A0A077ZJL5_TRITR Loading...

rRNA-processing protein FCF1 homolog

AlphaFold DB , UniProt , Accession A0A077ZJL5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 158 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
1M40.4Very low51Low248 Ų248179.4 Ų179.4100%1.22285%0.85SS**  095.20-131.6163.4153.600108.2R3M1-R3 PolarHBondContact O-N 2.84Å
2K43.1Very low51.7Low208 Ų208168.1 Ų168.190%0.90480%0.804SS**  trans-79.7114.9179.8-73.6-177.5177.2-178.80108.2T4K2-T4 PolarHBondContact O-N 3.47Å
3R42.8Very low52.3Low243 Ų243164.1 Ų164.192%0.91781%0.805SS**  trans-60.9115168-84.1177.9171.5163.4-3107.6M1 D5M1-R3 PolarHBondContact O-N 2.84Å; R3-D5 PolarHBondContact O-N 3.42Å
4T44.3Very low52.6Low124 Ų124153.3 Ų153.376%0.76176%0.755SS**  trans-70.4113.7167.843.20000108.3K2 I6K2-T4 PolarHBondContact O-N 3.47Å; T4-I6 PolarHBondContact O-N 3.06Å; T4-I6 VanDerWaalsContact O-N 3.08Å
5D47.2Very low53Low150 Ų150144.1 Ų144.180%0.80271%0.71SS**  trans-58.8108.4171.4-79.4-50000110.1R3 R7R3-D5 PolarHBondContact O-N 3.42Å; D5-R7 PolarHBondContact O-N 3.22Å
6I54.8Low52.4Low150 Ų150145.6 Ų145.677%0.76971%0.712SS**  trans-73.194.1170.5-56.6171.5000106.8T4 I8T4-I6 PolarHBondContact O-N 3.06Å; T4-I6 VanDerWaalsContact O-N 3.08Å; I6-I8 HydrophobicContact CG2-CG1 4.24Å; I6-I8 PolarHBondContact O-N 3.37Å
7R52.2Low52.3Low232 Ų232146 Ų14688%0.87572%0.717SS**  trans-71.196.8170.3-73.2-172.5-179.9-167.80.7109D5 P9D5-R7 PolarHBondContact O-N 3.22Å; R7-P9 WeakPolarHBondContact O-CD 3.27Å
8I55.5Low52.5Low143 Ų143146.4 Ų146.473%0.73372%0.717SS**PPolyproline II helixtrans-68.7117.5172.1-55.4171.6000107.7I6 R10I6-I8 HydrophobicContact CG2-CG1 4.24Å; I6-I8 PolarHBondContact O-N 3.37Å; I8-R10 PolarHBondContact O-N 3.44Å
9P60.5Low52.5Low109 Ų109144.3 Ų144.371%0.70870%0.701SS**PPolyproline II helixtrans-64.8122.3178.324-30000109.6R7 V11R7-P9 WeakPolarHBondContact O-CD 3.27Å; P9-V11 PolarHBondContact O-N 3.16Å
10R57.9Low52.9Low247 Ų247137.4 Ų137.493%0.93267%0.668SS**PPolyproline II helixtrans-61.8122.2173.7-76.7-176.6166.5175.7-4108.9I8 S12I8-R10 PolarHBondContact O-N 3.44Å; R10-S12 PolarHBondContact O-N 3.19Å
11V62.4Low53.1Low119 Ų119134.5 Ų134.572%0.72167%0.666SS**PPolyproline II helixtrans-64.6127.3172.6-178.40000108.1P9 S13 L15P9-V11 PolarHBondContact O-N 3.16Å; V11-S13 PolarHBondContact O-N 2.87Å; V11-L15 HydrophobicContact CG1-CB 4.16Å; V11-L15 HydrophobicContact CG1-CD1 3.72Å
12S59.9Low54.2Low44 Ų44131 Ų13131%0.30864%0.64SS.*PPolyproline II helixtrans-55.7132.6178.9176.90000110.6R10 A14 L15R10-S12 PolarHBondContact O-N 3.19Å; S12-A14 PolarHBondContact O-N 3.16Å; S12-A14 WeakPolarHBondContact OG-CB 3.39Å; S12-A14 PolarHBondContact OG-N 3.11Å; S12-L15 WeakPolarHBondContact O-CB 3.18Å; S12-L15 PolarHBondContact O-N 3.35Å
13S58.3Low55.6Low116 Ų116121.9 Ų121.981%0.81160%0.6SS**G310 helixtrans-56.9-20.9175.251.80000112.9V11 L15V11-S13 PolarHBondContact O-N 2.87Å; S13-L15 PolarHBondContact O-N 2.96Å
14A57.5Low57.1Low13 Ų13111.8 Ų111.811%0.10757%0.572CS.*G310 helixtrans-64.5-16.7175.800000113.8S12 N20 A21 R22S12-A14 PolarHBondContact O-N 3.16Å; S12-A14 WeakPolarHBondContact OG-CB 3.39Å; S12-A14 PolarHBondContact OG-N 3.11Å; A14-N20 VanDerWaalsContact O-CA 3.28Å; A14-N20 WeakPolarHBondContact O-CA 3.38Å; A14-A21 PolarHBondContact O-N 2.96Å; A14-R22 HydrophobicContact CB-CG 4.12Å
15L58.5Low59Low16 Ų16110 Ų1108%0.08456%0.562CS.*G310 helixtrans-93.324.7-172.3-75.7151.7000115.2V11 S12 S13 L17 Q18 Y19 K113 V132V11-L15 HydrophobicContact CG1-CB 4.16Å; V11-L15 HydrophobicContact CG1-CD1 3.72Å; S12-L15 WeakPolarHBondContact O-CB 3.18Å; S12-L15 PolarHBondContact O-N 3.35Å; S13-L15 PolarHBondContact O-N 2.96Å; L15-L17 PolarHBondContact O-N 2.67Å; L15-Q18 PolarHBondContact O-N 3.03Å; L15-Y19 CarbonylContact C-O 3.39Å; L15-Y19 WeakPolarHBondContact CA-O 3.49Å; L15-K113 HydrophobicContact CD1-CD 3.66Å; L15-K113 HydrophobicContact CD2-CD 4.4Å; L15-K113 HydrophobicContact CG-CD 4.28Å; L15-V132 HydrophobicContact CD2-CB 4.42Å; L15-V132 HydrophobicContact CD2-CG1 3.98Å
16F42.8Very low61Low167 Ų167105.4 Ų105.473%0.73254%0.541SS*.G310 helixtrans-52.6113.3-179-162.7-100.4000110Q18 Y19F16-Q18 PolarHBondContact O-N 3.25Å; F16-Y19 PolarHBondContact O-N 2.8Å
17L51.4Low62.8Low153 Ų15399.2 Ų99.280%0.80151%0.508SS*.G310 helixtrans58.532.9-178.1-60.3166.4000116.5L15 Y19L15-L17 PolarHBondContact O-N 2.67Å; L17-Y19 PolarHBondContact O-N 3.48Å
18Q55.1Low64.8Low153 Ų15390.9 Ų90.972%0.71548%0.479SS*.G310 helixtrans73.8-6-175.3-49.2-179.41.200115.4L15 F16 V132L15-Q18 PolarHBondContact O-N 3.03Å; F16-Q18 PolarHBondContact O-N 3.25Å; Q18-V132 HydrophobicContact CG-CG1 4.42Å
19Y53.5Low66.7Low107 Ų10784 Ų8442%0.4244%0.444SS..  trans-78.5131.6169.2-166.3-104000108.9L15 F16 L17 A21 P150 D151L15-Y19 CarbonylContact C-O 3.39Å; L15-Y19 WeakPolarHBondContact CA-O 3.49Å; F16-Y19 PolarHBondContact O-N 2.8Å; L17-Y19 PolarHBondContact O-N 3.48Å; Y19-A21 HydrophobicContact CD1-CB 4.4Å; Y19-A21 HydrophobicContact CE1-CB 4.44Å; Y19-P150 HydrophobicContact CD2-CB 4.35Å; Y19-P150 HydrophobicContact CD2-CG 3.79Å; Y19-P150 HydrophobicContact CE2-CB 4.47Å; Y19-P150 HydrophobicContact CE2-CG 3.88Å; Y19-D151 WeakPolarHBondContact CE2-OD2 3.5Å; Y19-D151 PolarHBondContact OH-OD2 3.26Å
20N59.4Low68.4Low6 Ų678.9 Ų78.93%0.03241%0.41CS..  trans-107.792.3179.2-173.8-6.1000109A14 R22 L23 K113 G133A14-N20 VanDerWaalsContact O-CA 3.28Å; A14-N20 WeakPolarHBondContact O-CA 3.38Å; N20-R22 PolarHBondContact O-N 3.27Å; N20-R22 PolarHBondContact OD1-N 2.99Å; N20-L23 HydrophobicContact CB-CD1 3.92Å; N20-L23 HydrophobicContact CB-CG 4.32Å; N20-L23 WeakPolarHBondContact O-CB 3.28Å; N20-L23 PolarHBondContact O-N 3.5Å; N20-K113 WeakPolarHBondContact ND2-CB 3.37Å; N20-K113 PolarHBondContact ND2-O 2.88Å; N20-G133 PolarHBondContact ND2-O 2.81Å; N20-G133 VanDerWaalsContact ND2-O 3.12Å
21A57Low70.2Confident77 Ų7767.1 Ų67.164%0.63637%0.366SS*.THydrogen-bonded Turntrans-61.7-8.6-173.600000114.4A14 Y19A14-A21 PolarHBondContact O-N 2.96Å; Y19-A21 HydrophobicContact CD1-CB 4.4Å; Y19-A21 HydrophobicContact CE1-CB 4.44Å
22R64.2Low71.6Confident175 Ų17561.7 Ų61.766%0.6633%0.333SS*.THydrogen-bonded Turntrans-86.5-11.4174-68-175.4170.7-172.8-3113.7A14 N20 G24 C114A14-R22 HydrophobicContact CB-CG 4.12Å; N20-R22 PolarHBondContact O-N 3.27Å; N20-R22 PolarHBondContact OD1-N 2.99Å; R22-G24 PolarHBondContact O-N 3.36Å; R22-C114 HydrophobicContact CB-CB 4.35Å
23L72.7Confident73.1Confident15 Ų1560.1 Ų60.18%0.07932%0.321CS..  trans-86.789.6173-73.1169.6000108.7N20 I116 G133 P135N20-L23 HydrophobicContact CB-CD1 3.92Å; N20-L23 HydrophobicContact CB-CG 4.32Å; N20-L23 WeakPolarHBondContact O-CB 3.28Å; N20-L23 PolarHBondContact O-N 3.5Å; L23-I116 HydrophobicContact CD2-CG1 4.33Å; L23-G133 WeakPolarHBondContact CD1-O 3.41Å; L23-P135 HydrophobicContact CD1-CG 3.69Å
24G74.4Confident74.7Confident31 Ų3156.9 Ų56.932%0.3230%0.295SS..  trans-138.9166.7172.400000111R22 P26R22-G24 PolarHBondContact O-N 3.36Å; G24-P26 CarbonylContact O-C 3.57Å; G24-P26 VanDerWaalsContact O-C 3.25Å
25P83Confident76.4Confident86 Ų8656.3 Ų56.356%0.55829%0.29SS*.SBendtrans-60.1138.3173-24.635.5000112.2Y27 A56P25-Y27 HydrophobicContact CG-CD2 4.48Å; P25-Y27 HydrophobicContact CG-CE2 4.02Å; P25-A56 HydrophobicContact CB-CB 4.13Å; P25-A56 HydrophobicContact CG-CB 3.77Å
26P90.6Very high78.1Confident54 Ų5455.5 Ų55.535%0.35129%0.286SS..SBendcis-72.3129.8-2.930.5-33.8000112.2G24 H28 K57 V59G24-P26 CarbonylContact O-C 3.57Å; G24-P26 VanDerWaalsContact O-C 3.25Å; P26-H28 PolarHBondContact O-CD2 3.41Å; P26-H28 VanDerWaalsContact O-CD2 3.25Å; P26-H28 PolarHBondContact O-N 3.18Å; P26-H28 PolarHBondContact O-NE2 3.43Å; P26-K57 CarbonylContact C-O 3.57Å; P26-K57 VanDerWaalsContact CA-O 3.23Å; P26-K57 WeakPolarHBondContact CA-O 3.26Å; P26-K57 HydrophobicContact CB-CB 4.32Å; P26-K57 HydrophobicContact CB-CD 4.29Å; P26-K57 HydrophobicContact CB-CG 4.13Å; P26-V59 HydrophobicContact CB-CG2 4.03Å
27Y92.5Very high80.5Confident21 Ų2148.3 Ų48.38%0.08226%0.255CS..EExtended strand (participates in β ladder)trans-69.1128.8178-71.2-65.7000110.6P25 L54 A56 K57 C58 V59 I116 L149P25-Y27 HydrophobicContact CG-CD2 4.48Å; P25-Y27 HydrophobicContact CG-CE2 4.02Å; Y27-L54 HydrophobicContact CD2-CB 3.99Å; Y27-L54 HydrophobicContact CD2-CD1 3.84Å; Y27-L54 HydrophobicContact CD2-CG 4.38Å; Y27-L54 HydrophobicContact CE2-CB 4.17Å; Y27-L54 HydrophobicContact CG-CD1 4.04Å; Y27-A56 HydrophobicContact CD2-CB 3.81Å; Y27-A56 HydrophobicContact CE2-CB 3.62Å; Y27-K57 PolarHBondContact N-O 3.23Å; Y27-C58 CarbonylContact O-C 3.54Å; Y27-C58 WeakPolarHBondContact O-CA 3.09Å; Y27-V59 PolarHBondContact O-N 3.42Å; Y27-I116 HydrophobicContact CD1-CD1 3.82Å; Y27-I116 HydrophobicContact CG-CD1 3.99Å; Y27-L149 HydrophobicContact CE1-CD1 4.39Å; Y27-L149 HydrophobicContact CE1-CD2 4.42Å
28H94Very high82.5Confident56 Ų5644.5 Ų44.526%0.25923%0.232SC..EExtended strand (participates in β ladder)trans-93.2113.7177.7-58.4-85.8000109.4P26 Y61 Y115 I116P26-H28 PolarHBondContact O-CD2 3.41Å; P26-H28 VanDerWaalsContact O-CD2 3.25Å; P26-H28 PolarHBondContact O-N 3.18Å; P26-H28 PolarHBondContact O-NE2 3.43Å; H28-Y61 HydrophobicContact CB-CD2 4.01Å; H28-Y61 HydrophobicContact CB-CE2 3.56Å; H28-Y61 PolarHBondContact CE1-OH 3.19Å; H28-Y61 AromaticContact CG-CE2 3.72Å; H28-Y61 AromaticContact ND1-CE2 3.14Å; H28-Y61 WeakPolarHBondContact ND1-CE2 3.32Å; H28-Y61 AromaticContact ND1-CZ 3.37Å; H28-Y61 PolarHBondContact ND1-OH 3.24Å; H28-Y115 HydrophobicContact CB-CD1 3.71Å; H28-Y115 HydrophobicContact CB-CE1 3.95Å; H28-Y115 WeakPolarHBondContact O-CA 3.41Å; H28-I116 PolarHBondContact O-N 3.42Å
29V95.5Very high84.4Confident0 Ų037.2 Ų37.20%020%0.198CC..EExtended strand (participates in β ladder)trans-112.9114.7-173-170.90000110.4L31 M50 L54 V59 P60 Y61 I116 A118V29-L31 HydrophobicContact CG1-CD2 4.06Å; V29-M50 HydrophobicContact CB-SD 3.76Å; V29-M50 HydrophobicContact CG1-SD 3.84Å; V29-M50 HydrophobicContact CG2-SD 3.82Å; V29-L54 HydrophobicContact CG2-CD1 4.48Å; V29-V59 PolarHBondContact N-O 3.45Å; V29-P60 CarbonylContact O-C 3.51Å; V29-Y61 PolarHBondContact O-N 3.24Å; V29-I116 CarbonylContact C-O 3.57Å; V29-I116 WeakPolarHBondContact CA-O 3.46Å; V29-I116 HydrophobicContact CG1-CB 4.42Å; V29-I116 HydrophobicContact CG1-CG2 4.35Å; V29-I116 HydrophobicContact CG2-CB 4.26Å; V29-A118 HydrophobicContact CG1-CB 3.71Å
30L95.8Very high86.2Confident0 Ų034.2 Ų34.20%019%0.189CC..EExtended strand (participates in β ladder)trans-79.1121.5172.4-71.8171.3000110T63 L92 V109 Y115 I116 A118L30-T63 HydrophobicContact CD2-CG2 4.32Å; L30-L92 HydrophobicContact CD2-CD1 3.45Å; L30-L92 VanDerWaalsContact CD2-CD1 3.45Å; L30-V109 HydrophobicContact CD1-CG1 3.52Å; L30-Y115 HydrophobicContact CD1-CD1 4.13Å; L30-Y115 HydrophobicContact CD1-CD2 3.84Å; L30-Y115 HydrophobicContact CD1-CG 3.61Å; L30-Y115 HydrophobicContact CD2-CD1 4.28Å; L30-Y115 HydrophobicContact CD2-CE1 4.43Å; L30-Y115 HydrophobicContact CG-CD1 3.81Å; L30-Y115 HydrophobicContact CG-CD2 4.41Å; L30-Y115 HydrophobicContact CG-CE1 4.44Å; L30-Y115 HydrophobicContact CG-CG 3.8Å; L30-I116 PolarHBondContact N-O 3.17Å; L30-A118 PolarHBondContact O-N 2.76Å
31L95.4Very high87.8Confident0 Ų040.6 Ų40.60%022%0.216CC..EExtended strand (participates in β ladder)trans-95.4137.2178.6-54.8-177.5000111.3V29 F35 V36 I46 M50 P60 Y61 V62 F89 A118V29-L31 HydrophobicContact CG1-CD2 4.06Å; L31-F35 HydrophobicContact CD2-CD1 4.03Å; L31-F35 HydrophobicContact CD2-CE1 4.15Å; L31-V36 HydrophobicContact CB-CG2 4.33Å; L31-V36 HydrophobicContact CD1-CG2 4.39Å; L31-I46 HydrophobicContact CD1-CG2 4.04Å; L31-I46 HydrophobicContact CD2-CG2 4.36Å; L31-M50 HydrophobicContact CD2-SD 4.33Å; L31-P60 HydrophobicContact CD1-CB 3.8Å; L31-P60 HydrophobicContact CG-CB 4.24Å; L31-Y61 PolarHBondContact N-O 3.08Å; L31-V62 HydrophobicContact CB-CG2 4.2Å; L31-V62 HydrophobicContact CD1-CG2 4.09Å; L31-V62 HydrophobicContact CG-CG2 4.49Å; L31-F89 HydrophobicContact CD1-CD1 3.8Å; L31-F89 HydrophobicContact CD1-CE1 3.41Å; L31-F89 VanDerWaalsContact CD1-CE1 3.41Å; L31-A118 HydrophobicContact CD2-CB 3.66Å
32D92.9Very high89.6Confident6 Ų639 Ų393%0.03220%0.197CC..PPolyproline II helixtrans-97.4151.4171.217620.1000111N34 F35 V36 I105 A118 T119D32-N34 PolarHBondContact O-N 3.27Å; D32-F35 HydrophobicContact CB-CB 4.44Å; D32-F35 WeakPolarHBondContact O-CB 3.35Å; D32-F35 PolarHBondContact O-N 3.02Å; D32-F35 VanDerWaalsContact O-N 3.09Å; D32-V36 PolarHBondContact O-N 3.34Å; D32-I105 HydrophobicContact CB-CD1 4.14Å; D32-A118 WeakPolarHBondContact CB-O 3.43Å; D32-A118 PolarHBondContact N-O 3.25Å; D32-T119 PolarHBondContact OD2-OG1 3.12Å
33T91.4Very high90.9Very high11 Ų1140.1 Ų40.17%0.06721%0.207CC..Hα-helixtrans-51-45.6177.3-59.20000110.7F35 V36 N37 E69 L70 L73T33-F35 PolarHBondContact O-N 2.82Å; T33-V36 PolarHBondContact O-N 3.39Å; T33-N37 PolarHBondContact O-N 2.69Å; T33-N37 PolarHBondContact O-ND2 2.85Å; T33-N37 VanDerWaalsContact O-ND2 3.08Å; T33-E69 HydrophobicContact CG2-CB 4.45Å; T33-E69 PolarHBondContact OG1-OE2 2.97Å; T33-L70 HydrophobicContact CG2-CD2 3.67Å; T33-L70 HydrophobicContact CG2-CG 4.02Å; T33-L73 HydrophobicContact CG2-CD1 3.99Å
34N90.7Very high92Very high48 Ų4841.1 Ų41.126%0.25721%0.212SC..Hα-helixtrans-64.1-40.4-178.8-166.423.7000112.3D32 N37 F38D32-N34 PolarHBondContact O-N 3.27Å; N34-N37 WeakPolarHBondContact O-CB 3.4Å; N34-N37 PolarHBondContact O-N 3Å; N34-F38 WeakPolarHBondContact O-CD2 3.34Å; N34-F38 PolarHBondContact O-N 3Å; N34-F38 WeakPolarHBondContact OD1-CD2 3.44Å; N34-F38 WeakPolarHBondContact OD1-CE2 3.32Å
35F94.6Very high92.9Very high0 Ų043.3 Ų43.30%022%0.216CC..Hα-helixtrans-64.5-43.4-180-173.7-92.8000112.3L31 D32 T33 N37 F38 S39 A118 M137 I139 Y144L31-F35 HydrophobicContact CD2-CD1 4.03Å; L31-F35 HydrophobicContact CD2-CE1 4.15Å; D32-F35 HydrophobicContact CB-CB 4.44Å; D32-F35 WeakPolarHBondContact O-CB 3.35Å; D32-F35 PolarHBondContact O-N 3.02Å; D32-F35 VanDerWaalsContact O-N 3.09Å; T33-F35 PolarHBondContact O-N 2.82Å; F35-N37 VanDerWaalsContact C-N 3.28Å; F35-N37 PolarHBondContact O-N 2.93Å; F35-F38 PolarHBondContact O-N 3.17Å; F35-S39 WeakPolarHBondContact O-CB 3.05Å; F35-S39 PolarHBondContact O-N 2.95Å; F35-S39 PolarHBondContact O-OG 3.28Å; F35-A118 VanDerWaalsContact CB-O 3.26Å; F35-A118 WeakPolarHBondContact CB-O 3.2Å; F35-A118 HydrophobicContact CD1-CB 3.75Å; F35-A118 HydrophobicContact CD2-CB 3.89Å; F35-A118 HydrophobicContact CE1-CB 3.76Å; F35-A118 HydrophobicContact CE2-CB 3.89Å; F35-A118 HydrophobicContact CG-CB 3.81Å; F35-A118 HydrophobicContact CZ-CB 3.82Å; F35-M137 HydrophobicContact CE2-CG 4.38Å; F35-M137 HydrophobicContact CZ-CG 4.28Å; F35-M137 HydrophobicContact CZ-SD 4.24Å; F35-I139 HydrophobicContact CD2-CD1 4.25Å; F35-I139 HydrophobicContact CD2-CG1 4.37Å; F35-I139 HydrophobicContact CE2-CD1 4.11Å; F35-I139 HydrophobicContact CE2-CG1 3.83Å; F35-I139 HydrophobicContact CZ-CD1 4.48Å; F35-I139 HydrophobicContact CZ-CG1 4.27Å; F35-Y144 HydrophobicContact CE1-CE1 4.14Å; F35-Y144 AromaticContact CE1-CE2 3.84Å; F35-Y144 HydrophobicContact CE1-CE2 3.84Å; F35-Y144 AromaticContact CE1-CZ 3.57Å; F35-Y144 WeakPolarHBondContact CE1-OH 3.3Å; F35-Y144 HydrophobicContact CE2-CE1 4.37Å; F35-Y144 AromaticContact CZ-CD1 3.97Å; F35-Y144 HydrophobicContact CZ-CD1 3.97Å; F35-Y144 AromaticContact CZ-CD2 3.95Å; F35-Y144 HydrophobicContact CZ-CD2 3.95Å; F35-Y144 AromaticContact CZ-CE1 3.61Å; F35-Y144 HydrophobicContact CZ-CE1 3.61Å; F35-Y144 AromaticContact CZ-CE2 3.6Å; F35-Y144 HydrophobicContact CZ-CE2 3.6Å; F35-Y144 HydrophobicContact CZ-CG 4.14Å; F35-Y144 AromaticContact CZ-CZ 3.42Å; F35-Y144 VanDerWaalsContact CZ-CZ 3.42Å
36V93.8Very high93.5Very high0 Ų039.4 Ų39.40%019%0.191CC..Hα-helixtrans-59.2-44.9175.91770000110L31 D32 T33 F38 S39 I40 I46 A80 V84L31-V36 HydrophobicContact CB-CG2 4.33Å; L31-V36 HydrophobicContact CD1-CG2 4.39Å; D32-V36 PolarHBondContact O-N 3.34Å; T33-V36 PolarHBondContact O-N 3.39Å; V36-F38 PolarHBondContact O-N 2.95Å; V36-S39 WeakPolarHBondContact O-CB 3.35Å; V36-S39 PolarHBondContact O-N 3.46Å; V36-I40 HydrophobicContact CG1-CD1 4.05Å; V36-I40 WeakPolarHBondContact O-CG1 3.48Å; V36-I40 PolarHBondContact O-N 2.92Å; V36-I40 VanDerWaalsContact O-N 3.1Å; V36-I46 HydrophobicContact CG1-CD1 4.21Å; V36-I46 HydrophobicContact CG2-CD1 4.31Å; V36-A80 HydrophobicContact CG1-CB 3.81Å; V36-V84 HydrophobicContact CG1-CG2 4.04Å; V36-V84 HydrophobicContact CG2-CG2 4.02Å
37N91.9Very high93.7Very high15 Ų1538.2 Ų38.28%0.0818%0.181CC..Hα-helixtrans-63.3-44.3-179.9-65.9-25.3000112.6T33 N34 F35 I40 K41 Y77T33-N37 PolarHBondContact O-N 2.69Å; T33-N37 PolarHBondContact O-ND2 2.85Å; T33-N37 VanDerWaalsContact O-ND2 3.08Å; N34-N37 WeakPolarHBondContact O-CB 3.4Å; N34-N37 PolarHBondContact O-N 3Å; F35-N37 VanDerWaalsContact C-N 3.28Å; F35-N37 PolarHBondContact O-N 2.93Å; N37-I40 PolarHBondContact O-N 2.99Å; N37-K41 WeakPolarHBondContact O-CG 3.15Å; N37-K41 PolarHBondContact O-N 3.18Å; N37-K41 VanDerWaalsContact O-N 3.08Å; N37-Y77 HydrophobicContact CB-CE1 4.17Å; N37-Y77 WeakPolarHBondContact ND2-CE1 3.42Å; N37-Y77 WeakPolarHBondContact OD1-CD1 3.38Å; N37-Y77 WeakPolarHBondContact OD1-CE1 2.93Å
38F93.5Very high93.8Very high73 Ų7343.6 Ų43.632%0.3221%0.205SC..Hα-helixtrans-66.8-36.1175.6-82.8-67.4000112.6N34 F35 V36 I40 K41 N42 C120 I139N34-F38 WeakPolarHBondContact O-CD2 3.34Å; N34-F38 PolarHBondContact O-N 3Å; N34-F38 WeakPolarHBondContact OD1-CD2 3.44Å; N34-F38 WeakPolarHBondContact OD1-CE2 3.32Å; F35-F38 PolarHBondContact O-N 3.17Å; V36-F38 PolarHBondContact O-N 2.95Å; F38-I40 VanDerWaalsContact C-N 3.33Å; F38-I40 PolarHBondContact O-N 3.46Å; F38-K41 PolarHBondContact O-N 3.4Å; F38-N42 WeakPolarHBondContact O-CB 3.43Å; F38-N42 PolarHBondContact O-N 3.02Å; F38-N42 PolarHBondContact O-ND2 3.49Å; F38-C120 HydrophobicContact CD2-CB 3.63Å; F38-C120 HydrophobicContact CE2-CB 3.9Å; F38-C120 HydrophobicContact CG-CB 4.46Å; F38-I139 HydrophobicContact CB-CD1 3.48Å; F38-I139 VanDerWaalsContact CB-CD1 3.48Å
39S95.1Very high93.8Very high0 Ų041.7 Ų41.70%020%0.198CC..Hα-helixtrans-59.6-46176-58.10000111.3F35 V36 N42 K43 L44 Y144F35-S39 WeakPolarHBondContact O-CB 3.05Å; F35-S39 PolarHBondContact O-N 2.95Å; F35-S39 PolarHBondContact O-OG 3.28Å; V36-S39 WeakPolarHBondContact O-CB 3.35Å; V36-S39 PolarHBondContact O-N 3.46Å; S39-N42 CarbonylContact O-C 3.53Å; S39-N42 PolarHBondContact O-N 3.28Å; S39-K43 PolarHBondContact O-N 3.44Å; S39-K43 VanDerWaalsContact O-N 3.09Å; S39-L44 PolarHBondContact O-N 3.01Å; S39-Y144 VanDerWaalsContact CB-OH 3.31Å; S39-Y144 WeakPolarHBondContact CB-OH 3.46Å; S39-Y144 PolarHBondContact OG-OH 3Å
40I92.9Very high93.8Very high45 Ų4541.7 Ų41.723%0.23120%0.198CC..Hα-helixtrans-64-45.8177.9-66.3163.9000111.2V36 N37 F38 N42 K43 L79 A80 I83V36-I40 HydrophobicContact CG1-CD1 4.05Å; V36-I40 WeakPolarHBondContact O-CG1 3.48Å; V36-I40 PolarHBondContact O-N 2.92Å; V36-I40 VanDerWaalsContact O-N 3.1Å; N37-I40 PolarHBondContact O-N 2.99Å; F38-I40 VanDerWaalsContact C-N 3.33Å; F38-I40 PolarHBondContact O-N 3.46Å; I40-N42 PolarHBondContact O-N 2.68Å; I40-K43 PolarHBondContact O-N 3.26Å; I40-L79 HydrophobicContact CG2-CD2 3.73Å; I40-L79 HydrophobicContact CG2-CG 4.43Å; I40-A80 VanDerWaalsContact CD1-CA 3.42Å; I40-A80 HydrophobicContact CD1-CB 3.49Å; I40-A80 VanDerWaalsContact CD1-CB 3.49Å; I40-I83 HydrophobicContact CD1-CD1 3.86Å; I40-I83 HydrophobicContact CG1-CD1 3.68Å
41K92.4Very high93.6Very high140 Ų14044.1 Ų44.161%0.60921%0.213SC*.Hα-helixtrans-58.1-36.5177-75.3178.5179.9179.80112.4N37 F38 K43N37-K41 WeakPolarHBondContact O-CG 3.15Å; N37-K41 PolarHBondContact O-N 3.18Å; N37-K41 VanDerWaalsContact O-N 3.08Å; F38-K41 PolarHBondContact O-N 3.4Å; K41-K43 VanDerWaalsContact C-N 3.31Å
42N93.6Very high93.5Very high42 Ų4248.1 Ų48.123%0.22523%0.234CC..THydrogen-bonded Turntrans-87.34.3177.9-72.4-81.3000113.6F38 S39 I40 L44 H142F38-N42 WeakPolarHBondContact O-CB 3.43Å; F38-N42 PolarHBondContact O-N 3.02Å; F38-N42 PolarHBondContact O-ND2 3.49Å; S39-N42 CarbonylContact O-C 3.53Å; S39-N42 PolarHBondContact O-N 3.28Å; I40-N42 PolarHBondContact O-N 2.68Å; N42-L44 HydrophobicContact CB-CD1 3.83Å; N42-L44 HydrophobicContact CB-CG 3.81Å; N42-L44 PolarHBondContact O-N 3.45Å; N42-H142 PolarHBondContact OD1-CE1 3.2Å; N42-H142 PolarHBondContact OD1-ND1 2.79Å
43K93.2Very high93.5Very high200 Ų20048.6 Ų48.687%0.8724%0.238SC*.THydrogen-bonded Turntrans55.435.6-177-55179.3-179.3178.10113.2S39 I40 K41S39-K43 PolarHBondContact O-N 3.44Å; S39-K43 VanDerWaalsContact O-N 3.09Å; I40-K43 PolarHBondContact O-N 3.26Å; K41-K43 VanDerWaalsContact C-N 3.31Å
44L94.3Very high93.5Very high35 Ų3548.9 Ų48.918%0.18324%0.239CC..  trans-93.7125.6179.3-61.7176.4000110.5S39 N42 I46 I139 H142 Y144S39-L44 PolarHBondContact O-N 3.01Å; N42-L44 HydrophobicContact CB-CD1 3.83Å; N42-L44 HydrophobicContact CB-CG 3.81Å; N42-L44 PolarHBondContact O-N 3.45Å; L44-I46 PolarHBondContact O-N 3.5Å; L44-I139 HydrophobicContact CD1-CG1 4.5Å; L44-I139 HydrophobicContact CD1-CG2 4.23Å; L44-H142 WeakPolarHBondContact CD2-O 3.33Å; L44-Y144 HydrophobicContact CB-CE1 4.2Å; L44-Y144 HydrophobicContact CD1-CD1 3.86Å; L44-Y144 HydrophobicContact CD1-CE1 3.58Å
45D94.2Very high93.5Very high77 Ų7754.9 Ų54.941%0.41226%0.259SS..  trans-70.5120.3165.3179.7-57.8000108.3I47 K48 S49D45-I47 PolarHBondContact O-N 3.46Å; D45-I47 PolarHBondContact OD1-N 3.41Å; D45-K48 HydrophobicContact CB-CB 3.92Å; D45-K48 PolarHBondContact OD1-N 2.9Å; D45-S49 WeakPolarHBondContact O-CB 3.24Å; D45-S49 PolarHBondContact O-N 2.76Å; D45-S49 PolarHBondContact O-OG 3.26Å
46I95.1Very high93.3Very high5 Ų555.9 Ų55.93%0.02627%0.267CS..Hα-helixtrans-61.1-47.5-172-58.5-179.9000111.3L31 V36 L44 M50 I83 F89 Y144L31-I46 HydrophobicContact CD1-CG2 4.04Å; L31-I46 HydrophobicContact CD2-CG2 4.36Å; V36-I46 HydrophobicContact CG1-CD1 4.21Å; V36-I46 HydrophobicContact CG2-CD1 4.31Å; L44-I46 PolarHBondContact O-N 3.5Å; I46-M50 HydrophobicContact CG2-CE 4.01Å; I46-M50 HydrophobicContact CG2-SD 4.3Å; I46-M50 WeakPolarHBondContact O-CB 3.46Å; I46-M50 WeakPolarHBondContact O-CG 3.46Å; I46-M50 PolarHBondContact O-N 3.08Å; I46-I83 HydrophobicContact CD1-CG2 3.73Å; I46-I83 HydrophobicContact CG1-CG2 4.45Å; I46-F89 HydrophobicContact CB-CZ 4.17Å; I46-F89 HydrophobicContact CD1-CE1 4.26Å; I46-F89 HydrophobicContact CD1-CZ 4.16Å; I46-F89 HydrophobicContact CG2-CE1 4.29Å; I46-F89 HydrophobicContact CG2-CZ 4.26Å; I46-Y144 WeakPolarHBondContact CA-OH 3.23Å
47I94.1Very high93.2Very high29 Ų2963 Ų6315%0.14930%0.298CS..Hα-helixtrans-70.6-45.2-175.1-66.3168.6000110.4D45 M50 T51 P60 R88 F89D45-I47 PolarHBondContact O-N 3.46Å; D45-I47 PolarHBondContact OD1-N 3.41Å; I47-M50 HydrophobicContact CB-CE 4.5Å; I47-M50 HydrophobicContact CG1-CE 4.2Å; I47-M50 PolarHBondContact O-N 2.84Å; I47-T51 WeakPolarHBondContact O-CB 3.25Å; I47-T51 PolarHBondContact O-N 3.42Å; I47-T51 PolarHBondContact O-OG1 3.37Å; I47-P60 HydrophobicContact CD1-CG 4.36Å; I47-P60 HydrophobicContact CG1-CG 3.99Å; I47-R88 HydrophobicContact CD1-CB 3.43Å; I47-R88 VanDerWaalsContact CD1-CB 3.43Å; I47-R88 HydrophobicContact CD1-CG 4.17Å; I47-F89 HydrophobicContact CD1-CD2 4.31Å; I47-F89 HydrophobicContact CD1-CE2 3.78Å; I47-F89 HydrophobicContact CD1-CZ 4.45Å; I47-F89 HydrophobicContact CG1-CE2 4.19Å; I47-F89 HydrophobicContact CG1-CZ 4.38Å
48K94.5Very high93.2Very high133 Ų13362.9 Ų62.958%0.57830%0.298SS*.Hα-helixtrans-61.6-48.7177.1-173.9-179.7175.5-177.70110.8D45 M50 T51 D52D45-K48 HydrophobicContact CB-CB 3.92Å; D45-K48 PolarHBondContact OD1-N 2.9Å; K48-M50 VanDerWaalsContact C-N 3.34Å; K48-M50 PolarHBondContact O-N 3Å; K48-T51 WeakPolarHBondContact O-CB 3.5Å; K48-T51 PolarHBondContact O-N 3.44Å; K48-T51 VanDerWaalsContact O-N 3.1Å; K48-D52 WeakPolarHBondContact O-CB 3.43Å; K48-D52 VanDerWaalsContact O-CG 3.26Å; K48-D52 PolarHBondContact O-N 2.85Å
49S95.4Very high93.3Very high16 Ų1660.6 Ų60.611%0.11229%0.29CS..Hα-helixtrans-66.3-34.2-177.1-56.70000112.5D45 C53 Y144D45-S49 WeakPolarHBondContact O-CB 3.24Å; D45-S49 PolarHBondContact O-N 2.76Å; D45-S49 PolarHBondContact O-OG 3.26Å; S49-C53 VanDerWaalsContact O-CB 3.23Å; S49-C53 WeakPolarHBondContact O-CB 3.19Å; S49-C53 PolarHBondContact O-N 3.45Å; S49-Y144 VanDerWaalsContact CB-CD2 3.41Å
50M94.4Very high93.4Very high0 Ų060.7 Ų60.70%029%0.291CS..Hα-helixtrans-64.3-46.1170.6-74.3-175.1-55.600111.5V29 L31 I46 I47 K48 C53 L54 C58 P60 M137 Y144V29-M50 HydrophobicContact CB-SD 3.76Å; V29-M50 HydrophobicContact CG1-SD 3.84Å; V29-M50 HydrophobicContact CG2-SD 3.82Å; L31-M50 HydrophobicContact CD2-SD 4.33Å; I46-M50 HydrophobicContact CG2-CE 4.01Å; I46-M50 HydrophobicContact CG2-SD 4.3Å; I46-M50 WeakPolarHBondContact O-CB 3.46Å; I46-M50 WeakPolarHBondContact O-CG 3.46Å; I46-M50 PolarHBondContact O-N 3.08Å; I47-M50 HydrophobicContact CB-CE 4.5Å; I47-M50 HydrophobicContact CG1-CE 4.2Å; I47-M50 PolarHBondContact O-N 2.84Å; K48-M50 VanDerWaalsContact C-N 3.34Å; K48-M50 PolarHBondContact O-N 3Å; M50-C53 PolarHBondContact O-N 3.19Å; M50-L54 WeakPolarHBondContact O-CB 3.49Å; M50-L54 PolarHBondContact O-N 2.87Å; M50-C58 HydrophobicContact CB-CB 3.92Å; M50-C58 HydrophobicContact CE-CB 4.16Å; M50-C58 HydrophobicContact SD-CB 4.47Å; M50-P60 HydrophobicContact CE-CB 3.77Å; M50-P60 HydrophobicContact CE-CG 3.87Å; M50-P60 HydrophobicContact SD-CB 4.49Å; M50-M137 HydrophobicContact CB-CE 4.42Å; M50-M137 HydrophobicContact CB-SD 4.48Å; M50-M137 HydrophobicContact CG-CE 4.19Å; M50-M137 HydrophobicContact CG-SD 3.72Å; M50-Y144 HydrophobicContact CG-CD2 3.97Å; M50-Y144 HydrophobicContact CG-CE2 3.81Å
51T93.1Very high93.5Very high51 Ų5160.3 Ų60.331%0.31329%0.286SS..Hα-helixtrans-63.2-44.4-179.7-54.70000110.9I47 K48 C53 L54 Y55I47-T51 WeakPolarHBondContact O-CB 3.25Å; I47-T51 PolarHBondContact O-N 3.42Å; I47-T51 PolarHBondContact O-OG1 3.37Å; K48-T51 WeakPolarHBondContact O-CB 3.5Å; K48-T51 PolarHBondContact O-N 3.44Å; K48-T51 VanDerWaalsContact O-N 3.1Å; T51-C53 VanDerWaalsContact C-N 3.29Å; T51-C53 PolarHBondContact O-N 2.89Å; T51-L54 PolarHBondContact O-N 2.84Å; T51-Y55 VanDerWaalsContact O-CA 3.31Å; T51-Y55 WeakPolarHBondContact O-CA 3.14Å; T51-Y55 PolarHBondContact O-N 3.45Å
52D92.6Very high93.6Very high84 Ų8453.9 Ų53.945%0.44926%0.259SS..Hα-helixtrans-65.3-31.9176.9-67.3-13.7000112K48K48-D52 WeakPolarHBondContact O-CB 3.43Å; K48-D52 VanDerWaalsContact O-CG 3.26Å; K48-D52 PolarHBondContact O-N 2.85Å
53C92.5Very high93.6Very high17 Ų1751.9 Ų51.912%0.11525%0.248CC..Hα-helixtrans-77-37.3178-178.50000113.1S49 M50 T51 M137S49-C53 VanDerWaalsContact O-CB 3.23Å; S49-C53 WeakPolarHBondContact O-CB 3.19Å; S49-C53 PolarHBondContact O-N 3.45Å; M50-C53 PolarHBondContact O-N 3.19Å; T51-C53 VanDerWaalsContact C-N 3.29Å; T51-C53 PolarHBondContact O-N 2.89Å; C53-M137 HydrophobicContact CB-CE 4.38Å
54L91Very high93.5Very high16 Ų1644 Ų448%0.08422%0.215CC..Hα-helixtrans-100.5-9-173.4-67.9177.3000113.6Y27 V29 M50 T51 A56 C58 I116 M137 I146 L149Y27-L54 HydrophobicContact CD2-CB 3.99Å; Y27-L54 HydrophobicContact CD2-CD1 3.84Å; Y27-L54 HydrophobicContact CD2-CG 4.38Å; Y27-L54 HydrophobicContact CE2-CB 4.17Å; Y27-L54 HydrophobicContact CG-CD1 4.04Å; V29-L54 HydrophobicContact CG2-CD1 4.48Å; M50-L54 WeakPolarHBondContact O-CB 3.49Å; M50-L54 PolarHBondContact O-N 2.87Å; T51-L54 PolarHBondContact O-N 2.84Å; L54-A56 PolarHBondContact O-N 2.89Å; L54-A56 VanDerWaalsContact O-N 3.11Å; L54-C58 VanDerWaalsContact CD1-SG 3.53Å; L54-I116 HydrophobicContact CD1-CD1 3.75Å; L54-I116 HydrophobicContact CD2-CD1 4.28Å; L54-M137 HydrophobicContact CD1-CE 3.54Å; L54-M137 HydrophobicContact CD2-CE 4.21Å; L54-M137 HydrophobicContact CG-CE 3.71Å; L54-I146 HydrophobicContact CD2-CD1 3.5Å; L54-I146 HydrophobicContact CD2-CG2 4.38Å; L54-L149 HydrophobicContact CD2-CD2 3.59Å
55Y90.6Very high93.4Very high175 Ų17542.4 Ų42.469%0.68621%0.208SC*.THydrogen-bonded Turntrans5131.1-174-63.1-83.1000113.4T51T51-Y55 VanDerWaalsContact O-CA 3.31Å; T51-Y55 WeakPolarHBondContact O-CA 3.14Å; T51-Y55 PolarHBondContact O-N 3.45Å
56A90.6Very high93.2Very high20 Ų2038.8 Ų38.817%0.16519%0.188CC..SBendtrans-154.7163.5-175.800000111.8P25 Y27 L54 C58P25-A56 HydrophobicContact CB-CB 4.13Å; P25-A56 HydrophobicContact CG-CB 3.77Å; Y27-A56 HydrophobicContact CD2-CB 3.81Å; Y27-A56 HydrophobicContact CE2-CB 3.62Å; L54-A56 PolarHBondContact O-N 2.89Å; L54-A56 VanDerWaalsContact O-N 3.11Å; A56-C58 PolarHBondContact O-N 2.96Å; A56-C58 PolarHBondContact O-SG 2.74Å
57K91.2Very high93Very high151 Ų15139.2 Ų39.266%0.65719%0.191SC*.  trans-60.8130.4176.6-173.9174.7-179177.30110.5P26 Y27P26-K57 CarbonylContact C-O 3.57Å; P26-K57 VanDerWaalsContact CA-O 3.23Å; P26-K57 WeakPolarHBondContact CA-O 3.26Å; P26-K57 HydrophobicContact CB-CB 4.32Å; P26-K57 HydrophobicContact CB-CD 4.29Å; P26-K57 HydrophobicContact CB-CG 4.13Å; Y27-K57 PolarHBondContact N-O 3.23Å
58C93.5Very high92.8Very high11 Ų1138.7 Ų38.77%0.07419%0.192CC..EExtended strand (participates in β ladder)trans-120.1142.1179.9-600000110.7Y27 M50 L54 A56Y27-C58 CarbonylContact O-C 3.54Å; Y27-C58 WeakPolarHBondContact O-CA 3.09Å; M50-C58 HydrophobicContact CB-CB 3.92Å; M50-C58 HydrophobicContact CE-CB 4.16Å; M50-C58 HydrophobicContact SD-CB 4.47Å; L54-C58 VanDerWaalsContact CD1-SG 3.53Å; A56-C58 PolarHBondContact O-N 2.96Å; A56-C58 PolarHBondContact O-SG 2.74Å
59V94.9Very high92.5Very high25 Ų2534.3 Ų34.315%0.15217%0.174CC..EExtended strand (participates in β ladder)trans-117.8109.2173-178.90000107.9P26 Y27 V29 Y61 K90P26-V59 HydrophobicContact CB-CG2 4.03Å; Y27-V59 PolarHBondContact O-N 3.42Å; V29-V59 PolarHBondContact N-O 3.45Å; V59-Y61 HydrophobicContact CB-CE2 3.85Å; V59-Y61 HydrophobicContact CG1-CD2 4.2Å; V59-Y61 HydrophobicContact CG1-CE2 3.48Å; V59-Y61 VanDerWaalsContact CG1-CE2 3.48Å; V59-Y61 VanDerWaalsContact O-CD2 3.23Å; V59-Y61 WeakPolarHBondContact O-CD2 3.36Å; V59-Y61 WeakPolarHBondContact O-CE2 3.42Å; V59-K90 HydrophobicContact CG1-CB 4.33Å; V59-K90 HydrophobicContact CG1-CG 3.61Å
60P96.6Very high92.1Very high2 Ų233.7 Ų33.71%0.01317%0.169CC..EExtended strand (participates in β ladder)trans-73.1135.8174.423.1-24.4000110.7V29 L31 I47 M50 F89 K90V29-P60 CarbonylContact O-C 3.51Å; L31-P60 HydrophobicContact CD1-CB 3.8Å; L31-P60 HydrophobicContact CG-CB 4.24Å; I47-P60 HydrophobicContact CD1-CG 4.36Å; I47-P60 HydrophobicContact CG1-CG 3.99Å; M50-P60 HydrophobicContact CE-CB 3.77Å; M50-P60 HydrophobicContact CE-CG 3.87Å; M50-P60 HydrophobicContact SD-CB 4.49Å; P60-F89 HydrophobicContact CB-CD1 3.64Å; P60-F89 HydrophobicContact CB-CE1 3.85Å; P60-F89 HydrophobicContact CB-CG 4.21Å; P60-F89 HydrophobicContact CG-CB 4.45Å; P60-F89 HydrophobicContact CG-CD1 3.78Å; P60-F89 HydrophobicContact CG-CD2 4.17Å; P60-F89 HydrophobicContact CG-CE1 4.01Å; P60-F89 HydrophobicContact CG-CE2 4.37Å; P60-F89 HydrophobicContact CG-CG 3.86Å; P60-F89 HydrophobicContact CG-CZ 4.29Å; P60-K90 PolarHBondContact O-N 3.39Å
61Y96Very high91.9Very high37 Ų3738.2 Ų38.215%0.14519%0.19CC..EExtended strand (participates in β ladder)trans-117.4136.8174.1-71.5-89.8000110.5H28 V29 L31 V59 K90 L92 Y115H28-Y61 HydrophobicContact CB-CD2 4.01Å; H28-Y61 HydrophobicContact CB-CE2 3.56Å; H28-Y61 PolarHBondContact CE1-OH 3.19Å; H28-Y61 AromaticContact CG-CE2 3.72Å; H28-Y61 AromaticContact ND1-CE2 3.14Å; H28-Y61 WeakPolarHBondContact ND1-CE2 3.32Å; H28-Y61 AromaticContact ND1-CZ 3.37Å; H28-Y61 PolarHBondContact ND1-OH 3.24Å; V29-Y61 PolarHBondContact O-N 3.24Å; L31-Y61 PolarHBondContact N-O 3.08Å; V59-Y61 HydrophobicContact CB-CE2 3.85Å; V59-Y61 HydrophobicContact CG1-CD2 4.2Å; V59-Y61 HydrophobicContact CG1-CE2 3.48Å; V59-Y61 VanDerWaalsContact CG1-CE2 3.48Å; V59-Y61 VanDerWaalsContact O-CD2 3.23Å; V59-Y61 WeakPolarHBondContact O-CD2 3.36Å; V59-Y61 WeakPolarHBondContact O-CE2 3.42Å; Y61-K90 CarbonylContact C-O 3.58Å; Y61-K90 WeakPolarHBondContact CA-O 3.43Å; Y61-K90 HydrophobicContact CD1-CB 3.41Å; Y61-K90 VanDerWaalsContact CD1-CB 3.41Å; Y61-K90 HydrophobicContact CD1-CG 4.46Å; Y61-K90 HydrophobicContact CE1-CB 3.39Å; Y61-K90 HydrophobicContact CE1-CG 4.04Å; Y61-K90 HydrophobicContact CG-CB 4.19Å; Y61-L92 HydrophobicContact CD1-CD1 3.77Å; Y61-L92 HydrophobicContact CD1-CD2 3.66Å; Y61-L92 HydrophobicContact CD1-CG 3.54Å; Y61-L92 HydrophobicContact CE1-CD2 3.96Å; Y61-L92 HydrophobicContact CE1-CG 4.35Å; Y61-L92 HydrophobicContact CG-CD1 4.01Å; Y61-L92 HydrophobicContact CG-CG 4.23Å; Y61-Y115 HydrophobicContact CD2-CE1 4.35Å
62V94.3Very high91.6Very high5 Ų542.8 Ų42.83%0.0321%0.206CC..EExtended strand (participates in β ladder)trans-124133.5175179.40000109L31 V66 L67 V84 F89 K90 R91 L92L31-V62 HydrophobicContact CB-CG2 4.2Å; L31-V62 HydrophobicContact CD1-CG2 4.09Å; L31-V62 HydrophobicContact CG-CG2 4.49Å; V62-V66 HydrophobicContact CG1-CB 4.01Å; V62-V66 HydrophobicContact CG1-CG1 3.73Å; V62-L67 HydrophobicContact CG1-CB 4.44Å; V62-V84 HydrophobicContact CB-CG1 4.09Å; V62-V84 HydrophobicContact CG1-CG1 3.73Å; V62-V84 HydrophobicContact CG2-CG1 3.9Å; V62-V84 HydrophobicContact CG2-CG2 4.31Å; V62-F89 HydrophobicContact CG2-CD1 4.02Å; V62-K90 PolarHBondContact N-O 3.36Å; V62-R91 CarbonylContact O-C 3.57Å; V62-R91 WeakPolarHBondContact O-CA 3.22Å; V62-L92 PolarHBondContact O-N 3.13Å
63T93.7Very high91.2Very high1 Ų142.5 Ų42.51%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-85156.3179.270.30000110.3L30 C65 V66 L67L30-T63 HydrophobicContact CD2-CG2 4.32Å; T63-C65 PolarHBondContact O-N 3.5Å; T63-C65 PolarHBondContact OG1-SG 3.05Å; T63-V66 PolarHBondContact O-N 3.28Å; T63-V66 WeakPolarHBondContact OG1-CB 3.43Å; T63-V66 WeakPolarHBondContact OG1-CG2 3.25Å; T63-V66 PolarHBondContact OG1-N 2.95Å; T63-L67 PolarHBondContact O-N 3.02Å
64D92Very high90.7Very high33 Ų3343.6 Ų43.618%0.17622%0.218CC..Hα-helixtrans-59.8-36.3175.8-70.6-25.3000112.6L67 G68 R91 L92 Y93 C94D64-L67 PolarHBondContact O-N 2.91Å; D64-G68 PolarHBondContact O-N 2.66Å; D64-R91 IonicContact OD1-CZ 2.87Å; D64-R91 IonicContact OD1-NE 2.8Å; D64-R91 PolarHBondContact OD1-NE 3.16Å; D64-R91 IonicContact OD1-NH2 3.17Å; D64-R91 PolarHBondContact OD1-NH2 2.93Å; D64-L92 PolarHBondContact N-O 2.8Å; D64-Y93 WeakPolarHBondContact OD2-CA 3.38Å; D64-Y93 WeakPolarHBondContact OD2-CD1 3.34Å; D64-C94 HydrophobicContact CB-CB 3.97Å; D64-C94 PolarHBondContact OD2-N 3.44Å
65C91.4Very high90.3Very high3 Ų347.3 Ų47.32%0.0225%0.245CC..Hα-helixtrans-64.9-43.1176.341.80000112.4T63 L67 G68 E69 C94 C104T63-C65 PolarHBondContact O-N 3.5Å; T63-C65 PolarHBondContact OG1-SG 3.05Å; C65-L67 VanDerWaalsContact C-N 3.32Å; C65-L67 PolarHBondContact O-N 2.94Å; C65-G68 PolarHBondContact O-N 3.38Å; C65-E69 WeakPolarHBondContact O-CB 3.2Å; C65-E69 VanDerWaalsContact O-CG 3.32Å; C65-E69 WeakPolarHBondContact O-CG 3.3Å; C65-E69 PolarHBondContact O-N 2.8Å; C65-C94 VanDerWaalsContact SG-SG 3.68Å; C65-C104 WeakPolarHBondContact SG-CB 3.44Å; C65-C104 VanDerWaalsContact SG-SG 3.66Å
66V90.5Very high89.8Confident0 Ų048.5 Ų48.50%025%0.248CC..Hα-helixtrans-63-41.5175.8167.70000110.6V62 T63 E69 L70 A101 I105V62-V66 HydrophobicContact CG1-CB 4.01Å; V62-V66 HydrophobicContact CG1-CG1 3.73Å; T63-V66 PolarHBondContact O-N 3.28Å; T63-V66 WeakPolarHBondContact OG1-CB 3.43Å; T63-V66 WeakPolarHBondContact OG1-CG2 3.25Å; T63-V66 PolarHBondContact OG1-N 2.95Å; V66-E69 PolarHBondContact O-N 3.13Å; V66-L70 HydrophobicContact CG1-CD1 4.27Å; V66-L70 WeakPolarHBondContact O-CG 3.45Å; V66-L70 PolarHBondContact O-N 3.26Å; V66-A101 HydrophobicContact CG2-CB 3.68Å; V66-I105 HydrophobicContact CG2-CD1 4.45Å
67L90.5Very high89.6Confident15 Ų1550 Ų508%0.07925%0.25CC..Hα-helixtrans-62.8-45174.9-173.865.4000111.7V62 T63 D64 C65 E69 L70 E71 L81 V84V62-L67 HydrophobicContact CG1-CB 4.44Å; T63-L67 PolarHBondContact O-N 3.02Å; D64-L67 PolarHBondContact O-N 2.91Å; C65-L67 VanDerWaalsContact C-N 3.32Å; C65-L67 PolarHBondContact O-N 2.94Å; L67-E69 PolarHBondContact O-N 3.04Å; L67-L70 PolarHBondContact O-N 3.21Å; L67-E71 WeakPolarHBondContact O-CG 3.45Å; L67-E71 PolarHBondContact O-N 3.19Å; L67-L81 HydrophobicContact CD1-CD1 3.65Å; L67-V84 HydrophobicContact CD1-CG1 3.83Å
68G89.1Confident89.5Confident17 Ų1749.8 Ų49.818%0.17525%0.249CC..Hα-helixtrans-65.4-35.8177.900000113.2D64 C65 E71 K72D64-G68 PolarHBondContact O-N 2.66Å; C65-G68 PolarHBondContact O-N 3.38Å; G68-E71 PolarHBondContact O-N 2.97Å; G68-K72 VanDerWaalsContact O-CG 3.27Å; G68-K72 WeakPolarHBondContact O-CG 3.27Å; G68-K72 PolarHBondContact O-N 3.42Å
69E88.3Confident89.4Confident42 Ų4254 Ų5420%0.19627%0.271CS..Hα-helixtrans-63.3-47.4171.4-76.5173-168.800111.2T33 C65 V66 L67 E71 K72 L73 A101T33-E69 HydrophobicContact CG2-CB 4.45Å; T33-E69 PolarHBondContact OG1-OE2 2.97Å; C65-E69 WeakPolarHBondContact O-CB 3.2Å; C65-E69 VanDerWaalsContact O-CG 3.32Å; C65-E69 WeakPolarHBondContact O-CG 3.3Å; C65-E69 PolarHBondContact O-N 2.8Å; V66-E69 PolarHBondContact O-N 3.13Å; L67-E69 PolarHBondContact O-N 3.04Å; E69-E71 VanDerWaalsContact C-N 3.29Å; E69-E71 PolarHBondContact O-N 3.46Å; E69-K72 PolarHBondContact O-N 2.76Å; E69-L73 WeakPolarHBondContact O-CG 3.24Å; E69-L73 PolarHBondContact O-N 2.9Å; E69-L73 VanDerWaalsContact O-N 3.16Å; E69-A101 WeakPolarHBondContact OE1-CB 3.49Å; E69-A101 PolarHBondContact OE1-N 3.43Å; E69-A101 WeakPolarHBondContact OE2-CB 3.45Å
70L88Confident89.3Confident2 Ų253 Ų531%0.0126%0.264CS..Hα-helixtrans-60.5-37.3176.8-74.4171.6000112.5T33 V66 L67 A80 L81 V84T33-L70 HydrophobicContact CG2-CD2 3.67Å; T33-L70 HydrophobicContact CG2-CG 4.02Å; V66-L70 HydrophobicContact CG1-CD1 4.27Å; V66-L70 WeakPolarHBondContact O-CG 3.45Å; V66-L70 PolarHBondContact O-N 3.26Å; L67-L70 PolarHBondContact O-N 3.21Å; L70-A80 HydrophobicContact CD2-CB 3.9Å; L70-L81 HydrophobicContact CB-CD1 4.4Å; L70-V84 HydrophobicContact CD1-CB 4.37Å; L70-V84 HydrophobicContact CD1-CG1 4.43Å; L70-V84 HydrophobicContact CD1-CG2 3.86Å
71E89.1Confident89Confident96 Ų9654.7 Ų54.745%0.44927%0.273SS..Hα-helixtrans-68.8-37.8176.3-72.6-178.7162.700112.2L67 G68 E69 L73 G74 L81 K85L67-E71 WeakPolarHBondContact O-CG 3.45Å; L67-E71 PolarHBondContact O-N 3.19Å; G68-E71 PolarHBondContact O-N 2.97Å; E69-E71 VanDerWaalsContact C-N 3.29Å; E69-E71 PolarHBondContact O-N 3.46Å; E71-L73 VanDerWaalsContact C-N 3.33Å; E71-L73 PolarHBondContact O-N 3.35Å; E71-G74 PolarHBondContact O-N 3.35Å; E71-L81 HydrophobicContact CG-CD1 3.56Å; E71-L81 HydrophobicContact CG-CD2 4.08Å; E71-L81 HydrophobicContact CG-CG 4.5Å; E71-K85 IonicContact OE1-NZ 3.37Å; E71-K85 PolarHBondContact OE1-NZ 3.09Å
72K86.7Confident88.9Confident146 Ų14660.9 Ų60.964%0.63530%0.301SS*.Hα-helixtrans-66.8-30.1176.7-74.8173.4-177.9-1740113.6G68 E69 G74 T99G68-K72 VanDerWaalsContact O-CG 3.27Å; G68-K72 WeakPolarHBondContact O-CG 3.27Å; G68-K72 PolarHBondContact O-N 3.42Å; E69-K72 PolarHBondContact O-N 2.76Å; K72-G74 PolarHBondContact O-N 3.08Å; K72-T99 VanDerWaalsContact NZ-CG2 3.32Å; K72-T99 PolarHBondContact NZ-OG1 2.67Å
73L84.6Confident88.8Confident79 Ų7963 Ų6341%0.41431%0.311SS..THydrogen-bonded Turntrans-72.3-7.3-179.3-65.9168.4000113.6T33 E69 E71 Y77T33-L73 HydrophobicContact CG2-CD1 3.99Å; E69-L73 WeakPolarHBondContact O-CG 3.24Å; E69-L73 PolarHBondContact O-N 2.9Å; E69-L73 VanDerWaalsContact O-N 3.16Å; E71-L73 VanDerWaalsContact C-N 3.33Å; E71-L73 PolarHBondContact O-N 3.35Å; L73-Y77 HydrophobicContact CB-CD2 3.24Å; L73-Y77 HydrophobicContact CB-CE2 3.63Å; L73-Y77 HydrophobicContact CB-CG 3.85Å; L73-Y77 HydrophobicContact CD1-CD1 4.24Å; L73-Y77 HydrophobicContact CD1-CD2 3.98Å; L73-Y77 HydrophobicContact CD1-CE1 4.2Å; L73-Y77 HydrophobicContact CD1-CE2 3.89Å; L73-Y77 HydrophobicContact CD1-CG 4.1Å; L73-Y77 HydrophobicContact CD2-CE2 4.22Å; L73-Y77 HydrophobicContact CG-CD2 4.15Å; L73-Y77 HydrophobicContact CG-CE2 4.14Å
74G81.6Confident88.7Confident39 Ų3963.4 Ų63.440%0.40231%0.314SS..G310 helixtrans72.7-150.5166.900000115.2E71 K72 R76 Y77E71-G74 PolarHBondContact O-N 3.35Å; K72-G74 PolarHBondContact O-N 3.08Å; G74-R76 VanDerWaalsContact C-N 3.25Å; G74-R76 PolarHBondContact O-N 3.1Å; G74-R76 VanDerWaalsContact O-N 3.16Å; G74-Y77 PolarHBondContact O-N 3.47Å; G74-Y77 VanDerWaalsContact O-N 3.11Å
75S83.4Confident88.6Confident94 Ų9467.5 Ų67.566%0.65733%0.33SS*.G310 helixtrans-60.1-30.9-167.259.70000114.3Y77 K78S75-Y77 PolarHBondContact O-N 2.9Å; S75-K78 WeakPolarHBondContact O-CG 3.16Å; S75-K78 PolarHBondContact O-N 3.47Å
76R80.7Confident88.7Confident201 Ų20169.3 Ų69.376%0.75834%0.34SS*.G310 helixtrans-61.8-23.4179.7-171.2176.7-174.3176.24.1112.9G74G74-R76 VanDerWaalsContact C-N 3.25Å; G74-R76 PolarHBondContact O-N 3.1Å; G74-R76 VanDerWaalsContact O-N 3.16Å
77Y86.6Confident88.9Confident50 Ų5074.9 Ų74.920%0.19638%0.376CS..G310 helixtrans-113.415.3-174.1-65.9-88.7000113.5N37 L73 G74 S75 L79 A80 L81N37-Y77 HydrophobicContact CB-CE1 4.17Å; N37-Y77 WeakPolarHBondContact ND2-CE1 3.42Å; N37-Y77 WeakPolarHBondContact OD1-CD1 3.38Å; N37-Y77 WeakPolarHBondContact OD1-CE1 2.93Å; L73-Y77 HydrophobicContact CB-CD2 3.24Å; L73-Y77 HydrophobicContact CB-CE2 3.63Å; L73-Y77 HydrophobicContact CB-CG 3.85Å; L73-Y77 HydrophobicContact CD1-CD1 4.24Å; L73-Y77 HydrophobicContact CD1-CD2 3.98Å; L73-Y77 HydrophobicContact CD1-CE1 4.2Å; L73-Y77 HydrophobicContact CD1-CE2 3.89Å; L73-Y77 HydrophobicContact CD1-CG 4.1Å; L73-Y77 HydrophobicContact CD2-CE2 4.22Å; L73-Y77 HydrophobicContact CG-CD2 4.15Å; L73-Y77 HydrophobicContact CG-CE2 4.14Å; G74-Y77 PolarHBondContact O-N 3.47Å; G74-Y77 VanDerWaalsContact O-N 3.11Å; S75-Y77 PolarHBondContact O-N 2.9Å; Y77-L79 PolarHBondContact O-N 3.27Å; Y77-L79 VanDerWaalsContact O-N 3.17Å; Y77-A80 HydrophobicContact CD1-CB 4.45Å; Y77-A80 WeakPolarHBondContact O-CB 3.24Å; Y77-A80 PolarHBondContact O-N 3.25Å; Y77-L81 PolarHBondContact O-N 3.09Å
78K88.7Confident89Confident148 Ų14880.5 Ų80.564%0.64340%0.396SS*.Hα-helixtrans-51.8-39.7175.8-78.7178.6177.7-174.80113.1S75 L81 K82S75-K78 WeakPolarHBondContact O-CG 3.16Å; S75-K78 PolarHBondContact O-N 3.47Å; K78-L81 PolarHBondContact O-N 3.49Å; K78-K82 PolarHBondContact O-N 2.96Å
79L91.2Very high89.3Confident100 Ų10080.6 Ų80.652%0.52439%0.392SS..Hα-helixtrans-67.1-41.9177.8-176.458.9000111.9I40 Y77 L81 K82 I83I40-L79 HydrophobicContact CG2-CD2 3.73Å; I40-L79 HydrophobicContact CG2-CG 4.43Å; Y77-L79 PolarHBondContact O-N 3.27Å; Y77-L79 VanDerWaalsContact O-N 3.17Å; L79-L81 VanDerWaalsContact C-N 3.34Å; L79-L81 PolarHBondContact O-N 2.99Å; L79-K82 PolarHBondContact O-N 2.83Å; L79-I83 HydrophobicContact CD1-CD1 4.32Å; L79-I83 HydrophobicContact CG-CD1 4.09Å; L79-I83 WeakPolarHBondContact O-CG1 3.22Å; L79-I83 PolarHBondContact O-N 2.79Å
80A91.8Very high89.6Confident2 Ų283.9 Ų83.92%0.01741%0.405CS..Hα-helixtrans-61.3-44.2175.600000111.5V36 I40 L70 Y77 K82 I83 V84V36-A80 HydrophobicContact CG1-CB 3.81Å; I40-A80 VanDerWaalsContact CD1-CA 3.42Å; I40-A80 HydrophobicContact CD1-CB 3.49Å; I40-A80 VanDerWaalsContact CD1-CB 3.49Å; L70-A80 HydrophobicContact CD2-CB 3.9Å; Y77-A80 HydrophobicContact CD1-CB 4.45Å; Y77-A80 WeakPolarHBondContact O-CB 3.24Å; Y77-A80 PolarHBondContact O-N 3.25Å; A80-K82 VanDerWaalsContact C-N 3.34Å; A80-K82 PolarHBondContact O-N 2.8Å; A80-I83 PolarHBondContact O-N 3Å; A80-V84 WeakPolarHBondContact O-CB 3.4Å; A80-V84 WeakPolarHBondContact O-CG2 3.39Å; A80-V84 PolarHBondContact O-N 2.73Å
81L92.3Very high89.9Confident38 Ų3890.3 Ų90.320%0.19943%0.429CS..Hα-helixtrans-62.3-40.5176.9-166.666.7000112L67 L70 E71 Y77 K78 L79 K85L67-L81 HydrophobicContact CD1-CD1 3.65Å; L70-L81 HydrophobicContact CB-CD1 4.4Å; E71-L81 HydrophobicContact CG-CD1 3.56Å; E71-L81 HydrophobicContact CG-CD2 4.08Å; E71-L81 HydrophobicContact CG-CG 4.5Å; Y77-L81 PolarHBondContact O-N 3.09Å; K78-L81 PolarHBondContact O-N 3.49Å; L79-L81 VanDerWaalsContact C-N 3.34Å; L79-L81 PolarHBondContact O-N 2.99Å; L81-K85 HydrophobicContact CD1-CD 4.37Å; L81-K85 HydrophobicContact CG-CD 4.09Å; L81-K85 WeakPolarHBondContact O-CB 3.46Å; L81-K85 VanDerWaalsContact O-CG 3.28Å; L81-K85 WeakPolarHBondContact O-CG 3.5Å; L81-K85 PolarHBondContact O-N 3.29Å
82K92Very high90Very high167 Ų16787.2 Ų87.273%0.72642%0.416SS*.Hα-helixtrans-64.2-42.1176.4-172.9177.7-179.61800112.1K78 L79 A80K78-K82 PolarHBondContact O-N 2.96Å; L79-K82 PolarHBondContact O-N 2.83Å; A80-K82 VanDerWaalsContact C-N 3.34Å; A80-K82 PolarHBondContact O-N 2.8Å
83I92.3Very high90.3Very high50 Ų5088.3 Ų88.326%0.25642%0.417SS..Hα-helixtrans-65.5-46.6178.5-68.9167.1000110.5I40 I46 L79 A80 K85 D86 F89I40-I83 HydrophobicContact CD1-CD1 3.86Å; I40-I83 HydrophobicContact CG1-CD1 3.68Å; I46-I83 HydrophobicContact CD1-CG2 3.73Å; I46-I83 HydrophobicContact CG1-CG2 4.45Å; L79-I83 HydrophobicContact CD1-CD1 4.32Å; L79-I83 HydrophobicContact CG-CD1 4.09Å; L79-I83 WeakPolarHBondContact O-CG1 3.22Å; L79-I83 PolarHBondContact O-N 2.79Å; A80-I83 PolarHBondContact O-N 3Å; I83-K85 VanDerWaalsContact C-N 3.3Å; I83-K85 PolarHBondContact O-N 3.29Å; I83-D86 WeakPolarHBondContact O-CB 3.37Å; I83-D86 PolarHBondContact O-N 2.87Å; I83-F89 HydrophobicContact CG2-CE1 4.49Å; I83-F89 HydrophobicContact CG2-CE2 4.25Å; I83-F89 HydrophobicContact CG2-CZ 3.78Å; I83-F89 WeakPolarHBondContact O-CD2 3.45Å; I83-F89 VanDerWaalsContact O-CE2 3.3Å; I83-F89 WeakPolarHBondContact O-CE2 3.47Å
84V91.6Very high90.5Very high10 Ų1085.8 Ų85.86%0.06141%0.406CS..Hα-helixtrans-68.1-28.3-178.6161.50000112.8V36 V62 L67 L70 A80 D86 F89V36-V84 HydrophobicContact CG1-CG2 4.04Å; V36-V84 HydrophobicContact CG2-CG2 4.02Å; V62-V84 HydrophobicContact CB-CG1 4.09Å; V62-V84 HydrophobicContact CG1-CG1 3.73Å; V62-V84 HydrophobicContact CG2-CG1 3.9Å; V62-V84 HydrophobicContact CG2-CG2 4.31Å; L67-V84 HydrophobicContact CD1-CG1 3.83Å; L70-V84 HydrophobicContact CD1-CB 4.37Å; L70-V84 HydrophobicContact CD1-CG1 4.43Å; L70-V84 HydrophobicContact CD1-CG2 3.86Å; A80-V84 WeakPolarHBondContact O-CB 3.4Å; A80-V84 WeakPolarHBondContact O-CG2 3.39Å; A80-V84 PolarHBondContact O-N 2.73Å; V84-D86 VanDerWaalsContact C-N 3.26Å; V84-D86 PolarHBondContact O-N 3.38Å; V84-F89 WeakPolarHBondContact O-CB 3.32Å
85K91.5Very high90.6Very high119 Ų11993.5 Ų93.552%0.51743%0.434SS..THydrogen-bonded Turntrans-81.42.1175.5-72.2-178.6178.8179.50113.7E71 L81 I83E71-K85 IonicContact OE1-NZ 3.37Å; E71-K85 PolarHBondContact OE1-NZ 3.09Å; L81-K85 HydrophobicContact CD1-CD 4.37Å; L81-K85 HydrophobicContact CG-CD 4.09Å; L81-K85 WeakPolarHBondContact O-CB 3.46Å; L81-K85 VanDerWaalsContact O-CG 3.28Å; L81-K85 WeakPolarHBondContact O-CG 3.5Å; L81-K85 PolarHBondContact O-N 3.29Å; I83-K85 VanDerWaalsContact C-N 3.3Å; I83-K85 PolarHBondContact O-N 3.29Å
86D93.1Very high90.6Very high41 Ų4192.1 Ų92.122%0.21942%0.417CS..SBendtrans-64.2136.8174.8-177.7-56.7000110.7I83 V84 R88 F89I83-D86 WeakPolarHBondContact O-CB 3.37Å; I83-D86 PolarHBondContact O-N 2.87Å; V84-D86 VanDerWaalsContact C-N 3.26Å; V84-D86 PolarHBondContact O-N 3.38Å; D86-R88 PolarHBondContact O-N 3.25Å; D86-R88 VanDerWaalsContact OD1-CB 3.24Å; D86-R88 WeakPolarHBondContact OD1-CB 3.41Å; D86-R88 VanDerWaalsContact OD1-CG 3.25Å; D86-R88 WeakPolarHBondContact OD1-CG 3.46Å; D86-R88 IonicContact OD1-CZ 3.19Å; D86-R88 PolarHBondContact OD1-N 2.98Å; D86-R88 IonicContact OD1-NE 2.79Å; D86-R88 PolarHBondContact OD1-NE 2.92Å; D86-R88 IonicContact OD1-NH2 2.96Å; D86-R88 IonicContact OD2-CZ 2.67Å; D86-R88 IonicContact OD2-NE 2.68Å; D86-R88 PolarHBondContact OD2-NE 3.39Å; D86-R88 IonicContact OD2-NH2 3.14Å; D86-R88 PolarHBondContact OD2-NH2 3.47Å; D86-F89 HydrophobicContact CB-CD2 3.81Å; D86-F89 HydrophobicContact CB-CE2 4.08Å; D86-F89 WeakPolarHBondContact O-CB 3.26Å; D86-F89 PolarHBondContact O-N 2.95Å
87P93.6Very high90.4Very high117 Ų11788.3 Ų88.376%0.7642%0.421SS*.THydrogen-bonded Turntrans-57.1-19.5-178-26.234.5000115.6F89P87-F89 PolarHBondContact O-N 3.38Å
88R93.3Very high89.9Confident133 Ų13388.2 Ų88.250%0.50244%0.435SS..THydrogen-bonded Turntrans-71.4-18.9176-62.9174.9-69.7167.6-0.5112.3I47 D86I47-R88 HydrophobicContact CD1-CB 3.43Å; I47-R88 VanDerWaalsContact CD1-CB 3.43Å; I47-R88 HydrophobicContact CD1-CG 4.17Å; D86-R88 PolarHBondContact O-N 3.25Å; D86-R88 VanDerWaalsContact OD1-CB 3.24Å; D86-R88 WeakPolarHBondContact OD1-CB 3.41Å; D86-R88 VanDerWaalsContact OD1-CG 3.25Å; D86-R88 WeakPolarHBondContact OD1-CG 3.46Å; D86-R88 IonicContact OD1-CZ 3.19Å; D86-R88 PolarHBondContact OD1-N 2.98Å; D86-R88 IonicContact OD1-NE 2.79Å; D86-R88 PolarHBondContact OD1-NE 2.92Å; D86-R88 IonicContact OD1-NH2 2.96Å; D86-R88 IonicContact OD2-CZ 2.67Å; D86-R88 IonicContact OD2-NE 2.68Å; D86-R88 PolarHBondContact OD2-NE 3.39Å; D86-R88 IonicContact OD2-NH2 3.14Å; D86-R88 PolarHBondContact OD2-NH2 3.47Å
89F94.6Very high89.3Confident19 Ų1983.3 Ų83.38%0.08342%0.417CS..SBendtrans-88134.3175.3-67.1-115.1000110L31 I46 I47 P60 V62 I83 V84 D86 P87L31-F89 HydrophobicContact CD1-CD1 3.8Å; L31-F89 HydrophobicContact CD1-CE1 3.41Å; L31-F89 VanDerWaalsContact CD1-CE1 3.41Å; I46-F89 HydrophobicContact CB-CZ 4.17Å; I46-F89 HydrophobicContact CD1-CE1 4.26Å; I46-F89 HydrophobicContact CD1-CZ 4.16Å; I46-F89 HydrophobicContact CG2-CE1 4.29Å; I46-F89 HydrophobicContact CG2-CZ 4.26Å; I47-F89 HydrophobicContact CD1-CD2 4.31Å; I47-F89 HydrophobicContact CD1-CE2 3.78Å; I47-F89 HydrophobicContact CD1-CZ 4.45Å; I47-F89 HydrophobicContact CG1-CE2 4.19Å; I47-F89 HydrophobicContact CG1-CZ 4.38Å; P60-F89 HydrophobicContact CB-CD1 3.64Å; P60-F89 HydrophobicContact CB-CE1 3.85Å; P60-F89 HydrophobicContact CB-CG 4.21Å; P60-F89 HydrophobicContact CG-CB 4.45Å; P60-F89 HydrophobicContact CG-CD1 3.78Å; P60-F89 HydrophobicContact CG-CD2 4.17Å; P60-F89 HydrophobicContact CG-CE1 4.01Å; P60-F89 HydrophobicContact CG-CE2 4.37Å; P60-F89 HydrophobicContact CG-CG 3.86Å; P60-F89 HydrophobicContact CG-CZ 4.29Å; V62-F89 HydrophobicContact CG2-CD1 4.02Å; I83-F89 HydrophobicContact CG2-CE1 4.49Å; I83-F89 HydrophobicContact CG2-CE2 4.25Å; I83-F89 HydrophobicContact CG2-CZ 3.78Å; I83-F89 WeakPolarHBondContact O-CD2 3.45Å; I83-F89 VanDerWaalsContact O-CE2 3.3Å; I83-F89 WeakPolarHBondContact O-CE2 3.47Å; V84-F89 WeakPolarHBondContact O-CB 3.32Å; D86-F89 HydrophobicContact CB-CD2 3.81Å; D86-F89 HydrophobicContact CB-CE2 4.08Å; D86-F89 WeakPolarHBondContact O-CB 3.26Å; D86-F89 PolarHBondContact O-N 2.95Å; P87-F89 PolarHBondContact O-N 3.38Å
90K95.3Very high88.8Confident111 Ų11186.2 Ų86.248%0.48342%0.423SS..EExtended strand (participates in β ladder)trans-97.2127.8177.2-65.8-58.8-175.3-172.90110V59 P60 Y61 V62V59-K90 HydrophobicContact CG1-CB 4.33Å; V59-K90 HydrophobicContact CG1-CG 3.61Å; P60-K90 PolarHBondContact O-N 3.39Å; Y61-K90 CarbonylContact C-O 3.58Å; Y61-K90 WeakPolarHBondContact CA-O 3.43Å; Y61-K90 HydrophobicContact CD1-CB 3.41Å; Y61-K90 VanDerWaalsContact CD1-CB 3.41Å; Y61-K90 HydrophobicContact CD1-CG 4.46Å; Y61-K90 HydrophobicContact CE1-CB 3.39Å; Y61-K90 HydrophobicContact CE1-CG 4.04Å; Y61-K90 HydrophobicContact CG-CB 4.19Å; V62-K90 PolarHBondContact N-O 3.36Å
91R93.7Very high88.5Confident136 Ų13686.2 Ų86.251%0.51342%0.422SS..EExtended strand (participates in β ladder)trans-84.9136.2176.1-171.7174.2177.2175.3-1.4110.3V62 D64V62-R91 CarbonylContact O-C 3.57Å; V62-R91 WeakPolarHBondContact O-CA 3.22Å; D64-R91 IonicContact OD1-CZ 2.87Å; D64-R91 IonicContact OD1-NE 2.8Å; D64-R91 PolarHBondContact OD1-NE 3.16Å; D64-R91 IonicContact OD1-NH2 3.17Å; D64-R91 PolarHBondContact OD1-NH2 2.93Å
92L92.7Very high88.4Confident31 Ų3187.1 Ų87.116%0.16243%0.427CS..EExtended strand (participates in β ladder)trans-118.2119.6174.6-68.3176.3000111.1L30 Y61 V62 D64 R108 Y115L30-L92 HydrophobicContact CD2-CD1 3.45Å; L30-L92 VanDerWaalsContact CD2-CD1 3.45Å; Y61-L92 HydrophobicContact CD1-CD1 3.77Å; Y61-L92 HydrophobicContact CD1-CD2 3.66Å; Y61-L92 HydrophobicContact CD1-CG 3.54Å; Y61-L92 HydrophobicContact CE1-CD2 3.96Å; Y61-L92 HydrophobicContact CE1-CG 4.35Å; Y61-L92 HydrophobicContact CG-CD1 4.01Å; Y61-L92 HydrophobicContact CG-CG 4.23Å; V62-L92 PolarHBondContact O-N 3.13Å; D64-L92 PolarHBondContact N-O 2.8Å; L92-R108 VanDerWaalsContact C-NH2 3.3Å; L92-R108 PolarHBondContact O-NH2 3.3Å; L92-Y115 HydrophobicContact CD1-CE1 4.41Å
93Y91.4Very high88.4Confident170 Ų17082.8 Ų82.867%0.66741%0.412SS*.  trans-72.6128.7-175.1-62.2-73.7000113.6D64 R108D64-Y93 WeakPolarHBondContact OD2-CA 3.38Å; D64-Y93 WeakPolarHBondContact OD2-CD1 3.34Å; Y93-R108 PolarHBondContact O-NH2 3.38Å
94C88.9Confident88.4Confident26 Ų2680.6 Ų80.618%0.17640%0.401CS..  trans-92.9140.4179.5-67.80000110.9D64 C65 H96 R108D64-C94 HydrophobicContact CB-CB 3.97Å; D64-C94 PolarHBondContact OD2-N 3.44Å; C65-C94 VanDerWaalsContact SG-SG 3.68Å; C94-H96 VanDerWaalsContact CB-NE2 3.3Å; C94-H96 WeakPolarHBondContact CB-NE2 3.33Å; C94-H96 PolarHBondContact SG-NE2 3.39Å; C94-H96 VanDerWaalsContact SG-NE2 3.41Å; C94-R108 PolarHBondContact SG-NH2 3.04Å; C94-R108 VanDerWaalsContact SG-NH2 3.43Å
95M83.2Confident88.4Confident200 Ų20080.1 Ų80.199%0.98540%0.398SS*.  trans-105.617.5178.2-57.6-16785.700113.6
96H84.4Confident88.5Confident66 Ų6675.5 Ų75.531%0.30638%0.38SS..SBendtrans-110.8148.1-178.854.264.9000111.6C94 G98 C104C94-H96 VanDerWaalsContact CB-NE2 3.3Å; C94-H96 WeakPolarHBondContact CB-NE2 3.33Å; C94-H96 PolarHBondContact SG-NE2 3.39Å; C94-H96 VanDerWaalsContact SG-NE2 3.41Å; H96-G98 PolarHBondContact ND1-O 3.22Å; H96-C104 WeakPolarHBondContact NE2-CB 3.23Å; H96-C104 PolarHBondContact NE2-SG 3.47Å
97S77Confident88.4Confident120 Ų12078.5 Ų78.584%0.83939%0.393SS*.SBendtrans-76.4130.5169.454.80000110.6
98G76.3Confident88.3Confident48 Ų4874.6 Ų74.650%0.49536%0.363SS..SBendtrans102.8172.3176.200000114.7H96H96-G98 PolarHBondContact ND1-O 3.22Å
99T74.6Confident88.2Confident45 Ų4568.3 Ų68.328%0.27634%0.339SS..  trans-113.770.8-178.755.20000109.7K72K72-T99 VanDerWaalsContact NZ-CG2 3.32Å; K72-T99 PolarHBondContact NZ-OG1 2.67Å
100Y81.4Confident88Confident162 Ų16270.9 Ų70.964%0.63536%0.356SS*.  trans-109.681.2171.6-63.7-77.6000108.4D102 D103 C104Y100-D102 VanDerWaalsContact C-N 3.3Å; Y100-D102 PolarHBondContact O-N 3.01Å; Y100-D103 PolarHBondContact O-N 3.22Å; Y100-C104 PolarHBondContact O-N 2.79Å
101A86.4Confident87.5Confident1 Ų172.2 Ų72.21%0.00837%0.365CS..Hα-helixtrans-56.8-42.9-177.500000112.8V66 E69 D103 C104 I105V66-A101 HydrophobicContact CG2-CB 3.68Å; E69-A101 WeakPolarHBondContact OE1-CB 3.49Å; E69-A101 PolarHBondContact OE1-N 3.43Å; E69-A101 WeakPolarHBondContact OE2-CB 3.45Å; A101-D103 PolarHBondContact O-N 3.46Å; A101-C104 WeakPolarHBondContact O-CB 3.36Å; A101-C104 PolarHBondContact O-N 2.95Å; A101-I105 HydrophobicContact CB-CD1 4.49Å; A101-I105 WeakPolarHBondContact O-CB 3.31Å; A101-I105 VanDerWaalsContact O-CG1 3.24Å; A101-I105 WeakPolarHBondContact O-CG1 3.14Å; A101-I105 PolarHBondContact O-N 3.32Å
102D89.9Confident87Confident57 Ų5767.4 Ų67.431%0.30535%0.354SS..Hα-helixtrans-57.8-48.2-177.9-66.4-5.3000112.8Y100 I105 V106 L124Y100-D102 VanDerWaalsContact C-N 3.3Å; Y100-D102 PolarHBondContact O-N 3.01Å; D102-I105 PolarHBondContact O-N 2.91Å; D102-V106 WeakPolarHBondContact O-CB 3.33Å; D102-V106 VanDerWaalsContact O-CG2 3.24Å; D102-V106 WeakPolarHBondContact O-CG2 3.41Å; D102-V106 PolarHBondContact O-N 2.76Å; D102-L124 HydrophobicContact CB-CD1 4.11Å
103D91.4Very high86.4Confident76 Ų7667.9 Ų67.941%0.40636%0.355SS..Hα-helixtrans-67.2-41-179.6-67.5-24.9000111.1Y100 A101 I105 V106 Q107 R127Y100-D103 PolarHBondContact O-N 3.22Å; A101-D103 PolarHBondContact O-N 3.46Å; D103-I105 PolarHBondContact O-N 3.11Å; D103-V106 PolarHBondContact O-N 3.36Å; D103-Q107 WeakPolarHBondContact O-CB 3.31Å; D103-Q107 PolarHBondContact O-N 3.26Å; D103-R127 IonicContact OD1-CZ 3.91Å; D103-R127 IonicContact OD1-NH1 3.97Å; D103-R127 PolarHBondContact OD1-NH1 2.99Å; D103-R127 IonicContact OD1-NH2 2.73Å; D103-R127 PolarHBondContact OD1-NH2 2.81Å
104C92.3Very high86.1Confident4 Ų461.4 Ų61.43%0.02733%0.334CS..Hα-helixtrans-59.6-47.2174.3178.20000112.1C65 H96 Y100 A101 Q107 R108C65-C104 WeakPolarHBondContact SG-CB 3.44Å; C65-C104 VanDerWaalsContact SG-SG 3.66Å; H96-C104 WeakPolarHBondContact NE2-CB 3.23Å; H96-C104 PolarHBondContact NE2-SG 3.47Å; Y100-C104 PolarHBondContact O-N 2.79Å; A101-C104 WeakPolarHBondContact O-CB 3.36Å; A101-C104 PolarHBondContact O-N 2.95Å; C104-Q107 PolarHBondContact O-N 3.35Å; C104-R108 WeakPolarHBondContact O-CB 3.46Å; C104-R108 WeakPolarHBondContact O-CG 3.13Å; C104-R108 PolarHBondContact O-N 3.41Å
105I92.3Very high86.3Confident0 Ų061.9 Ų61.90%033%0.332CS..Hα-helixtrans-63.6-48.7-178.8-70.6166.3000109.1D32 V66 A101 D102 D103 Q107 R108 V109 V117 L124D32-I105 HydrophobicContact CB-CD1 4.14Å; V66-I105 HydrophobicContact CG2-CD1 4.45Å; A101-I105 HydrophobicContact CB-CD1 4.49Å; A101-I105 WeakPolarHBondContact O-CB 3.31Å; A101-I105 VanDerWaalsContact O-CG1 3.24Å; A101-I105 WeakPolarHBondContact O-CG1 3.14Å; A101-I105 PolarHBondContact O-N 3.32Å; D102-I105 PolarHBondContact O-N 2.91Å; D103-I105 PolarHBondContact O-N 3.11Å; I105-Q107 PolarHBondContact O-N 2.64Å; I105-R108 PolarHBondContact O-N 2.88Å; I105-V109 WeakPolarHBondContact O-CG1 2.92Å; I105-V109 WeakPolarHBondContact O-CG2 3.4Å; I105-V109 PolarHBondContact O-N 2.81Å; I105-V117 HydrophobicContact CG2-CG1 3.77Å; I105-V117 HydrophobicContact CG2-CG2 4.03Å; I105-L124 HydrophobicContact CD1-CD2 4.18Å
106V93Very high86.8Confident22 Ų2252.4 Ų52.413%0.13329%0.285CS..Hα-helixtrans-59.5-45.4179.7167.90000111.4D102 D103 T110 L124 R127 I131D102-V106 WeakPolarHBondContact O-CB 3.33Å; D102-V106 VanDerWaalsContact O-CG2 3.24Å; D102-V106 WeakPolarHBondContact O-CG2 3.41Å; D102-V106 PolarHBondContact O-N 2.76Å; D103-V106 PolarHBondContact O-N 3.36Å; V106-T110 VanDerWaalsContact O-CB 3.32Å; V106-T110 WeakPolarHBondContact O-CB 3.36Å; V106-T110 PolarHBondContact O-N 3.1Å; V106-T110 PolarHBondContact O-OG1 3.49Å; V106-L124 HydrophobicContact CG2-CD1 3.69Å; V106-R127 HydrophobicContact CG2-CB 4.06Å; V106-I131 HydrophobicContact CG1-CD1 4.26Å
107Q91.7Very high87.3Confident104 Ų10449.2 Ų49.249%0.48627%0.271SS..Hα-helixtrans-60.7-49.4176.9-178177.8-5.500111.1D103 C104 I105 V109 T110 E111D103-Q107 WeakPolarHBondContact O-CB 3.31Å; D103-Q107 PolarHBondContact O-N 3.26Å; C104-Q107 PolarHBondContact O-N 3.35Å; I105-Q107 PolarHBondContact O-N 2.64Å; Q107-V109 PolarHBondContact O-N 3.2Å; Q107-T110 WeakPolarHBondContact O-CB 3.42Å; Q107-T110 PolarHBondContact O-N 3.04Å; Q107-T110 VanDerWaalsContact O-N 3.13Å; Q107-E111 VanDerWaalsContact CG-OE1 3.26Å; Q107-E111 WeakPolarHBondContact CG-OE1 3.48Å; Q107-E111 PolarHBondContact NE2-OE1 2.83Å; Q107-E111 WeakPolarHBondContact O-CG 3.29Å; Q107-E111 PolarHBondContact O-N 2.99Å
108R91.2Very high88.3Confident36 Ų3643.5 Ų43.514%0.13623%0.231CC..Hα-helixtrans-61.4-44.1-178.3-79.1-175.1172.7174.81.7113.5L92 Y93 C94 C104 I105 T110 E111 A112L92-R108 VanDerWaalsContact C-NH2 3.3Å; L92-R108 PolarHBondContact O-NH2 3.3Å; Y93-R108 PolarHBondContact O-NH2 3.38Å; C94-R108 PolarHBondContact SG-NH2 3.04Å; C94-R108 VanDerWaalsContact SG-NH2 3.43Å; C104-R108 WeakPolarHBondContact O-CB 3.46Å; C104-R108 WeakPolarHBondContact O-CG 3.13Å; C104-R108 PolarHBondContact O-N 3.41Å; I105-R108 PolarHBondContact O-N 2.88Å; R108-T110 VanDerWaalsContact C-N 3.26Å; R108-T110 PolarHBondContact O-N 3.38Å; R108-E111 PolarHBondContact O-N 2.83Å; R108-A112 PolarHBondContact O-N 2.79Å
109V90.9Very high89.2Confident0 Ų041.2 Ų41.20%021%0.207CC..Hα-helixtrans-74.9-19.8178.7-56.70000112.9L30 I105 Q107 K113 V117 I131 V134L30-V109 HydrophobicContact CD1-CG1 3.52Å; I105-V109 WeakPolarHBondContact O-CG1 2.92Å; I105-V109 WeakPolarHBondContact O-CG2 3.4Å; I105-V109 PolarHBondContact O-N 2.81Å; Q107-V109 PolarHBondContact O-N 3.2Å; V109-K113 WeakPolarHBondContact O-CG 3.36Å; V109-V117 HydrophobicContact CB-CG2 4.42Å; V109-V117 HydrophobicContact CG1-CG2 3.5Å; V109-V117 VanDerWaalsContact CG1-CG2 3.5Å; V109-V117 HydrophobicContact CG2-CG2 4.46Å; V109-I131 HydrophobicContact CG2-CD1 3.63Å; V109-V134 HydrophobicContact CB-CG1 4.06Å; V109-V134 HydrophobicContact CB-CG2 4.1Å; V109-V134 HydrophobicContact CG1-CG1 4.34Å; V109-V134 HydrophobicContact CG2-CG1 4.25Å; V109-V134 HydrophobicContact CG2-CG2 4.39Å
110T89.2Confident90.1Very high73 Ų7340.3 Ų40.345%0.44820%0.202SC..Hα-helixtrans-72.3-46.1171-58.80000110.9V106 Q107 R108 I131V106-T110 VanDerWaalsContact O-CB 3.32Å; V106-T110 WeakPolarHBondContact O-CB 3.36Å; V106-T110 PolarHBondContact O-N 3.1Å; V106-T110 PolarHBondContact O-OG1 3.49Å; Q107-T110 WeakPolarHBondContact O-CB 3.42Å; Q107-T110 PolarHBondContact O-N 3.04Å; Q107-T110 VanDerWaalsContact O-N 3.13Å; R108-T110 VanDerWaalsContact C-N 3.26Å; R108-T110 PolarHBondContact O-N 3.38Å; T110-I131 VanDerWaalsContact OG1-CD1 3.27Å; T110-I131 WeakPolarHBondContact OG1-CD1 3.38Å
111E86.3Confident90.7Very high140 Ų14034.7 Ų34.765%0.65418%0.183SC*.Hα-helixtrans-70.3-49.1179.2-70.2172.6-171.300111.9Q107 R108Q107-E111 VanDerWaalsContact CG-OE1 3.26Å; Q107-E111 WeakPolarHBondContact CG-OE1 3.48Å; Q107-E111 PolarHBondContact NE2-OE1 2.83Å; Q107-E111 WeakPolarHBondContact O-CG 3.29Å; Q107-E111 PolarHBondContact O-N 2.99Å; R108-E111 PolarHBondContact O-N 2.83Å
112A82.7Confident91.1Very high35 Ų3543 Ų4329%0.28922%0.219SC..  trans-119.897.5-177.200000109.9R108 C114 Y115R108-A112 PolarHBondContact O-N 2.79Å; A112-C114 PolarHBondContact O-N 2.67Å; A112-Y115 HydrophobicContact CB-CD2 4.3Å; A112-Y115 HydrophobicContact CB-CE2 3.89Å; A112-Y115 WeakPolarHBondContact O-CD2 3.41Å
113K80Confident91.3Very high41 Ų4145.2 Ų45.218%0.17823%0.231CC..THydrogen-bonded Turntrans-75.420.7-179.7-60.4-178.5174-155.70113.6L15 N20 V109 Y115 V132L15-K113 HydrophobicContact CD1-CD 3.66Å; L15-K113 HydrophobicContact CD2-CD 4.4Å; L15-K113 HydrophobicContact CG-CD 4.28Å; N20-K113 WeakPolarHBondContact ND2-CB 3.37Å; N20-K113 PolarHBondContact ND2-O 2.88Å; V109-K113 WeakPolarHBondContact O-CG 3.36Å; K113-Y115 VanDerWaalsContact C-N 3.34Å; K113-V132 PolarHBondContact NZ-O 3.37Å
114C85.6Confident91.4Very high34 Ų3441.6 Ų41.623%0.2321%0.212CC..THydrogen-bonded Turntrans-94.111.7-179.655.70000113.6R22 A112R22-C114 HydrophobicContact CB-CB 4.35Å; A112-C114 PolarHBondContact O-N 2.67Å
115Y92.5Very high91.5Very high36 Ų3642.7 Ų42.714%0.14122%0.216CC..EExtended strand (participates in β ladder)trans-110.4143.7-177.8-63-67.5000112.5H28 L30 Y61 L92 A112 K113H28-Y115 HydrophobicContact CB-CD1 3.71Å; H28-Y115 HydrophobicContact CB-CE1 3.95Å; H28-Y115 WeakPolarHBondContact O-CA 3.41Å; L30-Y115 HydrophobicContact CD1-CD1 4.13Å; L30-Y115 HydrophobicContact CD1-CD2 3.84Å; L30-Y115 HydrophobicContact CD1-CG 3.61Å; L30-Y115 HydrophobicContact CD2-CD1 4.28Å; L30-Y115 HydrophobicContact CD2-CE1 4.43Å; L30-Y115 HydrophobicContact CG-CD1 3.81Å; L30-Y115 HydrophobicContact CG-CD2 4.41Å; L30-Y115 HydrophobicContact CG-CE1 4.44Å; L30-Y115 HydrophobicContact CG-CG 3.8Å; Y61-Y115 HydrophobicContact CD2-CE1 4.35Å; L92-Y115 HydrophobicContact CD1-CE1 4.41Å; A112-Y115 HydrophobicContact CB-CD2 4.3Å; A112-Y115 HydrophobicContact CB-CE2 3.89Å; A112-Y115 WeakPolarHBondContact O-CD2 3.41Å; K113-Y115 VanDerWaalsContact C-N 3.34Å
116I93.9Very high91.7Very high0 Ų050.9 Ų50.90%025%0.247CC..EExtended strand (participates in β ladder)trans-91.4135.6158.8-59.8178.1000107L23 Y27 H28 V29 L30 L54 P135 M137 I146L23-I116 HydrophobicContact CD2-CG1 4.33Å; Y27-I116 HydrophobicContact CD1-CD1 3.82Å; Y27-I116 HydrophobicContact CG-CD1 3.99Å; H28-I116 PolarHBondContact O-N 3.42Å; V29-I116 CarbonylContact C-O 3.57Å; V29-I116 WeakPolarHBondContact CA-O 3.46Å; V29-I116 HydrophobicContact CG1-CB 4.42Å; V29-I116 HydrophobicContact CG1-CG2 4.35Å; V29-I116 HydrophobicContact CG2-CB 4.26Å; L30-I116 PolarHBondContact N-O 3.17Å; L54-I116 HydrophobicContact CD1-CD1 3.75Å; L54-I116 HydrophobicContact CD2-CD1 4.28Å; I116-P135 HydrophobicContact CG1-CB 4.09Å; I116-P135 HydrophobicContact CG1-CG 4.08Å; I116-P135 HydrophobicContact CG2-CB 4.26Å; I116-M137 HydrophobicContact CG2-CB 3.97Å; I116-I146 HydrophobicContact CD1-CD1 3.99Å; I116-I146 HydrophobicContact CG2-CD1 4.09Å
117V95.8Very high91.7Very high0 Ų053.9 Ų53.90%026%0.256CS..EExtended strand (participates in β ladder)trans-99.7121.6174.9-174.20000110.3I105 V109 T119 I128 V134 P135 I136 M137I105-V117 HydrophobicContact CG2-CG1 3.77Å; I105-V117 HydrophobicContact CG2-CG2 4.03Å; V109-V117 HydrophobicContact CB-CG2 4.42Å; V109-V117 HydrophobicContact CG1-CG2 3.5Å; V109-V117 VanDerWaalsContact CG1-CG2 3.5Å; V109-V117 HydrophobicContact CG2-CG2 4.46Å; V117-T119 HydrophobicContact CG1-CG2 4.05Å; V117-I128 HydrophobicContact CB-CD1 3.73Å; V117-I128 HydrophobicContact CG1-CD1 3.49Å; V117-I128 VanDerWaalsContact CG1-CD1 3.49Å; V117-I128 HydrophobicContact CG2-CD1 3.9Å; V117-I128 HydrophobicContact CG2-CG1 4.48Å; V117-I128 HydrophobicContact CG2-CG2 4.45Å; V117-V134 HydrophobicContact CG2-CG1 3.93Å; V117-P135 PolarHBondContact N-O 2.9Å; V117-I136 CarbonylContact O-C 3.57Å; V117-I136 WeakPolarHBondContact O-CA 3.32Å; V117-M137 PolarHBondContact O-N 2.85Å
118A96.7Very high91.8Very high0 Ų049 Ų490%023%0.233CC..EExtended strand (participates in β ladder)trans-95102.4172.700000110.3V29 L30 L31 D32 F35 M137V29-A118 HydrophobicContact CG1-CB 3.71Å; L30-A118 PolarHBondContact O-N 2.76Å; L31-A118 HydrophobicContact CD2-CB 3.66Å; D32-A118 WeakPolarHBondContact CB-O 3.43Å; D32-A118 PolarHBondContact N-O 3.25Å; F35-A118 VanDerWaalsContact CB-O 3.26Å; F35-A118 WeakPolarHBondContact CB-O 3.2Å; F35-A118 HydrophobicContact CD1-CB 3.75Å; F35-A118 HydrophobicContact CD2-CB 3.89Å; F35-A118 HydrophobicContact CE1-CB 3.76Å; F35-A118 HydrophobicContact CE2-CB 3.89Å; F35-A118 HydrophobicContact CG-CB 3.81Å; F35-A118 HydrophobicContact CZ-CB 3.82Å; A118-M137 CarbonylContact C-O 3.49Å; A118-M137 VanDerWaalsContact CA-O 3.29Å; A118-M137 WeakPolarHBondContact CA-O 3.37Å; A118-M137 HydrophobicContact CB-CB 4.17Å
119T95.9Very high91.8Very high0 Ų052.2 Ų52.20%025%0.245CC..  trans-144.9145.3178.6-177.40000111.7D32 V117 D121 L124 K125 I128 I136 M137 Y138D32-T119 PolarHBondContact OD2-OG1 3.12Å; V117-T119 HydrophobicContact CG1-CG2 4.05Å; T119-D121 PolarHBondContact OG1-N 2.94Å; T119-L124 HydrophobicContact CG2-CB 4.47Å; T119-L124 HydrophobicContact CG2-CD2 4.07Å; T119-L124 HydrophobicContact CG2-CG 4.14Å; T119-K125 HydrophobicContact CG2-CG 3.88Å; T119-K125 WeakPolarHBondContact O-CE 3.43Å; T119-I128 HydrophobicContact CG2-CD1 4.13Å; T119-I136 HydrophobicContact CG2-CG2 4.42Å; T119-M137 PolarHBondContact N-O 2.95Å; T119-Y138 WeakPolarHBondContact O-CB 3.08Å
120C93.7Very high91.8Very high25 Ų2559.9 Ų59.917%0.16928%0.279CS..  trans-103.2-3169.7-68.70000112.5F38F38-C120 HydrophobicContact CD2-CB 3.63Å; F38-C120 HydrophobicContact CE2-CB 3.9Å; F38-C120 HydrophobicContact CG-CB 4.46Å
121D94Very high91.8Very high45 Ų4557.3 Ų57.324%0.24126%0.262CS..  trans-74.2133.6-178.5-175.8-91.9000111.9T119 D123 L124 K125T119-D121 PolarHBondContact OG1-N 2.94Å; D121-D123 WeakPolarHBondContact OD1-CA 3.47Å; D121-D123 WeakPolarHBondContact OD1-CB 3.47Å; D121-D123 PolarHBondContact OD1-N 2.73Å; D121-L124 HydrophobicContact CB-CB 4.01Å; D121-L124 PolarHBondContact OD1-N 3.14Å; D121-K125 WeakPolarHBondContact O-CB 3.23Å; D121-K125 WeakPolarHBondContact O-CG 3.4Å; D121-K125 PolarHBondContact O-N 3.06Å; D121-K125 VanDerWaalsContact O-N 3.11Å
122K94.1Very high91.8Very high174 Ų17453.8 Ų53.876%0.75725%0.25SC*.Hα-helixtrans-72.7-38.5-174.1-70-176.8-179.4178.60111.8R126K122-R126 PolarHBondContact O-N 3.03Å
123D94.3Very high91.9Very high105 Ų10552.8 Ų52.856%0.56124%0.243SC*.Hα-helixtrans-74.2-43.3-177.2-69.8-57.1000110.7D121 K125 R126 R127D121-D123 WeakPolarHBondContact OD1-CA 3.47Å; D121-D123 WeakPolarHBondContact OD1-CB 3.47Å; D121-D123 PolarHBondContact OD1-N 2.73Å; D123-K125 PolarHBondContact O-N 2.96Å; D123-R126 WeakPolarHBondContact O-CB 3.46Å; D123-R126 PolarHBondContact O-N 3.24Å; D123-R126 VanDerWaalsContact O-N 3.13Å; D123-R127 WeakPolarHBondContact O-CG 3.47Å; D123-R127 PolarHBondContact O-N 2.86Å
124L93.8Very high92.5Very high0 Ų050.9 Ų50.90%023%0.234CC..Hα-helixtrans-61.8-43.6174.3-174.355.3000111.3D102 I105 V106 T119 D121 R126 R127 I128D102-L124 HydrophobicContact CB-CD1 4.11Å; I105-L124 HydrophobicContact CD1-CD2 4.18Å; V106-L124 HydrophobicContact CG2-CD1 3.69Å; T119-L124 HydrophobicContact CG2-CB 4.47Å; T119-L124 HydrophobicContact CG2-CD2 4.07Å; T119-L124 HydrophobicContact CG2-CG 4.14Å; D121-L124 HydrophobicContact CB-CB 4.01Å; D121-L124 PolarHBondContact OD1-N 3.14Å; L124-R126 VanDerWaalsContact C-N 3.33Å; L124-R126 PolarHBondContact O-N 2.82Å; L124-R127 PolarHBondContact O-N 2.9Å; L124-R127 VanDerWaalsContact O-N 3.16Å; L124-I128 HydrophobicContact CD1-CD1 3.93Å; L124-I128 HydrophobicContact CD1-CG1 4.23Å; L124-I128 HydrophobicContact CD2-CD1 4.46Å; L124-I128 HydrophobicContact CG-CD1 3.71Å; L124-I128 HydrophobicContact CG-CG1 4.47Å; L124-I128 WeakPolarHBondContact O-CD1 3.36Å; L124-I128 VanDerWaalsContact O-CG1 3.31Å; L124-I128 WeakPolarHBondContact O-CG1 3.31Å; L124-I128 PolarHBondContact O-N 3.2Å
125K94.9Very high92.8Very high26 Ų2649.2 Ų49.211%0.11322%0.224CC..Hα-helixtrans-56.6-45.8171.8-76.7-178.7-177.2-177.10112T119 D121 D123 R127 I128 R129 I136 Y138T119-K125 HydrophobicContact CG2-CG 3.88Å; T119-K125 WeakPolarHBondContact O-CE 3.43Å; D121-K125 WeakPolarHBondContact O-CB 3.23Å; D121-K125 WeakPolarHBondContact O-CG 3.4Å; D121-K125 PolarHBondContact O-N 3.06Å; D121-K125 VanDerWaalsContact O-N 3.11Å; D123-K125 PolarHBondContact O-N 2.96Å; K125-R127 VanDerWaalsContact C-N 3.29Å; K125-R127 PolarHBondContact O-N 2.8Å; K125-I128 PolarHBondContact O-N 3.39Å; K125-R129 VanDerWaalsContact O-CG 3.31Å; K125-R129 WeakPolarHBondContact O-CG 3.35Å; K125-R129 PolarHBondContact O-N 3.02Å; K125-I136 HydrophobicContact CD-CG2 4.38Å; K125-I136 HydrophobicContact CG-CG2 3.91Å; K125-Y138 VanDerWaalsContact NZ-CG 3.25Å
126R94.7Very high92.9Very high172 Ų17247.5 Ų47.565%0.64922%0.217SC*.Hα-helixtrans-60.6-39178.2-174.3-178.4-179.1-170.81.2111.6K122 D123 L124K122-R126 PolarHBondContact O-N 3.03Å; D123-R126 WeakPolarHBondContact O-CB 3.46Å; D123-R126 PolarHBondContact O-N 3.24Å; D123-R126 VanDerWaalsContact O-N 3.13Å; L124-R126 VanDerWaalsContact C-N 3.33Å; L124-R126 PolarHBondContact O-N 2.82Å
127R94.2Very high93Very high86 Ų8647.5 Ų47.533%0.32522%0.217SC..Hα-helixtrans-66.7-47.2176-67.7173.367.8177.32.3111.5D103 V106 D123 L124 K125 R129 K130D103-R127 IonicContact OD1-CZ 3.91Å; D103-R127 IonicContact OD1-NH1 3.97Å; D103-R127 PolarHBondContact OD1-NH1 2.99Å; D103-R127 IonicContact OD1-NH2 2.73Å; D103-R127 PolarHBondContact OD1-NH2 2.81Å; V106-R127 HydrophobicContact CG2-CB 4.06Å; D123-R127 WeakPolarHBondContact O-CG 3.47Å; D123-R127 PolarHBondContact O-N 2.86Å; L124-R127 PolarHBondContact O-N 2.9Å; L124-R127 VanDerWaalsContact O-N 3.16Å; K125-R127 VanDerWaalsContact C-N 3.29Å; K125-R127 PolarHBondContact O-N 2.8Å; R127-R129 PolarHBondContact O-N 3.11Å; R127-K130 WeakPolarHBondContact O-CB 3.41Å; R127-K130 PolarHBondContact O-N 2.91Å
128I92.9Very high93Very high0 Ų049.7 Ų49.70%023%0.225CC..Hα-helixtrans-66.9-35.8-178.6-63.6158.5000111.9V117 T119 L124 K125 K130 I131 V134 I136V117-I128 HydrophobicContact CB-CD1 3.73Å; V117-I128 HydrophobicContact CG1-CD1 3.49Å; V117-I128 VanDerWaalsContact CG1-CD1 3.49Å; V117-I128 HydrophobicContact CG2-CD1 3.9Å; V117-I128 HydrophobicContact CG2-CG1 4.48Å; V117-I128 HydrophobicContact CG2-CG2 4.45Å; T119-I128 HydrophobicContact CG2-CD1 4.13Å; L124-I128 HydrophobicContact CD1-CD1 3.93Å; L124-I128 HydrophobicContact CD1-CG1 4.23Å; L124-I128 HydrophobicContact CD2-CD1 4.46Å; L124-I128 HydrophobicContact CG-CD1 3.71Å; L124-I128 HydrophobicContact CG-CG1 4.47Å; L124-I128 WeakPolarHBondContact O-CD1 3.36Å; L124-I128 VanDerWaalsContact O-CG1 3.31Å; L124-I128 WeakPolarHBondContact O-CG1 3.31Å; L124-I128 PolarHBondContact O-N 3.2Å; K125-I128 PolarHBondContact O-N 3.39Å; I128-K130 PolarHBondContact O-N 3.29Å; I128-K130 VanDerWaalsContact O-N 3.12Å; I128-I131 WeakPolarHBondContact O-CA 3.37Å; I128-I131 WeakPolarHBondContact O-CB 3.42Å; I128-I131 PolarHBondContact O-N 2.91Å; I128-V134 HydrophobicContact CG2-CB 4.04Å; I128-V134 HydrophobicContact CG2-CG1 3.59Å; I128-I136 HydrophobicContact CB-CD1 3.98Å; I128-I136 HydrophobicContact CB-CG1 4.29Å; I128-I136 HydrophobicContact CG2-CD1 3.83Å; I128-I136 HydrophobicContact CG2-CG1 3.67Å
129R91.7Very high93Very high104 Ų10451 Ų5139%0.39223%0.232SC..Hα-helixtrans-58.5-26.1175.9-76-178.3-171.3120-1.3113.6K125 R127 I131 I136 E147 R148K125-R129 VanDerWaalsContact O-CG 3.31Å; K125-R129 WeakPolarHBondContact O-CG 3.35Å; K125-R129 PolarHBondContact O-N 3.02Å; R127-R129 PolarHBondContact O-N 3.11Å; R129-I131 PolarHBondContact O-N 3.48Å; R129-I136 HydrophobicContact CG-CD1 3.66Å; R129-E147 IonicContact CZ-OE1 3.88Å; R129-E147 IonicContact CZ-OE2 3.41Å; R129-E147 IonicContact NE-OE1 3.91Å; R129-E147 PolarHBondContact NE-OE1 3.21Å; R129-E147 IonicContact NE-OE2 2.74Å; R129-E147 PolarHBondContact NE-OE2 3.04Å; R129-E147 VanDerWaalsContact NE-OE2 3.14Å; R129-E147 IonicContact NH2-OE1 2.96Å; R129-E147 IonicContact NH2-OE2 3.23Å; R129-E147 PolarHBondContact NH2-OE2 3.12Å; R129-R148 PolarHBondContact O-NH1 3.22Å
130K91.2Very high92.8Very high162 Ų16253.1 Ų53.170%0.70425%0.247SC*.THydrogen-bonded Turntrans-69.9-21.7173.9-61.1178.8179.9-178.50112.6R127 I128R127-K130 WeakPolarHBondContact O-CB 3.41Å; R127-K130 PolarHBondContact O-N 2.91Å; I128-K130 PolarHBondContact O-N 3.29Å; I128-K130 VanDerWaalsContact O-N 3.12Å
131I88.8Confident92.7Very high19 Ų1958.8 Ų58.810%0.09728%0.276CS..SBendtrans-89.4116.9-179.7-51.1171.1000108.5V106 V109 T110 I128 R129 V134 R148V106-I131 HydrophobicContact CG1-CD1 4.26Å; V109-I131 HydrophobicContact CG2-CD1 3.63Å; T110-I131 VanDerWaalsContact OG1-CD1 3.27Å; T110-I131 WeakPolarHBondContact OG1-CD1 3.38Å; I128-I131 WeakPolarHBondContact O-CA 3.37Å; I128-I131 WeakPolarHBondContact O-CB 3.42Å; I128-I131 PolarHBondContact O-N 2.91Å; R129-I131 PolarHBondContact O-N 3.48Å; I131-V134 HydrophobicContact CB-CG2 4.19Å; I131-V134 HydrophobicContact CG2-CG2 3.62Å; I131-R148 PolarHBondContact O-NH1 3.32Å
132V86.8Confident92.5Very high65 Ų6563 Ų6339%0.39429%0.293SS..THydrogen-bonded Turntrans-72.4133.6179.1-173.80000110.2L15 Q18 K113L15-V132 HydrophobicContact CD2-CB 4.42Å; L15-V132 HydrophobicContact CD2-CG1 3.98Å; Q18-V132 HydrophobicContact CG-CG1 4.42Å; K113-V132 PolarHBondContact NZ-O 3.37Å
133G85.5Confident92.5Very high14 Ų1462.6 Ų62.614%0.14429%0.287CS..THydrogen-bonded Turntrans86.715.8174.100000115.2N20 L23N20-G133 PolarHBondContact ND2-O 2.81Å; N20-G133 VanDerWaalsContact ND2-O 3.12Å; L23-G133 WeakPolarHBondContact CD1-O 3.41Å
134V91Very high92.5Very high1 Ų158.2 Ų58.21%0.00626%0.263CS..  trans-112.4109.8177.3-177.30000109.7V109 V117 I128 I131V109-V134 HydrophobicContact CB-CG1 4.06Å; V109-V134 HydrophobicContact CB-CG2 4.1Å; V109-V134 HydrophobicContact CG1-CG1 4.34Å; V109-V134 HydrophobicContact CG2-CG1 4.25Å; V109-V134 HydrophobicContact CG2-CG2 4.39Å; V117-V134 HydrophobicContact CG2-CG1 3.93Å; I128-V134 HydrophobicContact CG2-CB 4.04Å; I128-V134 HydrophobicContact CG2-CG1 3.59Å; I131-V134 HydrophobicContact CB-CG2 4.19Å; I131-V134 HydrophobicContact CG2-CG2 3.62Å
135P93.1Very high92.6Very high0 Ų059.1 Ų59.10%027%0.268CS..  trans-71.7152.1174.7-17.231.1000112.2L23 I116 V117 I146 E147 L149L23-P135 HydrophobicContact CD1-CG 3.69Å; I116-P135 HydrophobicContact CG1-CB 4.09Å; I116-P135 HydrophobicContact CG1-CG 4.08Å; I116-P135 HydrophobicContact CG2-CB 4.26Å; V117-P135 PolarHBondContact N-O 2.9Å; P135-I146 HydrophobicContact CB-CD1 3.86Å; P135-I146 HydrophobicContact CB-CG1 4.19Å; P135-E147 WeakPolarHBondContact CA-O 3.45Å; P135-L149 HydrophobicContact CB-CB 4.12Å; P135-L149 HydrophobicContact CB-CD1 4.44Å; P135-L149 HydrophobicContact CG-CB 4.28Å; P135-L149 HydrophobicContact CG-CD1 3.81Å
136I95Very high92.4Very high0 Ų058 Ų580%026%0.264CS..EExtended strand (participates in β ladder)trans-121.4117.4-178.7-57.7174.6000108.8V117 T119 K125 I128 R129 I146 E147V117-I136 CarbonylContact O-C 3.57Å; V117-I136 WeakPolarHBondContact O-CA 3.32Å; T119-I136 HydrophobicContact CG2-CG2 4.42Å; K125-I136 HydrophobicContact CD-CG2 4.38Å; K125-I136 HydrophobicContact CG-CG2 3.91Å; I128-I136 HydrophobicContact CB-CD1 3.98Å; I128-I136 HydrophobicContact CB-CG1 4.29Å; I128-I136 HydrophobicContact CG2-CD1 3.83Å; I128-I136 HydrophobicContact CG2-CG1 3.67Å; R129-I136 HydrophobicContact CG-CD1 3.66Å; I136-I146 CarbonylContact O-C 3.58Å; I136-I146 WeakPolarHBondContact O-CA 3.34Å; I136-E147 HydrophobicContact CB-CB 4.36Å; I136-E147 PolarHBondContact N-O 3.04Å; I136-E147 PolarHBondContact O-N 3.36Å
137M95.7Very high92.2Very high0 Ų052.2 Ų52.20%024%0.244CC..EExtended strand (participates in β ladder)trans-94.5138.8170.6-175.3179.1-7200110.4F35 M50 C53 L54 I116 V117 A118 T119 Y144 T145F35-M137 HydrophobicContact CE2-CG 4.38Å; F35-M137 HydrophobicContact CZ-CG 4.28Å; F35-M137 HydrophobicContact CZ-SD 4.24Å; M50-M137 HydrophobicContact CB-CE 4.42Å; M50-M137 HydrophobicContact CB-SD 4.48Å; M50-M137 HydrophobicContact CG-CE 4.19Å; M50-M137 HydrophobicContact CG-SD 3.72Å; C53-M137 HydrophobicContact CB-CE 4.38Å; L54-M137 HydrophobicContact CD1-CE 3.54Å; L54-M137 HydrophobicContact CD2-CE 4.21Å; L54-M137 HydrophobicContact CG-CE 3.71Å; I116-M137 HydrophobicContact CG2-CB 3.97Å; V117-M137 PolarHBondContact O-N 2.85Å; A118-M137 CarbonylContact C-O 3.49Å; A118-M137 VanDerWaalsContact CA-O 3.29Å; A118-M137 WeakPolarHBondContact CA-O 3.37Å; A118-M137 HydrophobicContact CB-CB 4.17Å; T119-M137 PolarHBondContact N-O 2.95Å; M137-Y144 HydrophobicContact SD-CD2 3.67Å; M137-Y144 HydrophobicContact SD-CE2 4.37Å; M137-Y144 HydrophobicContact SD-CG 4.26Å; M137-T145 CarbonylContact C-O 3.56Å; M137-T145 WeakPolarHBondContact CA-O 3.31Å
138Y96Very high91.6Very high45 Ų4553.3 Ų53.318%0.17625%0.248CC..EExtended strand (participates in β ladder)trans-150.7168179.463.5-83000111.5T119 K125 Y144 T145 E147T119-Y138 WeakPolarHBondContact O-CB 3.08Å; K125-Y138 VanDerWaalsContact NZ-CG 3.25Å; Y138-Y144 CarbonylContact O-C 3.25Å; Y138-Y144 WeakPolarHBondContact O-CA 3.28Å; Y138-T145 HydrophobicContact CE1-CG2 4.08Å; Y138-T145 HydrophobicContact CE2-CG2 4.33Å; Y138-T145 PolarHBondContact N-O 2.83Å; Y138-T145 PolarHBondContact O-N 3.42Å; Y138-T145 WeakPolarHBondContact OH-CG2 3.49Å; Y138-E147 HydrophobicContact CE1-CB 4.27Å
139I95.1Very high90.9Very high27 Ų2754.1 Ų54.114%0.13825%0.253CS..EExtended strand (participates in β ladder)trans-96.1129.2178-62.3157.9000109.4F35 F38 L44 R143 Y144F35-I139 HydrophobicContact CD2-CD1 4.25Å; F35-I139 HydrophobicContact CD2-CG1 4.37Å; F35-I139 HydrophobicContact CE2-CD1 4.11Å; F35-I139 HydrophobicContact CE2-CG1 3.83Å; F35-I139 HydrophobicContact CZ-CD1 4.48Å; F35-I139 HydrophobicContact CZ-CG1 4.27Å; F38-I139 HydrophobicContact CB-CD1 3.48Å; F38-I139 VanDerWaalsContact CB-CD1 3.48Å; L44-I139 HydrophobicContact CD1-CG1 4.5Å; L44-I139 HydrophobicContact CD1-CG2 4.23Å; I139-R143 WeakPolarHBondContact CA-O 3.44Å; I139-Y144 HydrophobicContact CD1-CD1 4.47Å; I139-Y144 HydrophobicContact CD1-CE1 3.92Å; I139-Y144 HydrophobicContact CG1-CD1 3.57Å; I139-Y144 HydrophobicContact CG1-CE1 3.5Å
140S92.7Very high89.8Confident45 Ų4553.4 Ų53.432%0.31526%0.261SS..EExtended strand (participates in β ladder)trans-145.1140172.9-171.40000109.3H142 R143S140-H142 VanDerWaalsContact C-N 3.3Å; S140-H142 PolarHBondContact O-N 3.24Å; S140-R143 PolarHBondContact N-O 3.11Å; S140-R143 CarbonylContact O-C 3.49Å; S140-R143 PolarHBondContact O-N 3.05Å
141N90.6Very high88.5Confident145 Ų14549.4 Ų49.478%0.77525%0.248SC*.THydrogen-bonded Turntrans47.647.7178.6-62.3-18.7000114R143N141-R143 PolarHBondContact O-N 3.41Å; N141-R143 VanDerWaalsContact O-N 3.11Å
142H90.8Very high87Confident132 Ų13249.7 Ų49.761%0.61125%0.253SS*.THydrogen-bonded Turntrans55.525.1-177.1-56.2-65.3000114.8N42 L44 S140N42-H142 PolarHBondContact OD1-CE1 3.2Å; N42-H142 PolarHBondContact OD1-ND1 2.79Å; L44-H142 WeakPolarHBondContact CD2-O 3.33Å; S140-H142 VanDerWaalsContact C-N 3.3Å; S140-H142 PolarHBondContact O-N 3.24Å
143R93.3Very high85.5Confident166 Ų16657.3 Ų57.363%0.62628%0.276SS*.EExtended strand (participates in β ladder)trans-138.7160.9177.3-65.3179.665.9179.1-1.4110.2I139 S140 N141I139-R143 WeakPolarHBondContact CA-O 3.44Å; S140-R143 PolarHBondContact N-O 3.11Å; S140-R143 CarbonylContact O-C 3.49Å; S140-R143 PolarHBondContact O-N 3.05Å; N141-R143 PolarHBondContact O-N 3.41Å; N141-R143 VanDerWaalsContact O-N 3.11Å
144Y95.7Very high83.6Confident13 Ų1358.9 Ų58.95%0.05129%0.292CS..EExtended strand (participates in β ladder)trans-79.5142.3169.3-68.61.2000109.2F35 S39 L44 I46 S49 M50 M137 Y138 I139F35-Y144 HydrophobicContact CE1-CE1 4.14Å; F35-Y144 AromaticContact CE1-CE2 3.84Å; F35-Y144 HydrophobicContact CE1-CE2 3.84Å; F35-Y144 AromaticContact CE1-CZ 3.57Å; F35-Y144 WeakPolarHBondContact CE1-OH 3.3Å; F35-Y144 HydrophobicContact CE2-CE1 4.37Å; F35-Y144 AromaticContact CZ-CD1 3.97Å; F35-Y144 HydrophobicContact CZ-CD1 3.97Å; F35-Y144 AromaticContact CZ-CD2 3.95Å; F35-Y144 HydrophobicContact CZ-CD2 3.95Å; F35-Y144 AromaticContact CZ-CE1 3.61Å; F35-Y144 HydrophobicContact CZ-CE1 3.61Å; F35-Y144 AromaticContact CZ-CE2 3.6Å; F35-Y144 HydrophobicContact CZ-CE2 3.6Å; F35-Y144 HydrophobicContact CZ-CG 4.14Å; F35-Y144 AromaticContact CZ-CZ 3.42Å; F35-Y144 VanDerWaalsContact CZ-CZ 3.42Å; S39-Y144 VanDerWaalsContact CB-OH 3.31Å; S39-Y144 WeakPolarHBondContact CB-OH 3.46Å; S39-Y144 PolarHBondContact OG-OH 3Å; L44-Y144 HydrophobicContact CB-CE1 4.2Å; L44-Y144 HydrophobicContact CD1-CD1 3.86Å; L44-Y144 HydrophobicContact CD1-CE1 3.58Å; I46-Y144 WeakPolarHBondContact CA-OH 3.23Å; S49-Y144 VanDerWaalsContact CB-CD2 3.41Å; M50-Y144 HydrophobicContact CG-CD2 3.97Å; M50-Y144 HydrophobicContact CG-CE2 3.81Å; M137-Y144 HydrophobicContact SD-CD2 3.67Å; M137-Y144 HydrophobicContact SD-CE2 4.37Å; M137-Y144 HydrophobicContact SD-CG 4.26Å; Y138-Y144 CarbonylContact O-C 3.25Å; Y138-Y144 WeakPolarHBondContact O-CA 3.28Å; I139-Y144 HydrophobicContact CD1-CD1 4.47Å; I139-Y144 HydrophobicContact CD1-CE1 3.92Å; I139-Y144 HydrophobicContact CG1-CD1 3.57Å; I139-Y144 HydrophobicContact CG1-CE1 3.5Å
145T94Very high81.4Confident19 Ų1961.1 Ų61.112%0.11731%0.311CS..EExtended strand (participates in β ladder)trans-134.3149.3177.2-53.50000107.7M137 Y138 P156M137-T145 CarbonylContact C-O 3.56Å; M137-T145 WeakPolarHBondContact CA-O 3.31Å; Y138-T145 HydrophobicContact CE1-CG2 4.08Å; Y138-T145 HydrophobicContact CE2-CG2 4.33Å; Y138-T145 PolarHBondContact N-O 2.83Å; Y138-T145 PolarHBondContact O-N 3.42Å; Y138-T145 WeakPolarHBondContact OH-CG2 3.49Å; T145-P156 HydrophobicContact CG2-CG 4.33Å
146I92.5Very high78.7Confident3 Ų364.8 Ų64.82%0.01534%0.335CS..EExtended strand (participates in β ladder)trans-122.2141179.2-171159.4000111.6L54 I116 P135 I136 L149 A152 A155L54-I146 HydrophobicContact CD2-CD1 3.5Å; L54-I146 HydrophobicContact CD2-CG2 4.38Å; I116-I146 HydrophobicContact CD1-CD1 3.99Å; I116-I146 HydrophobicContact CG2-CD1 4.09Å; P135-I146 HydrophobicContact CB-CD1 3.86Å; P135-I146 HydrophobicContact CB-CG1 4.19Å; I136-I146 CarbonylContact O-C 3.58Å; I136-I146 WeakPolarHBondContact O-CA 3.34Å; I146-L149 HydrophobicContact CD1-CB 3.71Å; I146-L149 HydrophobicContact CD1-CD2 3.71Å; I146-L149 HydrophobicContact CD1-CG 4.25Å; I146-L149 HydrophobicContact CG1-CB 3.99Å; I146-A152 HydrophobicContact CG2-CB 3.59Å; I146-A155 WeakPolarHBondContact O-CB 3.43Å
147E90.2Very high76.1Confident51 Ų5174.7 Ų74.724%0.23838%0.378CS..EExtended strand (participates in β ladder)trans-111.3147.6172.4-159.6-166.1127.200109.4R129 P135 I136 Y138 L149R129-E147 IonicContact CZ-OE1 3.88Å; R129-E147 IonicContact CZ-OE2 3.41Å; R129-E147 IonicContact NE-OE1 3.91Å; R129-E147 PolarHBondContact NE-OE1 3.21Å; R129-E147 IonicContact NE-OE2 2.74Å; R129-E147 PolarHBondContact NE-OE2 3.04Å; R129-E147 VanDerWaalsContact NE-OE2 3.14Å; R129-E147 IonicContact NH2-OE1 2.96Å; R129-E147 IonicContact NH2-OE2 3.23Å; R129-E147 PolarHBondContact NH2-OE2 3.12Å; P135-E147 WeakPolarHBondContact CA-O 3.45Å; I136-E147 HydrophobicContact CB-CB 4.36Å; I136-E147 PolarHBondContact N-O 3.04Å; I136-E147 PolarHBondContact O-N 3.36Å; Y138-E147 HydrophobicContact CE1-CB 4.27Å; E147-L149 VanDerWaalsContact C-N 3.27Å; E147-L149 PolarHBondContact O-N 2.92Å
148R81.3Confident73.5Confident109 Ų10985.4 Ų85.441%0.41144%0.435SS..SBendtrans60.325171.6-41.9-174.780.8-172.616.3115.8R129 I131R129-R148 PolarHBondContact O-NH1 3.22Å; I131-R148 PolarHBondContact O-NH1 3.32Å
149L78.6Confident72.4Confident17 Ų1787.4 Ų87.49%0.08945%0.448CS..  trans-97.2109.9165.9-173.865.8000108Y27 L54 P135 I146 E147 D151 A152Y27-L149 HydrophobicContact CE1-CD1 4.39Å; Y27-L149 HydrophobicContact CE1-CD2 4.42Å; L54-L149 HydrophobicContact CD2-CD2 3.59Å; P135-L149 HydrophobicContact CB-CB 4.12Å; P135-L149 HydrophobicContact CB-CD1 4.44Å; P135-L149 HydrophobicContact CG-CB 4.28Å; P135-L149 HydrophobicContact CG-CD1 3.81Å; I146-L149 HydrophobicContact CD1-CB 3.71Å; I146-L149 HydrophobicContact CD1-CD2 3.71Å; I146-L149 HydrophobicContact CD1-CG 4.25Å; I146-L149 HydrophobicContact CG1-CB 3.99Å; E147-L149 VanDerWaalsContact C-N 3.27Å; E147-L149 PolarHBondContact O-N 2.92Å; L149-D151 PolarHBondContact O-N 3.17Å; L149-A152 HydrophobicContact CB-CB 3.78Å; L149-A152 HydrophobicContact CD2-CB 3.94Å; L149-A152 HydrophobicContact CG-CB 4.01Å; L149-A152 WeakPolarHBondContact O-CB 3.33Å; L149-A152 PolarHBondContact O-N 3.19Å
150P68.6Low71.2Confident89 Ų8990.6 Ų90.658%0.57846%0.464SS*.THydrogen-bonded Turntrans-59.5-29.1-174.119-30.3000113.5Y19Y19-P150 HydrophobicContact CD2-CB 4.35Å; Y19-P150 HydrophobicContact CD2-CG 3.79Å; Y19-P150 HydrophobicContact CE2-CB 4.47Å; Y19-P150 HydrophobicContact CE2-CG 3.88Å
151D64.1Low70Confident78 Ų7893.1 Ų93.142%0.41747%0.472SS..THydrogen-bonded Turntrans-99.59.2-177.2-57.1-31.9000113.4Y19 L149 Y153Y19-D151 WeakPolarHBondContact CE2-OD2 3.5Å; Y19-D151 PolarHBondContact OH-OD2 3.26Å; L149-D151 PolarHBondContact O-N 3.17Å; D151-Y153 PolarHBondContact O-N 2.75Å
152A56.9Low68.8Low25 Ų2590.1 Ų90.121%0.20746%0.455CS..  trans-80.4106.1-17800000112.7I146 L149 G154I146-A152 HydrophobicContact CG2-CB 3.59Å; L149-A152 HydrophobicContact CB-CB 3.78Å; L149-A152 HydrophobicContact CD2-CB 3.94Å; L149-A152 HydrophobicContact CG-CB 4.01Å; L149-A152 WeakPolarHBondContact O-CB 3.33Å; L149-A152 PolarHBondContact O-N 3.19Å; A152-G154 PolarHBondContact O-N 3.07Å
153Y53.9Low67.4Low224 Ų22487.4 Ų87.488%0.87845%0.445SS*.THydrogen-bonded Turntrans-65.522.6171.8-76.6-87.6000115.5D151D151-Y153 PolarHBondContact O-N 2.75Å
154G47.5Very low65.7Low47 Ų4782.2 Ų82.249%0.48543%0.433SS..THydrogen-bonded Turntrans-148.26.3-171.900000117.2A152A152-G154 PolarHBondContact O-N 3.07Å
155A42.9Very low63.6Low48 Ų4887.1 Ų87.140%0.39746%0.46SS..  trans-76.2130.3173.700000110I146 K157I146-A155 WeakPolarHBondContact O-CB 3.43Å; A155-K157 PolarHBondContact O-N 3.22Å
156P37.3Very low61.2Low78 Ų7892.4 Ų92.451%0.50649%0.486SS..  trans-58.9126.4168.423.1-29.1000108.4T145 N158T145-P156 HydrophobicContact CG2-CG 4.33Å; P156-N158 PolarHBondContact O-N 2.85Å
157K41.3Very low58.6Low208 Ų20899.8 Ų99.890%0.90453%0.526SS*.  trans-69.1100.6165.4-67.1-177.2-179.2-179.10106A155A155-K157 PolarHBondContact O-N 3.22Å
158N40.8Very low55.7Low224 Ų224104.3 Ų104.3100%1.19855%0.552SS**  trans-70.50158.8-782.7000108.7P156P156-N158 PolarHBondContact O-N 2.85Å

Retrieved 158 of 158 residues in 336.5 ms (Link to these results)

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