G4VG38_SCHMA Loading...

Large ribosomal subunit protein uL6

AlphaFold DB , UniProt , Accession G4VG38, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 186 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
1M81.8Confident91.6Very high236 Ų23698.4 Ų98.4100%1.16350%0.504SS*.  01280-160.5174.6-163.700109
2K85.8Confident91.7Very high124 Ų12492.3 Ų92.354%0.53948%0.475SS..  trans-90.6136.6174.8-80.2176.2176.7-172.20109.1F58 N60K2-F58 HydrophobicContact CD-CB 4.38Å; K2-F58 WeakPolarHBondContact CD-O 3.39Å; K2-N60 WeakPolarHBondContact CE-OD1 3.42Å; K2-N60 WeakPolarHBondContact CG-OD1 3.45Å
3I89.3Confident91.7Very high86 Ų8690 Ų9044%0.44147%0.469SS..EExtended strand (participates in β ladder)trans-82.1126.5172.9-58.1-171.5000107.9K5 F58 G59 L64I3-K5 VanDerWaalsContact C-N 3.34Å; I3-K5 WeakPolarHBondContact CG2-O 3.39Å; I3-K5 PolarHBondContact O-N 2.99Å; I3-F58 CarbonylContact O-C 3.56Å; I3-F58 WeakPolarHBondContact O-CA 3.5Å; I3-F58 PolarHBondContact O-N 2.96Å; I3-F58 VanDerWaalsContact O-N 3.13Å; I3-G59 PolarHBondContact N-O 2.8Å; I3-G59 VanDerWaalsContact N-O 3.15Å; I3-G59 PolarHBondContact O-N 3.43Å; I3-G59 VanDerWaalsContact O-N 3.1Å; I3-L64 HydrophobicContact CB-CD1 4.1Å; I3-L64 HydrophobicContact CB-CD2 4.29Å; I3-L64 HydrophobicContact CD1-CD1 3.4Å; I3-L64 VanDerWaalsContact CD1-CD1 3.4Å; I3-L64 HydrophobicContact CG1-CD1 3.74Å
4I91.5Very high91.6Very high118 Ų11897.6 Ų97.661%0.60550%0.501SS*.EExtended strand (participates in β ladder)trans-59.7-46-174.9-62.9173.7000110.8F57 F58I4-F57 VanDerWaalsContact O-CA 3.27Å; I4-F57 WeakPolarHBondContact O-CA 3.29Å; I4-F58 HydrophobicContact CG1-CE1 4.45Å; I4-F58 HydrophobicContact CG2-CE1 4.19Å; I4-F58 HydrophobicContact CG2-CZ 4.45Å; I4-F58 PolarHBondContact O-N 3.42Å
5K92.8Very high91.4Very high124 Ų12496 Ų9654%0.53952%0.519SS..EExtended strand (participates in β ladder)trans-146.9130178.8-177.7-176.1175.7-1740109.6I3 T55 F57I3-K5 VanDerWaalsContact C-N 3.34Å; I3-K5 WeakPolarHBondContact CG2-O 3.39Å; I3-K5 PolarHBondContact O-N 2.99Å; K5-T55 HydrophobicContact CD-CG2 4.44Å; K5-T55 HydrophobicContact CG-CG2 3.82Å; K5-F57 HydrophobicContact CB-CD1 4.22Å; K5-F57 HydrophobicContact CB-CE1 4.25Å; K5-F57 HydrophobicContact CD-CE1 4.08Å; K5-F57 HydrophobicContact CG-CD1 4.29Å; K5-F57 HydrophobicContact CG-CE1 3.95Å
6S92.4Very high91.5Very high32 Ų3291.1 Ų91.122%0.22449%0.492CS..EExtended strand (participates in β ladder)trans-130.1134.9166.1177.60000108.7T55 K56S6-T55 CarbonylContact O-C 3.6Å; S6-T55 WeakPolarHBondContact O-CA 3.39Å; S6-K56 PolarHBondContact N-O 3.29Å; S6-K56 PolarHBondContact O-N 3.09Å
7S94.1Very high91.6Very high55 Ų5595.4 Ų95.439%0.38551%0.505SS..EExtended strand (participates in β ladder)trans-138.7136.2-177.655.40000110.7V54S7-V54 VanDerWaalsContact CA-O 3.23Å; S7-V54 WeakPolarHBondContact CA-O 3.42Å
8E95Very high91.8Very high94 Ų9491.4 Ų91.444%0.43949%0.485SS..EExtended strand (participates in β ladder)trans-120.4156171.4-71.1-72.3179.400109.2V54 V67 C71E8-V54 PolarHBondContact N-O 3.17Å; E8-V54 PolarHBondContact O-N 3.33Å; E8-V67 HydrophobicContact CB-CG1 3.78Å; E8-V67 HydrophobicContact CG-CG1 3.77Å; E8-C71 VanDerWaalsContact CB-SG 3.5Å
9T95.3Very high92Very high72 Ų7293.5 Ų93.544%0.44249%0.489SS..EExtended strand (participates in β ladder)trans-125.6140.9-176.867.30000112.1I52 V53T9-I52 CarbonylContact C-O 3.53Å; T9-I52 VanDerWaalsContact CA-O 3.24Å; T9-I52 WeakPolarHBondContact CA-O 3.28Å; T9-V53 HydrophobicContact CG2-CB 4.47Å; T9-V53 HydrophobicContact CG2-CG1 4.32Å; T9-V53 HydrophobicContact CG2-CG2 3.88Å
10V94.9Very high92.1Very high17 Ų1790.2 Ų90.210%0.10348%0.476CS..EExtended strand (participates in β ladder)trans-116.1123.8173.2-176.90000108.6R51 I52 C71 I74 I78V10-R51 CarbonylContact O-C 3.6Å; V10-R51 VanDerWaalsContact O-CA 3.26Å; V10-R51 WeakPolarHBondContact O-CA 2.93Å; V10-I52 HydrophobicContact CB-CB 4.45Å; V10-I52 PolarHBondContact N-O 3.25Å; V10-I52 PolarHBondContact O-N 3.46Å; V10-C71 HydrophobicContact CG2-CB 3.5Å; V10-I74 HydrophobicContact CB-CG2 4.46Å; V10-I74 HydrophobicContact CG1-CG2 4.14Å; V10-I78 HydrophobicContact CG1-CD1 3.98Å
11N94.7Very high92.1Very high124 Ų12489.5 Ų89.566%0.66347%0.472SS*.EExtended strand (participates in β ladder)trans-74.1136.1175.8-67.9-29.2000110.3
12V93.3Very high92.6Very high26 Ų2687.3 Ų87.316%0.15846%0.456CS..PPolyproline II helixtrans-100.3118177.5-176.50000108.5I16 V18 K50 I52V12-I16 HydrophobicContact CG1-CB 4.28Å; V12-I16 HydrophobicContact CG1-CG2 4.42Å; V12-V18 HydrophobicContact CG1-CG2 3.94Å; V12-V18 HydrophobicContact CG2-CG2 4.2Å; V12-K50 PolarHBondContact N-O 2.84Å; V12-I52 HydrophobicContact CG2-CD1 3.69Å; V12-I52 HydrophobicContact CG2-CG1 3.74Å
13P91.8Very high93Very high62 Ų6285.9 Ų85.940%0.40345%0.447SS..PPolyproline II helixtrans-62.2161.8175-16.426.3000112.5I16 I78P13-I16 HydrophobicContact CB-CD1 3.84Å; P13-I16 HydrophobicContact CG-CD1 3.66Å; P13-I78 HydrophobicContact CG-CG2 3.68Å
14Q89.7Confident93.3Very high196 Ų19683 Ų8392%0.91643%0.433SS*.THydrogen-bonded Turntrans-63.5149.4172.2-63.2-175.7500111.2I16Q14-I16 PolarHBondContact O-N 2.92Å
15G87.9Confident93.5Very high74 Ų7477.4 Ų77.476%0.76341%0.405SS*.THydrogen-bonded Turntrans80.3-8.1-179.800000115.5
16I93.7Very high93.7Very high17 Ų1775.3 Ų75.39%0.08739%0.394CS..  trans-103.1127.5-178.5-58.8173.5000109.9V12 P13 Q14 V18 V27 I78 V81 T82V12-I16 HydrophobicContact CG1-CB 4.28Å; V12-I16 HydrophobicContact CG1-CG2 4.42Å; P13-I16 HydrophobicContact CB-CD1 3.84Å; P13-I16 HydrophobicContact CG-CD1 3.66Å; Q14-I16 PolarHBondContact O-N 2.92Å; I16-V18 HydrophobicContact CG2-CG2 4.08Å; I16-V27 HydrophobicContact CG2-CG1 3.79Å; I16-I78 HydrophobicContact CD1-CG2 3.58Å; I16-V81 HydrophobicContact CG2-CG2 4.29Å; I16-T82 WeakPolarHBondContact CD1-OG1 3.42Å
17K93.9Very high93.9Very high164 Ų16473.8 Ų73.871%0.71338%0.383SS*.EExtended strand (participates in β ladder)trans-101.4117.5177.4-65.3-179.3-178.7178.10109.2K28K17-K28 HydrophobicContact CB-CB 4.37Å; K17-K28 PolarHBondContact N-O 2.83Å; K17-K28 PolarHBondContact O-N 3.13Å
18V95.3Very high94Very high24 Ų2477.4 Ų77.415%0.14539%0.392CS..EExtended strand (participates in β ladder)trans-111.6133.9174.7-172.90000110V12 I16 V25 Y26 V27 V47 I52V12-V18 HydrophobicContact CG1-CG2 3.94Å; V12-V18 HydrophobicContact CG2-CG2 4.2Å; I16-V18 HydrophobicContact CG2-CG2 4.08Å; V18-V25 HydrophobicContact CG1-CG1 3.97Å; V18-Y26 CarbonylContact C-O 3.58Å; V18-Y26 WeakPolarHBondContact CA-O 3.24Å; V18-V27 HydrophobicContact CG1-CG2 4.14Å; V18-V27 HydrophobicContact CG2-CG1 4.24Å; V18-V27 HydrophobicContact CG2-CG2 4.17Å; V18-V47 HydrophobicContact CG1-CG2 4.44Å; V18-I52 HydrophobicContact CB-CD1 4.1Å; V18-I52 HydrophobicContact CG1-CD1 3.61Å; V18-I52 HydrophobicContact CG1-CG1 4.29Å; V18-I52 HydrophobicContact CG2-CD1 4.12Å
19K94.6Very high93.9Very high131 Ų13173.8 Ų73.857%0.5738%0.38SS*.EExtended strand (participates in β ladder)trans-129.2130.6173.9-174180-174.5-179.20108.7I21 Y26K19-I21 HydrophobicContact CD-CD1 4.16Å; K19-I21 HydrophobicContact CD-CG1 4.21Å; K19-I21 HydrophobicContact CG-CG1 4.16Å; K19-Y26 PolarHBondContact N-O 2.96Å; K19-Y26 PolarHBondContact O-N 2.82Å
20A93.6Very high93.8Very high27 Ų2774.9 Ų74.922%0.22339%0.389CS..EExtended strand (participates in β ladder)trans-112.3126.9169.200000109V24 V25 I45 V47A20-V24 WeakPolarHBondContact CA-O 3.1Å; A20-V25 HydrophobicContact CB-CG2 4.5Å; A20-I45 HydrophobicContact CB-CB 4.46Å; A20-I45 HydrophobicContact CB-CG2 3.92Å; A20-V47 HydrophobicContact CB-CG2 3.56Å
21I93.1Very high93.6Very high77 Ų7777.8 Ų77.840%0.39540%0.397SS..EExtended strand (participates in β ladder)trans-118.7114.8172.7-53.9175.7000106.2K19 R23 V24 Y26K19-I21 HydrophobicContact CD-CD1 4.16Å; K19-I21 HydrophobicContact CD-CG1 4.21Å; K19-I21 HydrophobicContact CG-CG1 4.16Å; I21-R23 PolarHBondContact O-N 2.92Å; I21-V24 PolarHBondContact N-O 2.85Å; I21-V24 PolarHBondContact O-N 2.85Å; I21-Y26 HydrophobicContact CD1-CE2 4.15Å; I21-Y26 HydrophobicContact CG1-CE2 4.38Å
22K91.5Very high93.5Very high190 Ų19073.3 Ų73.383%0.82638%0.381SS*.THydrogen-bonded Turntrans55.1-111.4-168.8-56.9177.6178.9-179.90109.8
23R94.3Very high93.6Very high93 Ų9376 Ų7635%0.35140%0.401SS..THydrogen-bonded Turntrans-115.215.1178.3-71.8171.9-911622112.7I21 F38 G39 L41 L43I21-R23 PolarHBondContact O-N 2.92Å; R23-F38 HydrophobicContact CB-CB 4.49Å; R23-F38 WeakPolarHBondContact O-CB 3.08Å; R23-F38 PolarHBondContact O-N 2.81Å; R23-G39 PolarHBondContact NH1-O 3Å; R23-L41 WeakPolarHBondContact CD-O 3.43Å; R23-L41 PolarHBondContact NH1-O 3.23Å; R23-L43 VanDerWaalsContact CD-O 3.3Å; R23-L43 WeakPolarHBondContact CD-O 3.44Å; R23-L43 WeakPolarHBondContact CG-O 3.3Å
24V96.3Very high93.9Very high25 Ų2574.1 Ų74.115%0.15239%0.387CS..EExtended strand (participates in β ladder)trans-100.3121.7175.2-171.50000108.7A20 I21 Y26 K35 R36 D37A20-V24 WeakPolarHBondContact CA-O 3.1Å; I21-V24 PolarHBondContact N-O 2.85Å; I21-V24 PolarHBondContact O-N 2.85Å; V24-Y26 HydrophobicContact CB-CE2 3.98Å; V24-Y26 HydrophobicContact CG1-CD2 4.22Å; V24-Y26 HydrophobicContact CG1-CE2 3.49Å; V24-Y26 VanDerWaalsContact CG1-CE2 3.49Å; V24-K35 HydrophobicContact CG1-CG 4.02Å; V24-R36 WeakPolarHBondContact CA-O 3.26Å; V24-D37 HydrophobicContact CG2-CB 4.38Å
25V96.5Very high94.2Very high1 Ų171.3 Ų71.31%0.00637%0.372CS..EExtended strand (participates in β ladder)trans-102131.6-180-178.20000109.4V18 A20 V27 K35 R36 F38 I45 I74V18-V25 HydrophobicContact CG1-CG1 3.97Å; A20-V25 HydrophobicContact CB-CG2 4.5Å; V25-V27 HydrophobicContact CG1-CG2 3.97Å; V25-K35 WeakPolarHBondContact O-CA 3.14Å; V25-R36 PolarHBondContact N-O 2.94Å; V25-R36 PolarHBondContact O-N 2.91Å; V25-F38 HydrophobicContact CB-CE2 4.25Å; V25-F38 HydrophobicContact CG2-CD2 3.99Å; V25-F38 HydrophobicContact CG2-CE2 3.9Å; V25-I45 HydrophobicContact CG2-CD1 3.85Å; V25-I45 HydrophobicContact CG2-CG2 4.24Å; V25-I74 HydrophobicContact CG1-CG1 4.4Å; V25-I74 HydrophobicContact CG2-CD1 4.23Å; V25-I74 HydrophobicContact CG2-CG1 4.45Å
26Y97Very high94.6Very high80 Ų8070.1 Ų70.131%0.31434%0.344SS..EExtended strand (participates in β ladder)trans-117.7125.9174.5-61-97.8000108.2V18 K19 I21 V24 L34 K35V18-Y26 CarbonylContact C-O 3.58Å; V18-Y26 WeakPolarHBondContact CA-O 3.24Å; K19-Y26 PolarHBondContact N-O 2.96Å; K19-Y26 PolarHBondContact O-N 2.82Å; I21-Y26 HydrophobicContact CD1-CE2 4.15Å; I21-Y26 HydrophobicContact CG1-CE2 4.38Å; V24-Y26 HydrophobicContact CB-CE2 3.98Å; V24-Y26 HydrophobicContact CG1-CD2 4.22Å; V24-Y26 HydrophobicContact CG1-CE2 3.49Å; V24-Y26 VanDerWaalsContact CG1-CE2 3.49Å; Y26-L34 WeakPolarHBondContact CA-O 3.4Å; Y26-K35 HydrophobicContact CD1-CB 4.09Å; Y26-K35 HydrophobicContact CD1-CD 4.41Å; Y26-K35 HydrophobicContact CD1-CG 3.93Å; Y26-K35 HydrophobicContact CE1-CB 4.19Å; Y26-K35 HydrophobicContact CE1-CD 3.66Å; Y26-K35 HydrophobicContact CE1-CG 3.62Å; Y26-K35 WeakPolarHBondContact OH-CE 3.49Å
27V96.6Very high94.7Very high0 Ų073.8 Ų73.80%036%0.364CS..EExtended strand (participates in β ladder)trans-121.4127178.2-178.40000107.7I16 V18 V25 S33 L34 M77 I78 V81I16-V27 HydrophobicContact CG2-CG1 3.79Å; V18-V27 HydrophobicContact CG1-CG2 4.14Å; V18-V27 HydrophobicContact CG2-CG1 4.24Å; V18-V27 HydrophobicContact CG2-CG2 4.17Å; V25-V27 HydrophobicContact CG1-CG2 3.97Å; V27-S33 CarbonylContact O-C 3.52Å; V27-S33 VanDerWaalsContact O-CA 3.26Å; V27-S33 WeakPolarHBondContact O-CA 3.36Å; V27-L34 PolarHBondContact N-O 3.1Å; V27-L34 PolarHBondContact O-N 3.11Å; V27-M77 HydrophobicContact CB-CB 4.3Å; V27-M77 HydrophobicContact CB-CE 4.28Å; V27-M77 HydrophobicContact CG2-CB 3.9Å; V27-M77 HydrophobicContact CG2-CE 3.84Å; V27-M77 HydrophobicContact CG2-SD 4.39Å; V27-I78 HydrophobicContact CG1-CG1 4.22Å; V27-V81 HydrophobicContact CG1-CG1 4.2Å; V27-V81 HydrophobicContact CG1-CG2 3.6Å
28K95.6Very high94.7Very high132 Ų13266.1 Ų66.157%0.57433%0.331SS*.EExtended strand (participates in β ladder)trans-120.1131.8174-63.9-168173.8-173.20109.4K17K17-K28 HydrophobicContact CB-CB 4.37Å; K17-K28 PolarHBondContact N-O 2.83Å; K17-K28 PolarHBondContact O-N 3.13Å
29G93.1Very high94.6Very high17 Ų1766.5 Ų66.518%0.17534%0.339CS..EExtended strand (participates in β ladder)trans-145-169.5176.300000111R31 G32G29-R31 VanDerWaalsContact C-N 3.35Å; G29-R31 PolarHBondContact O-N 3.31Å; G29-G32 PolarHBondContact N-O 3.15Å; G29-G32 PolarHBondContact O-N 2.88Å
30P92.6Very high94.5Very high96 Ų9667.3 Ų67.362%0.62335%0.345SS*.THydrogen-bonded Turntrans-61.2-38.2-174.623.1-33.4000113.3G32 V81P30-G32 VanDerWaalsContact C-N 3.28Å; P30-G32 PolarHBondContact O-N 2.81Å; P30-V81 VanDerWaalsContact CD-O 3.29Å; P30-V81 WeakPolarHBondContact CD-O 3.38Å; P30-V81 WeakPolarHBondContact CG-O 3.23Å
31R91.6Very high94.4Very high77 Ų7767.9 Ų67.929%0.29134%0.344SS..THydrogen-bonded Turntrans-79.8-5.9-179.7-59.7-178.36795.71.8114.5G29 V81 T82 S83 N145 E184 A185G29-R31 VanDerWaalsContact C-N 3.35Å; G29-R31 PolarHBondContact O-N 3.31Å; R31-V81 VanDerWaalsContact CB-O 3.3Å; R31-V81 WeakPolarHBondContact CB-O 3.27Å; R31-V81 WeakPolarHBondContact CG-O 3.47Å; R31-V81 PolarHBondContact N-O 2.87Å; R31-T82 WeakPolarHBondContact CD-O 3.02Å; R31-S83 WeakPolarHBondContact CD-O 3.46Å; R31-S83 PolarHBondContact NE-O 3.37Å; R31-S83 PolarHBondContact NH1-O 2.88Å; R31-S83 VanDerWaalsContact NH1-O 3.07Å; R31-N145 PolarHBondContact NE-OD1 3.33Å; R31-N145 VanDerWaalsContact NE-OD1 3.14Å; R31-N145 PolarHBondContact O-ND2 2.91Å; R31-E184 PolarHBondContact NH1-O 3.46Å; R31-A185 HydrophobicContact CG-CB 3.83Å
32G92.7Very high94.3Very high31 Ų3168.2 Ų68.232%0.3235%0.353SS..EExtended strand (participates in β ladder)trans131.7-150.1179.700000113.9G29 P30G29-G32 PolarHBondContact N-O 3.15Å; G29-G32 PolarHBondContact O-N 2.88Å; P30-G32 VanDerWaalsContact C-N 3.28Å; P30-G32 PolarHBondContact O-N 2.81Å
33S95.2Very high94.4Very high81 Ų8160 Ų6057%0.56632%0.318SS*.EExtended strand (participates in β ladder)trans-129.4139.3-172.964.70000113.2V27V27-S33 CarbonylContact O-C 3.52Å; V27-S33 VanDerWaalsContact O-CA 3.26Å; V27-S33 WeakPolarHBondContact O-CA 3.36Å
34L96.6Very high94.4Very high23 Ų2358.2 Ų58.212%0.1232%0.316CS..EExtended strand (participates in β ladder)trans-119144.9172.9-66175.7000110.5Y26 V27 M77 V81 N145 D146Y26-L34 WeakPolarHBondContact CA-O 3.4Å; V27-L34 PolarHBondContact N-O 3.1Å; V27-L34 PolarHBondContact O-N 3.11Å; L34-M77 HydrophobicContact CB-CE 3.75Å; L34-M77 HydrophobicContact CB-CG 4.49Å; L34-M77 HydrophobicContact CD1-CB 4.2Å; L34-M77 HydrophobicContact CD1-CG 4.37Å; L34-V81 HydrophobicContact CB-CG1 4.32Å; L34-V81 HydrophobicContact CD1-CG1 3.94Å; L34-V81 HydrophobicContact CG-CG1 3.84Å; L34-N145 HydrophobicContact CD1-CB 4.49Å; L34-N145 HydrophobicContact CD2-CB 4.22Å; L34-D146 HydrophobicContact CD2-CB 4Å
35K96.2Very high94.3Very high137 Ų13757.4 Ų57.460%0.59631%0.311SS*.EExtended strand (participates in β ladder)trans-126.3133.5176176.9-170177-170.80108.4V24 V25 Y26V24-K35 HydrophobicContact CG1-CG 4.02Å; V25-K35 WeakPolarHBondContact O-CA 3.14Å; Y26-K35 HydrophobicContact CD1-CB 4.09Å; Y26-K35 HydrophobicContact CD1-CD 4.41Å; Y26-K35 HydrophobicContact CD1-CG 3.93Å; Y26-K35 HydrophobicContact CE1-CB 4.19Å; Y26-K35 HydrophobicContact CE1-CD 3.66Å; Y26-K35 HydrophobicContact CE1-CG 3.62Å; Y26-K35 WeakPolarHBondContact OH-CE 3.49Å
36R96Very high94.3Very high49 Ų4962.7 Ų62.719%0.18533%0.333CS..EExtended strand (participates in β ladder)trans-140137.1173.7-172.9166.3-178.6148.16.1112.2V24 V25 F38 H73 M77 E148V24-R36 WeakPolarHBondContact CA-O 3.26Å; V25-R36 PolarHBondContact N-O 2.94Å; V25-R36 PolarHBondContact O-N 2.91Å; R36-F38 HydrophobicContact CB-CE2 4.22Å; R36-F38 HydrophobicContact CB-CZ 4.4Å; R36-F38 HydrophobicContact CG-CE1 4.14Å; R36-F38 HydrophobicContact CG-CE2 3.95Å; R36-F38 HydrophobicContact CG-CZ 3.76Å; R36-H73 VanDerWaalsContact CZ-ND1 3.33Å; R36-H73 VanDerWaalsContact NH1-CG 3.26Å; R36-H73 PolarHBondContact NH1-ND1 3.3Å; R36-H73 PolarHBondContact NH2-CD2 2.9Å; R36-H73 PolarHBondContact NH2-CE1 2.93Å; R36-H73 PolarHBondContact NH2-ND1 2.89Å; R36-H73 PolarHBondContact NH2-NE2 3.33Å; R36-M77 HydrophobicContact CB-CE 3.77Å; R36-M77 HydrophobicContact CB-SD 3.55Å; R36-M77 VanDerWaalsContact CB-SD 3.55Å; R36-M77 HydrophobicContact CG-SD 4.48Å; R36-E148 VanDerWaalsContact CZ-CD 3.45Å; R36-E148 IonicContact CZ-OE1 2.85Å; R36-E148 IonicContact CZ-OE2 3.78Å; R36-E148 IonicContact NH1-OE1 3.34Å; R36-E148 PolarHBondContact NH1-OE1 3.39Å; R36-E148 IonicContact NH1-OE2 3.97Å; R36-E148 PolarHBondContact NH1-OE2 3.04Å; R36-E148 VanDerWaalsContact NH2-CD 3.28Å; R36-E148 IonicContact NH2-OE1 3.13Å; R36-E148 PolarHBondContact NH2-OE1 3.24Å; R36-E148 IonicContact NH2-OE2 2.65Å; R36-E148 PolarHBondContact NH2-OE2 2.82Å; R36-E148 VanDerWaalsContact NH2-OE2 3.12Å
37D96Very high94.1Very high95 Ų9561.7 Ų61.751%0.50834%0.335SS..EExtended strand (participates in β ladder)trans-102.9123.4179.5-169.1-2.8000111.3V24 G39V24-D37 HydrophobicContact CG2-CB 4.38Å; D37-G39 WeakPolarHBondContact OD1-CA 3.08Å; D37-G39 PolarHBondContact OD1-N 3.43Å
38F95.3Very high93.8Very high3 Ų366.8 Ų66.81%0.01336%0.358CS..  trans-110.921173.1-57.2-77.8000112.1R23 V25 R36 H40 L41 I45 V70 H73 I74R23-F38 HydrophobicContact CB-CB 4.49Å; R23-F38 WeakPolarHBondContact O-CB 3.08Å; R23-F38 PolarHBondContact O-N 2.81Å; V25-F38 HydrophobicContact CB-CE2 4.25Å; V25-F38 HydrophobicContact CG2-CD2 3.99Å; V25-F38 HydrophobicContact CG2-CE2 3.9Å; R36-F38 HydrophobicContact CB-CE2 4.22Å; R36-F38 HydrophobicContact CB-CZ 4.4Å; R36-F38 HydrophobicContact CG-CE1 4.14Å; R36-F38 HydrophobicContact CG-CE2 3.95Å; R36-F38 HydrophobicContact CG-CZ 3.76Å; F38-H40 PolarHBondContact O-N 3.3Å; F38-H40 VanDerWaalsContact O-N 3.12Å; F38-L41 HydrophobicContact CD1-CD1 4.29Å; F38-L41 PolarHBondContact O-N 3.22Å; F38-I45 HydrophobicContact CB-CD1 4.46Å; F38-I45 HydrophobicContact CD2-CD1 4.03Å; F38-V70 HydrophobicContact CD1-CB 4.48Å; F38-V70 HydrophobicContact CD1-CG1 4.28Å; F38-V70 HydrophobicContact CD1-CG2 3.67Å; F38-V70 HydrophobicContact CD2-CG1 4.18Å; F38-V70 HydrophobicContact CE1-CB 4.34Å; F38-V70 HydrophobicContact CE1-CG1 4.16Å; F38-V70 HydrophobicContact CE1-CG2 3.91Å; F38-V70 HydrophobicContact CE2-CG1 4.06Å; F38-V70 HydrophobicContact CG-CG1 4.26Å; F38-V70 HydrophobicContact CG-CG2 4.16Å; F38-V70 HydrophobicContact CZ-CG1 4.03Å; F38-H73 HydrophobicContact CE1-CB 4.01Å; F38-H73 HydrophobicContact CZ-CB 3.76Å; F38-I74 HydrophobicContact CE2-CG1 4.3Å; F38-I74 HydrophobicContact CZ-CG1 4.48Å
39G92.4Very high93.3Very high31 Ų3166.6 Ų66.632%0.3237%0.373SS..THydrogen-bonded Turntrans-59.9-21.9-177.200000115R23 D37 L41R23-G39 PolarHBondContact NH1-O 3Å; D37-G39 WeakPolarHBondContact OD1-CA 3.08Å; D37-G39 PolarHBondContact OD1-N 3.43Å; G39-L41 VanDerWaalsContact C-N 3.27Å; G39-L41 PolarHBondContact O-N 3.49Å
40H92.7Very high93.1Very high148 Ų14873.9 Ų73.969%0.68540%0.4SS*.THydrogen-bonded Turntrans-73.3-17.7173.463.8-81.4000113.2F38F38-H40 PolarHBondContact O-N 3.3Å; F38-H40 VanDerWaalsContact O-N 3.12Å
41L92.2Very high93.1Very high40 Ų4076.1 Ų76.121%0.20940%0.396CS..SBendtrans-96.9129.5177.9-59.9174.4000110.1R23 F38 G39 L43 A66 V70R23-L41 WeakPolarHBondContact CD-O 3.43Å; R23-L41 PolarHBondContact NH1-O 3.23Å; F38-L41 HydrophobicContact CD1-CD1 4.29Å; F38-L41 PolarHBondContact O-N 3.22Å; G39-L41 VanDerWaalsContact C-N 3.27Å; G39-L41 PolarHBondContact O-N 3.49Å; L41-L43 HydrophobicContact CB-CD2 3.68Å; L41-L43 HydrophobicContact CB-CG 3.84Å; L41-L43 HydrophobicContact CD1-CD2 3.92Å; L41-L43 HydrophobicContact CG-CD2 4.42Å; L41-L43 PolarHBondContact O-N 3.11Å; L41-L43 VanDerWaalsContact O-N 3.07Å; L41-A66 HydrophobicContact CD1-CB 4.38Å; L41-A66 HydrophobicContact CD2-CB 4.18Å; L41-V70 HydrophobicContact CD1-CG2 3.44Å; L41-V70 VanDerWaalsContact CD1-CG2 3.44Å
42S90.7Very high93.2Very high84 Ų8472.4 Ų72.459%0.58738%0.382SS*.  trans-81.182.6172.9176.10000109.4K56S42-K56 WeakPolarHBondContact O-CD 3.35Å; S42-K56 WeakPolarHBondContact O-CE 3.39Å; S42-K56 PolarHBondContact O-NZ 3.48Å
43L93Very high93.4Very high16 Ų1672.1 Ų72.18%0.08437%0.374CS..  trans-147.4159.8178.154.877.9000111R23 L41 I45 V54 V70R23-L43 VanDerWaalsContact CD-O 3.3Å; R23-L43 WeakPolarHBondContact CD-O 3.44Å; R23-L43 WeakPolarHBondContact CG-O 3.3Å; L41-L43 HydrophobicContact CB-CD2 3.68Å; L41-L43 HydrophobicContact CB-CG 3.84Å; L41-L43 HydrophobicContact CD1-CD2 3.92Å; L41-L43 HydrophobicContact CG-CD2 4.42Å; L41-L43 PolarHBondContact O-N 3.11Å; L41-L43 VanDerWaalsContact O-N 3.07Å; L43-I45 HydrophobicContact CD1-CD1 3.75Å; L43-I45 HydrophobicContact CD1-CG1 3.44Å; L43-I45 VanDerWaalsContact CD1-CG1 3.44Å; L43-V54 HydrophobicContact CD1-CG1 4.03Å; L43-V54 HydrophobicContact CD2-CG1 4.16Å; L43-V54 HydrophobicContact CG-CG1 4.5Å; L43-V70 HydrophobicContact CD2-CB 4.4Å; L43-V70 HydrophobicContact CD2-CG2 3.63Å
44D94Very high93.4Very high56 Ų5668.3 Ų68.330%0.29935%0.347SS..EExtended strand (participates in β ladder)trans-104.1133.8179.3-173.624.1000109.9K46 V54 T55D44-K46 WeakPolarHBondContact OD2-CE 3.49Å; D44-K46 IonicContact OD2-NZ 3.56Å; D44-V54 CarbonylContact O-C 3.55Å; D44-V54 WeakPolarHBondContact O-CA 3.47Å; D44-T55 PolarHBondContact N-O 3.15Å; D44-T55 PolarHBondContact O-N 3.31Å
45I95.4Very high93.4Very high9 Ų967.7 Ų67.75%0.04634%0.344CS..EExtended strand (participates in β ladder)trans-122.8111.1-179.9-54.7179.2000108.2A20 V25 F38 L43 I52 V70A20-I45 HydrophobicContact CB-CB 4.46Å; A20-I45 HydrophobicContact CB-CG2 3.92Å; V25-I45 HydrophobicContact CG2-CD1 3.85Å; V25-I45 HydrophobicContact CG2-CG2 4.24Å; F38-I45 HydrophobicContact CB-CD1 4.46Å; F38-I45 HydrophobicContact CD2-CD1 4.03Å; L43-I45 HydrophobicContact CD1-CD1 3.75Å; L43-I45 HydrophobicContact CD1-CG1 3.44Å; L43-I45 VanDerWaalsContact CD1-CG1 3.44Å; I45-I52 HydrophobicContact CG2-CG2 3.81Å; I45-V70 HydrophobicContact CD1-CG1 4.15Å
46K94.7Very high93.3Very high111 Ų11161.8 Ų61.848%0.48332%0.319SS..EExtended strand (participates in β ladder)trans-112.5130.7177.8-68.9-176.2174.1167.70110.7D44 F48 I52 V53D44-K46 WeakPolarHBondContact OD2-CE 3.49Å; D44-K46 IonicContact OD2-NZ 3.56Å; K46-F48 HydrophobicContact CB-CE2 3.85Å; K46-F48 HydrophobicContact CB-CZ 4.28Å; K46-I52 CarbonylContact O-C 3.57Å; K46-I52 WeakPolarHBondContact O-CA 3.49Å; K46-V53 PolarHBondContact N-O 3.48Å; K46-V53 PolarHBondContact O-N 3.44Å
47V93.3Very high93.2Very high59 Ų5964.3 Ų64.336%0.35833%0.331SS..EExtended strand (participates in β ladder)trans-101.3121.6176.8-175.10000108.7V18 A20 I52V18-V47 HydrophobicContact CG1-CG2 4.44Å; A20-V47 HydrophobicContact CB-CG2 3.56Å; V47-I52 HydrophobicContact CG1-CG1 4.37Å; V47-I52 HydrophobicContact CG2-CG1 4.34Å
48F91.4Very high93.1Very high107 Ų10765.7 Ų65.747%0.46933%0.333SS..EExtended strand (participates in β ladder)trans-108.9165.9168.5-58-89.7000109K46 K50 R51 V53K46-F48 HydrophobicContact CB-CE2 3.85Å; K46-F48 HydrophobicContact CB-CZ 4.28Å; F48-K50 PolarHBondContact O-N 3.17Å; F48-R51 CarbonylContact C-O 3.58Å; F48-R51 WeakPolarHBondContact CA-O 3.36Å; F48-R51 HydrophobicContact CB-CG 4.18Å; F48-R51 WeakPolarHBondContact CB-O 3.4Å; F48-R51 PolarHBondContact N-O 2.8Å; F48-R51 PolarHBondContact O-N 3.23Å; F48-R51 VanDerWaalsContact O-O 3.09Å; F48-V53 HydrophobicContact CD2-CB 4.42Å; F48-V53 HydrophobicContact CD2-CG2 3.67Å; F48-V53 HydrophobicContact CE2-CB 3.97Å; F48-V53 HydrophobicContact CE2-CG2 3.5Å; F48-V53 VanDerWaalsContact CE2-CG2 3.5Å
49S83.3Confident92.8Very high129 Ų12965.6 Ų65.690%0.90233%0.333SS*.THydrogen-bonded Turntrans-54.3-30.5-170.2-44.20000115.5
50K89.5Confident92.8Very high170 Ų17067.7 Ų67.774%0.73934%0.337SS*.THydrogen-bonded Turntrans-122.8-5.1-179-65.1-174.5178.4-179.40114.5V12 F48V12-K50 PolarHBondContact N-O 2.84Å; F48-K50 PolarHBondContact O-N 3.17Å
51R93.7Very high92.7Very high142 Ų14271.5 Ų71.554%0.53635%0.345SS..EExtended strand (participates in β ladder)trans-152.8148-173.358.5-178.1160.6-173.3-6.5112.2V10 F48V10-R51 CarbonylContact O-C 3.6Å; V10-R51 VanDerWaalsContact O-CA 3.26Å; V10-R51 WeakPolarHBondContact O-CA 2.93Å; F48-R51 CarbonylContact C-O 3.58Å; F48-R51 WeakPolarHBondContact CA-O 3.36Å; F48-R51 HydrophobicContact CB-CG 4.18Å; F48-R51 WeakPolarHBondContact CB-O 3.4Å; F48-R51 PolarHBondContact N-O 2.8Å; F48-R51 PolarHBondContact O-N 3.23Å; F48-R51 VanDerWaalsContact O-O 3.09Å
52I94Very high92.6Very high0 Ų078.9 Ų78.90%038%0.375CS..EExtended strand (participates in β ladder)trans-106.1130.4172.7-57156.7000106.9T9 V10 V12 V18 I45 K46 V47 I74T9-I52 CarbonylContact C-O 3.53Å; T9-I52 VanDerWaalsContact CA-O 3.24Å; T9-I52 WeakPolarHBondContact CA-O 3.28Å; V10-I52 HydrophobicContact CB-CB 4.45Å; V10-I52 PolarHBondContact N-O 3.25Å; V10-I52 PolarHBondContact O-N 3.46Å; V12-I52 HydrophobicContact CG2-CD1 3.69Å; V12-I52 HydrophobicContact CG2-CG1 3.74Å; V18-I52 HydrophobicContact CB-CD1 4.1Å; V18-I52 HydrophobicContact CG1-CD1 3.61Å; V18-I52 HydrophobicContact CG1-CG1 4.29Å; V18-I52 HydrophobicContact CG2-CD1 4.12Å; I45-I52 HydrophobicContact CG2-CG2 3.81Å; K46-I52 CarbonylContact O-C 3.57Å; K46-I52 WeakPolarHBondContact O-CA 3.49Å; V47-I52 HydrophobicContact CG1-CG1 4.37Å; V47-I52 HydrophobicContact CG2-CG1 4.34Å; I52-I74 HydrophobicContact CD1-CG2 3.5Å; I52-I74 VanDerWaalsContact CD1-CG2 3.5Å; I52-I74 HydrophobicContact CG2-CD1 4.17Å
53V95.2Very high92.6Very high25 Ų2578.3 Ų78.315%0.15236%0.363CS..EExtended strand (participates in β ladder)trans-111.4119.9178.8-175.90000108.1T9 K46 F48T9-V53 HydrophobicContact CG2-CB 4.47Å; T9-V53 HydrophobicContact CG2-CG1 4.32Å; T9-V53 HydrophobicContact CG2-CG2 3.88Å; K46-V53 PolarHBondContact N-O 3.48Å; K46-V53 PolarHBondContact O-N 3.44Å; F48-V53 HydrophobicContact CD2-CB 4.42Å; F48-V53 HydrophobicContact CD2-CG2 3.67Å; F48-V53 HydrophobicContact CE2-CB 3.97Å; F48-V53 HydrophobicContact CE2-CG2 3.5Å; F48-V53 VanDerWaalsContact CE2-CG2 3.5Å
54V95.9Very high92.5Very high0 Ų079.1 Ų79.10%037%0.367CS..EExtended strand (participates in β ladder)trans-103.7120.9175.2-176.10000107.4S7 E8 L43 D44 V67 V70 I74S7-V54 VanDerWaalsContact CA-O 3.23Å; S7-V54 WeakPolarHBondContact CA-O 3.42Å; E8-V54 PolarHBondContact N-O 3.17Å; E8-V54 PolarHBondContact O-N 3.33Å; L43-V54 HydrophobicContact CD1-CG1 4.03Å; L43-V54 HydrophobicContact CD2-CG1 4.16Å; L43-V54 HydrophobicContact CG-CG1 4.5Å; D44-V54 CarbonylContact O-C 3.55Å; D44-V54 WeakPolarHBondContact O-CA 3.47Å; V54-V67 HydrophobicContact CB-CG1 4.18Å; V54-V67 HydrophobicContact CG1-CG1 4.02Å; V54-V67 WeakPolarHBondContact O-CG1 2.91Å; V54-V70 HydrophobicContact CG1-CB 4.26Å; V54-V70 HydrophobicContact CG1-CG1 4.12Å; V54-V70 HydrophobicContact CG2-CG1 3.99Å; V54-I74 HydrophobicContact CG2-CD1 4.15Å
55T95.5Very high92.4Very high10 Ų1079.1 Ų79.16%0.06138%0.375CS..EExtended strand (participates in β ladder)trans-123.2133.6-175-54.10000111.1K5 S6 D44 F57K5-T55 HydrophobicContact CD-CG2 4.44Å; K5-T55 HydrophobicContact CG-CG2 3.82Å; S6-T55 CarbonylContact O-C 3.6Å; S6-T55 WeakPolarHBondContact O-CA 3.39Å; D44-T55 PolarHBondContact N-O 3.15Å; D44-T55 PolarHBondContact O-N 3.31Å; T55-F57 HydrophobicContact CG2-CD2 4.19Å; T55-F57 HydrophobicContact CG2-CE1 4.32Å; T55-F57 HydrophobicContact CG2-CE2 3.69Å; T55-F57 HydrophobicContact CG2-CZ 3.77Å
56K94.7Very high92.3Very high14 Ų1479.5 Ų79.56%0.06138%0.38CS..EExtended strand (participates in β ladder)trans-114.5130.2167.9176.568.6179.2-1730109.1S6 S42 E63 V67S6-K56 PolarHBondContact N-O 3.29Å; S6-K56 PolarHBondContact O-N 3.09Å; S42-K56 WeakPolarHBondContact O-CD 3.35Å; S42-K56 WeakPolarHBondContact O-CE 3.39Å; S42-K56 PolarHBondContact O-NZ 3.48Å; K56-E63 VanDerWaalsContact CE-CD 3.48Å; K56-E63 WeakPolarHBondContact CE-OE1 3.33Å; K56-E63 WeakPolarHBondContact CE-OE2 3.2Å; K56-E63 IonicContact NZ-OE1 3.78Å; K56-E63 PolarHBondContact NZ-OE1 3.21Å; K56-E63 IonicContact NZ-OE2 2.71Å; K56-V67 HydrophobicContact CB-CG2 3.46Å; K56-V67 VanDerWaalsContact CB-CG2 3.46Å; K56-V67 HydrophobicContact CG-CG2 4.49Å
57F94.3Very high92.3Very high101 Ų10174.3 Ų74.344%0.44336%0.357SS..EExtended strand (participates in β ladder)trans-99.3144.6171.2-64.3-85.3000110.6I4 K5 T55 G59I4-F57 VanDerWaalsContact O-CA 3.27Å; I4-F57 WeakPolarHBondContact O-CA 3.29Å; K5-F57 HydrophobicContact CB-CD1 4.22Å; K5-F57 HydrophobicContact CB-CE1 4.25Å; K5-F57 HydrophobicContact CD-CE1 4.08Å; K5-F57 HydrophobicContact CG-CD1 4.29Å; K5-F57 HydrophobicContact CG-CE1 3.95Å; T55-F57 HydrophobicContact CG2-CD2 4.19Å; T55-F57 HydrophobicContact CG2-CE1 4.32Å; T55-F57 HydrophobicContact CG2-CE2 3.69Å; T55-F57 HydrophobicContact CG2-CZ 3.77Å; F57-G59 PolarHBondContact O-N 2.94Å; F57-G59 VanDerWaalsContact O-N 3.11Å
58F94Very high92.3Very high125 Ų12580.2 Ų80.255%0.54837%0.373SS..EExtended strand (participates in β ladder)trans49.538.1176.7-54.8-73.4000113.9K2 I3 I4K2-F58 HydrophobicContact CD-CB 4.38Å; K2-F58 WeakPolarHBondContact CD-O 3.39Å; I3-F58 CarbonylContact O-C 3.56Å; I3-F58 WeakPolarHBondContact O-CA 3.5Å; I3-F58 PolarHBondContact O-N 2.96Å; I3-F58 VanDerWaalsContact O-N 3.13Å; I4-F58 HydrophobicContact CG1-CE1 4.45Å; I4-F58 HydrophobicContact CG2-CE1 4.19Å; I4-F58 HydrophobicContact CG2-CZ 4.45Å; I4-F58 PolarHBondContact O-N 3.42Å
59G89.7Confident92.5Very high0 Ų078.4 Ų78.40%037%0.371CS..EExtended strand (participates in β ladder)trans-77.5135.4-173.900000112.9I3 F57 E63I3-G59 PolarHBondContact N-O 2.8Å; I3-G59 VanDerWaalsContact N-O 3.15Å; I3-G59 PolarHBondContact O-N 3.43Å; I3-G59 VanDerWaalsContact O-N 3.1Å; F57-G59 PolarHBondContact O-N 2.94Å; F57-G59 VanDerWaalsContact O-N 3.11Å; G59-E63 WeakPolarHBondContact CA-OE2 2.94Å
60N92.1Very high93.1Very high76 Ų7672.3 Ų72.341%0.40633%0.328SS..  trans-76.2162.9163.3-73.8-16000110.6K2 K62 E63 L64K2-N60 WeakPolarHBondContact CE-OD1 3.42Å; K2-N60 WeakPolarHBondContact CG-OD1 3.45Å; N60-K62 VanDerWaalsContact C-N 3.25Å; N60-K62 PolarHBondContact O-N 3.49Å; N60-K62 VanDerWaalsContact O-N 3.07Å; N60-E63 PolarHBondContact N-OE2 3.07Å; N60-E63 PolarHBondContact O-N 3.37Å; N60-L64 WeakPolarHBondContact O-CG 3.39Å; N60-L64 PolarHBondContact O-N 2.91Å
61R90.2Very high93.4Very high227 Ų22764.9 Ų64.986%0.85730%0.298SS*.Hα-helixtrans-46.7-43.4-179.4-171.1177.8179.6-178.10.7114.1A65R61-A65 PolarHBondContact O-N 2.83Å
62K89.3Confident93.6Very high195 Ų19561.1 Ų61.185%0.84829%0.293SS*.Hα-helixtrans-66.7-39.2178.2-68.3-175.2178.8-179.50113N60 A65N60-K62 VanDerWaalsContact C-N 3.25Å; N60-K62 PolarHBondContact O-N 3.49Å; N60-K62 VanDerWaalsContact O-N 3.07Å; K62-A65 PolarHBondContact O-N 2.85Å
63E90.7Very high93.7Very high73 Ų7362.9 Ų62.934%0.34130%0.301SS..Hα-helixtrans-74.8-32.9-179.9-58.6179.5111.100112K56 G59 N60 A65 A66K56-E63 VanDerWaalsContact CE-CD 3.48Å; K56-E63 WeakPolarHBondContact CE-OE1 3.33Å; K56-E63 WeakPolarHBondContact CE-OE2 3.2Å; K56-E63 IonicContact NZ-OE1 3.78Å; K56-E63 PolarHBondContact NZ-OE1 3.21Å; K56-E63 IonicContact NZ-OE2 2.71Å; G59-E63 WeakPolarHBondContact CA-OE2 2.94Å; N60-E63 PolarHBondContact N-OE2 3.07Å; N60-E63 PolarHBondContact O-N 3.37Å; E63-A65 VanDerWaalsContact C-N 3.27Å; E63-A65 PolarHBondContact O-N 2.91Å; E63-A66 VanDerWaalsContact O-CB 3.28Å; E63-A66 WeakPolarHBondContact O-CB 3.46Å; E63-A66 PolarHBondContact O-N 2.83Å; E63-A66 VanDerWaalsContact O-N 3.09Å
64L91.3Very high93.8Very high32 Ų3261.7 Ų61.717%0.16829%0.294CS..Hα-helixtrans-62.2-37.2174.7-66.4168.1000111.4I3 N60 A66 V67I3-L64 HydrophobicContact CB-CD1 4.1Å; I3-L64 HydrophobicContact CB-CD2 4.29Å; I3-L64 HydrophobicContact CD1-CD1 3.4Å; I3-L64 VanDerWaalsContact CD1-CD1 3.4Å; I3-L64 HydrophobicContact CG1-CD1 3.74Å; N60-L64 WeakPolarHBondContact O-CG 3.39Å; N60-L64 PolarHBondContact O-N 2.91Å; L64-A66 PolarHBondContact O-N 3.01Å; L64-V67 WeakPolarHBondContact O-CB 3.38Å; L64-V67 PolarHBondContact O-N 3.13Å
65A91.7Very high93.8Very high56 Ų5663 Ų6346%0.46331%0.307SS..Hα-helixtrans-61.4-32.1174.200000112.4R61 K62 E63 V67 R68 T69R61-A65 PolarHBondContact O-N 2.83Å; K62-A65 PolarHBondContact O-N 2.85Å; E63-A65 VanDerWaalsContact C-N 3.27Å; E63-A65 PolarHBondContact O-N 2.91Å; A65-V67 VanDerWaalsContact C-N 3.26Å; A65-V67 PolarHBondContact O-N 3.27Å; A65-R68 PolarHBondContact O-N 3.47Å; A65-T69 PolarHBondContact O-N 2.91Å; A65-T69 VanDerWaalsContact O-N 3.17Å; A65-T69 PolarHBondContact O-OG1 2.79Å
66A93.6Very high93.8Very high18 Ų1865.1 Ų65.115%0.14932%0.319CS..Hα-helixtrans-65.4-28178.300000112.8L41 E63 L64 R68 T69 V70L41-A66 HydrophobicContact CD1-CB 4.38Å; L41-A66 HydrophobicContact CD2-CB 4.18Å; E63-A66 VanDerWaalsContact O-CB 3.28Å; E63-A66 WeakPolarHBondContact O-CB 3.46Å; E63-A66 PolarHBondContact O-N 2.83Å; E63-A66 VanDerWaalsContact O-N 3.09Å; L64-A66 PolarHBondContact O-N 3.01Å; A66-R68 VanDerWaalsContact C-N 3.33Å; A66-R68 PolarHBondContact O-N 3.04Å; A66-T69 WeakPolarHBondContact O-CB 2.93Å; A66-T69 PolarHBondContact O-N 2.85Å; A66-V70 WeakPolarHBondContact O-CG2 3.24Å; A66-V70 PolarHBondContact O-N 2.93Å
67V94.7Very high93.9Very high1 Ų164.9 Ų64.91%0.00632%0.318CS..Hα-helixtrans-58.9-47175.1179.10000110.3E8 V54 K56 L64 A65 V70 C71E8-V67 HydrophobicContact CB-CG1 3.78Å; E8-V67 HydrophobicContact CG-CG1 3.77Å; V54-V67 HydrophobicContact CB-CG1 4.18Å; V54-V67 HydrophobicContact CG1-CG1 4.02Å; V54-V67 WeakPolarHBondContact O-CG1 2.91Å; K56-V67 HydrophobicContact CB-CG2 3.46Å; K56-V67 VanDerWaalsContact CB-CG2 3.46Å; K56-V67 HydrophobicContact CG-CG2 4.49Å; L64-V67 WeakPolarHBondContact O-CB 3.38Å; L64-V67 PolarHBondContact O-N 3.13Å; A65-V67 VanDerWaalsContact C-N 3.26Å; A65-V67 PolarHBondContact O-N 3.27Å; V67-V70 PolarHBondContact O-N 3.24Å; V67-C71 PolarHBondContact O-N 3.06Å; V67-C71 VanDerWaalsContact O-N 3.11Å; V67-C71 PolarHBondContact O-SG 2.8Å
68R94.5Very high94Very high184 Ų18460.6 Ų60.669%0.69430%0.299SS*.Hα-helixtrans-66.2-40176.5-172174.3178.8176.90.2111.7A65 A66 V70 C71 S72A65-R68 PolarHBondContact O-N 3.47Å; A66-R68 VanDerWaalsContact C-N 3.33Å; A66-R68 PolarHBondContact O-N 3.04Å; R68-V70 PolarHBondContact O-N 3.31Å; R68-C71 WeakPolarHBondContact O-CB 3.46Å; R68-C71 PolarHBondContact O-N 2.97Å; R68-S72 PolarHBondContact O-N 3.16Å; R68-S72 PolarHBondContact O-OG 3.34Å
69T95.2Very high94Very high69 Ų6959.2 Ų59.242%0.42329%0.293SS..Hα-helixtrans-59.5-45.7176.4-56.90000112A65 A66 C71 S72 H73A65-T69 PolarHBondContact O-N 2.91Å; A65-T69 VanDerWaalsContact O-N 3.17Å; A65-T69 PolarHBondContact O-OG1 2.79Å; A66-T69 WeakPolarHBondContact O-CB 2.93Å; A66-T69 PolarHBondContact O-N 2.85Å; T69-C71 PolarHBondContact O-N 3.02Å; T69-S72 PolarHBondContact O-N 2.95Å; T69-H73 WeakPolarHBondContact CG2-NE2 3.5Å; T69-H73 PolarHBondContact O-CD2 3.37Å; T69-H73 PolarHBondContact O-N 2.92Å
70V95.8Very high94.3Very high0 Ų059.2 Ų59.20%029%0.293CS..Hα-helixtrans-62.3-43.1175.6173.90000111.2F38 L41 L43 I45 V54 A66 V67 R68 S72 H73 I74F38-V70 HydrophobicContact CD1-CB 4.48Å; F38-V70 HydrophobicContact CD1-CG1 4.28Å; F38-V70 HydrophobicContact CD1-CG2 3.67Å; F38-V70 HydrophobicContact CD2-CG1 4.18Å; F38-V70 HydrophobicContact CE1-CB 4.34Å; F38-V70 HydrophobicContact CE1-CG1 4.16Å; F38-V70 HydrophobicContact CE1-CG2 3.91Å; F38-V70 HydrophobicContact CE2-CG1 4.06Å; F38-V70 HydrophobicContact CG-CG1 4.26Å; F38-V70 HydrophobicContact CG-CG2 4.16Å; F38-V70 HydrophobicContact CZ-CG1 4.03Å; L41-V70 HydrophobicContact CD1-CG2 3.44Å; L41-V70 VanDerWaalsContact CD1-CG2 3.44Å; L43-V70 HydrophobicContact CD2-CB 4.4Å; L43-V70 HydrophobicContact CD2-CG2 3.63Å; I45-V70 HydrophobicContact CD1-CG1 4.15Å; V54-V70 HydrophobicContact CG1-CB 4.26Å; V54-V70 HydrophobicContact CG1-CG1 4.12Å; V54-V70 HydrophobicContact CG2-CG1 3.99Å; A66-V70 WeakPolarHBondContact O-CG2 3.24Å; A66-V70 PolarHBondContact O-N 2.93Å; V67-V70 PolarHBondContact O-N 3.24Å; R68-V70 PolarHBondContact O-N 3.31Å; V70-S72 VanDerWaalsContact C-N 3.34Å; V70-S72 PolarHBondContact O-N 3.38Å; V70-H73 PolarHBondContact O-N 3.12Å; V70-I74 HydrophobicContact CG1-CD1 3.79Å; V70-I74 HydrophobicContact CG1-CG1 4.34Å; V70-I74 VanDerWaalsContact O-CG1 3.3Å; V70-I74 WeakPolarHBondContact O-CG1 3.3Å; V70-I74 PolarHBondContact O-N 2.93Å
71C95.9Very high94.4Very high15 Ų1555.6 Ų55.610%0.10127%0.274CS..Hα-helixtrans-59.4-44.1176.2-67.30000112.1E8 V10 V67 R68 T69 H73 I74 G75E8-C71 VanDerWaalsContact CB-SG 3.5Å; V10-C71 HydrophobicContact CG2-CB 3.5Å; V67-C71 PolarHBondContact O-N 3.06Å; V67-C71 VanDerWaalsContact O-N 3.11Å; V67-C71 PolarHBondContact O-SG 2.8Å; R68-C71 WeakPolarHBondContact O-CB 3.46Å; R68-C71 PolarHBondContact O-N 2.97Å; T69-C71 PolarHBondContact O-N 3.02Å; C71-H73 PolarHBondContact O-N 2.93Å; C71-I74 PolarHBondContact O-N 2.88Å; C71-G75 PolarHBondContact O-N 3.41Å
72S97Very high94.5Very high62 Ų6247.6 Ų47.643%0.43425%0.25SS..Hα-helixtrans-61.7-42.7175.4-62.90000112.3R68 T69 V70 G75 N76R68-S72 PolarHBondContact O-N 3.16Å; R68-S72 PolarHBondContact O-OG 3.34Å; T69-S72 PolarHBondContact O-N 2.95Å; V70-S72 VanDerWaalsContact C-N 3.34Å; V70-S72 PolarHBondContact O-N 3.38Å; S72-G75 PolarHBondContact O-N 3.26Å; S72-N76 WeakPolarHBondContact O-CB 3.3Å; S72-N76 VanDerWaalsContact O-CG 3.26Å; S72-N76 PolarHBondContact O-N 3.02Å; S72-N76 PolarHBondContact O-ND2 2.96Å
73H97.1Very high94.7Very high38 Ų3839 Ų3918%0.17622%0.215CC..Hα-helixtrans-65.1-40.2177.1-71.6-54.6000112.3R36 F38 T69 V70 C71 N76 M77 E148R36-H73 VanDerWaalsContact CZ-ND1 3.33Å; R36-H73 VanDerWaalsContact NH1-CG 3.26Å; R36-H73 PolarHBondContact NH1-ND1 3.3Å; R36-H73 PolarHBondContact NH2-CD2 2.9Å; R36-H73 PolarHBondContact NH2-CE1 2.93Å; R36-H73 PolarHBondContact NH2-ND1 2.89Å; R36-H73 PolarHBondContact NH2-NE2 3.33Å; F38-H73 HydrophobicContact CE1-CB 4.01Å; F38-H73 HydrophobicContact CZ-CB 3.76Å; T69-H73 WeakPolarHBondContact CG2-NE2 3.5Å; T69-H73 PolarHBondContact O-CD2 3.37Å; T69-H73 PolarHBondContact O-N 2.92Å; V70-H73 PolarHBondContact O-N 3.12Å; C71-H73 PolarHBondContact O-N 2.93Å; H73-N76 PolarHBondContact O-N 3.44Å; H73-M77 VanDerWaalsContact O-CG 3.3Å; H73-M77 WeakPolarHBondContact O-CG 3.48Å; H73-M77 PolarHBondContact O-N 2.91Å; H73-E148 IonicContact CE1-OE1 3.52Å; H73-E148 PolarHBondContact CE1-OE1 3.06Å; H73-E148 IonicContact ND1-OE1 3.87Å; H73-E148 PolarHBondContact ND1-OE1 3.4Å; H73-E148 VanDerWaalsContact ND1-OE1 3.08Å; H73-E148 IonicContact NE2-OE1 2.8Å
74I96Very high94.9Very high0 Ų035.6 Ų35.60%020%0.199CC..Hα-helixtrans-64.5-44174.5-66.4170.8000110.4V10 V25 F38 I52 V54 V70 C71 N76 M77 I78V10-I74 HydrophobicContact CB-CG2 4.46Å; V10-I74 HydrophobicContact CG1-CG2 4.14Å; V25-I74 HydrophobicContact CG1-CG1 4.4Å; V25-I74 HydrophobicContact CG2-CD1 4.23Å; V25-I74 HydrophobicContact CG2-CG1 4.45Å; F38-I74 HydrophobicContact CE2-CG1 4.3Å; F38-I74 HydrophobicContact CZ-CG1 4.48Å; I52-I74 HydrophobicContact CD1-CG2 3.5Å; I52-I74 VanDerWaalsContact CD1-CG2 3.5Å; I52-I74 HydrophobicContact CG2-CD1 4.17Å; V54-I74 HydrophobicContact CG2-CD1 4.15Å; V70-I74 HydrophobicContact CG1-CD1 3.79Å; V70-I74 HydrophobicContact CG1-CG1 4.34Å; V70-I74 VanDerWaalsContact O-CG1 3.3Å; V70-I74 WeakPolarHBondContact O-CG1 3.3Å; V70-I74 PolarHBondContact O-N 2.93Å; C71-I74 PolarHBondContact O-N 2.88Å; I74-N76 VanDerWaalsContact C-N 3.28Å; I74-N76 PolarHBondContact O-N 3.22Å; I74-M77 WeakPolarHBondContact O-CB 3.11Å; I74-M77 PolarHBondContact O-N 3.07Å; I74-M77 VanDerWaalsContact O-N 3.12Å; I74-I78 HydrophobicContact CG2-CD1 4.06Å; I74-I78 WeakPolarHBondContact O-CG1 3.36Å; I74-I78 PolarHBondContact O-N 2.77Å
75G96.2Very high95.1Very high27 Ų2734.4 Ų34.428%0.27819%0.192SC..Hα-helixtrans-58-40.6174.400000112.4C71 S72 I78 K79C71-G75 PolarHBondContact O-N 3.41Å; S72-G75 PolarHBondContact O-N 3.26Å; G75-I78 PolarHBondContact O-N 3.48Å; G75-K79 WeakPolarHBondContact O-CB 3.43Å; G75-K79 PolarHBondContact O-N 3.19Å
76N96.6Very high95.3Very high55 Ų5534.5 Ų34.529%0.29418%0.18SC..Hα-helixtrans-67.2-38.2174.4-71.5-21.9000112.7S72 H73 I74 G80 Y85 I147S72-N76 WeakPolarHBondContact O-CB 3.3Å; S72-N76 VanDerWaalsContact O-CG 3.26Å; S72-N76 PolarHBondContact O-N 3.02Å; S72-N76 PolarHBondContact O-ND2 2.96Å; H73-N76 PolarHBondContact O-N 3.44Å; I74-N76 VanDerWaalsContact C-N 3.28Å; I74-N76 PolarHBondContact O-N 3.22Å; N76-G80 WeakPolarHBondContact O-CA 3.41Å; N76-G80 PolarHBondContact O-N 3.38Å; N76-Y85 VanDerWaalsContact CA-OH 3.24Å; N76-Y85 WeakPolarHBondContact CA-OH 3.45Å; N76-Y85 PolarHBondContact O-OH 3Å; N76-I147 HydrophobicContact CB-CG2 3.82Å
77M96.7Very high95.5Very high8 Ų834.7 Ų34.74%0.03918%0.177CC..Hα-helixtrans-63.7-42.2174.2-69.2172.275.900111.6V27 L34 R36 H73 I74 G80 V81V27-M77 HydrophobicContact CB-CB 4.3Å; V27-M77 HydrophobicContact CB-CE 4.28Å; V27-M77 HydrophobicContact CG2-CB 3.9Å; V27-M77 HydrophobicContact CG2-CE 3.84Å; V27-M77 HydrophobicContact CG2-SD 4.39Å; L34-M77 HydrophobicContact CB-CE 3.75Å; L34-M77 HydrophobicContact CB-CG 4.49Å; L34-M77 HydrophobicContact CD1-CB 4.2Å; L34-M77 HydrophobicContact CD1-CG 4.37Å; R36-M77 HydrophobicContact CB-CE 3.77Å; R36-M77 HydrophobicContact CB-SD 3.55Å; R36-M77 VanDerWaalsContact CB-SD 3.55Å; R36-M77 HydrophobicContact CG-SD 4.48Å; H73-M77 VanDerWaalsContact O-CG 3.3Å; H73-M77 WeakPolarHBondContact O-CG 3.48Å; H73-M77 PolarHBondContact O-N 2.91Å; I74-M77 WeakPolarHBondContact O-CB 3.11Å; I74-M77 PolarHBondContact O-N 3.07Å; I74-M77 VanDerWaalsContact O-N 3.12Å; M77-G80 PolarHBondContact O-N 2.8Å; M77-V81 PolarHBondContact O-N 2.85Å
78I95.4Very high95.6Very high11 Ų1136.7 Ų36.76%0.05619%0.186CC..Hα-helixtrans-59.9-54.4176.2-70.6171.9000109.7V10 P13 I16 V27 I74 G75 G80 V81 T82V10-I78 HydrophobicContact CG1-CD1 3.98Å; P13-I78 HydrophobicContact CG-CG2 3.68Å; I16-I78 HydrophobicContact CD1-CG2 3.58Å; V27-I78 HydrophobicContact CG1-CG1 4.22Å; I74-I78 HydrophobicContact CG2-CD1 4.06Å; I74-I78 WeakPolarHBondContact O-CG1 3.36Å; I74-I78 PolarHBondContact O-N 2.77Å; G75-I78 PolarHBondContact O-N 3.48Å; I78-G80 VanDerWaalsContact C-N 3.26Å; I78-G80 PolarHBondContact O-N 3.38Å; I78-V81 WeakPolarHBondContact O-CG2 3.48Å; I78-V81 PolarHBondContact O-N 3.05Å; I78-T82 PolarHBondContact O-N 3.07Å; I78-T82 VanDerWaalsContact O-N 3.13Å; I78-T82 PolarHBondContact O-OG1 3.17Å
79K94.8Very high95.8Very high96 Ų9628 Ų2842%0.41715%0.153SC..Hα-helixtrans-59.1-39.2177.3-175.8172.4-178.3-177.30112G75 V81 T82 S83 G84 Y85 S182G75-K79 WeakPolarHBondContact O-CB 3.43Å; G75-K79 PolarHBondContact O-N 3.19Å; K79-V81 PolarHBondContact O-N 3.07Å; K79-T82 PolarHBondContact O-N 3.14Å; K79-S83 PolarHBondContact O-N 2.92Å; K79-S83 PolarHBondContact O-OG 2.95Å; K79-G84 PolarHBondContact O-N 3.06Å; K79-G84 VanDerWaalsContact O-N 3.16Å; K79-Y85 HydrophobicContact CD-CE1 4.19Å; K79-Y85 HydrophobicContact CG-CE1 4.38Å; K79-S182 WeakPolarHBondContact CE-OG 3.3Å; K79-S182 PolarHBondContact NZ-OG 2.97Å
80G95.2Very high95.8Very high0 Ų028.9 Ų28.90%015%0.151CC..Hα-helixtrans-61-39.8177.100000115N76 M77 I78 G84 Y85 N145N76-G80 WeakPolarHBondContact O-CA 3.41Å; N76-G80 PolarHBondContact O-N 3.38Å; M77-G80 PolarHBondContact O-N 2.8Å; I78-G80 VanDerWaalsContact C-N 3.26Å; I78-G80 PolarHBondContact O-N 3.38Å; G80-G84 VanDerWaalsContact O-CA 3.28Å; G80-G84 WeakPolarHBondContact O-CA 3.26Å; G80-G84 PolarHBondContact O-N 2.98Å; G80-Y85 VanDerWaalsContact CA-CE2 3.46Å; G80-N145 WeakPolarHBondContact CA-O 3.04Å
81V94.5Very high95.8Very high0 Ų029.4 Ų29.40%016%0.155CC..Hα-helixtrans-81.7-18.7176.6-61.30000113.6I16 V27 P30 R31 L34 M77 I78 K79I16-V81 HydrophobicContact CG2-CG2 4.29Å; V27-V81 HydrophobicContact CG1-CG1 4.2Å; V27-V81 HydrophobicContact CG1-CG2 3.6Å; P30-V81 VanDerWaalsContact CD-O 3.29Å; P30-V81 WeakPolarHBondContact CD-O 3.38Å; P30-V81 WeakPolarHBondContact CG-O 3.23Å; R31-V81 VanDerWaalsContact CB-O 3.3Å; R31-V81 WeakPolarHBondContact CB-O 3.27Å; R31-V81 WeakPolarHBondContact CG-O 3.47Å; R31-V81 PolarHBondContact N-O 2.87Å; L34-V81 HydrophobicContact CB-CG1 4.32Å; L34-V81 HydrophobicContact CD1-CG1 3.94Å; L34-V81 HydrophobicContact CG-CG1 3.84Å; M77-V81 PolarHBondContact O-N 2.85Å; I78-V81 WeakPolarHBondContact O-CG2 3.48Å; I78-V81 PolarHBondContact O-N 3.05Å; K79-V81 PolarHBondContact O-N 3.07Å
82T93.5Very high95.6Very high59 Ų5932.1 Ų32.136%0.36217%0.171SC..Hα-helixtrans-85.4-57.3176.9-55.50000111.1I16 R31 I78 K79I16-T82 WeakPolarHBondContact CD1-OG1 3.42Å; R31-T82 WeakPolarHBondContact CD-O 3.02Å; I78-T82 PolarHBondContact O-N 3.07Å; I78-T82 VanDerWaalsContact O-N 3.13Å; I78-T82 PolarHBondContact O-OG1 3.17Å; K79-T82 PolarHBondContact O-N 3.14Å
83S92.2Very high95.4Very high16 Ų1632.7 Ų32.711%0.11216%0.164CC..THydrogen-bonded Turntrans-109.8-45-17178.20000110R31 K79 I183R31-S83 WeakPolarHBondContact CD-O 3.46Å; R31-S83 PolarHBondContact NE-O 3.37Å; R31-S83 PolarHBondContact NH1-O 2.88Å; R31-S83 VanDerWaalsContact NH1-O 3.07Å; K79-S83 PolarHBondContact O-N 2.92Å; K79-S83 PolarHBondContact O-OG 2.95Å; S83-I183 CarbonylContact C-O 3.59Å; S83-I183 WeakPolarHBondContact CA-O 3.28Å; S83-I183 WeakPolarHBondContact CB-O 3.22Å; S83-I183 CarbonylContact O-C 3.56Å
84G94.6Very high95.1Very high0 Ų034.9 Ų34.90%019%0.189CC..  trans80.8177.3-169.900000111.7K79 G80 S182 I183K79-G84 PolarHBondContact O-N 3.06Å; K79-G84 VanDerWaalsContact O-N 3.16Å; G80-G84 VanDerWaalsContact O-CA 3.28Å; G80-G84 WeakPolarHBondContact O-CA 3.26Å; G80-G84 PolarHBondContact O-N 2.98Å; G84-S182 WeakPolarHBondContact O-CA 3.49Å; G84-I183 PolarHBondContact O-N 3.45Å
85Y96.9Very high94.8Very high8 Ų838.8 Ų38.83%0.03121%0.207CC..EExtended strand (participates in β ladder)trans-126.8138.8-170.6-62.8-79.1000111.5N76 K79 G80 E143 G144 N145 I147N76-Y85 VanDerWaalsContact CA-OH 3.24Å; N76-Y85 WeakPolarHBondContact CA-OH 3.45Å; N76-Y85 PolarHBondContact O-OH 3Å; K79-Y85 HydrophobicContact CD-CE1 4.19Å; K79-Y85 HydrophobicContact CG-CE1 4.38Å; G80-Y85 VanDerWaalsContact CA-CE2 3.46Å; Y85-E143 VanDerWaalsContact O-CA 3.31Å; Y85-E143 WeakPolarHBondContact O-CA 3.28Å; Y85-G144 PolarHBondContact N-O 2.75Å; Y85-G144 PolarHBondContact O-N 2.89Å; Y85-N145 WeakPolarHBondContact CD2-O 3.18Å; Y85-I147 HydrophobicContact CD1-CB 4.28Å; Y85-I147 HydrophobicContact CD1-CD1 4.02Å; Y85-I147 HydrophobicContact CD1-CG1 4.03Å; Y85-I147 HydrophobicContact CD2-CB 3.77Å; Y85-I147 HydrophobicContact CD2-CG1 4.37Å; Y85-I147 HydrophobicContact CE1-CB 4.13Å; Y85-I147 HydrophobicContact CE1-CD1 3.64Å; Y85-I147 HydrophobicContact CE1-CG1 4.03Å; Y85-I147 HydrophobicContact CE2-CB 3.61Å; Y85-I147 HydrophobicContact CE2-CG1 4.38Å; Y85-I147 HydrophobicContact CE2-CG2 4.48Å; Y85-I147 HydrophobicContact CG-CB 4.1Å; Y85-I147 HydrophobicContact CG-CG1 4.19Å
86R95.9Very high94.6Very high57 Ų5741.9 Ų41.922%0.21521%0.213CC..EExtended strand (participates in β ladder)trans-128.5122.7172.9-178.2-178.7-69.5154.7-6.8110.2K88 Q141 I142 E143 E181 I183R86-K88 HydrophobicContact CG-CG 4.48Å; R86-Q141 HydrophobicContact CG-CB 4.07Å; R86-I142 CarbonylContact C-O 3.59Å; R86-I142 WeakPolarHBondContact CA-O 3.2Å; R86-E143 HydrophobicContact CB-CG 4.31Å; R86-E143 HydrophobicContact CG-CG 4.07Å; R86-E143 IonicContact CZ-OE1 3.44Å; R86-E143 IonicContact NE-OE1 3.64Å; R86-E143 PolarHBondContact NE-OE1 3.19Å; R86-E143 IonicContact NH2-OE1 3.96Å; R86-E143 PolarHBondContact NH2-OE1 3.46Å; R86-E181 HydrophobicContact CB-CB 4.45Å; R86-E181 PolarHBondContact N-O 3.11Å; R86-E181 PolarHBondContact O-N 3.38Å; R86-I183 HydrophobicContact CB-CD1 3.75Å; R86-I183 HydrophobicContact CB-CG1 3.54Å
87Y97.6Very high94.4Very high22 Ų2242.2 Ų42.29%0.08622%0.218CC..EExtended strand (participates in β ladder)trans-109122.2170-76.822.8000107.7Q141 I142 V150 A151 A154 V177 S179 K180Y87-Q141 CarbonylContact O-C 3.48Å; Y87-Q141 WeakPolarHBondContact O-CA 3.49Å; Y87-I142 PolarHBondContact N-O 2.86Å; Y87-I142 PolarHBondContact O-N 2.77Å; Y87-V150 HydrophobicContact CD1-CG1 3.89Å; Y87-V150 HydrophobicContact CD2-CG1 4.29Å; Y87-V150 HydrophobicContact CE1-CG1 4.33Å; Y87-V150 HydrophobicContact CG-CG1 3.87Å; Y87-A151 HydrophobicContact CE2-CB 3.83Å; Y87-A154 HydrophobicContact CD2-CB 3.9Å; Y87-V177 HydrophobicContact CD2-CG1 4.33Å; Y87-S179 WeakPolarHBondContact CA-O 3.45Å; Y87-K180 HydrophobicContact CD1-CB 4.06Å; Y87-K180 HydrophobicContact CD1-CG 3.89Å; Y87-K180 HydrophobicContact CD2-CG 4.23Å; Y87-K180 HydrophobicContact CE1-CB 3.89Å; Y87-K180 HydrophobicContact CE1-CD 4.05Å; Y87-K180 HydrophobicContact CE1-CG 3.76Å; Y87-K180 HydrophobicContact CE2-CD 4.02Å; Y87-K180 HydrophobicContact CE2-CG 4.13Å; Y87-K180 HydrophobicContact CG-CG 4.13Å
88K97.1Very high94.2Very high44 Ų4441.9 Ų41.919%0.19122%0.217CC..EExtended strand (participates in β ladder)trans-89.2136.5171-65.3-178.4-173.61530108.9R86 E139 I140 Q141 V177 S178 S179 E181R86-K88 HydrophobicContact CG-CG 4.48Å; K88-E139 HydrophobicContact CB-CG 4.48Å; K88-I140 CarbonylContact C-O 3.36Å; K88-I140 WeakPolarHBondContact CA-O 3.5Å; K88-Q141 HydrophobicContact CG-CB 4.28Å; K88-V177 CarbonylContact O-C 3.53Å; K88-V177 WeakPolarHBondContact O-CA 3.47Å; K88-S178 WeakPolarHBondContact CB-OG 3.45Å; K88-S178 PolarHBondContact O-N 3.2Å; K88-S178 PolarHBondContact O-OG 2.85Å; K88-S179 WeakPolarHBondContact CD-OG 3.09Å; K88-S179 PolarHBondContact N-O 3.28Å; K88-S179 PolarHBondContact O-N 3.18Å; K88-E181 IonicContact NZ-OE1 2.69Å; K88-E181 PolarHBondContact NZ-OE1 2.75Å; K88-E181 IonicContact NZ-OE2 3.86Å; K88-E181 PolarHBondContact NZ-OE2 2.83Å
89L97.2Very high94.1Very high0 Ų045.4 Ų45.40%024%0.236CC..EExtended strand (participates in β ladder)trans-122.8138.2175.4-66.384.2000109.2E139 I140 I142 A154 V157 I175 Y176 V177L89-E139 WeakPolarHBondContact O-CA 3.44Å; L89-I140 HydrophobicContact CB-CD1 4.38Å; L89-I140 HydrophobicContact CB-CG1 3.9Å; L89-I140 PolarHBondContact N-O 2.82Å; L89-I140 PolarHBondContact O-N 3.32Å; L89-I142 HydrophobicContact CD1-CD1 3.69Å; L89-I142 HydrophobicContact CD1-CG1 3.93Å; L89-A154 HydrophobicContact CD1-CB 4.15Å; L89-A154 HydrophobicContact CD2-CB 4.27Å; L89-V157 HydrophobicContact CD2-CB 4.11Å; L89-V157 HydrophobicContact CD2-CG1 3.89Å; L89-I175 HydrophobicContact CB-CG2 3.82Å; L89-I175 HydrophobicContact CD2-CG2 3.9Å; L89-Y176 CarbonylContact C-O 3.46Å; L89-Y176 WeakPolarHBondContact CA-O 3.43Å; L89-V177 HydrophobicContact CD2-CG2 4.3Å; L89-V177 HydrophobicContact CG-CG2 4.09Å
90K96Very high94.2Very high89 Ų8942.1 Ų42.139%0.38722%0.222SC..EExtended strand (participates in β ladder)trans-114.5137.5174.7-71.5-171.2176.6-170.70110.7D138 E139 I175 Y176K90-D138 CarbonylContact C-O 2.85Å; K90-D138 VanDerWaalsContact CA-O 3.26Å; K90-D138 WeakPolarHBondContact CA-O 3.26Å; K90-E139 WeakPolarHBondContact CE-OE2 3.41Å; K90-E139 HydrophobicContact CG-CB 4.09Å; K90-E139 HydrophobicContact CG-CG 3.93Å; K90-E139 IonicContact NZ-OE2 2.92Å; K90-I175 WeakPolarHBondContact O-CA 3.39Å; K90-Y176 PolarHBondContact N-O 2.92Å; K90-Y176 PolarHBondContact O-N 3.36Å
91S94.7Very high94.1Very high10 Ų1045.6 Ų45.67%0.0724%0.24CC..EExtended strand (participates in β ladder)trans-77.7134.9163.954.60000109.2D138 G174S91-D138 PolarHBondContact N-O 3.01Å; S91-D138 WeakPolarHBondContact OG-CB 3.23Å; S91-D138 PolarHBondContact OG-O 3.01Å; S91-G174 WeakPolarHBondContact CA-O 3.26Å
92V93.7Very high94.2Very high73 Ų7347 Ų4744%0.44225%0.249SC..EExtended strand (participates in β ladder)trans-124.4129.1175.1179.20000106.1D173 G174 Y176V92-D173 CarbonylContact O-C 3.49Å; V92-D173 VanDerWaalsContact O-CA 3.22Å; V92-D173 WeakPolarHBondContact O-CA 3.13Å; V92-G174 PolarHBondContact N-O 3.12Å; V92-G174 PolarHBondContact O-N 3.11Å; V92-G174 VanDerWaalsContact O-O 3.13Å; V92-Y176 HydrophobicContact CB-CD2 4.12Å; V92-Y176 HydrophobicContact CB-CE2 4.2Å; V92-Y176 HydrophobicContact CG2-CD2 3.98Å
93Y91.9Very high94.2Very high74 Ų7445.9 Ų45.929%0.2925%0.246SC..  trans-150.1148.9-179.559-95.5000110.5F96 P97 I98 D173Y93-F96 VanDerWaalsContact CB-O 3.25Å; Y93-F96 WeakPolarHBondContact CB-O 3.34Å; Y93-P97 HydrophobicContact CD2-CB 4.43Å; Y93-P97 HydrophobicContact CD2-CG 4.44Å; Y93-P97 HydrophobicContact CE1-CB 4.36Å; Y93-P97 HydrophobicContact CE2-CB 3.91Å; Y93-P97 HydrophobicContact CE2-CG 3.88Å; Y93-I98 HydrophobicContact CD1-CB 4.45Å; Y93-I98 HydrophobicContact CD1-CG1 4.4Å; Y93-D173 WeakPolarHBondContact CA-OD2 3.31Å; Y93-D173 WeakPolarHBondContact CB-OD2 3.38Å
94A90.9Very high94.1Very high84 Ų8453.7 Ų53.769%0.69429%0.286SS*.SBendtrans-118.8-25.3173.100000111.6D173A94-D173 PolarHBondContact N-OD2 2.92Å
95H89.6Confident94Very high82 Ų8258.4 Ų58.438%0.3831%0.311SS..SBendtrans-104.6-53.6-171.4-57.886.8000112K170 F171 D173H95-K170 PolarHBondContact CE1-O 2.97Å; H95-F171 AromaticContact CD2-CE1 3.72Å; H95-F171 AromaticContact CE1-CD1 3.44Å; H95-F171 VanDerWaalsContact CE1-CD1 3.44Å; H95-F171 WeakPolarHBondContact CE1-CD1 3.21Å; H95-F171 AromaticContact CE1-CE1 3.57Å; H95-F171 AromaticContact CG-CE1 3.95Å; H95-F171 AromaticContact ND1-CD1 3.61Å; H95-F171 AromaticContact ND1-CE1 3.85Å; H95-F171 AromaticContact NE2-CD1 3.84Å; H95-F171 AromaticContact NE2-CE1 3.45Å; H95-F171 WeakPolarHBondContact NE2-CE1 3.43Å; H95-F171 AromaticContact NE2-CZ 3.95Å; H95-D173 IonicContact CE1-OD1 3.08Å; H95-D173 IonicContact CG-OD2 3.52Å; H95-D173 PolarHBondContact N-OD2 2.79Å; H95-D173 IonicContact ND1-OD1 2.75Å; H95-D173 PolarHBondContact ND1-OD1 2.85Å; H95-D173 IonicContact ND1-OD2 3.93Å; H95-D173 PolarHBondContact ND1-OD2 2.9Å
96F91Very high93.8Very high91 Ų9158.2 Ų58.240%0.39931%0.312SS..SBendtrans-132.8127.7-174.6-61.8-78.3000110.1Y93 I98 L115Y93-F96 VanDerWaalsContact CB-O 3.25Å; Y93-F96 WeakPolarHBondContact CB-O 3.34Å; F96-I98 PolarHBondContact O-N 3.08Å; F96-L115 VanDerWaalsContact CD2-C 3.45Å
97P92.3Very high93.7Very high63 Ų6357.5 Ų57.541%0.40932%0.316SS..PPolyproline II helixtrans-58129.8175.2-24.834.1000112.2Y93 N113Y93-P97 HydrophobicContact CD2-CB 4.43Å; Y93-P97 HydrophobicContact CD2-CG 4.44Å; Y93-P97 HydrophobicContact CE1-CB 4.36Å; Y93-P97 HydrophobicContact CE2-CB 3.91Å; Y93-P97 HydrophobicContact CE2-CG 3.88Å; P97-N113 PolarHBondContact O-ND2 2.87Å
98I94.4Very high93.7Very high1 Ų161.5 Ų61.51%0.00533%0.334CS..PPolyproline II helixtrans-97.7117.3179.6-57.5169.5000108.6Y93 F96 I111 F114 I175Y93-I98 HydrophobicContact CD1-CB 4.45Å; Y93-I98 HydrophobicContact CD1-CG1 4.4Å; F96-I98 PolarHBondContact O-N 3.08Å; I98-I111 HydrophobicContact CG2-CG2 3.68Å; I98-F114 HydrophobicContact CD1-CD2 3.94Å; I98-F114 HydrophobicContact CD1-CE2 4.37Å; I98-F114 HydrophobicContact CG1-CD2 4.35Å; I98-I175 HydrophobicContact CG2-CD1 4.32Å; I98-I175 HydrophobicContact CG2-CG1 4.38Å
99N93.2Very high93.6Very high85 Ų8559.4 Ų59.446%0.45532%0.324SS..EExtended strand (participates in β ladder)trans-92.8123.3177.5-67.4-28.4000110.2I111 R112N99-I111 WeakPolarHBondContact O-CA 3.48Å; N99-R112 HydrophobicContact CB-CB 4.22Å; N99-R112 PolarHBondContact N-O 2.68Å; N99-R112 VanDerWaalsContact N-O 3.11Å; N99-R112 PolarHBondContact O-N 3.02Å
100M95.1Very high93.6Very high27 Ų2762.2 Ų62.213%0.13334%0.338CS..EExtended strand (participates in β ladder)trans-108109.5175.7-64.3-174.7-67.100109.3L109 D138 I140 I175M100-L109 HydrophobicContact CB-CD1 4.26Å; M100-D138 VanDerWaalsContact CE-O 3.23Å; M100-D138 WeakPolarHBondContact CE-O 3.14Å; M100-I140 HydrophobicContact CB-CG2 3.9Å; M100-I140 HydrophobicContact CE-CG1 4.24Å; M100-I140 HydrophobicContact CE-CG2 4Å; M100-I140 HydrophobicContact SD-CD1 3.78Å; M100-I140 HydrophobicContact SD-CG1 3.91Å; M100-I140 HydrophobicContact SD-CG2 4.2Å; M100-I175 HydrophobicContact CG-CD1 3.83Å; M100-I175 HydrophobicContact CG-CG1 4.49Å; M100-I175 HydrophobicContact SD-CD1 3.63Å; M100-I175 HydrophobicContact SD-CG1 3.9Å; M100-I175 HydrophobicContact SD-CG2 3.84Å
101I94.9Very high93.5Very high72 Ų7258 Ų5837%0.36932%0.319SS..EExtended strand (participates in β ladder)trans-115101.5-176.9-55175.3000108.3E110I101-E110 HydrophobicContact CB-CB 4.37Å; I101-E110 PolarHBondContact N-O 2.68Å; I101-E110 PolarHBondContact O-N 3.17Å
102P95.1Very high93.5Very high29 Ų2962.8 Ų62.819%0.18834%0.336CS..EExtended strand (participates in β ladder)trans-69.6141.8171.129.3-32.4000109.8L109 V131 A133P102-L109 HydrophobicContact CB-CD1 4.4Å; P102-V131 HydrophobicContact CB-CG1 3.9Å; P102-V131 HydrophobicContact CB-CG2 4.31Å; P102-A133 HydrophobicContact CG-CB 4.48Å
103A93.3Very high93.5Very high37 Ų3762 Ų6231%0.30633%0.329SS..  trans-64.2152.6169.500000110.6D105 G106 K108A103-D105 VanDerWaalsContact CB-OD1 3.22Å; A103-D105 WeakPolarHBondContact CB-OD1 3.45Å; A103-D105 PolarHBondContact O-N 2.92Å; A103-D105 VanDerWaalsContact O-N 3.16Å; A103-G106 WeakPolarHBondContact O-CA 3.41Å; A103-G106 PolarHBondContact O-N 2.94Å; A103-K108 HydrophobicContact CB-CB 4.4Å; A103-K108 PolarHBondContact N-O 3.31Å
104N90.4Very high93.4Very high180 Ų18058.7 Ų58.796%0.96332%0.316SS*.THydrogen-bonded Turntrans-58.6-31-176.8-68.4-15.4000113.6G106N104-G106 VanDerWaalsContact C-N 3.33Å
105D92Very high93.4Very high98 Ų9855.9 Ų55.952%0.52429%0.29SS..THydrogen-bonded Turntrans-83.7-10.1176.565.3-15.5000113.2A103 S107A103-D105 VanDerWaalsContact CB-OD1 3.22Å; A103-D105 WeakPolarHBondContact CB-OD1 3.45Å; A103-D105 PolarHBondContact O-N 2.92Å; A103-D105 VanDerWaalsContact O-N 3.16Å; D105-S107 VanDerWaalsContact C-N 3.27Å; D105-S107 PolarHBondContact O-N 3.47Å; D105-S107 PolarHBondContact OD1-N 3.5Å; D105-S107 PolarHBondContact OD1-OG 3.12Å; D105-S107 WeakPolarHBondContact OD2-CB 3.36Å; D105-S107 PolarHBondContact OD2-OG 2.96Å
106G93.2Very high93.3Very high4 Ų453.6 Ų53.64%0.04129%0.288CS..SBendtrans71.914.2-174.900000114.2A103 N104 M125 K130 V131A103-G106 WeakPolarHBondContact O-CA 3.41Å; A103-G106 PolarHBondContact O-N 2.94Å; N104-G106 VanDerWaalsContact C-N 3.33Å; G106-M125 WeakPolarHBondContact O-CG 3.39Å; G106-K130 WeakPolarHBondContact O-CA 3.48Å; G106-V131 VanDerWaalsContact CA-O 3.25Å; G106-V131 WeakPolarHBondContact CA-O 3.43Å; G106-V131 PolarHBondContact O-N 2.9Å
107S95.3Very high93.2Very high43 Ų4352.9 Ų52.930%0.30129%0.286SS..SBendtrans-82.7-18.2-175.870.30000113.9D105 M125D105-S107 VanDerWaalsContact C-N 3.27Å; D105-S107 PolarHBondContact O-N 3.47Å; D105-S107 PolarHBondContact OD1-N 3.5Å; D105-S107 PolarHBondContact OD1-OG 3.12Å; D105-S107 WeakPolarHBondContact OD2-CB 3.36Å; D105-S107 PolarHBondContact OD2-OG 2.96Å; S107-M125 WeakPolarHBondContact O-CB 3.38Å; S107-M125 PolarHBondContact O-N 3.4Å
108K95.6Very high93.1Very high105 Ų10560.1 Ų60.146%0.45731%0.311SS..EExtended strand (participates in β ladder)trans-144151.1-178.7-59.5178-173.3171.90110.2A103 I122 V123 P124 V131A103-K108 HydrophobicContact CB-CB 4.4Å; A103-K108 PolarHBondContact N-O 3.31Å; K108-I122 HydrophobicContact CB-CG2 4.36Å; K108-I122 HydrophobicContact CD-CG2 4.19Å; K108-V123 WeakPolarHBondContact CA-O 3.19Å; K108-P124 HydrophobicContact CG-CB 4.46Å; K108-V131 WeakPolarHBondContact O-CG1 3.13Å
109L96.7Very high93Very high0 Ų063.3 Ų63.30%034%0.337CS..EExtended strand (participates in β ladder)trans-114.2125.2168.9-179.469.2000109.3M100 P102 I111 V123 M125 V131 I140 V157M100-L109 HydrophobicContact CB-CD1 4.26Å; P102-L109 HydrophobicContact CB-CD1 4.4Å; L109-I111 HydrophobicContact CD2-CD1 4.19Å; L109-I111 HydrophobicContact CD2-CG1 4.01Å; L109-I111 HydrophobicContact CG-CG1 4.12Å; L109-V123 PolarHBondContact N-O 3.36Å; L109-V123 PolarHBondContact O-N 2.71Å; L109-M125 HydrophobicContact CB-CE 3.73Å; L109-V131 HydrophobicContact CB-CG1 4.25Å; L109-V131 HydrophobicContact CD1-CG2 4.16Å; L109-I140 HydrophobicContact CD1-CD1 3.98Å; L109-I140 HydrophobicContact CD2-CD1 3.44Å; L109-I140 VanDerWaalsContact CD2-CD1 3.44Å; L109-I140 HydrophobicContact CG-CD1 4.37Å; L109-V157 HydrophobicContact CD2-CB 4.42Å; L109-V157 HydrophobicContact CD2-CG1 3.78Å; L109-V157 HydrophobicContact CD2-CG2 3.68Å
110E95.7Very high93Very high60 Ų6062.2 Ų62.228%0.2833%0.334SS..EExtended strand (participates in β ladder)trans-96127.6169-62.3-172.8179.900109.9I101 R112 T120 K121 I122I101-E110 HydrophobicContact CB-CB 4.37Å; I101-E110 PolarHBondContact N-O 2.68Å; I101-E110 PolarHBondContact O-N 3.17Å; E110-R112 IonicContact OE2-CZ 2.68Å; E110-R112 IonicContact OE2-NE 3.42Å; E110-R112 PolarHBondContact OE2-NE 2.69Å; E110-R112 IonicContact OE2-NH2 3.12Å; E110-R112 PolarHBondContact OE2-NH2 2.85Å; E110-T120 HydrophobicContact CB-CG2 3.93Å; E110-T120 HydrophobicContact CG-CG2 4.35Å; E110-K121 CarbonylContact C-O 3.6Å; E110-K121 WeakPolarHBondContact CA-O 3.35Å; E110-I122 HydrophobicContact CG-CG1 4.39Å
111I95.3Very high93Very high0 Ų063.2 Ų63.20%034%0.337CS..EExtended strand (participates in β ladder)trans-113.9118.9176.1-54.9158.3000107.5I98 N99 L109 K121 V123 V157 S160 I175I98-I111 HydrophobicContact CG2-CG2 3.68Å; N99-I111 WeakPolarHBondContact O-CA 3.48Å; L109-I111 HydrophobicContact CD2-CD1 4.19Å; L109-I111 HydrophobicContact CD2-CG1 4.01Å; L109-I111 HydrophobicContact CG-CG1 4.12Å; I111-K121 HydrophobicContact CB-CB 4.28Å; I111-K121 PolarHBondContact N-O 2.85Å; I111-K121 PolarHBondContact O-N 3.07Å; I111-V123 HydrophobicContact CD1-CG2 4.09Å; I111-V157 HydrophobicContact CD1-CG1 4.19Å; I111-S160 WeakPolarHBondContact CD1-OG 3.5Å; I111-I175 HydrophobicContact CD1-CD1 3.67Å; I111-I175 HydrophobicContact CG1-CD1 3.85Å; I111-I175 HydrophobicContact CG2-CD1 3.98Å
112R94.7Very high93Very high110 Ų11064.5 Ų64.542%0.41534%0.344SS..EExtended strand (participates in β ladder)trans-114.9153.2-177.4-57-176.1-178.4-170.11.3110.8N99 E110 F114 T120N99-R112 HydrophobicContact CB-CB 4.22Å; N99-R112 PolarHBondContact N-O 2.68Å; N99-R112 VanDerWaalsContact N-O 3.11Å; N99-R112 PolarHBondContact O-N 3.02Å; E110-R112 IonicContact OE2-CZ 2.68Å; E110-R112 IonicContact OE2-NE 3.42Å; E110-R112 PolarHBondContact OE2-NE 2.69Å; E110-R112 IonicContact OE2-NH2 3.12Å; E110-R112 PolarHBondContact OE2-NH2 2.85Å; R112-F114 PolarHBondContact O-N 3.01Å; R112-T120 HydrophobicContact CG-CG2 3.77Å
113N92Very high93Very high57 Ų5763.5 Ų63.531%0.30534%0.337SS..  trans60.526.2173.7-162.846.3000114.7P97 L115 G116P97-N113 PolarHBondContact O-ND2 2.87Å; N113-L115 PolarHBondContact O-N 3.28Å; N113-G116 PolarHBondContact O-N 2.85Å; N113-G116 WeakPolarHBondContact OD1-CA 3.13Å
114F91Very high93.2Very high4 Ų465.5 Ų65.52%0.01835%0.347CS..G310 helixtrans-64.5119.1174.2176.9-103.5000109.7I98 R112 G116 E117 C161 V163I98-F114 HydrophobicContact CD1-CD2 3.94Å; I98-F114 HydrophobicContact CD1-CE2 4.37Å; I98-F114 HydrophobicContact CG1-CD2 4.35Å; R112-F114 PolarHBondContact O-N 3.01Å; F114-G116 PolarHBondContact O-N 3.23Å; F114-G116 VanDerWaalsContact O-N 3.12Å; F114-E117 VanDerWaalsContact O-CB 3.23Å; F114-E117 WeakPolarHBondContact O-CB 3.09Å; F114-E117 VanDerWaalsContact O-CG 3.22Å; F114-E117 WeakPolarHBondContact O-CG 2.8Å; F114-E117 PolarHBondContact O-N 2.83Å; F114-C161 HydrophobicContact CD2-CB 3.93Å; F114-C161 HydrophobicContact CE2-CB 3.62Å; F114-C161 WeakPolarHBondContact CE2-O 3.27Å; F114-C161 VanDerWaalsContact CZ-C 3.45Å; F114-C161 HydrophobicContact CZ-CB 4.06Å; F114-C161 WeakPolarHBondContact CZ-O 3.22Å; F114-V163 HydrophobicContact CZ-CG2 3.95Å
115L89.8Confident93.4Very high26 Ų2657.9 Ų57.914%0.13631%0.306CS..G310 helixtrans52.328.4-175-66.1-179.8000114.7F96 N113 E117 V163 F171 D173F96-L115 VanDerWaalsContact CD2-C 3.45Å; N113-L115 PolarHBondContact O-N 3.28Å; L115-E117 VanDerWaalsContact C-N 3.26Å; L115-E117 PolarHBondContact O-N 2.88Å; L115-V163 HydrophobicContact CD1-CG1 4.08Å; L115-V163 HydrophobicContact CD1-CG2 4.07Å; L115-F171 HydrophobicContact CD2-CD1 4.17Å; L115-D173 HydrophobicContact CD2-CB 3.95Å
116G87.3Confident93.6Very high33 Ų3355.8 Ų55.834%0.3429%0.293SS..G310 helixtrans76.310.6-177.800000114.3N113 F114 K118N113-G116 PolarHBondContact O-N 2.85Å; N113-G116 WeakPolarHBondContact OD1-CA 3.13Å; F114-G116 PolarHBondContact O-N 3.23Å; F114-G116 VanDerWaalsContact O-N 3.12Å; G116-K118 PolarHBondContact O-N 2.77Å
117E89.1Confident93.6Very high76 Ų7660 Ų6036%0.35532%0.322SS..  trans-63.8131.5173.1-68.8172.2-169.900110.3F114 L115 A119 K121F114-E117 VanDerWaalsContact O-CB 3.23Å; F114-E117 WeakPolarHBondContact O-CB 3.09Å; F114-E117 VanDerWaalsContact O-CG 3.22Å; F114-E117 WeakPolarHBondContact O-CG 2.8Å; F114-E117 PolarHBondContact O-N 2.83Å; L115-E117 VanDerWaalsContact C-N 3.26Å; L115-E117 PolarHBondContact O-N 2.88Å; E117-A119 VanDerWaalsContact C-N 3.27Å; E117-K121 IonicContact OE1-NZ 2.68Å; E117-K121 WeakPolarHBondContact OE2-CE 3.34Å; E117-K121 IonicContact OE2-NZ 3.08Å; E117-K121 PolarHBondContact OE2-NZ 2.99Å
118K90.9Very high93.4Very high216 Ų21661.2 Ų61.294%0.93934%0.341SS*.SBendtrans-71.7-23.5170.7-67.3-174.9179.4-1790112.4G116G116-K118 PolarHBondContact O-N 2.77Å
119A91.5Very high93.5Very high67 Ų6756.6 Ų56.655%0.55432%0.322SS*.SBendtrans-71.9134.3-179.800000110.8E117E117-A119 VanDerWaalsContact C-N 3.27Å
120T93.8Very high93.4Very high62 Ų6263.2 Ų63.238%0.3835%0.35SS..PPolyproline II helixtrans-88127.7173.6-60.10000109.3E110 R112 I122E110-T120 HydrophobicContact CB-CG2 3.93Å; E110-T120 HydrophobicContact CG-CG2 4.35Å; R112-T120 HydrophobicContact CG-CG2 3.77Å; T120-I122 HydrophobicContact CG2-CG1 4.31Å
121K94.2Very high93.5Very high48 Ų4860.5 Ų60.521%0.20934%0.338CS..EExtended strand (participates in β ladder)trans-88.9126.1173.2-64.5179-179.4176.30108.5E110 I111 E117 S160E110-K121 CarbonylContact C-O 3.6Å; E110-K121 WeakPolarHBondContact CA-O 3.35Å; I111-K121 HydrophobicContact CB-CB 4.28Å; I111-K121 PolarHBondContact N-O 2.85Å; I111-K121 PolarHBondContact O-N 3.07Å; E117-K121 IonicContact OE1-NZ 2.68Å; E117-K121 WeakPolarHBondContact OE2-CE 3.34Å; E117-K121 IonicContact OE2-NZ 3.08Å; E117-K121 PolarHBondContact OE2-NZ 2.99Å; K121-S160 VanDerWaalsContact CD-O 3.31Å; K121-S160 WeakPolarHBondContact CD-O 3.4Å; K121-S160 PolarHBondContact NZ-O 2.83Å
122I95.8Very high93.5Very high100 Ų10062.5 Ų62.551%0.51335%0.352SS..EExtended strand (participates in β ladder)trans-110.7121.3179.6-54.5176.9000107.9K108 E110 T120K108-I122 HydrophobicContact CB-CG2 4.36Å; K108-I122 HydrophobicContact CD-CG2 4.19Å; E110-I122 HydrophobicContact CG-CG1 4.39Å; T120-I122 HydrophobicContact CG2-CG1 4.31Å
123V96.2Very high93.5Very high8 Ų860.1 Ų60.15%0.04836%0.356CS..EExtended strand (participates in β ladder)trans-111.6109.3177.2-175.50000108.5K108 L109 I111 M125 L156 V157K108-V123 WeakPolarHBondContact CA-O 3.19Å; L109-V123 PolarHBondContact N-O 3.36Å; L109-V123 PolarHBondContact O-N 2.71Å; I111-V123 HydrophobicContact CD1-CG2 4.09Å; V123-M125 HydrophobicContact CG1-CE 4.24Å; V123-L156 HydrophobicContact CG1-CB 3.92Å; V123-V157 HydrophobicContact CB-CG2 4.22Å; V123-V157 HydrophobicContact CG1-CG2 3.85Å; V123-V157 HydrophobicContact CG2-CG2 4.44Å
124P96Very high93.4Very high79 Ų7959.2 Ų59.251%0.51335%0.353SS..EExtended strand (participates in β ladder)trans-73.5140.6175.130.5-33.4000111.1K108K108-P124 HydrophobicContact CG-CB 4.46Å
125M96Very high93.4Very high20 Ų2062.8 Ų62.810%0.09939%0.39CS..PPolyproline II helixtrans-83.8148.6172.1-59.9-60.6131.500110.3G106 S107 L109 V123 V129 V131 I142 C153 V157G106-M125 WeakPolarHBondContact O-CG 3.39Å; S107-M125 WeakPolarHBondContact O-CB 3.38Å; S107-M125 PolarHBondContact O-N 3.4Å; L109-M125 HydrophobicContact CB-CE 3.73Å; V123-M125 HydrophobicContact CG1-CE 4.24Å; M125-V129 HydrophobicContact SD-CG1 4.48Å; M125-V131 HydrophobicContact CE-CB 4.13Å; M125-V131 HydrophobicContact CE-CG1 4.08Å; M125-V131 HydrophobicContact CG-CB 4.17Å; M125-V131 HydrophobicContact CG-CG1 3.93Å; M125-V131 HydrophobicContact SD-CB 4.08Å; M125-V131 HydrophobicContact SD-CG1 4.34Å; M125-I142 HydrophobicContact SD-CD1 4.42Å; M125-C153 HydrophobicContact SD-CB 3.81Å; M125-V157 HydrophobicContact CE-CG2 4.17Å
126E94.9Very high93.5Very high54 Ų5465.3 Ų65.325%0.25241%0.407SS..PPolyproline II helixtrans-75.2161.3173.2-70.3-159.2174.100112.5G128 V129 K149 K152 C153E126-G128 PolarHBondContact O-N 3.19Å; E126-V129 WeakPolarHBondContact O-CB 3.43Å; E126-V129 PolarHBondContact O-N 2.84Å; E126-K149 HydrophobicContact CB-CB 4.25Å; E126-K149 HydrophobicContact CB-CD 4.23Å; E126-K149 WeakPolarHBondContact OE2-CG 3.49Å; E126-K152 WeakPolarHBondContact OE1-CD 3.44Å; E126-K152 WeakPolarHBondContact OE1-CE 3.44Å; E126-K152 IonicContact OE1-NZ 3.38Å; E126-K152 PolarHBondContact OE1-NZ 2.82Å; E126-C153 PolarHBondContact N-SG 3.47Å
127S93Very high93.7Very high92 Ų9271.4 Ų71.464%0.64342%0.424SS*.THydrogen-bonded Turntrans-56.7126.2178.454.90000112.7V129 K149S127-V129 VanDerWaalsContact C-N 3.32Å; S127-K149 WeakPolarHBondContact O-CD 3.34Å; S127-K149 PolarHBondContact O-NZ 2.82Å; S127-K149 PolarHBondContact OG-NZ 3.09Å
128G92.5Very high93.9Very high69 Ų6970.2 Ų70.271%0.71142%0.42SS*.THydrogen-bonded Turntrans82.94.8-178.100000114.5E126E126-G128 PolarHBondContact O-N 3.19Å
129V96.2Very high94.2Very high7 Ų760.9 Ų60.94%0.04238%0.38CS..EExtended strand (participates in β ladder)trans-109.7135.7171.9-178.80000108.9M125 E126 S127 I142 E143 K149 V150 C153M125-V129 HydrophobicContact SD-CG1 4.48Å; E126-V129 WeakPolarHBondContact O-CB 3.43Å; E126-V129 PolarHBondContact O-N 2.84Å; S127-V129 VanDerWaalsContact C-N 3.32Å; V129-I142 HydrophobicContact CG1-CG2 3.27Å; V129-E143 CarbonylContact C-O 3.58Å; V129-E143 VanDerWaalsContact CA-O 3.26Å; V129-E143 WeakPolarHBondContact CA-O 3.49Å; V129-K149 HydrophobicContact CG2-CB 3.52Å; V129-V150 HydrophobicContact CG1-CG2 4.3Å; V129-V150 HydrophobicContact CG2-CG2 3.99Å; V129-C153 HydrophobicContact CG1-CB 4.24Å
130K96.1Very high94.4Very high139 Ų13957.9 Ų57.960%0.60435%0.354SS*.EExtended strand (participates in β ladder)trans-125.4138.9176.9-68.3-173.2176.1-173.40110.6G106 I142 E143G106-K130 WeakPolarHBondContact O-CA 3.48Å; K130-I142 WeakPolarHBondContact O-CA 3.38Å; K130-E143 PolarHBondContact N-O 2.65Å; K130-E143 PolarHBondContact O-N 3.35Å
131V97Very high94.5Very high4 Ų456.2 Ų56.22%0.02434%0.342CS..EExtended strand (participates in β ladder)trans-101138.8169.764.50000110.2P102 G106 K108 L109 M125 I140 Q141 I142P102-V131 HydrophobicContact CB-CG1 3.9Å; P102-V131 HydrophobicContact CB-CG2 4.31Å; G106-V131 VanDerWaalsContact CA-O 3.25Å; G106-V131 WeakPolarHBondContact CA-O 3.43Å; G106-V131 PolarHBondContact O-N 2.9Å; K108-V131 WeakPolarHBondContact O-CG1 3.13Å; L109-V131 HydrophobicContact CB-CG1 4.25Å; L109-V131 HydrophobicContact CD1-CG2 4.16Å; M125-V131 HydrophobicContact CE-CB 4.13Å; M125-V131 HydrophobicContact CE-CG1 4.08Å; M125-V131 HydrophobicContact CG-CB 4.17Å; M125-V131 HydrophobicContact CG-CG1 3.93Å; M125-V131 HydrophobicContact SD-CB 4.08Å; M125-V131 HydrophobicContact SD-CG1 4.34Å; V131-I140 HydrophobicContact CG2-CB 4.43Å; V131-I140 HydrophobicContact CG2-CD1 4.09Å; V131-Q141 CarbonylContact C-O 3.58Å; V131-Q141 WeakPolarHBondContact CA-O 3.43Å; V131-I142 HydrophobicContact CB-CG1 4.35Å; V131-I142 HydrophobicContact CG2-CG1 4.07Å
132S95.4Very high94.7Very high41 Ų4154 Ų5429%0.28733%0.332SS..EExtended strand (participates in β ladder)trans-146.5159.9175.754.70000110.9I140 Q141S132-I140 CarbonylContact O-C 3.46Å; S132-I140 WeakPolarHBondContact O-CA 3.38Å; S132-Q141 PolarHBondContact N-O 3.46Å; S132-Q141 PolarHBondContact O-N 2.81Å; S132-Q141 WeakPolarHBondContact OG-CG 3.21Å; S132-Q141 PolarHBondContact OG-NE2 3.11Å; S132-Q141 VanDerWaalsContact OG-NE2 3.07Å
133A93.9Very high94.7Very high60 Ų6051.4 Ų51.450%0.49632%0.318SS..EExtended strand (participates in β ladder)trans-78.8143.5170.300000109.9P102 G135P102-A133 HydrophobicContact CG-CB 4.48Å; A133-G135 VanDerWaalsContact C-N 3.32Å
134T91.3Very high94.6Very high39 Ų3951.3 Ų51.324%0.23932%0.319CS..  trans-83.3-10.5177.560.50000113.1V136 E139 Q141T134-V136 PolarHBondContact O-N 3.29Å; T134-V136 PolarHBondContact OG1-N 3.27Å; T134-E139 WeakPolarHBondContact CB-OE1 3.34Å; T134-E139 HydrophobicContact CG2-CG 4.02Å; T134-E139 WeakPolarHBondContact CG2-OE1 3.45Å; T134-E139 WeakPolarHBondContact OG1-CB 3.36Å; T134-E139 PolarHBondContact OG1-OE1 3.46Å; T134-Q141 HydrophobicContact CG2-CB 3.7Å; T134-Q141 HydrophobicContact CG2-CG 3.81Å
135G89.8Confident94.6Very high78 Ų7849.2 Ų49.280%0.80430%0.303SS*.SBendtrans84.9-14.6-168.900000113.1A133A133-G135 VanDerWaalsContact C-N 3.32Å
136V92.9Very high94.6Very high80 Ų8049.8 Ų49.849%0.48531%0.307SS..SBendtrans-78.9136.1168.9-177.40000108.5T134 D138 E139T134-V136 PolarHBondContact O-N 3.29Å; T134-V136 PolarHBondContact OG1-N 3.27Å; V136-D138 PolarHBondContact O-N 2.91Å; V136-E139 HydrophobicContact CB-CB 4.11Å; V136-E139 HydrophobicContact CG1-CB 4.37Å; V136-E139 PolarHBondContact O-N 3.01Å
137K91.7Very high94.7Very high161 Ų16148.8 Ų48.870%0.730%0.303SS*.THydrogen-bonded Turntrans-56.9138.5177.6-167.2-169.3170.3-174.90110.3E139K137-E139 PolarHBondContact O-N 3Å
138D93.2Very high94.8Very high50 Ų5048 Ų4827%0.26729%0.289SS..THydrogen-bonded Turntrans61.721.8175.7-58.1-42.4000114.1K90 S91 M100 V136K90-D138 CarbonylContact C-O 2.85Å; K90-D138 VanDerWaalsContact CA-O 3.26Å; K90-D138 WeakPolarHBondContact CA-O 3.26Å; S91-D138 PolarHBondContact N-O 3.01Å; S91-D138 WeakPolarHBondContact OG-CB 3.23Å; S91-D138 PolarHBondContact OG-O 3.01Å; M100-D138 VanDerWaalsContact CE-O 3.23Å; M100-D138 WeakPolarHBondContact CE-O 3.14Å; V136-D138 PolarHBondContact O-N 2.91Å
139E95.8Very high95Very high21 Ų2147.4 Ų47.410%0.09827%0.267CS..EExtended strand (participates in β ladder)trans-128.1136.3179.2-169.8178.978.300112.6K88 L89 K90 T134 V136 K137K88-E139 HydrophobicContact CB-CG 4.48Å; L89-E139 WeakPolarHBondContact O-CA 3.44Å; K90-E139 WeakPolarHBondContact CE-OE2 3.41Å; K90-E139 HydrophobicContact CG-CB 4.09Å; K90-E139 HydrophobicContact CG-CG 3.93Å; K90-E139 IonicContact NZ-OE2 2.92Å; T134-E139 WeakPolarHBondContact CB-OE1 3.34Å; T134-E139 HydrophobicContact CG2-CG 4.02Å; T134-E139 WeakPolarHBondContact CG2-OE1 3.45Å; T134-E139 WeakPolarHBondContact OG1-CB 3.36Å; T134-E139 PolarHBondContact OG1-OE1 3.46Å; V136-E139 HydrophobicContact CB-CB 4.11Å; V136-E139 HydrophobicContact CG1-CB 4.37Å; V136-E139 PolarHBondContact O-N 3.01Å; K137-E139 PolarHBondContact O-N 3Å
140I96.5Very high95.1Very high3 Ų347 Ų472%0.01527%0.265CS..EExtended strand (participates in β ladder)trans-124.7161.7170.760.1172.4000109.7K88 L89 M100 L109 V131 S132K88-I140 CarbonylContact C-O 3.36Å; K88-I140 WeakPolarHBondContact CA-O 3.5Å; L89-I140 HydrophobicContact CB-CD1 4.38Å; L89-I140 HydrophobicContact CB-CG1 3.9Å; L89-I140 PolarHBondContact N-O 2.82Å; L89-I140 PolarHBondContact O-N 3.32Å; M100-I140 HydrophobicContact CB-CG2 3.9Å; M100-I140 HydrophobicContact CE-CG1 4.24Å; M100-I140 HydrophobicContact CE-CG2 4Å; M100-I140 HydrophobicContact SD-CD1 3.78Å; M100-I140 HydrophobicContact SD-CG1 3.91Å; M100-I140 HydrophobicContact SD-CG2 4.2Å; L109-I140 HydrophobicContact CD1-CD1 3.98Å; L109-I140 HydrophobicContact CD2-CD1 3.44Å; L109-I140 VanDerWaalsContact CD2-CD1 3.44Å; L109-I140 HydrophobicContact CG-CD1 4.37Å; V131-I140 HydrophobicContact CG2-CB 4.43Å; V131-I140 HydrophobicContact CG2-CD1 4.09Å; S132-I140 CarbonylContact O-C 3.46Å; S132-I140 WeakPolarHBondContact O-CA 3.38Å
141Q96.5Very high95.1Very high28 Ų2842.1 Ų42.113%0.13125%0.25CC..EExtended strand (participates in β ladder)trans-127.4140.4172.763.2-174.58.200110.9R86 Y87 K88 V131 S132 T134 E143R86-Q141 HydrophobicContact CG-CB 4.07Å; Y87-Q141 CarbonylContact O-C 3.48Å; Y87-Q141 WeakPolarHBondContact O-CA 3.49Å; K88-Q141 HydrophobicContact CG-CB 4.28Å; V131-Q141 CarbonylContact C-O 3.58Å; V131-Q141 WeakPolarHBondContact CA-O 3.43Å; S132-Q141 PolarHBondContact N-O 3.46Å; S132-Q141 PolarHBondContact O-N 2.81Å; S132-Q141 WeakPolarHBondContact OG-CG 3.21Å; S132-Q141 PolarHBondContact OG-NE2 3.11Å; S132-Q141 VanDerWaalsContact OG-NE2 3.07Å; T134-Q141 HydrophobicContact CG2-CB 3.7Å; T134-Q141 HydrophobicContact CG2-CG 3.81Å; Q141-E143 HydrophobicContact CG-CG 4.49Å; Q141-E143 PolarHBondContact NE2-OE1 3.32Å
142I97.1Very high95.1Very high0 Ų047.1 Ų47.10%027%0.271CS..EExtended strand (participates in β ladder)trans-112.6120.6174.2-60.9177.6000107.3R86 Y87 L89 M125 V129 K130 V131 V150 C153 A154 V157R86-I142 CarbonylContact C-O 3.59Å; R86-I142 WeakPolarHBondContact CA-O 3.2Å; Y87-I142 PolarHBondContact N-O 2.86Å; Y87-I142 PolarHBondContact O-N 2.77Å; L89-I142 HydrophobicContact CD1-CD1 3.69Å; L89-I142 HydrophobicContact CD1-CG1 3.93Å; M125-I142 HydrophobicContact SD-CD1 4.42Å; V129-I142 HydrophobicContact CG1-CG2 3.27Å; K130-I142 WeakPolarHBondContact O-CA 3.38Å; V131-I142 HydrophobicContact CB-CG1 4.35Å; V131-I142 HydrophobicContact CG2-CG1 4.07Å; I142-V150 HydrophobicContact CG2-CG1 4.18Å; I142-C153 HydrophobicContact CD1-CB 4.39Å; I142-C153 HydrophobicContact CG2-CB 4.19Å; I142-A154 HydrophobicContact CD1-CB 4.12Å; I142-V157 HydrophobicContact CD1-CG2 4.28Å
143E95.9Very high95.2Very high46 Ų4645.1 Ų45.122%0.21526%0.258CS..EExtended strand (participates in β ladder)trans-119.5144.1-176.2-59-170.2166.600111.6Y85 R86 V129 K130 Q141 I183Y85-E143 VanDerWaalsContact O-CA 3.31Å; Y85-E143 WeakPolarHBondContact O-CA 3.28Å; R86-E143 HydrophobicContact CB-CG 4.31Å; R86-E143 HydrophobicContact CG-CG 4.07Å; R86-E143 IonicContact CZ-OE1 3.44Å; R86-E143 IonicContact NE-OE1 3.64Å; R86-E143 PolarHBondContact NE-OE1 3.19Å; R86-E143 IonicContact NH2-OE1 3.96Å; R86-E143 PolarHBondContact NH2-OE1 3.46Å; V129-E143 CarbonylContact C-O 3.58Å; V129-E143 VanDerWaalsContact CA-O 3.26Å; V129-E143 WeakPolarHBondContact CA-O 3.49Å; K130-E143 PolarHBondContact N-O 2.65Å; K130-E143 PolarHBondContact O-N 3.35Å; Q141-E143 HydrophobicContact CG-CG 4.49Å; Q141-E143 PolarHBondContact NE2-OE1 3.32Å; E143-I183 HydrophobicContact CB-CD1 4.14Å; E143-I183 HydrophobicContact CG-CD1 3.76Å; E143-I183 WeakPolarHBondContact OE1-CD1 3.23Å
144G95.5Very high95.3Very high7 Ų742.3 Ų42.37%0.07223%0.234CC..EExtended strand (participates in β ladder)trans-178165.8174.100000112.5Y85Y85-G144 PolarHBondContact N-O 2.75Å; Y85-G144 PolarHBondContact O-N 2.89Å
145N95.5Very high95.6Very high35 Ų3542.2 Ų42.219%0.18724%0.237CC..SBendtrans-83.1-26.7179.7-66.3-12.8000112.2R31 L34 G80 Y85R31-N145 PolarHBondContact NE-OD1 3.33Å; R31-N145 VanDerWaalsContact NE-OD1 3.14Å; R31-N145 PolarHBondContact O-ND2 2.91Å; L34-N145 HydrophobicContact CD1-CB 4.49Å; L34-N145 HydrophobicContact CD2-CB 4.22Å; G80-N145 WeakPolarHBondContact CA-O 3.04Å; Y85-N145 WeakPolarHBondContact CD2-O 3.18Å
146D96.1Very high95.9Very high32 Ų3241.6 Ų41.617%0.17122%0.215CC..  trans-97112.9179.8-169.3-23.4000111L34 E148 K149 V150L34-D146 HydrophobicContact CD2-CB 4Å; D146-E148 PolarHBondContact O-N 3.46Å; D146-E148 PolarHBondContact OD1-N 3.2Å; D146-K149 HydrophobicContact CB-CB 4.15Å; D146-K149 HydrophobicContact CB-CD 4.07Å; D146-K149 HydrophobicContact CB-CG 3.86Å; D146-K149 PolarHBondContact O-N 2.93Å; D146-V150 WeakPolarHBondContact O-CG2 3.32Å; D146-V150 PolarHBondContact O-N 2.83Å
147I96.1Very high96.1Very high33 Ų3337.8 Ų37.817%0.16919%0.192CC..Hα-helixtrans-58.4-33.3-179.5-163.9172000112.7N76 Y85 A151N76-I147 HydrophobicContact CB-CG2 3.82Å; Y85-I147 HydrophobicContact CD1-CB 4.28Å; Y85-I147 HydrophobicContact CD1-CD1 4.02Å; Y85-I147 HydrophobicContact CD1-CG1 4.03Å; Y85-I147 HydrophobicContact CD2-CB 3.77Å; Y85-I147 HydrophobicContact CD2-CG1 4.37Å; Y85-I147 HydrophobicContact CE1-CB 4.13Å; Y85-I147 HydrophobicContact CE1-CD1 3.64Å; Y85-I147 HydrophobicContact CE1-CG1 4.03Å; Y85-I147 HydrophobicContact CE2-CB 3.61Å; Y85-I147 HydrophobicContact CE2-CG1 4.38Å; Y85-I147 HydrophobicContact CE2-CG2 4.48Å; Y85-I147 HydrophobicContact CG-CB 4.1Å; Y85-I147 HydrophobicContact CG-CG1 4.19Å; I147-A151 WeakPolarHBondContact O-CB 3.25Å; I147-A151 PolarHBondContact O-N 2.85Å
148E96.3Very high96.2Very high75 Ų7534.1 Ų34.135%0.3518%0.177SC..Hα-helixtrans-71.9-42.4-176.7-64.2-166.3159.600111R36 H73 D146 K152R36-E148 VanDerWaalsContact CZ-CD 3.45Å; R36-E148 IonicContact CZ-OE1 2.85Å; R36-E148 IonicContact CZ-OE2 3.78Å; R36-E148 IonicContact NH1-OE1 3.34Å; R36-E148 PolarHBondContact NH1-OE1 3.39Å; R36-E148 IonicContact NH1-OE2 3.97Å; R36-E148 PolarHBondContact NH1-OE2 3.04Å; R36-E148 VanDerWaalsContact NH2-CD 3.28Å; R36-E148 IonicContact NH2-OE1 3.13Å; R36-E148 PolarHBondContact NH2-OE1 3.24Å; R36-E148 IonicContact NH2-OE2 2.65Å; R36-E148 PolarHBondContact NH2-OE2 2.82Å; R36-E148 VanDerWaalsContact NH2-OE2 3.12Å; H73-E148 IonicContact CE1-OE1 3.52Å; H73-E148 PolarHBondContact CE1-OE1 3.06Å; H73-E148 IonicContact ND1-OE1 3.87Å; H73-E148 PolarHBondContact ND1-OE1 3.4Å; H73-E148 VanDerWaalsContact ND1-OE1 3.08Å; H73-E148 IonicContact NE2-OE1 2.8Å; D146-E148 PolarHBondContact O-N 3.46Å; D146-E148 PolarHBondContact OD1-N 3.2Å; E148-K152 WeakPolarHBondContact O-CB 3.42Å; E148-K152 PolarHBondContact O-N 2.88Å
149K96.7Very high96.3Very high56 Ų5637.7 Ų37.724%0.24319%0.193CC..Hα-helixtrans-64.9-45.9175.8-58.2-167.3173.6-179.70110.9E126 S127 V129 D146 K152 C153E126-K149 HydrophobicContact CB-CB 4.25Å; E126-K149 HydrophobicContact CB-CD 4.23Å; E126-K149 WeakPolarHBondContact OE2-CG 3.49Å; S127-K149 WeakPolarHBondContact O-CD 3.34Å; S127-K149 PolarHBondContact O-NZ 2.82Å; S127-K149 PolarHBondContact OG-NZ 3.09Å; V129-K149 HydrophobicContact CG2-CB 3.52Å; D146-K149 HydrophobicContact CB-CB 4.15Å; D146-K149 HydrophobicContact CB-CD 4.07Å; D146-K149 HydrophobicContact CB-CG 3.86Å; D146-K149 PolarHBondContact O-N 2.93Å; K149-K152 PolarHBondContact O-N 2.89Å; K149-C153 WeakPolarHBondContact O-CB 3.34Å; K149-C153 PolarHBondContact O-N 3.37Å; K149-C153 PolarHBondContact O-SG 2.85Å
150V97Very high96.1Very high0 Ų038.2 Ų38.20%020%0.199CC..Hα-helixtrans-59.9-49.5177.6171.80000110.6Y87 V129 I142 D146 K152 C153 A154Y87-V150 HydrophobicContact CD1-CG1 3.89Å; Y87-V150 HydrophobicContact CD2-CG1 4.29Å; Y87-V150 HydrophobicContact CE1-CG1 4.33Å; Y87-V150 HydrophobicContact CG-CG1 3.87Å; V129-V150 HydrophobicContact CG1-CG2 4.3Å; V129-V150 HydrophobicContact CG2-CG2 3.99Å; I142-V150 HydrophobicContact CG2-CG1 4.18Å; D146-V150 WeakPolarHBondContact O-CG2 3.32Å; D146-V150 PolarHBondContact O-N 2.83Å; V150-K152 PolarHBondContact O-N 3.4Å; V150-C153 PolarHBondContact O-N 3.14Å; V150-A154 WeakPolarHBondContact O-CB 3.47Å; V150-A154 PolarHBondContact O-N 2.9Å
151A96.8Very high95.9Very high35 Ų3538.3 Ų38.329%0.28920%0.199SC..Hα-helixtrans-64.8-39.2179.400000112.2Y87 I147 A154 A155Y87-A151 HydrophobicContact CE2-CB 3.83Å; I147-A151 WeakPolarHBondContact O-CB 3.25Å; I147-A151 PolarHBondContact O-N 2.85Å; A151-A154 PolarHBondContact O-N 3.13Å; A151-A155 WeakPolarHBondContact O-CB 3.43Å; A151-A155 PolarHBondContact O-N 3.34Å
152K96.9Very high95.6Very high109 Ų10945.4 Ų45.447%0.47423%0.225SC..Hα-helixtrans-65.2-44.3176.1-178.6175.2170.3-1630111.6E126 E148 K149 V150 A155 L156E126-K152 WeakPolarHBondContact OE1-CD 3.44Å; E126-K152 WeakPolarHBondContact OE1-CE 3.44Å; E126-K152 IonicContact OE1-NZ 3.38Å; E126-K152 PolarHBondContact OE1-NZ 2.82Å; E148-K152 WeakPolarHBondContact O-CB 3.42Å; E148-K152 PolarHBondContact O-N 2.88Å; K149-K152 PolarHBondContact O-N 2.89Å; V150-K152 PolarHBondContact O-N 3.4Å; K152-A155 PolarHBondContact O-N 2.78Å; K152-L156 HydrophobicContact CG-CD1 4.37Å; K152-L156 WeakPolarHBondContact O-CG 3.35Å; K152-L156 PolarHBondContact O-N 3.39Å
153C97.2Very high95.3Very high0 Ų046.3 Ų46.30%023%0.23CC..Hα-helixtrans-60.4-46.9175.5-66.70000111.1M125 E126 V129 I142 K149 V150 A155 L156 V157M125-C153 HydrophobicContact SD-CB 3.81Å; E126-C153 PolarHBondContact N-SG 3.47Å; V129-C153 HydrophobicContact CG1-CB 4.24Å; I142-C153 HydrophobicContact CD1-CB 4.39Å; I142-C153 HydrophobicContact CG2-CB 4.19Å; K149-C153 WeakPolarHBondContact O-CB 3.34Å; K149-C153 PolarHBondContact O-N 3.37Å; K149-C153 PolarHBondContact O-SG 2.85Å; V150-C153 PolarHBondContact O-N 3.14Å; C153-A155 VanDerWaalsContact C-N 3.31Å; C153-A155 PolarHBondContact O-N 2.87Å; C153-L156 PolarHBondContact O-N 3.4Å; C153-V157 WeakPolarHBondContact O-CG2 3.36Å; C153-V157 PolarHBondContact O-N 3.48Å
154A96.9Very high94.9Very high1 Ų152.8 Ų52.81%0.00825%0.253CS..Hα-helixtrans-59.6-41.5175.600000112.3Y87 L89 I142 V150 A151 V157 Q158 V177Y87-A154 HydrophobicContact CD2-CB 3.9Å; L89-A154 HydrophobicContact CD1-CB 4.15Å; L89-A154 HydrophobicContact CD2-CB 4.27Å; I142-A154 HydrophobicContact CD1-CB 4.12Å; V150-A154 WeakPolarHBondContact O-CB 3.47Å; V150-A154 PolarHBondContact O-N 2.9Å; A151-A154 PolarHBondContact O-N 3.13Å; A154-V157 PolarHBondContact O-N 3.04Å; A154-Q158 PolarHBondContact O-N 3.34Å; A154-V177 HydrophobicContact CB-CG2 4.16Å
155A97.1Very high94.6Very high36 Ų3661.8 Ų61.830%0.29829%0.293SS..Hα-helixtrans-65.2-39.8176.400000112.3A151 K152 C153 Q158 Q159A151-A155 WeakPolarHBondContact O-CB 3.43Å; A151-A155 PolarHBondContact O-N 3.34Å; K152-A155 PolarHBondContact O-N 2.78Å; C153-A155 VanDerWaalsContact C-N 3.31Å; C153-A155 PolarHBondContact O-N 2.87Å; A155-Q158 PolarHBondContact O-N 3.48Å; A155-Q159 VanDerWaalsContact O-CB 3.28Å; A155-Q159 WeakPolarHBondContact O-CB 3.25Å; A155-Q159 WeakPolarHBondContact O-CG 3.46Å; A155-Q159 PolarHBondContact O-N 3.25Å
156L96.7Very high94.2Very high66 Ų6664.7 Ų64.735%0.34630%0.303SS..Hα-helixtrans-63.3-41.7176.2-73.1172.4000111.7V123 K152 C153 Q159 S160V123-L156 HydrophobicContact CG1-CB 3.92Å; K152-L156 HydrophobicContact CG-CD1 4.37Å; K152-L156 WeakPolarHBondContact O-CG 3.35Å; K152-L156 PolarHBondContact O-N 3.39Å; C153-L156 PolarHBondContact O-N 3.4Å; L156-Q159 PolarHBondContact O-N 2.9Å; L156-S160 WeakPolarHBondContact O-CB 3.37Å; L156-S160 PolarHBondContact O-N 3.39Å
157V96.2Very high93.9Very high0 Ų066.1 Ų66.10%031%0.311CS..Hα-helixtrans-58.5-52.8173.7172.60000110.4L89 L109 I111 V123 M125 I142 C153 A154 Q159 S160 C161 I175L89-V157 HydrophobicContact CD2-CB 4.11Å; L89-V157 HydrophobicContact CD2-CG1 3.89Å; L109-V157 HydrophobicContact CD2-CB 4.42Å; L109-V157 HydrophobicContact CD2-CG1 3.78Å; L109-V157 HydrophobicContact CD2-CG2 3.68Å; I111-V157 HydrophobicContact CD1-CG1 4.19Å; V123-V157 HydrophobicContact CB-CG2 4.22Å; V123-V157 HydrophobicContact CG1-CG2 3.85Å; V123-V157 HydrophobicContact CG2-CG2 4.44Å; M125-V157 HydrophobicContact CE-CG2 4.17Å; I142-V157 HydrophobicContact CD1-CG2 4.28Å; C153-V157 WeakPolarHBondContact O-CG2 3.36Å; C153-V157 PolarHBondContact O-N 3.48Å; A154-V157 PolarHBondContact O-N 3.04Å; V157-Q159 VanDerWaalsContact C-N 3.35Å; V157-Q159 PolarHBondContact O-N 2.68Å; V157-S160 PolarHBondContact O-N 3.4Å; V157-S160 PolarHBondContact O-OG 3.23Å; V157-C161 PolarHBondContact O-N 3.33Å; V157-I175 HydrophobicContact CG1-CB 4.12Å; V157-I175 HydrophobicContact CG1-CD1 3.93Å; V157-I175 HydrophobicContact CG1-CG2 3.74Å
158Q95.1Very high93.5Very high83 Ų8369.8 Ų69.839%0.38833%0.33SS..Hα-helixtrans-60.2-42.8178.7-178.3178.23.600112.4A154 A155 S160 C161 R162 I175A154-Q158 PolarHBondContact O-N 3.34Å; A155-Q158 PolarHBondContact O-N 3.48Å; Q158-S160 VanDerWaalsContact C-N 3.34Å; Q158-S160 PolarHBondContact O-N 3.26Å; Q158-C161 CarbonylContact O-C 3.52Å; Q158-C161 PolarHBondContact O-N 3.49Å; Q158-R162 PolarHBondContact O-N 3.39Å; Q158-I175 WeakPolarHBondContact CB-O 3.48Å; Q158-I175 WeakPolarHBondContact CG-O 3.08Å
159Q94.4Very high93Very high126 Ų12675.6 Ų75.659%0.58935%0.349SS*.Hα-helixtrans-68.8-31.4-179.5-74.6176.70.400112.8A155 L156 V157 C161 R162A155-Q159 VanDerWaalsContact O-CB 3.28Å; A155-Q159 WeakPolarHBondContact O-CB 3.25Å; A155-Q159 WeakPolarHBondContact O-CG 3.46Å; A155-Q159 PolarHBondContact O-N 3.25Å; L156-Q159 PolarHBondContact O-N 2.9Å; V157-Q159 VanDerWaalsContact C-N 3.35Å; V157-Q159 PolarHBondContact O-N 2.68Å; Q159-C161 PolarHBondContact O-N 2.91Å; Q159-R162 WeakPolarHBondContact O-CB 3.37Å; Q159-R162 PolarHBondContact O-N 3.03Å
160S92.5Very high92.5Very high32 Ų3280.3 Ų80.322%0.22437%0.369CS..Hα-helixtrans-64.5-30.9175780000112.1I111 K121 L156 V157 Q158I111-S160 WeakPolarHBondContact CD1-OG 3.5Å; K121-S160 VanDerWaalsContact CD-O 3.31Å; K121-S160 WeakPolarHBondContact CD-O 3.4Å; K121-S160 PolarHBondContact NZ-O 2.83Å; L156-S160 WeakPolarHBondContact O-CB 3.37Å; L156-S160 PolarHBondContact O-N 3.39Å; V157-S160 PolarHBondContact O-N 3.4Å; V157-S160 PolarHBondContact O-OG 3.23Å; Q158-S160 VanDerWaalsContact C-N 3.34Å; Q158-S160 PolarHBondContact O-N 3.26Å
161C91.3Very high92.1Very high4 Ų482.5 Ų82.53%0.02738%0.379CS..THydrogen-bonded Turntrans-98.224.9176.4-70.30000113.1F114 V157 Q158 Q159 V163 I175F114-C161 HydrophobicContact CD2-CB 3.93Å; F114-C161 HydrophobicContact CE2-CB 3.62Å; F114-C161 WeakPolarHBondContact CE2-O 3.27Å; F114-C161 VanDerWaalsContact CZ-C 3.45Å; F114-C161 HydrophobicContact CZ-CB 4.06Å; F114-C161 WeakPolarHBondContact CZ-O 3.22Å; V157-C161 PolarHBondContact O-N 3.33Å; Q158-C161 CarbonylContact O-C 3.52Å; Q158-C161 PolarHBondContact O-N 3.49Å; Q159-C161 PolarHBondContact O-N 2.91Å; C161-V163 PolarHBondContact O-N 3.44Å; C161-I175 HydrophobicContact CB-CG1 4.45Å
162R90.6Very high91.8Very high177 Ų17785.7 Ų85.767%0.66839%0.39SS*.  trans-76.5116.3175.2-177173.6179161.80.8110.6Q158 Q159 R164Q158-R162 PolarHBondContact O-N 3.39Å; Q159-R162 WeakPolarHBondContact O-CB 3.37Å; Q159-R162 PolarHBondContact O-N 3.03Å; R162-R164 PolarHBondContact O-N 3.32Å
163V90.3Very high91.6Very high19 Ų1980.6 Ų80.612%0.11537%0.368CS..  trans-62131.4171.5-174.40000110.3F114 L115 C161 K166 F171 D173F114-V163 HydrophobicContact CZ-CG2 3.95Å; L115-V163 HydrophobicContact CD1-CG1 4.08Å; L115-V163 HydrophobicContact CD1-CG2 4.07Å; C161-V163 PolarHBondContact O-N 3.44Å; V163-K166 HydrophobicContact CG1-CB 3.82Å; V163-K166 HydrophobicContact CG1-CD 4.27Å; V163-K166 HydrophobicContact CG1-CG 4.23Å; V163-F171 HydrophobicContact CG1-CB 3.99Å; V163-D173 VanDerWaalsContact CG2-O 3.27Å; V163-D173 WeakPolarHBondContact CG2-O 3.22Å
164R87.9Confident91.5Very high182 Ų18280.6 Ų80.669%0.68737%0.369SS*.  trans-125.3151.6176.7-61-176.6-175.6-172.31109.9R162 K166R162-R164 PolarHBondContact O-N 3.32Å; R164-K166 PolarHBondContact O-N 2.92Å; R164-K166 VanDerWaalsContact O-N 3.11Å
165H88.7Confident91.4Very high197 Ų19780.6 Ų80.691%0.91237%0.369SS*.SBendtrans56.324.4176.4-50.1-74000115.5
166K87.8Confident91.3Very high95 Ų9583.1 Ų83.141%0.41337%0.371SS..SBendtrans-131.1156.3172.6-59.2-167.3177.4-154.40109.6V163 R164 I168 F171V163-K166 HydrophobicContact CG1-CB 3.82Å; V163-K166 HydrophobicContact CG1-CD 4.27Å; V163-K166 HydrophobicContact CG1-CG 4.23Å; R164-K166 PolarHBondContact O-N 2.92Å; R164-K166 VanDerWaalsContact O-N 3.11Å; K166-I168 PolarHBondContact O-N 2.95Å; K166-I168 VanDerWaalsContact O-N 3.11Å; K166-F171 HydrophobicContact CB-CB 4.27Å; K166-F171 HydrophobicContact CB-CD2 3.68Å; K166-F171 HydrophobicContact CB-CE2 4.28Å; K166-F171 HydrophobicContact CB-CG 4.07Å; K166-F171 HydrophobicContact CD-CB 4.41Å; K166-F171 HydrophobicContact CD-CD1 3.83Å; K166-F171 HydrophobicContact CD-CD2 3.8Å; K166-F171 HydrophobicContact CD-CE1 3.99Å; K166-F171 HydrophobicContact CD-CE2 3.96Å; K166-F171 HydrophobicContact CD-CG 3.73Å; K166-F171 HydrophobicContact CD-CZ 4.05Å; K166-F171 HydrophobicContact CG-CD2 4.3Å
167D89.6Confident91.3Very high63 Ų6382.2 Ų82.234%0.33737%0.368SS..  trans-66.5111.8171.1-170.7-21.9000108.8R169 K170 F171D167-R169 PolarHBondContact O-N 3.05Å; D167-R169 VanDerWaalsContact O-N 3.14Å; D167-R169 WeakPolarHBondContact OD1-CB 3.06Å; D167-R169 IonicContact OD1-CZ 3Å; D167-R169 PolarHBondContact OD1-N 3.11Å; D167-R169 IonicContact OD1-NE 2.97Å; D167-R169 PolarHBondContact OD1-NE 2.63Å; D167-R169 VanDerWaalsContact OD1-NE 3.13Å; D167-R169 IonicContact OD1-NH2 3.2Å; D167-R169 IonicContact OD2-CZ 3.2Å; D167-R169 IonicContact OD2-NE 2.87Å; D167-R169 PolarHBondContact OD2-NE 3.16Å; D167-R169 IonicContact OD2-NH2 3.12Å; D167-R169 PolarHBondContact OD2-NH2 2.92Å; D167-K170 PolarHBondContact O-N 2.97Å; D167-F171 PolarHBondContact O-N 2.88Å
168I86.7Confident91.3Very high110 Ų11085.1 Ų85.156%0.56439%0.388SS*.THydrogen-bonded Turntrans-59.6-24-17959.6172.1000112.5K166 K170 F171 L172K166-I168 PolarHBondContact O-N 2.95Å; K166-I168 VanDerWaalsContact O-N 3.11Å; I168-K170 VanDerWaalsContact C-N 3.3Å; I168-F171 CarbonylContact O-C 3.42Å; I168-L172 WeakPolarHBondContact O-CD2 3.44Å; I168-L172 WeakPolarHBondContact O-CG 3.35Å
169R85.9Confident91.3Very high197 Ų19782.7 Ų82.774%0.74338%0.381SS*.THydrogen-bonded Turntrans-72.7-26.8178.7-62.5173.2-68.9-179.21.2112.3D167D167-R169 PolarHBondContact O-N 3.05Å; D167-R169 VanDerWaalsContact O-N 3.14Å; D167-R169 WeakPolarHBondContact OD1-CB 3.06Å; D167-R169 IonicContact OD1-CZ 3Å; D167-R169 PolarHBondContact OD1-N 3.11Å; D167-R169 IonicContact OD1-NE 2.97Å; D167-R169 PolarHBondContact OD1-NE 2.63Å; D167-R169 VanDerWaalsContact OD1-NE 3.13Å; D167-R169 IonicContact OD1-NH2 3.2Å; D167-R169 IonicContact OD2-CZ 3.2Å; D167-R169 IonicContact OD2-NE 2.87Å; D167-R169 PolarHBondContact OD2-NE 3.16Å; D167-R169 IonicContact OD2-NH2 3.12Å; D167-R169 PolarHBondContact OD2-NH2 2.92Å
170K87.9Confident91.3Very high154 Ų15483.6 Ų83.667%0.6738%0.382SS*.THydrogen-bonded Turntrans-91.6-39.7174.7-64.7-173.9179.9-177.50110.8H95 D167 I168H95-K170 PolarHBondContact CE1-O 2.97Å; D167-K170 PolarHBondContact O-N 2.97Å; I168-K170 VanDerWaalsContact C-N 3.3Å
171F88.3Confident91.4Very high46 Ų4685.4 Ų85.420%0.20239%0.388CS..  trans-107.876.2-178.1-64.7-88.3000111H95 L115 V163 K166 D167 I168H95-F171 AromaticContact CD2-CE1 3.72Å; H95-F171 AromaticContact CE1-CD1 3.44Å; H95-F171 VanDerWaalsContact CE1-CD1 3.44Å; H95-F171 WeakPolarHBondContact CE1-CD1 3.21Å; H95-F171 AromaticContact CE1-CE1 3.57Å; H95-F171 AromaticContact CG-CE1 3.95Å; H95-F171 AromaticContact ND1-CD1 3.61Å; H95-F171 AromaticContact ND1-CE1 3.85Å; H95-F171 AromaticContact NE2-CD1 3.84Å; H95-F171 AromaticContact NE2-CE1 3.45Å; H95-F171 WeakPolarHBondContact NE2-CE1 3.43Å; H95-F171 AromaticContact NE2-CZ 3.95Å; L115-F171 HydrophobicContact CD2-CD1 4.17Å; V163-F171 HydrophobicContact CG1-CB 3.99Å; K166-F171 HydrophobicContact CB-CB 4.27Å; K166-F171 HydrophobicContact CB-CD2 3.68Å; K166-F171 HydrophobicContact CB-CE2 4.28Å; K166-F171 HydrophobicContact CB-CG 4.07Å; K166-F171 HydrophobicContact CD-CB 4.41Å; K166-F171 HydrophobicContact CD-CD1 3.83Å; K166-F171 HydrophobicContact CD-CD2 3.8Å; K166-F171 HydrophobicContact CD-CE1 3.99Å; K166-F171 HydrophobicContact CD-CE2 3.96Å; K166-F171 HydrophobicContact CD-CG 3.73Å; K166-F171 HydrophobicContact CD-CZ 4.05Å; K166-F171 HydrophobicContact CG-CD2 4.3Å; D167-F171 PolarHBondContact O-N 2.88Å; I168-F171 CarbonylContact O-C 3.42Å
172L89.8Confident91.4Very high102 Ų10287.6 Ų87.653%0.53440%0.403SS..  trans-86.89.5172.7-69.6172.3000112.8I168 G174 Y176I168-L172 WeakPolarHBondContact O-CD2 3.44Å; I168-L172 WeakPolarHBondContact O-CG 3.35Å; L172-G174 PolarHBondContact O-N 2.82Å; L172-Y176 WeakPolarHBondContact O-CE2 3.31Å; L172-Y176 PolarHBondContact O-OH 2.87Å; L172-Y176 VanDerWaalsContact O-OH 3.09Å
173D93Very high91.2Very high2 Ų280.3 Ų80.31%0.01138%0.377CS..  trans-62.1127.8179.6-56.153.5000110.6V92 Y93 A94 H95 L115 V163V92-D173 CarbonylContact O-C 3.49Å; V92-D173 VanDerWaalsContact O-CA 3.22Å; V92-D173 WeakPolarHBondContact O-CA 3.13Å; Y93-D173 WeakPolarHBondContact CA-OD2 3.31Å; Y93-D173 WeakPolarHBondContact CB-OD2 3.38Å; A94-D173 PolarHBondContact N-OD2 2.92Å; H95-D173 IonicContact CE1-OD1 3.08Å; H95-D173 IonicContact CG-OD2 3.52Å; H95-D173 PolarHBondContact N-OD2 2.79Å; H95-D173 IonicContact ND1-OD1 2.75Å; H95-D173 PolarHBondContact ND1-OD1 2.85Å; H95-D173 IonicContact ND1-OD2 3.93Å; H95-D173 PolarHBondContact ND1-OD2 2.9Å; L115-D173 HydrophobicContact CD2-CB 3.95Å; V163-D173 VanDerWaalsContact CG2-O 3.27Å; V163-D173 WeakPolarHBondContact CG2-O 3.22Å
174G94.1Very high90.7Very high1 Ų187 Ų871%0.0141%0.407CS..EExtended strand (participates in β ladder)trans177-178.6-173.900000113.6S91 V92 L172S91-G174 WeakPolarHBondContact CA-O 3.26Å; V92-G174 PolarHBondContact N-O 3.12Å; V92-G174 PolarHBondContact O-N 3.11Å; V92-G174 VanDerWaalsContact O-O 3.13Å; L172-G174 PolarHBondContact O-N 2.82Å
175I95.6Very high89.5Confident1 Ų180.4 Ų80.41%0.00539%0.392CS..EExtended strand (participates in β ladder)trans-116.1123.2173.6-58.1169.5000107.7L89 K90 I98 M100 I111 V157 Q158 C161L89-I175 HydrophobicContact CB-CG2 3.82Å; L89-I175 HydrophobicContact CD2-CG2 3.9Å; K90-I175 WeakPolarHBondContact O-CA 3.39Å; I98-I175 HydrophobicContact CG2-CD1 4.32Å; I98-I175 HydrophobicContact CG2-CG1 4.38Å; M100-I175 HydrophobicContact CG-CD1 3.83Å; M100-I175 HydrophobicContact CG-CG1 4.49Å; M100-I175 HydrophobicContact SD-CD1 3.63Å; M100-I175 HydrophobicContact SD-CG1 3.9Å; M100-I175 HydrophobicContact SD-CG2 3.84Å; I111-I175 HydrophobicContact CD1-CD1 3.67Å; I111-I175 HydrophobicContact CG1-CD1 3.85Å; I111-I175 HydrophobicContact CG2-CD1 3.98Å; V157-I175 HydrophobicContact CG1-CB 4.12Å; V157-I175 HydrophobicContact CG1-CD1 3.93Å; V157-I175 HydrophobicContact CG1-CG2 3.74Å; Q158-I175 WeakPolarHBondContact CB-O 3.48Å; Q158-I175 WeakPolarHBondContact CG-O 3.08Å; C161-I175 HydrophobicContact CB-CG1 4.45Å
176Y95.9Very high87.7Confident88 Ų8882.2 Ų82.235%0.34541%0.408SS..EExtended strand (participates in β ladder)trans-124.5146.8-172-61.9-82.3000111.4L89 K90 V92 L172 S178L89-Y176 CarbonylContact C-O 3.46Å; L89-Y176 WeakPolarHBondContact CA-O 3.43Å; K90-Y176 PolarHBondContact N-O 2.92Å; K90-Y176 PolarHBondContact O-N 3.36Å; V92-Y176 HydrophobicContact CB-CD2 4.12Å; V92-Y176 HydrophobicContact CB-CE2 4.2Å; V92-Y176 HydrophobicContact CG2-CD2 3.98Å; L172-Y176 WeakPolarHBondContact O-CE2 3.31Å; L172-Y176 PolarHBondContact O-OH 2.87Å; L172-Y176 VanDerWaalsContact O-OH 3.09Å; Y176-S178 PolarHBondContact O-N 3.24Å
177V96.3Very high87.7Confident47 Ų4781.6 Ų81.629%0.28541%0.408SS..EExtended strand (participates in β ladder)trans-70.7116.5172-178.20000109.1Y87 K88 L89 A154 K180Y87-V177 HydrophobicContact CD2-CG1 4.33Å; K88-V177 CarbonylContact O-C 3.53Å; K88-V177 WeakPolarHBondContact O-CA 3.47Å; L89-V177 HydrophobicContact CD2-CG2 4.3Å; L89-V177 HydrophobicContact CG-CG2 4.09Å; A154-V177 HydrophobicContact CB-CG2 4.16Å; V177-K180 HydrophobicContact CG1-CG 3.97Å
178S94.5Very high87.6Confident61 Ų6182.5 Ų82.543%0.42741%0.411SS..EExtended strand (participates in β ladder)trans-90.1-42.6-179.658.10000112.2K88 Y176K88-S178 WeakPolarHBondContact CB-OG 3.45Å; K88-S178 PolarHBondContact O-N 3.2Å; K88-S178 PolarHBondContact O-OG 2.85Å; Y176-S178 PolarHBondContact O-N 3.24Å
179S95.6Very high87.6Confident32 Ų3281 Ų8122%0.22440%0.403CS..EExtended strand (participates in β ladder)trans-142.9155.4177.581.80000112.3Y87 K88 E181Y87-S179 WeakPolarHBondContact CA-O 3.45Å; K88-S179 WeakPolarHBondContact CD-OG 3.09Å; K88-S179 PolarHBondContact N-O 3.28Å; K88-S179 PolarHBondContact O-N 3.18Å; S179-E181 PolarHBondContact OG-OE1 3.42Å
180K95.5Very high87.7Confident145 Ų14574.2 Ų74.263%0.6338%0.383SS*.EExtended strand (participates in β ladder)trans-127.2113.7173.6-62.1178.4-176.51730107.6Y87 V177Y87-K180 HydrophobicContact CD1-CB 4.06Å; Y87-K180 HydrophobicContact CD1-CG 3.89Å; Y87-K180 HydrophobicContact CD2-CG 4.23Å; Y87-K180 HydrophobicContact CE1-CB 3.89Å; Y87-K180 HydrophobicContact CE1-CD 4.05Å; Y87-K180 HydrophobicContact CE1-CG 3.76Å; Y87-K180 HydrophobicContact CE2-CD 4.02Å; Y87-K180 HydrophobicContact CE2-CG 4.13Å; Y87-K180 HydrophobicContact CG-CG 4.13Å; V177-K180 HydrophobicContact CG1-CG 3.97Å
181E94Very high87.7Confident71 Ų7169.2 Ų69.233%0.33237%0.365SS..EExtended strand (participates in β ladder)trans-124.9158.2-173.3-69.7163.8-150.100109.7R86 K88 S179R86-E181 HydrophobicContact CB-CB 4.45Å; R86-E181 PolarHBondContact N-O 3.11Å; R86-E181 PolarHBondContact O-N 3.38Å; K88-E181 IonicContact NZ-OE1 2.69Å; K88-E181 PolarHBondContact NZ-OE1 2.75Å; K88-E181 IonicContact NZ-OE2 3.86Å; K88-E181 PolarHBondContact NZ-OE2 2.83Å; S179-E181 PolarHBondContact OG-OE1 3.42Å
182S90.9Very high87.7Confident50 Ų5070.7 Ų70.735%0.3538%0.376SS..EExtended strand (participates in β ladder)trans-105.9124.7167-52.40000106.3K79 G84K79-S182 WeakPolarHBondContact CE-OG 3.3Å; K79-S182 PolarHBondContact NZ-OG 2.97Å; G84-S182 WeakPolarHBondContact O-CA 3.49Å
183I87.8Confident87.5Confident23 Ų2368.5 Ų68.512%0.11836%0.364CS..PPolyproline II helixtrans-81.8152.9175.9-40.1172000106.4S83 G84 R86 E143S83-I183 CarbonylContact C-O 3.59Å; S83-I183 WeakPolarHBondContact CA-O 3.28Å; S83-I183 WeakPolarHBondContact CB-O 3.22Å; S83-I183 CarbonylContact O-C 3.56Å; G84-I183 PolarHBondContact O-N 3.45Å; R86-I183 HydrophobicContact CB-CD1 3.75Å; R86-I183 HydrophobicContact CB-CG1 3.54Å; E143-I183 HydrophobicContact CB-CD1 4.14Å; E143-I183 HydrophobicContact CG-CD1 3.76Å; E143-I183 WeakPolarHBondContact OE1-CD1 3.23Å
184E77.8Confident87.1Confident159 Ų15973.6 Ų73.674%0.74339%0.392SS*.PPolyproline II helixtrans-91.3159.6164.3-69.2-172.816100109.9R31 N186R31-E184 PolarHBondContact NH1-O 3.46Å; E184-N186 PolarHBondContact O-N 3.12Å
185A63Low86.5Confident45 Ų4579.7 Ų79.737%0.37242%0.423SS..PPolyproline II helixtrans-70.2126.4165.600000107.8R31R31-A185 HydrophobicContact CG-CB 3.83Å
186N51.4Low85.7Confident234 Ų23486.8 Ų86.8100%1.25146%0.461SS*.  trans-69.10161.5-70.9-14.5000109.6E184E184-N186 PolarHBondContact O-N 3.12Å

Retrieved 186 of 186 residues in 39.6 ms (Link to these results)

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