G4VH08_SCHMA Loading...

UPF0538 protein C2orf76 homolog

AlphaFold DB , UniProt , Accession G4VH08, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 124 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M50.9Low88.3Confident241 Ų24154.4 Ų54.4100%1.18730%0.301SS*.  0118.60-70.1-179.2173.900106.8Q3M1-Q3 PolarHBondContact O-N 2.7Å
2S69.1Low89Confident82 Ų8249.9 Ų49.957%0.57328%0.276SS*.PPolyproline II helixtrans-65.8124.217341.90000108.5S4 S29S2-S4 PolarHBondContact O-N 3.35Å; S2-S29 WeakPolarHBondContact CB-OG 3.3Å
3Q86.3Confident89.5Confident139 Ų13954 Ų5465%0.6529%0.285SS*.PPolyproline II helixtrans-66.5130.1176.7-70.2-164.20.800109.3M1 Q30M1-Q3 PolarHBondContact O-N 2.7Å; Q3-Q30 PolarHBondContact O-N 3.19Å
4S93.5Very high89.9Confident78 Ų7851.5 Ų51.555%0.54527%0.274SS..EExtended strand (participates in β ladder)trans-86.3133.5171.7-66.10000109.2S2 I28S2-S4 PolarHBondContact O-N 3.35Å; S4-I28 CarbonylContact C-O 3.58Å; S4-I28 WeakPolarHBondContact CA-O 3.31Å
5I95.2Very high90.1Very high4 Ų448.5 Ų48.52%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-122.2156.3-178.863.6169.8000111.1V7 N27 I28 Q30 L94 I99 N101I5-V7 HydrophobicContact CD1-CG2 3.81Å; I5-V7 HydrophobicContact CG1-CG2 4.05Å; I5-N27 PolarHBondContact O-N 2.89Å; I5-I28 HydrophobicContact CG1-CB 4.1Å; I5-I28 HydrophobicContact CG1-CG2 4.38Å; I5-I28 WeakPolarHBondContact CG1-O 3.47Å; I5-I28 PolarHBondContact N-O 3.19Å; I5-I28 PolarHBondContact O-N 3.46Å; I5-I28 VanDerWaalsContact O-N 3.11Å; I5-Q30 HydrophobicContact CD1-CB 4.48Å; I5-Q30 HydrophobicContact CG2-CB 4.19Å; I5-L94 HydrophobicContact CD1-CD1 4.48Å; I5-I99 HydrophobicContact CD1-CG2 4.48Å; I5-N101 HydrophobicContact CB-CB 4.1Å; I5-N101 HydrophobicContact CG2-CB 3.93Å
6T95.9Very high90.2Very high40 Ų4050 Ų5025%0.24526%0.261CS..EExtended strand (participates in β ladder)trans-98.1130.3165.4-61.40000108.9L25 N101 E102T6-L25 CarbonylContact C-O 3.25Å; T6-L25 VanDerWaalsContact CA-O 3.32Å; T6-L25 WeakPolarHBondContact CA-O 3.46Å; T6-N101 PolarHBondContact N-OD1 2.78Å; T6-E102 VanDerWaalsContact CB-OE1 3.31Å; T6-E102 WeakPolarHBondContact CB-OE1 3.37Å; T6-E102 WeakPolarHBondContact CG2-OE1 3.45Å; T6-E102 PolarHBondContact O-N 3.48Å
7V96Very high90.3Very high0 Ų054.8 Ų54.80%028%0.276CS..EExtended strand (participates in β ladder)trans-118103.3178-176.80000108.4I5 V9 L25 I28 I99 V105I5-V7 HydrophobicContact CD1-CG2 3.81Å; I5-V7 HydrophobicContact CG1-CG2 4.05Å; V7-V9 HydrophobicContact CG1-CG2 4.15Å; V7-V9 PolarHBondContact O-N 3.41Å; V7-L25 PolarHBondContact N-O 3.28Å; V7-L25 PolarHBondContact O-N 2.96Å; V7-I28 HydrophobicContact CG2-CB 4.41Å; V7-I28 HydrophobicContact CG2-CG1 4.3Å; V7-I99 HydrophobicContact CG1-CG2 4.5Å; V7-I99 HydrophobicContact CG2-CG2 4.24Å; V7-V105 HydrophobicContact CG1-CG1 4.32Å; V7-V105 HydrophobicContact CG1-CG2 3.74Å
8P95.6Very high90.4Very high6 Ų657.3 Ų57.34%0.03928%0.282CS..EExtended strand (participates in β ladder)trans-58.4116.1164.8-29.139.2000111.2Y22 E104 V105P8-Y22 HydrophobicContact CB-CE2 3.84Å; P8-Y22 VanDerWaalsContact CB-OH 3.3Å; P8-Y22 WeakPolarHBondContact CB-OH 3.34Å; P8-E104 HydrophobicContact CB-CB 4.11Å; P8-E104 HydrophobicContact CB-CG 3.97Å; P8-E104 WeakPolarHBondContact O-CA 3.47Å; P8-V105 PolarHBondContact O-N 3.27Å
9V96.3Very high90.6Very high0 Ų056.6 Ų56.60%028%0.281CS..EExtended strand (participates in β ladder)trans-109.4122.8177.5-172.40000110.5V7 L11 L23 L25 I41 V105 V107V7-V9 HydrophobicContact CG1-CG2 4.15Å; V7-V9 PolarHBondContact O-N 3.41Å; V9-L11 HydrophobicContact CG1-CD2 4Å; V9-L23 WeakPolarHBondContact CA-O 3.39Å; V9-L23 HydrophobicContact CB-CB 4.32Å; V9-L23 WeakPolarHBondContact CB-O 3.29Å; V9-L23 PolarHBondContact N-O 2.88Å; V9-L23 PolarHBondContact O-N 3.29Å; V9-L25 HydrophobicContact CG2-CD1 3.96Å; V9-L25 HydrophobicContact CG2-CG 4.09Å; V9-I41 HydrophobicContact CG1-CD1 3.99Å; V9-I41 HydrophobicContact CG1-CG1 4.41Å; V9-I41 HydrophobicContact CG2-CD1 4.2Å; V9-I41 HydrophobicContact CG2-CG1 4.33Å; V9-V105 WeakPolarHBondContact CA-O 3.36Å; V9-V105 HydrophobicContact CB-CG2 4.34Å; V9-V105 HydrophobicContact CG1-CG2 4.24Å; V9-V105 HydrophobicContact CG2-CG2 3.93Å; V9-V107 HydrophobicContact CG1-CG1 4.14Å; V9-V107 HydrophobicContact CG1-CG2 3.65Å
10T95.8Very high90.8Very high8 Ų857.1 Ų57.15%0.04929%0.288CS..EExtended strand (participates in β ladder)trans-95.4111.5167.9-72.70000109.3I12 T20 R66 E104 V105 A106 V107T10-I12 HydrophobicContact CG2-CG1 4.07Å; T10-T20 HydrophobicContact CG2-CG2 4.1Å; T10-R66 PolarHBondContact OG1-NH1 3.28Å; T10-E104 PolarHBondContact OG1-OE1 2.85Å; T10-V105 PolarHBondContact N-O 3.08Å; T10-A106 CarbonylContact O-C 3.53Å; T10-A106 VanDerWaalsContact O-CA 3.3Å; T10-A106 WeakPolarHBondContact O-CA 2.99Å; T10-V107 PolarHBondContact O-N 3.03Å
11L97.1Very high91Very high0 Ų055.3 Ų55.30%028%0.28CS..EExtended strand (participates in β ladder)trans-79.8116.2172.3-51.8177.6000108.6V9 T20 S21 L23 I41 V45 I51 F55 Y60 V107V9-L11 HydrophobicContact CG1-CD2 4Å; L11-T20 CarbonylContact O-C 3.5Å; L11-T20 WeakPolarHBondContact O-CA 3.46Å; L11-S21 WeakPolarHBondContact CB-O 3.43Å; L11-S21 PolarHBondContact N-O 3.23Å; L11-S21 PolarHBondContact O-N 3.18Å; L11-L23 HydrophobicContact CD1-CB 4.31Å; L11-L23 HydrophobicContact CD2-CD2 4.34Å; L11-L23 HydrophobicContact CG-CB 4.3Å; L11-I41 HydrophobicContact CD2-CG2 4.09Å; L11-V45 HydrophobicContact CD1-CG2 3.68Å; L11-V45 HydrophobicContact CD2-CG2 4.03Å; L11-I51 HydrophobicContact CD1-CD1 3.92Å; L11-I51 HydrophobicContact CD1-CG2 4.28Å; L11-F55 HydrophobicContact CB-CD1 3.97Å; L11-F55 HydrophobicContact CB-CE1 4.36Å; L11-F55 HydrophobicContact CD1-CD1 4.5Å; L11-Y60 HydrophobicContact CB-CE1 3.9Å; L11-Y60 HydrophobicContact CD2-CE1 4.23Å; L11-V107 HydrophobicContact CD2-CG2 3.41Å; L11-V107 VanDerWaalsContact CD2-CG2 3.41Å
12I96.7Very high93.1Very high1 Ų149.7 Ų49.71%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-99.9113.6175.2-55.2174.9000108.3T10 F15 T20 L58 L78 I79 A106 V107 F108T10-I12 HydrophobicContact CG2-CG1 4.07Å; I12-F15 HydrophobicContact CD1-CE1 3.93Å; I12-F15 HydrophobicContact CD1-CZ 4.3Å; I12-F15 HydrophobicContact CG2-CD1 4.12Å; I12-F15 HydrophobicContact CG2-CD2 4.3Å; I12-F15 HydrophobicContact CG2-CE1 4.07Å; I12-F15 HydrophobicContact CG2-CE2 4.25Å; I12-F15 HydrophobicContact CG2-CG 4.23Å; I12-F15 HydrophobicContact CG2-CZ 4.14Å; I12-T20 HydrophobicContact CG1-CG2 4.02Å; I12-L58 WeakPolarHBondContact O-CD2 3.29Å; I12-L78 HydrophobicContact CD1-CB 4.28Å; I12-I79 HydrophobicContact CD1-CG2 3.53Å; I12-A106 HydrophobicContact CD1-CB 3.85Å; I12-A106 HydrophobicContact CG1-CB 4.48Å; I12-V107 PolarHBondContact N-O 2.93Å; I12-F108 HydrophobicContact CB-CB 4.14Å; I12-F108 HydrophobicContact CD1-CD1 4.19Å
13R95.7Very high94.4Very high103 Ų10346.2 Ų46.239%0.38922%0.222SC..EExtended strand (participates in β ladder)trans-84.9-38.2174.8-179.2-171.6177.4-92-3.2111.9T19 P54 F55R13-T19 HydrophobicContact CB-CG2 4.29Å; R13-T19 PolarHBondContact N-O 3.39Å; R13-P54 PolarHBondContact NE-O 2.68Å; R13-F55 HydrophobicContact CB-CD1 3.84Å; R13-F55 HydrophobicContact CB-CE1 3.52Å; R13-F55 HydrophobicContact CB-CG 4.49Å; R13-F55 HydrophobicContact CB-CZ 3.95Å
14S94Very high94.8Very high19 Ų1943 Ų4313%0.13321%0.213CC..EExtended strand (participates in β ladder)trans-146.9123.3180-179.20000110.5K16 Y17 R18 T19S14-K16 PolarHBondContact OG-N 3.28Å; S14-Y17 WeakPolarHBondContact OG-CD2 3.35Å; S14-Y17 PolarHBondContact OG-N 3.08Å; S14-Y17 VanDerWaalsContact OG-N 3.16Å; S14-R18 CarbonylContact O-C 3.55Å; S14-R18 VanDerWaalsContact O-CA 3.28Å; S14-R18 WeakPolarHBondContact O-CA 3.21Å; S14-R18 PolarHBondContact O-N 3.28Å; S14-T19 PolarHBondContact N-O 3.18Å; S14-T19 PolarHBondContact O-N 3.45Å
15F93Very high95Very high7 Ų739.4 Ų39.43%0.03119%0.188CC..THydrogen-bonded Turntrans-68.2-48169.1-67.2-83.5000111.2I12 Y17 R18 L78 I79 F108 D112 F113 Q116I12-F15 HydrophobicContact CD1-CE1 3.93Å; I12-F15 HydrophobicContact CD1-CZ 4.3Å; I12-F15 HydrophobicContact CG2-CD1 4.12Å; I12-F15 HydrophobicContact CG2-CD2 4.3Å; I12-F15 HydrophobicContact CG2-CE1 4.07Å; I12-F15 HydrophobicContact CG2-CE2 4.25Å; I12-F15 HydrophobicContact CG2-CG 4.23Å; I12-F15 HydrophobicContact CG2-CZ 4.14Å; F15-Y17 VanDerWaalsContact C-N 3.34Å; F15-Y17 PolarHBondContact O-N 3.11Å; F15-R18 PolarHBondContact O-N 3.33Å; F15-R18 VanDerWaalsContact O-N 3.08Å; F15-L78 HydrophobicContact CB-CD1 4.38Å; F15-L78 HydrophobicContact CD1-CD1 3.95Å; F15-I79 HydrophobicContact CE1-CD1 3.7Å; F15-I79 HydrophobicContact CE1-CG1 3.94Å; F15-I79 HydrophobicContact CZ-CD1 4.04Å; F15-F108 HydrophobicContact CE2-CB 3.83Å; F15-F108 HydrophobicContact CE2-CD2 4.11Å; F15-F108 HydrophobicContact CE2-CG 4.03Å; F15-F108 HydrophobicContact CZ-CB 3.73Å; F15-F108 AromaticContact CZ-CD1 3.89Å; F15-F108 HydrophobicContact CZ-CD1 3.89Å; F15-F108 AromaticContact CZ-CD2 3.74Å; F15-F108 HydrophobicContact CZ-CD2 3.74Å; F15-F108 HydrophobicContact CZ-CE1 4.43Å; F15-F108 HydrophobicContact CZ-CE2 4.27Å; F15-F108 AromaticContact CZ-CG 3.52Å; F15-F108 HydrophobicContact CZ-CG 3.52Å; F15-D112 HydrophobicContact CD2-CB 4.08Å; F15-D112 HydrophobicContact CE2-CB 4.2Å; F15-F113 HydrophobicContact CE1-CD2 4.22Å; F15-F113 HydrophobicContact CE2-CB 3.85Å; F15-F113 HydrophobicContact CZ-CB 3.87Å; F15-F113 AromaticContact CZ-CD2 3.99Å; F15-F113 HydrophobicContact CZ-CD2 3.99Å; F15-F113 HydrophobicContact CZ-CG 4.46Å; F15-Q116 HydrophobicContact CB-CB 3.8Å; F15-Q116 HydrophobicContact CB-CG 3.56Å; F15-Q116 HydrophobicContact CD1-CG 4.41Å; F15-Q116 HydrophobicContact CD2-CB 4.41Å; F15-Q116 HydrophobicContact CG-CB 4.05Å; F15-Q116 HydrophobicContact CG-CG 4.1Å
16K91.7Very high95Very high72 Ų7241.8 Ų41.831%0.31321%0.205SC..THydrogen-bonded Turntrans-54.5-45.5-178.5-164.3170.1-147.9-163.20113.2S14 Q116 E121 L123S14-K16 PolarHBondContact OG-N 3.28Å; K16-Q116 VanDerWaalsContact N-OE1 3.16Å; K16-E121 WeakPolarHBondContact CE-OE2 3.36Å; K16-E121 IonicContact NZ-OE2 2.76Å; K16-E121 PolarHBondContact NZ-OE2 3.45Å; K16-L123 HydrophobicContact CD-CD1 3.5Å; K16-L123 HydrophobicContact CD-CG 3.8Å; K16-L123 VanDerWaalsContact CE-CD1 3.44Å; K16-L123 VanDerWaalsContact CE-CG 3.48Å; K16-L123 HydrophobicContact CG-CB 4.11Å; K16-L123 HydrophobicContact CG-CD1 3.84Å; K16-L123 HydrophobicContact CG-CG 3.66Å; K16-L123 PolarHBondContact O-N 2.89Å
17Y92.7Very high95Very high131 Ų13145.9 Ų45.951%0.51423%0.225SC..THydrogen-bonded Turntrans-98.85.8179.9-60.9-74.5000113.7S14 F15 T19 L123S14-Y17 WeakPolarHBondContact OG-CD2 3.35Å; S14-Y17 PolarHBondContact OG-N 3.08Å; S14-Y17 VanDerWaalsContact OG-N 3.16Å; F15-Y17 VanDerWaalsContact C-N 3.34Å; F15-Y17 PolarHBondContact O-N 3.11Å; Y17-T19 PolarHBondContact O-N 2.88Å; Y17-T19 VanDerWaalsContact O-N 3.09Å; Y17-T19 PolarHBondContact O-OG1 2.92Å; Y17-L123 HydrophobicContact CD1-CB 3.99Å; Y17-L123 HydrophobicContact CE1-CB 3.8Å; Y17-L123 HydrophobicContact CE1-CD1 3.76Å; Y17-L123 HydrophobicContact CE1-CG 4.43Å
18R91.3Very high95Very high100 Ų10046.5 Ų46.538%0.37723%0.228SC..THydrogen-bonded Turntrans48.738.6-176.9-51.1-173.8179.8105.7-7.5114.2S14 F15 T20 L78 F122S14-R18 CarbonylContact O-C 3.55Å; S14-R18 VanDerWaalsContact O-CA 3.28Å; S14-R18 WeakPolarHBondContact O-CA 3.21Å; S14-R18 PolarHBondContact O-N 3.28Å; F15-R18 PolarHBondContact O-N 3.33Å; F15-R18 VanDerWaalsContact O-N 3.08Å; R18-T20 PolarHBondContact O-N 3.46Å; R18-L78 HydrophobicContact CB-CD1 4.24Å; R18-L78 HydrophobicContact CB-CD2 4.27Å; R18-L78 HydrophobicContact CB-CG 4.4Å; R18-L78 HydrophobicContact CG-CD1 4.05Å; R18-L78 HydrophobicContact CG-CG 4.4Å; R18-F122 HydrophobicContact CG-CD1 4.19Å
19T93.8Very high95Very high45 Ų4547.8 Ų47.828%0.27624%0.237SC..EExtended strand (participates in β ladder)trans-86.4112.1-177-50.30000109.9R13 S14 Y17 F55R13-T19 HydrophobicContact CB-CG2 4.29Å; R13-T19 PolarHBondContact N-O 3.39Å; S14-T19 PolarHBondContact N-O 3.18Å; S14-T19 PolarHBondContact O-N 3.45Å; Y17-T19 PolarHBondContact O-N 2.88Å; Y17-T19 VanDerWaalsContact O-N 3.09Å; Y17-T19 PolarHBondContact O-OG1 2.92Å; T19-F55 HydrophobicContact CG2-CE2 4.25Å; T19-F55 HydrophobicContact CG2-CZ 3.79Å
20T95.2Very high94.7Very high66 Ų6649.3 Ų49.341%0.40524%0.244SC..EExtended strand (participates in β ladder)trans-128158-178.262.70000113.3T10 L11 I12 R18 F55 L78T10-T20 HydrophobicContact CG2-CG2 4.1Å; L11-T20 CarbonylContact O-C 3.5Å; L11-T20 WeakPolarHBondContact O-CA 3.46Å; I12-T20 HydrophobicContact CG1-CG2 4.02Å; R18-T20 PolarHBondContact O-N 3.46Å; T20-F55 VanDerWaalsContact C-CE1 3.45Å; T20-F55 WeakPolarHBondContact O-CZ 3.44Å; T20-L78 HydrophobicContact CG2-CD2 3.29Å
21S95.4Very high94.7Very high19 Ų1952.4 Ų52.413%0.13327%0.266CS..EExtended strand (participates in β ladder)trans-136.7150.2169.6-173.10000109.3L11 F55L11-S21 WeakPolarHBondContact CB-O 3.43Å; L11-S21 PolarHBondContact N-O 3.23Å; L11-S21 PolarHBondContact O-N 3.18Å; S21-F55 VanDerWaalsContact CB-CE1 3.44Å; S21-F55 VanDerWaalsContact N-CE1 3.29Å
22Y95Very high94.7Very high124 Ų12453 Ų5349%0.48627%0.271SS..EExtended strand (participates in β ladder)trans-105.5132.5-175.6-176.2-108.7000110.7P8 P24P8-Y22 HydrophobicContact CB-CE2 3.84Å; P8-Y22 VanDerWaalsContact CB-OH 3.3Å; P8-Y22 WeakPolarHBondContact CB-OH 3.34Å; Y22-P24 HydrophobicContact CD1-CG 4.29Å; Y22-P24 HydrophobicContact CE1-CB 3.82Å; Y22-P24 HydrophobicContact CE1-CG 3.77Å
23L95.8Very high94.7Very high9 Ų954.4 Ų54.45%0.04728%0.28CS..EExtended strand (participates in β ladder)trans-134.993.7-179.4176.562.7000109.3V9 L11 L25 I41 E44 V45 I51V9-L23 WeakPolarHBondContact CA-O 3.39Å; V9-L23 HydrophobicContact CB-CB 4.32Å; V9-L23 WeakPolarHBondContact CB-O 3.29Å; V9-L23 PolarHBondContact N-O 2.88Å; V9-L23 PolarHBondContact O-N 3.29Å; L11-L23 HydrophobicContact CD1-CB 4.31Å; L11-L23 HydrophobicContact CD2-CD2 4.34Å; L11-L23 HydrophobicContact CG-CB 4.3Å; L23-L25 HydrophobicContact CD1-CD2 4.05Å; L23-L25 HydrophobicContact CD2-CD2 4.14Å; L23-L25 HydrophobicContact CG-CD2 3.85Å; L23-L25 HydrophobicContact CG-CG 4.22Å; L23-L25 PolarHBondContact O-N 3Å; L23-I41 HydrophobicContact CD2-CG2 4.38Å; L23-E44 HydrophobicContact CD1-CB 4.11Å; L23-E44 HydrophobicContact CD2-CB 4.08Å; L23-V45 HydrophobicContact CD2-CG2 3.91Å; L23-I51 HydrophobicContact CB-CD1 4.24Å; L23-I51 HydrophobicContact CD1-CD1 4.26Å
24P95.4Very high94.8Very high72 Ų7249.5 Ų49.547%0.46826%0.262SS..EExtended strand (participates in β ladder)trans-74.7127.1173.529.4-30.2000109.8Y22Y22-P24 HydrophobicContact CD1-CG 4.29Å; Y22-P24 HydrophobicContact CE1-CB 3.82Å; Y22-P24 HydrophobicContact CE1-CG 3.77Å
25L97.1Very high95Very high2 Ų253.6 Ų53.61%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-111.8121.3176-62.9-175.8000110.7T6 V7 V9 L23 I28 L37 R40 I41 E44T6-L25 CarbonylContact C-O 3.25Å; T6-L25 VanDerWaalsContact CA-O 3.32Å; T6-L25 WeakPolarHBondContact CA-O 3.46Å; V7-L25 PolarHBondContact N-O 3.28Å; V7-L25 PolarHBondContact O-N 2.96Å; V9-L25 HydrophobicContact CG2-CD1 3.96Å; V9-L25 HydrophobicContact CG2-CG 4.09Å; L23-L25 HydrophobicContact CD1-CD2 4.05Å; L23-L25 HydrophobicContact CD2-CD2 4.14Å; L23-L25 HydrophobicContact CG-CD2 3.85Å; L23-L25 HydrophobicContact CG-CG 4.22Å; L23-L25 PolarHBondContact O-N 3Å; L25-I28 HydrophobicContact CB-CD1 4.16Å; L25-I28 HydrophobicContact CB-CG1 4.17Å; L25-I28 HydrophobicContact CD1-CD1 4.45Å; L25-L37 HydrophobicContact CD1-CD1 4.04Å; L25-R40 HydrophobicContact CD1-CB 4.48Å; L25-R40 HydrophobicContact CD1-CG 3.95Å; L25-R40 HydrophobicContact CD2-CG 4.37Å; L25-I41 HydrophobicContact CD1-CG1 3.52Å; L25-E44 HydrophobicContact CD2-CB 4.15Å; L25-E44 HydrophobicContact CD2-CG 3.73Å
26S95.3Very high95.2Very high54 Ų5457.1 Ų57.138%0.37830%0.296SS..EExtended strand (participates in β ladder)trans-105.4166.7175.860.60000112I28 R40S26-I28 VanDerWaalsContact C-N 3.27Å; S26-I28 PolarHBondContact O-N 3.09Å; S26-R40 PolarHBondContact O-NH1 3.4Å
27N95.6Very high95.5Very high126 Ų12653.8 Ų53.867%0.67428%0.282SS*.EExtended strand (participates in β ladder)trans59.436.5179.2-57.2-35.6000113.1I5I5-N27 PolarHBondContact O-N 2.89Å
28I96.1Very high95.7Very high12 Ų1247.7 Ų47.76%0.06226%0.258CS..EExtended strand (participates in β ladder)trans-85.1131.3172-57.2-75.7000107.7S4 I5 V7 L25 S26 Q30 A32 L37 R40 L94S4-I28 CarbonylContact C-O 3.58Å; S4-I28 WeakPolarHBondContact CA-O 3.31Å; I5-I28 HydrophobicContact CG1-CB 4.1Å; I5-I28 HydrophobicContact CG1-CG2 4.38Å; I5-I28 WeakPolarHBondContact CG1-O 3.47Å; I5-I28 PolarHBondContact N-O 3.19Å; I5-I28 PolarHBondContact O-N 3.46Å; I5-I28 VanDerWaalsContact O-N 3.11Å; V7-I28 HydrophobicContact CG2-CB 4.41Å; V7-I28 HydrophobicContact CG2-CG1 4.3Å; L25-I28 HydrophobicContact CB-CD1 4.16Å; L25-I28 HydrophobicContact CB-CG1 4.17Å; L25-I28 HydrophobicContact CD1-CD1 4.45Å; S26-I28 VanDerWaalsContact C-N 3.27Å; S26-I28 PolarHBondContact O-N 3.09Å; I28-Q30 PolarHBondContact O-N 3.43Å; I28-A32 HydrophobicContact CG2-CB 4.37Å; I28-L37 HydrophobicContact CD1-CD1 3.99Å; I28-R40 HydrophobicContact CD1-CB 4.47Å; I28-R40 HydrophobicContact CD1-CG 4.08Å; I28-L94 HydrophobicContact CG2-CD1 3.42Å; I28-L94 VanDerWaalsContact CG2-CD1 3.42Å
29S95.7Very high96Very high34 Ų3447.3 Ų47.324%0.23826%0.264CS..EExtended strand (participates in β ladder)trans-68.3130.9170.9-176.80000109.7S2 S31 A32S2-S29 WeakPolarHBondContact CB-OG 3.3Å; S29-S31 PolarHBondContact O-N 3.39Å; S29-S31 PolarHBondContact OG-N 2.69Å; S29-S31 PolarHBondContact OG-OG 2.88Å; S29-A32 WeakPolarHBondContact O-CB 3.25Å; S29-A32 PolarHBondContact O-N 3.1Å
30Q90.9Very high96.2Very high31 Ų3148.9 Ų48.915%0.14526%0.264CS..THydrogen-bonded Turntrans-60-25.8174.4179.1168-26.200112.9Q3 I5 I28 A32 E95Q3-Q30 PolarHBondContact O-N 3.19Å; I5-Q30 HydrophobicContact CD1-CB 4.48Å; I5-Q30 HydrophobicContact CG2-CB 4.19Å; I28-Q30 PolarHBondContact O-N 3.43Å; Q30-A32 VanDerWaalsContact C-N 3.3Å; Q30-E95 HydrophobicContact CG-CB 4.07Å; Q30-E95 PolarHBondContact NE2-OE1 3.45Å; Q30-E95 PolarHBondContact O-N 3.18Å
31S95Very high96.3Very high73 Ų7345.8 Ų45.851%0.5125%0.245SC..THydrogen-bonded Turntrans-85.41.9175.271.80000113.9S29S29-S31 PolarHBondContact O-N 3.39Å; S29-S31 PolarHBondContact OG-N 2.69Å; S29-S31 PolarHBondContact OG-OG 2.88Å
32A96.5Very high96.4Very high13 Ų1347.6 Ų47.611%0.10725%0.251CS..  trans-63.9155.1177.400000110.8I28 S29 Q30 D36 T93 L94I28-A32 HydrophobicContact CG2-CB 4.37Å; S29-A32 WeakPolarHBondContact O-CB 3.25Å; S29-A32 PolarHBondContact O-N 3.1Å; Q30-A32 VanDerWaalsContact C-N 3.3Å; A32-D36 HydrophobicContact CB-CB 4.12Å; A32-T93 CarbonylContact O-C 3.59Å; A32-T93 VanDerWaalsContact O-CA 3.31Å; A32-T93 WeakPolarHBondContact O-CA 3.43Å; A32-L94 HydrophobicContact CB-CD1 4.2Å; A32-L94 HydrophobicContact CB-CG 4.49Å; A32-L94 WeakPolarHBondContact O-CG 3.41Å; A32-L94 PolarHBondContact O-N 3.04Å
33T97.5Very high96.4Very high31 Ų3146.9 Ų46.919%0.1925%0.252CS..BIsolated β-bridgetrans-83.4164.3173.263.90000111.3K35 D36 L37 L92T33-K35 PolarHBondContact O-N 2.93Å; T33-D36 WeakPolarHBondContact CB-OD2 3.07Å; T33-D36 PolarHBondContact N-OD2 2.93Å; T33-D36 PolarHBondContact O-N 3.49Å; T33-D36 PolarHBondContact OG1-N 2.89Å; T33-D36 VanDerWaalsContact OG1-N 3.1Å; T33-D36 PolarHBondContact OG1-OD2 3.32Å; T33-L37 PolarHBondContact O-N 3.26Å; T33-L37 VanDerWaalsContact O-N 3.12Å; T33-L92 CarbonylContact C-O 3.56Å; T33-L92 WeakPolarHBondContact CA-O 3.3Å
34V98Very high96.5Very high0 Ų048.6 Ų48.60%026%0.26CS..Hα-helixtrans-57.8-39.4169.1172.90000110.6D36 L37 F38 I86 L92 L97V34-D36 PolarHBondContact O-N 3.08Å; V34-L37 WeakPolarHBondContact O-CB 3.3Å; V34-L37 PolarHBondContact O-N 3.49Å; V34-F38 HydrophobicContact CG1-CD2 3.7Å; V34-F38 HydrophobicContact CG1-CE2 3.8Å; V34-F38 WeakPolarHBondContact O-CD2 3.42Å; V34-F38 PolarHBondContact O-N 3.12Å; V34-I86 HydrophobicContact CG1-CG2 4.19Å; V34-I86 HydrophobicContact CG2-CG2 4.06Å; V34-L92 HydrophobicContact CG2-CB 4.45Å; V34-L92 PolarHBondContact N-O 3.43Å; V34-L97 HydrophobicContact CG2-CD1 3.44Å; V34-L97 VanDerWaalsContact CG2-CD1 3.44Å
35K97.9Very high96.6Very high105 Ų10545.3 Ų45.346%0.45724%0.239SC..Hα-helixtrans-57.3-48.6174.9-174.6-177.6174.5-174.90112.5T33 L37 F38 D39 S88 S90T33-K35 PolarHBondContact O-N 2.93Å; K35-L37 VanDerWaalsContact C-N 3.27Å; K35-L37 PolarHBondContact O-N 3.29Å; K35-F38 PolarHBondContact O-N 2.83Å; K35-F38 VanDerWaalsContact O-N 3.13Å; K35-D39 PolarHBondContact O-N 3.19Å; K35-S88 VanDerWaalsContact CA-O 3.3Å; K35-S88 WeakPolarHBondContact CA-O 3.48Å; K35-S90 PolarHBondContact N-O 3.33Å
36D97.3Very high96.5Very high81 Ų8151.9 Ų51.943%0.43327%0.267SS..Hα-helixtrans-60.2-39.2177.4-59.4-47.2000111.8A32 T33 V34 R40A32-D36 HydrophobicContact CB-CB 4.12Å; T33-D36 WeakPolarHBondContact CB-OD2 3.07Å; T33-D36 PolarHBondContact N-OD2 2.93Å; T33-D36 PolarHBondContact O-N 3.49Å; T33-D36 PolarHBondContact OG1-N 2.89Å; T33-D36 VanDerWaalsContact OG1-N 3.1Å; T33-D36 PolarHBondContact OG1-OD2 3.32Å; V34-D36 PolarHBondContact O-N 3.08Å; D36-R40 PolarHBondContact O-N 3.49Å; D36-R40 VanDerWaalsContact O-N 3.11Å
37L97.8Very high96.5Very high1 Ų153.2 Ų53.21%0.00527%0.273CS..Hα-helixtrans-63.7-43.6175.7178.263.8000111.3L25 I28 T33 V34 K35 R40 I41 L63 L94L25-L37 HydrophobicContact CD1-CD1 4.04Å; I28-L37 HydrophobicContact CD1-CD1 3.99Å; T33-L37 PolarHBondContact O-N 3.26Å; T33-L37 VanDerWaalsContact O-N 3.12Å; V34-L37 WeakPolarHBondContact O-CB 3.3Å; V34-L37 PolarHBondContact O-N 3.49Å; K35-L37 VanDerWaalsContact C-N 3.27Å; K35-L37 PolarHBondContact O-N 3.29Å; L37-R40 WeakPolarHBondContact O-CB 3.46Å; L37-R40 PolarHBondContact O-N 3.3Å; L37-I41 HydrophobicContact CD1-CD1 4.24Å; L37-I41 HydrophobicContact CD1-CG1 4.45Å; L37-I41 HydrophobicContact CD2-CD1 4.5Å; L37-I41 HydrophobicContact CG-CD1 3.89Å; L37-I41 VanDerWaalsContact O-CG1 3.27Å; L37-I41 WeakPolarHBondContact O-CG1 3.16Å; L37-I41 PolarHBondContact O-N 2.84Å; L37-L63 HydrophobicContact CD2-CD1 3.82Å; L37-L94 HydrophobicContact CB-CD2 4.16Å; L37-L94 HydrophobicContact CD2-CD2 3.7Å
38F98.2Very high96.4Very high3 Ų348.6 Ų48.61%0.01325%0.251CS..Hα-helixtrans-67.1-39.5177.6-92.7-84.5000113V34 K35 R40 I41 H42 Y60 L63 S88 V107V34-F38 HydrophobicContact CG1-CD2 3.7Å; V34-F38 HydrophobicContact CG1-CE2 3.8Å; V34-F38 WeakPolarHBondContact O-CD2 3.42Å; V34-F38 PolarHBondContact O-N 3.12Å; K35-F38 PolarHBondContact O-N 2.83Å; K35-F38 VanDerWaalsContact O-N 3.13Å; F38-R40 PolarHBondContact O-N 2.85Å; F38-I41 PolarHBondContact O-N 3.11Å; F38-H42 AromaticContact CD1-NE2 3.75Å; F38-H42 WeakPolarHBondContact O-CB 3.49Å; F38-H42 VanDerWaalsContact O-CG 3.3Å; F38-H42 PolarHBondContact O-N 3.41Å; F38-Y60 WeakPolarHBondContact CD1-O 3.43Å; F38-Y60 WeakPolarHBondContact CE1-O 3.42Å; F38-L63 HydrophobicContact CE2-CB 3.69Å; F38-L63 HydrophobicContact CE2-CD1 4.3Å; F38-L63 HydrophobicContact CZ-CB 3.83Å; F38-S88 VanDerWaalsContact CD2-CA 3.44Å; F38-S88 VanDerWaalsContact CD2-CB 3.47Å; F38-V107 HydrophobicContact CE1-CB 4.19Å; F38-V107 HydrophobicContact CE1-CG1 4.08Å; F38-V107 HydrophobicContact CE2-CG1 4.48Å; F38-V107 HydrophobicContact CZ-CB 4.22Å; F38-V107 HydrophobicContact CZ-CG1 3.78Å
39D97.3Very high96.3Very high93 Ų9353.9 Ų53.950%0.49729%0.289SS..Hα-helixtrans-57.7-42.7173.8-75.3-21.2000110.4K35 H43K35-D39 PolarHBondContact O-N 3.19Å; D39-H43 WeakPolarHBondContact O-CB 3.44Å; D39-H43 PolarHBondContact O-N 2.82Å
40R97.1Very high96.2Very high78 Ų7856.1 Ų56.129%0.29431%0.309SS..Hα-helixtrans-64.6-47.6174.1-17565.3-178.5-74.1-2.8112.2L25 S26 I28 D36 L37 F38 H42 H43 E44L25-R40 HydrophobicContact CD1-CB 4.48Å; L25-R40 HydrophobicContact CD1-CG 3.95Å; L25-R40 HydrophobicContact CD2-CG 4.37Å; S26-R40 PolarHBondContact O-NH1 3.4Å; I28-R40 HydrophobicContact CD1-CB 4.47Å; I28-R40 HydrophobicContact CD1-CG 4.08Å; D36-R40 PolarHBondContact O-N 3.49Å; D36-R40 VanDerWaalsContact O-N 3.11Å; L37-R40 WeakPolarHBondContact O-CB 3.46Å; L37-R40 PolarHBondContact O-N 3.3Å; F38-R40 PolarHBondContact O-N 2.85Å; R40-H42 PolarHBondContact O-N 3.32Å; R40-H43 PolarHBondContact O-N 2.87Å; R40-E44 HydrophobicContact CG-CG 4.29Å; R40-E44 IonicContact CZ-OE1 3.32Å; R40-E44 IonicContact NE-OE1 2.82Å; R40-E44 PolarHBondContact NE-OE1 3.36Å; R40-E44 IonicContact NH2-OE1 2.92Å; R40-E44 PolarHBondContact NH2-OE1 2.91Å; R40-E44 WeakPolarHBondContact O-CB 3.27Å; R40-E44 VanDerWaalsContact O-CG 3.23Å; R40-E44 WeakPolarHBondContact O-CG 3.5Å; R40-E44 PolarHBondContact O-N 2.94Å
41I97.6Very high96.4Very high0 Ų054.9 Ų54.90%030%0.303CS..Hα-helixtrans-57.9-48.7178.3-70.9166000110.3V9 L11 L23 L25 L37 F38 H43 E44 V45 V107V9-I41 HydrophobicContact CG1-CD1 3.99Å; V9-I41 HydrophobicContact CG1-CG1 4.41Å; V9-I41 HydrophobicContact CG2-CD1 4.2Å; V9-I41 HydrophobicContact CG2-CG1 4.33Å; L11-I41 HydrophobicContact CD2-CG2 4.09Å; L23-I41 HydrophobicContact CD2-CG2 4.38Å; L25-I41 HydrophobicContact CD1-CG1 3.52Å; L37-I41 HydrophobicContact CD1-CD1 4.24Å; L37-I41 HydrophobicContact CD1-CG1 4.45Å; L37-I41 HydrophobicContact CD2-CD1 4.5Å; L37-I41 HydrophobicContact CG-CD1 3.89Å; L37-I41 VanDerWaalsContact O-CG1 3.27Å; L37-I41 WeakPolarHBondContact O-CG1 3.16Å; L37-I41 PolarHBondContact O-N 2.84Å; F38-I41 PolarHBondContact O-N 3.11Å; I41-H43 VanDerWaalsContact C-N 3.32Å; I41-H43 PolarHBondContact O-N 3.2Å; I41-E44 PolarHBondContact O-N 3.13Å; I41-V45 HydrophobicContact CG2-CG2 4.03Å; I41-V45 VanDerWaalsContact O-CB 3.28Å; I41-V45 WeakPolarHBondContact O-CB 3.44Å; I41-V45 WeakPolarHBondContact O-CG2 3.42Å; I41-V45 PolarHBondContact O-N 2.89Å; I41-V107 HydrophobicContact CD1-CG1 3.85Å; I41-V107 HydrophobicContact CD1-CG2 4.48Å; I41-V107 HydrophobicContact CG2-CG2 4.36Å
42H96.9Very high96.4Very high57 Ų5753.9 Ų53.926%0.26430%0.295SS..Hα-helixtrans-63.8-38.1-178.9-70171.7000112.3F38 R40 K46 Y60F38-H42 AromaticContact CD1-NE2 3.75Å; F38-H42 WeakPolarHBondContact O-CB 3.49Å; F38-H42 VanDerWaalsContact O-CG 3.3Å; F38-H42 PolarHBondContact O-N 3.41Å; R40-H42 PolarHBondContact O-N 3.32Å; H42-K46 VanDerWaalsContact O-CG 3.29Å; H42-K46 WeakPolarHBondContact O-CG 3.46Å; H42-K46 PolarHBondContact O-N 3.34Å; H42-Y60 PolarHBondContact CE1-O 2.85Å; H42-Y60 PolarHBondContact NE2-O 3.34Å
43H96.4Very high96.2Very high110 Ų11058 Ų5851%0.50932%0.321SS..Hα-helixtrans-60.5-56173.1-17984.4000110.8D39 R40 I41 V45 K46 T47D39-H43 WeakPolarHBondContact O-CB 3.44Å; D39-H43 PolarHBondContact O-N 2.82Å; R40-H43 PolarHBondContact O-N 2.87Å; I41-H43 VanDerWaalsContact C-N 3.32Å; I41-H43 PolarHBondContact O-N 3.2Å; H43-V45 PolarHBondContact O-N 3.11Å; H43-K46 PolarHBondContact O-N 3.38Å; H43-K46 VanDerWaalsContact O-N 3.15Å; H43-T47 WeakPolarHBondContact O-CG2 3.2Å; H43-T47 PolarHBondContact O-N 3.25Å; H43-T47 PolarHBondContact O-OG1 2.81Å
44E96.9Very high96.1Very high44 Ų4459.8 Ų59.821%0.20633%0.333CS..Hα-helixtrans-65.4-38.1-175.1-64.9-75.9178.300112.3L23 L25 R40 I41 K46 T47 S48L23-E44 HydrophobicContact CD1-CB 4.11Å; L23-E44 HydrophobicContact CD2-CB 4.08Å; L25-E44 HydrophobicContact CD2-CB 4.15Å; L25-E44 HydrophobicContact CD2-CG 3.73Å; R40-E44 HydrophobicContact CG-CG 4.29Å; R40-E44 IonicContact CZ-OE1 3.32Å; R40-E44 IonicContact NE-OE1 2.82Å; R40-E44 PolarHBondContact NE-OE1 3.36Å; R40-E44 IonicContact NH2-OE1 2.92Å; R40-E44 PolarHBondContact NH2-OE1 2.91Å; R40-E44 WeakPolarHBondContact O-CB 3.27Å; R40-E44 VanDerWaalsContact O-CG 3.23Å; R40-E44 WeakPolarHBondContact O-CG 3.5Å; R40-E44 PolarHBondContact O-N 2.94Å; I41-E44 PolarHBondContact O-N 3.13Å; E44-K46 VanDerWaalsContact C-N 3.28Å; E44-K46 PolarHBondContact O-N 3.04Å; E44-T47 PolarHBondContact O-N 3.13Å; E44-S48 WeakPolarHBondContact O-CA 3.27Å; E44-S48 WeakPolarHBondContact O-CB 3.31Å; E44-S48 PolarHBondContact O-N 3.18Å
45V97Very high96.1Very high3 Ų360.3 Ų60.32%0.01834%0.335CS..Hα-helixtrans-59.1-40.5174.4163.50000111.4L11 L23 I41 H43 I51 K56 Y60L11-V45 HydrophobicContact CD1-CG2 3.68Å; L11-V45 HydrophobicContact CD2-CG2 4.03Å; L23-V45 HydrophobicContact CD2-CG2 3.91Å; I41-V45 HydrophobicContact CG2-CG2 4.03Å; I41-V45 VanDerWaalsContact O-CB 3.28Å; I41-V45 WeakPolarHBondContact O-CB 3.44Å; I41-V45 WeakPolarHBondContact O-CG2 3.42Å; I41-V45 PolarHBondContact O-N 2.89Å; H43-V45 PolarHBondContact O-N 3.11Å; V45-I51 HydrophobicContact CG1-CG2 4.31Å; V45-K56 WeakPolarHBondContact O-CE 3.47Å; V45-K56 WeakPolarHBondContact O-CG 3.49Å; V45-Y60 HydrophobicContact CG1-CE2 4.21Å; V45-Y60 HydrophobicContact CG2-CE2 4.42Å
46K95.3Very high95.9Very high141 Ų14158 Ų5861%0.61333%0.325SS*.Hα-helixtrans-73.6-46.8179.9-72.5173.9-178.4175.90111.4H42 H43 E44 K56H42-K46 VanDerWaalsContact O-CG 3.29Å; H42-K46 WeakPolarHBondContact O-CG 3.46Å; H42-K46 PolarHBondContact O-N 3.34Å; H43-K46 PolarHBondContact O-N 3.38Å; H43-K46 VanDerWaalsContact O-N 3.15Å; E44-K46 VanDerWaalsContact C-N 3.28Å; E44-K46 PolarHBondContact O-N 3.04Å; K46-K56 PolarHBondContact O-NZ 3.24Å
47T95.4Very high95.6Very high82 Ų8261.4 Ų61.450%0.50334%0.343SS..Hα-helixtrans-85.8-31.8-169.357.50000113.8H43 E44 S49H43-T47 WeakPolarHBondContact O-CG2 3.2Å; H43-T47 PolarHBondContact O-N 3.25Å; H43-T47 PolarHBondContact O-OG1 2.81Å; E44-T47 PolarHBondContact O-N 3.13Å; T47-S49 PolarHBondContact O-N 2.61Å
48S94.4Very high95.4Very high28 Ų2862.4 Ų62.420%0.19635%0.349CS..  trans-66.8131.2-176.9-179.70000111.8E44 A50 K56E44-S48 WeakPolarHBondContact O-CA 3.27Å; E44-S48 WeakPolarHBondContact O-CB 3.31Å; E44-S48 PolarHBondContact O-N 3.18Å; S48-A50 VanDerWaalsContact C-N 3.26Å; S48-A50 PolarHBondContact OG-N 2.7Å; S48-K56 VanDerWaalsContact O-CE 3.31Å; S48-K56 WeakPolarHBondContact O-CE 3.41Å; S48-K56 PolarHBondContact O-NZ 2.78Å
49S92.9Very high95.3Very high124 Ų12465.6 Ų65.687%0.86737%0.37SS*.THydrogen-bonded Turntrans-74.4-17.8171.954.60000112.7T47 I51T47-S49 PolarHBondContact O-N 2.61Å; S49-I51 VanDerWaalsContact C-N 3.32Å
50A93.1Very high95.3Very high80 Ų8061.2 Ų61.266%0.66135%0.347SS*.THydrogen-bonded Turntrans-76.2-20.4179.100000113S48 P52S48-A50 VanDerWaalsContact C-N 3.26Å; S48-A50 PolarHBondContact OG-N 2.7Å; A50-P52 WeakPolarHBondContact O-CD 3.37Å
51I95.7Very high95.3Very high5 Ų559.7 Ų59.73%0.02635%0.345CS..SBendtrans-85.1120.8-179.5-59-57000110.1L11 L23 V45 S49 F55 K56L11-I51 HydrophobicContact CD1-CD1 3.92Å; L11-I51 HydrophobicContact CD1-CG2 4.28Å; L23-I51 HydrophobicContact CB-CD1 4.24Å; L23-I51 HydrophobicContact CD1-CD1 4.26Å; V45-I51 HydrophobicContact CG1-CG2 4.31Å; S49-I51 VanDerWaalsContact C-N 3.32Å; I51-F55 HydrophobicContact CG2-CB 3.71Å; I51-K56 HydrophobicContact CG2-CG 4.15Å; I51-K56 WeakPolarHBondContact O-CE 3.38Å
52P94.4Very high95.4Very high52 Ų5259.7 Ų59.734%0.33835%0.345SS..  trans-63.4145.8-178.1-20.832000112.1A50 P54 F55A50-P52 WeakPolarHBondContact O-CD 3.37Å; P52-P54 VanDerWaalsContact C-N 3.31Å; P52-P54 VanDerWaalsContact O-N 3.11Å; P52-F55 HydrophobicContact CB-CD2 3.96Å; P52-F55 HydrophobicContact CB-CE2 4.39Å; P52-F55 HydrophobicContact CG-CD2 4.08Å; P52-F55 HydrophobicContact CG-CE2 4.25Å; P52-F55 WeakPolarHBondContact O-CB 3.36Å; P52-F55 PolarHBondContact O-N 2.97Å
53P94.1Very high95.4Very high99 Ų9957 Ų5764%0.64333%0.332SS*.Hα-helixtrans-49.5-39.2-178.6-25.632.1000115.5F55 K56P53-F55 PolarHBondContact O-N 2.86Å; P53-F55 VanDerWaalsContact O-N 3.1Å; P53-K56 PolarHBondContact O-N 3.43Å
54P94.5Very high95.4Very high69 Ų6952.6 Ų52.645%0.44831%0.312SS..Hα-helixtrans-61.8-18.3178.4-25.135.6000115.4R13 P52R13-P54 PolarHBondContact NE-O 2.68Å; P52-P54 VanDerWaalsContact C-N 3.31Å; P52-P54 VanDerWaalsContact O-N 3.11Å
55F96.9Very high95.2Very high11 Ų1152.4 Ų52.45%0.04831%0.313CS..Hα-helixtrans-90.2-23177.1-70.5-100.6000112.3L11 R13 T19 T20 S21 I51 P52 P53 N57 L58 Y60L11-F55 HydrophobicContact CB-CD1 3.97Å; L11-F55 HydrophobicContact CB-CE1 4.36Å; L11-F55 HydrophobicContact CD1-CD1 4.5Å; R13-F55 HydrophobicContact CB-CD1 3.84Å; R13-F55 HydrophobicContact CB-CE1 3.52Å; R13-F55 HydrophobicContact CB-CG 4.49Å; R13-F55 HydrophobicContact CB-CZ 3.95Å; T19-F55 HydrophobicContact CG2-CE2 4.25Å; T19-F55 HydrophobicContact CG2-CZ 3.79Å; T20-F55 VanDerWaalsContact C-CE1 3.45Å; T20-F55 WeakPolarHBondContact O-CZ 3.44Å; S21-F55 VanDerWaalsContact CB-CE1 3.44Å; S21-F55 VanDerWaalsContact N-CE1 3.29Å; I51-F55 HydrophobicContact CG2-CB 3.71Å; P52-F55 HydrophobicContact CB-CD2 3.96Å; P52-F55 HydrophobicContact CB-CE2 4.39Å; P52-F55 HydrophobicContact CG-CD2 4.08Å; P52-F55 HydrophobicContact CG-CE2 4.25Å; P52-F55 WeakPolarHBondContact O-CB 3.36Å; P52-F55 PolarHBondContact O-N 2.97Å; P53-F55 PolarHBondContact O-N 2.86Å; P53-F55 VanDerWaalsContact O-N 3.1Å; F55-N57 PolarHBondContact O-N 3.22Å; F55-L58 PolarHBondContact O-N 3.48Å; F55-Y60 WeakPolarHBondContact CB-OH 3.31Å; F55-Y60 WeakPolarHBondContact CD1-OH 3.32Å; F55-Y60 WeakPolarHBondContact O-CE2 3.44Å; F55-Y60 PolarHBondContact O-OH 2.86Å
56K95.3Very high94.7Very high57 Ų5755.1 Ų55.125%0.24832%0.323CS..Hα-helixtrans-71.2-29.2-173.3-60.4-160.6170.9-161.10114.1V45 K46 S48 I51 P53V45-K56 WeakPolarHBondContact O-CE 3.47Å; V45-K56 WeakPolarHBondContact O-CG 3.49Å; K46-K56 PolarHBondContact O-NZ 3.24Å; S48-K56 VanDerWaalsContact O-CE 3.31Å; S48-K56 WeakPolarHBondContact O-CE 3.41Å; S48-K56 PolarHBondContact O-NZ 2.78Å; I51-K56 HydrophobicContact CG2-CG 4.15Å; I51-K56 WeakPolarHBondContact O-CE 3.38Å; P53-K56 PolarHBondContact O-N 3.43Å
57N90.1Very high94.1Very high152 Ų15250 Ų5081%0.81330%0.302SS*.THydrogen-bonded Turntrans-95.31.7-177.1-63.1-22.9000113.1F55F55-N57 PolarHBondContact O-N 3.22Å
58L94.3Very high93.2Very high23 Ų2351.2 Ų51.212%0.1230%0.3CS..  trans-80.7137.5178.2-161.679.5000110.3I12 F55 Y60 R109I12-L58 WeakPolarHBondContact O-CD2 3.29Å; F55-L58 PolarHBondContact O-N 3.48Å; L58-Y60 HydrophobicContact CB-CD2 4.49Å; L58-Y60 HydrophobicContact CB-CE1 4.49Å; L58-Y60 HydrophobicContact CB-CE2 3.89Å; L58-Y60 HydrophobicContact CD2-CD1 3.95Å; L58-Y60 HydrophobicContact CD2-CE1 3.42Å; L58-Y60 VanDerWaalsContact CD2-CE1 3.42Å; L58-Y60 HydrophobicContact CD2-CE2 4.32Å; L58-Y60 HydrophobicContact CG-CE1 4.45Å; L58-Y60 WeakPolarHBondContact O-CD2 3.28Å; L58-Y60 PolarHBondContact O-N 2.96Å; L58-R109 VanDerWaalsContact CD1-NH2 3.35Å
59C94.8Very high92.1Very high69 Ų6950.6 Ų50.647%0.46630%0.296SS..  trans-82.9102.4169.5-172.90000108.6R109C59-R109 WeakPolarHBondContact O-CB 3.37Å
60Y98Very high90.6Very high1 Ų154.3 Ų54.30%0.00430%0.297CS..  trans-85.4112.8169.8-56.5-85.9000108.2L11 F38 H42 V45 F55 L58 V107L11-Y60 HydrophobicContact CB-CE1 3.9Å; L11-Y60 HydrophobicContact CD2-CE1 4.23Å; F38-Y60 WeakPolarHBondContact CD1-O 3.43Å; F38-Y60 WeakPolarHBondContact CE1-O 3.42Å; H42-Y60 PolarHBondContact CE1-O 2.85Å; H42-Y60 PolarHBondContact NE2-O 3.34Å; V45-Y60 HydrophobicContact CG1-CE2 4.21Å; V45-Y60 HydrophobicContact CG2-CE2 4.42Å; F55-Y60 WeakPolarHBondContact CB-OH 3.31Å; F55-Y60 WeakPolarHBondContact CD1-OH 3.32Å; F55-Y60 WeakPolarHBondContact O-CE2 3.44Å; F55-Y60 PolarHBondContact O-OH 2.86Å; L58-Y60 HydrophobicContact CB-CD2 4.49Å; L58-Y60 HydrophobicContact CB-CE1 4.49Å; L58-Y60 HydrophobicContact CB-CE2 3.89Å; L58-Y60 HydrophobicContact CD2-CD1 3.95Å; L58-Y60 HydrophobicContact CD2-CE1 3.42Å; L58-Y60 VanDerWaalsContact CD2-CE1 3.42Å; L58-Y60 HydrophobicContact CD2-CE2 4.32Å; L58-Y60 HydrophobicContact CG-CE1 4.45Å; L58-Y60 WeakPolarHBondContact O-CD2 3.28Å; L58-Y60 PolarHBondContact O-N 2.96Å; Y60-V107 HydrophobicContact CD1-CB 4.32Å; Y60-V107 HydrophobicContact CD1-CG2 3.83Å; Y60-V107 HydrophobicContact CE1-CG2 4.43Å; Y60-V107 HydrophobicContact CG-CG2 4.25Å
61D98.3Very high89.2Confident46 Ų4655.5 Ų55.525%0.24629%0.292CS..  trans-132.13.9-174.756.920.3000113.4S88 F108 R109 M110D61-S88 PolarHBondContact O-N 3.45Å; D61-S88 PolarHBondContact O-OG 3.43Å; D61-F108 PolarHBondContact N-O 3.02Å; D61-R109 WeakPolarHBondContact OD1-CA 3.33Å; D61-M110 WeakPolarHBondContact OD1-CB 3.49Å; D61-M110 PolarHBondContact OD1-N 3.07Å
62A98.2Very high87.5Confident0 Ų061.6 Ų61.60%033%0.33CS..EExtended strand (participates in β ladder)trans-139.5145.517800000112.1P85 I86 V107 F108 M110A62-P85 HydrophobicContact CB-CB 3.94Å; A62-I86 CarbonylContact C-O 3.56Å; A62-I86 WeakPolarHBondContact CA-O 3.48Å; A62-V107 VanDerWaalsContact O-CA 3.28Å; A62-V107 WeakPolarHBondContact O-CA 3.36Å; A62-F108 HydrophobicContact CB-CD2 3.71Å; A62-F108 HydrophobicContact CB-CE2 3.54Å; A62-F108 HydrophobicContact CB-CZ 4.3Å; A62-F108 PolarHBondContact N-O 3.32Å; A62-F108 PolarHBondContact O-N 2.93Å; A62-M110 HydrophobicContact CB-CB 3.95Å; A62-M110 HydrophobicContact CB-CE 3.77Å; A62-M110 HydrophobicContact CB-SD 3.98Å
63L97.4Very high85.9Confident1 Ų165.8 Ų65.81%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-128.5144.2-179.7171.7147.3000111.6L37 F38 I86 I99 V105 A106 V107L37-L63 HydrophobicContact CD2-CD1 3.82Å; F38-L63 HydrophobicContact CE2-CB 3.69Å; F38-L63 HydrophobicContact CE2-CD1 4.3Å; F38-L63 HydrophobicContact CZ-CB 3.83Å; L63-I86 HydrophobicContact CD2-CB 4.28Å; L63-I86 HydrophobicContact CD2-CG1 4.37Å; L63-I86 PolarHBondContact N-O 3.47Å; L63-I86 PolarHBondContact O-N 3.35Å; L63-I99 HydrophobicContact CD2-CD1 4.36Å; L63-V105 HydrophobicContact CD1-CB 3.99Å; L63-V105 HydrophobicContact CD1-CG1 4.24Å; L63-V105 HydrophobicContact CD1-CG2 4.07Å; L63-V105 HydrophobicContact CG-CB 4.26Å; L63-A106 CarbonylContact C-O 3.58Å; L63-A106 VanDerWaalsContact CA-O 3.29Å; L63-A106 WeakPolarHBondContact CA-O 3.38Å; L63-V107 HydrophobicContact CB-CG1 4.15Å; L63-V107 HydrophobicContact CD1-CG1 4.11Å; L63-V107 HydrophobicContact CG-CG1 4.36Å
64K95.8Very high84.3Confident18 Ų1864.2 Ų64.28%0.07833%0.334CS..EExtended strand (participates in β ladder)trans-136.3148162.6-77.6-170.864.5173.90111.9R66 I79 D80 Q82 P85 V105 A106 F108 F113K64-R66 PolarHBondContact O-N 3.16Å; K64-I79 HydrophobicContact CB-CD1 4.48Å; K64-I79 HydrophobicContact CD-CD1 4.05Å; K64-D80 VanDerWaalsContact CE-OD2 3.27Å; K64-D80 WeakPolarHBondContact CE-OD2 3.38Å; K64-D80 PolarHBondContact NZ-O 2.99Å; K64-D80 IonicContact NZ-OD1 2.97Å; K64-D80 PolarHBondContact NZ-OD1 2.99Å; K64-D80 IonicContact NZ-OD2 3.19Å; K64-D80 PolarHBondContact NZ-OD2 2.93Å; K64-Q82 PolarHBondContact NZ-O 2.97Å; K64-P85 HydrophobicContact CD-CB 4.32Å; K64-P85 HydrophobicContact CD-CG 4.14Å; K64-P85 HydrophobicContact CG-CB 3.95Å; K64-P85 HydrophobicContact CG-CG 4.32Å; K64-V105 CarbonylContact O-C 3.55Å; K64-V105 WeakPolarHBondContact O-CA 3.48Å; K64-A106 PolarHBondContact N-O 2.77Å; K64-A106 PolarHBondContact O-N 3.36Å; K64-F108 HydrophobicContact CB-CE1 4.17Å; K64-F108 HydrophobicContact CB-CZ 4.27Å; K64-F108 HydrophobicContact CD-CZ 4.15Å; K64-F108 HydrophobicContact CG-CE1 4.31Å; K64-F108 HydrophobicContact CG-CZ 3.89Å; K64-F113 HydrophobicContact CD-CE2 4.21Å; K64-F113 HydrophobicContact CD-CZ 4.31Å
65V92.8Very high82.8Confident39 Ų3965 Ų6524%0.23636%0.355CS..EExtended strand (participates in β ladder)trans-76.1120.1170.8178.10000108.7K68 I99 T103 V105V65-K68 HydrophobicContact CG1-CG 3.86Å; V65-I99 HydrophobicContact CG2-CD1 4.21Å; V65-I99 HydrophobicContact CG2-CG1 3.84Å; V65-T103 HydrophobicContact CG1-CG2 3.7Å; V65-V105 HydrophobicContact CG2-CG1 4.4Å
66R87.5Confident81.4Confident61 Ų6168.8 Ų68.823%0.2337%0.373CS..EExtended strand (participates in β ladder)trans-85.9-42.7177-66.4-172.773.3-164.66.8112.1T10 K64 L77 L78 I79 E104 A106T10-R66 PolarHBondContact OG1-NH1 3.28Å; K64-R66 PolarHBondContact O-N 3.16Å; R66-L77 PolarHBondContact NH2-O 2.97Å; R66-L78 PolarHBondContact NE-O 3.31Å; R66-L78 PolarHBondContact NH2-O 2.82Å; R66-I79 HydrophobicContact CG-CG2 4.02Å; R66-E104 HydrophobicContact CB-CB 4.47Å; R66-E104 HydrophobicContact CB-CG 4.37Å; R66-E104 IonicContact CZ-OE1 3.61Å; R66-E104 PolarHBondContact N-O 3.37Å; R66-E104 IonicContact NE-OE1 3.88Å; R66-E104 IonicContact NH1-OE1 2.7Å; R66-E104 PolarHBondContact NH1-OE1 3.44Å; R66-A106 HydrophobicContact CG-CB 3.63Å
67H82Confident80.4Confident34 Ų3472.2 Ų72.216%0.15739%0.393CS..EExtended strand (participates in β ladder)trans-149.4115.7-172.117782.2000109N71 T72 K73 T103 E104H67-N71 PolarHBondContact CE1-O 3.48Å; H67-T72 PolarHBondContact ND1-O 2.86Å; H67-K73 PolarHBondContact CE1-N 3.35Å; H67-K73 WeakPolarHBondContact ND1-CA 3.49Å; H67-K73 WeakPolarHBondContact ND1-CG 3.47Å; H67-K73 PolarHBondContact ND1-N 3.48Å; H67-T103 CarbonylContact O-C 3.58Å; H67-T103 WeakPolarHBondContact O-CA 3.21Å; H67-T103 WeakPolarHBondContact O-CG2 3.28Å; H67-E104 HydrophobicContact CB-CB 4.03Å; H67-E104 PolarHBondContact N-O 2.99Å; H67-E104 PolarHBondContact O-N 2.79Å
68K77.6Confident80.2Confident106 Ų10665.6 Ų65.646%0.46136%0.358SS..  trans-74.4136.6167.8-66.7-174.7176.7-174.40108.2V65 F70 N71V65-K68 HydrophobicContact CG1-CG 3.86Å; K68-F70 PolarHBondContact O-N 2.69Å; K68-N71 PolarHBondContact O-N 3.02Å; K68-N71 VanDerWaalsContact O-N 3.13Å
69A70.5Confident80Confident15 Ų1564.8 Ų64.812%0.12435%0.354CS..THydrogen-bonded Turntrans-50.1140.2174.800000110.2N71 V100 N101 E102A69-N71 PolarHBondContact O-N 3.01Å; A69-V100 HydrophobicContact CB-CG2 4.31Å; A69-N101 VanDerWaalsContact CB-O 3.31Å; A69-N101 WeakPolarHBondContact CB-O 3.23Å; A69-E102 HydrophobicContact CB-CB 4.46Å
70F61.7Low79.7Confident203 Ų20364.1 Ų64.189%0.8935%0.345SS*.THydrogen-bonded Turntrans69.91.4-179.4-43.1-78.3000116.9K68K68-F70 PolarHBondContact O-N 2.69Å
71N63.6Low79.4Confident104 Ų10465.8 Ų65.856%0.55635%0.354SS*.SBendtrans-91.5172.4168.2-80.7-42.6000111.3H67 K68 A69H67-N71 PolarHBondContact CE1-O 3.48Å; K68-N71 PolarHBondContact O-N 3.02Å; K68-N71 VanDerWaalsContact O-N 3.13Å; A69-N71 PolarHBondContact O-N 3.01Å
72T59.9Low78.8Confident134 Ų13471.1 Ų71.182%0.82238%0.377SS*.PPolyproline II helixtrans-74.3139.9170.7-36.50000109H67 S74H67-T72 PolarHBondContact ND1-O 2.86Å; T72-S74 PolarHBondContact O-N 3.46Å
73K61Low78.4Confident140 Ų14073.5 Ų73.561%0.60940%0.402SS*.PPolyproline II helixtrans-58.8132.1168.2-78.5-170.9174.7-1670108.3H67 E104H67-K73 PolarHBondContact CE1-N 3.35Å; H67-K73 WeakPolarHBondContact ND1-CA 3.49Å; H67-K73 WeakPolarHBondContact ND1-CG 3.47Å; H67-K73 PolarHBondContact ND1-N 3.48Å; K73-E104 IonicContact NZ-OE2 3.77Å
74S60.9Low78.2Confident65 Ų6579.6 Ų79.646%0.45544%0.435SS..PPolyproline II helixtrans-62.2149.3173.891.90000108.5T72 E76T72-S74 PolarHBondContact O-N 3.46Å; S74-E76 PolarHBondContact O-N 3.32Å; S74-E76 VanDerWaalsContact O-N 3.08Å; S74-E76 WeakPolarHBondContact OG-CB 3.29Å; S74-E76 PolarHBondContact OG-N 2.83Å
75G62.2Low78.2Confident86 Ų8679.2 Ų79.289%0.88743%0.434SS*.SBendtrans-67.4-0.3174.600000113.4
76E67.3Low78.4Confident91 Ų9179.2 Ų79.243%0.42543%0.432SS..  trans-79.4124.8-177.9-60.6-147.7-158.800111.8S74 L78 I79 D80S74-E76 PolarHBondContact O-N 3.32Å; S74-E76 VanDerWaalsContact O-N 3.08Å; S74-E76 WeakPolarHBondContact OG-CB 3.29Å; S74-E76 PolarHBondContact OG-N 2.83Å; E76-L78 VanDerWaalsContact C-N 3.26Å; E76-L78 PolarHBondContact O-N 3.42Å; E76-I79 VanDerWaalsContact OE2-C 3.24Å; E76-D80 WeakPolarHBondContact OE2-CA 3.16Å; E76-D80 PolarHBondContact OE2-N 2.92Å
77L75.3Confident78.9Confident128 Ų12879 Ų7967%0.6744%0.439SS*.SBendtrans-61.5-34.6-174.8-68170.8000113R66R66-L77 PolarHBondContact NH2-O 2.97Å
78L86.4Confident79.7Confident13 Ų1378.7 Ų78.77%0.06844%0.44CS..SBendtrans-114.8-86.8179-64.2178.2000109.8I12 F15 R18 T20 R66 E76I12-L78 HydrophobicContact CD1-CB 4.28Å; F15-L78 HydrophobicContact CB-CD1 4.38Å; F15-L78 HydrophobicContact CD1-CD1 3.95Å; R18-L78 HydrophobicContact CB-CD1 4.24Å; R18-L78 HydrophobicContact CB-CD2 4.27Å; R18-L78 HydrophobicContact CB-CG 4.4Å; R18-L78 HydrophobicContact CG-CD1 4.05Å; R18-L78 HydrophobicContact CG-CG 4.4Å; T20-L78 HydrophobicContact CG2-CD2 3.29Å; R66-L78 PolarHBondContact NE-O 3.31Å; R66-L78 PolarHBondContact NH2-O 2.82Å; E76-L78 VanDerWaalsContact C-N 3.26Å; E76-L78 PolarHBondContact O-N 3.42Å
79I89.1Confident80.6Confident7 Ų779.2 Ų79.24%0.03645%0.448CS..  trans-150.3157.7-178.875-178.9000108.4I12 F15 K64 R66 E76 L81 A106 F108 F113I12-I79 HydrophobicContact CD1-CG2 3.53Å; F15-I79 HydrophobicContact CE1-CD1 3.7Å; F15-I79 HydrophobicContact CE1-CG1 3.94Å; F15-I79 HydrophobicContact CZ-CD1 4.04Å; K64-I79 HydrophobicContact CB-CD1 4.48Å; K64-I79 HydrophobicContact CD-CD1 4.05Å; R66-I79 HydrophobicContact CG-CG2 4.02Å; E76-I79 VanDerWaalsContact OE2-C 3.24Å; I79-L81 PolarHBondContact O-N 3.15Å; I79-A106 HydrophobicContact CG2-CB 3.33Å; I79-F108 HydrophobicContact CD1-CD1 3.97Å; I79-F108 HydrophobicContact CD1-CE1 3.24Å; I79-F108 HydrophobicContact CD1-CE2 4.37Å; I79-F108 HydrophobicContact CD1-CZ 3.47Å; I79-F108 VanDerWaalsContact CD1-CZ 3.47Å; I79-F113 HydrophobicContact CD1-CD2 3.68Å; I79-F113 HydrophobicContact CD1-CE2 3.7Å; I79-F113 HydrophobicContact CG1-CD2 4.48Å; I79-F113 HydrophobicContact CG1-CE2 4.26Å
80D88.6Confident81.9Confident55 Ų5579.5 Ų79.529%0.29445%0.449SS..  trans-63.1132.4168.870.5111.5000110.6K64 E76K64-D80 VanDerWaalsContact CE-OD2 3.27Å; K64-D80 WeakPolarHBondContact CE-OD2 3.38Å; K64-D80 PolarHBondContact NZ-O 2.99Å; K64-D80 IonicContact NZ-OD1 2.97Å; K64-D80 PolarHBondContact NZ-OD1 2.99Å; K64-D80 IonicContact NZ-OD2 3.19Å; K64-D80 PolarHBondContact NZ-OD2 2.93Å; E76-D80 WeakPolarHBondContact OE2-CA 3.16Å; E76-D80 PolarHBondContact OE2-N 2.92Å
81L90.4Very high83.5Confident35 Ų3576.2 Ų76.218%0.18344%0.441CS..  trans-84.70.4175.9-61.2178.7000112.6I79 F113 Q116 R117 P120I79-L81 PolarHBondContact O-N 3.15Å; L81-F113 HydrophobicContact CD2-CD2 3.89Å; L81-F113 HydrophobicContact CD2-CE2 3.66Å; L81-Q116 HydrophobicContact CD1-CG 3.82Å; L81-Q116 HydrophobicContact CD2-CB 4.43Å; L81-Q116 HydrophobicContact CD2-CG 4.06Å; L81-R117 HydrophobicContact CB-CG 4.46Å; L81-R117 WeakPolarHBondContact O-CD 3.48Å; L81-R117 WeakPolarHBondContact O-CG 3.41Å; L81-P120 HydrophobicContact CD1-CB 4.2Å
82Q87.5Confident85.1Confident158 Ų15875 Ų7574%0.73843%0.434SS*.SBendtrans-85.9155.1176.5-62.1-151.429.600112K64K64-Q82 PolarHBondContact NZ-O 2.97Å
83G88.8Confident86.9Confident50 Ų5071 Ų7152%0.51541%0.41SS..SBendtrans66.9172.5-177.800000114.1
84D92.9Very high88.5Confident130 Ų13064.3 Ų64.370%0.69538%0.381SS*.PPolyproline II helixtrans-98.6134.1-172.6-64.4-44.4000111.9R117D84-R117 IonicContact OD1-NH1 2.7Å; D84-R117 PolarHBondContact OD1-NH1 3.3Å
85P96.5Very high90.1Very high9 Ų966.7 Ų66.76%0.05838%0.384CS..PPolyproline II helixtrans-66.1154.2171.9-17.230.4000112.3A62 K64 P87 F108 M110 F113A62-P85 HydrophobicContact CB-CB 3.94Å; K64-P85 HydrophobicContact CD-CB 4.32Å; K64-P85 HydrophobicContact CD-CG 4.14Å; K64-P85 HydrophobicContact CG-CB 3.95Å; K64-P85 HydrophobicContact CG-CG 4.32Å; P85-P87 WeakPolarHBondContact O-CD 3.43Å; P85-F108 HydrophobicContact CB-CE2 3.92Å; P85-F108 HydrophobicContact CB-CZ 3.87Å; P85-F108 HydrophobicContact CG-CE2 3.81Å; P85-F108 HydrophobicContact CG-CZ 3.94Å; P85-M110 HydrophobicContact CB-CE 3.91Å; P85-M110 HydrophobicContact CB-SD 3.98Å; P85-M110 HydrophobicContact CG-CE 4.29Å; P85-M110 HydrophobicContact CG-SD 3.73Å; P85-F113 HydrophobicContact CG-CD1 3.46Å; P85-F113 VanDerWaalsContact CG-CD1 3.46Å; P85-F113 HydrophobicContact CG-CD2 4.44Å; P85-F113 HydrophobicContact CG-CE1 3.43Å; P85-F113 VanDerWaalsContact CG-CE1 3.43Å; P85-F113 HydrophobicContact CG-CE2 4.39Å; P85-F113 HydrophobicContact CG-CG 3.99Å; P85-F113 HydrophobicContact CG-CZ 3.91Å
86I97.7Very high91.7Very high40 Ų4066 Ų6621%0.20537%0.366CS..EExtended strand (participates in β ladder)trans-84.8124173.3-51.8-58.6000109.3V34 A62 L63 L92 L97V34-I86 HydrophobicContact CG1-CG2 4.19Å; V34-I86 HydrophobicContact CG2-CG2 4.06Å; A62-I86 CarbonylContact C-O 3.56Å; A62-I86 WeakPolarHBondContact CA-O 3.48Å; L63-I86 HydrophobicContact CD2-CB 4.28Å; L63-I86 HydrophobicContact CD2-CG1 4.37Å; L63-I86 PolarHBondContact N-O 3.47Å; L63-I86 PolarHBondContact O-N 3.35Å; I86-L92 HydrophobicContact CD1-CD1 4.49Å; I86-L97 HydrophobicContact CD1-CD2 4.09Å; I86-L97 HydrophobicContact CG1-CD1 4.26Å; I86-L97 HydrophobicContact CG1-CD2 4.19Å; I86-L97 HydrophobicContact CG2-CD1 4.39Å
87P98.1Very high93Very high56 Ų5663.5 Ų63.536%0.36436%0.355SS..EExtended strand (participates in β ladder)trans-64.1148.5175.5-23.635.3000112.8P85 N89 S90 M110P85-P87 WeakPolarHBondContact O-CD 3.43Å; P87-N89 VanDerWaalsContact CB-OD1 3.25Å; P87-N89 WeakPolarHBondContact CB-OD1 3.34Å; P87-N89 PolarHBondContact O-N 2.85Å; P87-S90 WeakPolarHBondContact O-CB 3.3Å; P87-S90 PolarHBondContact O-N 3.46Å; P87-S90 VanDerWaalsContact O-N 3.09Å; P87-M110 HydrophobicContact CG-CE 4.38Å
88S97.6Very high93.8Very high27 Ų2758.7 Ų58.719%0.18934%0.337CS..THydrogen-bonded Turntrans-63.8-21.7-179.759.50000114.8K35 F38 D61 S90K35-S88 VanDerWaalsContact CA-O 3.3Å; K35-S88 WeakPolarHBondContact CA-O 3.48Å; F38-S88 VanDerWaalsContact CD2-CA 3.44Å; F38-S88 VanDerWaalsContact CD2-CB 3.47Å; D61-S88 PolarHBondContact O-N 3.45Å; D61-S88 PolarHBondContact O-OG 3.43Å; S88-S90 VanDerWaalsContact C-N 3.34Å
89N96.8Very high94.2Very high117 Ų11758 Ų5863%0.62633%0.333SS*.THydrogen-bonded Turntrans-92.711.3177.467-16.7000113.5P87P87-N89 VanDerWaalsContact CB-OD1 3.25Å; P87-N89 WeakPolarHBondContact CB-OD1 3.34Å; P87-N89 PolarHBondContact O-N 2.85Å
90S97.1Very high94.4Very high21 Ų2160.3 Ų60.315%0.14735%0.347CS..  trans-66.9134.5178.9-178.70000112.1K35 P87 S88 L92K35-S90 PolarHBondContact N-O 3.33Å; P87-S90 WeakPolarHBondContact O-CB 3.3Å; P87-S90 PolarHBondContact O-N 3.46Å; P87-S90 VanDerWaalsContact O-N 3.09Å; S88-S90 VanDerWaalsContact C-N 3.34Å; S90-L92 PolarHBondContact O-N 3.22Å; S90-L92 WeakPolarHBondContact OG-CB 3.47Å; S90-L92 VanDerWaalsContact OG-CG 3.29Å; S90-L92 WeakPolarHBondContact OG-CG 3.44Å; S90-L92 PolarHBondContact OG-N 2.91Å
91D96.6Very high94.7Very high134 Ų13461.2 Ų61.272%0.71735%0.352SS*.  trans-82.11.3174.1-63.2-50.6000112.9
92L97.3Very high94.8Very high80 Ų8063.8 Ų63.842%0.41936%0.363SS..  trans-61.1140.4174.6-65.8175.6000110.5T33 V34 I86 S90 L97T33-L92 CarbonylContact C-O 3.56Å; T33-L92 WeakPolarHBondContact CA-O 3.3Å; V34-L92 HydrophobicContact CG2-CB 4.45Å; V34-L92 PolarHBondContact N-O 3.43Å; I86-L92 HydrophobicContact CD1-CD1 4.49Å; S90-L92 PolarHBondContact O-N 3.22Å; S90-L92 WeakPolarHBondContact OG-CB 3.47Å; S90-L92 VanDerWaalsContact OG-CG 3.29Å; S90-L92 WeakPolarHBondContact OG-CG 3.44Å; S90-L92 PolarHBondContact OG-N 2.91Å; L92-L97 HydrophobicContact CB-CD1 4.49Å; L92-L97 HydrophobicContact CB-CD2 4.47Å; L92-L97 HydrophobicContact CB-CG 4.36Å; L92-L97 HydrophobicContact CD1-CD2 3.81Å
93T96.4Very high95.1Very high49 Ų4956.3 Ų56.330%0.30133%0.328SS..BIsolated β-bridgetrans-80.8152174.862.60000110.7A32 E95 S96 L97A32-T93 CarbonylContact O-C 3.59Å; A32-T93 VanDerWaalsContact O-CA 3.31Å; A32-T93 WeakPolarHBondContact O-CA 3.43Å; T93-E95 PolarHBondContact O-N 2.82Å; T93-S96 PolarHBondContact N-OG 2.8Å; T93-S96 PolarHBondContact O-N 2.87Å; T93-S96 VanDerWaalsContact O-N 3.08Å; T93-S96 PolarHBondContact O-OG 2.98Å; T93-S96 VanDerWaalsContact OG1-CB 3.3Å; T93-S96 WeakPolarHBondContact OG1-CB 3.45Å; T93-S96 PolarHBondContact OG1-N 2.68Å; T93-S96 VanDerWaalsContact OG1-N 3.11Å; T93-S96 PolarHBondContact OG1-OG 3.5Å; T93-L97 PolarHBondContact O-N 3.14Å
94L96Very high95.4Very high0 Ų054.7 Ų54.70%031%0.308CS..THydrogen-bonded Turntrans-56.2-42.4174.8-61.3-174.7000111.2I5 I28 A32 L37 S96 L97 G98 I99I5-L94 HydrophobicContact CD1-CD1 4.48Å; I28-L94 HydrophobicContact CG2-CD1 3.42Å; I28-L94 VanDerWaalsContact CG2-CD1 3.42Å; A32-L94 HydrophobicContact CB-CD1 4.2Å; A32-L94 HydrophobicContact CB-CG 4.49Å; A32-L94 WeakPolarHBondContact O-CG 3.41Å; A32-L94 PolarHBondContact O-N 3.04Å; L37-L94 HydrophobicContact CB-CD2 4.16Å; L37-L94 HydrophobicContact CD2-CD2 3.7Å; L94-S96 PolarHBondContact O-N 2.7Å; L94-L97 PolarHBondContact O-N 3.13Å; L94-G98 PolarHBondContact O-N 2.89Å; L94-I99 HydrophobicContact CB-CB 4.06Å; L94-I99 HydrophobicContact CB-CG2 4.32Å; L94-I99 HydrophobicContact CD2-CD1 3.93Å; L94-I99 WeakPolarHBondContact O-CB 3.14Å; L94-I99 PolarHBondContact O-N 3.18Å
95E94.4Very high95.5Very high114 Ų11448.5 Ų48.553%0.53327%0.274SS..G310 helixtrans-57.9-43.9173.7-176.8167.4-107.500113.4Q30 T93 L97 G98Q30-E95 HydrophobicContact CG-CB 4.07Å; Q30-E95 PolarHBondContact NE2-OE1 3.45Å; Q30-E95 PolarHBondContact O-N 3.18Å; T93-E95 PolarHBondContact O-N 2.82Å; E95-L97 PolarHBondContact O-N 3.36Å; E95-G98 WeakPolarHBondContact O-CA 3.5Å; E95-G98 PolarHBondContact O-N 2.92Å
96S94.9Very high95.5Very high73 Ų7348.1 Ų48.151%0.5127%0.272SS..G310 helixtrans-63.5-26.6179.272.60000113T93 L94 G98T93-S96 PolarHBondContact N-OG 2.8Å; T93-S96 PolarHBondContact O-N 2.87Å; T93-S96 VanDerWaalsContact O-N 3.08Å; T93-S96 PolarHBondContact O-OG 2.98Å; T93-S96 VanDerWaalsContact OG1-CB 3.3Å; T93-S96 WeakPolarHBondContact OG1-CB 3.45Å; T93-S96 PolarHBondContact OG1-N 2.68Å; T93-S96 VanDerWaalsContact OG1-N 3.11Å; T93-S96 PolarHBondContact OG1-OG 3.5Å; L94-S96 PolarHBondContact O-N 2.7Å; S96-G98 VanDerWaalsContact C-N 3.29Å
97L94.2Very high95.5Very high37 Ų3746.2 Ų46.219%0.19426%0.262CS..G310 helixtrans-85.3-3174.4-63.6177.6000112.8V34 I86 L92 T93 L94 E95 I99V34-L97 HydrophobicContact CG2-CD1 3.44Å; V34-L97 VanDerWaalsContact CG2-CD1 3.44Å; I86-L97 HydrophobicContact CD1-CD2 4.09Å; I86-L97 HydrophobicContact CG1-CD1 4.26Å; I86-L97 HydrophobicContact CG1-CD2 4.19Å; I86-L97 HydrophobicContact CG2-CD1 4.39Å; L92-L97 HydrophobicContact CB-CD1 4.49Å; L92-L97 HydrophobicContact CB-CD2 4.47Å; L92-L97 HydrophobicContact CB-CG 4.36Å; L92-L97 HydrophobicContact CD1-CD2 3.81Å; T93-L97 PolarHBondContact O-N 3.14Å; L94-L97 PolarHBondContact O-N 3.13Å; E95-L97 PolarHBondContact O-N 3.36Å; L97-I99 VanDerWaalsContact C-N 3.26Å; L97-I99 HydrophobicContact CB-CD1 4Å; L97-I99 HydrophobicContact CB-CG1 4.05Å; L97-I99 HydrophobicContact CD1-CD1 4.05Å; L97-I99 PolarHBondContact O-N 2.81Å
98G93.6Very high95.5Very high27 Ų2743.5 Ų43.528%0.27825%0.245SC..THydrogen-bonded Turntrans69.222.9-173.200000113.4L94 E95 S96 V100L94-G98 PolarHBondContact O-N 2.89Å; E95-G98 WeakPolarHBondContact O-CA 3.5Å; E95-G98 PolarHBondContact O-N 2.92Å; S96-G98 VanDerWaalsContact C-N 3.29Å; G98-V100 PolarHBondContact O-N 2.8Å
99I94.2Very high95.5Very high0 Ų045.8 Ų45.80%025%0.249CC..  trans-80.3102.2172.3-60.9168000107.6I5 V7 L63 V65 L94 L97 T103 V105I5-I99 HydrophobicContact CD1-CG2 4.48Å; V7-I99 HydrophobicContact CG1-CG2 4.5Å; V7-I99 HydrophobicContact CG2-CG2 4.24Å; L63-I99 HydrophobicContact CD2-CD1 4.36Å; V65-I99 HydrophobicContact CG2-CD1 4.21Å; V65-I99 HydrophobicContact CG2-CG1 3.84Å; L94-I99 HydrophobicContact CB-CB 4.06Å; L94-I99 HydrophobicContact CB-CG2 4.32Å; L94-I99 HydrophobicContact CD2-CD1 3.93Å; L94-I99 WeakPolarHBondContact O-CB 3.14Å; L94-I99 PolarHBondContact O-N 3.18Å; L97-I99 VanDerWaalsContact C-N 3.26Å; L97-I99 HydrophobicContact CB-CD1 4Å; L97-I99 HydrophobicContact CB-CG1 4.05Å; L97-I99 HydrophobicContact CD1-CD1 4.05Å; L97-I99 PolarHBondContact O-N 2.81Å; I99-T103 HydrophobicContact CB-CG2 4.36Å; I99-T103 HydrophobicContact CG1-CG2 4.22Å; I99-T103 HydrophobicContact CG2-CG2 4.23Å; I99-V105 HydrophobicContact CD1-CG1 3.94Å; I99-V105 HydrophobicContact CG1-CG1 4.23Å; I99-V105 HydrophobicContact CG2-CG1 4.5Å
100V93.1Very high95.5Very high54 Ų5442.4 Ų42.433%0.32723%0.23SC..  trans-112.1178.6175.9-61.60000110.1A69 G98 E102 T103A69-V100 HydrophobicContact CB-CG2 4.31Å; G98-V100 PolarHBondContact O-N 2.8Å; V100-E102 PolarHBondContact O-N 2.98Å; V100-T103 WeakPolarHBondContact CG2-OG1 3.16Å; V100-T103 PolarHBondContact N-OG1 3.43Å; V100-T103 VanDerWaalsContact N-OG1 3.08Å; V100-T103 WeakPolarHBondContact O-CB 3.47Å; V100-T103 PolarHBondContact O-N 2.79Å; V100-T103 PolarHBondContact O-OG1 3.44Å
101N94.4Very high95.5Very high74 Ų7444.6 Ų44.640%0.39625%0.245SC..THydrogen-bonded Turntrans-48130.9177.5-166.859000112.6I5 T6 A69 T103I5-N101 HydrophobicContact CB-CB 4.1Å; I5-N101 HydrophobicContact CG2-CB 3.93Å; T6-N101 PolarHBondContact N-OD1 2.78Å; A69-N101 VanDerWaalsContact CB-O 3.31Å; A69-N101 WeakPolarHBondContact CB-O 3.23Å; N101-T103 PolarHBondContact O-N 3.02Å
102E93.1Very high95.5Very high90 Ų9040.7 Ų40.742%0.42122%0.224SC..THydrogen-bonded Turntrans63.716-176.8-56.9-60.2142.900115.3T6 A69 V100 E104T6-E102 VanDerWaalsContact CB-OE1 3.31Å; T6-E102 WeakPolarHBondContact CB-OE1 3.37Å; T6-E102 WeakPolarHBondContact CG2-OE1 3.45Å; T6-E102 PolarHBondContact O-N 3.48Å; A69-E102 HydrophobicContact CB-CB 4.46Å; V100-E102 PolarHBondContact O-N 2.98Å; E102-E104 PolarHBondContact O-N 3Å
103T94Very high95.4Very high0 Ų036.9 Ų36.90%020%0.204CC..  trans-71.5119.4166.4-60.90000109.4V65 H67 I99 V100 N101V65-T103 HydrophobicContact CG1-CG2 3.7Å; H67-T103 CarbonylContact O-C 3.58Å; H67-T103 WeakPolarHBondContact O-CA 3.21Å; H67-T103 WeakPolarHBondContact O-CG2 3.28Å; I99-T103 HydrophobicContact CB-CG2 4.36Å; I99-T103 HydrophobicContact CG1-CG2 4.22Å; I99-T103 HydrophobicContact CG2-CG2 4.23Å; V100-T103 WeakPolarHBondContact CG2-OG1 3.16Å; V100-T103 PolarHBondContact N-OG1 3.43Å; V100-T103 VanDerWaalsContact N-OG1 3.08Å; V100-T103 WeakPolarHBondContact O-CB 3.47Å; V100-T103 PolarHBondContact O-N 2.79Å; V100-T103 PolarHBondContact O-OG1 3.44Å; N101-T103 PolarHBondContact O-N 3.02Å
104E93.9Very high95.3Very high17 Ų1737.3 Ų37.38%0.07920%0.204CC..EExtended strand (participates in β ladder)trans-83.2129.6177.8-169.3-178.1165.700110.5P8 T10 R66 H67 K73 E102P8-E104 HydrophobicContact CB-CB 4.11Å; P8-E104 HydrophobicContact CB-CG 3.97Å; P8-E104 WeakPolarHBondContact O-CA 3.47Å; T10-E104 PolarHBondContact OG1-OE1 2.85Å; R66-E104 HydrophobicContact CB-CB 4.47Å; R66-E104 HydrophobicContact CB-CG 4.37Å; R66-E104 IonicContact CZ-OE1 3.61Å; R66-E104 PolarHBondContact N-O 3.37Å; R66-E104 IonicContact NE-OE1 3.88Å; R66-E104 IonicContact NH1-OE1 2.7Å; R66-E104 PolarHBondContact NH1-OE1 3.44Å; H67-E104 HydrophobicContact CB-CB 4.03Å; H67-E104 PolarHBondContact N-O 2.99Å; H67-E104 PolarHBondContact O-N 2.79Å; K73-E104 IonicContact NZ-OE2 3.77Å; E102-E104 PolarHBondContact O-N 3Å
105V95.4Very high95.3Very high0 Ų040.1 Ų40.10%023%0.228CC..EExtended strand (participates in β ladder)trans-117.2147.7175.4-58.40000110.6V7 P8 V9 T10 L63 K64 V65 I99V7-V105 HydrophobicContact CG1-CG1 4.32Å; V7-V105 HydrophobicContact CG1-CG2 3.74Å; P8-V105 PolarHBondContact O-N 3.27Å; V9-V105 WeakPolarHBondContact CA-O 3.36Å; V9-V105 HydrophobicContact CB-CG2 4.34Å; V9-V105 HydrophobicContact CG1-CG2 4.24Å; V9-V105 HydrophobicContact CG2-CG2 3.93Å; T10-V105 PolarHBondContact N-O 3.08Å; L63-V105 HydrophobicContact CD1-CB 3.99Å; L63-V105 HydrophobicContact CD1-CG1 4.24Å; L63-V105 HydrophobicContact CD1-CG2 4.07Å; L63-V105 HydrophobicContact CG-CB 4.26Å; K64-V105 CarbonylContact O-C 3.55Å; K64-V105 WeakPolarHBondContact O-CA 3.48Å; V65-V105 HydrophobicContact CG2-CG1 4.4Å; I99-V105 HydrophobicContact CD1-CG1 3.94Å; I99-V105 HydrophobicContact CG1-CG1 4.23Å; I99-V105 HydrophobicContact CG2-CG1 4.5Å
106A96.4Very high95.3Very high0 Ų035.3 Ų35.30%021%0.206CC..EExtended strand (participates in β ladder)trans-102.2140.3166.800000109.4T10 I12 L63 K64 R66 I79 F108T10-A106 CarbonylContact O-C 3.53Å; T10-A106 VanDerWaalsContact O-CA 3.3Å; T10-A106 WeakPolarHBondContact O-CA 2.99Å; I12-A106 HydrophobicContact CD1-CB 3.85Å; I12-A106 HydrophobicContact CG1-CB 4.48Å; L63-A106 CarbonylContact C-O 3.58Å; L63-A106 VanDerWaalsContact CA-O 3.29Å; L63-A106 WeakPolarHBondContact CA-O 3.38Å; K64-A106 PolarHBondContact N-O 2.77Å; K64-A106 PolarHBondContact O-N 3.36Å; R66-A106 HydrophobicContact CG-CB 3.63Å; I79-A106 HydrophobicContact CG2-CB 3.33Å; A106-F108 HydrophobicContact CB-CD1 4.19Å; A106-F108 HydrophobicContact CB-CE1 4.14Å
107V97.9Very high95.2Very high0 Ų036.1 Ų36.10%020%0.197CC..EExtended strand (participates in β ladder)trans-125.8143.4169.4-610000110.9V9 T10 L11 I12 F38 I41 Y60 A62 L63V9-V107 HydrophobicContact CG1-CG1 4.14Å; V9-V107 HydrophobicContact CG1-CG2 3.65Å; T10-V107 PolarHBondContact O-N 3.03Å; L11-V107 HydrophobicContact CD2-CG2 3.41Å; L11-V107 VanDerWaalsContact CD2-CG2 3.41Å; I12-V107 PolarHBondContact N-O 2.93Å; F38-V107 HydrophobicContact CE1-CB 4.19Å; F38-V107 HydrophobicContact CE1-CG1 4.08Å; F38-V107 HydrophobicContact CE2-CG1 4.48Å; F38-V107 HydrophobicContact CZ-CB 4.22Å; F38-V107 HydrophobicContact CZ-CG1 3.78Å; I41-V107 HydrophobicContact CD1-CG1 3.85Å; I41-V107 HydrophobicContact CD1-CG2 4.48Å; I41-V107 HydrophobicContact CG2-CG2 4.36Å; Y60-V107 HydrophobicContact CD1-CB 4.32Å; Y60-V107 HydrophobicContact CD1-CG2 3.83Å; Y60-V107 HydrophobicContact CE1-CG2 4.43Å; Y60-V107 HydrophobicContact CG-CG2 4.25Å; A62-V107 VanDerWaalsContact O-CA 3.28Å; A62-V107 WeakPolarHBondContact O-CA 3.36Å; L63-V107 HydrophobicContact CB-CG1 4.15Å; L63-V107 HydrophobicContact CD1-CG1 4.11Å; L63-V107 HydrophobicContact CG-CG1 4.36Å
108F97.9Very high95.1Very high0 Ų040.3 Ų40.30%022%0.22CC..EExtended strand (participates in β ladder)trans-159.1176.3-17142.1-91.2000110.9I12 F15 D61 A62 K64 I79 P85 A106 F113I12-F108 HydrophobicContact CB-CB 4.14Å; I12-F108 HydrophobicContact CD1-CD1 4.19Å; F15-F108 HydrophobicContact CE2-CB 3.83Å; F15-F108 HydrophobicContact CE2-CD2 4.11Å; F15-F108 HydrophobicContact CE2-CG 4.03Å; F15-F108 HydrophobicContact CZ-CB 3.73Å; F15-F108 AromaticContact CZ-CD1 3.89Å; F15-F108 HydrophobicContact CZ-CD1 3.89Å; F15-F108 AromaticContact CZ-CD2 3.74Å; F15-F108 HydrophobicContact CZ-CD2 3.74Å; F15-F108 HydrophobicContact CZ-CE1 4.43Å; F15-F108 HydrophobicContact CZ-CE2 4.27Å; F15-F108 AromaticContact CZ-CG 3.52Å; F15-F108 HydrophobicContact CZ-CG 3.52Å; D61-F108 PolarHBondContact N-O 3.02Å; A62-F108 HydrophobicContact CB-CD2 3.71Å; A62-F108 HydrophobicContact CB-CE2 3.54Å; A62-F108 HydrophobicContact CB-CZ 4.3Å; A62-F108 PolarHBondContact N-O 3.32Å; A62-F108 PolarHBondContact O-N 2.93Å; K64-F108 HydrophobicContact CB-CE1 4.17Å; K64-F108 HydrophobicContact CB-CZ 4.27Å; K64-F108 HydrophobicContact CD-CZ 4.15Å; K64-F108 HydrophobicContact CG-CE1 4.31Å; K64-F108 HydrophobicContact CG-CZ 3.89Å; I79-F108 HydrophobicContact CD1-CD1 3.97Å; I79-F108 HydrophobicContact CD1-CE1 3.24Å; I79-F108 HydrophobicContact CD1-CE2 4.37Å; I79-F108 HydrophobicContact CD1-CZ 3.47Å; I79-F108 VanDerWaalsContact CD1-CZ 3.47Å; P85-F108 HydrophobicContact CB-CE2 3.92Å; P85-F108 HydrophobicContact CB-CZ 3.87Å; P85-F108 HydrophobicContact CG-CE2 3.81Å; P85-F108 HydrophobicContact CG-CZ 3.94Å; A106-F108 HydrophobicContact CB-CD1 4.19Å; A106-F108 HydrophobicContact CB-CE1 4.14Å; F108-F113 HydrophobicContact CD2-CB 3.61Å; F108-F113 HydrophobicContact CD2-CG 4.3Å; F108-F113 HydrophobicContact CE2-CB 3.44Å; F108-F113 VanDerWaalsContact CE2-CB 3.44Å; F108-F113 HydrophobicContact CE2-CD1 4.43Å; F108-F113 AromaticContact CE2-CD2 3.83Å; F108-F113 HydrophobicContact CE2-CD2 3.83Å; F108-F113 AromaticContact CE2-CG 3.65Å; F108-F113 HydrophobicContact CE2-CG 3.65Å; F108-F113 HydrophobicContact CZ-CB 4.44Å; F108-F113 HydrophobicContact CZ-CD2 4.02Å; F108-F113 HydrophobicContact CZ-CG 4.26Å
109R97.7Very high95Very high74 Ų7444.1 Ų44.128%0.27923%0.234SC..  trans-81.8127.4166.1-172.5-174-67.9136.2-13.5109.9L58 C59 D61 S111 D112 F113L58-R109 VanDerWaalsContact CD1-NH2 3.35Å; C59-R109 WeakPolarHBondContact O-CB 3.37Å; D61-R109 WeakPolarHBondContact OD1-CA 3.33Å; R109-S111 VanDerWaalsContact C-N 3.33Å; R109-S111 WeakPolarHBondContact CD-OG 3.44Å; R109-S111 WeakPolarHBondContact CG-OG 3.49Å; R109-S111 PolarHBondContact O-N 2.98Å; R109-D112 HydrophobicContact CB-CB 4.22Å; R109-D112 WeakPolarHBondContact CB-OD2 3.28Å; R109-D112 IonicContact CZ-OD2 3.67Å; R109-D112 IonicContact NE-OD2 3.9Å; R109-D112 IonicContact NH1-OD1 3.52Å; R109-D112 IonicContact NH1-OD2 2.79Å; R109-D112 PolarHBondContact NH1-OD2 3.47Å; R109-D112 PolarHBondContact O-N 3.06Å; R109-D112 VanDerWaalsContact O-N 3.13Å; R109-F113 PolarHBondContact O-N 2.96Å; R109-F113 VanDerWaalsContact O-N 3.14Å
110M97.6Very high94.6Very high46 Ų4647.9 Ų47.923%0.22726%0.259CS..Hα-helixtrans-54.8-46.6-179.7-175.166.185.500111.6D61 A62 P85 P87 D112 F113 L114D61-M110 WeakPolarHBondContact OD1-CB 3.49Å; D61-M110 PolarHBondContact OD1-N 3.07Å; A62-M110 HydrophobicContact CB-CB 3.95Å; A62-M110 HydrophobicContact CB-CE 3.77Å; A62-M110 HydrophobicContact CB-SD 3.98Å; P85-M110 HydrophobicContact CB-CE 3.91Å; P85-M110 HydrophobicContact CB-SD 3.98Å; P85-M110 HydrophobicContact CG-CE 4.29Å; P85-M110 HydrophobicContact CG-SD 3.73Å; P87-M110 HydrophobicContact CG-CE 4.38Å; M110-D112 VanDerWaalsContact C-N 3.29Å; M110-D112 PolarHBondContact O-N 3.35Å; M110-F113 WeakPolarHBondContact O-CB 3.15Å; M110-F113 PolarHBondContact O-N 2.88Å; M110-F113 VanDerWaalsContact O-N 3.16Å; M110-L114 HydrophobicContact CG-CD1 4.03Å; M110-L114 HydrophobicContact CG-CG 4.39Å; M110-L114 WeakPolarHBondContact O-CG 3.16Å; M110-L114 PolarHBondContact O-N 2.91Å
111S96.7Very high94.2Very high67 Ų6749.2 Ų49.247%0.46926%0.261SS..Hα-helixtrans-64.2-34-179.7550000113R109 L114 A115R109-S111 VanDerWaalsContact C-N 3.33Å; R109-S111 WeakPolarHBondContact CD-OG 3.44Å; R109-S111 WeakPolarHBondContact CG-OG 3.49Å; R109-S111 PolarHBondContact O-N 2.98Å; S111-L114 PolarHBondContact O-N 3.27Å; S111-A115 WeakPolarHBondContact O-CB 3.44Å; S111-A115 PolarHBondContact O-N 2.78Å
112D95.7Very high93.6Very high52 Ų5249.9 Ų49.928%0.27826%0.261SS..Hα-helixtrans-69.7-36176.2-63.5-21.5000110.8F15 R109 M110 Q116F15-D112 HydrophobicContact CD2-CB 4.08Å; F15-D112 HydrophobicContact CE2-CB 4.2Å; R109-D112 HydrophobicContact CB-CB 4.22Å; R109-D112 WeakPolarHBondContact CB-OD2 3.28Å; R109-D112 IonicContact CZ-OD2 3.67Å; R109-D112 IonicContact NE-OD2 3.9Å; R109-D112 IonicContact NH1-OD1 3.52Å; R109-D112 IonicContact NH1-OD2 2.79Å; R109-D112 PolarHBondContact NH1-OD2 3.47Å; R109-D112 PolarHBondContact O-N 3.06Å; R109-D112 VanDerWaalsContact O-N 3.13Å; M110-D112 VanDerWaalsContact C-N 3.29Å; M110-D112 PolarHBondContact O-N 3.35Å; D112-Q116 WeakPolarHBondContact O-CB 3.48Å; D112-Q116 PolarHBondContact O-N 2.76Å
113F95.8Very high93Very high0 Ų047.9 Ų47.90%025%0.253CS..Hα-helixtrans-65.8-47.9173.5171.2-93.9000112F15 K64 I79 L81 P85 F108 R109 M110 A115 Q116 R117F15-F113 HydrophobicContact CE1-CD2 4.22Å; F15-F113 HydrophobicContact CE2-CB 3.85Å; F15-F113 HydrophobicContact CZ-CB 3.87Å; F15-F113 AromaticContact CZ-CD2 3.99Å; F15-F113 HydrophobicContact CZ-CD2 3.99Å; F15-F113 HydrophobicContact CZ-CG 4.46Å; K64-F113 HydrophobicContact CD-CE2 4.21Å; K64-F113 HydrophobicContact CD-CZ 4.31Å; I79-F113 HydrophobicContact CD1-CD2 3.68Å; I79-F113 HydrophobicContact CD1-CE2 3.7Å; I79-F113 HydrophobicContact CG1-CD2 4.48Å; I79-F113 HydrophobicContact CG1-CE2 4.26Å; L81-F113 HydrophobicContact CD2-CD2 3.89Å; L81-F113 HydrophobicContact CD2-CE2 3.66Å; P85-F113 HydrophobicContact CG-CD1 3.46Å; P85-F113 VanDerWaalsContact CG-CD1 3.46Å; P85-F113 HydrophobicContact CG-CD2 4.44Å; P85-F113 HydrophobicContact CG-CE1 3.43Å; P85-F113 VanDerWaalsContact CG-CE1 3.43Å; P85-F113 HydrophobicContact CG-CE2 4.39Å; P85-F113 HydrophobicContact CG-CG 3.99Å; P85-F113 HydrophobicContact CG-CZ 3.91Å; F108-F113 HydrophobicContact CD2-CB 3.61Å; F108-F113 HydrophobicContact CD2-CG 4.3Å; F108-F113 HydrophobicContact CE2-CB 3.44Å; F108-F113 VanDerWaalsContact CE2-CB 3.44Å; F108-F113 HydrophobicContact CE2-CD1 4.43Å; F108-F113 AromaticContact CE2-CD2 3.83Å; F108-F113 HydrophobicContact CE2-CD2 3.83Å; F108-F113 AromaticContact CE2-CG 3.65Å; F108-F113 HydrophobicContact CE2-CG 3.65Å; F108-F113 HydrophobicContact CZ-CB 4.44Å; F108-F113 HydrophobicContact CZ-CD2 4.02Å; F108-F113 HydrophobicContact CZ-CG 4.26Å; R109-F113 PolarHBondContact O-N 2.96Å; R109-F113 VanDerWaalsContact O-N 3.14Å; M110-F113 WeakPolarHBondContact O-CB 3.15Å; M110-F113 PolarHBondContact O-N 2.88Å; M110-F113 VanDerWaalsContact O-N 3.16Å; F113-A115 VanDerWaalsContact C-N 3.33Å; F113-A115 PolarHBondContact O-N 3.1Å; F113-Q116 PolarHBondContact O-N 2.88Å; F113-R117 WeakPolarHBondContact O-CB 3.08Å; F113-R117 PolarHBondContact O-N 3.44Å
114L95.3Very high92.1Very high58 Ų5862 Ų6230%0.30431%0.306SS..Hα-helixtrans-61.2-43.5179.3-66.7172.6000110.9M110 S111 Q116 R117 D118M110-L114 HydrophobicContact CG-CD1 4.03Å; M110-L114 HydrophobicContact CG-CG 4.39Å; M110-L114 WeakPolarHBondContact O-CG 3.16Å; M110-L114 PolarHBondContact O-N 2.91Å; S111-L114 PolarHBondContact O-N 3.27Å; L114-Q116 VanDerWaalsContact C-N 3.34Å; L114-Q116 PolarHBondContact O-N 3.08Å; L114-R117 VanDerWaalsContact CD2-NH2 3.31Å; L114-R117 PolarHBondContact O-N 3.21Å; L114-D118 WeakPolarHBondContact O-CB 3.46Å; L114-D118 VanDerWaalsContact O-CG 3.28Å; L114-D118 PolarHBondContact O-N 3.16Å
115A94.5Very high92Very high60 Ų6064.3 Ų64.350%0.49632%0.317SS..Hα-helixtrans-61.1-41.5174.900000112.5S111 F113 N119S111-A115 WeakPolarHBondContact O-CB 3.44Å; S111-A115 PolarHBondContact O-N 2.78Å; F113-A115 VanDerWaalsContact C-N 3.33Å; F113-A115 PolarHBondContact O-N 3.1Å; A115-N119 PolarHBondContact O-N 3.09Å
116Q94.6Very high91.8Very high13 Ų1367.6 Ų67.66%0.06133%0.334CS..Hα-helixtrans-67.1-36.4175.3-172.172.245.900112.1F15 K16 L81 D112 F113 L114 N119 P120 E121F15-Q116 HydrophobicContact CB-CB 3.8Å; F15-Q116 HydrophobicContact CB-CG 3.56Å; F15-Q116 HydrophobicContact CD1-CG 4.41Å; F15-Q116 HydrophobicContact CD2-CB 4.41Å; F15-Q116 HydrophobicContact CG-CB 4.05Å; F15-Q116 HydrophobicContact CG-CG 4.1Å; K16-Q116 VanDerWaalsContact N-OE1 3.16Å; L81-Q116 HydrophobicContact CD1-CG 3.82Å; L81-Q116 HydrophobicContact CD2-CB 4.43Å; L81-Q116 HydrophobicContact CD2-CG 4.06Å; D112-Q116 WeakPolarHBondContact O-CB 3.48Å; D112-Q116 PolarHBondContact O-N 2.76Å; F113-Q116 PolarHBondContact O-N 2.88Å; L114-Q116 VanDerWaalsContact C-N 3.34Å; L114-Q116 PolarHBondContact O-N 3.08Å; Q116-N119 CarbonylContact O-C 3.53Å; Q116-N119 VanDerWaalsContact O-C 3.25Å; Q116-P120 WeakPolarHBondContact O-CA 3.31Å; Q116-P120 WeakPolarHBondContact O-CB 3.03Å; Q116-P120 VanDerWaalsContact O-N 3.13Å; Q116-E121 PolarHBondContact NE2-O 3.3Å
117R93Very high91.6Very high89 Ų8971.4 Ų71.434%0.33635%0.353SS..Hα-helixtrans-66.9-42.5177.5-174178.271.6178.13.4111.4L81 D84 F113 L114L81-R117 HydrophobicContact CB-CG 4.46Å; L81-R117 WeakPolarHBondContact O-CD 3.48Å; L81-R117 WeakPolarHBondContact O-CG 3.41Å; D84-R117 IonicContact OD1-NH1 2.7Å; D84-R117 PolarHBondContact OD1-NH1 3.3Å; F113-R117 WeakPolarHBondContact O-CB 3.08Å; F113-R117 PolarHBondContact O-N 3.44Å; L114-R117 VanDerWaalsContact CD2-NH2 3.31Å; L114-R117 PolarHBondContact O-N 3.21Å
118D93.1Very high91.2Very high126 Ų12675.6 Ų75.667%0.67437%0.373SS*.Hα-helixtrans-73.1-33.9-178.7-68-12.6000112.3L114L114-D118 WeakPolarHBondContact O-CB 3.46Å; L114-D118 VanDerWaalsContact O-CG 3.28Å; L114-D118 PolarHBondContact O-N 3.16Å
119N91.3Very high90.8Very high106 Ų10680.3 Ų80.357%0.56740%0.397SS*.SBendtrans-136.388.6173.8-17631.3000110.9A115 Q116 E121A115-N119 PolarHBondContact O-N 3.09Å; Q116-N119 CarbonylContact O-C 3.53Å; Q116-N119 VanDerWaalsContact O-C 3.25Å; N119-E121 PolarHBondContact O-N 3.46Å
120P84.6Confident90.3Very high80 Ų8080.7 Ų80.752%0.51941%0.405SS..  trans-76.268.9-175.930.2-34.2000111.8L81 Q116L81-P120 HydrophobicContact CD1-CB 4.2Å; Q116-P120 WeakPolarHBondContact O-CA 3.31Å; Q116-P120 WeakPolarHBondContact O-CB 3.03Å; Q116-P120 VanDerWaalsContact O-N 3.13Å
121E85.2Confident89.8Confident82 Ų8283.2 Ų83.238%0.38342%0.417SS..  trans-95.8131.1171.6-171.9-173.9-161.100109.6K16 Q116 N119 L123K16-E121 WeakPolarHBondContact CE-OE2 3.36Å; K16-E121 IonicContact NZ-OE2 2.76Å; K16-E121 PolarHBondContact NZ-OE2 3.45Å; Q116-E121 PolarHBondContact NE2-O 3.3Å; N119-E121 PolarHBondContact O-N 3.46Å; E121-L123 HydrophobicContact CG-CD2 4.41Å
122F81.3Confident89.3Confident88 Ų8884.5 Ų84.539%0.38641%0.413SS..  trans-111.9125.8171.3-62.9-79.3000109.3R18R18-F122 HydrophobicContact CG-CD1 4.19Å
123L82.1Confident88.8Confident47 Ų4787.2 Ų87.225%0.24643%0.425CS..  trans-93.3155171.1-61.6179.2000110.1K16 Y17 E121K16-L123 HydrophobicContact CD-CD1 3.5Å; K16-L123 HydrophobicContact CD-CG 3.8Å; K16-L123 VanDerWaalsContact CE-CD1 3.44Å; K16-L123 VanDerWaalsContact CE-CG 3.48Å; K16-L123 HydrophobicContact CG-CB 4.11Å; K16-L123 HydrophobicContact CG-CD1 3.84Å; K16-L123 HydrophobicContact CG-CG 3.66Å; K16-L123 PolarHBondContact O-N 2.89Å; Y17-L123 HydrophobicContact CD1-CB 3.99Å; Y17-L123 HydrophobicContact CE1-CB 3.8Å; Y17-L123 HydrophobicContact CE1-CD1 3.76Å; Y17-L123 HydrophobicContact CE1-CG 4.43Å; E121-L123 HydrophobicContact CG-CD2 4.41Å
124W74.2Confident88.1Confident297 Ų29795.1 Ų95.1100%1.12546%0.463SS*.  trans-99.80177.127-74.6000110.1

Retrieved 124 of 124 residues in 225.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).