å; W12-F33 VanDerWaalsContact CZ3-CE2 3.48Å; W12-F33 HydrophobicContact CZ3-CZ 4.3Å; W12-W50 AromaticContact CD1-CH2 3.63Å; W12-W50 AromaticContact NE1-CH2 3.72Å; W12-I58 HydrophobicContact CB-CD1 4.09Å; W12-I58 HydrophobicContact CD2-CD1 3.46Å; W12-I58 VanDerWaalsContact CD2-CD1 3.46Å; W12-I58 HydrophobicContact CE3-CD1 4.07Å; W12-I58 HydrophobicContact CG-CD1 3.44Å; W12-I58 VanDerWaalsContact CG-CD1 3.44Å; W12-I58 HydrophobicContact CZ2-CD1 4.34Å; W12-F70 HydrophobicContact CE3-CE1 4.29Å; W12-F70 AromaticContact CH2-CE1 3.44Å; W12-F70 HydrophobicContact CH2-CE1 3.44Å; W12-F70 VanDerWaalsContact CH2-CE1 3.44Å; W12-F70 AromaticContact CH2-CZ 3.95Å; W12-F70 HydrophobicContact CH2-CZ 3.95Å; W12-F70 HydrophobicContact CZ2-CE1 4.24Å; W12-F70 HydrophobicContact CZ3-CD1 4.39Å; W12-F70 AromaticContact CZ3-CE1 3.47Å; W12-F70 HydrophobicContact CZ3-CE1 3.47Å; W12-F70 VanDerWaalsContact CZ3-CE1 3.47Å; W12-F70 AromaticContact CZ3-CZ 3.86Å; W12-F70 HydrophobicContact CZ3-CZ 3.86Å; W12-T72 HydrophobicContact CH2-CG2 4.47Å; W12-T72 HydrophobicContact CZ2-CG2 3.77Å; W12-L317 CarbonylContact O-C 3.55Å; W12-L317 WeakPolarHBondContact O-CA 3.25Å; W12-L318 HydrophobicContact CB-CB 4.17Å; W12-L318 PolarHBondContact N-O 3.18Å; W12-L318 PolarHBondContact O-N 3.3Å
13V91.6Very high79.7Confident0 Ų023.9 Ų23.90%013%0.131CC..EExtended strand (participates in β ladder)trans-133.9127.6-174.3-168.70000109.9V11 K21 L293 L310 L314 C316 L317V11-V13 HydrophobicContact CG1-CG2 3.96Å; V13-K21 PolarHBondContact N-O 3.39Å; V13-K21 PolarHBondContact O-N 2.9Å; V13-L293 HydrophobicContact CG2-CD1 4.38Å; V13-L293 HydrophobicContact CG2-CD2 4.24Å; V13-L310 HydrophobicContact CB-CD1 4.28Å; V13-L310 HydrophobicContact CG1-CD1 4.42Å; V13-L310 HydrophobicContact CG2-CD1 4.07Å; V13-L314 HydrophobicContact CG1-CB 3.8Å; V13-L314 HydrophobicContact CG1-CD1 3.99Å; V13-L314 HydrophobicContact CG1-CD2 3.6Å; V13-L314 HydrophobicContact CG1-CG 3.95Å; V13-C316 WeakPolarHBondContact CG1-O 3.32Å; V13-L317 HydrophobicContact CG2-CD1 4.34Å; V13-L317 HydrophobicContact CG2-CG 4.47Å
14G91.6Very high81.6Confident0 Ų022.4 Ų22.40%012%0.117CC..EExtended strand (participates in β ladder)trans-89.4136.2173.500000110.8N315 C316G14-N315 PolarHBondContact O-N 2.82Å; G14-C316 PolarHBondContact N-O 2.87Å
15T91.1Very high83.1Confident0 Ų020.4 Ų20.40%010%0.1CC..EExtended strand (participates in β ladder)trans-110.7159.7-179.863.50000112.7T17 G18 I19 K21 V45 Q313 L314T15-T17 PolarHBondContact O-N 3.31Å; T15-T17 PolarHBondContact OG1-OG1 3.45Å; T15-G18 PolarHBondContact O-N 3.43Å; T15-I19 PolarHBondContact N-O 2.75Å; T15-I19 VanDerWaalsContact N-O 3.11Å; T15-I19 WeakPolarHBondContact OG1-CA 3.4Å; T15-I19 WeakPolarHBondContact OG1-CB 3.44Å; T15-I19 PolarHBondContact OG1-N 3.32Å; T15-I19 PolarHBondContact OG1-O 3Å; T15-K21 HydrophobicContact CG2-CD 3.98Å; T15-K21 HydrophobicContact CG2-CG 4.17Å; T15-V45 PolarHBondContact O-N 3.07Å; T15-Q313 WeakPolarHBondContact CA-O 3.24Å; T15-Q313 WeakPolarHBondContact CB-O 3.34Å; T15-L314 HydrophobicContact CG2-CD2 3.86Å
16E88.4Confident84Confident59 Ų5922.5 Ų22.528%0.27610%0.103SC..THydrogen-bonded Turntrans-62.5-20.1175-169.5-177.4-174.200113.3G18 A44 Q313E16-G18 VanDerWaalsContact C-N 3.33Å; E16-A44 WeakPolarHBondContact O-CA 3.17Å; E16-A44 WeakPolarHBondContact O-CB 3.23Å; E16-Q313 PolarHBondContact N-O 3.04Å; E16-Q313 PolarHBondContact OE2-OE1 3.16Å
17T86.2Confident84.6Confident37 Ų3728.4 Ų28.423%0.22713%0.125CC..THydrogen-bonded Turntrans-9411.5179.659.20000113.1T15 I19 P39 R40T15-T17 PolarHBondContact O-N 3.31Å; T15-T17 PolarHBondContact OG1-OG1 3.45Å; T17-I19 VanDerWaalsContact C-N 3.29Å; T17-I19 PolarHBondContact O-N 2.94Å; T17-I19 WeakPolarHBondContact OG1-CD1 3.26Å; T17-P39 VanDerWaalsContact O-CB 3.25Å; T17-P39 WeakPolarHBondContact O-CB 3.45Å; T17-R40 CarbonylContact C-O 3.58Å; T17-R40 VanDerWaalsContact C-O 3.28Å; T17-R40 PolarHBondContact O-N 3.43Å
18G84.4Confident85.1Confident13 Ų1328.1 Ų28.113%0.13413%0.128CC..SBendtrans77.68.917900000115.4T15 E16 E43T15-G18 PolarHBondContact O-N 3.43Å; E16-G18 VanDerWaalsContact C-N 3.33Å; G18-E43 WeakPolarHBondContact CA-O 3.33Å
19I89.6Confident85.6Confident19 Ų1930.9 Ų30.910%0.09714%0.144CC..  trans-86.7131.2177.4-53.1170.7000108.6T15 T17 K21 N32 T34 P39T15-I19 PolarHBondContact N-O 2.75Å; T15-I19 VanDerWaalsContact N-O 3.11Å; T15-I19 WeakPolarHBondContact OG1-CA 3.4Å; T15-I19 WeakPolarHBondContact OG1-CB 3.44Å; T15-I19 PolarHBondContact OG1-N 3.32Å; T15-I19 PolarHBondContact OG1-O 3Å; T17-I19 VanDerWaalsContact C-N 3.29Å; T17-I19 PolarHBondContact O-N 2.94Å; T17-I19 WeakPolarHBondContact OG1-CD1 3.26Å; I19-K21 HydrophobicContact CG2-CG 3.96Å; I19-N32 HydrophobicContact CG2-CB 3.87Å; I19-T34 HydrophobicContact CB-CG2 4.43Å; I19-T34 HydrophobicContact CG1-CG2 3.98Å; I19-T34 HydrophobicContact CG2-CG2 4.15Å; I19-P39 HydrophobicContact CD1-CB 3.83Å; I19-P39 HydrophobicContact CD1-CG 4.08Å; I19-P39 HydrophobicContact CG1-CB 3.69Å; I19-P39 HydrophobicContact CG1-CG 4.44Å
20L90.4Very high85.7Confident1 Ų132.7 Ų32.71%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-89.5124.4165.8-179.566.5000108.4W12 F33 L48 V60 F70 F77W12-L20 HydrophobicContact CB-CD1 4.42Å; W12-L20 HydrophobicContact CE3-CD1 4.38Å; W12-L20 HydrophobicContact CE3-CD2 4.05Å; W12-L20 HydrophobicContact CE3-CG 4.03Å; W12-L20 HydrophobicContact CZ3-CD2 4.29Å; W12-L20 HydrophobicContact CZ3-CG 4.5Å; L20-F33 HydrophobicContact CB-CB 4.39Å; L20-F33 PolarHBondContact N-O 3.34Å; L20-F33 PolarHBondContact O-N 3.24Å; L20-L48 HydrophobicContact CD1-CD1 4.22Å; L20-L48 HydrophobicContact CD1-CD2 3.85Å; L20-V60 HydrophobicContact CD1-CG2 4.48Å; L20-V60 HydrophobicContact CD2-CG2 4.07Å; L20-F70 HydrophobicContact CD2-CB 4.16Å; L20-F70 HydrophobicContact CD2-CD1 3.64Å; L20-F70 HydrophobicContact CD2-CD2 4.07Å; L20-F70 HydrophobicContact CD2-CE1 4.01Å; L20-F70 HydrophobicContact CD2-CE2 4.4Å; L20-F70 HydrophobicContact CD2-CG 3.66Å; L20-F70 HydrophobicContact CD2-CZ 4.37Å; L20-F77 HydrophobicContact CB-CZ 4.27Å; L20-F77 HydrophobicContact CD2-CZ 4.4Å
21K90.4Very high85.8Confident8 Ų833.3 Ų33.34%0.03517%0.167CC..EExtended strand (participates in β ladder)trans-111.6124.8179.3-58.9-168178.7-170.40110.1W12 V13 T15 I19 A31 N32 L310 S312W12-K21 CarbonylContact C-O 3.59Å; W12-K21 WeakPolarHBondContact CA-O 3.5Å; V13-K21 PolarHBondContact N-O 3.39Å; V13-K21 PolarHBondContact O-N 2.9Å; T15-K21 HydrophobicContact CG2-CD 3.98Å; T15-K21 HydrophobicContact CG2-CG 4.17Å; I19-K21 HydrophobicContact CG2-CG 3.96Å; K21-A31 CarbonylContact C-O 3.54Å; K21-A31 VanDerWaalsContact CA-O 3.29Å; K21-A31 WeakPolarHBondContact CA-O 3.37Å; K21-N32 VanDerWaalsContact CD-OD1 3.24Å; K21-N32 WeakPolarHBondContact CD-OD1 3.38Å; K21-N32 WeakPolarHBondContact CE-OD1 3.27Å; K21-N32 WeakPolarHBondContact CG-OD1 3.38Å; K21-L310 HydrophobicContact CD-CB 4.24Å; K21-L310 HydrophobicContact CD-CD2 4.34Å; K21-L310 PolarHBondContact NZ-O 2.68Å; K21-S312 PolarHBondContact NZ-OG 2.77Å
22G89.1Confident85.8Confident0 Ų038.1 Ų38.10%019%0.193CC..EExtended strand (participates in β ladder)trans-96.4130.3169.700000109.6N9 V11 A30 A31N9-G22 WeakPolarHBondContact ND2-CA 3.17Å; V11-G22 CarbonylContact O-C 3.28Å; G22-A30 CarbonylContact O-C 3.55Å; G22-A30 WeakPolarHBondContact O-CA 3.43Å; G22-A31 PolarHBondContact N-O 3.48Å; G22-A31 PolarHBondContact O-N 2.86Å
23V87.8Confident85.5Confident0 Ų038.7 Ų38.70%020%0.196CC..EExtended strand (participates in β ladder)trans-117.2122.3179.4-174.20000109.2H10 V11 L25 Q29 A30 L293 V308 L310H10-V23 PolarHBondContact N-O 2.93Å; V11-V23 HydrophobicContact CB-CB 4.42Å; V11-V23 PolarHBondContact N-O 2.78Å; V11-V23 VanDerWaalsContact N-O 3.17Å; V11-V23 PolarHBondContact O-N 2.75Å; V23-L25 HydrophobicContact CG1-CD2 4.13Å; V23-Q29 WeakPolarHBondContact CA-O 3.47Å; V23-A30 HydrophobicContact CG2-CB 4.19Å; V23-L293 HydrophobicContact CB-CD2 3.96Å; V23-L293 HydrophobicContact CG1-CD2 4.05Å; V23-L293 HydrophobicContact CG2-CD2 3.81Å; V23-V308 HydrophobicContact CG1-CB 4.4Å; V23-V308 HydrophobicContact CG1-CG1 4.14Å; V23-V308 HydrophobicContact CG1-CG2 4.12Å; V23-L310 HydrophobicContact CG2-CD1 4.15Å; V23-L310 HydrophobicContact CG2-CD2 3.83Å
24N85.8Confident85Confident10 Ų1042 Ų425%0.05322%0.216CC..EExtended strand (participates in β ladder)trans-92.3117.9167.1-177.9-45.5000108.3W8 N9 Q26 R27 K28 Q29W8-N24 PolarHBondContact O-ND2 3.37Å; N9-N24 PolarHBondContact OD1-N 2.92Å; N24-Q26 WeakPolarHBondContact OD1-CB 3.38Å; N24-Q26 PolarHBondContact OD1-N 2.83Å; N24-R27 PolarHBondContact OD1-N 2.78Å; N24-K28 VanDerWaalsContact O-CA 3.27Å; N24-K28 WeakPolarHBondContact O-CA 3.42Å; N24-K28 PolarHBondContact O-N 3.4Å; N24-Q29 PolarHBondContact N-O 3.45Å; N24-Q29 PolarHBondContact O-N 2.87Å
25L80.4Confident83.8Confident1 Ų144.4 Ų44.41%0.00524%0.236CC..THydrogen-bonded Turntrans-75.6-31.6-174.4-58.1170.9000113.1H10 V11 V23 I295 H306 W325H10-L25 HydrophobicContact CB-CD1 3.87Å; H10-L25 HydrophobicContact CB-CG 4.13Å; V11-L25 HydrophobicContact CG2-CD1 4.04Å; V11-L25 HydrophobicContact CG2-CD2 4.2Å; V11-L25 HydrophobicContact CG2-CG 4.3Å; V23-L25 HydrophobicContact CG1-CD2 4.13Å; L25-I295 HydrophobicContact CD1-CD1 3.12Å; L25-I295 HydrophobicContact CD2-CD1 3.24Å; L25-I295 HydrophobicContact CD2-CG1 4.3Å; L25-I295 HydrophobicContact CG-CD1 3.73Å; L25-H306 HydrophobicContact CD2-CB 4.42Å; L25-H306 PolarHBondContact O-CE1 3.05Å; L25-H306 VanDerWaalsContact O-CE1 3.24Å; L25-H306 PolarHBondContact O-ND1 3.38Å; L25-W325 HydrophobicContact CD1-CH2 3.89Å; L25-W325 HydrophobicContact CD1-CZ2 3.84Å
26Q76.9Confident82.5Confident85 Ų8546.8 Ų46.840%0.39726%0.261SS..THydrogen-bonded Turntrans-68.6-53.1177.5-59.3-174.5-47.200110.7N24 K28 W325N24-Q26 WeakPolarHBondContact OD1-CB 3.38Å; N24-Q26 PolarHBondContact OD1-N 2.83Å; Q26-K28 PolarHBondContact O-N 3.05Å; Q26-W325 PolarHBondContact NE2-O 3.33Å
27R74Confident81.5Confident124 Ų12447.3 Ų47.347%0.46828%0.281SS..THydrogen-bonded Turntrans-76.1-12.4179.3-66-170.7174.61726.5112.8N24 Q29 E328N24-R27 PolarHBondContact OD1-N 2.78Å; R27-Q29 HydrophobicContact CB-CB 4.2Å; R27-Q29 HydrophobicContact CB-CG 4.04Å; R27-Q29 PolarHBondContact O-N 2.93Å; R27-Q29 VanDerWaalsContact O-N 3.16Å; R27-E328 IonicContact CZ-OE2 3.88Å; R27-E328 IonicContact NH1-OE2 3.95Å; R27-E328 IonicContact NH2-OE2 3.69Å; R27-E328 PolarHBondContact NH2-OE2 3.24Å
28K75.4Confident80.9Confident145 Ų14553.5 Ų53.563%0.6331%0.308SS*.THydrogen-bonded Turntrans52.130.7-171.2-59.4178-178.4173.60112.2N24 Q26N24-K28 VanDerWaalsContact O-CA 3.27Å; N24-K28 WeakPolarHBondContact O-CA 3.42Å; N24-K28 PolarHBondContact O-N 3.4Å; Q26-K28 PolarHBondContact O-N 3.05Å
29Q80.4Confident80.5Confident121 Ų12156.5 Ų56.557%0.56533%0.325SS*.EExtended strand (participates in β ladder)trans-101.3144.4-179.7-74.4176.9-1.500109.8V23 N24 R27V23-Q29 WeakPolarHBondContact CA-O 3.47Å; N24-Q29 PolarHBondContact N-O 3.45Å; N24-Q29 PolarHBondContact O-N 2.87Å; R27-Q29 HydrophobicContact CB-CB 4.2Å; R27-Q29 HydrophobicContact CB-CG 4.04Å; R27-Q29 PolarHBondContact O-N 2.93Å; R27-Q29 VanDerWaalsContact O-N 3.16Å
30A83.1Confident80.2Confident47 Ų4762.7 Ų62.739%0.38835%0.347SS..EExtended strand (participates in β ladder)trans-120.5122.1174.800000109.2G22 V23 L310G22-A30 CarbonylContact O-C 3.55Å; G22-A30 WeakPolarHBondContact O-CA 3.43Å; V23-A30 HydrophobicContact CG2-CB 4.19Å; A30-L310 HydrophobicContact CB-CD2 3.42Å; A30-L310 VanDerWaalsContact CB-CD2 3.42Å
31A85.1Confident79.9Confident27 Ų2771.6 Ų71.622%0.22338%0.381CS..EExtended strand (participates in β ladder)trans-98.2140.3172.400000109.7K21 G22 F33K21-A31 CarbonylContact C-O 3.54Å; K21-A31 VanDerWaalsContact CA-O 3.29Å; K21-A31 WeakPolarHBondContact CA-O 3.37Å; G22-A31 PolarHBondContact N-O 3.48Å; G22-A31 PolarHBondContact O-N 2.86Å; A31-F33 HydrophobicContact CB-CE2 3.67Å; A31-F33 HydrophobicContact CB-CZ 3.81Å
32N88.1Confident79.5Confident101 Ų10177.9 Ų77.954%0.5441%0.41SS..EExtended strand (participates in β ladder)trans-104.2132.4176.2-60.6-41.2000109I19 K21I19-N32 HydrophobicContact CG2-CB 3.87Å; K21-N32 VanDerWaalsContact CD-OD1 3.24Å; K21-N32 WeakPolarHBondContact CD-OD1 3.38Å; K21-N32 WeakPolarHBondContact CE-OD1 3.27Å; K21-N32 WeakPolarHBondContact CG-OD1 3.38Å
33F84.9Confident79.2Confident15 Ų1580.6 Ų80.67%0.06642%0.423CS..EExtended strand (participates in β ladder)trans-121.2131.5177-57.1-86.8000109.2A6 W12 L20 A31 F70 G75 F77A6-F33 HydrophobicContact CB-CE1 4.08Å; A6-F33 HydrophobicContact CB-CZ 3.83Å; W12-F33 HydrophobicContact CH2-CD2 4.41Å; W12-F33 AromaticContact CH2-CE2 3.87Å; W12-F33 HydrophobicContact CH2-CE2 3.87Å; W12-F33 HydrophobicContact CH2-CZ 4.28Å; W12-F33 AromaticContact CZ3-CD2 3.65Å; W12-F33 HydrophobicContact CZ3-CD2 3.65Å; W12-F33 AromaticContact CZ3-CE2 3.48Å; W12-F33 HydrophobicContact CZ3-CE2 3.48Å; W12-F33 VanDerWaalsContact CZ3-CE2 3.48Å; W12-F33 HydrophobicContact CZ3-CZ 4.3Å; L20-F33 HydrophobicContact CB-CB 4.39Å; L20-F33 PolarHBondContact N-O 3.34Å; L20-F33 PolarHBondContact O-N 3.24Å; A31-F33 HydrophobicContact CB-CE2 3.67Å; A31-F33 HydrophobicContact CB-CZ 3.81Å; F33-F70 HydrophobicContact CB-CE2 3.74Å; F33-F70 HydrophobicContact CB-CZ 4.11Å; F33-F70 AromaticContact CD1-CE2 3.73Å; F33-F70 HydrophobicContact CD1-CE2 3.73Å; F33-F70 AromaticContact CD1-CZ 3.64Å; F33-F70 HydrophobicContact CD1-CZ 3.64Å; F33-F70 HydrophobicContact CD2-CZ 4.07Å; F33-F70 HydrophobicContact CE1-CE2 4.48Å; F33-F70 HydrophobicContact CE1-CZ 4.01Å; F33-F70 HydrophobicContact CE2-CZ 4.4Å; F33-F70 AromaticContact CG-CE2 3.76Å; F33-F70 HydrophobicContact CG-CE2 3.76Å; F33-F70 AromaticContact CG-CZ 3.66Å; F33-F70 HydrophobicContact CG-CZ 3.66Å; F33-F70 HydrophobicContact CZ-CZ 4.37Å; F33-G75 WeakPolarHBondContact CD1-O 3.39Å; F33-F77 HydrophobicContact CB-CE2 4.1Å
34T82.3Confident79.2Confident68 Ų6881.2 Ų81.242%0.41743%0.428SS..  trans-134.6137.8-179.5510000109.4I19 G36I19-T34 HydrophobicContact CB-CG2 4.43Å; I19-T34 HydrophobicContact CG1-CG2 3.98Å; I19-T34 HydrophobicContact CG2-CG2 4.15Å; T34-G36 PolarHBondContact O-N 2.86Å
35A65.9Low79.4Confident51 Ų5180.7 Ų80.742%0.42143%0.425SS..SBendtrans-73-6-177.800000114.3K68 F77A35-K68 HydrophobicContact CB-CD 3.88Å; A35-F77 HydrophobicContact CB-CB 4.14Å; A35-F77 HydrophobicContact CB-CD1 3.93Å; A35-F77 HydrophobicContact CB-CD2 3.74Å; A35-F77 HydrophobicContact CB-CE1 4.24Å; A35-F77 HydrophobicContact CB-CE2 4.08Å; A35-F77 HydrophobicContact CB-CG 3.64Å; A35-F77 HydrophobicContact CB-CZ 4.31Å; A35-F77 VanDerWaalsContact N-CE2 3.34Å
36G63.6Low79.9Confident51 Ų5181.7 Ų81.753%0.52643%0.432SS..SBendtrans140.5147177.700000111.3T34T34-G36 PolarHBondContact O-N 2.86Å
37G68.6Low80.4Confident69 Ų6977.9 Ų77.971%0.71142%0.415SS*.SBendtrans76-173.7177.400000115.7
38Q72.3Confident81.3Confident168 Ų16872.8 Ų72.879%0.78540%0.397SS*.SBendtrans-76.5142.4175.8-73.8-179.2-7.600110.8R40Q38-R40 PolarHBondContact O-N 2.81Å
39P76.9Confident82Confident76 Ų7667.1 Ų67.149%0.49438%0.376SS..  trans-65.1125.3-179.527.7-35.1000111.3T17 I19T17-P39 VanDerWaalsContact O-CB 3.25Å; T17-P39 WeakPolarHBondContact O-CB 3.45Å; I19-P39 HydrophobicContact CD1-CB 3.83Å; I19-P39 HydrophobicContact CD1-CG 4.08Å; I19-P39 HydrophobicContact CG1-CB 3.69Å; I19-P39 HydrophobicContact CG1-CG 4.44Å
40R83.3Confident82.4Confident149 Ų14963.6 Ų63.656%0.56236%0.357SS*.  trans-114.7148.2179.6-65.3-178.5-178.2-166.52.1110.7T17 Q38 E42 E43T17-R40 CarbonylContact C-O 3.58Å; T17-R40 VanDerWaalsContact C-O 3.28Å; T17-R40 PolarHBondContact O-N 3.43Å; Q38-R40 PolarHBondContact O-N 2.81Å; R40-E42 PolarHBondContact O-N 2.8Å; R40-E43 PolarHBondContact O-N 2.97Å
41R82.8Confident82.4Confident188 Ų18861.8 Ų61.871%0.70934%0.343SS*.G310 helixtrans-68.9-23.1175.1-68.4-174.3-179.8-176.4-0.1113.1E43 A44R41-E43 PolarHBondContact O-N 2.87Å; R41-A44 VanDerWaalsContact O-CB 3.31Å; R41-A44 WeakPolarHBondContact O-CB 3.29Å; R41-A44 PolarHBondContact O-N 3.01Å
42E81.9Confident81.7Confident140 Ų14063.7 Ų63.765%0.65435%0.352SS*.G310 helixtrans-65.9-27.9175.8-65.8171.3179.900112R40 A44 A63 D64R40-E42 PolarHBondContact O-N 2.8Å; E42-A44 VanDerWaalsContact C-N 3.3Å; E42-A44 PolarHBondContact O-N 3.35Å; E42-A63 CarbonylContact O-C 3.55Å; E42-A63 WeakPolarHBondContact O-CB 3.44Å; E42-D64 PolarHBondContact O-N 2.66Å
43E83.7Confident80.6Confident56 Ų5661.1 Ų61.126%0.26235%0.35SS..G310 helixtrans-94.919.5177.8-58.5-174.2-164.900112.5G18 R40 R41 V45 C62 K68G18-E43 WeakPolarHBondContact CA-O 3.33Å; R40-E43 PolarHBondContact O-N 2.97Å; R41-E43 PolarHBondContact O-N 2.87Å; E43-V45 PolarHBondContact O-N 3.38Å; E43-C62 PolarHBondContact O-SG 2.93Å; E43-K68 IonicContact OE2-NZ 3.29Å; E43-K68 PolarHBondContact OE2-NZ 2.94Å
44A87.9Confident80Confident13 Ų1362.2 Ų62.211%0.10737%0.365CS..  trans-46.7130-179.400000111.6E16 R41 E42 S46 C62 A63E16-A44 WeakPolarHBondContact O-CA 3.17Å; E16-A44 WeakPolarHBondContact O-CB 3.23Å; R41-A44 VanDerWaalsContact O-CB 3.31Å; R41-A44 WeakPolarHBondContact O-CB 3.29Å; R41-A44 PolarHBondContact O-N 3.01Å; E42-A44 VanDerWaalsContact C-N 3.3Å; E42-A44 PolarHBondContact O-N 3.35Å; A44-S46 PolarHBondContact O-N 2.92Å; A44-C62 CarbonylContact O-C 3.53Å; A44-C62 WeakPolarHBondContact O-CA 3.46Å; A44-A63 HydrophobicContact CB-CB 4.06Å; A44-A63 PolarHBondContact O-N 3.4Å
45V90.7Very high79.8Confident0 Ų061 Ų610%036%0.355CS..EExtended strand (participates in β ladder)trans-74.1119.4176.2-172.60000108.2T15 E43 L48 V60 N315 C316T15-V45 PolarHBondContact O-N 3.07Å; E43-V45 PolarHBondContact O-N 3.38Å; V45-L48 HydrophobicContact CG1-CD2 3.96Å; V45-L48 HydrophobicContact CG1-CG 4.07Å; V45-V60 HydrophobicContact CB-CG1 4.27Å; V45-V60 HydrophobicContact CG1-CG1 3.56Å; V45-V60 HydrophobicContact CG2-CG1 3.76Å; V45-N315 VanDerWaalsContact O-CB 3.27Å; V45-N315 WeakPolarHBondContact O-CB 3.38Å; V45-N315 PolarHBondContact O-ND2 2.88Å; V45-C316 VanDerWaalsContact CG1-SG 3.59Å
46S89.8Confident80.5Confident21 Ų2160.5 Ų60.515%0.14735%0.346CS..EExtended strand (participates in β ladder)trans-102.7-41.5-176.359.30000112A44 G61 F90A44-S46 PolarHBondContact O-N 2.92Å; S46-G61 PolarHBondContact N-O 3.19Å; S46-G61 PolarHBondContact OG-O 2.86Å; S46-F90 WeakPolarHBondContact CB-O 3.25Å; S46-F90 PolarHBondContact OG-O 3.46Å
47A88.9Confident81.6Confident5 Ų560.6 Ų60.64%0.04133%0.333CS..EExtended strand (participates in β ladder)trans-137.3149179.500000111.3G61 L93A47-G61 PolarHBondContact N-O 2.87Å; A47-G61 PolarHBondContact O-N 2.89Å; A47-L93 HydrophobicContact CB-CB 4Å
48L91.8Very high82.6Confident17 Ų1757.3 Ų57.39%0.08930%0.299CS..EExtended strand (participates in β ladder)trans-129.1140.3173.6-71.5171.6000109.1L20 V45 I58 L59 V60 C316 L318L20-L48 HydrophobicContact CD1-CD1 4.22Å; L20-L48 HydrophobicContact CD1-CD2 3.85Å; V45-L48 HydrophobicContact CG1-CD2 3.96Å; V45-L48 HydrophobicContact CG1-CG 4.07Å; L48-I58 HydrophobicContact CD2-CG2 3.94Å; L48-L59 WeakPolarHBondContact CA-O 3.3Å; L48-V60 HydrophobicContact CD2-CB 4.18Å; L48-V60 HydrophobicContact CD2-CG1 4.09Å; L48-V60 HydrophobicContact CD2-CG2 3.77Å; L48-C316 HydrophobicContact CD1-CB 4.4Å; L48-C316 HydrophobicContact CG-CB 4.46Å; L48-L318 HydrophobicContact CB-CB 4.18Å; L48-L318 HydrophobicContact CD1-CB 4.28Å
49C89.7Confident83.5Confident27 Ų2749.3 Ų49.318%0.18226%0.262CS..EExtended strand (participates in β ladder)trans-143.7150.4175-159.90000110.9I58 L59 L93C49-I58 WeakPolarHBondContact O-CA 2.92Å; C49-L59 HydrophobicContact CB-CB 4.49Å; C49-L59 PolarHBondContact N-O 2.8Å; C49-L59 VanDerWaalsContact N-O 3.08Å; C49-L59 PolarHBondContact O-N 2.8Å; C49-L93 HydrophobicContact CB-CD2 3.61Å; C49-L93 WeakPolarHBondContact CB-O 3.35Å; C49-L93 PolarHBondContact SG-O 3.23Å; C49-L93 VanDerWaalsContact SG-O 3.39Å
50W88.8Confident84.1Confident46 Ų4645.8 Ų45.817%0.17424%0.239CC..EExtended strand (participates in β ladder)trans-77.2148.1168.5-70.5120.6000110W12 E55 I58 T72 L318 L319W12-W50 AromaticContact CD1-CH2 3.63Å; W12-W50 AromaticContact NE1-CH2 3.72Å; W50-E55 HydrophobicContact CD2-CG 4.1Å; W50-E55 HydrophobicContact CE3-CB 4.12Å; W50-E55 HydrophobicContact CE3-CG 4.2Å; W50-E55 HydrophobicContact CH2-CB 4.15Å; W50-E55 HydrophobicContact CH2-CG 4.3Å; W50-E55 HydrophobicContact CZ2-CG 4.21Å; W50-E55 HydrophobicContact CZ3-CB 3.91Å; W50-E55 HydrophobicContact CZ3-CG 4.28Å; W50-I58 HydrophobicContact CE3-CD1 4.43Å; W50-I58 HydrophobicContact CE3-CG1 3.63Å; W50-I58 HydrophobicContact CH2-CD1 3.96Å; W50-I58 HydrophobicContact CH2-CG1 4.06Å; W50-I58 HydrophobicContact CZ3-CD1 3.69Å; W50-I58 HydrophobicContact CZ3-CG1 3.31Å; W50-T72 HydrophobicContact CZ3-CG2 4.05Å; W50-L318 HydrophobicContact CD2-CD1 4.42Å; W50-L318 HydrophobicContact CD2-CD2 3.45Å; W50-L318 VanDerWaalsContact CD2-CD2 3.45Å; W50-L318 HydrophobicContact CD2-CG 4Å; W50-L318 VanDerWaalsContact CE2-CG 3.41Å; W50-L318 HydrophobicContact CE3-CD2 3.9Å; W50-L318 HydrophobicContact CG-CD1 4.15Å; W50-L318 HydrophobicContact CG-CD2 3.86Å; W50-L318 HydrophobicContact CG-CG 4.26Å; W50-L318 HydrophobicContact CH2-CD2 4.15Å; W50-L318 HydrophobicContact CZ2-CD2 3.72Å; W50-L318 HydrophobicContact CZ2-CG 3.74Å; W50-L318 HydrophobicContact CZ3-CD2 4.24Å; W50-L319 PolarHBondContact NE1-O 3.35Å
51G82.9Confident84.4Confident9 Ų938.7 Ų38.79%0.09321%0.212CC..EExtended strand (participates in β ladder)trans-83.8172.5176.200000114.4G53 G54 Q57G51-G53 PolarHBondContact O-N 2.86Å; G51-G54 PolarHBondContact O-N 2.93Å; G51-Q57 PolarHBondContact N-O 3.45Å
52T70.8Confident84.7Confident67 Ų6729.8 Ų29.841%0.41118%0.179SC..THydrogen-bonded Turntrans-66.3-20.2-177.647.20000113.8G54 Q95 D97T52-G54 PolarHBondContact O-N 3.13Å; T52-Q95 HydrophobicContact CG2-CB 4.22Å; T52-Q95 HydrophobicContact CG2-CG 3.75Å; T52-D97 VanDerWaalsContact CG2-N 3.27Å
53G66.1Low84.9Confident48 Ų4824.4 Ų24.450%0.49516%0.159SC..THydrogen-bonded Turntrans-82.418.2172.900000114.7G51 T56G51-G53 PolarHBondContact O-N 2.86Å; G53-T56 PolarHBondContact O-OG1 3.19Å
54G72Confident85Confident38 Ų3824 Ų2439%0.39216%0.158SC..EExtended strand (participates in β ladder)trans74.7-144.1-173.600000112.5G51 T52 T56G51-G54 PolarHBondContact O-N 2.93Å; T52-G54 PolarHBondContact O-N 3.13Å; G54-T56 PolarHBondContact O-N 3.12Å
55E77.6Confident84.9Confident43 Ų4328.2 Ų28.220%0.20117%0.171CC..EExtended strand (participates in β ladder)trans-8440-176.5-59-179.6-171.100113.4W50 T72 S320 G321 R322W50-E55 HydrophobicContact CD2-CG 4.1Å; W50-E55 HydrophobicContact CE3-CB 4.12Å; W50-E55 HydrophobicContact CE3-CG 4.2Å; W50-E55 HydrophobicContact CH2-CB 4.15Å; W50-E55 HydrophobicContact CH2-CG 4.3Å; W50-E55 HydrophobicContact CZ2-CG 4.21Å; W50-E55 HydrophobicContact CZ3-CB 3.91Å; W50-E55 HydrophobicContact CZ3-CG 4.28Å; E55-T72 PolarHBondContact O-OG1 2.95Å; E55-S320 WeakPolarHBondContact OE2-CA 3.46Å; E55-S320 VanDerWaalsContact OE2-CB 3.25Å; E55-S320 WeakPolarHBondContact OE2-CB 3.46Å; E55-S320 PolarHBondContact OE2-OG 3.4Å; E55-G321 VanDerWaalsContact OE1-CA 3.22Å; E55-G321 WeakPolarHBondContact OE1-CA 3.29Å; E55-G321 PolarHBondContact OE1-N 2.93Å; E55-G321 PolarHBondContact OE2-N 3.4Å; E55-R322 PolarHBondContact O-NH2 3.42Å; E55-R322 WeakPolarHBondContact OE2-CG 3.07Å; E55-R322 IonicContact OE2-NE 2.81Å
56T81.3Confident84.8Confident39 Ų3928.9 Ų28.924%0.23918%0.175CC..EExtended strand (participates in β ladder)trans-105.2-29.417854.40000111.2G53 G54 T72 E73G53-T56 PolarHBondContact O-OG1 3.19Å; G54-T56 PolarHBondContact O-N 3.12Å; T56-T72 WeakPolarHBondContact CA-OG1 3.36Å; T56-T72 PolarHBondContact O-N 3.29Å; T56-T72 PolarHBondContact O-OG1 3.46Å; T56-E73 WeakPolarHBondContact CG2-OE1 3.46Å
57Q86.7Confident84.8Confident53 Ų5327.9 Ų27.925%0.24817%0.168CC..EExtended strand (participates in β ladder)trans-129.5139.9-178.9-68.4-179-20.900111G51 F70G51-Q57 PolarHBondContact N-O 3.45Å; Q57-F70 CarbonylContact C-O 3.52Å; Q57-F70 WeakPolarHBondContact CA-O 3.33Å
58I89.8Confident84.8Confident0 Ų028 Ų280%017%0.168CC..EExtended strand (participates in β ladder)trans-118.4130.3173.9-61.8172.2000108.1W12 L48 C49 W50 V60 F70 T72 L318W12-I58 HydrophobicContact CB-CD1 4.09Å; W12-I58 HydrophobicContact CD2-CD1 3.46Å; W12-I58 VanDerWaalsContact CD2-CD1 3.46Å; W12-I58 HydrophobicContact CE3-CD1 4.07Å; W12-I58 HydrophobicContact CG-CD1 3.44Å; W12-I58 VanDerWaalsContact CG-CD1 3.44Å; W12-I58 HydrophobicContact CZ2-CD1 4.34Å; L48-I58 HydrophobicContact CD2-CG2 3.94Å; C49-I58 WeakPolarHBondContact O-CA 2.92Å; W50-I58 HydrophobicContact CE3-CD1 4.43Å; W50-I58 HydrophobicContact CE3-CG1 3.63Å; W50-I58 HydrophobicContact CH2-CD1 3.96Å; W50-I58 HydrophobicContact CH2-CG1 4.06Å; W50-I58 HydrophobicContact CZ3-CD1 3.69Å; W50-I58 HydrophobicContact CZ3-CG1 3.31Å; I58-V60 HydrophobicContact CG2-CG2 4.09Å; I58-F70 HydrophobicContact CB-CB 4.37Å; I58-F70 HydrophobicContact CB-CD1 4.36Å; I58-F70 HydrophobicContact CD1-CD1 4.24Å; I58-F70 PolarHBondContact N-O 2.99Å; I58-F70 PolarHBondContact O-N 3.37Å; I58-T72 HydrophobicContact CD1-CG2 3.55Å; I58-T72 HydrophobicContact CG1-CG2 3.77Å; I58-L318 HydrophobicContact CD1-CD2 4.32Å; I58-L318 HydrophobicContact CG1-CD2 4.06Å; I58-L318 HydrophobicContact CG2-CD2 4.01Å
59L89.6Confident84.7Confident0 Ų028.7 Ų28.70%017%0.17CC..EExtended strand (participates in β ladder)trans-93.4127.1169-60.7-175.1000110L48 C49 V67 H69 L93 Q95 L100L48-L59 WeakPolarHBondContact CA-O 3.3Å; C49-L59 HydrophobicContact CB-CB 4.49Å; C49-L59 PolarHBondContact N-O 2.8Å; C49-L59 VanDerWaalsContact N-O 3.08Å; C49-L59 PolarHBondContact O-N 2.8Å; L59-V67 HydrophobicContact CB-CG1 4.22Å; L59-V67 HydrophobicContact CD2-CG1 4.34Å; L59-H69 HydrophobicContact CD2-CB 4.39Å; L59-H69 VanDerWaalsContact CD2-CD2 3.49Å; L59-H69 WeakPolarHBondContact CD2-CD2 2.93Å; L59-L93 HydrophobicContact CB-CD2 3.47Å; L59-L93 VanDerWaalsContact CB-CD2 3.47Å; L59-L93 HydrophobicContact CD1-CD2 3.61Å; L59-L93 HydrophobicContact CG-CD2 4.24Å; L59-Q95 HydrophobicContact CD1-CB 3.75Å; L59-Q95 HydrophobicContact CD1-CG 4.04Å; L59-Q95 VanDerWaalsContact CD1-OE1 3.23Å; L59-L100 HydrophobicContact CD1-CD1 3.56Å
60V90.4Very high84.6Confident2 Ų227.4 Ų27.41%0.01216%0.162CC..EExtended strand (participates in β ladder)trans-113.4108.5-177.8-173.80000108.5L20 V45 L48 I58 V67 K68 F70 F77L20-V60 HydrophobicContact CD1-CG2 4.48Å; L20-V60 HydrophobicContact CD2-CG2 4.07Å; V45-V60 HydrophobicContact CB-CG1 4.27Å; V45-V60 HydrophobicContact CG1-CG1 3.56Å; V45-V60 HydrophobicContact CG2-CG1 3.76Å; L48-V60 HydrophobicContact CD2-CB 4.18Å; L48-V60 HydrophobicContact CD2-CG1 4.09Å; L48-V60 HydrophobicContact CD2-CG2 3.77Å; I58-V60 HydrophobicContact CG2-CG2 4.09Å; V60-V67 WeakPolarHBondContact O-CA 3.24Å; V60-K68 HydrophobicContact CB-CB 4.27Å; V60-K68 PolarHBondContact N-O 2.82Å; V60-K68 PolarHBondContact O-N 2.91Å; V60-F70 HydrophobicContact CG2-CB 4.45Å; V60-F77 HydrophobicContact CG2-CE1 4.28Å
61G89.3Confident84.5Confident0 Ų025.4 Ų25.40%016%0.155CC..EExtended strand (participates in β ladder)trans-84.8111.4174.700000110.8S46 A47S46-G61 PolarHBondContact N-O 3.19Å; S46-G61 PolarHBondContact OG-O 2.86Å; A47-G61 PolarHBondContact N-O 2.87Å; A47-G61 PolarHBondContact O-N 2.89Å
62C89.5Confident84.5Confident1 Ų125.2 Ų25.21%0.00715%0.152CC..EExtended strand (participates in β ladder)trans-91.7155.2178-75.30000111.8E43 A44 D64 R65 T66 F90E43-C62 PolarHBondContact O-SG 2.93Å; A44-C62 CarbonylContact O-C 3.53Å; A44-C62 WeakPolarHBondContact O-CA 3.46Å; C62-D64 WeakPolarHBondContact CB-OD1 3.34Å; C62-D64 PolarHBondContact O-N 2.83Å; C62-R65 PolarHBondContact O-N 2.99Å; C62-T66 PolarHBondContact N-O 3.35Å; C62-F90 VanDerWaalsContact O-CD2 3.24Å; C62-F90 WeakPolarHBondContact O-CD2 3.36Å; C62-F90 WeakPolarHBondContact O-CE2 3.25Å
63A86.8Confident84.9Confident28 Ų2827.1 Ų27.123%0.23116%0.156CC..THydrogen-bonded Turntrans-67.5-17.8178.900000113.7E42 A44 R65 I89E42-A63 CarbonylContact O-C 3.55Å; E42-A63 WeakPolarHBondContact O-CB 3.44Å; A44-A63 HydrophobicContact CB-CB 4.06Å; A44-A63 PolarHBondContact O-N 3.4Å; A63-R65 PolarHBondContact O-N 2.94Å; A63-I89 HydrophobicContact CB-CG2 3.84Å
64D85.4Confident85.4Confident47 Ų4728.3 Ų28.325%0.25115%0.151SC..THydrogen-bonded Turntrans-74.84.3173.266.7-4.8000113.9E42 C62 T66E42-D64 PolarHBondContact O-N 2.66Å; C62-D64 WeakPolarHBondContact CB-OD1 3.34Å; C62-D64 PolarHBondContact O-N 2.83Å; D64-T66 VanDerWaalsContact C-N 3.27Å; D64-T66 VanDerWaalsContact CG-OG1 3.22Å; D64-T66 WeakPolarHBondContact OD1-CB 3.44Å; D64-T66 PolarHBondContact OD1-N 3.04Å; D64-T66 PolarHBondContact OD1-OG1 2.72Å; D64-T66 PolarHBondContact OD2-OG1 2.89Å; D64-T66 VanDerWaalsContact OD2-OG1 3.09Å
65R86.1Confident85.8Confident102 Ų10226.9 Ų26.939%0.38514%0.136SC..SBendtrans69.222.1-176.5-52.2167.7-68.4-162-0.3113.8C62 A63 C83 F90C62-R65 PolarHBondContact O-N 2.99Å; A63-R65 PolarHBondContact O-N 2.94Å; R65-C83 PolarHBondContact O-N 2.97Å; R65-F90 VanDerWaalsContact CA-CE2 3.44Å; R65-F90 HydrophobicContact CB-CE2 4.42Å; R65-F90 HydrophobicContact CB-CZ 4.12Å
66T88.4Confident86.1Confident13 Ų1330 Ų308%0.0815%0.153CC..EExtended strand (participates in β ladder)trans-96.3140.8169.169.20000110.8C62 D64 R81C62-T66 PolarHBondContact N-O 3.35Å; D64-T66 VanDerWaalsContact C-N 3.27Å; D64-T66 VanDerWaalsContact CG-OG1 3.22Å; D64-T66 WeakPolarHBondContact OD1-CB 3.44Å; D64-T66 PolarHBondContact OD1-N 3.04Å; D64-T66 PolarHBondContact OD1-OG1 2.72Å; D64-T66 PolarHBondContact OD2-OG1 2.89Å; D64-T66 VanDerWaalsContact OD2-OG1 3.09Å; T66-R81 CarbonylContact C-O 3.59Å; T66-R81 VanDerWaalsContact CA-O 3.28Å; T66-R81 WeakPolarHBondContact CA-O 3.46Å
67V89Confident86.2Confident0 Ų030 Ų300%015%0.15CC..EExtended strand (participates in β ladder)trans-104.9115.2166.8179.90000107L59 V60 Q80 R81 F90 L93 L100 T102L59-V67 HydrophobicContact CB-CG1 4.22Å; L59-V67 HydrophobicContact CD2-CG1 4.34Å; V60-V67 WeakPolarHBondContact O-CA 3.24Å; V67-Q80 WeakPolarHBondContact O-CA 3.36Å; V67-R81 PolarHBondContact N-O 2.96Å; V67-R81 PolarHBondContact O-N 2.82Å; V67-F90 HydrophobicContact CG2-CE2 4.14Å; V67-F90 HydrophobicContact CG2-CZ 4.2Å; V67-L93 HydrophobicContact CB-CD1 4.44Å; V67-L93 HydrophobicContact CG1-CD1 3.91Å; V67-L93 HydrophobicContact CG2-CD1 3.72Å; V67-L100 HydrophobicContact CB-CD2 4.26Å; V67-L100 HydrophobicContact CG1-CD1 4.42Å; V67-L100 HydrophobicContact CG1-CD2 4.18Å; V67-L100 HydrophobicContact CG2-CD2 4.22Å; V67-T102 HydrophobicContact CG2-CG2 4.17Å
68K88.8Confident86Confident8 Ų832.3 Ų32.34%0.03516%0.161CC..EExtended strand (participates in β ladder)trans-98.8134.8-179.9-59.2176.5178.7172.40109.4A35 E43 V60 F77 Q80A35-K68 HydrophobicContact CB-CD 3.88Å; E43-K68 IonicContact OE2-NZ 3.29Å; E43-K68 PolarHBondContact OE2-NZ 2.94Å; V60-K68 HydrophobicContact CB-CB 4.27Å; V60-K68 PolarHBondContact N-O 2.82Å; V60-K68 PolarHBondContact O-N 2.91Å; K68-F77 HydrophobicContact CB-CD1 3.92Å; K68-F77 HydrophobicContact CB-CE1 4.05Å; K68-Q80 HydrophobicContact CG-CB 4.02Å
69H88.8Confident85.6Confident31 Ų3134 Ų3414%0.14418%0.178CC..EExtended strand (participates in β ladder)trans-98.9119.6-179.5-68.7-144.3000108.2L59 F77 Q78 G79 D114L59-H69 HydrophobicContact CD2-CB 4.39Å; L59-H69 VanDerWaalsContact CD2-CD2 3.49Å; L59-H69 WeakPolarHBondContact CD2-CD2 2.93Å; H69-F77 CarbonylContact O-C 3.48Å; H69-F77 VanDerWaalsContact O-CA 3.32Å; H69-F77 WeakPolarHBondContact O-CA 3.42Å; H69-Q78 PolarHBondContact O-N 3.42Å; H69-G79 PolarHBondContact N-O 2.91Å; H69-D114 IonicContact CE1-OD1 3.61Å
70F88.6Confident85.4Confident1 Ų140.6 Ų40.60%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-116.4121.8-178.1179.3-96.1000110.3W12 L20 F33 Q57 I58 V60 T72 F77W12-F70 HydrophobicContact CE3-CE1 4.29Å; W12-F70 AromaticContact CH2-CE1 3.44Å; W12-F70 HydrophobicContact CH2-CE1 3.44Å; W12-F70 VanDerWaalsContact CH2-CE1 3.44Å; W12-F70 AromaticContact CH2-CZ 3.95Å; W12-F70 HydrophobicContact CH2-CZ 3.95Å; W12-F70 HydrophobicContact CZ2-CE1 4.24Å; W12-F70 HydrophobicContact CZ3-CD1 4.39Å; W12-F70 AromaticContact CZ3-CE1 3.47Å; W12-F70 HydrophobicContact CZ3-CE1 3.47Å; W12-F70 VanDerWaalsContact CZ3-CE1 3.47Å; W12-F70 AromaticContact CZ3-CZ 3.86Å; W12-F70 HydrophobicContact CZ3-CZ 3.86Å; L20-F70 HydrophobicContact CD2-CB 4.16Å; L20-F70 HydrophobicContact CD2-CD1 3.64Å; L20-F70 HydrophobicContact CD2-CD2 4.07Å; L20-F70 HydrophobicContact CD2-CE1 4.01Å; L20-F70 HydrophobicContact CD2-CE2 4.4Å; L20-F70 HydrophobicContact CD2-CG 3.66Å; L20-F70 HydrophobicContact CD2-CZ 4.37Å; F33-F70 HydrophobicContact CB-CE2 3.74Å; F33-F70 HydrophobicContact CB-CZ 4.11Å; F33-F70 AromaticContact CD1-CE2 3.73Å; F33-F70 HydrophobicContact CD1-CE2 3.73Å; F33-F70 AromaticContact CD1-CZ 3.64Å; F33-F70 HydrophobicContact CD1-CZ 3.64Å; F33-F70 HydrophobicContact CD2-CZ 4.07Å; F33-F70 HydrophobicContact CE1-CE2 4.48Å; F33-F70 HydrophobicContact CE1-CZ 4.01Å; F33-F70 HydrophobicContact CE2-CZ 4.4Å; F33-F70 AromaticContact CG-CE2 3.76Å; F33-F70 HydrophobicContact CG-CE2 3.76Å; F33-F70 AromaticContact CG-CZ 3.66Å; F33-F70 HydrophobicContact CG-CZ 3.66Å; F33-F70 HydrophobicContact CZ-CZ 4.37Å; Q57-F70 CarbonylContact C-O 3.52Å; Q57-F70 WeakPolarHBondContact CA-O 3.33Å; I58-F70 HydrophobicContact CB-CB 4.37Å; I58-F70 HydrophobicContact CB-CD1 4.36Å; I58-F70 HydrophobicContact CD1-CD1 4.24Å; I58-F70 PolarHBondContact N-O 2.99Å; I58-F70 PolarHBondContact O-N 3.37Å; V60-F70 HydrophobicContact CG2-CB 4.45Å; F70-T72 HydrophobicContact CD1-CG2 4.37Å; F70-T72 HydrophobicContact CE1-CG2 4.32Å; F70-F77 HydrophobicContact CB-CD1 4Å; F70-F77 HydrophobicContact CB-CE1 3.93Å; F70-F77 HydrophobicContact CD2-CD1 4.05Å; F70-F77 AromaticContact CD2-CD2 3.85Å; F70-F77 HydrophobicContact CD2-CD2 3.85Å; F70-F77 AromaticContact CD2-CE1 3.97Å; F70-F77 HydrophobicContact CD2-CE1 3.97Å; F70-F77 AromaticContact CD2-CE2 3.73Å; F70-F77 HydrophobicContact CD2-CE2 3.73Å; F70-F77 HydrophobicContact CD2-CG 4.02Å; F70-F77 AromaticContact CD2-CZ 3.81Å; F70-F77 HydrophobicContact CD2-CZ 3.81Å; F70-F77 HydrophobicContact CE2-CD2 4.36Å; F70-F77 HydrophobicContact CE2-CE2 4.15Å; F70-F77 HydrophobicContact CG-CE1 4.34Å; F70-F77 HydrophobicContact CG-CZ 4.47Å
71S86.9Confident85Confident4 Ų443 Ų433%0.02822%0.218CC..EExtended strand (participates in β ladder)trans-85124.2173.9170.60000109.8E73 D74 G75 I76 Q78S71-E73 VanDerWaalsContact C-N 3.3Å; S71-E73 PolarHBondContact OG-N 3.45Å; S71-D74 WeakPolarHBondContact CB-OD2 3.09Å; S71-D74 PolarHBondContact OG-N 3.14Å; S71-D74 PolarHBondContact OG-OD2 2.78Å; S71-G75 VanDerWaalsContact O-CA 3.3Å; S71-G75 WeakPolarHBondContact O-CA 3.45Å; S71-G75 PolarHBondContact O-N 3.4Å; S71-I76 PolarHBondContact N-O 2.81Å; S71-Q78 VanDerWaalsContact CB-NE2 3.28Å
72T82.1Confident84.8Confident4 Ų447.7 Ų47.73%0.02524%0.24CC..THydrogen-bonded Turntrans-76.5-19.6175.960.70000113.1A6 R7 W12 W50 E55 T56 I58 F70A6-T72 CarbonylContact C-O 3.33Å; A6-T72 VanDerWaalsContact CB-O 3.25Å; A6-T72 WeakPolarHBondContact CB-O 3.35Å; R7-T72 PolarHBondContact N-O 2.95Å; W12-T72 HydrophobicContact CH2-CG2 4.47Å; W12-T72 HydrophobicContact CZ2-CG2 3.77Å; W50-T72 HydrophobicContact CZ3-CG2 4.05Å; E55-T72 PolarHBondContact O-OG1 2.95Å; T56-T72 WeakPolarHBondContact CA-OG1 3.36Å; T56-T72 PolarHBondContact O-N 3.29Å; T56-T72 PolarHBondContact O-OG1 3.46Å; I58-T72 HydrophobicContact CD1-CG2 3.55Å; I58-T72 HydrophobicContact CG1-CG2 3.77Å; F70-T72 HydrophobicContact CD1-CG2 4.37Å; F70-T72 HydrophobicContact CE1-CG2 4.32Å
73E79.8Confident84.3Confident108 Ų10847.7 Ų47.751%0.50524%0.24SC..THydrogen-bonded Turntrans-79.2-44.3178.9-59.5-169.8160.800110.8T56 S71T56-E73 WeakPolarHBondContact CG2-OE1 3.46Å; S71-E73 VanDerWaalsContact C-N 3.3Å; S71-E73 PolarHBondContact OG-N 3.45Å
74D77.3Confident83.8Confident73 Ų7348.7 Ų48.739%0.3924%0.244SC..THydrogen-bonded Turntrans-86.3-23.4-179.5-53.1-53.1000112.1A3 S71 I76 Q78A3-D74 VanDerWaalsContact CA-O 3.28Å; A3-D74 WeakPolarHBondContact CA-O 3.4Å; A3-D74 WeakPolarHBondContact CB-O 3.46Å; S71-D74 WeakPolarHBondContact CB-OD2 3.09Å; S71-D74 PolarHBondContact OG-N 3.14Å; S71-D74 PolarHBondContact OG-OD2 2.78Å; D74-I76 VanDerWaalsContact C-N 3.25Å; D74-I76 HydrophobicContact CB-CB 4.38Å; D74-I76 HydrophobicContact CB-CD1 4.46Å; D74-I76 HydrophobicContact CB-CG1 4.49Å; D74-I76 PolarHBondContact O-N 3Å; D74-Q78 PolarHBondContact OD2-NE2 2.93Å
75G80.1Confident82.8Confident7 Ų746.9 Ų46.97%0.07224%0.237CC..THydrogen-bonded Turntrans67.225.8-173.100000113.4A6 F33 S71A6-G75 VanDerWaalsContact CB-CA 3.41Å; F33-G75 WeakPolarHBondContact CD1-O 3.39Å; S71-G75 VanDerWaalsContact O-CA 3.3Å; S71-G75 WeakPolarHBondContact O-CA 3.45Å; S71-G75 PolarHBondContact O-N 3.4Å
76I83.5Confident82.1Confident110 Ų11043.3 Ų43.356%0.56423%0.231SC*.EExtended strand (participates in β ladder)trans-128.1148.6-174.2-60.3166.7000109.7S71 D74 Q78S71-I76 PolarHBondContact N-O 2.81Å; D74-I76 VanDerWaalsContact C-N 3.25Å; D74-I76 HydrophobicContact CB-CB 4.38Å; D74-I76 HydrophobicContact CB-CD1 4.46Å; D74-I76 HydrophobicContact CB-CG1 4.49Å; D74-I76 PolarHBondContact O-N 3Å; I76-Q78 PolarHBondContact O-N 2.8Å
77F84Confident81.8Confident37 Ų3750.3 Ų50.316%0.16226%0.263CS..EExtended strand (participates in β ladder)trans-75.2113.2169.2-71.2-88.5000109.9L20 F33 A35 V60 K68 H69 F70L20-F77 HydrophobicContact CB-CZ 4.27Å; L20-F77 HydrophobicContact CD2-CZ 4.4Å; F33-F77 HydrophobicContact CB-CE2 4.1Å; A35-F77 HydrophobicContact CB-CB 4.14Å; A35-F77 HydrophobicContact CB-CD1 3.93Å; A35-F77 HydrophobicContact CB-CD2 3.74Å; A35-F77 HydrophobicContact CB-CE1 4.24Å; A35-F77 HydrophobicContact CB-CE2 4.08Å; A35-F77 HydrophobicContact CB-CG 3.64Å; A35-F77 HydrophobicContact CB-CZ 4.31Å; A35-F77 VanDerWaalsContact N-CE2 3.34Å; V60-F77 HydrophobicContact CG2-CE1 4.28Å; K68-F77 HydrophobicContact CB-CD1 3.92Å; K68-F77 HydrophobicContact CB-CE1 4.05Å; H69-F77 CarbonylContact O-C 3.48Å; H69-F77 VanDerWaalsContact O-CA 3.32Å; H69-F77 WeakPolarHBondContact O-CA 3.42Å; F70-F77 HydrophobicContact CB-CD1 4Å; F70-F77 HydrophobicContact CB-CE1 3.93Å; F70-F77 HydrophobicContact CD2-CD1 4.05Å; F70-F77 AromaticContact CD2-CD2 3.85Å; F70-F77 HydrophobicContact CD2-CD2 3.85Å; F70-F77 AromaticContact CD2-CE1 3.97Å; F70-F77 HydrophobicContact CD2-CE1 3.97Å; F70-F77 AromaticContact CD2-CE2 3.73Å; F70-F77 HydrophobicContact CD2-CE2 3.73Å; F70-F77 HydrophobicContact CD2-CG 4.02Å; F70-F77 AromaticContact CD2-CZ 3.81Å; F70-F77 HydrophobicContact CD2-CZ 3.81Å; F70-F77 HydrophobicContact CE2-CD2 4.36Å; F70-F77 HydrophobicContact CE2-CE2 4.15Å; F70-F77 HydrophobicContact CG-CE1 4.34Å; F70-F77 HydrophobicContact CG-CZ 4.47Å
78Q82.3Confident81.5Confident103 Ų10352.2 Ų52.248%0.48128%0.283SS..EExtended strand (participates in β ladder)trans-78.9-26.8-176.9-70-177.4-22.500112.3H69 S71 D74 I76H69-Q78 PolarHBondContact O-N 3.42Å; S71-Q78 VanDerWaalsContact CB-NE2 3.28Å; D74-Q78 PolarHBondContact OD2-NE2 2.93Å; I76-Q78 PolarHBondContact O-N 2.8Å
79G81Confident81.5Confident36 Ų3655.1 Ų55.137%0.37130%0.298SS..EExtended strand (participates in β ladder)trans-175.3172.2-179.300000113.2H69H69-G79 PolarHBondContact N-O 2.91Å
80Q85.6Confident81.6Confident138 Ų13853.9 Ų53.965%0.64529%0.292SS*.EExtended strand (participates in β ladder)trans-137.3142.2172.264.5-176.2-9.100109.6V67 K68V67-Q80 WeakPolarHBondContact O-CA 3.36Å; K68-Q80 HydrophobicContact CG-CB 4.02Å
81R82.1Confident81.7Confident51 Ų5157 Ų5719%0.19230%0.304CS..EExtended strand (participates in β ladder)trans-118.1129.6174.6-172.8-179.1-170.7159.910.9109.3T66 V67 H113T66-R81 CarbonylContact C-O 3.59Å; T66-R81 VanDerWaalsContact CA-O 3.28Å; T66-R81 WeakPolarHBondContact CA-O 3.46Å; V67-R81 PolarHBondContact N-O 2.96Å; V67-R81 PolarHBondContact O-N 2.82Å; R81-H113 PolarHBondContact NH1-O 3.44Å; R81-H113 PolarHBondContact NH2-O 2.68Å
82H84.1Confident81.7Confident99 Ų9957 Ų5746%0.45830%0.304SS..EExtended strand (participates in β ladder)trans-85.7119.8169.3-168.562.1000109.2P84H82-P84 WeakPolarHBondContact O-CD 3.41Å
83C80.4Confident82.1Confident2 Ų257.5 Ų57.51%0.01431%0.307CS..  trans-109.486.7177.8-690000107.6R65 F90 W112R65-C83 PolarHBondContact O-N 2.97Å; C83-F90 HydrophobicContact CB-CZ 4.2Å; C83-W112 HydrophobicContact CB-CH2 4.37Å; C83-W112 HydrophobicContact CB-CZ2 3.61Å
84P76.4Confident82.5Confident48 Ų4852.5 Ų52.531%0.31228%0.284SS..  trans-60.9152.6172.527.5-33.3000108.7H82 R110 W112H82-P84 WeakPolarHBondContact O-CD 3.41Å; P84-R110 PolarHBondContact O-NH1 3.42Å; P84-W112 HydrophobicContact CG-CH2 4.23Å; P84-W112 WeakPolarHBondContact O-CH2 3.24Å; P84-W112 WeakPolarHBondContact O-CZ2 3.41Å
85G63.8Low82.9Confident10 Ų1049.6 Ų49.610%0.10327%0.268CS..  trans148.9112.2175.600000112.5V104 R110G85-V104 WeakPolarHBondContact O-CG2 3.46Å; G85-R110 VanDerWaalsContact CA-CZ 3.48Å
86G71.4Confident82.9Confident26 Ų2650.3 Ų50.327%0.26827%0.271SS..SBendtrans67.7-172.6175.500000116.2S106G86-S106 WeakPolarHBondContact CA-OG 3.19Å
87E81.6Confident82.3Confident160 Ų16052 Ų5275%0.74828%0.281SS*.SBendtrans-115137.7-179.5-66.7-173.8171.500110.6V104 S106E87-V104 WeakPolarHBondContact O-CG1 3.36Å; E87-S106 PolarHBondContact N-OG 3.24Å; E87-S106 VanDerWaalsContact N-OG 3.16Å; E87-S106 VanDerWaalsContact O-CB 3.23Å; E87-S106 WeakPolarHBondContact O-CB 3.49Å; E87-S106 PolarHBondContact O-N 2.79Å; E87-S106 VanDerWaalsContact O-N 3.15Å; E87-S106 PolarHBondContact O-OG 2.77Å
88G83.2Confident81.9Confident40 Ų4051 Ų5141%0.41228%0.281SS..SBendtrans108.9-173.1176.900000114.4
89I88.9Confident82.1Confident70 Ų7047.8 Ų47.836%0.35927%0.269SS..  trans-85.4162-177.661.5174.6000111.7A63 R91 D105A63-I89 HydrophobicContact CB-CG2 3.84Å; I89-R91 PolarHBondContact O-N 2.95Å; I89-D105 PolarHBondContact O-N 3.22Å
90F90.1Very high82.4Confident5 Ų546 Ų462%0.02225%0.251CS..EExtended strand (participates in β ladder)trans-68.7132.1169.8-64.2-63.3000111.1S46 C62 R65 V67 C83 T102 C103 V104S46-F90 WeakPolarHBondContact CB-O 3.25Å; S46-F90 PolarHBondContact OG-O 3.46Å; C62-F90 VanDerWaalsContact O-CD2 3.24Å; C62-F90 WeakPolarHBondContact O-CD2 3.36Å; C62-F90 WeakPolarHBondContact O-CE2 3.25Å; R65-F90 VanDerWaalsContact CA-CE2 3.44Å; R65-F90 HydrophobicContact CB-CE2 4.42Å; R65-F90 HydrophobicContact CB-CZ 4.12Å; V67-F90 HydrophobicContact CG2-CE2 4.14Å; V67-F90 HydrophobicContact CG2-CZ 4.2Å; C83-F90 HydrophobicContact CB-CZ 4.2Å; F90-T102 HydrophobicContact CE1-CG2 4.21Å; F90-C103 WeakPolarHBondContact CA-O 3.44Å; F90-V104 HydrophobicContact CD1-CG2 3.85Å; F90-V104 HydrophobicContact CE1-CG2 3.89Å
91R90.8Very high82.6Confident65 Ų6539.5 Ų39.525%0.24522%0.22CC..EExtended strand (participates in β ladder)trans-112.4-11.2180-64.2-64.9-158.7129.63.7112.8I89 C103 D105 V133 C134 R135 M136I89-R91 PolarHBondContact O-N 2.95Å; R91-C103 PolarHBondContact N-O 2.96Å; R91-D105 HydrophobicContact CG-CB 4.14Å; R91-D105 IonicContact CZ-OD2 3.43Å; R91-D105 IonicContact NE-OD2 3.01Å; R91-D105 PolarHBondContact NE-OD2 3.1Å; R91-D105 IonicContact NH2-OD2 3.24Å; R91-D105 PolarHBondContact NH2-OD2 2.85Å; R91-V133 HydrophobicContact CB-CG1 4.44Å; R91-V133 VanDerWaalsContact CG-O 3.31Å; R91-V133 WeakPolarHBondContact CG-O 3.25Å; R91-C134 WeakPolarHBondContact CD-O 3.46Å; R91-C134 PolarHBondContact NH1-O 3.19Å; R91-R135 WeakPolarHBondContact O-CA 3.25Å; R91-M136 PolarHBondContact O-N 2.93Å
92G87.3Confident83Confident4 Ų437.3 Ų37.34%0.04121%0.212CC..EExtended strand (participates in β ladder)trans-160.8150.4166.700000110.9C103 M136G92-C103 PolarHBondContact O-N 2.9Å; G92-M136 WeakPolarHBondContact O-CE 3.39Å
93L90.6Very high83.4Confident15 Ų1532.6 Ų32.68%0.07919%0.191CC..EExtended strand (participates in β ladder)trans-145.9130.8-179.6-163.9149.5000107.9A47 C49 L59 V67 L100 I101A47-L93 HydrophobicContact CB-CB 4Å; C49-L93 HydrophobicContact CB-CD2 3.61Å; C49-L93 WeakPolarHBondContact CB-O 3.35Å; C49-L93 PolarHBondContact SG-O 3.23Å; C49-L93 VanDerWaalsContact SG-O 3.39Å; L59-L93 HydrophobicContact CB-CD2 3.47Å; L59-L93 VanDerWaalsContact CB-CD2 3.47Å; L59-L93 HydrophobicContact CD1-CD2 3.61Å; L59-L93 HydrophobicContact CG-CD2 4.24Å; V67-L93 HydrophobicContact CB-CD1 4.44Å; V67-L93 HydrophobicContact CG1-CD1 3.91Å; V67-L93 HydrophobicContact CG2-CD1 3.72Å; L93-L100 HydrophobicContact CD2-CD1 4.02Å; L93-L100 HydrophobicContact CG-CD1 4.29Å; L93-I101 WeakPolarHBondContact CA-O 3.28Å
94A88.1Confident84Confident3 Ų332.7 Ų32.73%0.02519%0.191CC..EExtended strand (participates in β ladder)trans-146.7153-179.400000110.2I101 Q138A94-I101 HydrophobicContact CB-CB 4.32Å; A94-I101 HydrophobicContact CB-CD1 4.31Å; A94-I101 PolarHBondContact N-O 2.86Å; A94-I101 PolarHBondContact O-N 2.86Å; A94-Q138 HydrophobicContact CB-CB 3.87Å
95Q86.1Confident84.6Confident13 Ų1332.4 Ų32.46%0.06119%0.187CC..EExtended strand (participates in β ladder)trans-133.8140.1178.2-161.6-172.8-5.200109.3T52 L59 T99 D114T52-Q95 HydrophobicContact CG2-CB 4.22Å; T52-Q95 HydrophobicContact CG2-CG 3.75Å; L59-Q95 HydrophobicContact CD1-CB 3.75Å; L59-Q95 HydrophobicContact CD1-CG 4.04Å; L59-Q95 VanDerWaalsContact CD1-OE1 3.23Å; Q95-T99 CarbonylContact C-O 3.43Å; Q95-T99 WeakPolarHBondContact CA-O 3.32Å; Q95-T99 WeakPolarHBondContact CG-O 3.4Å; Q95-D114 VanDerWaalsContact NE2-CG 3.31Å; Q95-D114 PolarHBondContact NE2-OD1 2.93Å; Q95-D114 PolarHBondContact NE2-OD2 3.13Å
96T79.1Confident85.8Confident21 Ų2133.9 Ų33.913%0.12920%0.196CC..EExtended strand (participates in β ladder)trans-151.8125.6-178.7-68.70000110G98 T99 Q138 P143T96-G98 PolarHBondContact O-N 3.04Å; T96-T99 PolarHBondContact N-O 3.47Å; T96-T99 WeakPolarHBondContact O-CA 3.39Å; T96-T99 PolarHBondContact O-N 2.74Å; T96-T99 PolarHBondContact O-OG1 2.88Å; T96-Q138 PolarHBondContact OG1-NE2 3.33Å; T96-Q138 PolarHBondContact OG1-OE1 2.89Å; T96-P143 HydrophobicContact CG2-CB 3.23Å; T96-P143 HydrophobicContact CG2-CG 4.2Å
97D71Confident86.6Confident146 Ų14632.8 Ų32.878%0.78118%0.184SC*.THydrogen-bonded Turntrans37.351.1169.1-57.7-19000114.7T52T52-D97 VanDerWaalsContact CG2-N 3.27Å
98G75.6Confident87Confident15 Ų1526.5 Ų26.516%0.15516%0.156CC..THydrogen-bonded Turntrans78.220.917900000114.6T96 H113 D114T96-G98 PolarHBondContact O-N 3.04Å; G98-H113 PolarHBondContact O-ND1 3.35Å; G98-D114 WeakPolarHBondContact O-CA 3.2Å; G98-D114 WeakPolarHBondContact O-CB 3.03Å; G98-D114 PolarHBondContact O-N 3.24Å
99T86Confident87.3Confident36 Ų3624.6 Ų24.622%0.22114%0.136CC..EExtended strand (participates in β ladder)trans-125.2141168.764.30000111Q95 T96 V111 W112 L124Q95-T99 CarbonylContact C-O 3.43Å; Q95-T99 WeakPolarHBondContact CA-O 3.32Å; Q95-T99 WeakPolarHBondContact CG-O 3.4Å; T96-T99 PolarHBondContact N-O 3.47Å; T96-T99 WeakPolarHBondContact O-CA 3.39Å; T96-T99 PolarHBondContact O-N 2.74Å; T96-T99 PolarHBondContact O-OG1 2.88Å; T99-V111 HydrophobicContact CG2-CG1 4.46Å; T99-W112 CarbonylContact C-O 3.57Å; T99-W112 WeakPolarHBondContact CA-O 3.47Å; T99-L124 HydrophobicContact CG2-CD1 4.29Å
100L88.1Confident87.4Confident0 Ų023.3 Ų23.30%013%0.127CC..EExtended strand (participates in β ladder)trans-110.7126.7176.8170.769.4000108.8L59 V67 L93 T102 V111 W112L59-L100 HydrophobicContact CD1-CD1 3.56Å; V67-L100 HydrophobicContact CB-CD2 4.26Å; V67-L100 HydrophobicContact CG1-CD1 4.42Å; V67-L100 HydrophobicContact CG1-CD2 4.18Å; V67-L100 HydrophobicContact CG2-CD2 4.22Å; L93-L100 HydrophobicContact CD2-CD1 4.02Å; L93-L100 HydrophobicContact CG-CD1 4.29Å; L100-T102 HydrophobicContact CD1-CG2 4.49Å; L100-T102 HydrophobicContact CD2-CG2 4.22Å; L100-T102 HydrophobicContact CG-CG2 4.05Å; L100-V111 CarbonylContact O-C 3.56Å; L100-V111 WeakPolarHBondContact O-CA 3.37Å; L100-W112 HydrophobicContact CB-CB 4.19Å; L100-W112 PolarHBondContact N-O 2.85Å; L100-W112 VanDerWaalsContact O-CD1 3.32Å; L100-W112 PolarHBondContact O-N 2.96Å
101I90.3Very high87.3Confident1 Ų123.7 Ų23.71%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-109.7124.8179.2-52.5155.9000108.2L93 A94 L109 V111 M136 V146 L160L93-I101 WeakPolarHBondContact CA-O 3.28Å; A94-I101 HydrophobicContact CB-CB 4.32Å; A94-I101 HydrophobicContact CB-CD1 4.31Å; A94-I101 PolarHBondContact N-O 2.86Å; A94-I101 PolarHBondContact O-N 2.86Å; I101-L109 HydrophobicContact CG2-CD1 4.36Å; I101-L109 HydrophobicContact CG2-CD2 3.93Å; I101-L109 HydrophobicContact CG2-CG 4.16Å; I101-V111 HydrophobicContact CG1-CG1 4.4Å; I101-V111 HydrophobicContact CG1-CG2 4.32Å; I101-M136 HydrophobicContact CB-CE 4.5Å; I101-M136 HydrophobicContact CG2-CE 3.74Å; I101-V146 HydrophobicContact CD1-CG1 4.19Å; I101-V146 HydrophobicContact CG2-CG1 4.46Å; I101-L160 HydrophobicContact CD1-CD1 3.35Å; I101-L160 HydrophobicContact CG1-CD1 3.8Å; I101-L160 HydrophobicContact CG2-CD1 4.39Å
102T90.9Very high87.1Confident4 Ų420.6 Ų20.63%0.02512%0.118CC..EExtended strand (participates in β ladder)trans-123.8140.9179.959.10000110V67 F90 L100 L109 R110 W112V67-T102 HydrophobicContact CG2-CG2 4.17Å; F90-T102 HydrophobicContact CE1-CG2 4.21Å; L100-T102 HydrophobicContact CD1-CG2 4.49Å; L100-T102 HydrophobicContact CD2-CG2 4.22Å; L100-T102 HydrophobicContact CG-CG2 4.05Å; T102-L109 CarbonylContact O-C 3.55Å; T102-L109 WeakPolarHBondContact O-CA 3.31Å; T102-R110 PolarHBondContact N-O 2.99Å; T102-R110 PolarHBondContact O-N 3.16Å; T102-R110 PolarHBondContact OG1-O 2.89Å; T102-W112 PolarHBondContact OG1-NE1 2.93Å
103C91.3Very high86.9Confident0 Ų023.8 Ų23.80%013%0.131CC..EExtended strand (participates in β ladder)trans-133.2132.4173.9-176.70000110.7F90 R91 G92 L109 M136F90-C103 WeakPolarHBondContact CA-O 3.44Å; R91-C103 PolarHBondContact N-O 2.96Å; G92-C103 PolarHBondContact O-N 2.9Å; C103-L109 HydrophobicContact CB-CD1 4.46Å; C103-L109 HydrophobicContact CB-CG 4.49Å; C103-M136 HydrophobicContact CB-CB 3.66Å; C103-M136 HydrophobicContact CB-CE 3.41Å; C103-M136 VanDerWaalsContact CB-CE 3.41Å; C103-M136 HydrophobicContact CB-CG 3.94Å
104V92.3Very high85.9Confident4 Ų424.6 Ų24.62%0.02414%0.135CC..EExtended strand (participates in β ladder)trans-110.4152.7-176.9-175.10000110.2G85 E87 F90 S106 G107 I108G85-V104 WeakPolarHBondContact O-CG2 3.46Å; E87-V104 WeakPolarHBondContact O-CG1 3.36Å; F90-V104 HydrophobicContact CD1-CG2 3.85Å; F90-V104 HydrophobicContact CE1-CG2 3.89Å; V104-S106 PolarHBondContact O-N 2.79Å; V104-G107 PolarHBondContact O-N 2.89Å; V104-I108 PolarHBondContact N-O 3.42Å; V104-I108 VanDerWaalsContact N-O 3.08Å
105D90Very high84.8Confident43 Ų4329.5 Ų29.523%0.2316%0.162CC..THydrogen-bonded Turntrans-51.7-37.5-179.9-158-21.7000113.6I89 R91 G107 G132 V133I89-D105 PolarHBondContact O-N 3.22Å; R91-D105 HydrophobicContact CG-CB 4.14Å; R91-D105 IonicContact CZ-OD2 3.43Å; R91-D105 IonicContact NE-OD2 3.01Å; R91-D105 PolarHBondContact NE-OD2 3.1Å; R91-D105 IonicContact NH2-OD2 3.24Å; R91-D105 PolarHBondContact NH2-OD2 2.85Å; D105-G107 PolarHBondContact O-N 3.46Å; D105-G132 PolarHBondContact O-N 2.94Å; D105-V133 PolarHBondContact O-N 3.16Å; D105-V133 VanDerWaalsContact O-N 3.14Å
106S89.3Confident83.4Confident41 Ų4135.2 Ų35.229%0.28719%0.192SC..THydrogen-bonded Turntrans-61.8-6.717566.10000114.6G86 E87 V104G86-S106 WeakPolarHBondContact CA-OG 3.19Å; E87-S106 PolarHBondContact N-OG 3.24Å; E87-S106 VanDerWaalsContact N-OG 3.16Å; E87-S106 VanDerWaalsContact O-CB 3.23Å; E87-S106 WeakPolarHBondContact O-CB 3.49Å; E87-S106 PolarHBondContact O-N 2.79Å; E87-S106 VanDerWaalsContact O-N 3.15Å; E87-S106 PolarHBondContact O-OG 2.77Å; V104-S106 PolarHBondContact O-N 2.79Å
107G87.4Confident82.2Confident2 Ų243.1 Ų43.12%0.02123%0.225CC..SBendtrans88.221.3175.900000114.4V104 D105 V129 G130V104-G107 PolarHBondContact O-N 2.89Å; D105-G107 PolarHBondContact O-N 3.46Å; G107-V129 PolarHBondContact O-N 3.14Å; G107-G130 WeakPolarHBondContact CA-O 3.42Å
108I90.8Very high80.9Confident29 Ų2943.9 Ų43.915%0.14923%0.229CC..EExtended strand (participates in β ladder)trans-97.5122.8173.1-67.6165.6000107.5V104 R110 E126V104-I108 PolarHBondContact N-O 3.42Å; V104-I108 VanDerWaalsContact N-O 3.08Å; I108-R110 HydrophobicContact CG2-CG 3.92Å; I108-E126 HydrophobicContact CG2-CG 4.02Å
109L90.1Very high79.8Confident0 Ų047.9 Ų47.90%025%0.25CS..EExtended strand (participates in β ladder)trans-107.7125.5171.1-174.5152.1000107.9I101 T102 C103 V111 E126 L127 V129 M136 V146 T148 L160I101-L109 HydrophobicContact CG2-CD1 4.36Å; I101-L109 HydrophobicContact CG2-CD2 3.93Å; I101-L109 HydrophobicContact CG2-CG 4.16Å; T102-L109 CarbonylContact O-C 3.55Å; T102-L109 WeakPolarHBondContact O-CA 3.31Å; C103-L109 HydrophobicContact CB-CD1 4.46Å; C103-L109 HydrophobicContact CB-CG 4.49Å; L109-V111 HydrophobicContact CD2-CG2 4.16Å; L109-E126 WeakPolarHBondContact O-CA 3.18Å; L109-L127 HydrophobicContact CB-CB 4.38Å; L109-L127 HydrophobicContact CD2-CD1 4.43Å; L109-L127 PolarHBondContact N-O 3.07Å; L109-L127 PolarHBondContact O-N 3.34Å; L109-V129 HydrophobicContact CB-CG2 3.76Å; L109-V129 HydrophobicContact CD1-CG2 4.4Å; L109-M136 HydrophobicContact CD1-CE 4.43Å; L109-M136 HydrophobicContact CD1-CG 4.16Å; L109-V146 HydrophobicContact CD1-CG2 3.76Å; L109-T148 HydrophobicContact CD1-CG2 4.19Å; L109-L160 HydrophobicContact CD2-CD2 3.77Å
110R89.8Confident78.2Confident43 Ų4349.5 Ų49.516%0.16226%0.264CS..EExtended strand (participates in β ladder)trans-122.2134.7178.4-76178.3179.2-166.8-1.8110.5P84 G85 T102 I108 W112 P123 L125 E126P84-R110 PolarHBondContact O-NH1 3.42Å; G85-R110 VanDerWaalsContact CA-CZ 3.48Å; T102-R110 PolarHBondContact N-O 2.99Å; T102-R110 PolarHBondContact O-N 3.16Å; T102-R110 PolarHBondContact OG1-O 2.89Å; I108-R110 HydrophobicContact CG2-CG 3.92Å; R110-W112 HydrophobicContact CB-CZ2 3.92Å; R110-W112 HydrophobicContact CG-CZ2 4.36Å; R110-P123 HydrophobicContact CB-CB 4.06Å; R110-P123 HydrophobicContact CG-CB 3.96Å; R110-P123 HydrophobicContact CG-CG 4.31Å; R110-L125 VanDerWaalsContact CA-O 3.3Å; R110-L125 WeakPolarHBondContact CA-O 3.27Å; R110-E126 HydrophobicContact CG-CB 4.35Å; R110-E126 HydrophobicContact CG-CG 4.31Å; R110-E126 IonicContact CZ-OE2 3.65Å; R110-E126 IonicContact NE-OE2 2.8Å; R110-E126 PolarHBondContact NE-OE2 3.06Å; R110-E126 IonicContact NH2-OE2 2.81Å; R110-E126 PolarHBondContact NH2-OE2 3.29Å
111V88.9Confident76.9Confident12 Ų1253.7 Ų53.77%0.07329%0.293CS..EExtended strand (participates in β ladder)trans-102.1132.2169.9-172.90000108T99 L100 I101 L109 P123 L124 L125 L160T99-V111 HydrophobicContact CG2-CG1 4.46Å; L100-V111 CarbonylContact O-C 3.56Å; L100-V111 WeakPolarHBondContact O-CA 3.37Å; I101-V111 HydrophobicContact CG1-CG1 4.4Å; I101-V111 HydrophobicContact CG1-CG2 4.32Å; L109-V111 HydrophobicContact CD2-CG2 4.16Å; V111-P123 CarbonylContact O-C 3.58Å; V111-P123 WeakPolarHBondContact O-CA 3.49Å; V111-L124 PolarHBondContact O-N 2.81Å; V111-L125 HydrophobicContact CB-CB 4.12Å; V111-L125 HydrophobicContact CG2-CB 4.13Å; V111-L125 HydrophobicContact CG2-CD2 4.3Å; V111-L125 PolarHBondContact N-O 2.77Å; V111-L160 HydrophobicContact CG2-CD1 4.11Å; V111-L160 HydrophobicContact CG2-CD2 3.83Å; V111-L160 HydrophobicContact CG2-CG 4.43Å
112W86.6Confident75.8Confident1 Ų158.6 Ų58.60%0.00432%0.319CS..EExtended strand (participates in β ladder)trans-122.9147.4-176-52.591.9000109.6C83 P84 T99 L100 T102 R110 S121 P123C83-W112 HydrophobicContact CB-CH2 4.37Å; C83-W112 HydrophobicContact CB-CZ2 3.61Å; P84-W112 HydrophobicContact CG-CH2 4.23Å; P84-W112 WeakPolarHBondContact O-CH2 3.24Å; P84-W112 WeakPolarHBondContact O-CZ2 3.41Å; T99-W112 CarbonylContact C-O 3.57Å; T99-W112 WeakPolarHBondContact CA-O 3.47Å; L100-W112 HydrophobicContact CB-CB 4.19Å; L100-W112 PolarHBondContact N-O 2.85Å; L100-W112 VanDerWaalsContact O-CD1 3.32Å; L100-W112 PolarHBondContact O-N 2.96Å; T102-W112 PolarHBondContact OG1-NE1 2.93Å; R110-W112 HydrophobicContact CB-CZ2 3.92Å; R110-W112 HydrophobicContact CG-CZ2 4.36Å; W112-S121 WeakPolarHBondContact CZ3-O 3.17Å; W112-P123 HydrophobicContact CD2-CB 4.45Å; W112-P123 HydrophobicContact CE3-CB 4.19Å; W112-P123 HydrophobicContact CH2-CB 4.31Å; W112-P123 HydrophobicContact CZ3-CB 4.11Å
113H82.1Confident75.2Confident70 Ų7060.2 Ų60.232%0.32433%0.329SS..EExtended strand (participates in β ladder)trans-77.3130.4169.8-157.857.1000110R81 G98 N115 L124R81-H113 PolarHBondContact NH1-O 3.44Å; R81-H113 PolarHBondContact NH2-O 2.68Å; G98-H113 PolarHBondContact O-ND1 3.35Å; H113-N115 VanDerWaalsContact C-N 3.31Å; H113-N115 PolarHBondContact NE2-ND2 2.93Å; H113-N115 VanDerWaalsContact NE2-ND2 3.12Å; H113-N115 PolarHBondContact O-N 3.04Å; H113-L124 HydrophobicContact CB-CD1 3.97Å; H113-L124 HydrophobicContact CB-CG 4.34Å
114D69.3Low74.7Confident32 Ų3265.4 Ų65.417%0.17136%0.357CS..  trans-81.3-4.5-173.3-167.541.1000113.6H69 Q95 G98 D116H69-D114 IonicContact CE1-OD1 3.61Å; Q95-D114 VanDerWaalsContact NE2-CG 3.31Å; Q95-D114 PolarHBondContact NE2-OD1 2.93Å; Q95-D114 PolarHBondContact NE2-OD2 3.13Å; G98-D114 WeakPolarHBondContact O-CA 3.2Å; G98-D114 WeakPolarHBondContact O-CB 3.03Å; G98-D114 PolarHBondContact O-N 3.24Å; D114-D116 PolarHBondContact O-N 3.02Å
115N64.8Low74.3Confident107 Ų10767.2 Ų67.257%0.57237%0.366SS*.  trans-68.7130.8-178.6-78.2-14.9000113H113H113-N115 VanDerWaalsContact C-N 3.31Å; H113-N115 PolarHBondContact NE2-ND2 2.93Å; H113-N115 VanDerWaalsContact NE2-ND2 3.12Å; H113-N115 PolarHBondContact O-N 3.04Å
116D56.8Low74.2Confident133 Ų13368.2 Ų68.271%0.71137%0.369SS*.  trans-55.1131.6-177.3-101.6-38.3000114D114 N118D114-D116 PolarHBondContact O-N 3.02Å; D116-N118 PolarHBondContact O-N 3.22Å
117K53.8Low74.1Confident187 Ų18766.5 Ų66.581%0.81336%0.357SS*.SBendtrans74.9-11.8146.3-65179.4-178.4173.60121.3
118N45.4Very low74.2Confident162 Ų16275.7 Ų75.787%0.86639%0.391SS*.SBendtrans-151.115.9-177.5-133.321.1000118.2D116D116-N118 PolarHBondContact O-N 3.22Å
119T51.3Low73.9Confident98 Ų9874.3 Ų74.360%0.60138%0.384SS*.SBendtrans-111.2135.8175.1-450000108.9
120S53.3Low73.7Confident71 Ų7175.4 Ų75.450%0.49740%0.395SS..  trans-30.8141-170.442.70000115.2D122S120-D122 WeakPolarHBondContact CB-OD2 3.44Å; S120-D122 PolarHBondContact O-N 3.17Å
121S59.7Low73.7Confident87 Ų8778.2 Ų78.261%0.60842%0.419SS*.SBendtrans-64.119.6168.955.90000113.7W112W112-S121 WeakPolarHBondContact CZ3-O 3.17Å
122D67.7Low73.6Confident104 Ų10478.7 Ų78.756%0.55643%0.426SS*.  trans-97.5130.4-174.8-61.5-30.5000108.4S120S120-D122 WeakPolarHBondContact CB-OD2 3.44Å; S120-D122 PolarHBondContact O-N 3.17Å
123P78.7Confident73.9Confident38 Ų3878.6 Ų78.625%0.24743%0.426CS..  trans-67.1142175.829.6-33.9000109.8R110 V111 W112 L125R110-P123 HydrophobicContact CB-CB 4.06Å; R110-P123 HydrophobicContact CG-CB 3.96Å; R110-P123 HydrophobicContact CG-CG 4.31Å; V111-P123 CarbonylContact O-C 3.58Å; V111-P123 WeakPolarHBondContact O-CA 3.49Å; W112-P123 HydrophobicContact CD2-CB 4.45Å; W112-P123 HydrophobicContact CE3-CB 4.19Å; W112-P123 HydrophobicContact CH2-CB 4.31Å; W112-P123 HydrophobicContact CZ3-CB 4.11Å; P123-L125 PolarHBondContact O-N 3.31Å
124L81.1Confident74.4Confident109 Ų10975.8 Ų75.857%0.57141%0.414SS*.SBendtrans-64.6-35.6172.3-68.6173.4000111.2T99 V111 H113T99-L124 HydrophobicContact CG2-CD1 4.29Å; V111-L124 PolarHBondContact O-N 2.81Å; H113-L124 HydrophobicContact CB-CD1 3.97Å; H113-L124 HydrophobicContact CB-CG 4.34Å
125L82.9Confident75.5Confident43 Ų4377 Ų7723%0.22542%0.416CS..EExtended strand (participates in β ladder)trans-147.1136-178.9-177.765.9000109.3R110 V111 P123 L127 L160R110-L125 VanDerWaalsContact CA-O 3.3Å; R110-L125 WeakPolarHBondContact CA-O 3.27Å; V111-L125 HydrophobicContact CB-CB 4.12Å; V111-L125 HydrophobicContact CG2-CB 4.13Å; V111-L125 HydrophobicContact CG2-CD2 4.3Å; V111-L125 PolarHBondContact N-O 2.77Å; P123-L125 PolarHBondContact O-N 3.31Å; L125-L127 HydrophobicContact CD1-CD2 4.02Å; L125-L127 HydrophobicContact CD1-CG 4.37Å; L125-L127 HydrophobicContact CD2-CD1 3.86Å; L125-L127 HydrophobicContact CD2-CD2 4.16Å; L125-L127 HydrophobicContact CD2-CG 3.83Å; L125-L127 HydrophobicContact CG-CD1 4.48Å; L125-L127 HydrophobicContact CG-CD2 4.12Å; L125-L127 HydrophobicContact CG-CG 3.9Å; L125-L160 HydrophobicContact CD2-CD2 4.27Å
126E88.1Confident76.9Confident63 Ų6372 Ų7229%0.29439%0.389SS..EExtended strand (participates in β ladder)trans-119.5117.1168.5178.7172.4129.600109.2I108 L109 R110I108-E126 HydrophobicContact CG2-CG 4.02Å; L109-E126 WeakPolarHBondContact O-CA 3.18Å; R110-E126 HydrophobicContact CG-CB 4.35Å; R110-E126 HydrophobicContact CG-CG 4.31Å; R110-E126 IonicContact CZ-OE2 3.65Å; R110-E126 IonicContact NE-OE2 2.8Å; R110-E126 PolarHBondContact NE-OE2 3.06Å; R110-E126 IonicContact NH2-OE2 2.81Å; R110-E126 PolarHBondContact NH2-OE2 3.29Å
127L87.3Confident78.6Confident5 Ų568.8 Ų68.83%0.02637%0.367CS..EExtended strand (participates in β ladder)trans-111.7134.3175.7-63.8179.2000110.7L109 L125 V129 W158 L160 E164L109-L127 HydrophobicContact CB-CB 4.38Å; L109-L127 HydrophobicContact CD2-CD1 4.43Å; L109-L127 PolarHBondContact N-O 3.07Å; L109-L127 PolarHBondContact O-N 3.34Å; L125-L127 HydrophobicContact CD1-CD2 4.02Å; L125-L127 HydrophobicContact CD1-CG 4.37Å; L125-L127 HydrophobicContact CD2-CD1 3.86Å; L125-L127 HydrophobicContact CD2-CD2 4.16Å; L125-L127 HydrophobicContact CD2-CG 3.83Å; L125-L127 HydrophobicContact CG-CD1 4.48Å; L125-L127 HydrophobicContact CG-CD2 4.12Å; L125-L127 HydrophobicContact CG-CG 3.9Å; L127-V129 PolarHBondContact O-N 3.34Å; L127-W158 HydrophobicContact CD1-CB 4.39Å; L127-W158 HydrophobicContact CD1-CE3 4.25Å; L127-L160 HydrophobicContact CD1-CD2 4.03Å; L127-E164 HydrophobicContact CD2-CB 4.24Å; L127-E164 HydrophobicContact CD2-CG 4.26Å
128R89.2Confident80.4Confident196 Ų19661.8 Ų61.874%0.7434%0.337SS*.EExtended strand (participates in β ladder)trans-94.894.3175.3-67-174.9177.9-144.9-0.6110.3G130R128-G130 VanDerWaalsContact C-N 3.3Å; R128-G130 PolarHBondContact O-N 3Å
129V85.8Confident82.6Confident0 Ų054.7 Ų54.70%030%0.299CS..  trans-78.7-16.2-176.3-179.90000112.7G107 L109 L127 V133 T148 N153 K156 W158G107-V129 PolarHBondContact O-N 3.14Å; L109-V129 HydrophobicContact CB-CG2 3.76Å; L109-V129 HydrophobicContact CD1-CG2 4.4Å; L127-V129 PolarHBondContact O-N 3.34Å; V129-V133 HydrophobicContact CG1-CG2 4.12Å; V129-T148 VanDerWaalsContact CG1-CB 3.44Å; V129-T148 HydrophobicContact CG1-CG2 3.79Å; V129-T148 WeakPolarHBondContact CG1-OG1 3.39Å; V129-T148 HydrophobicContact CG2-CG2 4.32Å; V129-N153 PolarHBondContact O-ND2 3.01Å; V129-K156 PolarHBondContact O-NZ 2.72Å; V129-W158 HydrophobicContact CB-CZ2 4.09Å; V129-W158 HydrophobicContact CG1-CZ2 3.99Å; V129-W158 HydrophobicContact CG2-CZ2 4.03Å
130G85Confident84.2Confident22 Ų2255.1 Ų55.123%0.22730%0.304CS..  trans98.4150.8-178.700000112.3G107 R128 V133 N153G107-G130 WeakPolarHBondContact CA-O 3.42Å; R128-G130 VanDerWaalsContact C-N 3.3Å; R128-G130 PolarHBondContact O-N 3Å; G130-V133 WeakPolarHBondContact O-CG2 3.07Å; G130-N153 PolarHBondContact O-ND2 3.2Å; G130-N153 VanDerWaalsContact O-ND2 3.13Å
131P89.1Confident85.7Confident102 Ų10254.8 Ų54.866%0.66231%0.306SS*.SBendtrans-67.6158.2-167.928.9-36.3000113.2
132G88.3Confident87Confident22 Ų2253.9 Ų53.923%0.22729%0.292CS..  trans78.431171.200000114D105 C134 G150 K151D105-G132 PolarHBondContact O-N 2.94Å; G132-C134 PolarHBondContact O-N 3.41Å; G132-G150 CarbonylContact O-C 3.58Å; G132-G150 WeakPolarHBondContact O-CA 3.35Å; G132-K151 PolarHBondContact O-N 3.36Å
133V92.7Very high87.8Confident0 Ų051.2 Ų51.20%028%0.28CS..EExtended strand (participates in β ladder)trans-65.3124.4177.2178.30000108.7R91 D105 V129 G130R91-V133 HydrophobicContact CB-CG1 4.44Å; R91-V133 VanDerWaalsContact CG-O 3.31Å; R91-V133 WeakPolarHBondContact CG-O 3.25Å; D105-V133 PolarHBondContact O-N 3.16Å; D105-V133 VanDerWaalsContact O-N 3.14Å; V129-V133 HydrophobicContact CG1-CG2 4.12Å; G130-V133 WeakPolarHBondContact O-CG2 3.07Å
134C92.1Very high88.2Confident11 Ų1152.2 Ų52.27%0.07428%0.281CS..EExtended strand (participates in β ladder)trans-94.9-32.1177.5-66.90000111.9R91 G132 G149 D186R91-C134 WeakPolarHBondContact CD-O 3.46Å; R91-C134 PolarHBondContact NH1-O 3.19Å; G132-C134 PolarHBondContact O-N 3.41Å; C134-G149 PolarHBondContact N-O 2.89Å; C134-D186 VanDerWaalsContact CB-O 3.25Å; C134-D186 WeakPolarHBondContact CB-O 3.25Å
135R92.8Very high88.7Confident56 Ų5648 Ų4821%0.21126%0.26CS..EExtended strand (participates in β ladder)trans-148.7144.8177.7-15880.5-176.6-173.21.5112.3R91 R137 G149 Q187 D188R91-R135 WeakPolarHBondContact O-CA 3.25Å; R135-R137 HydrophobicContact CG-CG 4.46Å; R135-R137 VanDerWaalsContact NH2-NH2 3.11Å; R135-G149 PolarHBondContact N-O 2.83Å; R135-G149 PolarHBondContact O-N 3.5Å; R135-Q187 WeakPolarHBondContact CB-O 3.36Å; R135-D188 WeakPolarHBondContact CG-OD1 3.45Å; R135-D188 IonicContact NE-OD1 3.47Å
136M94.1Very high89.1Confident4 Ų446 Ų462%0.0225%0.249CC..EExtended strand (participates in β ladder)trans-123.7139.1162.4174.7-88.2-81.100109.7R91 G92 I101 C103 L109 A147 T148R91-M136 PolarHBondContact O-N 2.93Å; G92-M136 WeakPolarHBondContact O-CE 3.39Å; I101-M136 HydrophobicContact CB-CE 4.5Å; I101-M136 HydrophobicContact CG2-CE 3.74Å; C103-M136 HydrophobicContact CB-CB 3.66Å; C103-M136 HydrophobicContact CB-CE 3.41Å; C103-M136 VanDerWaalsContact CB-CE 3.41Å; C103-M136 HydrophobicContact CB-CG 3.94Å; L109-M136 HydrophobicContact CD1-CE 4.43Å; L109-M136 HydrophobicContact CD1-CG 4.16Å; M136-A147 VanDerWaalsContact CA-O 3.31Å; M136-A147 WeakPolarHBondContact CA-O 3.31Å; M136-T148 HydrophobicContact CB-CG2 4.09Å; M136-T148 HydrophobicContact CG-CG2 3.82Å
137R93.2Very high89.4Confident65 Ų6543 Ų4325%0.24524%0.235CC..EExtended strand (participates in β ladder)trans-133.9149.8173.5-69.9-60.6-170.4161.63.4109.7R135 V146 A147 D188 I189 F191R135-R137 HydrophobicContact CG-CG 4.46Å; R135-R137 VanDerWaalsContact NH2-NH2 3.11Å; R137-V146 CarbonylContact O-C 3.52Å; R137-V146 WeakPolarHBondContact O-CA 3.24Å; R137-A147 PolarHBondContact N-O 2.93Å; R137-A147 PolarHBondContact O-N 2.83Å; R137-D188 IonicContact NE-OD1 2.99Å; R137-D188 IonicContact NH2-OD1 2.84Å; R137-I189 WeakPolarHBondContact CG-O 3.34Å; R137-F191 HydrophobicContact CB-CD2 4.3Å; R137-F191 HydrophobicContact CB-CE2 4.15Å; R137-F191 WeakPolarHBondContact O-CE2 3.42Å
138Q91.7Very high89.8Confident39 Ų3942.8 Ų42.818%0.18223%0.234CC..EExtended strand (participates in β ladder)trans-95149.1170-178.6175.847.200110.1A94 T96 P140 P143 V146 F191A94-Q138 HydrophobicContact CB-CB 3.87Å; T96-Q138 PolarHBondContact OG1-NE2 3.33Å; T96-Q138 PolarHBondContact OG1-OE1 2.89Å; Q138-P140 WeakPolarHBondContact O-CD 3.41Å; Q138-P143 PolarHBondContact NE2-O 3.02Å; Q138-V146 HydrophobicContact CB-CG1 4.33Å; Q138-V146 HydrophobicContact CG-CG1 4.43Å; Q138-F191 VanDerWaalsContact C-CE2 3.44Å; Q138-F191 WeakPolarHBondContact O-CD2 3.49Å
139D90.3Very high90Very high13 Ų1333.4 Ų33.47%0.0720%0.199CC..  trans-73.2121.6170.1-174.60.5000109.9A141 H142 V145 F191D139-A141 PolarHBondContact O-N 2.63Å; D139-A141 PolarHBondContact OD1-N 2.78Å; D139-H142 HydrophobicContact CB-CB 4.41Å; D139-H142 CarbonylContact O-C 3.59Å; D139-H142 PolarHBondContact O-N 3.35Å; D139-H142 IonicContact OD2-CE1 3.34Å; D139-H142 IonicContact OD2-CG 2.87Å; D139-H142 IonicContact OD2-ND1 2.64Å; D139-H142 PolarHBondContact OD2-ND1 3.46Å; D139-V145 HydrophobicContact CB-CB 4.15Å; D139-V145 HydrophobicContact CB-CG1 4.49Å; D139-V145 PolarHBondContact N-O 3.2Å; D139-F191 HydrophobicContact CB-CD1 3.72Å; D139-F191 HydrophobicContact CB-CD2 4.22Å; D139-F191 HydrophobicContact CB-CE1 3.65Å; D139-F191 HydrophobicContact CB-CE2 4.17Å; D139-F191 HydrophobicContact CB-CG 3.99Å; D139-F191 HydrophobicContact CB-CZ 3.87Å
140P84.6Confident90.3Very high108 Ų10833.4 Ų33.470%0.70120%0.199SC*.SBendtrans-61.7-26175-22.634.3000114.1Q138Q138-P140 WeakPolarHBondContact O-CD 3.41Å
141A86.2Confident90.7Very high64 Ų6438 Ų3853%0.52921%0.213SC..SBendtrans-85.1-33-179.800000112.8D139D139-A141 PolarHBondContact O-N 2.63Å; D139-A141 PolarHBondContact OD1-N 2.78Å
142H86.8Confident90.7Very high68 Ų6837.6 Ų37.632%0.31520%0.202SC..  trans-128.793.2-177.1-52.298.8000109.6D139 H144 V145D139-H142 HydrophobicContact CB-CB 4.41Å; D139-H142 CarbonylContact O-C 3.59Å; D139-H142 PolarHBondContact O-N 3.35Å; D139-H142 IonicContact OD2-CE1 3.34Å; D139-H142 IonicContact OD2-CG 2.87Å; D139-H142 IonicContact OD2-ND1 2.64Å; D139-H142 PolarHBondContact OD2-ND1 3.46Å; H142-H144 PolarHBondContact O-N 2.89Å; H142-V145 HydrophobicContact CB-CB 4.22Å; H142-V145 HydrophobicContact CB-CG2 3.83Å; H142-V145 PolarHBondContact O-N 3.17Å
143P84.9Confident90.8Very high48 Ų4837.1 Ų37.131%0.31219%0.194SC..THydrogen-bonded Turntrans-62.8-20.7-173.5-26.636.1000114.8T96 Q138 V145T96-P143 HydrophobicContact CG2-CB 3.23Å; T96-P143 HydrophobicContact CG2-CG 4.2Å; Q138-P143 PolarHBondContact NE2-O 3.02Å; P143-V145 VanDerWaalsContact C-N 3.26Å; P143-V145 PolarHBondContact O-N 2.84Å
144H86.8Confident90.8Very high58 Ų5837.7 Ų37.727%0.26920%0.199SC..THydrogen-bonded Turntrans-76.1-12.4174.252.6-81.9000113.1H142 D159 L160 Q161H142-H144 PolarHBondContact O-N 2.89Å; H144-D159 IonicContact CD2-OD1 3.1Å; H144-D159 PolarHBondContact CD2-OD1 2.55Å; H144-D159 VanDerWaalsContact CD2-OD1 3.29Å; H144-D159 IonicContact CG-OD1 3.48Å; H144-L160 VanDerWaalsContact O-CB 3.31Å; H144-L160 WeakPolarHBondContact O-CB 3.24Å; H144-L160 VanDerWaalsContact O-CG 3.24Å; H144-L160 WeakPolarHBondContact O-CG 3.35Å; H144-L160 PolarHBondContact O-N 3.11Å; H144-Q161 HydrophobicContact CB-CG 3.85Å
145V90.8Very high90.8Very high22 Ų2237.2 Ų37.213%0.13320%0.195CC..EExtended strand (participates in β ladder)trans-98.9130.5-177.2-177.30000111D139 H142 P143 W158 F191D139-V145 HydrophobicContact CB-CB 4.15Å; D139-V145 HydrophobicContact CB-CG1 4.49Å; D139-V145 PolarHBondContact N-O 3.2Å; H142-V145 HydrophobicContact CB-CB 4.22Å; H142-V145 HydrophobicContact CB-CG2 3.83Å; H142-V145 PolarHBondContact O-N 3.17Å; P143-V145 VanDerWaalsContact C-N 3.26Å; P143-V145 PolarHBondContact O-N 2.84Å; V145-W158 WeakPolarHBondContact CA-O 3.42Å; V145-F191 HydrophobicContact CG1-CE1 4.38Å; V145-F191 HydrophobicContact CG1-CZ 4.42Å
146V92.6Very high90.9Very high0 Ų035.7 Ų35.70%019%0.19CC..EExtended strand (participates in β ladder)trans-128.3137.3175.9-62.10000111.5I101 L109 R137 Q138 M157 W158 L160I101-V146 HydrophobicContact CD1-CG1 4.19Å; I101-V146 HydrophobicContact CG2-CG1 4.46Å; L109-V146 HydrophobicContact CD1-CG2 3.76Å; R137-V146 CarbonylContact O-C 3.52Å; R137-V146 WeakPolarHBondContact O-CA 3.24Å; Q138-V146 HydrophobicContact CB-CG1 4.33Å; Q138-V146 HydrophobicContact CG-CG1 4.43Å; V146-M157 CarbonylContact O-C 3.59Å; V146-M157 WeakPolarHBondContact O-CA 3.35Å; V146-W158 HydrophobicContact CG2-CB 3.78Å; V146-W158 HydrophobicContact CG2-CG 4.42Å; V146-W158 PolarHBondContact N-O 2.92Å; V146-W158 PolarHBondContact O-N 2.96Å; V146-L160 HydrophobicContact CG1-CD1 3.81Å; V146-L160 HydrophobicContact CG1-CG 4.31Å; V146-L160 HydrophobicContact CG2-CD1 4.48Å; V146-L160 HydrophobicContact CG2-CD2 3.91Å; V146-L160 HydrophobicContact CG2-CG 4.17Å
147A93.9Very high90.8Very high0 Ų036.1 Ų36.10%019%0.193CC..EExtended strand (participates in β ladder)trans-105.5143173.400000110.9M136 R137 L155 K156 I189 F191 L198M136-A147 VanDerWaalsContact CA-O 3.31Å; M136-A147 WeakPolarHBondContact CA-O 3.31Å; R137-A147 PolarHBondContact N-O 2.93Å; R137-A147 PolarHBondContact O-N 2.83Å; A147-L155 HydrophobicContact CB-CD1 4.1Å; A147-K156 CarbonylContact C-O 3.58Å; A147-K156 WeakPolarHBondContact CA-O 2.99Å; A147-I189 HydrophobicContact CB-CG2 3.93Å; A147-F191 HydrophobicContact CB-CE1 4.27Å; A147-F191 HydrophobicContact CB-CE2 3.54Å; A147-F191 HydrophobicContact CB-CZ 3.32Å; A147-L198 HydrophobicContact CB-CD1 4.35Å; A147-L198 HydrophobicContact CB-CD2 4.1Å
148T94.5Very high90.7Very high0 Ų033.6 Ų33.60%018%0.183CC..EExtended strand (participates in β ladder)trans-140147.1-175.257.80000109.7L109 V129 M136 L155 K156 W158L109-T148 HydrophobicContact CD1-CG2 4.19Å; V129-T148 VanDerWaalsContact CG1-CB 3.44Å; V129-T148 HydrophobicContact CG1-CG2 3.79Å; V129-T148 WeakPolarHBondContact CG1-OG1 3.39Å; V129-T148 HydrophobicContact CG2-CG2 4.32Å; M136-T148 HydrophobicContact CB-CG2 4.09Å; M136-T148 HydrophobicContact CG-CG2 3.82Å; T148-L155 CarbonylContact O-C 3.49Å; T148-L155 WeakPolarHBondContact O-CA 3.31Å; T148-K156 PolarHBondContact N-O 2.88Å; T148-K156 PolarHBondContact O-N 2.8Å; T148-K156 PolarHBondContact OG1-O 3.41Å; T148-W158 PolarHBondContact OG1-NE1 2.96Å
149G93.4Very high90.7Very high0 Ų033.7 Ų33.70%019%0.185CC..EExtended strand (participates in β ladder)trans-169.8159.1-179.500000111.6C134 R135 I189C134-G149 PolarHBondContact N-O 2.89Å; R135-G149 PolarHBondContact N-O 2.83Å; R135-G149 PolarHBondContact O-N 3.5Å; G149-I189 VanDerWaalsContact N-CD1 3.28Å
150G93.1Very high90.4Very high0 Ų034.4 Ų34.40%019%0.188CC..EExtended strand (participates in β ladder)trans-174.8-161.1-170.100000115.3G132 N153 W185 D186G132-G150 CarbonylContact O-C 3.58Å; G132-G150 WeakPolarHBondContact O-CA 3.35Å; G150-N153 PolarHBondContact N-O 3.11Å; G150-W185 WeakPolarHBondContact O-CA 3.41Å; G150-D186 VanDerWaalsContact CA-O 3.27Å; G150-D186 WeakPolarHBondContact CA-O 3.17Å; G150-D186 PolarHBondContact N-O 2.9Å; G150-D186 PolarHBondContact O-N 3.07Å
151K92.3Very high90.3Very high118 Ų11836.9 Ų36.951%0.51319%0.191SC..BIsolated β-bridgetrans-79.1121178.3-170.6178.6179.6-178.80109.9G132 N153 W185G132-K151 PolarHBondContact O-N 3.36Å; K151-N153 PolarHBondContact O-N 2.84Å; K151-W185 HydrophobicContact CB-CG 4.24Å; K151-W185 HydrophobicContact CG-CD2 4.43Å; K151-W185 HydrophobicContact CG-CG 4.18Å
152E90.2Very high89.5Confident94 Ų9435.6 Ų35.644%0.43918%0.184SC..SBendtrans55.310.6-171-64.3-60.1129.700114.5R181 I184E152-R181 IonicContact OE2-CZ 3.41Å; E152-R181 VanDerWaalsContact OE2-CZ 3.24Å; E152-R181 IonicContact OE2-NH1 2.9Å; E152-R181 PolarHBondContact OE2-NH1 3.34Å; E152-R181 IonicContact OE2-NH2 3Å; E152-R181 PolarHBondContact OE2-NH2 3.21Å; E152-I184 PolarHBondContact N-O 3.44Å; E152-I184 PolarHBondContact OE1-N 3.1Å
153N90.4Very high88.7Confident11 Ų1136.4 Ų36.46%0.05920%0.197CC..  trans-118.395.8175.7-165.49.7000108V129 G130 G150 K151 K156V129-N153 PolarHBondContact O-ND2 3.01Å; G130-N153 PolarHBondContact O-ND2 3.2Å; G130-N153 VanDerWaalsContact O-ND2 3.13Å; G150-N153 PolarHBondContact N-O 3.11Å; K151-N153 PolarHBondContact O-N 2.84Å; N153-K156 WeakPolarHBondContact OD1-CE 3.49Å; N153-K156 PolarHBondContact OD1-NZ 2.9Å
154A91.3Very high88.3Confident13 Ų1341.2 Ų41.211%0.10722%0.216CC..  trans-60.9156.6178.300000111.4K156 A170 I184A154-K156 PolarHBondContact O-N 2.79Å; A154-A170 HydrophobicContact CB-CB 4.27Å; A154-I184 HydrophobicContact CB-CD1 3.95Å; A154-I184 HydrophobicContact CB-CG2 4.23Å
155L93.8Very high88.3Confident0 Ų045.5 Ų45.50%024%0.235CC..  trans-43.1120.9172.3-179.269.3000112.8A147 T148 F168 A170 D186 I189 L198 T200 Y210A147-L155 HydrophobicContact CB-CD1 4.1Å; T148-L155 CarbonylContact O-C 3.49Å; T148-L155 WeakPolarHBondContact O-CA 3.31Å; L155-F168 HydrophobicContact CD2-CE1 4.45Å; L155-A170 HydrophobicContact CB-CB 3.89Å; L155-A170 WeakPolarHBondContact O-CB 3.43Å; L155-A170 PolarHBondContact O-N 3.47Å; L155-D186 PolarHBondContact N-OD2 3.08Å; L155-D186 VanDerWaalsContact N-OD2 3.12Å; L155-I189 HydrophobicContact CD1-CD1 3.87Å; L155-I189 HydrophobicContact CD1-CG1 4.25Å; L155-I189 HydrophobicContact CD1-CG2 3.82Å; L155-L198 HydrophobicContact CD1-CD1 4.31Å; L155-L198 HydrophobicContact CD2-CB 3.96Å; L155-L198 HydrophobicContact CD2-CD1 3.89Å; L155-L198 HydrophobicContact CG-CD1 4.39Å; L155-T200 HydrophobicContact CB-CG2 4.26Å; L155-T200 HydrophobicContact CD1-CG2 3.99Å; L155-T200 HydrophobicContact CD2-CG2 3.8Å; L155-T200 HydrophobicContact CG-CG2 4.24Å; L155-Y210 HydrophobicContact CD2-CD2 3.41Å; L155-Y210 VanDerWaalsContact CD2-CD2 3.41Å; L155-Y210 HydrophobicContact CD2-CE2 3.96Å; L155-Y210 HydrophobicContact CD2-CG 3.81Å
156K93.6Very high88.1Confident24 Ų2446.6 Ų46.610%0.10424%0.243CC..EExtended strand (participates in β ladder)trans-124.2137.7171.3-66.4171-163.9169.10109.8V129 A147 T148 N153 A154 W158 P166 F168 R169V129-K156 PolarHBondContact O-NZ 2.72Å; A147-K156 CarbonylContact C-O 3.58Å; A147-K156 WeakPolarHBondContact CA-O 2.99Å; T148-K156 PolarHBondContact N-O 2.88Å; T148-K156 PolarHBondContact O-N 2.8Å; T148-K156 PolarHBondContact OG1-O 3.41Å; N153-K156 WeakPolarHBondContact OD1-CE 3.49Å; N153-K156 PolarHBondContact OD1-NZ 2.9Å; A154-K156 PolarHBondContact O-N 2.79Å; K156-W158 HydrophobicContact CB-CZ2 4.15Å; K156-W158 HydrophobicContact CD-CH2 4.44Å; K156-W158 HydrophobicContact CD-CZ2 3.57Å; K156-W158 HydrophobicContact CG-CZ2 4.47Å; K156-P166 HydrophobicContact CB-CB 4.3Å; K156-F168 CarbonylContact C-O 3.41Å; K156-F168 VanDerWaalsContact CA-O 3.25Å; K156-F168 WeakPolarHBondContact CA-O 3.34Å; K156-R169 HydrophobicContact CG-CG 4.24Å
157M93Very high87.9Confident14 Ų1451.1 Ų51.17%0.06927%0.27CS..EExtended strand (participates in β ladder)trans-103.9138.3167.5-54.6-166.8-39.500109.5V146 P166 V167 F168 L198 P212V146-M157 CarbonylContact O-C 3.59Å; V146-M157 WeakPolarHBondContact O-CA 3.35Å; M157-P166 CarbonylContact O-C 3.59Å; M157-P166 VanDerWaalsContact O-CA 3.25Å; M157-P166 WeakPolarHBondContact O-CA 3.39Å; M157-P166 WeakPolarHBondContact O-CB 3.31Å; M157-V167 HydrophobicContact CE-CG1 4.4Å; M157-V167 PolarHBondContact O-N 3.13Å; M157-F168 HydrophobicContact CB-CB 4Å; M157-F168 HydrophobicContact CE-CB 3.57Å; M157-F168 HydrophobicContact CE-CG 4.35Å; M157-F168 HydrophobicContact CG-CB 3.96Å; M157-F168 HydrophobicContact CG-CD1 4.24Å; M157-F168 PolarHBondContact N-O 3.1Å; M157-F168 PolarHBondContact O-N 3.15Å; M157-F168 HydrophobicContact SD-CB 4.31Å; M157-L198 HydrophobicContact CG-CD1 3.55Å; M157-L198 HydrophobicContact SD-CD1 3.28Å; M157-L198 WeakPolarHBondContact SD-CD1 3.49Å; M157-L198 HydrophobicContact SD-CG 4.43Å; M157-P212 HydrophobicContact CE-CB 3.31Å; M157-P212 HydrophobicContact CE-CG 3.82Å; M157-P212 HydrophobicContact SD-CB 3.87Å; M157-P212 HydrophobicContact SD-CG 3.95Å
158W91.5Very high87.8Confident11 Ų1151.6 Ų51.64%0.04227%0.273CS..EExtended strand (participates in β ladder)trans-124.4138.8179.4-5387.6000108.4L127 V129 V145 V146 T148 K156 E164 P166L127-W158 HydrophobicContact CD1-CB 4.39Å; L127-W158 HydrophobicContact CD1-CE3 4.25Å; V129-W158 HydrophobicContact CB-CZ2 4.09Å; V129-W158 HydrophobicContact CG1-CZ2 3.99Å; V129-W158 HydrophobicContact CG2-CZ2 4.03Å; V145-W158 WeakPolarHBondContact CA-O 3.42Å; V146-W158 HydrophobicContact CG2-CB 3.78Å; V146-W158 HydrophobicContact CG2-CG 4.42Å; V146-W158 PolarHBondContact N-O 2.92Å; V146-W158 PolarHBondContact O-N 2.96Å; T148-W158 PolarHBondContact OG1-NE1 2.96Å; K156-W158 HydrophobicContact CB-CZ2 4.15Å; K156-W158 HydrophobicContact CD-CH2 4.44Å; K156-W158 HydrophobicContact CD-CZ2 3.57Å; K156-W158 HydrophobicContact CG-CZ2 4.47Å; W158-E164 WeakPolarHBondContact CZ3-O 3.25Å; W158-P166 HydrophobicContact CD2-CB 4.02Å; W158-P166 HydrophobicContact CE3-CB 3.88Å; W158-P166 HydrophobicContact CH2-CB 3.95Å; W158-P166 HydrophobicContact CH2-CG 4.02Å; W158-P166 HydrophobicContact CZ2-CB 4.05Å; W158-P166 HydrophobicContact CZ2-CG 4.44Å; W158-P166 HydrophobicContact CZ3-CB 3.85Å; W158-P166 HydrophobicContact CZ3-CG 4.11Å
159D90Very high87.6Confident41 Ų4158.4 Ų58.422%0.21930%0.298CS..EExtended strand (participates in β ladder)trans-99.2122.5165.6177.35.9000107.3H144 Q161 G162 V167H144-D159 IonicContact CD2-OD1 3.1Å; H144-D159 PolarHBondContact CD2-OD1 2.55Å; H144-D159 VanDerWaalsContact CD2-OD1 3.29Å; H144-D159 IonicContact CG-OD1 3.48Å; D159-Q161 VanDerWaalsContact C-N 3.29Å; D159-Q161 PolarHBondContact OD1-N 3.07Å; D159-G162 PolarHBondContact O-N 3.18Å; D159-V167 HydrophobicContact CB-CG2 3.58Å
160L84.9Confident87.5Confident28 Ų2858.7 Ų58.715%0.14730%0.301CS..SBendtrans-77.6-15.3-178.1-61.4176.6000112.9I101 L109 V111 L125 L127 H144 V146I101-L160 HydrophobicContact CD1-CD1 3.35Å; I101-L160 HydrophobicContact CG1-CD1 3.8Å; I101-L160 HydrophobicContact CG2-CD1 4.39Å; L109-L160 HydrophobicContact CD2-CD2 3.77Å; V111-L160 HydrophobicContact CG2-CD1 4.11Å; V111-L160 HydrophobicContact CG2-CD2 3.83Å; V111-L160 HydrophobicContact CG2-CG 4.43Å; L125-L160 HydrophobicContact CD2-CD2 4.27Å; L127-L160 HydrophobicContact CD1-CD2 4.03Å; H144-L160 VanDerWaalsContact O-CB 3.31Å; H144-L160 WeakPolarHBondContact O-CB 3.24Å; H144-L160 VanDerWaalsContact O-CG 3.24Å; H144-L160 WeakPolarHBondContact O-CG 3.35Å; H144-L160 PolarHBondContact O-N 3.11Å; V146-L160 HydrophobicContact CG1-CD1 3.81Å; V146-L160 HydrophobicContact CG1-CG 4.31Å; V146-L160 HydrophobicContact CG2-CD1 4.48Å; V146-L160 HydrophobicContact CG2-CD2 3.91Å; V146-L160 HydrophobicContact CG2-CG 4.17Å
161Q82.7Confident87.4Confident161 Ų16164.7 Ų64.775%0.75233%0.327SS*.SBendtrans-91-19.6172.5-66-180-2.400112H144 D159H144-Q161 HydrophobicContact CB-CG 3.85Å; D159-Q161 VanDerWaalsContact C-N 3.29Å; D159-Q161 PolarHBondContact OD1-N 3.07Å
162G69.3Low87.3Confident37 Ų3760.5 Ų60.538%0.38131%0.31SS..SBendtrans-90.8-172.6-174.900000114.6D159D159-G162 PolarHBondContact O-N 3.18Å
163S69.3Low87.2Confident85 Ų8557 Ų5759%0.59430%0.295SS*.  trans-53.1160.5175.8-175.70000112.9E165S163-E165 PolarHBondContact O-N 2.8Å
164E77.1Confident87.2Confident149 Ų14965.6 Ų65.670%0.69633%0.326SS*.SBendtrans-63.50.6173-62.2-175.117100114.2L127 W158L127-E164 HydrophobicContact CD2-CB 4.24Å; L127-E164 HydrophobicContact CD2-CG 4.26Å; W158-E164 WeakPolarHBondContact CZ3-O 3.25Å
165E85.8Confident87.1Confident147 Ų14768.5 Ų68.569%0.68734%0.34SS*.SBendtrans-94.8144.8178.5-65.4-166.4161.700112.4S163 V167S163-E165 PolarHBondContact O-N 2.8Å; E165-V167 PolarHBondContact O-N 3.34Å
166P86.9Confident86.8Confident46 Ų4672.6 Ų72.630%0.29936%0.362SS..  trans-71.3128.1177.628.9-32.5000110.8K156 M157 W158 F168K156-P166 HydrophobicContact CB-CB 4.3Å; M157-P166 CarbonylContact O-C 3.59Å; M157-P166 VanDerWaalsContact O-CA 3.25Å; M157-P166 WeakPolarHBondContact O-CA 3.39Å; M157-P166 WeakPolarHBondContact O-CB 3.31Å; W158-P166 HydrophobicContact CD2-CB 4.02Å; W158-P166 HydrophobicContact CE3-CB 3.88Å; W158-P166 HydrophobicContact CH2-CB 3.95Å; W158-P166 HydrophobicContact CH2-CG 4.02Å; W158-P166 HydrophobicContact CZ2-CB 4.05Å; W158-P166 HydrophobicContact CZ2-CG 4.44Å; W158-P166 HydrophobicContact CZ3-CB 3.85Å; W158-P166 HydrophobicContact CZ3-CG 4.11Å; P166-F168 PolarHBondContact O-N 3.2Å
167V89.6Confident86.6Confident94 Ų9481.5 Ų81.557%0.5740%0.395SS*.SBendtrans-55.8-37.5174.1179.50000111.2M157 D159 E165M157-V167 HydrophobicContact CE-CG1 4.4Å; M157-V167 PolarHBondContact O-N 3.13Å; D159-V167 HydrophobicContact CB-CG2 3.58Å; E165-V167 PolarHBondContact O-N 3.34Å
168F90.1Very high86.5Confident10 Ų1085.5 Ų85.54%0.04442%0.416CS..EExtended strand (participates in β ladder)trans-139.1138.5177.5178.7-94.5000111.2L155 K156 M157 P166 A170 Y210 P212 R217L155-F168 HydrophobicContact CD2-CE1 4.45Å; K156-F168 CarbonylContact C-O 3.41Å; K156-F168 VanDerWaalsContact CA-O 3.25Å; K156-F168 WeakPolarHBondContact CA-O 3.34Å; M157-F168 HydrophobicContact CB-CB 4Å; M157-F168 HydrophobicContact CE-CB 3.57Å; M157-F168 HydrophobicContact CE-CG 4.35Å; M157-F168 HydrophobicContact CG-CB 3.96Å; M157-F168 HydrophobicContact CG-CD1 4.24Å; M157-F168 PolarHBondContact N-O 3.1Å; M157-F168 PolarHBondContact O-N 3.15Å; M157-F168 HydrophobicContact SD-CB 4.31Å; P166-F168 PolarHBondContact O-N 3.2Å; F168-A170 HydrophobicContact CE1-CB 4.01Å; F168-Y210 HydrophobicContact CE1-CD1 4.47Å; F168-Y210 HydrophobicContact CZ-CD1 4.35Å; F168-P212 HydrophobicContact CB-CB 4.42Å; F168-P212 HydrophobicContact CD2-CB 4.03Å; F168-P212 HydrophobicContact CE2-CB 4.47Å; F168-P212 HydrophobicContact CG-CB 4.18Å; F168-R217 HydrophobicContact CE2-CB 4.29Å; F168-R217 HydrophobicContact CE2-CG 4.11Å; F168-R217 HydrophobicContact CZ-CB 4.48Å
169R92.2Very high86.3Confident144 Ų14490.7 Ų90.754%0.54345%0.445SS..EExtended strand (participates in β ladder)trans-130.9115.4172.8-178.7175.1178.1176.6-0.1109.1K156 K171 R217K156-R169 HydrophobicContact CG-CG 4.24Å; R169-K171 PolarHBondContact O-N 2.93Å; R169-R217 WeakPolarHBondContact O-CD 3.45Å
170A91.4Very high86.3Confident6 Ų694 Ų945%0.0546%0.462CS..PPolyproline II helixtrans-61.4134.2176.300000110.5A154 L155 F168 Y210 R217A154-A170 HydrophobicContact CB-CB 4.27Å; L155-A170 HydrophobicContact CB-CB 3.89Å; L155-A170 WeakPolarHBondContact O-CB 3.43Å; L155-A170 PolarHBondContact O-N 3.47Å; F168-A170 HydrophobicContact CE1-CB 4.01Å; A170-Y210 HydrophobicContact CB-CD1 4.12Å; A170-Y210 HydrophobicContact CB-CE1 3.67Å; A170-R217 WeakPolarHBondContact CA-O 3.44Å
171K90.5Very high86.5Confident125 Ų12599.4 Ų99.454%0.54348%0.481SS..PPolyproline II helixtrans-90142.9167.3-75.7-174.1177.7-179.30108.2R169 R217 R218R169-K171 PolarHBondContact O-N 2.93Å; K171-R217 HydrophobicContact CB-CB 4.11Å; K171-R217 HydrophobicContact CD-CB 4.16Å; K171-R217 HydrophobicContact CG-CB 3.84Å; K171-R217 PolarHBondContact N-O 2.71Å; K171-R218 HydrophobicContact CB-CG 4.21Å
172N89.2Confident86.8Confident31 Ų3192.9 Ų92.917%0.16645%0.452CS..PPolyproline II helixtrans-60.4157175.3-156.115.4000111.4V182 I184N172-V182 PolarHBondContact ND2-O 2.95Å; N172-I184 HydrophobicContact CB-CD1 3.94Å; N172-I184 WeakPolarHBondContact OD1-CG1 3.35Å
173V89.3Confident87.8Confident19 Ų1993.3 Ų93.312%0.11545%0.448CS..PPolyproline II helixtrans-59.5165.9167.5-65.10000110.6V182 P219V173-V182 HydrophobicContact CG2-CB 3.64Å; V173-V182 HydrophobicContact CG2-CG1 3.99Å; V173-V182 HydrophobicContact CG2-CG2 3.71Å; V173-P219 HydrophobicContact CG1-CG 3.5Å; V173-P219 VanDerWaalsContact CG1-CG 3.5Å
174R88.9Confident88.7Confident192 Ų19289.8 Ų89.873%0.72542%0.422SS*.PPolyproline II helixtrans-60.9155.4171.8-71.4-178.7174.8154.52.2109.3
175N90.4Very high89.5Confident74 Ų7486.2 Ų86.240%0.39640%0.402SS..PPolyproline II helixtrans-56.9155.1170.9-66.5-9.4000110D179 L180N175-D179 WeakPolarHBondContact CB-OD1 3.31Å; N175-D179 PolarHBondContact ND2-O 3.07Å; N175-D179 PolarHBondContact ND2-OD1 2.9Å; N175-L180 VanDerWaalsContact CA-O 3.26Å; N175-L180 WeakPolarHBondContact CA-O 3.34Å; N175-L180 WeakPolarHBondContact CB-O 3.43Å
176D87.6Confident89.9Confident87 Ų8779.3 Ų79.347%0.46537%0.37SS..  trans-69.3177.4-180-16217.9000111.6L178 D179 L180D176-L178 PolarHBondContact O-N 2.88Å; D176-D179 WeakPolarHBondContact O-CA 3.18Å; D176-D179 PolarHBondContact O-N 3.32Å; D176-L180 PolarHBondContact N-O 3.2Å
177W87.8Confident90.2Very high211 Ų21178.9 Ų78.980%0.79936%0.364SS*.THydrogen-bonded Turntrans-57.9-21.517865.2-79.8000114.1D179W177-D179 VanDerWaalsContact C-N 3.32Å
178L91.6Very high90.4Very high97 Ų9774.6 Ų74.651%0.50834%0.338SS..THydrogen-bonded Turntrans-88.68.6172.6-66.3172.9000113.9D176 L180D176-L178 PolarHBondContact O-N 2.88Å; L178-L180 HydrophobicContact CB-CD1 4.19Å; L178-L180 HydrophobicContact CB-CG 4.1Å; L178-L180 HydrophobicContact CD1-CD1 4.44Å; L178-L180 PolarHBondContact O-N 2.7Å
179D87.4Confident90.6Very high121 Ų12174.2 Ų74.265%0.64734%0.336SS*.SBendtrans56.926.4-172.9-157.120000114.3N175 D176 W177N175-D179 WeakPolarHBondContact CB-OD1 3.31Å; N175-D179 PolarHBondContact ND2-O 3.07Å; N175-D179 PolarHBondContact ND2-OD1 2.9Å; D176-D179 WeakPolarHBondContact O-CA 3.18Å; D176-D179 PolarHBondContact O-N 3.32Å; W177-D179 VanDerWaalsContact C-N 3.32Å
180L91.1Very high90.7Very high110 Ų11068.7 Ų68.758%0.57632%0.317SS*.PPolyproline II helixtrans-89.6142174.8-64.7177.2000111.2N175 D176 L178 V182N175-L180 VanDerWaalsContact CA-O 3.26Å; N175-L180 WeakPolarHBondContact CA-O 3.34Å; N175-L180 WeakPolarHBondContact CB-O 3.43Å; D176-L180 PolarHBondContact N-O 3.2Å; L178-L180 HydrophobicContact CB-CD1 4.19Å; L178-L180 HydrophobicContact CB-CG 4.1Å; L178-L180 HydrophobicContact CD1-CD1 4.44Å; L178-L180 PolarHBondContact O-N 2.7Å; L180-V182 PolarHBondContact O-N 3.48Å
181R89.1Confident90.8Very high142 Ų14269 Ų6954%0.53632%0.317SS..PPolyproline II helixtrans-65.9123.1174.9178.7-179.8174.3-128.5-7.9109.9E152 P183E152-R181 IonicContact OE2-CZ 3.41Å; E152-R181 VanDerWaalsContact OE2-CZ 3.24Å; E152-R181 IonicContact OE2-NH1 2.9Å; E152-R181 PolarHBondContact OE2-NH1 3.34Å; E152-R181 IonicContact OE2-NH2 3Å; E152-R181 PolarHBondContact OE2-NH2 3.21Å; R181-P183 WeakPolarHBondContact O-CD 3.11Å
182V88.8Confident90.7Very high24 Ų2463.6 Ų63.615%0.14529%0.294CS..PPolyproline II helixtrans-67.4121.4171.4-177.20000108.9N172 V173 L180N172-V182 PolarHBondContact ND2-O 2.95Å; V173-V182 HydrophobicContact CG2-CB 3.64Å; V173-V182 HydrophobicContact CG2-CG1 3.99Å; V173-V182 HydrophobicContact CG2-CG2 3.71Å; L180-V182 PolarHBondContact O-N 3.48Å
183P89.4Confident90.4Very high46 Ų4666 Ų6630%0.29931%0.311SS..PPolyproline II helixtrans-66.6152.1-179.927.6-34.9000111.4R181 Y204R181-P183 WeakPolarHBondContact O-CD 3.11Å; P183-Y204 HydrophobicContact CB-CD2 4.4Å; P183-Y204 HydrophobicContact CB-CE2 3.52Å; P183-Y204 WeakPolarHBondContact CB-OH 3.42Å; P183-Y204 HydrophobicContact CG-CD1 4.37Å; P183-Y204 HydrophobicContact CG-CD2 3.94Å; P183-Y204 HydrophobicContact CG-CE1 3.88Å; P183-Y204 HydrophobicContact CG-CE2 3.4Å; P183-Y204 HydrophobicContact CG-CG 4.4Å
184I89.4Confident89.9Confident10 Ų1069.4 Ų69.45%0.05135%0.35CS..  trans-110.7125.6-177.7-56.3176.6000108.4E152 A154 N172E152-I184 PolarHBondContact N-O 3.44Å; E152-I184 PolarHBondContact OE1-N 3.1Å; A154-I184 HydrophobicContact CB-CD1 3.95Å; A154-I184 HydrophobicContact CB-CG2 4.23Å; N172-I184 HydrophobicContact CB-CD1 3.94Å; N172-I184 WeakPolarHBondContact OD1-CG1 3.35Å
185W93.6Very high89.4Confident75 Ų7562.6 Ų62.628%0.28433%0.332SS..BIsolated β-bridgetrans-150.876.3176.1-167.12.1000110.7G150 K151 Q187 T202 G203 Y204G150-W185 WeakPolarHBondContact O-CA 3.41Å; K151-W185 HydrophobicContact CB-CG 4.24Å; K151-W185 HydrophobicContact CG-CD2 4.43Å; K151-W185 HydrophobicContact CG-CG 4.18Å; W185-Q187 VanDerWaalsContact CZ2-NE2 3.3Å; W185-Q187 PolarHBondContact O-N 2.85Å; W185-T202 CarbonylContact O-C 3.55Å; W185-T202 WeakPolarHBondContact O-CA 3.46Å; W185-G203 PolarHBondContact O-N 2.78Å; W185-Y204 HydrophobicContact CB-CD2 4.09Å; W185-Y204 HydrophobicContact CB-CE2 3.68Å; W185-Y204 HydrophobicContact CE3-CE2 4.36Å
186D93.4Very high89Confident1 Ų164.3 Ų64.31%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-76.2118.8-179-58.3-23.4000108.7C134 G150 L155 C201C134-D186 VanDerWaalsContact CB-O 3.25Å; C134-D186 WeakPolarHBondContact CB-O 3.25Å; G150-D186 VanDerWaalsContact CA-O 3.27Å; G150-D186 WeakPolarHBondContact CA-O 3.17Å; G150-D186 PolarHBondContact N-O 2.9Å; G150-D186 PolarHBondContact O-N 3.07Å; L155-D186 PolarHBondContact N-OD2 3.08Å; L155-D186 VanDerWaalsContact N-OD2 3.12Å; D186-C201 CarbonylContact C-O 3.54Å
187Q93.5Very high89.1Confident37 Ų3764 Ų6417%0.17333%0.332CS..EExtended strand (participates in β ladder)trans-97.5-37.4-175.2-72.9-77.24.600112.7R135 W185 C201 L230R135-Q187 WeakPolarHBondContact CB-O 3.36Å; W185-Q187 VanDerWaalsContact CZ2-NE2 3.3Å; W185-Q187 PolarHBondContact O-N 2.85Å; Q187-C201 PolarHBondContact N-O 3.02Å; Q187-L230 WeakPolarHBondContact CB-O 3.45Å; Q187-L230 WeakPolarHBondContact CG-O 3.42Å
188D93.6Very high89.3Confident5 Ų553.9 Ų53.93%0.02729%0.294CS..EExtended strand (participates in β ladder)trans-144.4154.2177.6-154.9-3.8000110.3R135 R137 T200 C201 M233R135-D188 WeakPolarHBondContact CG-OD1 3.45Å; R135-D188 IonicContact NE-OD1 3.47Å; R137-D188 IonicContact NE-OD1 2.99Å; R137-D188 IonicContact NH2-OD1 2.84Å; D188-T200 WeakPolarHBondContact O-CA 3.48Å; D188-C201 PolarHBondContact O-N 3.39Å; D188-M233 HydrophobicContact CB-CB 4.05Å; D188-M233 PolarHBondContact OD2-N 2.72Å
189I95Very high89.5Confident1 Ų149.3 Ų49.31%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-137.5141.8-172.9-54.8167.8000107.1R137 A147 G149 L155 L198 V199 T200R137-I189 WeakPolarHBondContact CG-O 3.34Å; A147-I189 HydrophobicContact CB-CG2 3.93Å; G149-I189 VanDerWaalsContact N-CD1 3.28Å; L155-I189 HydrophobicContact CD1-CD1 3.87Å; L155-I189 HydrophobicContact CD1-CG1 4.25Å; L155-I189 HydrophobicContact CD1-CG2 3.82Å; I189-L198 HydrophobicContact CG2-CD2 3.92Å; I189-V199 WeakPolarHBondContact CA-O 3.38Å; I189-T200 HydrophobicContact CG1-CG2 4.29Å; I189-T200 HydrophobicContact CG2-CG2 4.44Å
190Q93.7Very high89.8Confident29 Ų2943.5 Ų43.514%0.13624%0.239CC..EExtended strand (participates in β ladder)trans-142.6138.9172-65.7-68.410.700110.9V199 M233 L235Q190-V199 PolarHBondContact N-O 2.87Å; Q190-V199 PolarHBondContact O-N 2.91Å; Q190-M233 HydrophobicContact CB-CE 4.1Å; Q190-M233 HydrophobicContact CG-CE 3.92Å; Q190-M233 HydrophobicContact CG-CG 4.43Å; Q190-M233 PolarHBondContact NE2-O 2.95Å; Q190-L235 HydrophobicContact CB-CD1 3.88Å; Q190-L235 HydrophobicContact CB-CG 3.87Å; Q190-L235 HydrophobicContact CG-CG 4.39Å
191F92.4Very high90Very high11 Ų1138.3 Ų38.35%0.04821%0.211CC..EExtended strand (participates in β ladder)trans-83.7131.1170.5-71.3-92.6000109.8R137 Q138 D139 V145 A147 P193 L198 L235R137-F191 HydrophobicContact CB-CD2 4.3Å; R137-F191 HydrophobicContact CB-CE2 4.15Å; R137-F191 WeakPolarHBondContact O-CE2 3.42Å; Q138-F191 VanDerWaalsContact C-CE2 3.44Å; Q138-F191 WeakPolarHBondContact O-CD2 3.49Å; D139-F191 HydrophobicContact CB-CD1 3.72Å; D139-F191 HydrophobicContact CB-CD2 4.22Å; D139-F191 HydrophobicContact CB-CE1 3.65Å; D139-F191 HydrophobicContact CB-CE2 4.17Å; D139-F191 HydrophobicContact CB-CG 3.99Å; D139-F191 HydrophobicContact CB-CZ 3.87Å; V145-F191 HydrophobicContact CG1-CE1 4.38Å; V145-F191 HydrophobicContact CG1-CZ 4.42Å; A147-F191 HydrophobicContact CB-CE1 4.27Å; A147-F191 HydrophobicContact CB-CE2 3.54Å; A147-F191 HydrophobicContact CB-CZ 3.32Å; F191-P193 WeakPolarHBondContact O-CD 3.31Å; F191-L198 HydrophobicContact CB-CD2 4.4Å; F191-L198 HydrophobicContact CD1-CD2 3.4Å; F191-L198 VanDerWaalsContact CD1-CD2 3.4Å; F191-L198 HydrophobicContact CD1-CG 4.02Å; F191-L198 HydrophobicContact CD2-CD2 3.96Å; F191-L198 HydrophobicContact CE1-CD1 4.17Å; F191-L198 HydrophobicContact CE1-CD2 3.53Å; F191-L198 HydrophobicContact CE1-CG 4.07Å; F191-L198 HydrophobicContact CE2-CD2 4.06Å; F191-L198 HydrophobicContact CG-CD2 3.64Å; F191-L198 HydrophobicContact CZ-CD2 3.87Å; F191-L235 WeakPolarHBondContact O-CD1 3.24Å
192L90.2Very high90.2Very high12 Ų1231.6 Ų31.66%0.06319%0.186CC..PPolyproline II helixtrans-76.9117.9176.2-76.5162.8000109.9G194 S195 K197 V199 V209 L235 G239 L256L192-G194 PolarHBondContact O-N 2.64Å; L192-S195 VanDerWaalsContact CB-OG 3.24Å; L192-S195 WeakPolarHBondContact CB-OG 3.14Å; L192-S195 PolarHBondContact O-N 2.87Å; L192-K197 HydrophobicContact CB-CB 4.39Å; L192-K197 WeakPolarHBondContact CB-O 3.46Å; L192-K197 HydrophobicContact CD1-CB 3.58Å; L192-K197 PolarHBondContact N-O 3.4Å; L192-V199 HydrophobicContact CD1-CG2 3.61Å; L192-V199 HydrophobicContact CD2-CG2 4.1Å; L192-V199 HydrophobicContact CG-CG2 3.79Å; L192-V209 HydrophobicContact CD1-CG1 4.45Å; L192-L235 HydrophobicContact CD2-CD1 3.74Å; L192-L235 HydrophobicContact CD2-CD2 3.54Å; L192-L235 HydrophobicContact CD2-CG 4.27Å; L192-L235 HydrophobicContact CG-CD1 4.24Å; L192-L235 HydrophobicContact CG-CD2 4.45Å; L192-G239 WeakPolarHBondContact CD2-O 3.37Å; L192-L256 HydrophobicContact CD1-CD1 4.15Å; L192-L256 HydrophobicContact CD2-CD1 3.34Å; L192-L256 HydrophobicContact CG-CD1 4.33Å
193P83.1Confident90.3Very high82 Ų8230.6 Ų30.653%0.53218%0.181SC..THydrogen-bonded Turntrans-62.5135.5-18026.6-33.4000110.5F191 S195F191-P193 WeakPolarHBondContact O-CD 3.31Å; P193-S195 VanDerWaalsContact C-N 3.26Å; P193-S195 PolarHBondContact O-N 2.86Å
194G77.9Confident90.5Very high90 Ų9032.4 Ų32.493%0.92818%0.182SC*.THydrogen-bonded Turntrans79.8-4.3179.400000115.6L192L192-G194 PolarHBondContact O-N 2.64Å
195S77.4Confident90.5Very high49 Ų4934.8 Ų34.834%0.34319%0.193SC..SBendtrans-134.4142.9170.671.90000109.4L192 P193 K197L192-S195 VanDerWaalsContact CB-OG 3.24Å; L192-S195 WeakPolarHBondContact CB-OG 3.14Å; L192-S195 PolarHBondContact O-N 2.87Å; P193-S195 VanDerWaalsContact C-N 3.26Å; P193-S195 PolarHBondContact O-N 2.86Å; S195-K197 PolarHBondContact O-N 2.83Å
196Q82.1Confident90.5Very high110 Ų11032.7 Ų32.751%0.51419%0.187SC..SBendtrans-69.810.2176-66.2-171.22.100113.3P212Q196-P212 HydrophobicContact CB-CG 4.01Å; Q196-P212 WeakPolarHBondContact O-CD 3.28Å; Q196-P212 WeakPolarHBondContact O-CG 3.39Å
197K90.5Very high90.5Very high80 Ų8032.8 Ų32.835%0.34819%0.187SC..  trans-74.8148.5-177.1-64.5-179.6-177.7178.50111.6L192 S195 V209 Y210 D211L192-K197 HydrophobicContact CB-CB 4.39Å; L192-K197 WeakPolarHBondContact CB-O 3.46Å; L192-K197 HydrophobicContact CD1-CB 3.58Å; L192-K197 PolarHBondContact N-O 3.4Å; S195-K197 PolarHBondContact O-N 2.83Å; K197-V209 HydrophobicContact CB-CG1 4.45Å; K197-Y210 CarbonylContact C-O 3.57Å; K197-Y210 VanDerWaalsContact CA-O 3.3Å; K197-Y210 WeakPolarHBondContact CA-O 3.45Å; K197-D211 WeakPolarHBondContact CE-OD2 3.34Å; K197-D211 HydrophobicContact CG-CB 4.2Å
198L93.1Very high90.6Very high0 Ų031.1 Ų31.10%018%0.179CC..EExtended strand (participates in β ladder)trans-117.6138.5179.6-82.5165.2000110.2A147 L155 M157 I189 F191 V209 Y210A147-L198 HydrophobicContact CB-CD1 4.35Å; A147-L198 HydrophobicContact CB-CD2 4.1Å; L155-L198 HydrophobicContact CD1-CD1 4.31Å; L155-L198 HydrophobicContact CD2-CB 3.96Å; L155-L198 HydrophobicContact CD2-CD1 3.89Å; L155-L198 HydrophobicContact CG-CD1 4.39Å; M157-L198 HydrophobicContact CG-CD1 3.55Å; M157-L198 HydrophobicContact SD-CD1 3.28Å; M157-L198 WeakPolarHBondContact SD-CD1 3.49Å; M157-L198 HydrophobicContact SD-CG 4.43Å; I189-L198 HydrophobicContact CG2-CD2 3.92Å; F191-L198 HydrophobicContact CB-CD2 4.4Å; F191-L198 HydrophobicContact CD1-CD2 3.4Å; F191-L198 VanDerWaalsContact CD1-CD2 3.4Å; F191-L198 HydrophobicContact CD1-CG 4.02Å; F191-L198 HydrophobicContact CD2-CD2 3.96Å; F191-L198 HydrophobicContact CE1-CD1 4.17Å; F191-L198 HydrophobicContact CE1-CD2 3.53Å; F191-L198 HydrophobicContact CE1-CG 4.07Å; F191-L198 HydrophobicContact CE2-CD2 4.06Å; F191-L198 HydrophobicContact CG-CD2 3.64Å; F191-L198 HydrophobicContact CZ-CD2 3.87Å; L198-V209 CarbonylContact O-C 3.54Å; L198-V209 VanDerWaalsContact O-CA 3.29Å; L198-V209 WeakPolarHBondContact O-CA 3.46Å; L198-Y210 PolarHBondContact N-O 2.63Å; L198-Y210 PolarHBondContact O-N 2.87Å
199V94.3Very high90.6Very high0 Ų031.3 Ų31.30%018%0.181CC..EExtended strand (participates in β ladder)trans-110.9139.7170.5-168.40000108.2I189 Q190 L192 V207 R208 V209 M233 L235 V242 L256I189-V199 WeakPolarHBondContact CA-O 3.38Å; Q190-V199 PolarHBondContact N-O 2.87Å; Q190-V199 PolarHBondContact O-N 2.91Å; L192-V199 HydrophobicContact CD1-CG2 3.61Å; L192-V199 HydrophobicContact CD2-CG2 4.1Å; L192-V199 HydrophobicContact CG-CG2 3.79Å; V199-V207 HydrophobicContact CG1-CG1 3.72Å; V199-R208 CarbonylContact C-O 3.5Å; V199-R208 WeakPolarHBondContact CA-O 3.09Å; V199-V209 HydrophobicContact CG1-CG2 4.44Å; V199-V209 HydrophobicContact CG2-CG2 4.27Å; V199-M233 HydrophobicContact CB-CE 4.09Å; V199-M233 HydrophobicContact CB-SD 4.2Å; V199-M233 HydrophobicContact CG1-CE 4.02Å; V199-M233 HydrophobicContact CG1-SD 3.57Å; V199-M233 VanDerWaalsContact CG1-SD 3.57Å; V199-M233 VanDerWaalsContact O-CE 3.24Å; V199-M233 WeakPolarHBondContact O-CE 3.5Å; V199-L235 HydrophobicContact CG2-CD2 4.28Å; V199-V242 HydrophobicContact CG1-CG2 4.36Å; V199-L256 HydrophobicContact CG1-CD2 4.05Å; V199-L256 HydrophobicContact CG2-CD1 4Å; V199-L256 HydrophobicContact CG2-CD2 3.86Å
200T94.9Very high90.5Very high0 Ų031.5 Ų31.50%018%0.181CC..EExtended strand (participates in β ladder)trans-129.2144.6176.458.50000110L155 D188 I189 V207 R208 Y210L155-T200 HydrophobicContact CB-CG2 4.26Å; L155-T200 HydrophobicContact CD1-CG2 3.99Å; L155-T200 HydrophobicContact CD2-CG2 3.8Å; L155-T200 HydrophobicContact CG-CG2 4.24Å; D188-T200 WeakPolarHBondContact O-CA 3.48Å; I189-T200 HydrophobicContact CG1-CG2 4.29Å; I189-T200 HydrophobicContact CG2-CG2 4.44Å; T200-V207 WeakPolarHBondContact O-CA 3.34Å; T200-R208 PolarHBondContact N-O 2.81Å; T200-R208 PolarHBondContact O-N 2.76Å; T200-R208 WeakPolarHBondContact OG1-CB 3.02Å; T200-R208 PolarHBondContact OG1-O 3.11Å; T200-R208 VanDerWaalsContact OG1-O 3.13Å; T200-Y210 HydrophobicContact CG2-CD2 4.12Å; T200-Y210 HydrophobicContact CG2-CE2 3.98Å; T200-Y210 WeakPolarHBondContact OG1-CE2 3.39Å
201C93.9Very high90.4Very high0 Ų031.7 Ų31.70%018%0.184CC..EExtended strand (participates in β ladder)trans-110.2133.7169.4-880000109.7D186 Q187 D188 L230 M233 V244D186-C201 CarbonylContact C-O 3.54Å; Q187-C201 PolarHBondContact N-O 3.02Å; D188-C201 PolarHBondContact O-N 3.39Å; C201-L230 HydrophobicContact CB-CB 4.13Å; C201-L230 HydrophobicContact CB-CD1 4.41Å; C201-M233 HydrophobicContact CB-CB 4.29Å; C201-M233 HydrophobicContact CB-CE 4.45Å; C201-M233 HydrophobicContact CB-SD 4.21Å; C201-M233 PolarHBondContact SG-SD 3.24Å; C201-V244 WeakPolarHBondContact SG-CG1 3.45Å
202T93.4Very high90.1Very high1 Ų132.4 Ų32.41%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-103.6152.6179.370.80000112W185 Y204 H205 Q206 L230W185-T202 CarbonylContact O-C 3.55Å; W185-T202 WeakPolarHBondContact O-CA 3.46Å; T202-Y204 PolarHBondContact O-N 2.88Å; T202-Y204 VanDerWaalsContact O-N 3.14Å; T202-Y204 PolarHBondContact OG1-N 2.86Å; T202-H205 PolarHBondContact O-N 3.48Å; T202-Q206 HydrophobicContact CG2-CB 4.26Å; T202-Q206 PolarHBondContact N-O 2.78Å; T202-Q206 WeakPolarHBondContact OG1-CA 3.4Å; T202-Q206 WeakPolarHBondContact OG1-CB 3.02Å; T202-Q206 PolarHBondContact OG1-N 3.47Å; T202-Q206 PolarHBondContact OG1-O 2.99Å; T202-L230 WeakPolarHBondContact O-CB 3.21Å; T202-L230 PolarHBondContact O-N 3.31Å
203G92.1Very high90Very high4 Ų435.5 Ų35.54%0.04122%0.216CC..THydrogen-bonded Turntrans-64.9-8.3168.500000113.8W185 P229W185-G203 PolarHBondContact O-N 2.78Å; G203-P229 VanDerWaalsContact O-CA 3.31Å; G203-P229 WeakPolarHBondContact O-CA 3.27Å; G203-P229 WeakPolarHBondContact O-CB 3.34Å; G203-P229 WeakPolarHBondContact O-CG 3.1Å
204Y92.1Very high90Very high83 Ų8333.2 Ų33.233%0.32520%0.203SC..THydrogen-bonded Turntrans-10641175.5-57.2-73000111.3P183 W185 T202 Q206P183-Y204 HydrophobicContact CB-CD2 4.4Å; P183-Y204 HydrophobicContact CB-CE2 3.52Å; P183-Y204 WeakPolarHBondContact CB-OH 3.42Å; P183-Y204 HydrophobicContact CG-CD1 4.37Å; P183-Y204 HydrophobicContact CG-CD2 3.94Å; P183-Y204 HydrophobicContact CG-CE1 3.88Å; P183-Y204 HydrophobicContact CG-CE2 3.4Å; P183-Y204 HydrophobicContact CG-CG 4.4Å; W185-Y204 HydrophobicContact CB-CD2 4.09Å; W185-Y204 HydrophobicContact CB-CE2 3.68Å; W185-Y204 HydrophobicContact CE3-CE2 4.36Å; T202-Y204 PolarHBondContact O-N 2.88Å; T202-Y204 VanDerWaalsContact O-N 3.14Å; T202-Y204 PolarHBondContact OG1-N 2.86Å; Y204-Q206 WeakPolarHBondContact O-CG 3.23Å; Y204-Q206 PolarHBondContact O-N 2.84Å
205H91.1Very high90.2Very high61 Ų6135 Ų3528%0.28220%0.198SC..SBendtrans5710.9171.761.4-93.6000117T202 T224 Y225T202-H205 PolarHBondContact O-N 3.48Å; H205-T224 WeakPolarHBondContact O-CA 3.4Å; H205-Y225 PolarHBondContact O-N 2.99Å
206Q92.4Very high90.5Very high30 Ų3038.8 Ų38.814%0.1421%0.21CC..EExtended strand (participates in β ladder)trans-97.7139.9177.3-63.3156.4-7.600110.9T202 Y204 R208 E222 T223 T224T202-Q206 HydrophobicContact CG2-CB 4.26Å; T202-Q206 PolarHBondContact N-O 2.78Å; T202-Q206 WeakPolarHBondContact OG1-CA 3.4Å; T202-Q206 WeakPolarHBondContact OG1-CB 3.02Å; T202-Q206 PolarHBondContact OG1-N 3.47Å; T202-Q206 PolarHBondContact OG1-O 2.99Å; Y204-Q206 WeakPolarHBondContact O-CG 3.23Å; Y204-Q206 PolarHBondContact O-N 2.84Å; Q206-R208 VanDerWaalsContact OE1-CZ 3.28Å; Q206-E222 PolarHBondContact OE1-OE1 3.36Å; Q206-T223 CarbonylContact C-O 3.48Å; Q206-T223 WeakPolarHBondContact CA-O 3.34Å; Q206-T224 HydrophobicContact CG-CG2 3.75Å
207V94.3Very high90.8Very high4 Ų439.4 Ų39.42%0.02421%0.208CC..EExtended strand (participates in β ladder)trans-110125.1167.9-175.80000107.2V199 T200 E222 T223 L230 V242 V244 I254V199-V207 HydrophobicContact CG1-CG1 3.72Å; T200-V207 WeakPolarHBondContact O-CA 3.34Å; V207-E222 WeakPolarHBondContact O-CA 3.43Å; V207-T223 PolarHBondContact N-O 2.78Å; V207-T223 PolarHBondContact O-N 3.3Å; V207-L230 HydrophobicContact CG2-CD1 3.65Å; V207-V242 HydrophobicContact CG1-CG1 4.34Å; V207-V244 HydrophobicContact CG2-CG1 3.86Å; V207-I254 HydrophobicContact CG2-CD1 3.95Å
208R94.1Very high90.9Very high1 Ų140.7 Ų40.70%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-123.4135-176.6-69.4174.8177.1158.2-3.8110.8V199 T200 Q206 Y210 P219 L221 E222V199-R208 CarbonylContact C-O 3.5Å; V199-R208 WeakPolarHBondContact CA-O 3.09Å; T200-R208 PolarHBondContact N-O 2.81Å; T200-R208 PolarHBondContact O-N 2.76Å; T200-R208 WeakPolarHBondContact OG1-CB 3.02Å; T200-R208 PolarHBondContact OG1-O 3.11Å; T200-R208 VanDerWaalsContact OG1-O 3.13Å; Q206-R208 VanDerWaalsContact OE1-CZ 3.28Å; R208-Y210 HydrophobicContact CB-CD2 4.48Å; R208-Y210 HydrophobicContact CB-CE2 3.75Å; R208-Y210 WeakPolarHBondContact CD-OH 3.32Å; R208-P219 HydrophobicContact CB-CB 3.99Å; R208-P219 HydrophobicContact CG-CB 4.17Å; R208-P219 HydrophobicContact CG-CG 4.44Å; R208-L221 WeakPolarHBondContact CA-O 3.3Å; R208-E222 HydrophobicContact CG-CG 4.18Å; R208-E222 IonicContact CZ-OE1 3.9Å; R208-E222 IonicContact NE-OE1 2.8Å; R208-E222 PolarHBondContact NE-OE1 3.32Å; R208-E222 IonicContact NH2-OE1 4Å; R208-E222 PolarHBondContact NH2-OE1 3.04Å
209V93.8Very high90.8Very high10 Ų1041.9 Ų41.96%0.06122%0.218CC..EExtended strand (participates in β ladder)trans-107.9128.6174.6-172.80000109.3L192 K197 L198 V199 P219 V220 L221 L256L192-V209 HydrophobicContact CD1-CG1 4.45Å; K197-V209 HydrophobicContact CB-CG1 4.45Å; L198-V209 CarbonylContact O-C 3.54Å; L198-V209 VanDerWaalsContact O-CA 3.29Å; L198-V209 WeakPolarHBondContact O-CA 3.46Å; V199-V209 HydrophobicContact CG1-CG2 4.44Å; V199-V209 HydrophobicContact CG2-CG2 4.27Å; V209-P219 CarbonylContact O-C 3.51Å; V209-P219 VanDerWaalsContact O-CA 3.3Å; V209-P219 WeakPolarHBondContact O-CA 3.44Å; V209-V220 PolarHBondContact O-N 3.42Å; V209-L221 HydrophobicContact CB-CB 4.05Å; V209-L221 HydrophobicContact CG2-CB 4.06Å; V209-L221 HydrophobicContact CG2-CD2 4.12Å; V209-L221 PolarHBondContact N-O 2.77Å; V209-L256 HydrophobicContact CG2-CD2 3.83Å
210Y93.6Very high90.6Very high4 Ų446 Ų462%0.01624%0.243CC..EExtended strand (participates in β ladder)trans-114.5143.7177.3-63.3-87.1000110L155 F168 A170 K197 L198 T200 R208 P219L155-Y210 HydrophobicContact CD2-CD2 3.41Å; L155-Y210 VanDerWaalsContact CD2-CD2 3.41Å; L155-Y210 HydrophobicContact CD2-CE2 3.96Å; L155-Y210 HydrophobicContact CD2-CG 3.81Å; F168-Y210 HydrophobicContact CE1-CD1 4.47Å; F168-Y210 HydrophobicContact CZ-CD1 4.35Å; A170-Y210 HydrophobicContact CB-CD1 4.12Å; A170-Y210 HydrophobicContact CB-CE1 3.67Å; K197-Y210 CarbonylContact C-O 3.57Å; K197-Y210 VanDerWaalsContact CA-O 3.3Å; K197-Y210 WeakPolarHBondContact CA-O 3.45Å; L198-Y210 PolarHBondContact N-O 2.63Å; L198-Y210 PolarHBondContact O-N 2.87Å; T200-Y210 HydrophobicContact CG2-CD2 4.12Å; T200-Y210 HydrophobicContact CG2-CE2 3.98Å; T200-Y210 WeakPolarHBondContact OG1-CE2 3.39Å; R208-Y210 HydrophobicContact CB-CD2 4.48Å; R208-Y210 HydrophobicContact CB-CE2 3.75Å; R208-Y210 WeakPolarHBondContact CD-OH 3.32Å; Y210-P219 HydrophobicContact CD1-CB 4.24Å; Y210-P219 HydrophobicContact CE1-CB 3.83Å; Y210-P219 HydrophobicContact CE1-CG 4.27Å
211D91.4Very high90.4Very high34 Ų3448 Ų4818%0.18225%0.254CS..  trans-118.4105.6173.8-168.8-18.8000108.5K197 A213 S214 V220K197-D211 WeakPolarHBondContact CE-OD2 3.34Å; K197-D211 HydrophobicContact CG-CB 4.2Å; D211-A213 VanDerWaalsContact C-N 3.26Å; D211-A213 PolarHBondContact O-N 3.49Å; D211-A213 WeakPolarHBondContact OD1-CB 3.44Å; D211-A213 PolarHBondContact OD1-N 3.18Å; D211-A213 VanDerWaalsContact OD1-N 3.07Å; D211-S214 PolarHBondContact O-N 2.89Å; D211-V220 HydrophobicContact CB-CG2 3.81Å
212P87.3Confident90.3Very high25 Ų2552 Ų5216%0.16227%0.272CS..THydrogen-bonded Turntrans-73.6-17.8-179.231.2-34.9000113M157 F168 Q196 S214M157-P212 HydrophobicContact CE-CB 3.31Å; M157-P212 HydrophobicContact CE-CG 3.82Å; M157-P212 HydrophobicContact SD-CB 3.87Å; M157-P212 HydrophobicContact SD-CG 3.95Å; F168-P212 HydrophobicContact CB-CB 4.42Å; F168-P212 HydrophobicContact CD2-CB 4.03Å; F168-P212 HydrophobicContact CE2-CB 4.47Å; F168-P212 HydrophobicContact CG-CB 4.18Å; Q196-P212 HydrophobicContact CB-CG 4.01Å; Q196-P212 WeakPolarHBondContact O-CD 3.28Å; Q196-P212 WeakPolarHBondContact O-CG 3.39Å; P212-S214 VanDerWaalsContact C-N 3.27Å
213A86.2Confident90.2Very high77 Ų7752.9 Ų52.964%0.63628%0.278SS*.THydrogen-bonded Turntrans-74.2-23.6174.200000111.5D211D211-A213 VanDerWaalsContact C-N 3.26Å; D211-A213 PolarHBondContact O-N 3.49Å; D211-A213 WeakPolarHBondContact OD1-CB 3.44Å; D211-A213 PolarHBondContact OD1-N 3.18Å; D211-A213 VanDerWaalsContact OD1-N 3.07Å
214S84.2Confident90.2Very high35 Ų3557 Ų5725%0.24530%0.302CS..SBendtrans-78.4137.8173.7-174.80000110.8D211 P212 Q216D211-S214 PolarHBondContact O-N 2.89Å; P212-S214 VanDerWaalsContact C-N 3.27Å; S214-Q216 PolarHBondContact O-N 3.27Å; S214-Q216 VanDerWaalsContact O-N 3.07Å; S214-Q216 PolarHBondContact OG-N 2.72Å
215P81Confident90Very high127 Ų12754.1 Ų54.183%0.82529%0.291SS*.SBendtrans-63.1-13.9171.123.7-31.8000112.8R217P215-R217 PolarHBondContact O-N 3.2Å
216Q84.8Confident89.8Confident128 Ų12853.2 Ų53.260%0.59830%0.298SS*.  trans-75.3108.7174.4-61.7-169.56.300110.9S214 R218S214-Q216 PolarHBondContact O-N 3.27Å; S214-Q216 VanDerWaalsContact O-N 3.07Å; S214-Q216 PolarHBondContact OG-N 2.72Å; Q216-R218 PolarHBondContact O-N 3.01Å
217R88.9Confident89.6Confident123 Ų12359.8 Ų59.846%0.46433%0.329SS..  trans-78.14.1176.7-60.8-176.5-178.7-168.4-0.4114.5F168 R169 A170 K171 P215F168-R217 HydrophobicContact CE2-CB 4.29Å; F168-R217 HydrophobicContact CE2-CG 4.11Å; F168-R217 HydrophobicContact CZ-CB 4.48Å; R169-R217 WeakPolarHBondContact O-CD 3.45Å; A170-R217 WeakPolarHBondContact CA-O 3.44Å; K171-R217 HydrophobicContact CB-CB 4.11Å; K171-R217 HydrophobicContact CD-CB 4.16Å; K171-R217 HydrophobicContact CG-CB 3.84Å; K171-R217 PolarHBondContact N-O 2.71Å; P215-R217 PolarHBondContact O-N 3.2Å
218R91.2Very high89.5Confident107 Ų10763.8 Ų63.840%0.40434%0.344SS..SBendtrans-94160.2179.6-78.9-175.6175.2160.84.9109.9K171 Q216 V220K171-R218 HydrophobicContact CB-CG 4.21Å; Q216-R218 PolarHBondContact O-N 3.01Å; R218-V220 PolarHBondContact O-N 2.76Å
219P91.1Very high89.4Confident25 Ų2566.1 Ų66.116%0.16236%0.359CS..  trans-63136175.927.3-33.9000110.4V173 R208 V209 Y210V173-P219 HydrophobicContact CG1-CG 3.5Å; V173-P219 VanDerWaalsContact CG1-CG 3.5Å; R208-P219 HydrophobicContact CB-CB 3.99Å; R208-P219 HydrophobicContact CG-CB 4.17Å; R208-P219 HydrophobicContact CG-CG 4.44Å; V209-P219 CarbonylContact O-C 3.51Å; V209-P219 VanDerWaalsContact O-CA 3.3Å; V209-P219 WeakPolarHBondContact O-CA 3.44Å; Y210-P219 HydrophobicContact CD1-CB 4.24Å; Y210-P219 HydrophobicContact CE1-CB 3.83Å; Y210-P219 HydrophobicContact CE1-CG 4.27Å
220V90.9Very high89.4Confident87 Ų8765.6 Ų65.653%0.52736%0.356SS..SBendtrans-77.1-35.9176.4179.20000110.4V209 D211 R218V209-V220 PolarHBondContact O-N 3.42Å; D211-V220 HydrophobicContact CB-CG2 3.81Å; R218-V220 PolarHBondContact O-N 2.76Å
221L90.6Very high89.4Confident43 Ų4367 Ų6723%0.22537%0.365CS..EExtended strand (participates in β ladder)trans-132.5135.9176.4-178.270.8000108.9R208 V209 L256R208-L221 WeakPolarHBondContact CA-O 3.3Å; V209-L221 HydrophobicContact CB-CB 4.05Å; V209-L221 HydrophobicContact CG2-CB 4.06Å; V209-L221 HydrophobicContact CG2-CD2 4.12Å; V209-L221 PolarHBondContact N-O 2.77Å; L221-L256 VanDerWaalsContact CD2-O 3.23Å; L221-L256 WeakPolarHBondContact CD2-O 3.47Å
222E91.8Very high89.4Confident82 Ų8265.5 Ų65.538%0.38336%0.357SS..EExtended strand (participates in β ladder)trans-126.5130.7169.9-176163.9-139.900108.2Q206 V207 R208Q206-E222 PolarHBondContact OE1-OE1 3.36Å; V207-E222 WeakPolarHBondContact O-CA 3.43Å; R208-E222 HydrophobicContact CG-CG 4.18Å; R208-E222 IonicContact CZ-OE1 3.9Å; R208-E222 IonicContact NE-OE1 2.8Å; R208-E222 PolarHBondContact NE-OE1 3.32Å; R208-E222 IonicContact NH2-OE1 4Å; R208-E222 PolarHBondContact NH2-OE1 3.04Å
223T91.9Very high89.8Confident21 Ų2164.3 Ų64.313%0.12935%0.35CS..EExtended strand (participates in β ladder)trans-138.2139.2179.8-580000108.5Q206 V207 I254 G259Q206-T223 CarbonylContact C-O 3.48Å; Q206-T223 WeakPolarHBondContact CA-O 3.34Å; V207-T223 PolarHBondContact N-O 2.78Å; V207-T223 PolarHBondContact O-N 3.3Å; T223-I254 HydrophobicContact CG2-CG2 4.06Å; T223-G259 WeakPolarHBondContact CG2-O 3.37Å; T223-G259 VanDerWaalsContact OG1-CA 3.27Å; T223-G259 WeakPolarHBondContact OG1-CA 3.33Å; T223-G259 PolarHBondContact OG1-O 3.16Å
224T91.3Very high90.1Very high89 Ų8961.2 Ų61.255%0.54632%0.323SS..EExtended strand (participates in β ladder)trans-106143.4177.249.40000110.7H205 Q206H205-T224 WeakPolarHBondContact O-CA 3.4Å; Q206-T224 HydrophobicContact CG-CG2 3.75Å
225Y88.9Confident90.5Very high24 Ų2460.5 Ų60.59%0.09432%0.316CS..  trans-134.6113.9174.3175-106.6000111.9H205 L230 V244 A252 L261H205-Y225 PolarHBondContact O-N 2.99Å; Y225-L230 HydrophobicContact CD1-CD2 4.08Å; Y225-V244 HydrophobicContact CD1-CG2 3.92Å; Y225-V244 HydrophobicContact CG-CG2 4.37Å; Y225-A252 HydrophobicContact CD1-CB 3.75Å; Y225-A252 HydrophobicContact CD2-CB 3.66Å; Y225-A252 HydrophobicContact CE1-CB 3.43Å; Y225-A252 VanDerWaalsContact CE1-CB 3.43Å; Y225-A252 HydrophobicContact CE2-CB 3.34Å; Y225-A252 HydrophobicContact CG-CB 3.86Å; Y225-L261 HydrophobicContact CD2-CD1 3.76Å; Y225-L261 HydrophobicContact CD2-CD2 4.41Å; Y225-L261 HydrophobicContact CE2-CD1 3.81Å; Y225-L261 HydrophobicContact CE2-CD2 4.17Å
226G86.2Confident91Very high42 Ų4255 Ų5543%0.43328%0.28SS..SBendtrans64.9-166.8179.300000113.1
227E87.4Confident90.8Very high167 Ų16751.5 Ų51.578%0.7827%0.269SS*.SBendtrans-109.5-11.3-177.6-62177.8170.800112.3
228Y92.2Very high90.3Very high89 Ų8948.3 Ų48.335%0.34927%0.274SS..SBendtrans-95.9149.5-173.3-60-69.6000112.2L230 H248Y228-L230 PolarHBondContact O-N 3.01Å; Y228-H248 AromaticContact CD1-CD2 3.11Å; Y228-H248 WeakPolarHBondContact CD1-CD2 3.4Å; Y228-H248 AromaticContact CD1-NE2 3.31Å; Y228-H248 VanDerWaalsContact CD1-NE2 3.31Å; Y228-H248 WeakPolarHBondContact CD1-NE2 3.34Å; Y228-H248 HydrophobicContact CD2-CB 4.42Å; Y228-H248 AromaticContact CD2-CD2 3.87Å; Y228-H248 AromaticContact CE1-CD2 3.34Å; Y228-H248 WeakPolarHBondContact CE1-CD2 3.25Å; Y228-H248 AromaticContact CE1-CE1 3.87Å; Y228-H248 AromaticContact CE1-NE2 3.18Å; Y228-H248 WeakPolarHBondContact CE1-NE2 3.47Å; Y228-H248 AromaticContact CG-CD2 3.38Å; Y228-H248 AromaticContact CZ-CD2 3.84Å; Y228-H248 AromaticContact CZ-NE2 3.9Å
229P92.1Very high89.8Confident49 Ų4944 Ų4432%0.31826%0.262SS..PPolyproline II helixtrans-55.1136.7176.7-2735.5000112.9G203 N246 T247G203-P229 VanDerWaalsContact O-CA 3.31Å; G203-P229 WeakPolarHBondContact O-CA 3.27Å; G203-P229 WeakPolarHBondContact O-CB 3.34Å; G203-P229 WeakPolarHBondContact O-CG 3.1Å; P229-N246 VanDerWaalsContact O-CA 3.25Å; P229-N246 WeakPolarHBondContact O-CA 3.2Å; P229-N246 WeakPolarHBondContact O-CB 3.49Å; P229-T247 PolarHBondContact O-N 2.91Å; P229-T247 VanDerWaalsContact O-N 3.17Å; P229-T247 PolarHBondContact O-OG1 2.67Å
230L94.1Very high89.6Confident0 Ų046.7 Ų46.70%028%0.275CS..EExtended strand (participates in β ladder)trans-85133170.6-55.9174.1000108.8Q187 C201 T202 V207 Y225 Y228 V244 G245 N246Q187-L230 WeakPolarHBondContact CB-O 3.45Å; Q187-L230 WeakPolarHBondContact CG-O 3.42Å; C201-L230 HydrophobicContact CB-CB 4.13Å; C201-L230 HydrophobicContact CB-CD1 4.41Å; T202-L230 WeakPolarHBondContact O-CB 3.21Å; T202-L230 PolarHBondContact O-N 3.31Å; V207-L230 HydrophobicContact CG2-CD1 3.65Å; Y225-L230 HydrophobicContact CD1-CD2 4.08Å; Y228-L230 PolarHBondContact O-N 3.01Å; L230-V244 HydrophobicContact CD1-CB 4.39Å; L230-V244 HydrophobicContact CD2-CB 4.25Å; L230-V244 HydrophobicContact CD2-CG2 4.12Å; L230-G245 WeakPolarHBondContact CA-O 3.22Å; L230-N246 HydrophobicContact CD2-CB 4.23Å
231T93.2Very high89.6Confident34 Ų3443 Ų4321%0.20925%0.253CS..EExtended strand (participates in β ladder)trans-115.8-31.2-172.152.40000113.1G245 V272T231-G245 PolarHBondContact N-O 3.24Å; T231-G245 PolarHBondContact OG1-O 3.26Å; T231-V272 WeakPolarHBondContact CB-O 3.05Å; T231-V272 PolarHBondContact OG1-O 3.48Å
232A92.9Very high89.7Confident2 Ų240.9 Ų40.92%0.01724%0.243CC..EExtended strand (participates in β ladder)trans-144.9152.6-176.500000111.1G245 V272 L275A232-G245 PolarHBondContact O-N 2.81Å; A232-V272 HydrophobicContact CB-CG1 4.21Å; A232-L275 HydrophobicContact CB-CB 4.49Å; A232-L275 HydrophobicContact CB-CD1 4.13Å; A232-L275 HydrophobicContact CB-CG 4.15Å
233M94.6Very high89.8Confident0 Ų037 Ų370%022%0.224CC..EExtended strand (participates in β ladder)trans-147146.1-177.5-176.617458.300112.3D188 Q190 V199 C201 V242 I243 V244D188-M233 HydrophobicContact CB-CB 4.05Å; D188-M233 PolarHBondContact OD2-N 2.72Å; Q190-M233 HydrophobicContact CB-CE 4.1Å; Q190-M233 HydrophobicContact CG-CE 3.92Å; Q190-M233 HydrophobicContact CG-CG 4.43Å; Q190-M233 PolarHBondContact NE2-O 2.95Å; V199-M233 HydrophobicContact CB-CE 4.09Å; V199-M233 HydrophobicContact CB-SD 4.2Å; V199-M233 HydrophobicContact CG1-CE 4.02Å; V199-M233 HydrophobicContact CG1-SD 3.57Å; V199-M233 VanDerWaalsContact CG1-SD 3.57Å; V199-M233 VanDerWaalsContact O-CE 3.24Å; V199-M233 WeakPolarHBondContact O-CE 3.5Å; C201-M233 HydrophobicContact CB-CB 4.29Å; C201-M233 HydrophobicContact CB-CE 4.45Å; C201-M233 HydrophobicContact CB-SD 4.21Å; C201-M233 PolarHBondContact SG-SD 3.24Å; M233-V242 HydrophobicContact CG-CG2 3.27Å; M233-V242 HydrophobicContact SD-CG2 3.4Å; M233-V242 WeakPolarHBondContact SD-CG2 3.42Å; M233-I243 WeakPolarHBondContact CA-O 3.42Å; M233-V244 HydrophobicContact CG-CG1 4.17Å; M233-V244 HydrophobicContact SD-CG1 4.4Å
234T93.8Very high90Very high11 Ų1136 Ų367%0.06722%0.218CC..EExtended strand (participates in β ladder)trans-145.8150.8171.5-168.50000110.9V242 I243 L275 C277 L284T234-V242 WeakPolarHBondContact O-CG2 3.38Å; T234-I243 HydrophobicContact CG2-CB 4.04Å; T234-I243 PolarHBondContact N-O 3.08Å; T234-I243 PolarHBondContact O-N 2.89Å; T234-L275 HydrophobicContact CG2-CB 3.84Å; T234-C277 WeakPolarHBondContact CG2-SG 3.5Å; T234-C277 PolarHBondContact OG1-N 2.83Å; T234-L284 HydrophobicContact CG2-CD1 3.52Å
235L92.2Very high90.1Very high21 Ų2131.8 Ų31.811%0.1119%0.192CC..EExtended strand (participates in β ladder)trans-87.7150177.1-66.4173.6000110.3Q190 F191 L192 V199 V242 L256 C277Q190-L235 HydrophobicContact CB-CD1 3.88Å; Q190-L235 HydrophobicContact CB-CG 3.87Å; Q190-L235 HydrophobicContact CG-CG 4.39Å; F191-L235 WeakPolarHBondContact O-CD1 3.24Å; L192-L235 HydrophobicContact CD2-CD1 3.74Å; L192-L235 HydrophobicContact CD2-CD2 3.54Å; L192-L235 HydrophobicContact CD2-CG 4.27Å; L192-L235 HydrophobicContact CG-CD1 4.24Å; L192-L235 HydrophobicContact CG-CD2 4.45Å; V199-L235 HydrophobicContact CG2-CD2 4.28Å; L235-V242 HydrophobicContact CD2-CB 4.1Å; L235-V242 HydrophobicContact CD2-CG2 4.05Å; L235-L256 HydrophobicContact CD2-CD1 4Å; L235-C277 VanDerWaalsContact O-CB 3.25Å; L235-C277 WeakPolarHBondContact O-CB 3.46Å; L235-C277 PolarHBondContact O-SG 2.89Å
236T90Very high90.3Very high12 Ų1230.7 Ų30.77%0.07419%0.188CC..  trans-76.8155170.962.70000110.7G238 G239 S241 I243 I298T236-G238 PolarHBondContact O-N 3.4Å; T236-G239 PolarHBondContact O-N 2.82Å; T236-S241 WeakPolarHBondContact CB-OG 3.43Å; T236-S241 WeakPolarHBondContact CG2-OG 3.38Å; T236-S241 PolarHBondContact N-O 2.89Å; T236-S241 PolarHBondContact OG1-N 2.6Å; T236-S241 PolarHBondContact OG1-O 2.8Å; T236-S241 VanDerWaalsContact OG1-O 3.04Å; T236-S241 PolarHBondContact OG1-OG 3Å; T236-I243 HydrophobicContact CG2-CD1 3.97Å; T236-I243 HydrophobicContact CG2-CG1 3.91Å; T236-I298 HydrophobicContact CG2-CD1 4.16Å; T236-I298 HydrophobicContact CG2-CG2 4.29Å
237P81.4Confident90.6Very high54 Ų5431.2 Ų31.235%0.35118%0.183SC..THydrogen-bonded Turntrans-51.1-33.8179.8-29.634.9000114.3G239 H278 P279 K281P237-G239 VanDerWaalsContact C-N 3.28Å; P237-G239 PolarHBondContact O-N 2.83Å; P237-H278 WeakPolarHBondContact CG-O 3.41Å; P237-P279 WeakPolarHBondContact CB-O 3.27Å; P237-K281 WeakPolarHBondContact CG-O 3.24Å
238G79.4Confident90.8Very high55 Ų5528 Ų2857%0.56717%0.168SC*.THydrogen-bonded Turntrans-80.6-1.4-179.700000114.8T236 N240T236-G238 PolarHBondContact O-N 3.4Å; G238-N240 PolarHBondContact O-N 3.26Å
239G80.9Confident90.6Very high16 Ų1624 Ų2417%0.16515%0.153CC..SBendtrans65.8-1.717900000115.8L192 T236 P237L192-G239 WeakPolarHBondContact CD2-O 3.37Å; T236-G239 PolarHBondContact O-N 2.82Å; P237-G239 VanDerWaalsContact C-N 3.28Å; P237-G239 PolarHBondContact O-N 2.83Å
240N85.8Confident90.6Very high82 Ų8225.8 Ų25.844%0.43916%0.157SC..SBendtrans-91.7-23.2-174.4-71.1-28.2000113.2G238 D255 L256G238-N240 PolarHBondContact O-N 3.26Å; N240-D255 VanDerWaalsContact O-OD1 3.1Å; N240-L256 WeakPolarHBondContact O-CB 3.34Å; N240-L256 PolarHBondContact O-N 2.89Å
241S90.9Very high90.5Very high9 Ų925.8 Ų25.86%0.06316%0.157CC..EExtended strand (participates in β ladder)trans-128157.1-179.3550000111.7T236 E253 I254T236-S241 WeakPolarHBondContact CB-OG 3.43Å; T236-S241 WeakPolarHBondContact CG2-OG 3.38Å; T236-S241 PolarHBondContact N-O 2.89Å; T236-S241 PolarHBondContact OG1-N 2.6Å; T236-S241 PolarHBondContact OG1-O 2.8Å; T236-S241 VanDerWaalsContact OG1-O 3.04Å; T236-S241 PolarHBondContact OG1-OG 3Å; S241-E253 WeakPolarHBondContact CB-OE1 3.46Å; S241-E253 PolarHBondContact OG-OE1 3.19Å; S241-I254 CarbonylContact C-O 3.59Å; S241-I254 WeakPolarHBondContact CA-O 3.48Å; S241-I254 WeakPolarHBondContact CB-O 3.31Å
242V93.5Very high90.5Very high0 Ų024.1 Ų24.10%015%0.147CC..EExtended strand (participates in β ladder)trans-122.9139.6178.166.20000109.5V199 V207 M233 T234 L235 V244 E253 I254 L256V199-V242 HydrophobicContact CG1-CG2 4.36Å; V207-V242 HydrophobicContact CG1-CG1 4.34Å; M233-V242 HydrophobicContact CG-CG2 3.27Å; M233-V242 HydrophobicContact SD-CG2 3.4Å; M233-V242 WeakPolarHBondContact SD-CG2 3.42Å; T234-V242 WeakPolarHBondContact O-CG2 3.38Å; L235-V242 HydrophobicContact CD2-CB 4.1Å; L235-V242 HydrophobicContact CD2-CG2 4.05Å; V242-V244 HydrophobicContact CG1-CG1 4.4Å; V242-V244 HydrophobicContact CG2-CG1 4.24Å; V242-E253 CarbonylContact O-C 3.57Å; V242-E253 WeakPolarHBondContact O-CA 3.36Å; V242-I254 HydrophobicContact CG1-CB 3.9Å; V242-I254 PolarHBondContact N-O 2.97Å; V242-I254 PolarHBondContact O-N 3.25Å; V242-L256 HydrophobicContact CB-CD1 4.29Å; V242-L256 HydrophobicContact CB-CD2 3.99Å; V242-L256 HydrophobicContact CB-CG 4.22Å; V242-L256 HydrophobicContact CG1-CD2 3.61Å; V242-L256 HydrophobicContact CG1-CG 4.15Å
243I93.9Very high90.4Very high0 Ų025.5 Ų25.50%015%0.153CC..EExtended strand (participates in β ladder)trans-106.4123.7174.2-56.8179.1000108.4M233 T234 T236 A252 E253 L265 L284 I298M233-I243 WeakPolarHBondContact CA-O 3.42Å; T234-I243 HydrophobicContact CG2-CB 4.04Å; T234-I243 PolarHBondContact N-O 3.08Å; T234-I243 PolarHBondContact O-N 2.89Å; T236-I243 HydrophobicContact CG2-CD1 3.97Å; T236-I243 HydrophobicContact CG2-CG1 3.91Å; I243-A252 CarbonylContact C-O 3.58Å; I243-A252 VanDerWaalsContact CA-O 3.24Å; I243-A252 WeakPolarHBondContact CA-O 3.34Å; I243-E253 HydrophobicContact CG1-CB 4.29Å; I243-E253 HydrophobicContact CG1-CG 4.18Å; I243-L265 HydrophobicContact CD1-CD1 4.46Å; I243-L284 HydrophobicContact CD1-CB 4.44Å; I243-L284 HydrophobicContact CD1-CD1 4.19Å; I243-L284 HydrophobicContact CD1-CD2 4.02Å; I243-L284 HydrophobicContact CD1-CG 4.45Å; I243-L284 HydrophobicContact CG2-CD1 4.43Å; I243-L284 HydrophobicContact CG2-CD2 3.83Å; I243-I298 HydrophobicContact CD1-CD1 3.83Å; I243-I298 HydrophobicContact CD1-CG1 3.76Å; I243-I298 HydrophobicContact CD1-CG2 4.02Å
244V94.6Very high90.4Very high0 Ų025.6 Ų25.60%015%0.154CC..EExtended strand (participates in β ladder)trans-115.7144.5-178.8-57.90000110.4C201 V207 Y225 L230 M233 V242 L251 A252 I254C201-V244 WeakPolarHBondContact SG-CG1 3.45Å; V207-V244 HydrophobicContact CG2-CG1 3.86Å; Y225-V244 HydrophobicContact CD1-CG2 3.92Å; Y225-V244 HydrophobicContact CG-CG2 4.37Å; L230-V244 HydrophobicContact CD1-CB 4.39Å; L230-V244 HydrophobicContact CD2-CB 4.25Å; L230-V244 HydrophobicContact CD2-CG2 4.12Å; M233-V244 HydrophobicContact CG-CG1 4.17Å; M233-V244 HydrophobicContact SD-CG1 4.4Å; V242-V244 HydrophobicContact CG1-CG1 4.4Å; V242-V244 HydrophobicContact CG2-CG1 4.24Å; V244-L251 VanDerWaalsContact O-CA 3.31Å; V244-L251 WeakPolarHBondContact O-CA 3.36Å; V244-A252 HydrophobicContact CG2-CB 4Å; V244-A252 PolarHBondContact N-O 2.68Å; V244-A252 PolarHBondContact O-N 3.12Å; V244-I254 HydrophobicContact CG1-CD1 4.35Å; V244-I254 HydrophobicContact CG2-CD1 3.81Å
245G93.8Very high90.3Very high0 Ų025.8 Ų25.80%015%0.154CC..EExtended strand (participates in β ladder)trans-124.4144.5176.400000112.6L230 T231 A232L230-G245 WeakPolarHBondContact CA-O 3.22Å; T231-G245 PolarHBondContact N-O 3.24Å; T231-G245 PolarHBondContact OG1-O 3.26Å; A232-G245 PolarHBondContact O-N 2.81Å
246N93.6Very high90.2Very high1 Ų125.8 Ų25.81%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-110.4175.7-178.674.57.9000113.7P229 L230 H248 G249 Q250 V272P229-N246 VanDerWaalsContact O-CA 3.25Å; P229-N246 WeakPolarHBondContact O-CA 3.2Å; P229-N246 WeakPolarHBondContact O-CB 3.49Å; L230-N246 HydrophobicContact CD2-CB 4.23Å; N246-H248 PolarHBondContact O-N 3.45Å; N246-H248 PolarHBondContact OD1-N 2.49Å; N246-G249 PolarHBondContact O-N 3.46Å; N246-G249 PolarHBondContact OD1-N 2.87Å; N246-Q250 PolarHBondContact N-O 2.67Å; N246-Q250 VanDerWaalsContact N-O 3.16Å; N246-Q250 WeakPolarHBondContact ND2-CB 3.49Å; N246-Q250 PolarHBondContact ND2-OE1 3.4Å; N246-Q250 PolarHBondContact OD1-N 2.77Å; N246-Q250 PolarHBondContact OD1-O 2.84Å; N246-V272 WeakPolarHBondContact O-CG2 3.47Å; N246-V272 PolarHBondContact O-N 3.17Å
247T92.6Very high90Very high54 Ų5433.8 Ų33.833%0.33118%0.183SC..THydrogen-bonded Turntrans-65.4-16.6177.8-46.70000114.3P229 S271P229-T247 PolarHBondContact O-N 2.91Å; P229-T247 VanDerWaalsContact O-N 3.17Å; P229-T247 PolarHBondContact O-OG1 2.67Å; T247-S271 WeakPolarHBondContact O-CA 2.97Å; T247-S271 WeakPolarHBondContact O-CB 3.21Å; T247-S271 PolarHBondContact O-N 2.87Å; T247-S271 VanDerWaalsContact O-N 3.11Å
248H90.6Very high90.3Very high100 Ų10036.6 Ų36.646%0.46319%0.192SC..THydrogen-bonded Turntrans-101.81.4-179-76.9-93.4000114.1Y228 N246 G270Y228-H248 AromaticContact CD1-CD2 3.11Å; Y228-H248 WeakPolarHBondContact CD1-CD2 3.4Å; Y228-H248 AromaticContact CD1-NE2 3.31Å; Y228-H248 VanDerWaalsContact CD1-NE2 3.31Å; Y228-H248 WeakPolarHBondContact CD1-NE2 3.34Å; Y228-H248 HydrophobicContact CD2-CB 4.42Å; Y228-H248 AromaticContact CD2-CD2 3.87Å; Y228-H248 AromaticContact CE1-CD2 3.34Å; Y228-H248 WeakPolarHBondContact CE1-CD2 3.25Å; Y228-H248 AromaticContact CE1-CE1 3.87Å; Y228-H248 AromaticContact CE1-NE2 3.18Å; Y228-H248 WeakPolarHBondContact CE1-NE2 3.47Å; Y228-H248 AromaticContact CG-CD2 3.38Å; Y228-H248 AromaticContact CZ-CD2 3.84Å; Y228-H248 AromaticContact CZ-NE2 3.9Å; N246-H248 PolarHBondContact O-N 3.45Å; N246-H248 PolarHBondContact OD1-N 2.49Å; H248-G270 CarbonylContact C-O 3.58Å
249G88.6Confident90.6Very high4 Ų434.7 Ų34.74%0.04117%0.172CC..SBendtrans85.214.4179.100000114.4N246 L268 G270N246-G249 PolarHBondContact O-N 3.46Å; N246-G249 PolarHBondContact OD1-N 2.87Å; G249-L268 WeakPolarHBondContact O-CB 3.24Å; G249-G270 WeakPolarHBondContact CA-O 3.39Å; G249-G270 PolarHBondContact N-O 2.99Å
250Q91.3Very high91Very high86 Ų8641.6 Ų41.640%0.40219%0.193SC..  trans-84.1132.7168.7-51.2172.6-32.200108.8N246N246-Q250 PolarHBondContact N-O 2.67Å; N246-Q250 VanDerWaalsContact N-O 3.16Å; N246-Q250 WeakPolarHBondContact ND2-CB 3.49Å; N246-Q250 PolarHBondContact ND2-OE1 3.4Å; N246-Q250 PolarHBondContact OD1-N 2.77Å; N246-Q250 PolarHBondContact OD1-O 2.84Å
251L92.8Very high91.3Very high0 Ų042.1 Ų42.10%020%0.195CC..EExtended strand (participates in β ladder)trans-113.3139174.3-65.3178.4000108.7V244 C264 L265 L268 V272 L275 L284V244-L251 VanDerWaalsContact O-CA 3.31Å; V244-L251 WeakPolarHBondContact O-CA 3.36Å; L251-C264 CarbonylContact O-C 3.59Å; L251-C264 VanDerWaalsContact O-CA 3.25Å; L251-C264 WeakPolarHBondContact O-CA 3.36Å; L251-L265 HydrophobicContact CB-CB 3.81Å; L251-L265 HydrophobicContact CD1-CB 4.27Å; L251-L265 PolarHBondContact N-O 3.35Å; L251-L265 PolarHBondContact O-N 3.24Å; L251-L268 HydrophobicContact CD1-CD1 3.52Å; L251-L268 HydrophobicContact CD1-CD2 4.24Å; L251-L268 HydrophobicContact CG-CD1 4.05Å; L251-V272 HydrophobicContact CD2-CG1 4.19Å; L251-V272 HydrophobicContact CD2-CG2 3.86Å; L251-L275 HydrophobicContact CD1-CD2 4.2Å; L251-L275 HydrophobicContact CD2-CD1 3.74Å; L251-L275 HydrophobicContact CD2-CD2 3.64Å; L251-L275 HydrophobicContact CD2-CG 4.27Å; L251-L284 HydrophobicContact CD1-CD2 3.95Å
252A92.3Very high91.2Very high0 Ų046.4 Ų46.40%022%0.217CC..EExtended strand (participates in β ladder)trans-133.1141176.900000111.5Y225 I243 V244 L261 G263Y225-A252 HydrophobicContact CD1-CB 3.75Å; Y225-A252 HydrophobicContact CD2-CB 3.66Å; Y225-A252 HydrophobicContact CE1-CB 3.43Å; Y225-A252 VanDerWaalsContact CE1-CB 3.43Å; Y225-A252 HydrophobicContact CE2-CB 3.34Å; Y225-A252 HydrophobicContact CG-CB 3.86Å; I243-A252 CarbonylContact C-O 3.58Å; I243-A252 VanDerWaalsContact CA-O 3.24Å; I243-A252 WeakPolarHBondContact CA-O 3.34Å; V244-A252 HydrophobicContact CG2-CB 4Å; V244-A252 PolarHBondContact N-O 2.68Å; V244-A252 PolarHBondContact O-N 3.12Å; A252-L261 HydrophobicContact CB-CD1 3.47Å; A252-L261 VanDerWaalsContact CB-CD1 3.47Å; A252-G263 WeakPolarHBondContact CA-O 3.47Å
253E92.8Very high90.9Very high30 Ų3047.5 Ų47.514%0.1423%0.229CC..EExtended strand (participates in β ladder)trans-99.1127.3168.7-171.7-176.6-177.800109.3S241 V242 I243 L262 G263 I298S241-E253 WeakPolarHBondContact CB-OE1 3.46Å; S241-E253 PolarHBondContact OG-OE1 3.19Å; V242-E253 CarbonylContact O-C 3.57Å; V242-E253 WeakPolarHBondContact O-CA 3.36Å; I243-E253 HydrophobicContact CG1-CB 4.29Å; I243-E253 HydrophobicContact CG1-CG 4.18Å; E253-L262 HydrophobicContact CB-CB 4.33Å; E253-L262 HydrophobicContact CG-CB 4.23Å; E253-L262 HydrophobicContact CG-CD1 4.05Å; E253-L262 PolarHBondContact O-N 3.23Å; E253-G263 PolarHBondContact N-O 3.2Å; E253-G263 PolarHBondContact O-N 3.3Å; E253-I298 WeakPolarHBondContact OE2-CG2 3.38Å
254I93.1Very high90.6Very high3 Ų349.6 Ų49.62%0.01524%0.243CC..EExtended strand (participates in β ladder)trans-123.7130.6-176.8-58.3168.7000108.4V207 T223 S241 V242 V244 R260 L261V207-I254 HydrophobicContact CG2-CD1 3.95Å; T223-I254 HydrophobicContact CG2-CG2 4.06Å; S241-I254 CarbonylContact C-O 3.59Å; S241-I254 WeakPolarHBondContact CA-O 3.48Å; S241-I254 WeakPolarHBondContact CB-O 3.31Å; V242-I254 HydrophobicContact CG1-CB 3.9Å; V242-I254 PolarHBondContact N-O 2.97Å; V242-I254 PolarHBondContact O-N 3.25Å; V244-I254 HydrophobicContact CG1-CD1 4.35Å; V244-I254 HydrophobicContact CG2-CD1 3.81Å; I254-R260 CarbonylContact C-O 3.57Å; I254-R260 WeakPolarHBondContact CA-O 3.37Å; I254-L261 HydrophobicContact CG1-CD1 4.16Å
255D92.4Very high90.3Very high14 Ų1449.9 Ų49.98%0.07524%0.244CC..EExtended strand (participates in β ladder)trans-74.9126.2172-176.36000110N240 R257 G259 R260 L262N240-D255 VanDerWaalsContact O-OD1 3.1Å; D255-R257 VanDerWaalsContact C-N 3.32Å; D255-R257 PolarHBondContact OD1-N 3.2Å; D255-R257 IonicContact OD1-NE 3.48Å; D255-G259 WeakPolarHBondContact O-CA 3.15Å; D255-G259 PolarHBondContact O-N 3.05Å; D255-R260 PolarHBondContact N-O 3.27Å; D255-L262 HydrophobicContact CB-CD1 4.03Å; D255-L262 HydrophobicContact CB-CD2 4.21Å; D255-L262 HydrophobicContact CB-CG 4.04Å
256L89.1Confident89.8Confident21 Ų2157.9 Ų57.911%0.1128%0.279CS..THydrogen-bonded Turntrans-79.5-14.6-178-65.9169.7000113.2L192 V199 V209 L221 L235 N240 V242L192-L256 HydrophobicContact CD1-CD1 4.15Å; L192-L256 HydrophobicContact CD2-CD1 3.34Å; L192-L256 HydrophobicContact CG-CD1 4.33Å; V199-L256 HydrophobicContact CG1-CD2 4.05Å; V199-L256 HydrophobicContact CG2-CD1 4Å; V199-L256 HydrophobicContact CG2-CD2 3.86Å; V209-L256 HydrophobicContact CG2-CD2 3.83Å; L221-L256 VanDerWaalsContact CD2-O 3.23Å; L221-L256 WeakPolarHBondContact CD2-O 3.47Å; L235-L256 HydrophobicContact CD2-CD1 4Å; N240-L256 WeakPolarHBondContact O-CB 3.34Å; N240-L256 PolarHBondContact O-N 2.89Å; V242-L256 HydrophobicContact CB-CD1 4.29Å; V242-L256 HydrophobicContact CB-CD2 3.99Å; V242-L256 HydrophobicContact CB-CG 4.22Å; V242-L256 HydrophobicContact CG1-CD2 3.61Å; V242-L256 HydrophobicContact CG1-CG 4.15Å
257R87.3Confident89.1Confident181 Ų18160 Ų6068%0.68330%0.301SS*.THydrogen-bonded Turntrans-82-41.9177.4-68.2-179.7-68.8168.4-4.2112.1D255D255-R257 VanDerWaalsContact C-N 3.32Å; D255-R257 PolarHBondContact OD1-N 3.2Å; D255-R257 IonicContact OD1-NE 3.48Å
258Q86.5Confident88.8Confident113 Ų11358.3 Ų58.353%0.52829%0.29SS..THydrogen-bonded Turntrans-105.5-12.8-176.6-60.4-172.13.100113.5R260Q258-R260 HydrophobicContact CB-CB 4.34Å; Q258-R260 HydrophobicContact CB-CG 3.92Å; Q258-R260 PolarHBondContact O-N 3.16Å; Q258-R260 VanDerWaalsContact OE1-NH1 3.12Å
259G87.1Confident88.5Confident15 Ų1557.5 Ų57.516%0.15530%0.3CS..THydrogen-bonded Turntrans64.530-172.400000112.8T223 D255T223-G259 WeakPolarHBondContact CG2-O 3.37Å; T223-G259 VanDerWaalsContact OG1-CA 3.27Å; T223-G259 WeakPolarHBondContact OG1-CA 3.33Å; T223-G259 PolarHBondContact OG1-O 3.16Å; D255-G259 WeakPolarHBondContact O-CA 3.15Å; D255-G259 PolarHBondContact O-N 3.05Å
260R89.5Confident88.4Confident161 Ų16158.2 Ų58.261%0.60831%0.308SS*.EExtended strand (participates in β ladder)trans-104.9143.4-176.5-69.6-176-177.9174-6.7111I254 D255 Q258 L262I254-R260 CarbonylContact C-O 3.57Å; I254-R260 WeakPolarHBondContact CA-O 3.37Å; D255-R260 PolarHBondContact N-O 3.27Å; Q258-R260 HydrophobicContact CB-CB 4.34Å; Q258-R260 HydrophobicContact CB-CG 3.92Å; Q258-R260 PolarHBondContact O-N 3.16Å; Q258-R260 VanDerWaalsContact OE1-NH1 3.12Å; R260-L262 PolarHBondContact O-N 3.49Å
261L90.9Very high88.5Confident92 Ų9254.9 Ų54.948%0.48229%0.294SS..EExtended strand (participates in β ladder)trans-70.7118.4172-174.971.6000109.6Y225 A252 I254Y225-L261 HydrophobicContact CD2-CD1 3.76Å; Y225-L261 HydrophobicContact CD2-CD2 4.41Å; Y225-L261 HydrophobicContact CE2-CD1 3.81Å; Y225-L261 HydrophobicContact CE2-CD2 4.17Å; A252-L261 HydrophobicContact CB-CD1 3.47Å; A252-L261 VanDerWaalsContact CB-CD1 3.47Å; I254-L261 HydrophobicContact CG1-CD1 4.16Å
262L88.7Confident88.5Confident100 Ų10054.9 Ų54.952%0.52429%0.294SS..EExtended strand (participates in β ladder)trans-84.8-39.9176.9-68175.9000111.5E253 D255 R260E253-L262 HydrophobicContact CB-CB 4.33Å; E253-L262 HydrophobicContact CG-CB 4.23Å; E253-L262 HydrophobicContact CG-CD1 4.05Å; E253-L262 PolarHBondContact O-N 3.23Å; D255-L262 HydrophobicContact CB-CD1 4.03Å; D255-L262 HydrophobicContact CB-CD2 4.21Å; D255-L262 HydrophobicContact CB-CG 4.04Å; R260-L262 PolarHBondContact O-N 3.49Å
263G86.8Confident88.5Confident23 Ų2359.2 Ų59.224%0.23731%0.311CS..EExtended strand (participates in β ladder)trans-174.9166.7-178.600000113.6A252 E253A252-G263 WeakPolarHBondContact CA-O 3.47Å; E253-G263 PolarHBondContact N-O 3.2Å; E253-G263 PolarHBondContact O-N 3.3Å
264C88.6Confident88.4Confident44 Ų4458.2 Ų58.230%0.29731%0.308SS..EExtended strand (participates in β ladder)trans-118.9130.7175.3-61.60000110.2L251 P301L251-C264 CarbonylContact O-C 3.59Å; L251-C264 VanDerWaalsContact O-CA 3.25Å; L251-C264 WeakPolarHBondContact O-CA 3.36Å; C264-P301 WeakPolarHBondContact O-CB 3.39Å
265L87.6Confident88.4Confident5 Ų558.5 Ų58.53%0.02631%0.31CS..EExtended strand (participates in β ladder)trans-95124.6174.3-64.6158.7000108.3I243 L251 L284 H296I243-L265 HydrophobicContact CD1-CD1 4.46Å; L251-L265 HydrophobicContact CB-CB 3.81Å; L251-L265 HydrophobicContact CD1-CB 4.27Å; L251-L265 PolarHBondContact N-O 3.35Å; L251-L265 PolarHBondContact O-N 3.24Å; L265-L284 HydrophobicContact CD1-CD2 3.6Å; L265-H296 HydrophobicContact CD2-CB 4.16Å
266K83.9Confident88.5Confident168 Ų16859.8 Ų59.873%0.7332%0.316SS*.  trans-105.6164.4-177.1-64.8-174.3179.7-177.50111.6H296K266-H296 PolarHBondContact O-NE2 2.84Å
267G78.4Confident88.5Confident46 Ų4659.4 Ų59.447%0.47431%0.314SS..  trans116-3.8167.900000115.8R294G267-R294 PolarHBondContact O-NE 3.11Å; G267-R294 PolarHBondContact O-NH2 2.78Å
268L85.6Confident88.6Confident18 Ų1850.8 Ų50.89%0.09428%0.282CS..  trans-86147.4166.1-58.575.8000109.2G249 L251 V272G249-L268 WeakPolarHBondContact O-CB 3.24Å; L251-L268 HydrophobicContact CD1-CD1 3.52Å; L251-L268 HydrophobicContact CD1-CD2 4.24Å; L251-L268 HydrophobicContact CG-CD1 4.05Å; L268-V272 HydrophobicContact CD2-CG2 3.82Å
269A84.9Confident88.4Confident83 Ų8349.4 Ų49.469%0.68628%0.283SS*.  trans-134.859.4-171.500000109.2D290A269-D290 WeakPolarHBondContact CA-OD2 3.35Å; A269-D290 PolarHBondContact N-OD2 3.17Å; A269-D290 VanDerWaalsContact O-CG 3.26Å
270G87.8Confident88.2Confident20 Ų2051.6 Ų51.621%0.20630%0.295CS..SBendtrans150.8175.4-177.700000112.8H248 G249 V272 D290H248-G270 CarbonylContact C-O 3.58Å; G249-G270 WeakPolarHBondContact CA-O 3.39Å; G249-G270 PolarHBondContact N-O 2.99Å; G270-V272 PolarHBondContact O-N 3.28Å; G270-D290 WeakPolarHBondContact CA-OD1 3.28Å; G270-D290 PolarHBondContact N-OD1 3Å
271S91.9Very high87.9Confident16 Ų1646.6 Ų46.611%0.11228%0.278CS..  trans-60.9127.3-173.5-172.60000112.2T247 G288 L289T247-S271 WeakPolarHBondContact O-CA 2.97Å; T247-S271 WeakPolarHBondContact O-CB 3.21Å; T247-S271 PolarHBondContact O-N 2.87Å; T247-S271 VanDerWaalsContact O-N 3.11Å; S271-G288 CarbonylContact O-C 3.51Å; S271-G288 WeakPolarHBondContact O-CA 3.33Å; S271-L289 PolarHBondContact O-N 3.3Å
272V93.7Very high87.7Confident0 Ų044.2 Ų44.20%027%0.268CS..EExtended strand (participates in β ladder)trans-71.2129.8170.4-171.10000108.1T231 A232 N246 L251 L268 G270 L275T231-V272 WeakPolarHBondContact CB-O 3.05Å; T231-V272 PolarHBondContact OG1-O 3.48Å; A232-V272 HydrophobicContact CB-CG1 4.21Å; N246-V272 WeakPolarHBondContact O-CG2 3.47Å; N246-V272 PolarHBondContact O-N 3.17Å; L251-V272 HydrophobicContact CD2-CG1 4.19Å; L251-V272 HydrophobicContact CD2-CG2 3.86Å; L268-V272 HydrophobicContact CD2-CG2 3.82Å; G270-V272 PolarHBondContact O-N 3.28Å; V272-L275 HydrophobicContact CG1-CD1 3.99Å; V272-L275 HydrophobicContact CG1-CD2 3.79Å; V272-L275 HydrophobicContact CG1-CG 3.62Å
273R92.1Very high87.8Confident90 Ų9039.8 Ų39.834%0.3425%0.245SC..EExtended strand (participates in β ladder)trans-114.2-30.3177.6-74-172.5166.9-174.10.9112.4C287 L289 L314 N315R273-C287 PolarHBondContact N-O 2.9Å; R273-L289 VanDerWaalsContact CZ-CD2 3.42Å; R273-L314 VanDerWaalsContact CD-O 3.24Å; R273-L314 WeakPolarHBondContact CD-O 3.35Å; R273-N315 PolarHBondContact NH1-OD1 2.91Å
274G90.8Very high88Confident9 Ų938.7 Ų38.79%0.09323%0.234CC..EExtended strand (participates in β ladder)trans-142.8138.5177.900000111.9C287G274-C287 VanDerWaalsContact CA-SG 3.52Å; G274-C287 PolarHBondContact N-O 2.96Å; G274-C287 PolarHBondContact O-N 3.25Å
275L93.8Very high88.2Confident10 Ų1036.6 Ų36.65%0.05222%0.22CC..EExtended strand (participates in β ladder)trans-133.2138.1173.3-69.3171.1000109A232 T234 L251 V272 L284 A285 S286A232-L275 HydrophobicContact CB-CB 4.49Å; A232-L275 HydrophobicContact CB-CD1 4.13Å; A232-L275 HydrophobicContact CB-CG 4.15Å; T234-L275 HydrophobicContact CG2-CB 3.84Å; L251-L275 HydrophobicContact CD1-CD2 4.2Å; L251-L275 HydrophobicContact CD2-CD1 3.74Å; L251-L275 HydrophobicContact CD2-CD2 3.64Å; L251-L275 HydrophobicContact CD2-CG 4.27Å; V272-L275 HydrophobicContact CG1-CD1 3.99Å; V272-L275 HydrophobicContact CG1-CD2 3.79Å; V272-L275 HydrophobicContact CG1-CG 3.62Å; L275-L284 HydrophobicContact CB-CD1 4.39Å; L275-L284 HydrophobicContact CD2-CD1 4.16Å; L275-L284 HydrophobicContact CD2-CD2 4.37Å; L275-L284 HydrophobicContact CD2-CG 4.49Å; L275-A285 WeakPolarHBondContact CA-O 3.29Å; L275-S286 VanDerWaalsContact CD2-CB 3.49Å
276Q92.6Very high88.4Confident41 Ų4136.4 Ų36.419%0.19222%0.218CC..EExtended strand (participates in β ladder)trans-150.6127.8172.5-173168.11.600111A285 L317 L319Q276-A285 PolarHBondContact N-O 3.22Å; Q276-A285 PolarHBondContact O-N 2.65Å; Q276-L317 HydrophobicContact CB-CD2 3.77Å; Q276-L317 PolarHBondContact OE1-O 3.14Å; Q276-L317 VanDerWaalsContact OE1-O 3.11Å; Q276-L319 VanDerWaalsContact CD-N 3.3Å; Q276-L319 HydrophobicContact CG-CB 4.1Å
277C91Very high88.8Confident12 Ų1228.4 Ų28.48%0.08118%0.184CC..EExtended strand (participates in β ladder)trans-80.6149167.5-68.20000111.2T234 L235 L283T234-C277 WeakPolarHBondContact CG2-SG 3.5Å; T234-C277 PolarHBondContact OG1-N 2.83Å; L235-C277 VanDerWaalsContact O-CB 3.25Å; L235-C277 WeakPolarHBondContact O-CB 3.46Å; L235-C277 PolarHBondContact O-SG 2.89Å; C277-L283 CarbonylContact C-O 3.39Å; C277-L283 VanDerWaalsContact CA-O 3.27Å; C277-L283 WeakPolarHBondContact CA-O 3.44Å
278H88.6Confident89.4Confident1 Ų126.3 Ų26.31%0.00516%0.162CC..  trans-65.9142164.5-171.4-67.3000109.4P237 S280 K281 L283 L319 D323P237-H278 WeakPolarHBondContact CG-O 3.41Å; H278-S280 PolarHBondContact CE1-OG 2.8Å; H278-S280 PolarHBondContact ND1-N 2.84Å; H278-S280 VanDerWaalsContact ND1-N 3.13Å; H278-S280 PolarHBondContact ND1-OG 3.02Å; H278-K281 HydrophobicContact CB-CB 4.22Å; H278-K281 PolarHBondContact ND1-N 2.85Å; H278-L283 HydrophobicContact CB-CB 4.01Å; H278-L283 PolarHBondContact N-O 2.83Å; H278-L319 HydrophobicContact CB-CD2 3.76Å; H278-L319 WeakPolarHBondContact CD2-CD2 3.3Å; H278-D323 IonicContact CE1-OD1 3.75Å
279P82.8Confident89.7Confident84 Ų8428.4 Ų28.455%0.54517%0.173SC..SBendtrans-65.6-40.9-17721.2-32.3000114.3P237 G321P237-P279 WeakPolarHBondContact CB-O 3.27Å; P279-G321 VanDerWaalsContact CG-CA 3.45Å
280S82.3Confident89.9Confident60 Ų6025.7 Ų25.742%0.4215%0.147SC..SBendtrans-99.4-44.517962.10000114.9H278 D323H278-S280 PolarHBondContact CE1-OG 2.8Å; H278-S280 PolarHBondContact ND1-N 2.84Å; H278-S280 VanDerWaalsContact ND1-N 3.13Å; H278-S280 PolarHBondContact ND1-OG 3.02Å; S280-D323 WeakPolarHBondContact CB-OD1 2.68Å; S280-D323 PolarHBondContact OG-OD1 3.21Å
281K83.8Confident90.1Very high57 Ų5730.1 Ų30.125%0.24816%0.158CC..SBendtrans-83.5148.8-175.8-61.7173.3-174.11670112.1P237 H278 L283 D323P237-K281 WeakPolarHBondContact CG-O 3.24Å; H278-K281 HydrophobicContact CB-CB 4.22Å; H278-K281 PolarHBondContact ND1-N 2.85Å; K281-L283 HydrophobicContact CB-CD1 3.95Å; K281-L283 HydrophobicContact CB-CG 3.99Å; K281-L283 HydrophobicContact CD-CD1 4.1Å; K281-L283 PolarHBondContact O-N 2.82Å; K281-D323 WeakPolarHBondContact CE-O 3.43Å; K281-D323 PolarHBondContact NZ-O 2.84Å
282P87Confident90Very high42 Ų4230 Ų3027%0.27316%0.156SC..SBendtrans-77.753.1176.534.4-37.1000111.9R297 I298 Q299P282-R297 WeakPolarHBondContact O-CA 3.31Å; P282-I298 PolarHBondContact O-N 3.01Å; P282-Q299 HydrophobicContact CB-CG 4.41Å
283L89.3Confident89.9Confident7 Ų730 Ų304%0.03716%0.156CC..EExtended strand (participates in β ladder)trans-112.5138.1-178.7-64.2173.8000110C277 H278 K281 I295 H296 E305 W325C277-L283 CarbonylContact C-O 3.39Å; C277-L283 VanDerWaalsContact CA-O 3.27Å; C277-L283 WeakPolarHBondContact CA-O 3.44Å; H278-L283 HydrophobicContact CB-CB 4.01Å; H278-L283 PolarHBondContact N-O 2.83Å; K281-L283 HydrophobicContact CB-CD1 3.95Å; K281-L283 HydrophobicContact CB-CG 3.99Å; K281-L283 HydrophobicContact CD-CD1 4.1Å; K281-L283 PolarHBondContact O-N 2.82Å; L283-I295 HydrophobicContact CB-CG2 4.42Å; L283-I295 HydrophobicContact CD2-CG2 4.17Å; L283-H296 CarbonylContact C-O 3.56Å; L283-H296 WeakPolarHBondContact CA-O 3.44Å; L283-E305 WeakPolarHBondContact CD2-OE2 3.27Å; L283-W325 HydrophobicContact CD1-CH2 3.32Å; L283-W325 HydrophobicContact CD1-CZ2 3.64Å; L283-W325 HydrophobicContact CD1-CZ3 4.27Å
284L91.9Very high89.9Confident0 Ų026.4 Ų26.40%014%0.143CC..EExtended strand (participates in β ladder)trans-119.4122.4175.6173.372.1000108.9T234 I243 L251 L265 L275 I295 H296 I298T234-L284 HydrophobicContact CG2-CD1 3.52Å; I243-L284 HydrophobicContact CD1-CB 4.44Å; I243-L284 HydrophobicContact CD1-CD1 4.19Å; I243-L284 HydrophobicContact CD1-CD2 4.02Å; I243-L284 HydrophobicContact CD1-CG 4.45Å; I243-L284 HydrophobicContact CG2-CD1 4.43Å; I243-L284 HydrophobicContact CG2-CD2 3.83Å; L251-L284 HydrophobicContact CD1-CD2 3.95Å; L265-L284 HydrophobicContact CD1-CD2 3.6Å; L275-L284 HydrophobicContact CB-CD1 4.39Å; L275-L284 HydrophobicContact CD2-CD1 4.16Å; L275-L284 HydrophobicContact CD2-CD2 4.37Å; L275-L284 HydrophobicContact CD2-CG 4.49Å; L284-I295 CarbonylContact O-C 3.48Å; L284-I295 VanDerWaalsContact O-CA 3.28Å; L284-I295 WeakPolarHBondContact O-CA 3.47Å; L284-H296 HydrophobicContact CB-CB 4.41Å; L284-H296 PolarHBondContact N-O 3Å; L284-H296 PolarHBondContact O-N 3.29Å; L284-I298 HydrophobicContact CB-CG1 4.06Å
285A92.1Very high89.9Confident0 Ų026 Ų260%014%0.139CC..EExtended strand (participates in β ladder)trans-95.4135166.200000110.4L275 Q276 L293 R294 I295 L317 L319L275-A285 WeakPolarHBondContact CA-O 3.29Å; Q276-A285 PolarHBondContact N-O 3.22Å; Q276-A285 PolarHBondContact O-N 2.65Å; A285-L293 HydrophobicContact CB-CD1 4.47Å; A285-R294 WeakPolarHBondContact CA-O 3.49Å; A285-I295 HydrophobicContact CB-CG1 4.37Å; A285-L317 HydrophobicContact CB-CD1 3.97Å; A285-L317 HydrophobicContact CB-CD2 3.53Å; A285-L317 HydrophobicContact CB-CG 4.42Å; A285-L319 HydrophobicContact CB-CD1 3.48Å; A285-L319 VanDerWaalsContact CB-CD1 3.48Å
286S92.9Very high89.8Confident0 Ų025.6 Ų25.60%014%0.136CC..EExtended strand (participates in β ladder)trans-131137.7-178.361.70000111.6L275 R294L275-S286 VanDerWaalsContact CD2-CB 3.49Å; S286-R294 PolarHBondContact N-O 2.99Å; S286-R294 PolarHBondContact O-N 2.97Å; S286-R294 VanDerWaalsContact O-N 3.1Å; S286-R294 PolarHBondContact OG-O 3.37Å
287C91.8Very high89.6Confident1 Ų129.4 Ų29.41%0.00715%0.149CC..EExtended strand (participates in β ladder)trans-137.2155.9176.473.30000111.7R273 G274 L314 L317R273-C287 PolarHBondContact N-O 2.9Å; G274-C287 VanDerWaalsContact CA-SG 3.52Å; G274-C287 PolarHBondContact N-O 2.96Å; G274-C287 PolarHBondContact O-N 3.25Å; C287-L314 HydrophobicContact CB-CB 3.82Å; C287-L314 HydrophobicContact CB-CD1 3.81Å; C287-L314 HydrophobicContact CB-CG 4.47Å; C287-L317 HydrophobicContact CB-CD1 3.82Å
288G90.5Very high89.2Confident2 Ų229.4 Ų29.42%0.02115%0.148CC..EExtended strand (participates in β ladder)trans-171.8-160.8-175.500000113.4S271 D290 L314S271-G288 CarbonylContact O-C 3.51Å; S271-G288 WeakPolarHBondContact O-CA 3.33Å; G288-D290 PolarHBondContact O-N 3.02Å; G288-L314 PolarHBondContact O-N 3.33Å
289L91.3Very high88.5Confident61 Ų6137 Ų3732%0.31918%0.183SC..THydrogen-bonded Turntrans-67.4-20.2-179.4-71178.6000113.9S271 R273 R291 Q313S271-L289 PolarHBondContact O-N 3.3Å; R273-L289 VanDerWaalsContact CZ-CD2 3.42Å; L289-R291 PolarHBondContact O-N 2.84Å; L289-Q313 VanDerWaalsContact CD2-OE1 3.23Å
290D89.9Confident88.2Confident26 Ų2636.8 Ų36.814%0.13918%0.178CC..THydrogen-bonded Turntrans-65.6-9.5-177.7-54.116.1000114.3A269 G270 G288 V292 R294A269-D290 WeakPolarHBondContact CA-OD2 3.35Å; A269-D290 PolarHBondContact N-OD2 3.17Å; A269-D290 VanDerWaalsContact O-CG 3.26Å; G270-D290 WeakPolarHBondContact CA-OD1 3.28Å; G270-D290 PolarHBondContact N-OD1 3Å; G288-D290 PolarHBondContact O-N 3.02Å; D290-V292 HydrophobicContact CB-CB 4.45Å; D290-V292 PolarHBondContact O-N 2.75Å; D290-V292 VanDerWaalsContact O-N 3.16Å; D290-R294 IonicContact OD2-CZ 2.77Å; D290-R294 IonicContact OD2-NH1 3.69Å; D290-R294 PolarHBondContact OD2-NH1 2.9Å; D290-R294 IonicContact OD2-NH2 3.88Å; D290-R294 PolarHBondContact OD2-NH2 3.02Å
291R91.1Very high87.4Confident113 Ų11337.1 Ų37.143%0.42618%0.178SC..SBendtrans62.816.6-176.1-49.2173.1-96.2-169.1-7.8113.8L289 Y309 L310 S312 Q313L289-R291 PolarHBondContact O-N 2.84Å; R291-Y309 HydrophobicContact CB-CD2 4.35Å; R291-Y309 HydrophobicContact CB-CE2 3.82Å; R291-Y309 WeakPolarHBondContact O-CD2 3.49Å; R291-L310 PolarHBondContact O-N 3.35Å; R291-S312 WeakPolarHBondContact CA-O 3.35Å; R291-S312 VanDerWaalsContact CB-O 3.24Å; R291-S312 WeakPolarHBondContact CB-O 3.44Å; R291-S312 WeakPolarHBondContact CG-O 3.01Å; R291-Q313 HydrophobicContact CG-CG 4.11Å
292V91.4Very high86.6Confident13 Ų1345.5 Ų45.58%0.07921%0.208CC..EExtended strand (participates in β ladder)trans-118.8126.1-179.4178.10000108.8D290 R294 K307 V308 Y309D290-V292 HydrophobicContact CB-CB 4.45Å; D290-V292 PolarHBondContact O-N 2.75Å; D290-V292 VanDerWaalsContact O-N 3.16Å; V292-R294 HydrophobicContact CG1-CG 3.81Å; V292-K307 HydrophobicContact CG1-CD 4.43Å; V292-K307 HydrophobicContact CG1-CG 3.53Å; V292-V308 CarbonylContact C-O 3.52Å; V292-V308 WeakPolarHBondContact CA-O 3.14Å; V292-Y309 HydrophobicContact CG2-CD2 3.74Å
293L91.7Very high86Confident1 Ų144.1 Ų44.11%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-81.1129165.4173.365.7000108.7V11 V13 V23 A285 V308 L310 L317V11-L293 HydrophobicContact CB-CD2 3.97Å; V11-L293 HydrophobicContact CG1-CD1 4.05Å; V11-L293 HydrophobicContact CG1-CD2 3.75Å; V11-L293 HydrophobicContact CG2-CD2 4.42Å; V13-L293 HydrophobicContact CG2-CD1 4.38Å; V13-L293 HydrophobicContact CG2-CD2 4.24Å; V23-L293 HydrophobicContact CB-CD2 3.96Å; V23-L293 HydrophobicContact CG1-CD2 4.05Å; V23-L293 HydrophobicContact CG2-CD2 3.81Å; A285-L293 HydrophobicContact CB-CD1 4.47Å; L293-V308 HydrophobicContact CB-CB 4.49Å; L293-V308 PolarHBondContact N-O 2.85Å; L293-V308 PolarHBondContact O-N 2.97Å; L293-L310 HydrophobicContact CB-CD1 3.89Å; L293-L310 HydrophobicContact CB-CG 4.48Å; L293-L317 HydrophobicContact CD1-CD1 3.31Å
294R91.5Very high85.8Confident14 Ų1447.3 Ų47.35%0.05322%0.219CC..EExtended strand (participates in β ladder)trans-124.3140.9177-65-179.3-176.481.5-14.6110.5G267 A285 S286 D290 V292 L304 H306 K307G267-R294 PolarHBondContact O-NE 3.11Å; G267-R294 PolarHBondContact O-NH2 2.78Å; A285-R294 WeakPolarHBondContact CA-O 3.49Å; S286-R294 PolarHBondContact N-O 2.99Å; S286-R294 PolarHBondContact O-N 2.97Å; S286-R294 VanDerWaalsContact O-N 3.1Å; S286-R294 PolarHBondContact OG-O 3.37Å; D290-R294 IonicContact OD2-CZ 2.77Å; D290-R294 IonicContact OD2-NH1 3.69Å; D290-R294 PolarHBondContact OD2-NH1 2.9Å; D290-R294 IonicContact OD2-NH2 3.88Å; D290-R294 PolarHBondContact OD2-NH2 3.02Å; V292-R294 HydrophobicContact CG1-CG 3.81Å; R294-L304 HydrophobicContact CB-CD1 3.81Å; R294-L304 HydrophobicContact CG-CD1 4.12Å; R294-H306 WeakPolarHBondContact CA-O 3.37Å; R294-K307 HydrophobicContact CG-CG 4.45Å
295I91.4Very high85.3Confident2 Ų250.5 Ų50.51%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-117.6123.5172.1-60-172.6000109.2V11 L25 L283 L284 A285 E305 H306V11-I295 HydrophobicContact CG2-CD1 4.13Å; L25-I295 HydrophobicContact CD1-CD1 3.12Å; L25-I295 HydrophobicContact CD2-CD1 3.24Å; L25-I295 HydrophobicContact CD2-CG1 4.3Å; L25-I295 HydrophobicContact CG-CD1 3.73Å; L283-I295 HydrophobicContact CB-CG2 4.42Å; L283-I295 HydrophobicContact CD2-CG2 4.17Å; L284-I295 CarbonylContact O-C 3.48Å; L284-I295 VanDerWaalsContact O-CA 3.28Å; L284-I295 WeakPolarHBondContact O-CA 3.47Å; A285-I295 HydrophobicContact CB-CG1 4.37Å; I295-E305 PolarHBondContact O-N 3.4Å; I295-H306 HydrophobicContact CB-CB 4.16Å; I295-H306 HydrophobicContact CD1-CB 4.49Å; I295-H306 HydrophobicContact CG1-CB 4.4Å; I295-H306 PolarHBondContact N-O 3.2Å; I295-H306 PolarHBondContact O-N 3.23Å
296H90.4Very high85.1Confident1 Ų152.1 Ų52.11%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-113.3144.2179.5-64.287.6000110L265 K266 L283 L284 G303L265-H296 HydrophobicContact CD2-CB 4.16Å; K266-H296 PolarHBondContact O-NE2 2.84Å; L283-H296 CarbonylContact C-O 3.56Å; L283-H296 WeakPolarHBondContact CA-O 3.44Å; L284-H296 HydrophobicContact CB-CB 4.41Å; L284-H296 PolarHBondContact N-O 3Å; L284-H296 PolarHBondContact O-N 3.29Å; H296-G303 WeakPolarHBondContact CA-O 3.33Å
297R89Confident84.9Confident121 Ų12158.7 Ų58.746%0.45727%0.27SS..EExtended strand (participates in β ladder)trans-88.2121166.7-176177.5-85.5-148.4-13.3108.8P282 Q299 N300 G303 E305P282-R297 WeakPolarHBondContact O-CA 3.31Å; R297-Q299 PolarHBondContact O-N 2.99Å; R297-N300 CarbonylContact O-C 3.55Å; R297-N300 PolarHBondContact O-N 2.84Å; R297-N300 VanDerWaalsContact O-N 3.11Å; R297-G303 PolarHBondContact N-O 3.4Å; R297-E305 HydrophobicContact CB-CG 4.44Å; R297-E305 IonicContact CZ-OE1 3.68Å; R297-E305 IonicContact NE-OE1 3.61Å; R297-E305 PolarHBondContact NE-OE1 2.65Å; R297-E305 IonicContact NH2-OE1 2.68Å; R297-E305 PolarHBondContact NH2-OE1 2.99Å
298I82.1Confident84.8Confident11 Ų1159.3 Ų59.36%0.05627%0.273CS..THydrogen-bonded Turntrans-60.6-44.9-170.3-60.7169.6000111.4T236 I243 E253 P282 L284 N300T236-I298 HydrophobicContact CG2-CD1 4.16Å; T236-I298 HydrophobicContact CG2-CG2 4.29Å; I243-I298 HydrophobicContact CD1-CD1 3.83Å; I243-I298 HydrophobicContact CD1-CG1 3.76Å; I243-I298 HydrophobicContact CD1-CG2 4.02Å; E253-I298 WeakPolarHBondContact OE2-CG2 3.38Å; P282-I298 PolarHBondContact O-N 3.01Å; L284-I298 HydrophobicContact CB-CG1 4.06Å; I298-N300 PolarHBondContact O-N 2.79Å; I298-N300 VanDerWaalsContact O-N 3.1Å
299Q75.1Confident84.9Confident161 Ų16165.3 Ų65.375%0.75230%0.296SS*.THydrogen-bonded Turntrans-69.4-8.1-178.4-64.7177.1-8.900114.3P282 R297P282-Q299 HydrophobicContact CB-CG 4.41Å; R297-Q299 PolarHBondContact O-N 2.99Å
300N76.6Confident84.6Confident80 Ų8062.6 Ų62.643%0.42828%0.282SS..  trans-125.4103.4175.9-173.7-7.5000109.9R297 I298 R302 G303R297-N300 CarbonylContact O-C 3.55Å; R297-N300 PolarHBondContact O-N 2.84Å; R297-N300 VanDerWaalsContact O-N 3.11Å; I298-N300 PolarHBondContact O-N 2.79Å; I298-N300 VanDerWaalsContact O-N 3.1Å; N300-R302 PolarHBondContact O-N 3.28Å; N300-R302 PolarHBondContact OD1-N 3.18Å; N300-G303 PolarHBondContact O-N 3.2Å; N300-G303 PolarHBondContact OD1-N 3.42Å
301P64Low84.5Confident66 Ų6669.1 Ų69.143%0.42931%0.309SS..THydrogen-bonded Turntrans-61.9-15.8-175.620.3-30.1000114.5C264C264-P301 WeakPolarHBondContact O-CB 3.39Å
302R67.1Low84.3Confident233 Ų23365 Ų6588%0.87930%0.297SS*.THydrogen-bonded Turntrans-105.2-4.2173.5-62.3-176.7-175.31772113.6N300 L304N300-R302 PolarHBondContact O-N 3.28Å; N300-R302 PolarHBondContact OD1-N 3.18Å; R302-L304 VanDerWaalsContact C-N 3.32Å; R302-L304 PolarHBondContact O-N 2.76Å
303G74.6Confident84.2Confident13 Ų1367.7 Ų67.713%0.13431%0.309CS..  trans-77.875.2-173.900000112.4H296 R297 N300 E305H296-G303 WeakPolarHBondContact CA-O 3.33Å; R297-G303 PolarHBondContact N-O 3.4Å; N300-G303 PolarHBondContact O-N 3.2Å; N300-G303 PolarHBondContact OD1-N 3.42Å; G303-E305 PolarHBondContact O-N 3.3Å
304L84.4Confident84.2Confident75 Ų7567.6 Ų67.639%0.39331%0.309SS..EExtended strand (participates in β ladder)trans-78.2112.6163.7-178.673.8000108.2R294 R302 K307R294-L304 HydrophobicContact CB-CD1 3.81Å; R294-L304 HydrophobicContact CG-CD1 4.12Å; R302-L304 VanDerWaalsContact C-N 3.32Å; R302-L304 PolarHBondContact O-N 2.76Å; L304-K307 HydrophobicContact CD2-CB 4.21Å; L304-K307 HydrophobicContact CD2-CD 4.5Å
305E83.2Confident84.2Confident66 Ų6668.4 Ų68.431%0.30831%0.314SS..EExtended strand (participates in β ladder)trans-86.1-48.3179.2-68-170.5173.900111L283 I295 R297 G303L283-E305 WeakPolarHBondContact CD2-OE2 3.27Å; I295-E305 PolarHBondContact O-N 3.4Å; R297-E305 HydrophobicContact CB-CG 4.44Å; R297-E305 IonicContact CZ-OE1 3.68Å; R297-E305 IonicContact NE-OE1 3.61Å; R297-E305 PolarHBondContact NE-OE1 2.65Å; R297-E305 IonicContact NH2-OE1 2.68Å; R297-E305 PolarHBondContact NH2-OE1 2.99Å; G303-E305 PolarHBondContact O-N 3.3Å
306H86.1Confident84Confident35 Ų3568.6 Ų68.616%0.16232%0.315CS..EExtended strand (participates in β ladder)trans-131.2140.9-176.6-60.9-93000112L25 R294 I295L25-H306 HydrophobicContact CD2-CB 4.42Å; L25-H306 PolarHBondContact O-CE1 3.05Å; L25-H306 VanDerWaalsContact O-CE1 3.24Å; L25-H306 PolarHBondContact O-ND1 3.38Å; R294-H306 WeakPolarHBondContact CA-O 3.37Å; I295-H306 HydrophobicContact CB-CB 4.16Å; I295-H306 HydrophobicContact CD1-CB 4.49Å; I295-H306 HydrophobicContact CG1-CB 4.4Å; I295-H306 PolarHBondContact N-O 3.2Å; I295-H306 PolarHBondContact O-N 3.23Å
307K90.4Very high84.1Confident138 Ų13869.3 Ų69.360%0.632%0.319SS*.EExtended strand (participates in β ladder)trans-134.5112.7173.9-173.9-177.2177.5-177.90108.5V292 R294 L304V292-K307 HydrophobicContact CG1-CD 4.43Å; V292-K307 HydrophobicContact CG1-CG 3.53Å; R294-K307 HydrophobicContact CG-CG 4.45Å; L304-K307 HydrophobicContact CD2-CB 4.21Å; L304-K307 HydrophobicContact CD2-CD 4.5Å
308V89.9Confident84.1Confident13 Ų1364 Ų648%0.07930%0.3CS..EExtended strand (participates in β ladder)trans-123.9120.7-176.7-176.20000109.5V23 V292 L293 L310V23-V308 HydrophobicContact CG1-CB 4.4Å; V23-V308 HydrophobicContact CG1-CG1 4.14Å; V23-V308 HydrophobicContact CG1-CG2 4.12Å; V292-V308 CarbonylContact C-O 3.52Å; V292-V308 WeakPolarHBondContact CA-O 3.14Å; L293-V308 HydrophobicContact CB-CB 4.49Å; L293-V308 PolarHBondContact N-O 2.85Å; L293-V308 PolarHBondContact O-N 2.97Å; V308-L310 HydrophobicContact CG1-CD2 3.99Å; V308-L310 HydrophobicContact CG1-CG 4.48Å
309Y90.8Very high84.4Confident128 Ų12863.8 Ų63.850%0.50230%0.299SS..EExtended strand (participates in β ladder)trans-85.3122176.8179.7-116.4000110.6R291 V292 K311R291-Y309 HydrophobicContact CB-CD2 4.35Å; R291-Y309 HydrophobicContact CB-CE2 3.82Å; R291-Y309 WeakPolarHBondContact O-CD2 3.49Å; V292-Y309 HydrophobicContact CG2-CD2 3.74Å; Y309-K311 HydrophobicContact CD1-CG 3.88Å; Y309-K311 HydrophobicContact CE1-CB 4.16Å; Y309-K311 HydrophobicContact CE1-CG 3.51Å
310L86.5Confident84.7Confident5 Ų556.2 Ų56.23%0.02626%0.264CS..  trans-106.39-173.4-66.5178.4000113.4V13 K21 V23 A30 R291 L293 V308 S312 L314V13-L310 HydrophobicContact CB-CD1 4.28Å; V13-L310 HydrophobicContact CG1-CD1 4.42Å; V13-L310 HydrophobicContact CG2-CD1 4.07Å; K21-L310 HydrophobicContact CD-CB 4.24Å; K21-L310 HydrophobicContact CD-CD2 4.34Å; K21-L310 PolarHBondContact NZ-O 2.68Å; V23-L310 HydrophobicContact CG2-CD1 4.15Å; V23-L310 HydrophobicContact CG2-CD2 3.83Å; A30-L310 HydrophobicContact CB-CD2 3.42Å; A30-L310 VanDerWaalsContact CB-CD2 3.42Å; R291-L310 PolarHBondContact O-N 3.35Å; L293-L310 HydrophobicContact CB-CD1 3.89Å; L293-L310 HydrophobicContact CB-CG 4.48Å; V308-L310 HydrophobicContact CG1-CD2 3.99Å; V308-L310 HydrophobicContact CG1-CG 4.48Å; L310-S312 PolarHBondContact O-N 3.09Å; L310-L314 HydrophobicContact CB-CD2 4.05Å; L310-L314 HydrophobicContact CD1-CD1 3.88Å; L310-L314 HydrophobicContact CD1-CD2 3.91Å
311K87.2Confident84.4Confident163 Ų16353.1 Ų53.171%0.70925%0.25SS*.SBendtrans60.3-17.6175.9-59.5178.7179.2-179.30117Y309Y309-K311 HydrophobicContact CD1-CG 3.88Å; Y309-K311 HydrophobicContact CE1-CB 4.16Å; Y309-K311 HydrophobicContact CE1-CG 3.51Å
312S87.6Confident84.7Confident25 Ų2554.1 Ų54.118%0.17525%0.246CC..SBendtrans-122.3153.6-175.5-51.80000110.5K21 R291 L310 L314K21-S312 PolarHBondContact NZ-OG 2.77Å; R291-S312 WeakPolarHBondContact CA-O 3.35Å; R291-S312 VanDerWaalsContact CB-O 3.24Å; R291-S312 WeakPolarHBondContact CB-O 3.44Å; R291-S312 WeakPolarHBondContact CG-O 3.01Å; L310-S312 PolarHBondContact O-N 3.09Å; S312-L314 WeakPolarHBondContact O-CD2 3.25Å
313Q89.6Confident84.2Confident70 Ų7047.5 Ų47.533%0.32723%0.228SC..  trans-69.4139.7174.8-63-17317.300110.3T15 E16 L289 R291T15-Q313 WeakPolarHBondContact CA-O 3.24Å; T15-Q313 WeakPolarHBondContact CB-O 3.34Å; E16-Q313 PolarHBondContact N-O 3.04Å; E16-Q313 PolarHBondContact OE2-OE1 3.16Å; L289-Q313 VanDerWaalsContact CD2-OE1 3.23Å; R291-Q313 HydrophobicContact CG-CG 4.11Å
314L91.1Very high83.1Confident0 Ų051.7 Ų51.70%025%0.247CC..EExtended strand (participates in β ladder)trans-108.6133.1-171.2-49.8177.3000109.1V13 T15 R273 C287 G288 L310 S312V13-L314 HydrophobicContact CG1-CB 3.8Å; V13-L314 HydrophobicContact CG1-CD1 3.99Å; V13-L314 HydrophobicContact CG1-CD2 3.6Å; V13-L314 HydrophobicContact CG1-CG 3.95Å; T15-L314 HydrophobicContact CG2-CD2 3.86Å; R273-L314 VanDerWaalsContact CD-O 3.24Å; R273-L314 WeakPolarHBondContact CD-O 3.35Å; C287-L314 HydrophobicContact CB-CB 3.82Å; C287-L314 HydrophobicContact CB-CD1 3.81Å; C287-L314 HydrophobicContact CB-CG 4.47Å; G288-L314 PolarHBondContact O-N 3.33Å; L310-L314 HydrophobicContact CB-CD2 4.05Å; L310-L314 HydrophobicContact CD1-CD1 3.88Å; L310-L314 HydrophobicContact CD1-CD2 3.91Å; S312-L314 WeakPolarHBondContact O-CD2 3.25Å
315N90.2Very high81.8Confident30 Ų3050.5 Ų50.516%0.1624%0.237CC..EExtended strand (participates in β ladder)trans-105.6-48.8-176.4-74.4-9.9000112.4G14 V45 R273G14-N315 PolarHBondContact O-N 2.82Å; V45-N315 VanDerWaalsContact O-CB 3.27Å; V45-N315 WeakPolarHBondContact O-CB 3.38Å; V45-N315 PolarHBondContact O-ND2 2.88Å; R273-N315 PolarHBondContact NH1-OD1 2.91Å
316C88.4Confident80Confident6 Ų654 Ų544%0.04125%0.254CS..EExtended strand (participates in β ladder)trans-137.8160.8-173.749.70000110V13 G14 V45 L48V13-C316 WeakPolarHBondContact CG1-O 3.32Å; G14-C316 PolarHBondContact N-O 2.87Å; V45-C316 VanDerWaalsContact CG1-SG 3.59Å; L48-C316 HydrophobicContact CD1-CB 4.4Å; L48-C316 HydrophobicContact CG-CB 4.46Å
317L91.3Very high78.1Confident16 Ų1658.4 Ų58.48%0.08428%0.278CS..EExtended strand (participates in β ladder)trans-139.2144-174.5-165140.7000108.8V11 W12 V13 Q276 A285 C287 L293 L319V11-L317 HydrophobicContact CG1-CD1 4.03Å; V11-L317 HydrophobicContact CG1-CD2 3.92Å; V11-L317 HydrophobicContact CG1-CG 3.85Å; W12-L317 CarbonylContact O-C 3.55Å; W12-L317 WeakPolarHBondContact O-CA 3.25Å; V13-L317 HydrophobicContact CG2-CD1 4.34Å; V13-L317 HydrophobicContact CG2-CG 4.47Å; Q276-L317 HydrophobicContact CB-CD2 3.77Å; Q276-L317 PolarHBondContact OE1-O 3.14Å; Q276-L317 VanDerWaalsContact OE1-O 3.11Å; A285-L317 HydrophobicContact CB-CD1 3.97Å; A285-L317 HydrophobicContact CB-CD2 3.53Å; A285-L317 HydrophobicContact CB-CG 4.42Å; C287-L317 HydrophobicContact CB-CD1 3.82Å; L293-L317 HydrophobicContact CD1-CD1 3.31Å; L317-L319 HydrophobicContact CD2-CB 4.39Å
318L89.5Confident75.9Confident10 Ų1053.8 Ų53.85%0.05226%0.259CS..EExtended strand (participates in β ladder)trans-135.1124.3174-166.869.2000108.8W12 L48 W50 I58W12-L318 HydrophobicContact CB-CB 4.17Å; W12-L318 PolarHBondContact N-O 3.18Å; W12-L318 PolarHBondContact O-N 3.3Å; L48-L318 HydrophobicContact CB-CB 4.18Å; L48-L318 HydrophobicContact CD1-CB 4.28Å; W50-L318 HydrophobicContact CD2-CD1 4.42Å; W50-L318 HydrophobicContact CD2-CD2 3.45Å; W50-L318 VanDerWaalsContact CD2-CD2 3.45Å; W50-L318 HydrophobicContact CD2-CG 4Å; W50-L318 VanDerWaalsContact CE2-CG 3.41Å; W50-L318 HydrophobicContact CE3-CD2 3.9Å; W50-L318 HydrophobicContact CG-CD1 4.15Å; W50-L318 HydrophobicContact CG-CD2 3.86Å; W50-L318 HydrophobicContact CG-CG 4.26Å; W50-L318 HydrophobicContact CH2-CD2 4.15Å; W50-L318 HydrophobicContact CZ2-CD2 3.72Å; W50-L318 HydrophobicContact CZ2-CG 3.74Å; W50-L318 HydrophobicContact CZ3-CD2 4.24Å; I58-L318 HydrophobicContact CD1-CD2 4.32Å; I58-L318 HydrophobicContact CG1-CD2 4.06Å; I58-L318 HydrophobicContact CG2-CD2 4.01Å
319L87.8Confident73.7Confident6 Ų658.6 Ų58.63%0.03129%0.29CS..EExtended strand (participates in β ladder)trans-107.7135.5179.7-158.7138.2000110.4V11 W50 Q276 H278 A285 L317V11-L319 HydrophobicContact CG2-CD1 3.9Å; V11-L319 HydrophobicContact CG2-CG 4.2Å; W50-L319 PolarHBondContact NE1-O 3.35Å; Q276-L319 VanDerWaalsContact CD-N 3.3Å; Q276-L319 HydrophobicContact CG-CB 4.1Å; H278-L319 HydrophobicContact CB-CD2 3.76Å; H278-L319 WeakPolarHBondContact CD2-CD2 3.3Å; A285-L319 HydrophobicContact CB-CD1 3.48Å; A285-L319 VanDerWaalsContact CB-CD1 3.48Å; L317-L319 HydrophobicContact CD2-CB 4.39Å
320S83.1Confident71.4Confident3 Ų360.1 Ų60.12%0.02130%0.302CS..  trans-79.1124.3173.5165.60000109H10 E55 R322H10-S320 WeakPolarHBondContact O-CB 3.09Å; H10-S320 PolarHBondContact O-N 3.36Å; E55-S320 WeakPolarHBondContact OE2-CA 3.46Å; E55-S320 VanDerWaalsContact OE2-CB 3.25Å; E55-S320 WeakPolarHBondContact OE2-CB 3.46Å; E55-S320 PolarHBondContact OE2-OG 3.4Å; S320-R322 VanDerWaalsContact C-N 3.29Å; S320-R322 PolarHBondContact OG-N 3.46Å
321G70.6Confident69.2Low14 Ų1467.4 Ų67.414%0.14434%0.336CS..  trans-82.9917400000114.7E55 P279 D323E55-G321 VanDerWaalsContact OE1-CA 3.22Å; E55-G321 WeakPolarHBondContact OE1-CA 3.29Å; E55-G321 PolarHBondContact OE1-N 2.93Å; E55-G321 PolarHBondContact OE2-N 3.4Å; P279-G321 VanDerWaalsContact CG-CA 3.45Å; G321-D323 PolarHBondContact O-N 3.39Å
322R70.1Confident66.8Low88 Ų8865.2 Ų65.233%0.33234%0.338SS..  trans-54.8113.7170-76.6169.1-167.3-161.53.7110R7 E55 S320 N324R7-R322 PolarHBondContact O-NH1 2.77Å; E55-R322 PolarHBondContact O-NH2 3.42Å; E55-R322 WeakPolarHBondContact OE2-CG 3.07Å; E55-R322 IonicContact OE2-NE 2.81Å; S320-R322 VanDerWaalsContact C-N 3.29Å; S320-R322 PolarHBondContact OG-N 3.46Å; R322-N324 PolarHBondContact O-N 2.85Å
323D55.2Low64.4Low94 Ų9471.1 Ų71.150%0.50336%0.363SS..SBendtrans-63.7-32.7-178.5-76.5-38.2000112.3H278 S280 K281 G321 W325H278-D323 IonicContact CE1-OD1 3.75Å; S280-D323 WeakPolarHBondContact CB-OD1 2.68Å; S280-D323 PolarHBondContact OG-OD1 3.21Å; K281-D323 WeakPolarHBondContact CE-O 3.43Å; K281-D323 PolarHBondContact NZ-O 2.84Å; G321-D323 PolarHBondContact O-N 3.39Å; D323-W325 PolarHBondContact O-N 3.26Å
324N52.9Low62Low100 Ų10075.5 Ų75.554%0.53538%0.384SS..  trans-88.899.5176.7-69.416000109.3R322 E326R322-N324 PolarHBondContact O-N 2.85Å; N324-E326 HydrophobicContact CB-CB 4.04Å; N324-E326 HydrophobicContact CB-CG 3.9Å; N324-E326 VanDerWaalsContact ND2-CD 3.32Å; N324-E326 PolarHBondContact ND2-OE2 2.84Å; N324-E326 PolarHBondContact O-N 2.94Å
325W56.1Low59.5Low51 Ų5181 Ų8119%0.19342%0.42CS..  trans-77.333.8150.8-60-8.6000109.3H10 L25 Q26 L283 D323H10-W325 AromaticContact CE1-CD1 3.53Å; H10-W325 AromaticContact CE1-CG 3.82Å; H10-W325 AromaticContact CG-NE1 3.9Å; H10-W325 AromaticContact ND1-CD1 3.49Å; H10-W325 AromaticContact ND1-NE1 3.77Å; H10-W325 AromaticContact NE2-CG 3.98Å; L25-W325 HydrophobicContact CD1-CH2 3.89Å; L25-W325 HydrophobicContact CD1-CZ2 3.84Å; Q26-W325 PolarHBondContact NE2-O 3.33Å; L283-W325 HydrophobicContact CD1-CH2 3.32Å; L283-W325 HydrophobicContact CD1-CZ2 3.64Å; L283-W325 HydrophobicContact CD1-CZ3 4.27Å; D323-W325 PolarHBondContact O-N 3.26Å
326E46.2Very low57.1Low140 Ų14086 Ų8665%0.65445%0.446SS*.PPolyproline II helixtrans-75.8142.7-178.1-70.1-178.4160.100110N324N324-E326 HydrophobicContact CB-CB 4.04Å; N324-E326 HydrophobicContact CB-CG 3.9Å; N324-E326 VanDerWaalsContact ND2-CD 3.32Å; N324-E326 PolarHBondContact ND2-OE2 2.84Å; N324-E326 PolarHBondContact O-N 2.94Å
327D45.7Very low54.9Low126 Ų12694.8 Ų94.867%0.67448%0.483SS*.PPolyproline II helixtrans-54.1143.4-167.3-60.2-57.2000112.6
328E44Very low52.5Low42 Ų4299.6 Ų99.620%0.19651%0.513CS..PPolyproline II helixtrans-55.9136.6141.1-87.3-155.9108.600107.7W8 R27 Q330W8-E328 HydrophobicContact CD2-CG 3.6Å; W8-E328 HydrophobicContact CE3-CG 3.8Å; W8-E328 HydrophobicContact CG-CG 4.43Å; W8-E328 HydrophobicContact CH2-CG 3.51Å; W8-E328 WeakPolarHBondContact CH2-OE1 3.38Å; W8-E328 WeakPolarHBondContact CH2-OE2 3.22Å; W8-E328 HydrophobicContact CZ2-CG 3.16Å; W8-E328 WeakPolarHBondContact CZ2-OE1 3.05Å; W8-E328 HydrophobicContact CZ3-CG 3.74Å; W8-E328 VanDerWaalsContact CZ3-OE1 3.29Å; W8-E328 WeakPolarHBondContact CZ3-OE1 3.3Å; W8-E328 WeakPolarHBondContact CZ3-OE2 3.28Å; R27-E328 IonicContact CZ-OE2 3.88Å; R27-E328 IonicContact NH1-OE2 3.95Å; R27-E328 IonicContact NH2-OE2 3.69Å; R27-E328 PolarHBondContact NH2-OE2 3.24Å; E328-Q330 PolarHBondContact O-N 3.23Å
329P43.7Very low50Low114 Ų114104.3 Ų104.374%0.7454%0.544SS*.PPolyproline II helixtrans-50.1120.8155.322.9-29000105.8E331P329-E331 PolarHBondContact O-N 3.45Å
330Q41.6Very low47.8Very low160 Ų160111.3 Ų111.375%0.74858%0.581SS**  trans-47.1113.8168.7-77.7176.7-24.200104.9E328 P332E328-Q330 PolarHBondContact O-N 3.23Å; Q330-P332 WeakPolarHBondContact O-CD 3.49Å
331E40.7Very low45.9Very low158 Ų158119 Ų11974%0.73862%0.617SS**PPolyproline II helixtrans-46.3122.6161.1-77.7-176.4160.600103.7P329 Q333P329-E331 PolarHBondContact O-N 3.45Å; E331-Q333 PolarHBondContact O-N 2.81Å
332P36.6Very low44.8Very low116 Ų116123.2 Ų123.275%0.75364%0.636SS**PPolyproline II helixtrans-50.2116.9-179.417.4-28.1000104.7Q330 E334Q330-P332 WeakPolarHBondContact O-CD 3.49Å; P332-E334 PolarHBondContact O-N 2.9Å
333Q38.5Very low43.9Very low150 Ų150123.6 Ų123.670%0.70165%0.648SS**PPolyproline II helixtrans-47.4116.6168.7-69.1180-7.200103.2E331E331-Q333 PolarHBondContact O-N 2.81Å
334E38.7Very low43.8Very low162 Ų162126.6 Ų126.676%0.75766%0.659SS**  trans-44.8120.1167.1-78.1-171.5165.400103.7P332 N336P332-E334 PolarHBondContact O-N 2.9Å; E334-N336 PolarHBondContact O-N 2.86Å
335P38.1Very low43.9Very low116 Ų116125 Ų12575%0.75365%0.653SS**  trans-48.6122.4-171.518.7-30.9000104.9K337P335-K337 PolarHBondContact O-N 2.6Å
336N40.3Very low44Very low134 Ų134127.5 Ų127.572%0.71767%0.671SS**  trans-28.5113.9177.9-86.6-29.3000105.9E334 V338E334-N336 PolarHBondContact O-N 2.86Å; N336-V338 PolarHBondContact O-N 2.87Å
337K41.4Very low44.8Very low190 Ų190128 Ų12883%0.82667%0.673SS**  trans-56.496.2169-85.5-177.9179.3175.30103.3P335 P339P335-K337 PolarHBondContact O-N 2.6Å; K337-P339 WeakPolarHBondContact O-CD 3.43Å
338V41.3Very low45.6Very low117 Ų117127.3 Ų127.371%0.70967%0.669SS**  trans-47.4120.1162.6-167.10000100.9N336 L340N336-V338 PolarHBondContact O-N 2.87Å; V338-L340 PolarHBondContact O-N 2.88Å
339P37.8Very low46.3Very low109 Ų109133.6 Ų133.671%0.70869%0.691SS**  trans-48.6118.4168.7-18.729.5000104K337 E341K337-P339 WeakPolarHBondContact O-CD 3.43Å; P339-E341 VanDerWaalsContact C-N 3.34Å; P339-E341 PolarHBondContact O-N 2.87Å
340L42.3Very low47.5Very low154 Ų154131.1 Ų131.181%0.80668%0.679SS**  trans-49.3115167.3-81.7148.3000103.4V338 D342V338-L340 PolarHBondContact O-N 2.88Å; L340-D342 PolarHBondContact O-N 2.79Å
341E43.1Very low48.8Very low163 Ų163127.3 Ų127.376%0.76267%0.67SS**  trans-56.799.1170.6-77.3176.6159.500104.4P339 T343P339-E341 VanDerWaalsContact C-N 3.34Å; P339-E341 PolarHBondContact O-N 2.87Å; E341-T343 PolarHBondContact O-N 2.77Å
342D47.1Very low50Low104 Ų104124.4 Ų124.456%0.55666%0.66SS**  trans-66.984.8169.8-74.3-30.9000104.8L340 E344 T345L340-D342 PolarHBondContact O-N 2.79Å; D342-E344 PolarHBondContact O-N 2.96Å; D342-T345 HydrophobicContact CB-CG2 3.81Å; D342-T345 PolarHBondContact O-N 3.28Å; D342-T345 PolarHBondContact O-OG1 2.93Å
343T50.5Low51.4Low95 Ų95124.6 Ų124.658%0.58365%0.65SS**Hα-helixtrans-53.7-21.8178.248.80000111.8E341 E347E341-T343 PolarHBondContact O-N 2.77Å; T343-E347 WeakPolarHBondContact O-CG 3.49Å; T343-E347 PolarHBondContact O-N 3.44Å
344E53.3Low52.7Low157 Ų157119.6 Ų119.673%0.73464%0.635SS**Hα-helixtrans-71.9-28.6174.1-60.2-172.4167.900113.2D342 L348D342-E344 PolarHBondContact O-N 2.96Å; E344-L348 WeakPolarHBondContact O-CB 3.36Å; E344-L348 PolarHBondContact O-N 2.97Å
345T54.6Low54Low66 Ų66114.4 Ų114.441%0.40562%0.619SS.*Hα-helixtrans-79.1-37.8179.561.80000112.2D342 L348 W349D342-T345 HydrophobicContact CB-CG2 3.81Å; D342-T345 PolarHBondContact O-N 3.28Å; D342-T345 PolarHBondContact O-OG1 2.93Å; T345-L348 PolarHBondContact O-N 3.49Å; T345-W349 PolarHBondContact O-N 3.28Å
346D58.9Low55.2Low105 Ų105111.2 Ų111.256%0.56160%0.603SS**Hα-helixtrans-70-36.1177-77.2-23000112.4L348 W349 A350D346-L348 VanDerWaalsContact C-N 3.33Å; D346-W349 PolarHBondContact O-N 3.38Å; D346-A350 WeakPolarHBondContact O-CB 3.47Å; D346-A350 PolarHBondContact O-N 3.45Å
347E63.7Low56.4Low149 Ų149111.5 Ų111.570%0.69660%0.598SS**Hα-helixtrans-65.9-36171.7-74.3-174.5175.500112.1T343 S351T343-E347 WeakPolarHBondContact O-CG 3.49Å; T343-E347 PolarHBondContact O-N 3.44Å; E347-S351 WeakPolarHBondContact O-CB 3.45Å; E347-S351 PolarHBondContact O-N 3.05Å
348L61.1Low57.2Low113 Ų113111.2 Ų111.259%0.59259%0.592SS**Hα-helixtrans-68.7-40.7176.4-127.7113.6000112.1E344 T345 D346 S351 L352E344-L348 WeakPolarHBondContact O-CB 3.36Å; E344-L348 PolarHBondContact O-N 2.97Å; T345-L348 PolarHBondContact O-N 3.49Å; D346-L348 VanDerWaalsContact C-N 3.33Å; L348-S351 PolarHBondContact O-N 3.01Å; L348-L352 PolarHBondContact O-N 3.29Å
349W59.8Low58Low174 Ų174113.1 Ų113.166%0.65959%0.59SS**Hα-helixtrans-68.8-38.5176.4-80.6112.4000112.4T345 D346 S351 L352 E353T345-W349 PolarHBondContact O-N 3.28Å; D346-W349 PolarHBondContact O-N 3.38Å; W349-S351 PolarHBondContact O-N 2.75Å; W349-L352 PolarHBondContact O-N 2.8Å; W349-E353 PolarHBondContact O-N 2.99Å
350A67.9Low58.8Low61 Ų61113 Ų11350%0.50458%0.583SS.*Hα-helixtrans-64.6-38.7174.600000112.5D346 A354D346-A350 WeakPolarHBondContact O-CB 3.47Å; D346-A350 PolarHBondContact O-N 3.45Å; A350-A354 WeakPolarHBondContact O-CB 3.4Å; A350-A354 PolarHBondContact O-N 3.34Å
351S68.7Low59.2Low80 Ų80108 Ų10856%0.55956%0.561SS**Hα-helixtrans-62.7-42.8173.2168.30000112.2E347 L348 W349 A354 A355E347-S351 WeakPolarHBondContact O-CB 3.45Å; E347-S351 PolarHBondContact O-N 3.05Å; L348-S351 PolarHBondContact O-N 3.01Å; W349-S351 PolarHBondContact O-N 2.75Å; S351-A354 PolarHBondContact O-N 3.07Å; S351-A355 WeakPolarHBondContact O-CB 3.37Å; S351-A355 PolarHBondContact O-N 3.11Å
352L66.9Low59.8Low98 Ų98105.1 Ų105.151%0.51355%0.551SS.*Hα-helixtrans-67.7-40.1177.4-105.3140.6000112.8L348 W349 A355 A356L348-L352 PolarHBondContact O-N 3.29Å; W349-L352 PolarHBondContact O-N 2.8Å; L352-A355 PolarHBondContact O-N 3.5Å; L352-A356 WeakPolarHBondContact O-CB 3.5Å; L352-A356 PolarHBondContact O-N 3.38Å
353E64.8Low60Low119 Ų119105 Ų10556%0.55655%0.55SS*.Hα-helixtrans-67.3-37.8174.7-78.6-163.1167.600112.9W349 A356 K357W349-E353 PolarHBondContact O-N 2.99Å; E353-A356 PolarHBondContact O-N 2.96Å; E353-K357 WeakPolarHBondContact O-CG 3.49Å; E353-K357 PolarHBondContact O-N 3.35Å
354A67.4Low60.1Low46 Ų46107.2 Ų107.238%0.3855%0.554SS.*Hα-helixtrans-66.3-37.7175.200000111.9A350 S351 R358A350-A354 WeakPolarHBondContact O-CB 3.4Å; A350-A354 PolarHBondContact O-N 3.34Å; S351-A354 PolarHBondContact O-N 3.07Å; A354-R358 PolarHBondContact O-N 3.4Å; A354-R358 VanDerWaalsContact O-N 3.11Å
355A65.6Low60.1Low52 Ų52106.7 Ų106.743%0.4355%0.551SS.*Hα-helixtrans-68.4-36.2174.100000112.5S351 L352 K359S351-A355 WeakPolarHBondContact O-CB 3.37Å; S351-A355 PolarHBondContact O-N 3.11Å; L352-A355 PolarHBondContact O-N 3.5Å; A355-K359 PolarHBondContact O-N 3.03Å
356A63.8Low59.8Low50 Ų50107.5 Ų107.541%0.41356%0.556SS.*Hα-helixtrans-67.7-41.7175.100000112.2L352 E353 K359 L360L352-A356 WeakPolarHBondContact O-CB 3.5Å; L352-A356 PolarHBondContact O-N 3.38Å; E353-A356 PolarHBondContact O-N 2.96Å; A356-K359 PolarHBondContact O-N 3.28Å; A356-L360 PolarHBondContact O-N 3.46Å
357K65.1Low59.3Low140 Ų140109.1 Ų109.161%0.60956%0.561SS**Hα-helixtrans-65.6-36.2175.9-76.6172.3-179161.20112.8E353 L360 S361E353-K357 WeakPolarHBondContact O-CG 3.49Å; E353-K357 PolarHBondContact O-N 3.35Å; K357-L360 PolarHBondContact O-N 3.03Å; K357-S361 PolarHBondContact O-N 3.3Å; K357-S361 PolarHBondContact O-OG 2.96Å
358R58.4Low58.4Low184 Ų184104.6 Ų104.669%0.69455%0.553SS**Hα-helixtrans-65.2-38.4172.8-79.3178.8-178.8154.51.7112.9A354 L360 S361 D362A354-R358 PolarHBondContact O-N 3.4Å; A354-R358 VanDerWaalsContact O-N 3.11Å; R358-L360 VanDerWaalsContact C-N 3.35Å; R358-S361 WeakPolarHBondContact CA-OG 3.41Å; R358-S361 PolarHBondContact O-N 3.37Å; R358-S361 PolarHBondContact O-OG 3.15Å; R358-D362 PolarHBondContact O-N 3.4Å; R358-D362 VanDerWaalsContact O-N 3.17Å
359K56.8Low57.6Low156 Ų156102.8 Ų102.868%0.67856%0.555SS**Hα-helixtrans-67.9-33.6174.6-78.5-175.2176.1-1800112.8A355 A356 L363A355-K359 PolarHBondContact O-N 3.03Å; A356-K359 PolarHBondContact O-N 3.28Å; K359-L363 WeakPolarHBondContact O-CD1 3.47Å; K359-L363 PolarHBondContact O-N 3.32Å
360L54.6Low56.9Low106 Ų106101.5 Ų101.556%0.55556%0.56SS**Hα-helixtrans-69.4-39.6174.7-83.5151.8000112.2A356 K357 R358 D362 L363 E364A356-L360 PolarHBondContact O-N 3.46Å; K357-L360 PolarHBondContact O-N 3.03Å; R358-L360 VanDerWaalsContact C-N 3.35Å; L360-D362 PolarHBondContact O-N 3.06Å; L360-L363 PolarHBondContact O-N 3.47Å; L360-E364 PolarHBondContact O-N 3.07Å
361S52.1Low55.7Low49 Ų49107 Ų10734%0.34358%0.576SS.*Hα-helixtrans-67-34.5175.556.20000113.5K357 R358 L363 E364 Q365K357-S361 PolarHBondContact O-N 3.3Å; K357-S361 PolarHBondContact O-OG 2.96Å; R358-S361 WeakPolarHBondContact CA-OG 3.41Å; R358-S361 PolarHBondContact O-N 3.37Å; R358-S361 PolarHBondContact O-OG 3.15Å; S361-L363 VanDerWaalsContact C-N 3.35Å; S361-E364 PolarHBondContact O-N 3.49Å; S361-Q365 WeakPolarHBondContact O-CG 3.4Å; S361-Q365 PolarHBondContact O-N 3.32Å
362D54.5Low54.5Low103 Ų103109.1 Ų109.155%0.55159%0.585SS**Hα-helixtrans-71.1-29.6175-79-15.7000112.4R358 L360 T366R358-D362 PolarHBondContact O-N 3.4Å; R358-D362 VanDerWaalsContact O-N 3.17Å; L360-D362 PolarHBondContact O-N 3.06Å; D362-T366 PolarHBondContact O-N 3.07Å; D362-T366 PolarHBondContact O-OG1 3.06Å
363L52.4Low53.4Low102 Ų102115.8 Ų115.853%0.53460%0.603SS.*Hα-helixtrans-75.3-33.9173.8-87.6156.5000112.8K359 L360 S361 T366 Q367K359-L363 WeakPolarHBondContact O-CD1 3.47Å; K359-L363 PolarHBondContact O-N 3.32Å; L360-L363 PolarHBondContact O-N 3.47Å; S361-L363 VanDerWaalsContact C-N 3.35Å; L363-T366 WeakPolarHBondContact CA-OG1 3.47Å; L363-T366 PolarHBondContact O-OG1 3.47Å; L363-T366 VanDerWaalsContact O-OG1 3.07Å; L363-Q367 WeakPolarHBondContact O-CG 3.46Å; L363-Q367 PolarHBondContact O-N 3.21Å
364E52.6Low52.2Low141 Ų141122.1 Ų122.166%0.65962%0.622SS**Hα-helixtrans-75.2-34.9175.4-74-177.8159.900112.5L360 S361 T366 Q367 G368L360-E364 PolarHBondContact O-N 3.07Å; S361-E364 PolarHBondContact O-N 3.49Å; E364-T366 VanDerWaalsContact C-N 3.35Å; E364-T366 PolarHBondContact O-N 2.82Å; E364-Q367 PolarHBondContact O-N 3.17Å; E364-G368 PolarHBondContact O-N 2.86Å; E364-G368 VanDerWaalsContact O-N 3.15Å
365Q51.7Low50.7Low146 Ų146131.7 Ų131.768%0.68265%0.649SS**Hα-helixtrans-68.2-32.1174.3-75.2-174.14.700113S361S361-Q365 WeakPolarHBondContact O-CG 3.4Å; S361-Q365 PolarHBondContact O-N 3.32Å
366T49.6Very low49.5Very low84 Ų84139.1 Ų139.152%0.51567%0.671SS.*Hα-helixtrans-76.2-26.8176.341.40000113.2D362 L363 E364D362-T366 PolarHBondContact O-N 3.07Å; D362-T366 PolarHBondContact O-OG1 3.06Å; L363-T366 WeakPolarHBondContact CA-OG1 3.47Å; L363-T366 PolarHBondContact O-OG1 3.47Å; L363-T366 VanDerWaalsContact O-OG1 3.07Å; E364-T366 VanDerWaalsContact C-N 3.35Å; E364-T366 PolarHBondContact O-N 2.82Å
367Q47.5Very low48.1Very low139 Ų139146.5 Ų146.565%0.6569%0.694SS**Hα-helixtrans-79.5-31.2173.6-71.1-171.76.300113.5L363 E364 A369 L370L363-Q367 WeakPolarHBondContact O-CG 3.46Å; L363-Q367 PolarHBondContact O-N 3.21Å; E364-Q367 PolarHBondContact O-N 3.17Å; Q367-A369 VanDerWaalsContact C-N 3.28Å; Q367-A369 PolarHBondContact O-N 3.18Å; Q367-L370 PolarHBondContact O-N 3.33Å
368G44.6Very low46.7Very low53 Ų53149.5 Ų149.555%0.54671%0.707SS.*Hα-helixtrans-65-26.9174.900000114.4E364E364-G368 PolarHBondContact O-N 2.86Å; E364-G368 VanDerWaalsContact O-N 3.15Å
369A45.2Very low45.5Very low75 Ų75152.5 Ų152.562%0.6272%0.718SS**THydrogen-bonded Turntrans-78.9-14.2178.900000114.3Q367Q367-A369 VanDerWaalsContact C-N 3.28Å; Q367-A369 PolarHBondContact O-N 3.18Å
370L43.7Very low44.6Very low148 Ų148150.9 Ų150.978%0.77572%0.724SS**THydrogen-bonded Turntrans-93.8-11.8-178.4-98.5133.9000114.2Q367Q367-L370 PolarHBondContact O-N 3.33Å
371Q43.3Very low43.7Very low177 Ų177149.4 Ų149.483%0.82774%0.735SS**THydrogen-bonded Turntrans-90.3-4.4-179.4-72.4-167.3-4.300115.4
372T43.7Very low42.9Very low124 Ų124152.2 Ų152.276%0.76175%0.754SS**THydrogen-bonded Turntrans-97.318.5179.534.90000115.5
373R44.9Very low41.9Very low237 Ų237153.4 Ų153.489%0.89477%0.765SS**  trans-131.967.3172.1-97.4-175.2161-169.3-2.3113.3
374R37.8Very low41.1Very low252 Ų252153.8 Ų153.895%0.95178%0.776SS**  trans-125.699.7153.1-88.7-173165.4-176-3.5110.9
375R37.8Very low41.4Very low247 Ų247156.6 Ų156.693%0.93281%0.807SS**  trans-62.8140175.2-86.7174.9153.4177.7-7.3111.6
376K38.6Very low40.9Very low208 Ų208157.2 Ų157.290%0.90481%0.813SS**  trans-41.2129.8160.9-71.3171.3172.4173.30112.3
377K36Very low40.4Very low206 Ų206161 Ų16190%0.89683%0.829SS**  trans-127.4116.4151.8-111.1-177.8177.9-178.60108.4
378K34.3Very low40Very low203 Ų203162.2 Ų162.288%0.88384%0.839SS**PPolyproline II helixtrans-65.6140.8176.3-71.7177.3171.7-177.70110.1
379W33.7Very low39.7Very low246 Ų246168.6 Ų168.693%0.93286%0.856SS**PPolyproline II helixtrans-95.1143.8158.8-797.9000109.4
380P39Very low39.4Very low123 Ų123174.5 Ų174.580%0.79987%0.871SS**PPolyproline II helixtrans-93.6137153.931.8-21.2000110.4
381G34.5Very low39.1Very low75 Ų75176.3 Ų176.377%0.77388%0.877SS**  trans-66.6174.516000000110
382S35.4Very low38.8Very low107 Ų107176.2 Ų176.275%0.74888%0.881SS**  cis-169.5156.923.545.50000104.5
383T34.2Very low38.5Very low128 Ų128180.2 Ų180.279%0.78589%0.89SS**  176.1149.173.6300000108.4
384S34.7Very low37.9Very low110 Ų110175.5 Ų175.577%0.76989%0.89SS**  trans-57.1178.7163.825.80000114.1
385P59.1Low37.9Very low201 Ų201168.5 Ų168.5100%1.30588%0.884SS**  cis-111.708.130-12.6000116.8

Retrieved 385 of 385 residues in 658.4 ms (Link to these results)