A0A060XL37_ONCMY Loading...

Adenine phosphoribosyltransferase

Catalyzes a salvage reaction resulting in the formation of AMP, that is energically less costly than de novo synthesis.

AlphaFold DB , UniProt , Accession A0A060XL37, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene aprt, Length 182 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
1M43.3Very low80.2Confident229 Ų229100.5 Ų100.5100%1.12854%0.538SS*.  0136.50-68175.489.700106.9V3M1-V3 PolarHBondContact O-N 3.09Å
2A46.2Very low81.6Confident73 Ų7396.7 Ų96.760%0.60352%0.516SS*.  trans-57.2125.9-177.900000109.3H4A2-H4 VanDerWaalsContact C-N 3.26Å; A2-H4 PolarHBondContact O-CD2 2.82Å; A2-H4 PolarHBondContact O-N 3.19Å
3V52.2Low82.9Confident143 Ų14389.2 Ų89.287%0.86748%0.477SS*.  trans-69.392.7171.4-179.10000106M1 T5M1-V3 PolarHBondContact O-N 3.09Å; V3-T5 PolarHBondContact O-N 3.41Å
4H70.8Confident83.9Confident110 Ų11086.8 Ų86.851%0.50947%0.467SS..  trans-68.7130.1173.7-66.8-66.8000108.3A2 A8 K9A2-H4 VanDerWaalsContact C-N 3.26Å; A2-H4 PolarHBondContact O-CD2 2.82Å; A2-H4 PolarHBondContact O-N 3.19Å; H4-A8 HydrophobicContact CB-CB 4.25Å; H4-K9 HydrophobicContact CB-CG 3.97Å; H4-K9 VanDerWaalsContact O-CE 3.28Å; H4-K9 WeakPolarHBondContact O-CE 3.48Å
5T91.6Very high84.9Confident90 Ų9091.2 Ų91.255%0.55248%0.48SS*.  trans-59.2157.8173.858.80000110.2V3 E7 A8 K9V3-T5 PolarHBondContact O-N 3.41Å; T5-E7 PolarHBondContact O-N 3.16Å; T5-A8 PolarHBondContact O-N 2.91Å; T5-A8 VanDerWaalsContact O-N 3.09Å; T5-A8 WeakPolarHBondContact OG1-CB 3.37Å; T5-A8 PolarHBondContact OG1-N 3.08Å; T5-K9 PolarHBondContact O-N 3.07Å
6R93.3Very high85.7Confident119 Ų11987.7 Ų87.745%0.44946%0.46SS..Hα-helixtrans-51.8-41.3175.9-172.5179.7-178.4-83-5111.9K9 L10 L49R6-K9 PolarHBondContact O-N 3.02Å; R6-L10 HydrophobicContact CG-CD1 4.38Å; R6-L10 WeakPolarHBondContact O-CG 3.48Å; R6-L10 PolarHBondContact O-N 3.22Å; R6-L49 HydrophobicContact CG-CD2 3.6Å
7E95.3Very high86.4Confident142 Ų14283 Ų8366%0.66444%0.436SS*.Hα-helixtrans-62.4-49.2176.2-172.9176.3-166.700112.2T5 K9 L10 D11T5-E7 PolarHBondContact O-N 3.16Å; E7-K9 VanDerWaalsContact C-N 3.26Å; E7-K9 PolarHBondContact O-N 2.97Å; E7-L10 PolarHBondContact O-N 3.41Å; E7-L10 VanDerWaalsContact O-N 3.08Å; E7-D11 PolarHBondContact O-N 3.35Å
8A96.3Very high87Confident37 Ų3783.9 Ų83.931%0.30644%0.435SS..Hα-helixtrans-61.3-34.9177.900000112.7H4 T5 L12H4-A8 HydrophobicContact CB-CB 4.25Å; T5-A8 PolarHBondContact O-N 2.91Å; T5-A8 VanDerWaalsContact O-N 3.09Å; T5-A8 WeakPolarHBondContact OG1-CB 3.37Å; T5-A8 PolarHBondContact OG1-N 3.08Å; A8-L12 WeakPolarHBondContact O-CB 3.39Å; A8-L12 PolarHBondContact O-N 3.27Å
9K97.6Very high87.5Confident31 Ų3183.5 Ų83.514%0.13544%0.438CS..Hα-helixtrans-65.8-45.9173.3-69.8178.4-175.1-179.20111.2H4 T5 R6 E7 L12 V13 A45 D48 L49H4-K9 HydrophobicContact CB-CG 3.97Å; H4-K9 VanDerWaalsContact O-CE 3.28Å; H4-K9 WeakPolarHBondContact O-CE 3.48Å; T5-K9 PolarHBondContact O-N 3.07Å; R6-K9 PolarHBondContact O-N 3.02Å; E7-K9 VanDerWaalsContact C-N 3.26Å; E7-K9 PolarHBondContact O-N 2.97Å; K9-L12 WeakPolarHBondContact O-CB 3.26Å; K9-L12 PolarHBondContact O-N 3.3Å; K9-V13 WeakPolarHBondContact O-CG2 3.31Å; K9-V13 PolarHBondContact O-N 2.89Å; K9-A45 HydrophobicContact CB-CB 3.98Å; K9-A45 HydrophobicContact CG-CB 4.15Å; K9-D48 HydrophobicContact CD-CB 4.03Å; K9-D48 VanDerWaalsContact CE-OD2 3.25Å; K9-D48 WeakPolarHBondContact CE-OD2 3.32Å; K9-D48 IonicContact NZ-OD2 3.71Å; K9-D48 PolarHBondContact NZ-OD2 2.77Å; K9-L49 HydrophobicContact CB-CD1 3.88Å; K9-L49 HydrophobicContact CB-CD2 4.06Å; K9-L49 HydrophobicContact CB-CG 3.96Å; K9-L49 HydrophobicContact CD-CD2 4.34Å; K9-L49 HydrophobicContact CD-CG 4.28Å
10L97.6Very high87.9Confident29 Ų2985.1 Ų85.115%0.15244%0.442CS..Hα-helixtrans-63.5-40.8177.9-75.2170.3000112.6R6 E7 L12 V13 T14 L49 L179R6-L10 HydrophobicContact CG-CD1 4.38Å; R6-L10 WeakPolarHBondContact O-CG 3.48Å; R6-L10 PolarHBondContact O-N 3.22Å; E7-L10 PolarHBondContact O-N 3.41Å; E7-L10 VanDerWaalsContact O-N 3.08Å; L10-L12 VanDerWaalsContact C-N 3.32Å; L10-L12 PolarHBondContact O-N 2.9Å; L10-V13 PolarHBondContact O-N 3.33Å; L10-T14 WeakPolarHBondContact O-CB 3.38Å; L10-T14 PolarHBondContact O-N 2.97Å; L10-T14 PolarHBondContact O-OG1 3.05Å; L10-L49 HydrophobicContact CD2-CD1 3.69Å; L10-L49 HydrophobicContact CD2-CD2 4.48Å; L10-L49 HydrophobicContact CG-CD1 3.97Å; L10-L49 HydrophobicContact CG-CD2 4.23Å; L10-L179 HydrophobicContact CD2-CB 4.15Å; L10-L179 VanDerWaalsContact CD2-O 3.28Å; L10-L179 WeakPolarHBondContact CD2-O 3.13Å
11D97.6Very high88.3Confident103 Ų10384.9 Ų84.955%0.55145%0.446SS*.Hα-helixtrans-60.9-43.5174.1-81.91.9000111.3E7 T14 K15E7-D11 PolarHBondContact O-N 3.35Å; D11-T14 PolarHBondContact O-N 3.48Å; D11-K15 VanDerWaalsContact O-CB 3.31Å; D11-K15 WeakPolarHBondContact O-CB 3.22Å; D11-K15 PolarHBondContact O-N 2.78Å
12L97.4Very high90.8Very high54 Ų5478.3 Ų78.328%0.28342%0.415SS..Hα-helixtrans-61.8-45.9177.1-174.263.1000111.3A8 K9 L10 H16 A42 A45A8-L12 WeakPolarHBondContact O-CB 3.39Å; A8-L12 PolarHBondContact O-N 3.27Å; K9-L12 WeakPolarHBondContact O-CB 3.26Å; K9-L12 PolarHBondContact O-N 3.3Å; L10-L12 VanDerWaalsContact C-N 3.32Å; L10-L12 PolarHBondContact O-N 2.9Å; L12-H16 PolarHBondContact O-N 2.91Å; L12-H16 PolarHBondContact O-ND1 2.85Å; L12-A42 HydrophobicContact CG-CB 4.22Å; L12-A45 HydrophobicContact CD2-CB 4.18Å
13V98.1Very high93Very high0 Ų079.5 Ų79.50%041%0.407CS..Hα-helixtrans-60-51175.7173.50000110.5K9 L10 K15 H16 I17 I36 A45 V46 L49 I159 V180K9-V13 WeakPolarHBondContact O-CG2 3.31Å; K9-V13 PolarHBondContact O-N 2.89Å; L10-V13 PolarHBondContact O-N 3.33Å; V13-K15 VanDerWaalsContact C-N 3.34Å; V13-K15 PolarHBondContact O-N 3.12Å; V13-H16 PolarHBondContact O-N 2.91Å; V13-I17 HydrophobicContact CG1-CD1 4.35Å; V13-I17 PolarHBondContact O-N 3.36Å; V13-I36 HydrophobicContact CG1-CD1 4.04Å; V13-A45 HydrophobicContact CG2-CB 4.03Å; V13-V46 HydrophobicContact CB-CG2 4.42Å; V13-V46 HydrophobicContact CG1-CG2 3.97Å; V13-V46 HydrophobicContact CG2-CG2 3.55Å; V13-L49 HydrophobicContact CG2-CD1 4.21Å; V13-I159 HydrophobicContact CG1-CG2 4.03Å; V13-V180 HydrophobicContact CG1-CG2 4.09Å
14T97.9Very high94.8Very high55 Ų5577.2 Ų77.234%0.33740%0.395SS..Hα-helixtrans-60.2-42.5-176.7-570000111.9L10 D11 H16 I17 V180L10-T14 WeakPolarHBondContact O-CB 3.38Å; L10-T14 PolarHBondContact O-N 2.97Å; L10-T14 PolarHBondContact O-OG1 3.05Å; D11-T14 PolarHBondContact O-N 3.48Å; T14-H16 PolarHBondContact O-N 2.93Å; T14-I17 PolarHBondContact O-N 3.42Å; T14-I17 VanDerWaalsContact O-N 3.13Å; T14-V180 HydrophobicContact CG2-CG1 4.37Å; T14-V180 WeakPolarHBondContact OG1-CG2 3.27Å
15K97.7Very high95.8Very high153 Ų15375 Ų7567%0.66539%0.392SS*.Hα-helixtrans-61.7-26.3178.3-174.6179178.1-176.90113.4D11 V13 K18D11-K15 VanDerWaalsContact O-CB 3.31Å; D11-K15 WeakPolarHBondContact O-CB 3.22Å; D11-K15 PolarHBondContact O-N 2.78Å; V13-K15 VanDerWaalsContact C-N 3.34Å; V13-K15 PolarHBondContact O-N 3.12Å; K15-K18 PolarHBondContact O-NZ 2.92Å
16H98.2Very high96Very high35 Ų3579.7 Ų79.716%0.16241%0.405CS..Hα-helixtrans-93.2-4.3-179.6-71.586.8000113.7L12 V13 T14 P35 I36 D39 A42L12-H16 PolarHBondContact O-N 2.91Å; L12-H16 PolarHBondContact O-ND1 2.85Å; V13-H16 PolarHBondContact O-N 2.91Å; T14-H16 PolarHBondContact O-N 2.93Å; H16-P35 HydrophobicContact CB-CB 4.45Å; H16-P35 WeakPolarHBondContact O-CB 3.2Å; H16-I36 HydrophobicContact CB-CG1 3.68Å; H16-D39 IonicContact NE2-OD2 3.06Å; H16-A42 HydrophobicContact CB-CB 4.24Å
17I98.1Very high95.9Very high8 Ų877.4 Ų77.44%0.04142%0.418CS..  trans-83.7122.4168.4-61.3166.3000108.1V13 T14 R31 D32 I36 I159 I160 V180 Y182V13-I17 HydrophobicContact CG1-CD1 4.35Å; V13-I17 PolarHBondContact O-N 3.36Å; T14-I17 PolarHBondContact O-N 3.42Å; T14-I17 VanDerWaalsContact O-N 3.13Å; I17-R31 HydrophobicContact CG2-CB 3.94Å; I17-D32 WeakPolarHBondContact CA-O 3.38Å; I17-I36 HydrophobicContact CG1-CD1 3.87Å; I17-I159 HydrophobicContact CD1-CG2 4.41Å; I17-I160 HydrophobicContact CD1-CD1 3.72Å; I17-I160 HydrophobicContact CD1-CG1 3.79Å; I17-I160 HydrophobicContact CG1-CD1 4.05Å; I17-I160 HydrophobicContact CG2-CD1 3.7Å; I17-V180 HydrophobicContact CD1-CB 4.13Å; I17-V180 HydrophobicContact CD1-CG1 4.3Å; I17-V180 HydrophobicContact CD1-CG2 3.92Å; I17-Y182 HydrophobicContact CD1-CE2 4.41Å; I17-Y182 HydrophobicContact CG2-CE2 4.25Å; I17-Y182 WeakPolarHBondContact CG2-OH 3.34Å
18K96.8Very high95.8Very high100 Ų10074.3 Ų74.344%0.43541%0.405SS..EExtended strand (participates in β ladder)trans-108.7131.1-178.9-62.4-58-176.7-156.90111.3K15 D32 P35K15-K18 PolarHBondContact O-NZ 2.92Å; K18-D32 PolarHBondContact N-O 2.92Å; K18-D32 PolarHBondContact O-N 3.39Å; K18-P35 HydrophobicContact CG-CG 3.88Å
19P96.8Very high95.7Very high75 Ų7576.5 Ų76.549%0.48741%0.411SS..EExtended strand (participates in β ladder)trans-69.9137.1169.729.1-31.5000109.7L29 F30P19-L29 HydrophobicContact CB-CD1 3.78Å; P19-L29 HydrophobicContact CB-CD2 4.36Å; P19-L29 HydrophobicContact CB-CG 4.21Å; P19-F30 CarbonylContact C-O 3.54Å; P19-F30 WeakPolarHBondContact CA-O 3.24Å
20F95.6Very high95.6Very high116 Ų11677.5 Ų77.551%0.50942%0.416SS..EExtended strand (participates in β ladder)trans-129105172.5-166.2-73.9000108.5F23 F30F20-F23 HydrophobicContact CD1-CB 3.56Å; F20-F23 HydrophobicContact CD1-CG 4.29Å; F20-F23 HydrophobicContact CE1-CB 3.91Å; F20-F23 HydrophobicContact CE1-CG 4.46Å; F20-F30 HydrophobicContact CB-CB 4.24Å; F20-F30 PolarHBondContact N-O 3.37Å; F20-F30 WeakPolarHBondContact O-CB 3.37Å; F20-F30 PolarHBondContact O-N 2.95Å
21P96.7Very high95.6Very high81 Ų8178.4 Ų78.453%0.52642%0.417SS..EExtended strand (participates in β ladder)trans-71.7154.6-175.530.1-34.7000112F23 I28 L29P21-F23 VanDerWaalsContact C-N 3.3Å; P21-F23 PolarHBondContact O-N 2.68Å; P21-I28 CarbonylContact C-O 3.51Å; P21-L29 HydrophobicContact CB-CD1 4.23Å
22D94.4Very high95.6Very high91 Ų9175.5 Ų75.549%0.48740%0.401SS..THydrogen-bonded Turntrans58.136.2173.7-61.1-44.3000114.6S25 K26 G27 I28D22-S25 CarbonylContact C-O 3.55Å; D22-S25 WeakPolarHBondContact CA-O 3.38Å; D22-S25 CarbonylContact O-C 3.5Å; D22-K26 WeakPolarHBondContact OD1-CA 3.5Å; D22-G27 PolarHBondContact OD1-N 2.79Å; D22-I28 WeakPolarHBondContact CA-O 3.28Å; D22-I28 PolarHBondContact N-O 2.82Å
23F93.4Very high95.6Very high98 Ų9873.2 Ų73.243%0.4339%0.389SS..  trans-132.4136.9176.2-174.3-88.6000111.8F20 P21 S25 I28 F30F20-F23 HydrophobicContact CD1-CB 3.56Å; F20-F23 HydrophobicContact CD1-CG 4.29Å; F20-F23 HydrophobicContact CE1-CB 3.91Å; F20-F23 HydrophobicContact CE1-CG 4.46Å; P21-F23 VanDerWaalsContact C-N 3.3Å; P21-F23 PolarHBondContact O-N 2.68Å; F23-S25 VanDerWaalsContact C-N 3.25Å; F23-S25 PolarHBondContact N-O 2.72Å; F23-I28 PolarHBondContact N-O 3.06Å; F23-I28 WeakPolarHBondContact O-CB 3.2Å; F23-I28 WeakPolarHBondContact O-CG2 3.27Å; F23-F30 HydrophobicContact CB-CB 4.16Å; F23-F30 HydrophobicContact CD1-CB 3.99Å; F23-F30 HydrophobicContact CD1-CD1 4.24Å; F23-F30 AromaticContact CD1-CD2 3.66Å; F23-F30 HydrophobicContact CD1-CD2 3.66Å; F23-F30 HydrophobicContact CD1-CE2 4.14Å; F23-F30 AromaticContact CD1-CG 3.71Å; F23-F30 HydrophobicContact CD1-CG 3.71Å; F23-F30 HydrophobicContact CE1-CD2 4.08Å; F23-F30 HydrophobicContact CE1-CE2 4.08Å; F23-F30 HydrophobicContact CE1-CG 4.38Å; F23-F30 HydrophobicContact CE1-CZ 4.4Å; F23-F30 WeakPolarHBondContact O-CB 3.49Å
24P90.3Very high95.5Very high94 Ų9476.8 Ų76.861%0.6141%0.413SS*.SBendcis-76-6.2-1.132.9-37.4000114I28P24-I28 HydrophobicContact CG-CD1 4.49Å
25S91.4Very high95.6Very high64 Ų6475.7 Ų75.745%0.44841%0.407SS..SBendtrans-140.4163.6176.859.30000110.7D22 F23 G27 I28D22-S25 CarbonylContact C-O 3.55Å; D22-S25 WeakPolarHBondContact CA-O 3.38Å; D22-S25 CarbonylContact O-C 3.5Å; F23-S25 VanDerWaalsContact C-N 3.25Å; F23-S25 PolarHBondContact N-O 2.72Å; S25-G27 PolarHBondContact O-N 2.74Å; S25-I28 PolarHBondContact O-N 2.94Å; S25-I28 VanDerWaalsContact OG-CD1 3.27Å; S25-I28 WeakPolarHBondContact OG-CD1 3.5Å
26K94.8Very high95.6Very high189 Ų18968.4 Ų68.482%0.82238%0.375SS*.THydrogen-bonded Turntrans-55.7134.3179.7-172.2178.5-179.8179.90111.5D22D22-K26 WeakPolarHBondContact OD1-CA 3.5Å
27G93Very high95.6Very high70 Ų7069.5 Ų69.572%0.72238%0.382SS*.THydrogen-bonded Turntrans92.6-8.2179.900000115D22 S25D22-G27 PolarHBondContact OD1-N 2.79Å; S25-G27 PolarHBondContact O-N 2.74Å
28I91.3Very high95.6Very high77 Ų7778 Ų7840%0.39542%0.419SS..  trans-96.4128177.5-58.1179.6000110P21 D22 F23 P24 S25P21-I28 CarbonylContact C-O 3.51Å; D22-I28 WeakPolarHBondContact CA-O 3.28Å; D22-I28 PolarHBondContact N-O 2.82Å; F23-I28 PolarHBondContact N-O 3.06Å; F23-I28 WeakPolarHBondContact O-CB 3.2Å; F23-I28 WeakPolarHBondContact O-CG2 3.27Å; P24-I28 HydrophobicContact CG-CD1 4.49Å; S25-I28 PolarHBondContact O-N 2.94Å; S25-I28 VanDerWaalsContact OG-CD1 3.27Å; S25-I28 WeakPolarHBondContact OG-CD1 3.5Å
29L94.9Very high95.6Very high83 Ų8375.9 Ų75.944%0.43541%0.412SS..EExtended strand (participates in β ladder)trans-93.395.8170.9-171.964.5000110P19 P21P19-L29 HydrophobicContact CB-CD1 3.78Å; P19-L29 HydrophobicContact CB-CD2 4.36Å; P19-L29 HydrophobicContact CB-CG 4.21Å; P21-L29 HydrophobicContact CB-CD1 4.23Å
30F95.8Very high95.7Very high53 Ų5376.8 Ų76.823%0.23242%0.418CS..EExtended strand (participates in β ladder)trans-70.5142.9178.6-168.7-96.4000111.2P19 F20 F23 D32P19-F30 CarbonylContact C-O 3.54Å; P19-F30 WeakPolarHBondContact CA-O 3.24Å; F20-F30 HydrophobicContact CB-CB 4.24Å; F20-F30 PolarHBondContact N-O 3.37Å; F20-F30 WeakPolarHBondContact O-CB 3.37Å; F20-F30 PolarHBondContact O-N 2.95Å; F23-F30 HydrophobicContact CB-CB 4.16Å; F23-F30 HydrophobicContact CD1-CB 3.99Å; F23-F30 HydrophobicContact CD1-CD1 4.24Å; F23-F30 AromaticContact CD1-CD2 3.66Å; F23-F30 HydrophobicContact CD1-CD2 3.66Å; F23-F30 HydrophobicContact CD1-CE2 4.14Å; F23-F30 AromaticContact CD1-CG 3.71Å; F23-F30 HydrophobicContact CD1-CG 3.71Å; F23-F30 HydrophobicContact CE1-CD2 4.08Å; F23-F30 HydrophobicContact CE1-CE2 4.08Å; F23-F30 HydrophobicContact CE1-CG 4.38Å; F23-F30 HydrophobicContact CE1-CZ 4.4Å; F23-F30 WeakPolarHBondContact O-CB 3.49Å; F30-D32 HydrophobicContact CD1-CB 4.21Å; F30-D32 HydrophobicContact CE1-CB 4.26Å
31R96.9Very high95.8Very high48 Ų4872.9 Ų72.918%0.18141%0.411CS..EExtended strand (participates in β ladder)trans-105.498.9175.2-57.4-62.2-177174.2-0.4108.9I17 L132 I160 L162 Y182I17-R31 HydrophobicContact CG2-CB 3.94Å; R31-L132 HydrophobicContact CB-CD1 4.24Å; R31-I160 HydrophobicContact CB-CD1 3.62Å; R31-I160 HydrophobicContact CG-CD1 4.48Å; R31-I160 HydrophobicContact CG-CG2 4.45Å; R31-L162 HydrophobicContact CG-CD2 4.3Å; R31-Y182 HydrophobicContact CG-CD2 4.28Å; R31-Y182 HydrophobicContact CG-CE2 4.32Å; R31-Y182 VanDerWaalsContact CZ-CD1 3.4Å; R31-Y182 VanDerWaalsContact NH2-CD1 3.34Å
32D97.3Very high95.8Very high42 Ų4269 Ų6923%0.22539%0.386CS..EExtended strand (participates in β ladder)trans-79.7122.2-179.3-178.924.8000111.4I17 K18 F30 C34I17-D32 WeakPolarHBondContact CA-O 3.38Å; K18-D32 PolarHBondContact N-O 2.92Å; K18-D32 PolarHBondContact O-N 3.39Å; F30-D32 HydrophobicContact CD1-CB 4.21Å; F30-D32 HydrophobicContact CE1-CB 4.26Å; D32-C34 VanDerWaalsContact OD1-CB 3.26Å; D32-C34 WeakPolarHBondContact OD1-CB 3.36Å; D32-C34 PolarHBondContact OD1-N 2.91Å; D32-C34 PolarHBondContact OD1-SG 3.09Å
33I97.9Very high96Very high6 Ų666.6 Ų66.63%0.03137%0.373CS..  trans-96.5-7177.158.6148.1000113.1P35 I36 F74 D131 I160I33-P35 VanDerWaalsContact C-N 3.27Å; I33-P35 VanDerWaalsContact O-N 3.16Å; I33-I36 HydrophobicContact CB-CD1 4.2Å; I33-I36 HydrophobicContact CG2-CD1 4.27Å; I33-I36 VanDerWaalsContact O-CB 3.25Å; I33-I36 WeakPolarHBondContact O-CB 3.45Å; I33-I36 PolarHBondContact O-N 2.97Å; I33-F74 HydrophobicContact CD1-CE2 3.6Å; I33-F74 HydrophobicContact CD1-CZ 3.82Å; I33-D131 HydrophobicContact CD1-CB 3.65Å; I33-I160 HydrophobicContact CG2-CD1 3.62Å; I33-I160 HydrophobicContact CG2-CG1 4.37Å
34C97.3Very high96.3Very high74 Ų7464.9 Ų64.950%0.537%0.37SS..Hα-helixtrans-54-35.7-177.6-65.30000113.9D32 I36 L37 K38D32-C34 VanDerWaalsContact OD1-CB 3.26Å; D32-C34 WeakPolarHBondContact OD1-CB 3.36Å; D32-C34 PolarHBondContact OD1-N 2.91Å; D32-C34 PolarHBondContact OD1-SG 3.09Å; C34-I36 PolarHBondContact O-N 3.26Å; C34-L37 WeakPolarHBondContact O-CB 3.49Å; C34-L37 PolarHBondContact O-N 2.87Å; C34-L37 VanDerWaalsContact O-N 3.11Å; C34-K38 PolarHBondContact O-N 3.05Å
35P98.2Very high96.7Very high32 Ų3260.6 Ų60.621%0.20834%0.343CS..Hα-helixtrans-65.9-23.5176.3-20.733.5000114H16 K18 I33 K38 D39H16-P35 HydrophobicContact CB-CB 4.45Å; H16-P35 WeakPolarHBondContact O-CB 3.2Å; K18-P35 HydrophobicContact CG-CG 3.88Å; I33-P35 VanDerWaalsContact C-N 3.27Å; I33-P35 VanDerWaalsContact O-N 3.16Å; P35-K38 PolarHBondContact O-N 2.9Å; P35-D39 PolarHBondContact O-N 3.49Å
36I98.4Very high97Very high0 Ų057.6 Ų57.60%032%0.321CS..Hα-helixtrans-63.1-45.4170.8-64.2171.4000109.7V13 H16 I17 I33 C34 K38 D39 A42 L43 V46 F74 I159V13-I36 HydrophobicContact CG1-CD1 4.04Å; H16-I36 HydrophobicContact CB-CG1 3.68Å; I17-I36 HydrophobicContact CG1-CD1 3.87Å; I33-I36 HydrophobicContact CB-CD1 4.2Å; I33-I36 HydrophobicContact CG2-CD1 4.27Å; I33-I36 VanDerWaalsContact O-CB 3.25Å; I33-I36 WeakPolarHBondContact O-CB 3.45Å; I33-I36 PolarHBondContact O-N 2.97Å; C34-I36 PolarHBondContact O-N 3.26Å; I36-K38 VanDerWaalsContact C-N 3.26Å; I36-K38 PolarHBondContact O-N 3.25Å; I36-D39 PolarHBondContact O-N 3.23Å; I36-A42 HydrophobicContact CB-CB 4.5Å; I36-A42 HydrophobicContact CG2-CB 4.19Å; I36-L43 PolarHBondContact O-N 3.36Å; I36-V46 HydrophobicContact CD1-CG2 4.42Å; I36-V46 HydrophobicContact CG2-CG2 3.72Å; I36-F74 HydrophobicContact CG2-CE1 4.34Å; I36-I159 HydrophobicContact CD1-CG2 4.24Å
37L97.8Very high97.2Very high59 Ų5948.9 Ų48.931%0.30928%0.284SS..Hα-helixtrans-67.5-30.4-178.2-55.6169.2000112.1C34 L43 L73 F74C34-L37 WeakPolarHBondContact O-CB 3.49Å; C34-L37 PolarHBondContact O-N 2.87Å; C34-L37 VanDerWaalsContact O-N 3.11Å; L37-L43 HydrophobicContact CD2-CD1 4.26Å; L37-L73 HydrophobicContact CD1-CD1 3.74Å; L37-L73 HydrophobicContact CD2-CB 4.09Å; L37-L73 HydrophobicContact CD2-CD1 4.49Å; L37-F74 HydrophobicContact CD2-CE1 3.71Å; L37-F74 HydrophobicContact CD2-CE2 4.39Å; L37-F74 HydrophobicContact CD2-CZ 3.55Å; L37-F74 HydrophobicContact CG-CZ 4.4Å
38K97.9Very high97.5Very high187 Ų18747 Ų4781%0.81326%0.257SS*.Hα-helixtrans-75.7-26.7178.9-172.9176177.3-179.10112.7C34 P35 I36C34-K38 PolarHBondContact O-N 3.05Å; P35-K38 PolarHBondContact O-N 2.9Å; I36-K38 VanDerWaalsContact C-N 3.26Å; I36-K38 PolarHBondContact O-N 3.25Å
39D98.1Very high97.8Very high54 Ų5443.5 Ų43.529%0.28924%0.24SC..  trans-100.8111.7180-173.5-84.6000110.9H16 P35 I36 G41 A42 L43H16-D39 IonicContact NE2-OD2 3.06Å; P35-D39 PolarHBondContact O-N 3.49Å; I36-D39 PolarHBondContact O-N 3.23Å; D39-G41 PolarHBondContact O-N 2.88Å; D39-G41 VanDerWaalsContact O-N 3.16Å; D39-G41 VanDerWaalsContact OD1-CA 3.31Å; D39-G41 WeakPolarHBondContact OD1-CA 3.11Å; D39-G41 PolarHBondContact OD1-N 3.08Å; D39-A42 HydrophobicContact CB-CB 3.95Å; D39-A42 PolarHBondContact O-N 3.33Å; D39-A42 PolarHBondContact OD1-N 2.91Å; D39-L43 PolarHBondContact O-N 2.88Å
40P97.6Very high98Very high95 Ų9539.6 Ų39.662%0.61722%0.219SC*.Hα-helixtrans-58.5-31.2-178.3-25.734.4000113.7T44P40-T44 VanDerWaalsContact O-CB 3.28Å; P40-T44 WeakPolarHBondContact O-CB 3.37Å; P40-T44 PolarHBondContact O-N 3.46Å; P40-T44 PolarHBondContact O-OG1 3.13Å
41G97.8Very high98.1Very high34 Ų3438.4 Ų38.435%0.35121%0.214SC..Hα-helixtrans-70.2-46178.700000111.8D39 T44 A45D39-G41 PolarHBondContact O-N 2.88Å; D39-G41 VanDerWaalsContact O-N 3.16Å; D39-G41 VanDerWaalsContact OD1-CA 3.31Å; D39-G41 WeakPolarHBondContact OD1-CA 3.11Å; D39-G41 PolarHBondContact OD1-N 3.08Å; G41-T44 PolarHBondContact O-N 2.84Å; G41-A45 WeakPolarHBondContact O-CB 3.39Å; G41-A45 PolarHBondContact O-N 2.89Å
42A98.2Very high98.2Very high0 Ų039.3 Ų39.30%022%0.22CC..Hα-helixtrans-65.2-43.217700000111.7L12 H16 I36 D39 A45 V46L12-A42 HydrophobicContact CG-CB 4.22Å; H16-A42 HydrophobicContact CB-CB 4.24Å; I36-A42 HydrophobicContact CB-CB 4.5Å; I36-A42 HydrophobicContact CG2-CB 4.19Å; D39-A42 HydrophobicContact CB-CB 3.95Å; D39-A42 PolarHBondContact O-N 3.33Å; D39-A42 PolarHBondContact OD1-N 2.91Å; A42-A45 WeakPolarHBondContact O-CB 3.43Å; A42-A45 PolarHBondContact O-N 3.15Å; A42-V46 PolarHBondContact O-N 3.39Å
43L98.6Very high98.2Very high40 Ų4038.8 Ų38.821%0.20922%0.216CC..Hα-helixtrans-60-46.6174179.658.2000111.3I36 L37 D39 A45 V46 I47 F74 L77I36-L43 PolarHBondContact O-N 3.36Å; L37-L43 HydrophobicContact CD2-CD1 4.26Å; D39-L43 PolarHBondContact O-N 2.88Å; L43-A45 VanDerWaalsContact C-N 3.28Å; L43-A45 PolarHBondContact O-N 3.16Å; L43-V46 PolarHBondContact O-N 3.47Å; L43-I47 HydrophobicContact CD1-CG1 4.4Å; L43-I47 WeakPolarHBondContact O-CG1 3.21Å; L43-I47 PolarHBondContact O-N 2.9Å; L43-I47 VanDerWaalsContact O-N 3.17Å; L43-F74 HydrophobicContact CD1-CD1 3.92Å; L43-F74 HydrophobicContact CD1-CE1 3.76Å; L43-L77 HydrophobicContact CD1-CD1 3.97Å; L43-L77 HydrophobicContact CD2-CD1 4.2Å; L43-L77 HydrophobicContact CG-CD1 4.33Å
44T98.4Very high98.3Very high62 Ų6238.5 Ų38.538%0.3822%0.215SC..Hα-helixtrans-59.6-41.6175.8-59.70000111.1P40 G41 I47 D48P40-T44 VanDerWaalsContact O-CB 3.28Å; P40-T44 WeakPolarHBondContact O-CB 3.37Å; P40-T44 PolarHBondContact O-N 3.46Å; P40-T44 PolarHBondContact O-OG1 3.13Å; G41-T44 PolarHBondContact O-N 2.84Å; T44-I47 PolarHBondContact O-N 2.98Å; T44-D48 VanDerWaalsContact O-CB 3.3Å; T44-D48 WeakPolarHBondContact O-CB 3.23Å; T44-D48 VanDerWaalsContact O-CG 3.32Å; T44-D48 PolarHBondContact O-N 3.23Å
45A98.5Very high98.3Very high4 Ų441.1 Ų41.13%0.03322%0.215CC..Hα-helixtrans-62.9-42.9178.600000112.8K9 L12 V13 G41 A42 L43 I47 D48 L49K9-A45 HydrophobicContact CB-CB 3.98Å; K9-A45 HydrophobicContact CG-CB 4.15Å; L12-A45 HydrophobicContact CD2-CB 4.18Å; V13-A45 HydrophobicContact CG2-CB 4.03Å; G41-A45 WeakPolarHBondContact O-CB 3.39Å; G41-A45 PolarHBondContact O-N 2.89Å; A42-A45 WeakPolarHBondContact O-CB 3.43Å; A42-A45 PolarHBondContact O-N 3.15Å; L43-A45 VanDerWaalsContact C-N 3.28Å; L43-A45 PolarHBondContact O-N 3.16Å; A45-I47 PolarHBondContact O-N 3.32Å; A45-D48 PolarHBondContact O-N 3.34Å; A45-L49 WeakPolarHBondContact O-CB 3.48Å; A45-L49 WeakPolarHBondContact O-CD1 3.5Å; A45-L49 WeakPolarHBondContact O-CG 3.35Å; A45-L49 PolarHBondContact O-N 3.01Å
46V98.6Very high98.3Very high0 Ų045.9 Ų45.90%023%0.234CC..Hα-helixtrans-57.2-51.2174.6169.10000110.6V13 I36 A42 L43 L49 F50 F74 I159 L179V13-V46 HydrophobicContact CB-CG2 4.42Å; V13-V46 HydrophobicContact CG1-CG2 3.97Å; V13-V46 HydrophobicContact CG2-CG2 3.55Å; I36-V46 HydrophobicContact CD1-CG2 4.42Å; I36-V46 HydrophobicContact CG2-CG2 3.72Å; A42-V46 PolarHBondContact O-N 3.39Å; L43-V46 PolarHBondContact O-N 3.47Å; V46-L49 PolarHBondContact O-N 3.04Å; V46-F50 HydrophobicContact CG1-CD2 3.74Å; V46-F50 HydrophobicContact CG1-CE2 3.49Å; V46-F50 VanDerWaalsContact CG1-CE2 3.49Å; V46-F50 WeakPolarHBondContact O-CD2 3.31Å; V46-F50 PolarHBondContact O-N 3.26Å; V46-F50 VanDerWaalsContact O-N 3.1Å; V46-F74 HydrophobicContact CG1-CD1 3.77Å; V46-F74 HydrophobicContact CG1-CE1 4.07Å; V46-F74 HydrophobicContact CG1-CG 4.47Å; V46-I159 HydrophobicContact CG1-CD1 3.86Å; V46-I159 HydrophobicContact CG1-CG1 4.01Å; V46-I159 HydrophobicContact CG2-CD1 4.36Å; V46-L179 HydrophobicContact CB-CD1 4.32Å; V46-L179 HydrophobicContact CG1-CD1 3.97Å; V46-L179 HydrophobicContact CG2-CD1 4.26Å
47I98.7Very high98.3Very high6 Ų649 Ų493%0.03125%0.253CS..Hα-helixtrans-68.1-40.1-175.7-60.5-57.4000111.3L43 T44 A45 L49 F50 E51 F74 L77 R81L43-I47 HydrophobicContact CD1-CG1 4.4Å; L43-I47 WeakPolarHBondContact O-CG1 3.21Å; L43-I47 PolarHBondContact O-N 2.9Å; L43-I47 VanDerWaalsContact O-N 3.17Å; T44-I47 PolarHBondContact O-N 2.98Å; A45-I47 PolarHBondContact O-N 3.32Å; I47-L49 VanDerWaalsContact C-N 3.33Å; I47-L49 PolarHBondContact O-N 3.42Å; I47-F50 PolarHBondContact O-N 2.96Å; I47-E51 WeakPolarHBondContact O-CB 3.41Å; I47-E51 PolarHBondContact O-N 3.48Å; I47-F74 HydrophobicContact CD1-CB 4.02Å; I47-F74 HydrophobicContact CD1-CD1 4.16Å; I47-L77 HydrophobicContact CD1-CB 3.78Å; I47-L77 HydrophobicContact CD1-CD1 4.26Å; I47-L77 HydrophobicContact CG1-CB 4.08Å; I47-L77 HydrophobicContact CG1-CD1 4.24Å; I47-R81 HydrophobicContact CG2-CG 4.39Å
48D98.5Very high98.3Very high31 Ų3147.4 Ų47.417%0.16624%0.244CC..Hα-helixtrans-57.2-45.1173.8-86.212.4000112.1K9 T44 A45 E51 E52 R81K9-D48 HydrophobicContact CD-CB 4.03Å; K9-D48 VanDerWaalsContact CE-OD2 3.25Å; K9-D48 WeakPolarHBondContact CE-OD2 3.32Å; K9-D48 IonicContact NZ-OD2 3.71Å; K9-D48 PolarHBondContact NZ-OD2 2.77Å; T44-D48 VanDerWaalsContact O-CB 3.3Å; T44-D48 WeakPolarHBondContact O-CB 3.23Å; T44-D48 VanDerWaalsContact O-CG 3.32Å; T44-D48 PolarHBondContact O-N 3.23Å; A45-D48 PolarHBondContact O-N 3.34Å; D48-E51 PolarHBondContact O-N 2.94Å; D48-E52 VanDerWaalsContact O-CB 3.31Å; D48-E52 WeakPolarHBondContact O-CB 3.48Å; D48-E52 PolarHBondContact O-N 2.97Å; D48-R81 IonicContact OD1-CZ 3.12Å; D48-R81 IonicContact OD1-NH1 2.74Å; D48-R81 PolarHBondContact OD1-NH1 2.9Å; D48-R81 IonicContact OD1-NH2 2.72Å; D48-R81 PolarHBondContact OD1-NH2 3.18Å
49L98.7Very high98.2Very high4 Ų443 Ų432%0.02123%0.234CC..Hα-helixtrans-67.5-40.9-178.2-73.6165.8000111.9R6 K9 L10 V13 A45 V46 I47 H53 L179R6-L49 HydrophobicContact CG-CD2 3.6Å; K9-L49 HydrophobicContact CB-CD1 3.88Å; K9-L49 HydrophobicContact CB-CD2 4.06Å; K9-L49 HydrophobicContact CB-CG 3.96Å; K9-L49 HydrophobicContact CD-CD2 4.34Å; K9-L49 HydrophobicContact CD-CG 4.28Å; L10-L49 HydrophobicContact CD2-CD1 3.69Å; L10-L49 HydrophobicContact CD2-CD2 4.48Å; L10-L49 HydrophobicContact CG-CD1 3.97Å; L10-L49 HydrophobicContact CG-CD2 4.23Å; V13-L49 HydrophobicContact CG2-CD1 4.21Å; A45-L49 WeakPolarHBondContact O-CB 3.48Å; A45-L49 WeakPolarHBondContact O-CD1 3.5Å; A45-L49 WeakPolarHBondContact O-CG 3.35Å; A45-L49 PolarHBondContact O-N 3.01Å; V46-L49 PolarHBondContact O-N 3.04Å; I47-L49 VanDerWaalsContact C-N 3.33Å; I47-L49 PolarHBondContact O-N 3.42Å; L49-H53 WeakPolarHBondContact O-CB 3.2Å; L49-H53 PolarHBondContact O-N 2.76Å; L49-H53 VanDerWaalsContact O-N 3.1Å; L49-L179 HydrophobicContact CB-CD1 4.37Å; L49-L179 HydrophobicContact CB-CD2 3.67Å; L49-L179 HydrophobicContact CD1-CD1 4.28Å; L49-L179 HydrophobicContact CD1-CD2 4.2Å
50F98.8Very high98.2Very high0 Ų044.8 Ų44.80%024%0.241CC..Hα-helixtrans-66.9-45.2173.6-73.1-46.1000111.7V46 I47 E52 H53 V54 L78 I129 M157 I159 F177 L179V46-F50 HydrophobicContact CG1-CD2 3.74Å; V46-F50 HydrophobicContact CG1-CE2 3.49Å; V46-F50 VanDerWaalsContact CG1-CE2 3.49Å; V46-F50 WeakPolarHBondContact O-CD2 3.31Å; V46-F50 PolarHBondContact O-N 3.26Å; V46-F50 VanDerWaalsContact O-N 3.1Å; I47-F50 PolarHBondContact O-N 2.96Å; F50-E52 PolarHBondContact O-N 3.22Å; F50-H53 PolarHBondContact O-N 2.73Å; F50-V54 WeakPolarHBondContact O-CB 3.48Å; F50-V54 VanDerWaalsContact O-CG2 3.26Å; F50-V54 WeakPolarHBondContact O-CG2 3.48Å; F50-V54 PolarHBondContact O-N 2.93Å; F50-L78 HydrophobicContact CB-CD1 3.89Å; F50-L78 HydrophobicContact CB-CD2 3.84Å; F50-L78 HydrophobicContact CB-CG 4.48Å; F50-L78 HydrophobicContact CG-CD2 4.47Å; F50-I129 HydrophobicContact CD2-CD1 4.03Å; F50-I129 HydrophobicContact CE2-CD1 3.96Å; F50-M157 HydrophobicContact CD1-CB 4.07Å; F50-M157 HydrophobicContact CD1-CG 4.41Å; F50-M157 HydrophobicContact CD1-SD 3.96Å; F50-M157 HydrophobicContact CE1-CB 3.82Å; F50-I159 HydrophobicContact CE2-CG1 3.9Å; F50-I159 HydrophobicContact CZ-CG1 3.89Å; F50-F177 AromaticContact CD1-CD1 3.97Å; F50-F177 HydrophobicContact CD1-CD1 3.97Å; F50-F177 AromaticContact CD1-CE1 3.9Å; F50-F177 HydrophobicContact CD1-CE1 3.9Å; F50-F177 HydrophobicContact CE1-CD1 4.08Å; F50-F177 HydrophobicContact CE1-CE1 4.19Å; F50-L179 HydrophobicContact CD1-CD2 4.12Å; F50-L179 HydrophobicContact CD1-CG 4.37Å; F50-L179 HydrophobicContact CD2-CD1 4.44Å; F50-L179 HydrophobicContact CE1-CD1 4.07Å; F50-L179 HydrophobicContact CE1-CD2 3.92Å; F50-L179 HydrophobicContact CE1-CG 3.73Å; F50-L179 HydrophobicContact CE2-CD1 3.98Å; F50-L179 HydrophobicContact CZ-CD1 3.76Å; F50-L179 HydrophobicContact CZ-CD2 4.45Å; F50-L179 HydrophobicContact CZ-CG 3.82Å
51E98.6Very high98.2Very high29 Ų2941 Ų4114%0.13622%0.216CC..Hα-helixtrans-58.7-47.7177.8-178.1-177.1-169.700111.3I47 D48 H53 V54 R55 L78 R81 L82I47-E51 WeakPolarHBondContact O-CB 3.41Å; I47-E51 PolarHBondContact O-N 3.48Å; D48-E51 PolarHBondContact O-N 2.94Å; E51-H53 VanDerWaalsContact C-N 3.34Å; E51-H53 PolarHBondContact O-N 3.04Å; E51-V54 PolarHBondContact O-N 2.88Å; E51-R55 HydrophobicContact CG-CG 4.29Å; E51-R55 WeakPolarHBondContact O-CB 3.21Å; E51-R55 WeakPolarHBondContact O-CG 3Å; E51-R55 PolarHBondContact O-N 2.52Å; E51-R55 IonicContact OE1-CZ 2.74Å; E51-R55 VanDerWaalsContact OE1-CZ 3.25Å; E51-R55 IonicContact OE1-NE 2.79Å; E51-R55 PolarHBondContact OE1-NE 3.35Å; E51-R55 IonicContact OE1-NH2 3.25Å; E51-R55 PolarHBondContact OE1-NH2 2.92Å; E51-L78 HydrophobicContact CB-CD1 4.04Å; E51-R81 IonicContact OE2-CZ 3.07Å; E51-R81 IonicContact OE2-NE 2.73Å; E51-R81 PolarHBondContact OE2-NE 2.68Å; E51-R81 IonicContact OE2-NH2 2.68Å; E51-R81 PolarHBondContact OE2-NH2 3.11Å; E51-L82 HydrophobicContact CG-CD2 4.03Å
52E98.1Very high98.2Very high66 Ų6644 Ų4431%0.30822%0.221SC..Hα-helixtrans-57.3-48.3177.7-178.9-179.8178.200111.1D48 F50 Q56D48-E52 VanDerWaalsContact O-CB 3.31Å; D48-E52 WeakPolarHBondContact O-CB 3.48Å; D48-E52 PolarHBondContact O-N 2.97Å; F50-E52 PolarHBondContact O-N 3.22Å; E52-Q56 VanDerWaalsContact CG-NE2 3.29Å; E52-Q56 WeakPolarHBondContact O-CB 3.42Å; E52-Q56 VanDerWaalsContact O-CG 3.22Å; E52-Q56 WeakPolarHBondContact O-CG 3.25Å; E52-Q56 PolarHBondContact O-N 3.31Å; E52-Q56 VanDerWaalsContact O-N 3.14Å; E52-Q56 PolarHBondContact OE1-NE2 3.36Å
53H98.3Very high98.3Very high31 Ų3144.5 Ų44.514%0.14422%0.224CC..Hα-helixtrans-58.1-53.9177.3177.568.8000111.3L49 F50 E51 R55 Q56 T57 H58 F177L49-H53 WeakPolarHBondContact O-CB 3.2Å; L49-H53 PolarHBondContact O-N 2.76Å; L49-H53 VanDerWaalsContact O-N 3.1Å; F50-H53 PolarHBondContact O-N 2.73Å; E51-H53 VanDerWaalsContact C-N 3.34Å; E51-H53 PolarHBondContact O-N 3.04Å; H53-R55 VanDerWaalsContact C-N 3.34Å; H53-R55 PolarHBondContact O-N 3.45Å; H53-Q56 PolarHBondContact O-N 3.05Å; H53-T57 PolarHBondContact CE1-OG1 2.81Å; H53-T57 PolarHBondContact NE2-OG1 2.7Å; H53-T57 PolarHBondContact O-N 3.46Å; H53-T57 PolarHBondContact O-OG1 3.46Å; H53-H58 AromaticContact NE2-NE2 3.92Å; H53-F177 HydrophobicContact CB-CD1 4.04Å; H53-F177 HydrophobicContact CB-CE1 3.59Å; H53-F177 HydrophobicContact CB-CE2 4.32Å; H53-F177 HydrophobicContact CB-CZ 3.76Å; H53-F177 AromaticContact CD2-CD1 3.46Å; H53-F177 VanDerWaalsContact CD2-CD1 3.46Å; H53-F177 WeakPolarHBondContact CD2-CD1 3.16Å; H53-F177 AromaticContact CD2-CE1 3.97Å; H53-F177 AromaticContact CD2-CG 3.5Å; H53-F177 VanDerWaalsContact CD2-CG 3.5Å; H53-F177 WeakPolarHBondContact CD2-CG 3.41Å; H53-F177 AromaticContact CE1-CD2 3.48Å; H53-F177 VanDerWaalsContact CE1-CD2 3.48Å; H53-F177 WeakPolarHBondContact CE1-CD2 3.49Å; H53-F177 AromaticContact CE1-CG 3.62Å; H53-F177 AromaticContact CG-CD1 3.59Å; H53-F177 AromaticContact CG-CD2 3.85Å; H53-F177 AromaticContact CG-CE1 3.62Å; H53-F177 AromaticContact CG-CE2 3.88Å; H53-F177 AromaticContact CG-CG 3.7Å; H53-F177 AromaticContact CG-CZ 3.77Å; H53-F177 AromaticContact ND1-CD2 3.5Å; H53-F177 WeakPolarHBondContact ND1-CD2 3.2Å; H53-F177 AromaticContact ND1-CE2 3.58Å; H53-F177 AromaticContact ND1-CG 3.79Å; H53-F177 AromaticContact ND1-CZ 3.93Å; H53-F177 WeakPolarHBondContact NE2-CB 3.3Å; H53-F177 AromaticContact NE2-CD1 3.95Å; H53-F177 AromaticContact NE2-CD2 3.83Å; H53-F177 AromaticContact NE2-CG 3.46Å; H53-F177 WeakPolarHBondContact NE2-CG 3Å
54V98.5Very high98.3Very high1 Ų142.6 Ų42.61%0.00621%0.214CC..Hα-helixtrans-59.7-44.1-176.9172.90000111.6F50 E51 Q56 T57 H58 V61 L82 L127 M157F50-V54 WeakPolarHBondContact O-CB 3.48Å; F50-V54 VanDerWaalsContact O-CG2 3.26Å; F50-V54 WeakPolarHBondContact O-CG2 3.48Å; F50-V54 PolarHBondContact O-N 2.93Å; E51-V54 PolarHBondContact O-N 2.88Å; V54-Q56 PolarHBondContact O-N 3.14Å; V54-T57 PolarHBondContact O-N 2.91Å; V54-H58 HydrophobicContact CG1-CB 4.31Å; V54-H58 CarbonylContact O-C 3.46Å; V54-H58 VanDerWaalsContact O-CA 3.3Å; V54-H58 WeakPolarHBondContact O-CA 3.49Å; V54-H58 PolarHBondContact O-N 3.44Å; V54-V61 HydrophobicContact CG1-CB 4.45Å; V54-V61 HydrophobicContact CG1-CG1 3.58Å; V54-L82 HydrophobicContact CB-CD1 4.27Å; V54-L82 HydrophobicContact CB-CD2 4.25Å; V54-L82 HydrophobicContact CG1-CD1 3.71Å; V54-L82 HydrophobicContact CG1-CD2 3.89Å; V54-L82 HydrophobicContact CG1-CG 4.48Å; V54-L82 HydrophobicContact CG2-CD1 4.5Å; V54-L127 HydrophobicContact CB-CD1 4.33Å; V54-L127 HydrophobicContact CG1-CD1 3.83Å; V54-L127 HydrophobicContact CG2-CD1 3.6Å; V54-M157 HydrophobicContact CG2-CE 3.8Å; V54-M157 HydrophobicContact CG2-SD 3.43Å; V54-M157 WeakPolarHBondContact CG2-SD 3.44Å
55R97.9Very high98.3Very high129 Ų12939.6 Ų39.649%0.48720%0.195SC..Hα-helixtrans-64.6-29.4178.2-70.9-171.8-174.9-69.7-0.5112.8E51 H53 R81 L82E51-R55 HydrophobicContact CG-CG 4.29Å; E51-R55 WeakPolarHBondContact O-CB 3.21Å; E51-R55 WeakPolarHBondContact O-CG 3Å; E51-R55 PolarHBondContact O-N 2.52Å; E51-R55 IonicContact OE1-CZ 2.74Å; E51-R55 VanDerWaalsContact OE1-CZ 3.25Å; E51-R55 IonicContact OE1-NE 2.79Å; E51-R55 PolarHBondContact OE1-NE 3.35Å; E51-R55 IonicContact OE1-NH2 3.25Å; E51-R55 PolarHBondContact OE1-NH2 2.92Å; H53-R55 VanDerWaalsContact C-N 3.34Å; H53-R55 PolarHBondContact O-N 3.45Å; R55-R81 PolarHBondContact NH2-O 3.46Å; R55-L82 HydrophobicContact CG-CD2 4.01Å
56Q97.8Very high98.3Very high132 Ų13239.4 Ų39.462%0.61719%0.194SC*.Hα-helixtrans-82.6-37.7179.2-71.81713.500113E52 H53 V54E52-Q56 VanDerWaalsContact CG-NE2 3.29Å; E52-Q56 WeakPolarHBondContact O-CB 3.42Å; E52-Q56 VanDerWaalsContact O-CG 3.22Å; E52-Q56 WeakPolarHBondContact O-CG 3.25Å; E52-Q56 PolarHBondContact O-N 3.31Å; E52-Q56 VanDerWaalsContact O-N 3.14Å; E52-Q56 PolarHBondContact OE1-NE2 3.36Å; H53-Q56 PolarHBondContact O-N 3.05Å; V54-Q56 PolarHBondContact O-N 3.14Å
57T98.1Very high98.2Very high65 Ų6539.5 Ų39.540%0.39919%0.194SC..Hα-helixtrans-110.8-24.6-169.159.90000114.3H53 V54 P59H53-T57 PolarHBondContact CE1-OG1 2.81Å; H53-T57 PolarHBondContact NE2-OG1 2.7Å; H53-T57 PolarHBondContact O-N 3.46Å; H53-T57 PolarHBondContact O-OG1 3.46Å; V54-T57 PolarHBondContact O-N 2.91Å; T57-P59 VanDerWaalsContact C-CD 3.49Å
58H97.6Very high97.9Very high26 Ų2641.3 Ų41.312%0.1220%0.204CC..  trans-135.652.9-174.2-55.9-61.8000111.9H53 V54 Q60 V61 L127 M154H53-H58 AromaticContact NE2-NE2 3.92Å; V54-H58 HydrophobicContact CG1-CB 4.31Å; V54-H58 CarbonylContact O-C 3.46Å; V54-H58 VanDerWaalsContact O-CA 3.3Å; V54-H58 WeakPolarHBondContact O-CA 3.49Å; V54-H58 PolarHBondContact O-N 3.44Å; H58-Q60 PolarHBondContact O-N 2.97Å; H58-V61 PolarHBondContact O-N 3.16Å; H58-V61 VanDerWaalsContact O-N 3.09Å; H58-L127 HydrophobicContact CB-CD1 3.9Å; H58-M154 HydrophobicContact CB-CE 3.68Å; H58-M154 HydrophobicContact CB-SD 4.26Å
59P96.4Very high97.7Very high94 Ų9442.5 Ų42.561%0.6122%0.218SC*.THydrogen-bonded Turntrans-63.8-17.2-175.327.9-36000113.7T57T57-P59 VanDerWaalsContact C-CD 3.49Å
60Q97.6Very high97.6Very high92 Ų9246.7 Ų46.743%0.4323%0.234SC..THydrogen-bonded Turntrans-93.414.7176.468.9-90.80.400115H58 K125 M154H58-Q60 PolarHBondContact O-N 2.97Å; Q60-K125 HydrophobicContact CB-CD 4.11Å; Q60-K125 HydrophobicContact CG-CD 3.58Å; Q60-K125 WeakPolarHBondContact O-CD 3.31Å; Q60-M154 HydrophobicContact CG-CE 3.61Å; Q60-M154 HydrophobicContact CG-SD 4.35Å
61V98.4Very high97.5Very high15 Ų1546.7 Ų46.79%0.09123%0.234CC..  trans-64.2139175.567.20000110.9V54 H58 I64 L82 L127 M154V54-V61 HydrophobicContact CG1-CB 4.45Å; V54-V61 HydrophobicContact CG1-CG1 3.58Å; H58-V61 PolarHBondContact O-N 3.16Å; H58-V61 VanDerWaalsContact O-N 3.09Å; V61-I64 HydrophobicContact CG2-CD1 4.14Å; V61-L82 HydrophobicContact CG1-CD1 4.38Å; V61-L127 HydrophobicContact CB-CD1 4.2Å; V61-L127 HydrophobicContact CG2-CB 4.11Å; V61-L127 HydrophobicContact CG2-CD1 3.92Å; V61-L127 HydrophobicContact CG2-CG 3.91Å; V61-M154 HydrophobicContact CB-SD 4.02Å; V61-M154 HydrophobicContact CG2-SD 4.42Å
62E98.6Very high97.5Very high96 Ų9647.3 Ų47.345%0.44924%0.236SC..  trans-117.8-20.2-177.7-66.3172.6116.400112.3V84 E124 K125E62-V84 WeakPolarHBondContact O-CB 3.33Å; E62-E124 HydrophobicContact CB-CG 4.04Å; E62-K125 HydrophobicContact CG-CB 4.42Å; E62-K125 PolarHBondContact N-O 2.98Å; E62-K125 PolarHBondContact OE2-N 3.22Å
63L98.6Very high97.5Very high11 Ų1147.6 Ų47.66%0.05824%0.239CC..EExtended strand (participates in β ladder)trans-150.7138.5-176.4-158.672.9000112.2V65 G85 V87 V120 E124 K125 V126 L127L63-V65 HydrophobicContact CD2-CG2 4.29Å; L63-G85 VanDerWaalsContact CD1-C 3.42Å; L63-V87 HydrophobicContact CD1-CG2 4.12Å; L63-V87 HydrophobicContact CD2-CB 4.07Å; L63-V87 HydrophobicContact CD2-CG2 3.53Å; L63-V87 HydrophobicContact CG-CG2 4.1Å; L63-V120 HydrophobicContact CD2-CG1 4.26Å; L63-V120 HydrophobicContact CD2-CG2 3.89Å; L63-E124 HydrophobicContact CB-CG 4.24Å; L63-K125 PolarHBondContact N-O 2.92Å; L63-V126 HydrophobicContact CB-CG1 3.98Å; L63-V126 HydrophobicContact CD2-CG1 4.04Å; L63-V126 WeakPolarHBondContact O-CA 3.3Å; L63-L127 PolarHBondContact O-N 3.39Å
64I98.8Very high97.5Very high0 Ų046.1 Ų46.10%023%0.232CC..EExtended strand (participates in β ladder)trans-100.3129.4168.4-57.5-57.3000109.4V61 L78 A79 L82 V84 G85 F86 V87 L127 I129V61-I64 HydrophobicContact CG2-CD1 4.14Å; I64-L78 HydrophobicContact CD1-CD2 4.32Å; I64-A79 HydrophobicContact CB-CB 4.02Å; I64-A79 HydrophobicContact CG1-CB 3.91Å; I64-L82 HydrophobicContact CD1-CD1 3.95Å; I64-L82 HydrophobicContact CG1-CD1 4.3Å; I64-V84 HydrophobicContact CG1-CG2 3.92Å; I64-G85 PolarHBondContact N-O 2.86Å; I64-F86 HydrophobicContact CB-CD2 4.09Å; I64-F86 HydrophobicContact CG2-CD2 3.98Å; I64-F86 HydrophobicContact CG2-CE2 4.25Å; I64-F86 CarbonylContact O-C 3.5Å; I64-F86 VanDerWaalsContact O-CA 3.26Å; I64-F86 WeakPolarHBondContact O-CA 3.34Å; I64-F86 WeakPolarHBondContact O-CD2 3.44Å; I64-V87 PolarHBondContact O-N 3.12Å; I64-L127 WeakPolarHBondContact CA-O 3.34Å; I64-L127 HydrophobicContact CD1-CB 3.96Å; I64-I129 HydrophobicContact CG2-CB 4.45Å; I64-I129 HydrophobicContact CG2-CG2 3.57Å
65V98.8Very high97.5Very high0 Ų046.1 Ų46.10%023%0.232CC..EExtended strand (participates in β ladder)trans-111110.9179.8-179.90000108.9L63 V87 V89 V126 L127 L128 I129 M146L63-V65 HydrophobicContact CD2-CG2 4.29Å; V65-V87 WeakPolarHBondContact CA-O 3.48Å; V65-V87 HydrophobicContact CG2-CB 4.35Å; V65-V89 HydrophobicContact CG1-CB 4.44Å; V65-V89 HydrophobicContact CG1-CG2 3.46Å; V65-V89 VanDerWaalsContact CG1-CG2 3.46Å; V65-V126 HydrophobicContact CG2-CB 3.91Å; V65-V126 HydrophobicContact CG2-CG1 4.24Å; V65-V126 HydrophobicContact CG2-CG2 4.42Å; V65-L127 PolarHBondContact N-O 2.87Å; V65-L128 HydrophobicContact CB-CG 4.23Å; V65-L128 HydrophobicContact CG1-CG 4.45Å; V65-L128 CarbonylContact O-C 3.54Å; V65-L128 VanDerWaalsContact O-CA 3.31Å; V65-L128 WeakPolarHBondContact O-CA 3.5Å; V65-I129 PolarHBondContact O-N 3.47Å; V65-M146 HydrophobicContact CB-SD 4.46Å; V65-M146 HydrophobicContact CG1-CE 4.38Å; V65-M146 HydrophobicContact CG1-SD 3.99Å; V65-M146 HydrophobicContact CG2-SD 3.77Å
66G98.4Very high97.5Very high0 Ų042.3 Ų42.30%022%0.224CC..EExtended strand (participates in β ladder)trans-91.5149.8177.600000112F72 V87 V89G66-F72 VanDerWaalsContact O-CE1 3.32Å; G66-F72 WeakPolarHBondContact O-CE1 3.28Å; G66-V87 PolarHBondContact N-O 3.02Å; G66-V89 PolarHBondContact O-N 3.12Å
67L97.7Very high97.6Very high1 Ų139.5 Ų39.51%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-102.8142.7173.8-77.670.8000112.1A69 G71 L128 I129 D130 T138 L139 A142L67-A69 CarbonylContact O-C 3.6Å; L67-G71 WeakPolarHBondContact O-CA 3.44Å; L67-G71 PolarHBondContact O-N 2.84Å; L67-L128 HydrophobicContact CD1-CB 4.45Å; L67-L128 HydrophobicContact CD1-CD2 4.32Å; L67-I129 PolarHBondContact N-O 3.31Å; L67-D130 HydrophobicContact CB-CB 4.32Å; L67-T138 HydrophobicContact CD2-CG2 3.88Å; L67-L139 HydrophobicContact CD1-CD1 3.82Å; L67-L139 HydrophobicContact CD2-CB 4.36Å; L67-L139 HydrophobicContact CD2-CD1 3.72Å; L67-L139 HydrophobicContact CG-CD1 4.46Å; L67-A142 HydrophobicContact CD1-CB 3.99Å; L67-A142 HydrophobicContact CD2-CB 3.89Å; L67-A142 HydrophobicContact CG-CB 4.04Å
68D92.3Very high97.6Very high44 Ų4436.4 Ų36.424%0.23519%0.194CC..THydrogen-bonded Turntrans-68.7131.1-178.4-163.1-19000112.4F72 V89 R90D68-F72 HydrophobicContact CB-CE1 4.39Å; D68-F72 HydrophobicContact CB-CE2 3.69Å; D68-F72 HydrophobicContact CB-CZ 3.5Å; D68-F72 VanDerWaalsContact CB-CZ 3.5Å; D68-V89 PolarHBondContact N-O 2.96Å; D68-R90 IonicContact OD2-CZ 3.39Å; D68-R90 IonicContact OD2-NE 2.92Å; D68-R90 PolarHBondContact OD2-NE 3.48Å; D68-R90 IonicContact OD2-NH2 2.82Å; D68-R90 PolarHBondContact OD2-NH2 3.38Å
69A93.6Very high97.7Very high56 Ų5635.3 Ų35.346%0.46319%0.19SC..THydrogen-bonded Turncis-100.9-22-6.400000112.5L67 F72L67-A69 CarbonylContact O-C 3.6Å; A69-F72 VanDerWaalsContact O-CB 3.23Å; A69-F72 WeakPolarHBondContact O-CB 3.3Å; A69-F72 WeakPolarHBondContact O-CG 3.31Å; A69-F72 PolarHBondContact O-N 3.34Å; A69-F72 VanDerWaalsContact O-N 3.13Å
70R96.8Very high97.8Very high92 Ų9237.7 Ų37.735%0.34719%0.192SC..G310 helixtrans-83.6-25.5-160.7-65.8174-63.3168.6-2.2112.3F72 L73 D131R70-F72 PolarHBondContact O-N 3.36Å; R70-L73 HydrophobicContact CB-CD1 4.09Å; R70-L73 HydrophobicContact CG-CD1 4.11Å; R70-L73 WeakPolarHBondContact O-CB 3.26Å; R70-L73 PolarHBondContact O-N 3.48Å; R70-L73 VanDerWaalsContact O-N 3.08Å; R70-D131 HydrophobicContact CB-CB 3.77Å; R70-D131 VanDerWaalsContact CB-CG 3.44Å; R70-D131 WeakPolarHBondContact CD-OD2 3.42Å; R70-D131 VanDerWaalsContact CZ-CG 3.44Å; R70-D131 IonicContact CZ-OD1 2.71Å; R70-D131 IonicContact CZ-OD2 3.17Å; R70-D131 IonicContact NE-OD1 2.75Å; R70-D131 PolarHBondContact NE-OD1 2.74Å; R70-D131 VanDerWaalsContact NE-OD1 3.16Å; R70-D131 IonicContact NE-OD2 3.16Å; R70-D131 PolarHBondContact NE-OD2 3.28Å; R70-D131 IonicContact NH1-OD1 2.66Å; R70-D131 IonicContact NH1-OD2 3.74Å; R70-D131 PolarHBondContact NH1-OD2 3.16Å; R70-D131 IonicContact NH2-OD1 2.96Å; R70-D131 PolarHBondContact NH2-OD1 3.06Å; R70-D131 IonicContact NH2-OD2 3.28Å
71G97.2Very high97.8Very high0 Ų037.4 Ų37.40%019%0.188CC..G310 helixtrans-57.3-27.7163.500000113.3L67 L73 F74 G75 D130L67-G71 WeakPolarHBondContact O-CA 3.44Å; L67-G71 PolarHBondContact O-N 2.84Å; G71-L73 PolarHBondContact O-N 3.45Å; G71-F74 PolarHBondContact O-N 3.42Å; G71-G75 PolarHBondContact O-N 2.87Å; G71-D130 PolarHBondContact N-OD1 2.86Å; G71-D130 VanDerWaalsContact N-OD1 3.12Å
72F98Very high97.8Very high43 Ų4337.8 Ų37.819%0.18919%0.189CC..G310 helixtrans-73.9-13.8177.9-50.7-18.9000113.6G66 D68 A69 R70 F74 P76 F86 L88 V89 R90G66-F72 VanDerWaalsContact O-CE1 3.32Å; G66-F72 WeakPolarHBondContact O-CE1 3.28Å; D68-F72 HydrophobicContact CB-CE1 4.39Å; D68-F72 HydrophobicContact CB-CE2 3.69Å; D68-F72 HydrophobicContact CB-CZ 3.5Å; D68-F72 VanDerWaalsContact CB-CZ 3.5Å; A69-F72 VanDerWaalsContact O-CB 3.23Å; A69-F72 WeakPolarHBondContact O-CB 3.3Å; A69-F72 WeakPolarHBondContact O-CG 3.31Å; A69-F72 PolarHBondContact O-N 3.34Å; A69-F72 VanDerWaalsContact O-N 3.13Å; R70-F72 PolarHBondContact O-N 3.36Å; F72-F74 VanDerWaalsContact C-N 3.34Å; F72-P76 WeakPolarHBondContact O-CD 3.43Å; F72-P76 WeakPolarHBondContact O-CG 3.48Å; F72-F86 AromaticContact CD1-CZ 3.94Å; F72-F86 HydrophobicContact CD1-CZ 3.94Å; F72-L88 HydrophobicContact CD1-CD2 3.45Å; F72-L88 VanDerWaalsContact CD1-CD2 3.45Å; F72-L88 HydrophobicContact CD2-CD2 3.79Å; F72-L88 HydrophobicContact CE1-CB 4.1Å; F72-L88 HydrophobicContact CE1-CD2 3.32Å; F72-L88 HydrophobicContact CE1-CG 4.32Å; F72-L88 HydrophobicContact CE2-CD2 3.68Å; F72-L88 HydrophobicContact CG-CD2 3.69Å; F72-L88 HydrophobicContact CZ-CB 4.01Å; F72-L88 HydrophobicContact CZ-CD2 3.44Å; F72-L88 VanDerWaalsContact CZ-CD2 3.44Å; F72-L88 HydrophobicContact CZ-CG 4.33Å; F72-V89 WeakPolarHBondContact CZ-O 3.35Å; F72-R90 HydrophobicContact CZ-CG 4.07Å
73L98.1Very high97.8Very high72 Ų7236.5 Ų36.538%0.37720%0.202SC..G310 helixtrans-77.6-25.3178.9-57.7169.4000111.8L37 R70 G71 L77L37-L73 HydrophobicContact CD1-CD1 3.74Å; L37-L73 HydrophobicContact CD2-CB 4.09Å; L37-L73 HydrophobicContact CD2-CD1 4.49Å; R70-L73 HydrophobicContact CB-CD1 4.09Å; R70-L73 HydrophobicContact CG-CD1 4.11Å; R70-L73 WeakPolarHBondContact O-CB 3.26Å; R70-L73 PolarHBondContact O-N 3.48Å; R70-L73 VanDerWaalsContact O-N 3.08Å; G71-L73 PolarHBondContact O-N 3.45Å; L73-L77 WeakPolarHBondContact O-CD1 3.43Å
74F98.4Very high97.8Very high0 Ų037.8 Ų37.80%021%0.21CC..THydrogen-bonded Turntrans-119.2-33.7-174.9-53.5-77.9000112.8I33 I36 L37 L43 V46 I47 G71 F72 L77 L78 I129 D131 I159I33-F74 HydrophobicContact CD1-CE2 3.6Å; I33-F74 HydrophobicContact CD1-CZ 3.82Å; I36-F74 HydrophobicContact CG2-CE1 4.34Å; L37-F74 HydrophobicContact CD2-CE1 3.71Å; L37-F74 HydrophobicContact CD2-CE2 4.39Å; L37-F74 HydrophobicContact CD2-CZ 3.55Å; L37-F74 HydrophobicContact CG-CZ 4.4Å; L43-F74 HydrophobicContact CD1-CD1 3.92Å; L43-F74 HydrophobicContact CD1-CE1 3.76Å; V46-F74 HydrophobicContact CG1-CD1 3.77Å; V46-F74 HydrophobicContact CG1-CE1 4.07Å; V46-F74 HydrophobicContact CG1-CG 4.47Å; I47-F74 HydrophobicContact CD1-CB 4.02Å; I47-F74 HydrophobicContact CD1-CD1 4.16Å; G71-F74 PolarHBondContact O-N 3.42Å; F72-F74 VanDerWaalsContact C-N 3.34Å; F74-L77 PolarHBondContact O-N 3.17Å; F74-L78 PolarHBondContact O-N 2.99Å; F74-I129 HydrophobicContact CB-CD1 3.99Å; F74-D131 HydrophobicContact CE2-CB 4.42Å; F74-I159 HydrophobicContact CD1-CD1 4.02Å; F74-I159 HydrophobicContact CD2-CD1 3.72Å; F74-I159 HydrophobicContact CE1-CD1 3.63Å; F74-I159 HydrophobicContact CE2-CD1 3.31Å; F74-I159 HydrophobicContact CG-CD1 4.06Å; F74-I159 HydrophobicContact CZ-CD1 3.25Å
75G98.6Very high97.8Very high0 Ų039.4 Ų39.40%023%0.226CC..Hα-helixtrans-58.1-51.1-176.100000114.6G71 L77 L78 A79G71-G75 PolarHBondContact O-N 2.87Å; G75-L77 VanDerWaalsContact C-N 3.3Å; G75-L77 PolarHBondContact O-N 2.9Å; G75-L78 PolarHBondContact O-N 3.31Å; G75-A79 WeakPolarHBondContact O-CB 3.48Å; G75-A79 PolarHBondContact O-N 3.39Å
76P98.6Very high97.8Very high50 Ų5042.1 Ų42.133%0.32524%0.238SC..Hα-helixtrans-60.8-37.5176.9-2433.6000113.2F72 Q80 F86F72-P76 WeakPolarHBondContact O-CD 3.43Å; F72-P76 WeakPolarHBondContact O-CG 3.48Å; P76-Q80 VanDerWaalsContact O-CB 3.31Å; P76-Q80 WeakPolarHBondContact O-CB 3.32Å; P76-Q80 PolarHBondContact O-N 3.5Å; P76-F86 HydrophobicContact CB-CD1 4.45Å; P76-F86 HydrophobicContact CG-CD1 3.84Å; P76-F86 HydrophobicContact CG-CD2 4.33Å; P76-F86 HydrophobicContact CG-CE1 3.6Å; P76-F86 HydrophobicContact CG-CE2 4.17Å; P76-F86 HydrophobicContact CG-CG 4.19Å; P76-F86 HydrophobicContact CG-CZ 3.79Å
77L98.6Very high97.7Very high72 Ų7242.9 Ų42.938%0.37724%0.243SC..Hα-helixtrans-66.1-42.7178.4-59.8179.5000111.2L43 I47 L73 F74 G75 R81L43-L77 HydrophobicContact CD1-CD1 3.97Å; L43-L77 HydrophobicContact CD2-CD1 4.2Å; L43-L77 HydrophobicContact CG-CD1 4.33Å; I47-L77 HydrophobicContact CD1-CB 3.78Å; I47-L77 HydrophobicContact CD1-CD1 4.26Å; I47-L77 HydrophobicContact CG1-CB 4.08Å; I47-L77 HydrophobicContact CG1-CD1 4.24Å; L73-L77 WeakPolarHBondContact O-CD1 3.43Å; F74-L77 PolarHBondContact O-N 3.17Å; G75-L77 VanDerWaalsContact C-N 3.3Å; G75-L77 PolarHBondContact O-N 2.9Å; L77-R81 WeakPolarHBondContact O-CG 3.35Å; L77-R81 PolarHBondContact O-N 2.91Å
78L98.8Very high97.7Very high0 Ų046.1 Ų46.10%026%0.259CS..Hα-helixtrans-66.6-46.9176.2179.860.8000111.5F50 E51 I64 F74 G75 Q80 R81 L82 I129 M157F50-L78 HydrophobicContact CB-CD1 3.89Å; F50-L78 HydrophobicContact CB-CD2 3.84Å; F50-L78 HydrophobicContact CB-CG 4.48Å; F50-L78 HydrophobicContact CG-CD2 4.47Å; E51-L78 HydrophobicContact CB-CD1 4.04Å; I64-L78 HydrophobicContact CD1-CD2 4.32Å; F74-L78 PolarHBondContact O-N 2.99Å; G75-L78 PolarHBondContact O-N 3.31Å; L78-Q80 VanDerWaalsContact C-N 3.3Å; L78-Q80 PolarHBondContact O-N 3.23Å; L78-R81 PolarHBondContact O-N 3.18Å; L78-R81 VanDerWaalsContact O-N 3.16Å; L78-L82 HydrophobicContact CD1-CD1 3.82Å; L78-L82 HydrophobicContact CD1-CG 4.06Å; L78-L82 HydrophobicContact CD2-CD1 4.43Å; L78-L82 HydrophobicContact CG-CD1 3.75Å; L78-L82 HydrophobicContact CG-CG 4.39Å; L78-L82 WeakPolarHBondContact O-CB 3.4Å; L78-L82 WeakPolarHBondContact O-CG 3.31Å; L78-L82 PolarHBondContact O-N 3.43Å; L78-I129 HydrophobicContact CD2-CD1 4Å; L78-M157 HydrophobicContact CD2-CE 3.51Å; L78-M157 HydrophobicContact CD2-SD 4.49Å
79A98.8Very high98Very high3 Ų344 Ų443%0.02525%0.249CC..Hα-helixtrans-56.5-45.2177.600000111.5I64 G75 R81 L82 G83 V84 F86I64-A79 HydrophobicContact CB-CB 4.02Å; I64-A79 HydrophobicContact CG1-CB 3.91Å; G75-A79 WeakPolarHBondContact O-CB 3.48Å; G75-A79 PolarHBondContact O-N 3.39Å; A79-R81 PolarHBondContact O-N 3.46Å; A79-L82 PolarHBondContact O-N 3.45Å; A79-G83 PolarHBondContact O-N 3.08Å; A79-V84 HydrophobicContact CB-CG2 4.23Å; A79-V84 PolarHBondContact O-N 3.12Å; A79-F86 HydrophobicContact CB-CB 3.86Å
80Q98.6Very high98.2Very high144 Ų14444.7 Ų44.767%0.67324%0.239SC*.Hα-helixtrans-59.8-43.1177.5-172.9-79.2-53.500112.1P76 L78 G83P76-Q80 VanDerWaalsContact O-CB 3.31Å; P76-Q80 WeakPolarHBondContact O-CB 3.32Å; P76-Q80 PolarHBondContact O-N 3.5Å; L78-Q80 VanDerWaalsContact C-N 3.3Å; L78-Q80 PolarHBondContact O-N 3.23Å; Q80-G83 PolarHBondContact O-N 3.23Å
81R98.3Very high98.1Very high87 Ų8746.4 Ų46.433%0.32825%0.249SC..Hα-helixtrans-70.9-34.1178.6-73.2179.872.7147.4-2.7113.4I47 D48 E51 R55 L77 L78 A79 G83I47-R81 HydrophobicContact CG2-CG 4.39Å; D48-R81 IonicContact OD1-CZ 3.12Å; D48-R81 IonicContact OD1-NH1 2.74Å; D48-R81 PolarHBondContact OD1-NH1 2.9Å; D48-R81 IonicContact OD1-NH2 2.72Å; D48-R81 PolarHBondContact OD1-NH2 3.18Å; E51-R81 IonicContact OE2-CZ 3.07Å; E51-R81 IonicContact OE2-NE 2.73Å; E51-R81 PolarHBondContact OE2-NE 2.68Å; E51-R81 IonicContact OE2-NH2 2.68Å; E51-R81 PolarHBondContact OE2-NH2 3.11Å; R55-R81 PolarHBondContact NH2-O 3.46Å; L77-R81 WeakPolarHBondContact O-CG 3.35Å; L77-R81 PolarHBondContact O-N 2.91Å; L78-R81 PolarHBondContact O-N 3.18Å; L78-R81 VanDerWaalsContact O-N 3.16Å; A79-R81 PolarHBondContact O-N 3.46Å; R81-G83 VanDerWaalsContact C-N 3.28Å
82L98.5Very high98Very high23 Ų2352.1 Ų52.112%0.1227%0.274CS..Hα-helixtrans-75.3-19.8175.7-69.1171.7000112.5E51 V54 R55 V61 I64 L78 A79 V84E51-L82 HydrophobicContact CG-CD2 4.03Å; V54-L82 HydrophobicContact CB-CD1 4.27Å; V54-L82 HydrophobicContact CB-CD2 4.25Å; V54-L82 HydrophobicContact CG1-CD1 3.71Å; V54-L82 HydrophobicContact CG1-CD2 3.89Å; V54-L82 HydrophobicContact CG1-CG 4.48Å; V54-L82 HydrophobicContact CG2-CD1 4.5Å; R55-L82 HydrophobicContact CG-CD2 4.01Å; V61-L82 HydrophobicContact CG1-CD1 4.38Å; I64-L82 HydrophobicContact CD1-CD1 3.95Å; I64-L82 HydrophobicContact CG1-CD1 4.3Å; L78-L82 HydrophobicContact CD1-CD1 3.82Å; L78-L82 HydrophobicContact CD1-CG 4.06Å; L78-L82 HydrophobicContact CD2-CD1 4.43Å; L78-L82 HydrophobicContact CG-CD1 3.75Å; L78-L82 HydrophobicContact CG-CG 4.39Å; L78-L82 WeakPolarHBondContact O-CB 3.4Å; L78-L82 WeakPolarHBondContact O-CG 3.31Å; L78-L82 PolarHBondContact O-N 3.43Å; A79-L82 PolarHBondContact O-N 3.45Å; L82-V84 HydrophobicContact CB-CG1 4.36Å; L82-V84 HydrophobicContact CB-CG2 3.85Å; L82-V84 HydrophobicContact CD1-CG2 4.45Å
83G98.4Very high97.9Very high69 Ų6953.1 Ų53.171%0.71130%0.296SS*.THydrogen-bonded Turntrans77.330-17700000112.9A79 Q80 R81A79-G83 PolarHBondContact O-N 3.08Å; Q80-G83 PolarHBondContact O-N 3.23Å; R81-G83 VanDerWaalsContact C-N 3.28Å
84V98.7Very high97.8Very high38 Ų3855.7 Ų55.723%0.2330%0.304CS..  trans-120.9168.2-176.3-60.90000111.4E62 I64 A79 L82E62-V84 WeakPolarHBondContact O-CB 3.33Å; I64-V84 HydrophobicContact CG1-CG2 3.92Å; A79-V84 HydrophobicContact CB-CG2 4.23Å; A79-V84 PolarHBondContact O-N 3.12Å; L82-V84 HydrophobicContact CB-CG1 4.36Å; L82-V84 HydrophobicContact CB-CG2 3.85Å; L82-V84 HydrophobicContact CD1-CG2 4.45Å
85G98.2Very high97.7Very high33 Ų3356.8 Ų56.834%0.3431%0.31SS..EExtended strand (participates in β ladder)trans-72.9167.917800000113.3L63 I64L63-G85 VanDerWaalsContact CD1-C 3.42Å; I64-G85 PolarHBondContact N-O 2.86Å
86F98.6Very high97.6Very high58 Ų5861.2 Ų61.225%0.25434%0.339SS..EExtended strand (participates in β ladder)trans-133.6135.1175.5177.5-100.4000111.5I64 F72 P76 A79 L88I64-F86 HydrophobicContact CB-CD2 4.09Å; I64-F86 HydrophobicContact CG2-CD2 3.98Å; I64-F86 HydrophobicContact CG2-CE2 4.25Å; I64-F86 CarbonylContact O-C 3.5Å; I64-F86 VanDerWaalsContact O-CA 3.26Å; I64-F86 WeakPolarHBondContact O-CA 3.34Å; I64-F86 WeakPolarHBondContact O-CD2 3.44Å; F72-F86 AromaticContact CD1-CZ 3.94Å; F72-F86 HydrophobicContact CD1-CZ 3.94Å; P76-F86 HydrophobicContact CB-CD1 4.45Å; P76-F86 HydrophobicContact CG-CD1 3.84Å; P76-F86 HydrophobicContact CG-CD2 4.33Å; P76-F86 HydrophobicContact CG-CE1 3.6Å; P76-F86 HydrophobicContact CG-CE2 4.17Å; P76-F86 HydrophobicContact CG-CG 4.19Å; P76-F86 HydrophobicContact CG-CZ 3.79Å; A79-F86 HydrophobicContact CB-CB 3.86Å; F86-L88 HydrophobicContact CD1-CD2 4.46Å; F86-L88 HydrophobicContact CE1-CD2 3.43Å; F86-L88 VanDerWaalsContact CE1-CD2 3.43Å; F86-L88 HydrophobicContact CE1-CG 3.96Å; F86-L88 HydrophobicContact CZ-CD2 4.02Å
87V98.1Very high97.4Very high16 Ų1661.7 Ų61.710%0.09735%0.353CS..EExtended strand (participates in β ladder)trans-123.8142.9178.2165.50000111.3L63 I64 V65 G66 V115 A119 V120L63-V87 HydrophobicContact CD1-CG2 4.12Å; L63-V87 HydrophobicContact CD2-CB 4.07Å; L63-V87 HydrophobicContact CD2-CG2 3.53Å; L63-V87 HydrophobicContact CG-CG2 4.1Å; I64-V87 PolarHBondContact O-N 3.12Å; V65-V87 WeakPolarHBondContact CA-O 3.48Å; V65-V87 HydrophobicContact CG2-CB 4.35Å; G66-V87 PolarHBondContact N-O 3.02Å; V87-V115 HydrophobicContact CG1-CG2 3.61Å; V87-A119 HydrophobicContact CG1-CB 3.87Å; V87-A119 HydrophobicContact CG2-CB 4.16Å; V87-A119 WeakPolarHBondContact CG2-O 3.33Å; V87-V120 HydrophobicContact CG1-CG2 4.3Å; V87-V120 HydrophobicContact CG2-CG2 4.4Å
88L96.8Very high97.4Very high68 Ų6862.3 Ų62.336%0.35636%0.361SS..EExtended strand (participates in β ladder)trans-95.8122.1178.1-59.9163.1000110F72 F86 R90F72-L88 HydrophobicContact CD1-CD2 3.45Å; F72-L88 VanDerWaalsContact CD1-CD2 3.45Å; F72-L88 HydrophobicContact CD2-CD2 3.79Å; F72-L88 HydrophobicContact CE1-CB 4.1Å; F72-L88 HydrophobicContact CE1-CD2 3.32Å; F72-L88 HydrophobicContact CE1-CG 4.32Å; F72-L88 HydrophobicContact CE2-CD2 3.68Å; F72-L88 HydrophobicContact CG-CD2 3.69Å; F72-L88 HydrophobicContact CZ-CB 4.01Å; F72-L88 HydrophobicContact CZ-CD2 3.44Å; F72-L88 VanDerWaalsContact CZ-CD2 3.44Å; F72-L88 HydrophobicContact CZ-CG 4.33Å; F86-L88 HydrophobicContact CD1-CD2 4.46Å; F86-L88 HydrophobicContact CE1-CD2 3.43Å; F86-L88 VanDerWaalsContact CE1-CD2 3.43Å; F86-L88 HydrophobicContact CE1-CG 3.96Å; F86-L88 HydrophobicContact CZ-CD2 4.02Å; L88-R90 HydrophobicContact CB-CG 4.09Å
89V98.1Very high97.4Very high1 Ų164.3 Ų64.31%0.00637%0.374CS..EExtended strand (participates in β ladder)trans-95.1121.3159.2171.60000108.1V65 G66 D68 F72 V113 V115 A142 L145 M146V65-V89 HydrophobicContact CG1-CB 4.44Å; V65-V89 HydrophobicContact CG1-CG2 3.46Å; V65-V89 VanDerWaalsContact CG1-CG2 3.46Å; G66-V89 PolarHBondContact O-N 3.12Å; D68-V89 PolarHBondContact N-O 2.96Å; F72-V89 WeakPolarHBondContact CZ-O 3.35Å; V89-V113 HydrophobicContact CG1-CB 3.73Å; V89-V113 HydrophobicContact CG1-CG1 4.21Å; V89-V113 HydrophobicContact CG1-CG2 4.24Å; V89-V115 HydrophobicContact CG2-CB 4.49Å; V89-A142 HydrophobicContact CG1-CB 4.22Å; V89-L145 HydrophobicContact CG1-CD2 4.06Å; V89-L145 HydrophobicContact CG2-CD2 4.23Å; V89-M146 HydrophobicContact CG2-CE 3.85Å
90R97.6Very high97.3Very high69 Ų6965.8 Ų65.826%0.2638%0.382SS..EExtended strand (participates in β ladder)trans-116.9163.9-173.8-56.8-152.669-1796.7112.8D68 F72 L88 K94 L95 V113 E114D68-R90 IonicContact OD2-CZ 3.39Å; D68-R90 IonicContact OD2-NE 2.92Å; D68-R90 PolarHBondContact OD2-NE 3.48Å; D68-R90 IonicContact OD2-NH2 2.82Å; D68-R90 PolarHBondContact OD2-NH2 3.38Å; F72-R90 HydrophobicContact CZ-CG 4.07Å; L88-R90 HydrophobicContact CB-CG 4.09Å; R90-K94 HydrophobicContact CB-CB 4.01Å; R90-K94 PolarHBondContact NH1-O 3.36Å; R90-K94 VanDerWaalsContact NH1-O 3.12Å; R90-L95 HydrophobicContact CB-CD1 4.26Å; R90-L95 HydrophobicContact CB-CD2 4.45Å; R90-L95 HydrophobicContact CB-CG 3.96Å; R90-L95 VanDerWaalsContact CD-CD2 3.45Å; R90-L95 HydrophobicContact CG-CD1 4.15Å; R90-L95 HydrophobicContact CG-CD2 3.68Å; R90-L95 HydrophobicContact CG-CG 3.74Å; R90-V113 CarbonylContact O-C 3.53Å; R90-V113 WeakPolarHBondContact O-CA 3.42Å; R90-E114 HydrophobicContact CB-CG 4.5Å; R90-E114 PolarHBondContact N-O 3.21Å; R90-E114 PolarHBondContact O-N 3.24Å
91K95.3Very high97.2Very high128 Ų12860.7 Ų60.756%0.55736%0.362SS*.EExtended strand (participates in β ladder)trans-65148.5163.8-63.6179.7-178.4178.40109.4K94K91-K94 HydrophobicContact CB-CG 4.45Å; K91-K94 VanDerWaalsContact O-CB 3.28Å; K91-K94 WeakPolarHBondContact O-CB 3.33Å; K91-K94 VanDerWaalsContact O-CG 3.3Å; K91-K94 WeakPolarHBondContact O-CG 3.22Å; K91-K94 PolarHBondContact O-N 3.26Å
92K94.9Very high97.1Very high121 Ų12156.8 Ų56.853%0.52635%0.348SS..THydrogen-bonded Turntrans-48.1137.2179.9-178.5156.5179.9167.90114.7E112 E114K92-E112 HydrophobicContact CB-CB 4.15Å; K92-E112 HydrophobicContact CB-CG 4.44Å; K92-E112 HydrophobicContact CD-CB 4.2Å; K92-E112 HydrophobicContact CD-CG 4.03Å; K92-E112 WeakPolarHBondContact CD-OE1 3.19Å; K92-E112 WeakPolarHBondContact CD-OE2 3.4Å; K92-E112 WeakPolarHBondContact CE-OE2 3.46Å; K92-E112 PolarHBondContact N-O 2.94Å; K92-E112 IonicContact NZ-OE1 3.94Å; K92-E112 PolarHBondContact NZ-OE1 2.96Å; K92-E112 IonicContact NZ-OE2 2.94Å; K92-E112 PolarHBondContact NZ-OE2 3.35Å; K92-E114 VanDerWaalsContact CA-CD 3.49Å; K92-E114 VanDerWaalsContact CA-OE2 3.27Å; K92-E114 WeakPolarHBondContact CA-OE2 3.48Å
93G95.6Very high96.9Very high64 Ų6457.9 Ų57.966%0.6636%0.36SS*.THydrogen-bonded Turntrans75.721.5177.200000114.3E114G93-E114 PolarHBondContact N-OE1 3.1Å; G93-E114 PolarHBondContact N-OE2 2.89Å
94K96.2Very high96.4Very high126 Ų12656.3 Ų56.355%0.54833%0.333SS..  trans-113.9-11.5179.4-64.4-64.1-173.6-175.40113.3R90 K91 E114R90-K94 HydrophobicContact CB-CB 4.01Å; R90-K94 PolarHBondContact NH1-O 3.36Å; R90-K94 VanDerWaalsContact NH1-O 3.12Å; K91-K94 HydrophobicContact CB-CG 4.45Å; K91-K94 VanDerWaalsContact O-CB 3.28Å; K91-K94 WeakPolarHBondContact O-CB 3.33Å; K91-K94 VanDerWaalsContact O-CG 3.3Å; K91-K94 WeakPolarHBondContact O-CG 3.22Å; K91-K94 PolarHBondContact O-N 3.26Å; K94-E114 PolarHBondContact N-OE1 3.28Å
95L96.4Very high95.7Very high23 Ų2363.1 Ų63.112%0.1236%0.36CS..SBendtrans-98143.4171.1-69.3173.4000110.9R90 T99 E114 Q116R90-L95 HydrophobicContact CB-CD1 4.26Å; R90-L95 HydrophobicContact CB-CD2 4.45Å; R90-L95 HydrophobicContact CB-CG 3.96Å; R90-L95 VanDerWaalsContact CD-CD2 3.45Å; R90-L95 HydrophobicContact CG-CD1 4.15Å; R90-L95 HydrophobicContact CG-CD2 3.68Å; R90-L95 HydrophobicContact CG-CG 3.74Å; L95-T99 HydrophobicContact CB-CG2 3.85Å; L95-T99 HydrophobicContact CD1-CG2 4.47Å; L95-E114 HydrophobicContact CD1-CG 4.04Å; L95-E114 WeakPolarHBondContact CD1-O 3.19Å; L95-E114 HydrophobicContact CG-CG 4.4Å; L95-E114 PolarHBondContact N-OE1 2.91Å; L95-Q116 HydrophobicContact CB-CG 4.11Å; L95-Q116 HydrophobicContact CD1-CG 4.18Å
96P95.9Very high94.9Very high92 Ų9265.8 Ų65.860%0.59737%0.366SS*.  trans-78.3157.7169.834.4-34.2000110.9Q116P96-Q116 PolarHBondContact O-NE2 3.31Å
97G96.1Very high93.6Very high60 Ų6071.1 Ų71.162%0.61939%0.391SS*.SBendtrans76.1-168.2173.300000114.5
98P97.5Very high92.3Very high85 Ų8579.7 Ų79.755%0.55242%0.423SS*.SBendtrans-67.1137.5177.2-2033.7000112.2Q116 E117P98-Q116 WeakPolarHBondContact O-CA 3.28Å; P98-E117 HydrophobicContact CB-CB 4.4Å; P98-E117 VanDerWaalsContact CB-CD 3.48Å; P98-E117 HydrophobicContact CB-CG 4.05Å; P98-E117 WeakPolarHBondContact CB-OE2 3.31Å; P98-E117 PolarHBondContact O-N 3.02Å; P98-E117 VanDerWaalsContact O-N 3.08Å
99T98Very high91.6Very high43 Ų4379 Ų7926%0.26443%0.433SS..EExtended strand (participates in β ladder)trans-137.8144.8-176.257.80000111.7L95 V115 Q116L95-T99 HydrophobicContact CB-CG2 3.85Å; L95-T99 HydrophobicContact CD1-CG2 4.47Å; T99-V115 CarbonylContact C-O 3.56Å; T99-V115 WeakPolarHBondContact CA-O 3.5Å; T99-V115 WeakPolarHBondContact CB-O 3.5Å; T99-Q116 HydrophobicContact CG2-CG 4.43Å
100V97.3Very high91.1Very high33 Ų3385.5 Ų85.520%0.246%0.463CS..EExtended strand (participates in β ladder)trans-95.9148.7163.7-174.20000109E114 V115 E117 L145 K148 Q149V100-E114 WeakPolarHBondContact O-CA 3.41Å; V100-E114 WeakPolarHBondContact O-CB 3.22Å; V100-V115 PolarHBondContact N-O 3.2Å; V100-V115 PolarHBondContact O-N 2.79Å; V100-E117 HydrophobicContact CG2-CG 3.72Å; V100-L145 HydrophobicContact CB-CD1 4.08Å; V100-L145 HydrophobicContact CG1-CD1 3.88Å; V100-L145 WeakPolarHBondContact O-CD1 3.31Å; V100-K148 HydrophobicContact CG1-CB 4.41Å; V100-K148 HydrophobicContact CG1-CD 4.18Å; V100-Q149 VanDerWaalsContact CG2-OE1 3.25Å
101S97.1Very high90.8Very high37 Ų3783.5 Ų83.526%0.25946%0.461SS..EExtended strand (participates in β ladder)trans-137.4157.7-178.566.70000114.9E112 V113 K148S101-E112 WeakPolarHBondContact CB-OE1 3.43Å; S101-E112 PolarHBondContact OG-OE1 2.78Å; S101-V113 CarbonylContact C-O 3.5Å; S101-V113 WeakPolarHBondContact CA-O 3.43Å; S101-V113 WeakPolarHBondContact CB-O 3.46Å; S101-K148 PolarHBondContact O-NZ 2.82Å
102V96.6Very high90.7Very high6 Ų679.7 Ų79.74%0.03645%0.445CS..EExtended strand (participates in β ladder)trans-135.5124.9173.6173.70000108.7E112 V113 A141 E144 L145 K148V102-E112 WeakPolarHBondContact O-CA 3.4Å; V102-V113 HydrophobicContact CB-CG2 4.38Å; V102-V113 PolarHBondContact N-O 3.49Å; V102-V113 PolarHBondContact O-N 2.89Å; V102-A141 HydrophobicContact CG1-CB 3.98Å; V102-E144 HydrophobicContact CG1-CB 4.25Å; V102-E144 HydrophobicContact CG2-CB 4.3Å; V102-L145 HydrophobicContact CB-CB 4.41Å; V102-L145 HydrophobicContact CG2-CB 3.87Å; V102-L145 HydrophobicContact CG2-CD1 3.98Å; V102-K148 HydrophobicContact CG2-CD 3.81Å
103A93.9Very high90.8Very high45 Ų4574.2 Ų74.237%0.37242%0.422SS..EExtended strand (participates in β ladder)trans-88.8146.5174.300000110.8E110 A111 E112A103-E110 HydrophobicContact CB-CG 4Å; A103-E110 WeakPolarHBondContact CB-OE1 3.45Å; A103-A111 CarbonylContact C-O 3.58Å; A103-A111 WeakPolarHBondContact CA-O 3.38Å; A103-E112 HydrophobicContact CB-CB 4.47Å; A103-E112 HydrophobicContact CB-CG 4.34Å
104Y87.1Confident90.9Very high36 Ų3671.5 Ų71.514%0.14139%0.392CS..EExtended strand (participates in β ladder)trans-143.5148.917970.1-80.9000111.4L106 A111 V113 T138 A141Y104-L106 HydrophobicContact CD2-CD2 4.29Å; Y104-L106 HydrophobicContact CE2-CD2 3.59Å; Y104-L106 HydrophobicContact CE2-CG 4.42Å; Y104-A111 HydrophobicContact CD1-CB 4.29Å; Y104-A111 WeakPolarHBondContact CD1-O 3.47Å; Y104-A111 HydrophobicContact CE1-CB 3.58Å; Y104-A111 HydrophobicContact CE2-CB 4.14Å; Y104-A111 VanDerWaalsContact CZ-CB 3.5Å; Y104-A111 PolarHBondContact N-O 3.04Å; Y104-A111 PolarHBondContact O-N 2.89Å; Y104-V113 HydrophobicContact CE1-CG1 3.93Å; Y104-T138 HydrophobicContact CE1-CG2 4.48Å; Y104-T138 WeakPolarHBondContact CE2-OG1 3.39Å; Y104-T138 PolarHBondContact OH-OG1 3.33Å; Y104-A141 HydrophobicContact CD1-CB 3.82Å; Y104-A141 HydrophobicContact CG-CB 4.01Å
105K84.8Confident91Very high181 Ų18165.6 Ų65.679%0.78737%0.366SS*.EExtended strand (participates in β ladder)trans-80.1134.2-176.5-64.8-176.5179.3-179.70111.5
106L81.2Confident91.1Very high89 Ų8967.4 Ų67.447%0.46637%0.374SS..  trans-96.4172.2163.7-61.2177.3000109.2Y104 Y108 G109 A111Y104-L106 HydrophobicContact CD2-CD2 4.29Å; Y104-L106 HydrophobicContact CE2-CD2 3.59Å; Y104-L106 HydrophobicContact CE2-CG 4.42Å; L106-Y108 PolarHBondContact O-N 3.39Å; L106-G109 PolarHBondContact N-O 2.92Å; L106-A111 HydrophobicContact CD1-CB 3.89Å; L106-A111 HydrophobicContact CG-CB 4.15Å
107E72.1Confident91.1Very high170 Ų17068.3 Ų68.379%0.79437%0.371SS*.SBendtrans-59.3-38.1171.5-169.7178.1-177.400111.2
108Y69.6Low91Very high197 Ų19771.7 Ų71.777%0.77338%0.375SS*.SBendtrans-129.694.1174-56.9-77.1000109.4L106L106-Y108 PolarHBondContact O-N 3.39Å
109G82.6Confident91Very high53 Ų5369 Ų6955%0.54636%0.359SS..SBendtrans106.8-165.4174.100000114.8L106L106-G109 PolarHBondContact N-O 2.92Å
110E87.8Confident90.9Very high138 Ų13867.3 Ų67.365%0.64535%0.349SS*.EExtended strand (participates in β ladder)trans-127.5143.5-178.9-174.3168.6-141.900108.8A103A103-E110 HydrophobicContact CB-CG 4Å; A103-E110 WeakPolarHBondContact CB-OE1 3.45Å
111A90.6Very high90.9Very high27 Ų2768.3 Ų68.322%0.22336%0.36CS..EExtended strand (participates in β ladder)trans-127.6160.2172.300000109.1A103 Y104 L106A103-A111 CarbonylContact C-O 3.58Å; A103-A111 WeakPolarHBondContact CA-O 3.38Å; Y104-A111 HydrophobicContact CD1-CB 4.29Å; Y104-A111 WeakPolarHBondContact CD1-O 3.47Å; Y104-A111 HydrophobicContact CE1-CB 3.58Å; Y104-A111 HydrophobicContact CE2-CB 4.14Å; Y104-A111 VanDerWaalsContact CZ-CB 3.5Å; Y104-A111 PolarHBondContact N-O 3.04Å; Y104-A111 PolarHBondContact O-N 2.89Å; L106-A111 HydrophobicContact CD1-CB 3.89Å; L106-A111 HydrophobicContact CG-CB 4.15Å
112E93.9Very high90.9Very high48 Ų4871.5 Ų71.522%0.22438%0.38CS..EExtended strand (participates in β ladder)trans-135.9131.9-174.7-169.4174.7164.400109.5K92 S101 V102 A103K92-E112 HydrophobicContact CB-CB 4.15Å; K92-E112 HydrophobicContact CB-CG 4.44Å; K92-E112 HydrophobicContact CD-CB 4.2Å; K92-E112 HydrophobicContact CD-CG 4.03Å; K92-E112 WeakPolarHBondContact CD-OE1 3.19Å; K92-E112 WeakPolarHBondContact CD-OE2 3.4Å; K92-E112 WeakPolarHBondContact CE-OE2 3.46Å; K92-E112 PolarHBondContact N-O 2.94Å; K92-E112 IonicContact NZ-OE1 3.94Å; K92-E112 PolarHBondContact NZ-OE1 2.96Å; K92-E112 IonicContact NZ-OE2 2.94Å; K92-E112 PolarHBondContact NZ-OE2 3.35Å; S101-E112 WeakPolarHBondContact CB-OE1 3.43Å; S101-E112 PolarHBondContact OG-OE1 2.78Å; V102-E112 WeakPolarHBondContact O-CA 3.4Å; A103-E112 HydrophobicContact CB-CB 4.47Å; A103-E112 HydrophobicContact CB-CG 4.34Å
113V96.5Very high91Very high6 Ų673.3 Ų73.34%0.03640%0.401CS..EExtended strand (participates in β ladder)trans-104.8146.2172.5-67.20000110.1V89 R90 S101 V102 Y104 T138 A141 L145V89-V113 HydrophobicContact CG1-CB 3.73Å; V89-V113 HydrophobicContact CG1-CG1 4.21Å; V89-V113 HydrophobicContact CG1-CG2 4.24Å; R90-V113 CarbonylContact O-C 3.53Å; R90-V113 WeakPolarHBondContact O-CA 3.42Å; S101-V113 CarbonylContact C-O 3.5Å; S101-V113 WeakPolarHBondContact CA-O 3.43Å; S101-V113 WeakPolarHBondContact CB-O 3.46Å; V102-V113 HydrophobicContact CB-CG2 4.38Å; V102-V113 PolarHBondContact N-O 3.49Å; V102-V113 PolarHBondContact O-N 2.89Å; Y104-V113 HydrophobicContact CE1-CG1 3.93Å; V113-T138 HydrophobicContact CG1-CG2 4.03Å; V113-A141 HydrophobicContact CG2-CB 3.79Å; V113-L145 HydrophobicContact CG2-CD2 4.26Å
114E97.9Very high91.2Very high7 Ų773.2 Ų73.23%0.03339%0.392CS..EExtended strand (participates in β ladder)trans-134.9154.5-178.166.3-179.6-166.200112.1R90 K92 G93 K94 L95 V100R90-E114 HydrophobicContact CB-CG 4.5Å; R90-E114 PolarHBondContact N-O 3.21Å; R90-E114 PolarHBondContact O-N 3.24Å; K92-E114 VanDerWaalsContact CA-CD 3.49Å; K92-E114 VanDerWaalsContact CA-OE2 3.27Å; K92-E114 WeakPolarHBondContact CA-OE2 3.48Å; G93-E114 PolarHBondContact N-OE1 3.1Å; G93-E114 PolarHBondContact N-OE2 2.89Å; K94-E114 PolarHBondContact N-OE1 3.28Å; L95-E114 HydrophobicContact CD1-CG 4.04Å; L95-E114 WeakPolarHBondContact CD1-O 3.19Å; L95-E114 HydrophobicContact CG-CG 4.4Å; L95-E114 PolarHBondContact N-OE1 2.91Å; V100-E114 WeakPolarHBondContact O-CA 3.41Å; V100-E114 WeakPolarHBondContact O-CB 3.22Å
115V98.2Very high91.7Very high1 Ų174.3 Ų74.31%0.00640%0.398CS..EExtended strand (participates in β ladder)trans-138.8149.3171.572.90000107.8V87 V89 T99 V100 A119 L145 M146 Q149V87-V115 HydrophobicContact CG1-CG2 3.61Å; V89-V115 HydrophobicContact CG2-CB 4.49Å; T99-V115 CarbonylContact C-O 3.56Å; T99-V115 WeakPolarHBondContact CA-O 3.5Å; T99-V115 WeakPolarHBondContact CB-O 3.5Å; V100-V115 PolarHBondContact N-O 3.2Å; V100-V115 PolarHBondContact O-N 2.79Å; V115-A119 HydrophobicContact CG2-CB 3.55Å; V115-L145 HydrophobicContact CB-CD2 3.8Å; V115-L145 HydrophobicContact CB-CG 4.3Å; V115-L145 HydrophobicContact CG1-CD1 3.98Å; V115-L145 HydrophobicContact CG1-CD2 3.77Å; V115-L145 HydrophobicContact CG1-CG 3.71Å; V115-M146 HydrophobicContact CB-CE 4.14Å; V115-M146 HydrophobicContact CG1-CE 3.93Å; V115-M146 HydrophobicContact CG2-CE 4.16Å; V115-Q149 HydrophobicContact CG1-CG 3.96Å
116Q97.8Very high92.4Very high62 Ų6265.7 Ų65.729%0.2936%0.36SS..EExtended strand (participates in β ladder)trans-63.9143.7174.3-67.5173.9-104.600110.6L95 P96 P98 T99 D118 A119 Q149L95-Q116 HydrophobicContact CB-CG 4.11Å; L95-Q116 HydrophobicContact CD1-CG 4.18Å; P96-Q116 PolarHBondContact O-NE2 3.31Å; P98-Q116 WeakPolarHBondContact O-CA 3.28Å; T99-Q116 HydrophobicContact CG2-CG 4.43Å; Q116-D118 WeakPolarHBondContact CB-OD1 3.3Å; Q116-D118 PolarHBondContact O-N 3.03Å; Q116-A119 HydrophobicContact CB-CB 4.21Å; Q116-A119 VanDerWaalsContact O-CB 3.24Å; Q116-A119 WeakPolarHBondContact O-CB 3.36Å; Q116-A119 PolarHBondContact O-N 3.1Å; Q116-A119 VanDerWaalsContact O-N 3.09Å; Q116-Q149 PolarHBondContact O-NE2 2.99Å
117E96.4Very high93.2Very high111 Ų11161.5 Ų61.552%0.51934%0.339SS..THydrogen-bonded Turntrans-58.9-29.2-176-77.9178.1-171.700113.5P98 V100 Q149P98-E117 HydrophobicContact CB-CB 4.4Å; P98-E117 VanDerWaalsContact CB-CD 3.48Å; P98-E117 HydrophobicContact CB-CG 4.05Å; P98-E117 WeakPolarHBondContact CB-OE2 3.31Å; P98-E117 PolarHBondContact O-N 3.02Å; P98-E117 VanDerWaalsContact O-N 3.08Å; V100-E117 HydrophobicContact CG2-CG 3.72Å; E117-Q149 PolarHBondContact O-NE2 3.32Å
118D95.1Very high94.5Very high131 Ų13153.4 Ų53.470%0.70130%0.301SS*.THydrogen-bonded Turntrans-99.74.8-178.965-21.7000113.6Q116 V120Q116-D118 WeakPolarHBondContact CB-OD1 3.3Å; Q116-D118 PolarHBondContact O-N 3.03Å; D118-V120 VanDerWaalsContact C-N 3.28Å; D118-V120 PolarHBondContact O-N 3.32Å
119A96.1Very high95.9Very high28 Ų2844 Ų4423%0.23126%0.264CS..SBendtrans-68.9-26-173.500000113.9V87 V115 Q116V87-A119 HydrophobicContact CG1-CB 3.87Å; V87-A119 HydrophobicContact CG2-CB 4.16Å; V87-A119 WeakPolarHBondContact CG2-O 3.33Å; V115-A119 HydrophobicContact CG2-CB 3.55Å; Q116-A119 HydrophobicContact CB-CB 4.21Å; Q116-A119 VanDerWaalsContact O-CB 3.24Å; Q116-A119 WeakPolarHBondContact O-CB 3.36Å; Q116-A119 PolarHBondContact O-N 3.1Å; Q116-A119 VanDerWaalsContact O-N 3.09Å
120V96.9Very high96.6Very high8 Ų842.3 Ų42.35%0.04824%0.242CC..SBendtrans-137.9132-172.6-172.30000109L63 V87 D118 E124 V126 M146 Q149 A151L63-V120 HydrophobicContact CD2-CG1 4.26Å; L63-V120 HydrophobicContact CD2-CG2 3.89Å; V87-V120 HydrophobicContact CG1-CG2 4.3Å; V87-V120 HydrophobicContact CG2-CG2 4.4Å; D118-V120 VanDerWaalsContact C-N 3.28Å; D118-V120 PolarHBondContact O-N 3.32Å; V120-E124 WeakPolarHBondContact CA-OE2 3.25Å; V120-E124 HydrophobicContact CG1-CB 4Å; V120-E124 HydrophobicContact CG1-CG 4.47Å; V120-E124 WeakPolarHBondContact CG1-OE2 3.37Å; V120-V126 HydrophobicContact CG1-CG1 4.04Å; V120-M146 HydrophobicContact CG2-SD 3.96Å; V120-Q149 HydrophobicContact CB-CB 4.48Å; V120-A151 HydrophobicContact CG1-CB 3.59Å
121A96Very high97.1Very high53 Ų5335.7 Ų35.744%0.43821%0.211SC..  trans-80.5147.3176.700000111.2G123 E124A121-G123 PolarHBondContact O-N 3.4Å; A121-E124 HydrophobicContact CB-CB 4.29Å; A121-E124 PolarHBondContact N-OE2 2.88Å; A121-E124 WeakPolarHBondContact O-CB 3.35Å; A121-E124 PolarHBondContact O-N 2.79Å
122P97.4Very high97.4Very high104 Ų10435.9 Ų35.968%0.67521%0.208SC*.THydrogen-bonded Turntrans-56.4130.3172.3-25.735.1000111.9E124 N150P122-E124 VanDerWaalsContact C-N 3.27Å; P122-E124 PolarHBondContact O-N 2.84Å; P122-N150 HydrophobicContact CB-CB 4.02Å
123G98.1Very high97.6Very high45 Ų4533.8 Ų33.846%0.46420%0.198SC..THydrogen-bonded Turntrans81.5-3.6-177.700000114.9A121 K125 N150A121-G123 PolarHBondContact O-N 3.4Å; G123-K125 PolarHBondContact O-N 3.31Å; G123-N150 PolarHBondContact N-O 3.17Å
124E98.3Very high97.4Very high42 Ų4235 Ų3520%0.19621%0.209CC..  trans-63.4132.8178.8-170.8166.9-14700110.7E62 L63 V120 A121 P122 V126 E152E62-E124 HydrophobicContact CB-CG 4.04Å; L63-E124 HydrophobicContact CB-CG 4.24Å; V120-E124 WeakPolarHBondContact CA-OE2 3.25Å; V120-E124 HydrophobicContact CG1-CB 4Å; V120-E124 HydrophobicContact CG1-CG 4.47Å; V120-E124 WeakPolarHBondContact CG1-OE2 3.37Å; A121-E124 HydrophobicContact CB-CB 4.29Å; A121-E124 PolarHBondContact N-OE2 2.88Å; A121-E124 WeakPolarHBondContact O-CB 3.35Å; A121-E124 PolarHBondContact O-N 2.79Å; P122-E124 VanDerWaalsContact C-N 3.27Å; P122-E124 PolarHBondContact O-N 2.84Å; E124-V126 HydrophobicContact CG-CG1 4.45Å; E124-V126 PolarHBondContact O-N 2.98Å; E124-E152 PolarHBondContact O-N 2.98Å
125K98.6Very high97.2Very high60 Ų6038.2 Ų38.226%0.26123%0.229SC..EExtended strand (participates in β ladder)trans-88.1111.7-174.9-71.5173.9-175.1156.10111.6Q60 E62 L63 G123 E152 M154Q60-K125 HydrophobicContact CB-CD 4.11Å; Q60-K125 HydrophobicContact CG-CD 3.58Å; Q60-K125 WeakPolarHBondContact O-CD 3.31Å; E62-K125 HydrophobicContact CG-CB 4.42Å; E62-K125 PolarHBondContact N-O 2.98Å; E62-K125 PolarHBondContact OE2-N 3.22Å; L63-K125 PolarHBondContact N-O 2.92Å; G123-K125 PolarHBondContact O-N 3.31Å; K125-E152 WeakPolarHBondContact CE-OE2 3.47Å; K125-E152 HydrophobicContact CG-CB 4.03Å; K125-E152 HydrophobicContact CG-CG 4.38Å; K125-M154 HydrophobicContact CB-CG 4.09Å; K125-M154 HydrophobicContact CB-SD 3.76Å; K125-M154 HydrophobicContact CG-SD 4.48Å
126V98.7Very high96.9Very high0 Ų038.3 Ų38.30%023%0.231CC..EExtended strand (participates in β ladder)trans-114.8140.1-169.8-50.10000112.5L63 V65 V120 E124 L128 M146 A151 E152 V153 M154L63-V126 HydrophobicContact CB-CG1 3.98Å; L63-V126 HydrophobicContact CD2-CG1 4.04Å; L63-V126 WeakPolarHBondContact O-CA 3.3Å; V65-V126 HydrophobicContact CG2-CB 3.91Å; V65-V126 HydrophobicContact CG2-CG1 4.24Å; V65-V126 HydrophobicContact CG2-CG2 4.42Å; V120-V126 HydrophobicContact CG1-CG1 4.04Å; E124-V126 HydrophobicContact CG-CG1 4.45Å; E124-V126 PolarHBondContact O-N 2.98Å; V126-L128 HydrophobicContact CG2-CD1 4.22Å; V126-M146 HydrophobicContact CG2-CB 4.21Å; V126-M146 HydrophobicContact CG2-CG 4.07Å; V126-A151 HydrophobicContact CG1-CB 4.08Å; V126-A151 HydrophobicContact CG2-CB 4.23Å; V126-E152 PolarHBondContact N-O 3Å; V126-V153 HydrophobicContact CG2-CG2 4.07Å; V126-M154 PolarHBondContact O-N 2.79Å
127L98.8Very high96.6Very high1 Ų136.1 Ų36.11%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-112130.2165.3-79.8175000110V54 H58 V61 L63 I64 V65 M154 M157V54-L127 HydrophobicContact CB-CD1 4.33Å; V54-L127 HydrophobicContact CG1-CD1 3.83Å; V54-L127 HydrophobicContact CG2-CD1 3.6Å; H58-L127 HydrophobicContact CB-CD1 3.9Å; V61-L127 HydrophobicContact CB-CD1 4.2Å; V61-L127 HydrophobicContact CG2-CB 4.11Å; V61-L127 HydrophobicContact CG2-CD1 3.92Å; V61-L127 HydrophobicContact CG2-CG 3.91Å; L63-L127 PolarHBondContact O-N 3.39Å; I64-L127 WeakPolarHBondContact CA-O 3.34Å; I64-L127 HydrophobicContact CD1-CB 3.96Å; V65-L127 PolarHBondContact N-O 2.87Å; L127-M154 HydrophobicContact CD2-CB 3.73Å; L127-M154 HydrophobicContact CG-CB 4.15Å; L127-M157 HydrophobicContact CB-CE 4.09Å; L127-M157 HydrophobicContact CD1-CE 4.06Å; L127-M157 HydrophobicContact CD1-SD 4.46Å
128L98.8Very high96.5Very high0 Ų033 Ų330%021%0.213CC..EExtended strand (participates in β ladder)trans-90.3142177.7-67.483.2000110.4V65 L67 V126 L139 A142 M146 V153 G155 C156 M157V65-L128 HydrophobicContact CB-CG 4.23Å; V65-L128 HydrophobicContact CG1-CG 4.45Å; V65-L128 CarbonylContact O-C 3.54Å; V65-L128 VanDerWaalsContact O-CA 3.31Å; V65-L128 WeakPolarHBondContact O-CA 3.5Å; L67-L128 HydrophobicContact CD1-CB 4.45Å; L67-L128 HydrophobicContact CD1-CD2 4.32Å; V126-L128 HydrophobicContact CG2-CD1 4.22Å; L128-L139 HydrophobicContact CB-CD1 4.01Å; L128-L139 HydrophobicContact CD2-CD1 4.28Å; L128-A142 HydrophobicContact CD2-CB 3.5Å; L128-M146 HydrophobicContact CD1-CG 4.44Å; L128-V153 HydrophobicContact CD1-CG1 3.59Å; L128-V153 HydrophobicContact CD1-CG2 4.29Å; L128-G155 PolarHBondContact N-O 3.45Å; L128-G155 VanDerWaalsContact N-O 3.12Å; L128-C156 CarbonylContact O-C 3.15Å; L128-C156 WeakPolarHBondContact O-CA 3.34Å; L128-M157 PolarHBondContact O-N 3.18Å
129I98.6Very high96.5Very high0 Ų027 Ų270%018%0.181CC..EExtended strand (participates in β ladder)trans-134.9134.2178.1-170.2170.4000112F50 I64 V65 L67 F74 L78 M157F50-I129 HydrophobicContact CD2-CD1 4.03Å; F50-I129 HydrophobicContact CE2-CD1 3.96Å; I64-I129 HydrophobicContact CG2-CB 4.45Å; I64-I129 HydrophobicContact CG2-CG2 3.57Å; V65-I129 PolarHBondContact O-N 3.47Å; L67-I129 PolarHBondContact N-O 3.31Å; F74-I129 HydrophobicContact CB-CD1 3.99Å; L78-I129 HydrophobicContact CD2-CD1 4Å; I129-M157 WeakPolarHBondContact CA-O 3.25Å; I129-M157 HydrophobicContact CG1-CB 4.42Å
130D98.3Very high96.5Very high16 Ų1627 Ų279%0.08618%0.179CC..EExtended strand (participates in β ladder)trans-141.1174.9169.9-157.24.7000110.4L67 G71 M157 V158L67-D130 HydrophobicContact CB-CB 4.32Å; G71-D130 PolarHBondContact N-OD1 2.86Å; G71-D130 VanDerWaalsContact N-OD1 3.12Å; D130-M157 PolarHBondContact N-O 3.44Å; D130-M157 VanDerWaalsContact N-O 3.08Å; D130-V158 HydrophobicContact CB-CG1 4.36Å; D130-V158 WeakPolarHBondContact O-CA 3.29Å
131D97.7Very high96.5Very high0 Ų026.6 Ų26.60%018%0.177CC..EExtended strand (participates in β ladder)trans-77.9-39.5177.672-40.3000113.2I33 R70 F74 I159 I160I33-D131 HydrophobicContact CD1-CB 3.65Å; R70-D131 HydrophobicContact CB-CB 3.77Å; R70-D131 VanDerWaalsContact CB-CG 3.44Å; R70-D131 WeakPolarHBondContact CD-OD2 3.42Å; R70-D131 VanDerWaalsContact CZ-CG 3.44Å; R70-D131 IonicContact CZ-OD1 2.71Å; R70-D131 IonicContact CZ-OD2 3.17Å; R70-D131 IonicContact NE-OD1 2.75Å; R70-D131 PolarHBondContact NE-OD1 2.74Å; R70-D131 VanDerWaalsContact NE-OD1 3.16Å; R70-D131 IonicContact NE-OD2 3.16Å; R70-D131 PolarHBondContact NE-OD2 3.28Å; R70-D131 IonicContact NH1-OD1 2.66Å; R70-D131 IonicContact NH1-OD2 3.74Å; R70-D131 PolarHBondContact NH1-OD2 3.16Å; R70-D131 IonicContact NH2-OD1 2.96Å; R70-D131 PolarHBondContact NH2-OD1 3.06Å; R70-D131 IonicContact NH2-OD2 3.28Å; F74-D131 HydrophobicContact CE2-CB 4.42Å; D131-I159 WeakPolarHBondContact O-CA 3.49Å; D131-I159 WeakPolarHBondContact O-CB 3.41Å; D131-I159 PolarHBondContact O-N 3.11Å; D131-I160 PolarHBondContact O-N 2.9Å
132L97.4Very high96.5Very high30 Ų3024.1 Ų24.116%0.15716%0.156CC..EExtended strand (participates in β ladder)trans-144.6133.9-170.3-176.1149.1000113.1R31 A134 I160 L162R31-L132 HydrophobicContact CB-CD1 4.24Å; L132-A134 HydrophobicContact CD2-CB 3.72Å; L132-I160 CarbonylContact C-O 3.49Å; L132-I160 VanDerWaalsContact CA-O 3.25Å; L132-I160 WeakPolarHBondContact CA-O 3.31Å; L132-I160 HydrophobicContact CB-CB 4.19Å; L132-I160 HydrophobicContact CD1-CB 3.85Å; L132-I160 HydrophobicContact CD1-CD1 4.32Å; L132-I160 HydrophobicContact CD1-CG2 3.66Å; L132-I160 HydrophobicContact CG-CB 3.94Å; L132-I160 HydrophobicContact CG-CG2 4.03Å; L132-L162 HydrophobicContact CD1-CD1 4.42Å; L132-L162 HydrophobicContact CD1-CG 4.37Å; L132-L162 HydrophobicContact CD2-CD1 4.03Å; L132-L162 HydrophobicContact CD2-CG 4.22Å
133L97.2Very high96.5Very high4 Ų419.2 Ų19.22%0.02112%0.124CC..EExtended strand (participates in β ladder)trans-95.4113.8164.8-174.169.1000111G136 L139 V158 I160 E161 L162 V168 L171 L176L133-G136 VanDerWaalsContact CD1-CA 3.47Å; L133-L139 HydrophobicContact CD1-CD2 4.05Å; L133-V158 HydrophobicContact CB-CG1 4.14Å; L133-V158 HydrophobicContact CB-CG2 3.99Å; L133-I160 PolarHBondContact N-O 3.11Å; L133-E161 HydrophobicContact CD2-CG 4.39Å; L133-L162 PolarHBondContact O-N 3.4Å; L133-V168 HydrophobicContact CD2-CG2 3.95Å; L133-L171 HydrophobicContact CD1-CD1 4.01Å; L133-L171 HydrophobicContact CD2-CD1 3.84Å; L133-L176 HydrophobicContact CB-CD2 4.39Å; L133-L176 HydrophobicContact CD2-CD1 4.1Å; L133-L176 HydrophobicContact CD2-CD2 3.31Å; L133-L176 HydrophobicContact CD2-CG 4.25Å; L133-L176 HydrophobicContact CG-CD2 4.46Å
134A94.1Very high96.5Very high32 Ų3221.7 Ų21.726%0.26412%0.124SC..SBendtrans-100.2-107169.300000110.2L132 G136 L162 L165 G167L132-A134 HydrophobicContact CD2-CB 3.72Å; A134-G136 VanDerWaalsContact C-N 3.26Å; A134-G136 PolarHBondContact O-N 2.93Å; A134-L162 HydrophobicContact CB-CD1 4.26Å; A134-L165 HydrophobicContact CB-CD1 3.69Å; A134-G167 VanDerWaalsContact O-CA 3.31Å; A134-G167 WeakPolarHBondContact O-CA 3.13Å
135T93.1Very high96.4Very high74 Ų7419.7 Ų19.745%0.45411%0.114SC..SBendtrans-79.4-4.417966.90000114.2G137 L165 K170T135-G137 VanDerWaalsContact C-N 3.35Å; T135-G137 PolarHBondContact O-N 3.45Å; T135-L165 HydrophobicContact CG2-CD1 4.35Å; T135-K170 WeakPolarHBondContact O-CD 3.26Å; T135-K170 VanDerWaalsContact O-CE 3.31Å; T135-K170 WeakPolarHBondContact O-CE 3.14Å; T135-K170 PolarHBondContact O-NZ 3.27Å; T135-K170 VanDerWaalsContact O-NZ 3.11Å
136G91.6Very high96.4Very high4 Ų416.8 Ų16.84%0.04110%0.102CC..SBendtrans78.60.1178.800000117.3L133 A134 C140L133-G136 VanDerWaalsContact CD1-CA 3.47Å; A134-G136 VanDerWaalsContact C-N 3.26Å; A134-G136 PolarHBondContact O-N 2.93Å; G136-C140 WeakPolarHBondContact O-CB 3.12Å; G136-C140 PolarHBondContact O-N 3Å
137G92.3Very high96.3Very high15 Ų1521 Ų2116%0.15512%0.12CC..Hα-helixtrans-57.7-55-174.600000114.4T135 C140 A141T135-G137 VanDerWaalsContact C-N 3.35Å; T135-G137 PolarHBondContact O-N 3.45Å; G137-C140 PolarHBondContact O-N 2.94Å; G137-A141 WeakPolarHBondContact O-CB 3.4Å; G137-A141 PolarHBondContact O-N 3.27Å
138T92.9Very high96.2Very high46 Ų4626.6 Ų26.628%0.28215%0.145SC..Hα-helixtrans-66.7-40.9-176.4-48.50000112.4L67 Y104 V113 A141 A142L67-T138 HydrophobicContact CD2-CG2 3.88Å; Y104-T138 HydrophobicContact CE1-CG2 4.48Å; Y104-T138 WeakPolarHBondContact CE2-OG1 3.39Å; Y104-T138 PolarHBondContact OH-OG1 3.33Å; V113-T138 HydrophobicContact CG1-CG2 4.03Å; T138-A141 PolarHBondContact O-N 3.17Å; T138-A142 PolarHBondContact O-N 3.01Å
139L95.7Very high96.1Very high6 Ų627.7 Ų27.73%0.03115%0.15CC..Hα-helixtrans-70.9-36.1-179.6-163.964000111.8L67 L128 L133 A142 C143 C156 V158 L171 L176L67-L139 HydrophobicContact CD1-CD1 3.82Å; L67-L139 HydrophobicContact CD2-CB 4.36Å; L67-L139 HydrophobicContact CD2-CD1 3.72Å; L67-L139 HydrophobicContact CG-CD1 4.46Å; L128-L139 HydrophobicContact CB-CD1 4.01Å; L128-L139 HydrophobicContact CD2-CD1 4.28Å; L133-L139 HydrophobicContact CD1-CD2 4.05Å; L139-A142 PolarHBondContact O-N 3.41Å; L139-C143 PolarHBondContact O-N 3.08Å; L139-C143 PolarHBondContact O-SG 3.02Å; L139-C156 HydrophobicContact CD2-CB 3.75Å; L139-C156 HydrophobicContact CG-CB 4.25Å; L139-V158 HydrophobicContact CD2-CG1 4.19Å; L139-L171 HydrophobicContact CB-CD2 3.99Å; L139-L171 HydrophobicContact CD2-CD1 3.99Å; L139-L171 HydrophobicContact CD2-CD2 4.19Å; L139-L171 HydrophobicContact CG-CD2 4.02Å; L139-L176 HydrophobicContact CD2-CD1 4.17Å
140C95.9Very high96Very high26 Ų2633 Ų3318%0.17618%0.178CC..Hα-helixtrans-61.1-47.6169.9-175.50000111.4G136 G137 A142 C143 E144 K170 L171G136-C140 WeakPolarHBondContact O-CB 3.12Å; G136-C140 PolarHBondContact O-N 3Å; G137-C140 PolarHBondContact O-N 2.94Å; C140-A142 VanDerWaalsContact C-N 3.29Å; C140-A142 PolarHBondContact O-N 3.06Å; C140-C143 WeakPolarHBondContact O-CB 3.42Å; C140-C143 PolarHBondContact O-N 3.21Å; C140-C143 VanDerWaalsContact O-N 3.12Å; C140-E144 PolarHBondContact O-N 3.48Å; C140-K170 PolarHBondContact SG-O 3.25Å; C140-L171 HydrophobicContact CB-CD2 4.24Å
141A96.4Very high96Very high1 Ų132.8 Ų32.81%0.00818%0.178CC..Hα-helixtrans-60.3-39.117700000112.3V102 Y104 V113 G137 T138 E144 L145V102-A141 HydrophobicContact CG1-CB 3.98Å; Y104-A141 HydrophobicContact CD1-CB 3.82Å; Y104-A141 HydrophobicContact CG-CB 4.01Å; V113-A141 HydrophobicContact CG2-CB 3.79Å; G137-A141 WeakPolarHBondContact O-CB 3.4Å; G137-A141 PolarHBondContact O-N 3.27Å; T138-A141 PolarHBondContact O-N 3.17Å; A141-E144 PolarHBondContact O-N 3.25Å; A141-L145 WeakPolarHBondContact O-CB 3.41Å; A141-L145 PolarHBondContact O-N 2.93Å
142A97.3Very high96Very high0 Ų037.3 Ų37.30%020%0.199CC..Hα-helixtrans-66-41.2174.600000112L67 V89 L128 T138 L139 C140 E144 L145 M146L67-A142 HydrophobicContact CD1-CB 3.99Å; L67-A142 HydrophobicContact CD2-CB 3.89Å; L67-A142 HydrophobicContact CG-CB 4.04Å; V89-A142 HydrophobicContact CG1-CB 4.22Å; L128-A142 HydrophobicContact CD2-CB 3.5Å; T138-A142 PolarHBondContact O-N 3.01Å; L139-A142 PolarHBondContact O-N 3.41Å; C140-A142 VanDerWaalsContact C-N 3.29Å; C140-A142 PolarHBondContact O-N 3.06Å; A142-E144 PolarHBondContact O-N 3.09Å; A142-L145 WeakPolarHBondContact O-CB 3.48Å; A142-L145 PolarHBondContact O-N 2.88Å; A142-M146 WeakPolarHBondContact O-CG 3.36Å; A142-M146 PolarHBondContact O-N 3.32Å
143C97.6Very high96.1Very high1 Ų136.9 Ų36.91%0.00720%0.198CC..Hα-helixtrans-60.5-43.2172.8-71.40000112.2L139 C140 L145 M146 K147 V153 C156L139-C143 PolarHBondContact O-N 3.08Å; L139-C143 PolarHBondContact O-SG 3.02Å; C140-C143 WeakPolarHBondContact O-CB 3.42Å; C140-C143 PolarHBondContact O-N 3.21Å; C140-C143 VanDerWaalsContact O-N 3.12Å; C143-L145 VanDerWaalsContact C-N 3.32Å; C143-M146 PolarHBondContact O-N 2.96Å; C143-K147 WeakPolarHBondContact O-CG 3.34Å; C143-K147 PolarHBondContact O-N 2.86Å; C143-V153 HydrophobicContact CB-CG1 4.49Å; C143-C156 PolarHBondContact SG-SG 3.37Å
144E97.1Very high96.1Very high97 Ų9737.8 Ų37.845%0.45320%0.202SC..Hα-helixtrans-63.6-39.2175.5-71.6-177.9175.800111.8V102 C140 A141 A142 K147 K148V102-E144 HydrophobicContact CG1-CB 4.25Å; V102-E144 HydrophobicContact CG2-CB 4.3Å; C140-E144 PolarHBondContact O-N 3.48Å; A141-E144 PolarHBondContact O-N 3.25Å; A142-E144 PolarHBondContact O-N 3.09Å; E144-K147 PolarHBondContact O-N 2.76Å; E144-K148 WeakPolarHBondContact O-CG 3.39Å; E144-K148 PolarHBondContact O-N 3.46Å
145L97.1Very high96.3Very high0 Ų036.3 Ų36.30%019%0.19CC..Hα-helixtrans-62.9-44.1176.9-176.363.2000111.5V89 V100 V102 V113 V115 A141 A142 C143 K147 K148 Q149V89-L145 HydrophobicContact CG1-CD2 4.06Å; V89-L145 HydrophobicContact CG2-CD2 4.23Å; V100-L145 HydrophobicContact CB-CD1 4.08Å; V100-L145 HydrophobicContact CG1-CD1 3.88Å; V100-L145 WeakPolarHBondContact O-CD1 3.31Å; V102-L145 HydrophobicContact CB-CB 4.41Å; V102-L145 HydrophobicContact CG2-CB 3.87Å; V102-L145 HydrophobicContact CG2-CD1 3.98Å; V113-L145 HydrophobicContact CG2-CD2 4.26Å; V115-L145 HydrophobicContact CB-CD2 3.8Å; V115-L145 HydrophobicContact CB-CG 4.3Å; V115-L145 HydrophobicContact CG1-CD1 3.98Å; V115-L145 HydrophobicContact CG1-CD2 3.77Å; V115-L145 HydrophobicContact CG1-CG 3.71Å; A141-L145 WeakPolarHBondContact O-CB 3.41Å; A141-L145 PolarHBondContact O-N 2.93Å; A142-L145 WeakPolarHBondContact O-CB 3.48Å; A142-L145 PolarHBondContact O-N 2.88Å; C143-L145 VanDerWaalsContact C-N 3.32Å; L145-K147 VanDerWaalsContact C-N 3.34Å; L145-K147 PolarHBondContact O-N 3.39Å; L145-K148 WeakPolarHBondContact O-CB 3.47Å; L145-K148 PolarHBondContact O-N 3.19Å; L145-Q149 WeakPolarHBondContact O-CG 3.41Å; L145-Q149 PolarHBondContact O-N 3.35Å; L145-Q149 VanDerWaalsContact O-N 3.16Å
146M98Very high96.5Very high0 Ų032.9 Ų32.90%017%0.169CC..Hα-helixtrans-62.6-40.5174.3-66.4-54.89600111.8V65 V89 V115 V120 V126 L128 A142 C143 K148 Q149 N150 A151 V153V65-M146 HydrophobicContact CB-SD 4.46Å; V65-M146 HydrophobicContact CG1-CE 4.38Å; V65-M146 HydrophobicContact CG1-SD 3.99Å; V65-M146 HydrophobicContact CG2-SD 3.77Å; V89-M146 HydrophobicContact CG2-CE 3.85Å; V115-M146 HydrophobicContact CB-CE 4.14Å; V115-M146 HydrophobicContact CG1-CE 3.93Å; V115-M146 HydrophobicContact CG2-CE 4.16Å; V120-M146 HydrophobicContact CG2-SD 3.96Å; V126-M146 HydrophobicContact CG2-CB 4.21Å; V126-M146 HydrophobicContact CG2-CG 4.07Å; L128-M146 HydrophobicContact CD1-CG 4.44Å; A142-M146 WeakPolarHBondContact O-CG 3.36Å; A142-M146 PolarHBondContact O-N 3.32Å; C143-M146 PolarHBondContact O-N 2.96Å; M146-K148 PolarHBondContact O-N 3.07Å; M146-Q149 CarbonylContact O-C 3.58Å; M146-Q149 WeakPolarHBondContact O-CB 3.28Å; M146-Q149 PolarHBondContact O-N 3.33Å; M146-Q149 VanDerWaalsContact O-N 3.15Å; M146-N150 PolarHBondContact O-N 2.8Å; M146-A151 HydrophobicContact CB-CB 4.17Å; M146-A151 VanDerWaalsContact O-CB 3.31Å; M146-A151 WeakPolarHBondContact O-CB 3.44Å; M146-A151 PolarHBondContact O-N 2.93Å; M146-V153 HydrophobicContact CB-CG2 3.62Å; M146-V153 HydrophobicContact CG-CG2 4.46Å
147K96.4Very high96.9Very high89 Ų8932.7 Ų32.739%0.38717%0.167SC..Hα-helixtrans-63.2-38.9174.8-72.4173.1-175.9-179.90112.5C143 E144 L145 Q149 N150 V153 N174C143-K147 WeakPolarHBondContact O-CG 3.34Å; C143-K147 PolarHBondContact O-N 2.86Å; E144-K147 PolarHBondContact O-N 2.76Å; L145-K147 VanDerWaalsContact C-N 3.34Å; L145-K147 PolarHBondContact O-N 3.39Å; K147-Q149 PolarHBondContact O-N 2.85Å; K147-N150 WeakPolarHBondContact O-CA 3.49Å; K147-N150 PolarHBondContact O-N 3.08Å; K147-V153 HydrophobicContact CG-CG2 4.27Å; K147-N174 PolarHBondContact NZ-OD1 3.34Å
148K95.9Very high97.2Very high118 Ų11832 Ų3251%0.51316%0.16SC..Hα-helixtrans-62.1-32.7174-75.8-175179.1-174.50112.5V100 S101 V102 E144 L145 M146 N150V100-K148 HydrophobicContact CG1-CB 4.41Å; V100-K148 HydrophobicContact CG1-CD 4.18Å; S101-K148 PolarHBondContact O-NZ 2.82Å; V102-K148 HydrophobicContact CG2-CD 3.81Å; E144-K148 WeakPolarHBondContact O-CG 3.39Å; E144-K148 PolarHBondContact O-N 3.46Å; L145-K148 WeakPolarHBondContact O-CB 3.47Å; L145-K148 PolarHBondContact O-N 3.19Å; M146-K148 PolarHBondContact O-N 3.07Å; K148-N150 PolarHBondContact O-N 2.67Å
149Q96.7Very high97.5Very high23 Ų2329.8 Ų29.811%0.10715%0.146CC..THydrogen-bonded Turntrans-796.2172.9-66.1-7088.400113V100 V115 Q116 E117 V120 L145 M146 K147 A151V100-Q149 VanDerWaalsContact CG2-OE1 3.25Å; V115-Q149 HydrophobicContact CG1-CG 3.96Å; Q116-Q149 PolarHBondContact O-NE2 2.99Å; E117-Q149 PolarHBondContact O-NE2 3.32Å; V120-Q149 HydrophobicContact CB-CB 4.48Å; L145-Q149 WeakPolarHBondContact O-CG 3.41Å; L145-Q149 PolarHBondContact O-N 3.35Å; L145-Q149 VanDerWaalsContact O-N 3.16Å; M146-Q149 CarbonylContact O-C 3.58Å; M146-Q149 WeakPolarHBondContact O-CB 3.28Å; M146-Q149 PolarHBondContact O-N 3.33Å; M146-Q149 VanDerWaalsContact O-N 3.15Å; K147-Q149 PolarHBondContact O-N 2.85Å; Q149-A151 PolarHBondContact O-N 3.35Å
150N97.3Very high97.6Very high112 Ų11229.5 Ų29.560%0.59915%0.145SC*.THydrogen-bonded Turntrans61.725.3-176.9-54.3-65.6000114.5P122 G123 M146 K147 K148P122-N150 HydrophobicContact CB-CB 4.02Å; G123-N150 PolarHBondContact N-O 3.17Å; M146-N150 PolarHBondContact O-N 2.8Å; K147-N150 WeakPolarHBondContact O-CA 3.49Å; K147-N150 PolarHBondContact O-N 3.08Å; K148-N150 PolarHBondContact O-N 2.67Å
151A98.2Very high97.7Very high10 Ų1028.7 Ų28.78%0.08314%0.138CC..  trans-80.5152.2175.800000112.2V120 V126 M146 Q149 V153V120-A151 HydrophobicContact CG1-CB 3.59Å; V126-A151 HydrophobicContact CG1-CB 4.08Å; V126-A151 HydrophobicContact CG2-CB 4.23Å; M146-A151 HydrophobicContact CB-CB 4.17Å; M146-A151 VanDerWaalsContact O-CB 3.31Å; M146-A151 WeakPolarHBondContact O-CB 3.44Å; M146-A151 PolarHBondContact O-N 2.93Å; Q149-A151 PolarHBondContact O-N 3.35Å; A151-V153 PolarHBondContact O-N 2.91Å
152E98.1Very high97.7Very high95 Ų9529.9 Ų29.944%0.44415%0.145SC..EExtended strand (participates in β ladder)trans-88.6102.5172.4-173-174.2149.800109.6E124 K125 V126 M154E124-E152 PolarHBondContact O-N 2.98Å; K125-E152 WeakPolarHBondContact CE-OE2 3.47Å; K125-E152 HydrophobicContact CG-CB 4.03Å; K125-E152 HydrophobicContact CG-CG 4.38Å; V126-E152 PolarHBondContact N-O 3Å; E152-M154 PolarHBondContact O-N 2.82Å
153V98.3Very high97.7Very high22 Ų2234 Ų3413%0.13316%0.162CC..EExtended strand (participates in β ladder)trans-75.3105.5176.5178.40000109.9V126 L128 C143 M146 K147 A151 N174V126-V153 HydrophobicContact CG2-CG2 4.07Å; L128-V153 HydrophobicContact CD1-CG1 3.59Å; L128-V153 HydrophobicContact CD1-CG2 4.29Å; C143-V153 HydrophobicContact CB-CG1 4.49Å; M146-V153 HydrophobicContact CB-CG2 3.62Å; M146-V153 HydrophobicContact CG-CG2 4.46Å; K147-V153 HydrophobicContact CG-CG2 4.27Å; A151-V153 PolarHBondContact O-N 2.91Å; V153-N174 HydrophobicContact CG1-CB 4.41Å
154M98.1Very high97.6Very high23 Ų2341.1 Ų41.111%0.11320%0.196CC..EExtended strand (participates in β ladder)trans-76.6-26.5-178.5-62-169.375.300113.4H58 Q60 V61 K125 V126 L127 E152H58-M154 HydrophobicContact CB-CE 3.68Å; H58-M154 HydrophobicContact CB-SD 4.26Å; Q60-M154 HydrophobicContact CG-CE 3.61Å; Q60-M154 HydrophobicContact CG-SD 4.35Å; V61-M154 HydrophobicContact CB-SD 4.02Å; V61-M154 HydrophobicContact CG2-SD 4.42Å; K125-M154 HydrophobicContact CB-CG 4.09Å; K125-M154 HydrophobicContact CB-SD 3.76Å; K125-M154 HydrophobicContact CG-SD 4.48Å; V126-M154 PolarHBondContact O-N 2.79Å; L127-M154 HydrophobicContact CD2-CB 3.73Å; L127-M154 HydrophobicContact CG-CB 4.15Å; E152-M154 PolarHBondContact O-N 2.82Å
155G97.9Very high97.4Very high0 Ų040 Ų400%019%0.193CC..EExtended strand (participates in β ladder)trans158.2-179.1-17400000112.8L128L128-G155 PolarHBondContact N-O 3.45Å; L128-G155 VanDerWaalsContact N-O 3.12Å
156C98.6Very high97.3Very high2 Ų245.3 Ų45.31%0.01422%0.221CC..EExtended strand (participates in β ladder)trans-126.7147.8-179.5-68.30000110.7L128 L139 C143 T175 L176 F177L128-C156 CarbonylContact O-C 3.15Å; L128-C156 WeakPolarHBondContact O-CA 3.34Å; L139-C156 HydrophobicContact CD2-CB 3.75Å; L139-C156 HydrophobicContact CG-CB 4.25Å; C143-C156 PolarHBondContact SG-SG 3.37Å; C156-T175 PolarHBondContact N-O 3.4Å; C156-L176 HydrophobicContact CB-CD1 3.75Å; C156-L176 CarbonylContact O-C 3.11Å; C156-L176 WeakPolarHBondContact O-CA 3.44Å; C156-F177 PolarHBondContact O-N 2.82Å
157M98.6Very high97.2Very high1 Ų145.4 Ų45.41%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-130.5135.4177.7-63.7-177-64.200111.1F50 V54 L78 L127 L128 I129 D130 F177F50-M157 HydrophobicContact CD1-CB 4.07Å; F50-M157 HydrophobicContact CD1-CG 4.41Å; F50-M157 HydrophobicContact CD1-SD 3.96Å; F50-M157 HydrophobicContact CE1-CB 3.82Å; V54-M157 HydrophobicContact CG2-CE 3.8Å; V54-M157 HydrophobicContact CG2-SD 3.43Å; V54-M157 WeakPolarHBondContact CG2-SD 3.44Å; L78-M157 HydrophobicContact CD2-CE 3.51Å; L78-M157 HydrophobicContact CD2-SD 4.49Å; L127-M157 HydrophobicContact CB-CE 4.09Å; L127-M157 HydrophobicContact CD1-CE 4.06Å; L127-M157 HydrophobicContact CD1-SD 4.46Å; L128-M157 PolarHBondContact O-N 3.18Å; I129-M157 WeakPolarHBondContact CA-O 3.25Å; I129-M157 HydrophobicContact CG1-CB 4.42Å; D130-M157 PolarHBondContact N-O 3.44Å; D130-M157 VanDerWaalsContact N-O 3.08Å; M157-F177 CarbonylContact C-O 3.54Å; M157-F177 VanDerWaalsContact CA-O 3.3Å; M157-F177 WeakPolarHBondContact CA-O 3.41Å; M157-F177 HydrophobicContact CG-CB 4.28Å; M157-F177 HydrophobicContact CG-CD1 4.36Å
158V98.8Very high97.1Very high0 Ų043.1 Ų43.10%022%0.215CC..EExtended strand (participates in β ladder)trans-138154.8174.6-62.80000111.5D130 L133 L139 I160 E161 L176 F177 S178 L179D130-V158 HydrophobicContact CB-CG1 4.36Å; D130-V158 WeakPolarHBondContact O-CA 3.29Å; L133-V158 HydrophobicContact CB-CG1 4.14Å; L133-V158 HydrophobicContact CB-CG2 3.99Å; L139-V158 HydrophobicContact CD2-CG1 4.19Å; V158-I160 VanDerWaalsContact CG2-O 3.29Å; V158-I160 WeakPolarHBondContact CG2-O 3.21Å; V158-E161 HydrophobicContact CG2-CB 4.48Å; V158-L176 HydrophobicContact CG1-CD1 4.16Å; V158-L176 HydrophobicContact CG2-CD1 3.98Å; V158-L176 HydrophobicContact CG2-CD2 4.2Å; V158-L176 HydrophobicContact CG2-CG 4.37Å; V158-F177 PolarHBondContact N-O 3.27Å; V158-S178 VanDerWaalsContact O-CA 3.31Å; V158-S178 WeakPolarHBondContact O-CA 3.25Å; V158-L179 PolarHBondContact O-N 3.27Å; V158-L179 VanDerWaalsContact O-N 3.17Å
159I98.6Very high97.1Very high0 Ų042.6 Ų42.60%022%0.215CC..EExtended strand (participates in β ladder)trans-74.3-44.8172.4-58.5175.2000108.9V13 I17 I36 V46 F50 F74 D131 L179 V180V13-I159 HydrophobicContact CG1-CG2 4.03Å; I17-I159 HydrophobicContact CD1-CG2 4.41Å; I36-I159 HydrophobicContact CD1-CG2 4.24Å; V46-I159 HydrophobicContact CG1-CD1 3.86Å; V46-I159 HydrophobicContact CG1-CG1 4.01Å; V46-I159 HydrophobicContact CG2-CD1 4.36Å; F50-I159 HydrophobicContact CE2-CG1 3.9Å; F50-I159 HydrophobicContact CZ-CG1 3.89Å; F74-I159 HydrophobicContact CD1-CD1 4.02Å; F74-I159 HydrophobicContact CD2-CD1 3.72Å; F74-I159 HydrophobicContact CE1-CD1 3.63Å; F74-I159 HydrophobicContact CE2-CD1 3.31Å; F74-I159 HydrophobicContact CG-CD1 4.06Å; F74-I159 HydrophobicContact CZ-CD1 3.25Å; D131-I159 WeakPolarHBondContact O-CA 3.49Å; D131-I159 WeakPolarHBondContact O-CB 3.41Å; D131-I159 PolarHBondContact O-N 3.11Å; I159-L179 HydrophobicContact CG1-CD1 4.44Å; I159-L179 HydrophobicContact CG2-CD1 4.42Å; I159-L179 WeakPolarHBondContact O-CB 3.39Å; I159-L179 PolarHBondContact O-N 3.4Å; I159-V180 PolarHBondContact O-N 3.42Å
160I98.6Very high96.9Very high0 Ų047.1 Ų47.10%023%0.234CC..EExtended strand (participates in β ladder)trans-120133.6-173-56.3-176.7000110.4I17 R31 I33 D131 L132 L133 V158 L162 V180 Y182I17-I160 HydrophobicContact CD1-CD1 3.72Å; I17-I160 HydrophobicContact CD1-CG1 3.79Å; I17-I160 HydrophobicContact CG1-CD1 4.05Å; I17-I160 HydrophobicContact CG2-CD1 3.7Å; R31-I160 HydrophobicContact CB-CD1 3.62Å; R31-I160 HydrophobicContact CG-CD1 4.48Å; R31-I160 HydrophobicContact CG-CG2 4.45Å; I33-I160 HydrophobicContact CG2-CD1 3.62Å; I33-I160 HydrophobicContact CG2-CG1 4.37Å; D131-I160 PolarHBondContact O-N 2.9Å; L132-I160 CarbonylContact C-O 3.49Å; L132-I160 VanDerWaalsContact CA-O 3.25Å; L132-I160 WeakPolarHBondContact CA-O 3.31Å; L132-I160 HydrophobicContact CB-CB 4.19Å; L132-I160 HydrophobicContact CD1-CB 3.85Å; L132-I160 HydrophobicContact CD1-CD1 4.32Å; L132-I160 HydrophobicContact CD1-CG2 3.66Å; L132-I160 HydrophobicContact CG-CB 3.94Å; L132-I160 HydrophobicContact CG-CG2 4.03Å; L133-I160 PolarHBondContact N-O 3.11Å; V158-I160 VanDerWaalsContact CG2-O 3.29Å; V158-I160 WeakPolarHBondContact CG2-O 3.21Å; I160-L162 HydrophobicContact CG2-CD2 4.15Å; I160-V180 CarbonylContact C-O 3.57Å; I160-V180 WeakPolarHBondContact CA-O 3.49Å; I160-Y182 HydrophobicContact CG2-CD2 3.64Å; I160-Y182 HydrophobicContact CG2-CE2 3.92Å
161E98.2Very high96.7Very high8 Ų841.8 Ų41.84%0.03721%0.205CC..EExtended strand (participates in β ladder)trans-118.8128.9167.8179-174.7175.500109.9L133 V158 K163 V168 L176 S178 V180 Q181 Y182L133-E161 HydrophobicContact CD2-CG 4.39Å; V158-E161 HydrophobicContact CG2-CB 4.48Å; E161-K163 VanDerWaalsContact CD-CE 3.45Å; E161-K163 HydrophobicContact CG-CD 4.31Å; E161-K163 VanDerWaalsContact OE1-CD 3.3Å; E161-K163 WeakPolarHBondContact OE1-CD 3.46Å; E161-K163 VanDerWaalsContact OE1-CE 3.28Å; E161-K163 WeakPolarHBondContact OE1-CE 3.42Å; E161-K163 IonicContact OE1-NZ 2.97Å; E161-K163 PolarHBondContact OE1-NZ 2.96Å; E161-K163 WeakPolarHBondContact OE2-CE 3.28Å; E161-K163 IonicContact OE2-NZ 2.88Å; E161-K163 PolarHBondContact OE2-NZ 2.89Å; E161-V168 WeakPolarHBondContact OE1-CG2 3.3Å; E161-L176 HydrophobicContact CB-CD2 4.47Å; E161-L176 HydrophobicContact CG-CD2 4.11Å; E161-S178 PolarHBondContact OE2-OG 3.44Å; E161-V180 PolarHBondContact N-O 2.89Å; E161-Q181 HydrophobicContact CB-CG 4.3Å; E161-Q181 WeakPolarHBondContact O-CA 3.4Å; E161-Q181 PolarHBondContact OE2-NE2 3.04Å; E161-Y182 PolarHBondContact O-N 2.77Å
162L97.1Very high96.4Very high27 Ų2747.2 Ų47.214%0.14123%0.227CC..  trans-94.595.7172.2-56.2-178000109R31 L132 L133 A134 I160 E164 L165 Y182R31-L162 HydrophobicContact CG-CD2 4.3Å; L132-L162 HydrophobicContact CD1-CD1 4.42Å; L132-L162 HydrophobicContact CD1-CG 4.37Å; L132-L162 HydrophobicContact CD2-CD1 4.03Å; L132-L162 HydrophobicContact CD2-CG 4.22Å; L133-L162 PolarHBondContact O-N 3.4Å; A134-L162 HydrophobicContact CB-CD1 4.26Å; I160-L162 HydrophobicContact CG2-CD2 4.15Å; L162-E164 VanDerWaalsContact C-N 3.3Å; L162-E164 PolarHBondContact O-N 3.13Å; L162-L165 HydrophobicContact CB-CD1 4.03Å; L162-L165 HydrophobicContact CB-CG 4.21Å; L162-L165 HydrophobicContact CD1-CD1 3.83Å; L162-L165 PolarHBondContact O-N 3.36Å; L162-Y182 CarbonylContact C-O 3.58Å
163K96.9Very high96.2Very high86 Ų8648 Ų4837%0.37424%0.241SC..G310 helixtrans-60.5-38.3-173.2-72.9-70.2-174.6-166.50112.6E161 L165 N166 Q181 Y182E161-K163 VanDerWaalsContact CD-CE 3.45Å; E161-K163 HydrophobicContact CG-CD 4.31Å; E161-K163 VanDerWaalsContact OE1-CD 3.3Å; E161-K163 WeakPolarHBondContact OE1-CD 3.46Å; E161-K163 VanDerWaalsContact OE1-CE 3.28Å; E161-K163 WeakPolarHBondContact OE1-CE 3.42Å; E161-K163 IonicContact OE1-NZ 2.97Å; E161-K163 PolarHBondContact OE1-NZ 2.96Å; E161-K163 WeakPolarHBondContact OE2-CE 3.28Å; E161-K163 IonicContact OE2-NZ 2.88Å; E161-K163 PolarHBondContact OE2-NZ 2.89Å; K163-L165 PolarHBondContact O-N 2.73Å; K163-L165 VanDerWaalsContact O-N 3.08Å; K163-N166 PolarHBondContact O-N 2.95Å; K163-Q181 HydrophobicContact CG-CB 4.25Å; K163-Y182 WeakPolarHBondContact CB-O 3.38Å; K163-Y182 PolarHBondContact N-O 2.71Å
164E94.9Very high96Very high151 Ų15148 Ų4871%0.70624%0.24SC*.G310 helixtrans-58.9-22.9-179.865.9-177179.500113.7L162 N166L162-E164 VanDerWaalsContact C-N 3.3Å; L162-E164 PolarHBondContact O-N 3.13Å; E164-N166 PolarHBondContact O-ND2 3.27Å
165L94Very high95.9Very high74 Ų7450.8 Ų50.839%0.38726%0.258SS..G310 helixtrans-89.9-2.9-179.5-59.5-177.1000113.8A134 T135 L162 K163 G167A134-L165 HydrophobicContact CB-CD1 3.69Å; T135-L165 HydrophobicContact CG2-CD1 4.35Å; L162-L165 HydrophobicContact CB-CD1 4.03Å; L162-L165 HydrophobicContact CB-CG 4.21Å; L162-L165 HydrophobicContact CD1-CD1 3.83Å; L162-L165 PolarHBondContact O-N 3.36Å; K163-L165 PolarHBondContact O-N 2.73Å; K163-L165 VanDerWaalsContact O-N 3.08Å; L165-G167 PolarHBondContact O-N 2.99Å
166N94.9Very high95.9Very high110 Ų11052.5 Ų52.559%0.58827%0.267SS*.THydrogen-bonded Turntrans50.533.2176.9-61.4-67.9000114.2K163 E164 V168 E169K163-N166 PolarHBondContact O-N 2.95Å; E164-N166 PolarHBondContact O-ND2 3.27Å; N166-V168 PolarHBondContact O-N 2.81Å; N166-E169 HydrophobicContact CB-CG 4.45Å; N166-E169 WeakPolarHBondContact O-CB 3.4Å; N166-E169 PolarHBondContact O-N 3.19Å; N166-E169 VanDerWaalsContact O-N 3.15Å
167G94.6Very high95.9Very high2 Ų253.9 Ų53.92%0.02127%0.273CS..Hα-helixtrans-60.2-30.1-174.900000114.3A134 L165 E169 K170A134-G167 VanDerWaalsContact O-CA 3.31Å; A134-G167 WeakPolarHBondContact O-CA 3.13Å; L165-G167 PolarHBondContact O-N 2.99Å; G167-E169 PolarHBondContact O-N 2.66Å; G167-K170 PolarHBondContact O-N 2.75Å
168V95.4Very high95.9Very high42 Ų4254.4 Ų54.426%0.25528%0.277SS..Hα-helixtrans-58.5-34.6178.2175.90000111.9L133 E161 N166 K170 L171 K172 L176L133-V168 HydrophobicContact CD2-CG2 3.95Å; E161-V168 WeakPolarHBondContact OE1-CG2 3.3Å; N166-V168 PolarHBondContact O-N 2.81Å; V168-K170 PolarHBondContact O-N 3.19Å; V168-L171 WeakPolarHBondContact O-CB 3.34Å; V168-L171 PolarHBondContact O-N 3.34Å; V168-K172 PolarHBondContact O-N 3.07Å; V168-L176 HydrophobicContact CG2-CB 4.35Å; V168-L176 HydrophobicContact CG2-CD2 3.73Å
169E95.1Very high95.9Very high107 Ų10755.1 Ų55.150%0.528%0.281SS..Hα-helixtrans-62.6-33.3-178.6-65.7-57.9126.500111.9N166 G167 L171 K172N166-E169 HydrophobicContact CB-CG 4.45Å; N166-E169 WeakPolarHBondContact O-CB 3.4Å; N166-E169 PolarHBondContact O-N 3.19Å; N166-E169 VanDerWaalsContact O-N 3.15Å; G167-E169 PolarHBondContact O-N 2.66Å; E169-L171 VanDerWaalsContact C-N 3.31Å; E169-K172 WeakPolarHBondContact OE1-CE 3.4Å; E169-K172 IonicContact OE1-NZ 2.76Å; E169-K172 PolarHBondContact OE1-NZ 3.15Å; E169-K172 WeakPolarHBondContact OE2-CE 3.31Å; E169-K172 IonicContact OE2-NZ 2.68Å; E169-K172 PolarHBondContact OE2-NZ 2.87Å
170K92.6Very high95.9Very high117 Ų11755.8 Ų55.851%0.50929%0.285SS..Hα-helixtrans-76.2-17.7175.3-63.4-163.5-165159.70113.9T135 C140 G167 V168T135-K170 WeakPolarHBondContact O-CD 3.26Å; T135-K170 VanDerWaalsContact O-CE 3.31Å; T135-K170 WeakPolarHBondContact O-CE 3.14Å; T135-K170 PolarHBondContact O-NZ 3.27Å; T135-K170 VanDerWaalsContact O-NZ 3.11Å; C140-K170 PolarHBondContact SG-O 3.25Å; G167-K170 PolarHBondContact O-N 2.75Å; V168-K170 PolarHBondContact O-N 3.19Å
171L93.6Very high95.8Very high1 Ų161.1 Ų61.11%0.00531%0.309CS..Hα-helixtrans-83.3-19.3179.7-65176.8000112.3L133 L139 C140 V168 E169 N174 L176L133-L171 HydrophobicContact CD1-CD1 4.01Å; L133-L171 HydrophobicContact CD2-CD1 3.84Å; L139-L171 HydrophobicContact CB-CD2 3.99Å; L139-L171 HydrophobicContact CD2-CD1 3.99Å; L139-L171 HydrophobicContact CD2-CD2 4.19Å; L139-L171 HydrophobicContact CG-CD2 4.02Å; C140-L171 HydrophobicContact CB-CD2 4.24Å; V168-L171 WeakPolarHBondContact O-CB 3.34Å; V168-L171 PolarHBondContact O-N 3.34Å; E169-L171 VanDerWaalsContact C-N 3.31Å; L171-N174 WeakPolarHBondContact O-CA 3.49Å; L171-N174 VanDerWaalsContact O-CB 3.25Å; L171-N174 WeakPolarHBondContact O-CB 3.47Å; L171-N174 PolarHBondContact O-N 3.29Å; L171-N174 PolarHBondContact O-ND2 2.84Å; L171-L176 HydrophobicContact CD1-CB 4.2Å; L171-L176 HydrophobicContact CD1-CD1 3.91Å
172K92.7Very high95.6Very high123 Ų12365 Ų6554%0.53532%0.324SS..THydrogen-bonded Turntrans-54.4135.9179.7-70.7-179.1-178.2167.60110.7V168 E169V168-K172 PolarHBondContact O-N 3.07Å; E169-K172 WeakPolarHBondContact OE1-CE 3.4Å; E169-K172 IonicContact OE1-NZ 2.76Å; E169-K172 PolarHBondContact OE1-NZ 3.15Å; E169-K172 WeakPolarHBondContact OE2-CE 3.31Å; E169-K172 IonicContact OE2-NZ 2.68Å; E169-K172 PolarHBondContact OE2-NZ 2.87Å
173P93.2Very high95.5Very high113 Ų11366.9 Ų66.973%0.73433%0.333SS*.THydrogen-bonded Turncis-84.40.410.734.9-37.7000115.4
174N94Very high95.5Very high20 Ų2065.8 Ų65.811%0.10733%0.331CS..SBendtrans-72.1147.9-178.3-40.2-65.7000110.8K147 V153 L171K147-N174 PolarHBondContact NZ-OD1 3.34Å; V153-N174 HydrophobicContact CG1-CB 4.41Å; L171-N174 WeakPolarHBondContact O-CA 3.49Å; L171-N174 VanDerWaalsContact O-CB 3.25Å; L171-N174 WeakPolarHBondContact O-CB 3.47Å; L171-N174 PolarHBondContact O-N 3.29Å; L171-N174 PolarHBondContact O-ND2 2.84Å
175T95.6Very high95.5Very high83 Ų8361.1 Ų61.151%0.50931%0.311SS..  trans-87.7158.6177.9550000111.9C156C156-T175 PolarHBondContact N-O 3.4Å
176L98.1Very high95.6Very high35 Ų3560.4 Ų60.418%0.18331%0.306CS..EExtended strand (participates in β ladder)trans-123.6135.4172.3-176.681.7000110.1L133 L139 C156 V158 E161 V168 L171L133-L176 HydrophobicContact CB-CD2 4.39Å; L133-L176 HydrophobicContact CD2-CD1 4.1Å; L133-L176 HydrophobicContact CD2-CD2 3.31Å; L133-L176 HydrophobicContact CD2-CG 4.25Å; L133-L176 HydrophobicContact CG-CD2 4.46Å; L139-L176 HydrophobicContact CD2-CD1 4.17Å; C156-L176 HydrophobicContact CB-CD1 3.75Å; C156-L176 CarbonylContact O-C 3.11Å; C156-L176 WeakPolarHBondContact O-CA 3.44Å; V158-L176 HydrophobicContact CG1-CD1 4.16Å; V158-L176 HydrophobicContact CG2-CD1 3.98Å; V158-L176 HydrophobicContact CG2-CD2 4.2Å; V158-L176 HydrophobicContact CG2-CG 4.37Å; E161-L176 HydrophobicContact CB-CD2 4.47Å; E161-L176 HydrophobicContact CG-CD2 4.11Å; V168-L176 HydrophobicContact CG2-CB 4.35Å; V168-L176 HydrophobicContact CG2-CD2 3.73Å; L171-L176 HydrophobicContact CD1-CB 4.2Å; L171-L176 HydrophobicContact CD1-CD1 3.91Å
177F98.5Very high95.6Very high31 Ų3157.3 Ų57.314%0.13629%0.288CS..EExtended strand (participates in β ladder)trans-110.5126.9161.9177.1-109.3000110.3F50 H53 C156 M157 V158 L179F50-F177 AromaticContact CD1-CD1 3.97Å; F50-F177 HydrophobicContact CD1-CD1 3.97Å; F50-F177 AromaticContact CD1-CE1 3.9Å; F50-F177 HydrophobicContact CD1-CE1 3.9Å; F50-F177 HydrophobicContact CE1-CD1 4.08Å; F50-F177 HydrophobicContact CE1-CE1 4.19Å; H53-F177 HydrophobicContact CB-CD1 4.04Å; H53-F177 HydrophobicContact CB-CE1 3.59Å; H53-F177 HydrophobicContact CB-CE2 4.32Å; H53-F177 HydrophobicContact CB-CZ 3.76Å; H53-F177 AromaticContact CD2-CD1 3.46Å; H53-F177 VanDerWaalsContact CD2-CD1 3.46Å; H53-F177 WeakPolarHBondContact CD2-CD1 3.16Å; H53-F177 AromaticContact CD2-CE1 3.97Å; H53-F177 AromaticContact CD2-CG 3.5Å; H53-F177 VanDerWaalsContact CD2-CG 3.5Å; H53-F177 WeakPolarHBondContact CD2-CG 3.41Å; H53-F177 AromaticContact CE1-CD2 3.48Å; H53-F177 VanDerWaalsContact CE1-CD2 3.48Å; H53-F177 WeakPolarHBondContact CE1-CD2 3.49Å; H53-F177 AromaticContact CE1-CG 3.62Å; H53-F177 AromaticContact CG-CD1 3.59Å; H53-F177 AromaticContact CG-CD2 3.85Å; H53-F177 AromaticContact CG-CE1 3.62Å; H53-F177 AromaticContact CG-CE2 3.88Å; H53-F177 AromaticContact CG-CG 3.7Å; H53-F177 AromaticContact CG-CZ 3.77Å; H53-F177 AromaticContact ND1-CD2 3.5Å; H53-F177 WeakPolarHBondContact ND1-CD2 3.2Å; H53-F177 AromaticContact ND1-CE2 3.58Å; H53-F177 AromaticContact ND1-CG 3.79Å; H53-F177 AromaticContact ND1-CZ 3.93Å; H53-F177 WeakPolarHBondContact NE2-CB 3.3Å; H53-F177 AromaticContact NE2-CD1 3.95Å; H53-F177 AromaticContact NE2-CD2 3.83Å; H53-F177 AromaticContact NE2-CG 3.46Å; H53-F177 WeakPolarHBondContact NE2-CG 3Å; C156-F177 PolarHBondContact O-N 2.82Å; M157-F177 CarbonylContact C-O 3.54Å; M157-F177 VanDerWaalsContact CA-O 3.3Å; M157-F177 WeakPolarHBondContact CA-O 3.41Å; M157-F177 HydrophobicContact CG-CB 4.28Å; M157-F177 HydrophobicContact CG-CD1 4.36Å; V158-F177 PolarHBondContact N-O 3.27Å; F177-L179 HydrophobicContact CE1-CD2 3.55Å; F177-L179 HydrophobicContact CZ-CD2 3.89Å
178S98.5Very high95.7Very high13 Ų1360.9 Ų60.99%0.09131%0.306CS..EExtended strand (participates in β ladder)trans-121.2140.3177.254.60000111V158 E161 Q181V158-S178 VanDerWaalsContact O-CA 3.31Å; V158-S178 WeakPolarHBondContact O-CA 3.25Å; E161-S178 PolarHBondContact OE2-OG 3.44Å; S178-Q181 WeakPolarHBondContact OG-CG 3.38Å; S178-Q181 PolarHBondContact OG-NE2 3.08Å; S178-Q181 VanDerWaalsContact OG-NE2 3.08Å
179L98.4Very high95.7Very high15 Ų1562.3 Ų62.38%0.07931%0.31CS..EExtended strand (participates in β ladder)trans-77.4-45176.4-60.1-175.4000111.4L10 V46 L49 F50 V158 I159 F177L10-L179 HydrophobicContact CD2-CB 4.15Å; L10-L179 VanDerWaalsContact CD2-O 3.28Å; L10-L179 WeakPolarHBondContact CD2-O 3.13Å; V46-L179 HydrophobicContact CB-CD1 4.32Å; V46-L179 HydrophobicContact CG1-CD1 3.97Å; V46-L179 HydrophobicContact CG2-CD1 4.26Å; L49-L179 HydrophobicContact CB-CD1 4.37Å; L49-L179 HydrophobicContact CB-CD2 3.67Å; L49-L179 HydrophobicContact CD1-CD1 4.28Å; L49-L179 HydrophobicContact CD1-CD2 4.2Å; F50-L179 HydrophobicContact CD1-CD2 4.12Å; F50-L179 HydrophobicContact CD1-CG 4.37Å; F50-L179 HydrophobicContact CD2-CD1 4.44Å; F50-L179 HydrophobicContact CE1-CD1 4.07Å; F50-L179 HydrophobicContact CE1-CD2 3.92Å; F50-L179 HydrophobicContact CE1-CG 3.73Å; F50-L179 HydrophobicContact CE2-CD1 3.98Å; F50-L179 HydrophobicContact CZ-CD1 3.76Å; F50-L179 HydrophobicContact CZ-CD2 4.45Å; F50-L179 HydrophobicContact CZ-CG 3.82Å; V158-L179 PolarHBondContact O-N 3.27Å; V158-L179 VanDerWaalsContact O-N 3.17Å; I159-L179 HydrophobicContact CG1-CD1 4.44Å; I159-L179 HydrophobicContact CG2-CD1 4.42Å; I159-L179 WeakPolarHBondContact O-CB 3.39Å; I159-L179 PolarHBondContact O-N 3.4Å; F177-L179 HydrophobicContact CE1-CD2 3.55Å; F177-L179 HydrophobicContact CZ-CD2 3.89Å
180V98.1Very high95.8Very high13 Ų1358.8 Ų58.88%0.07930%0.295CS..EExtended strand (participates in β ladder)trans-129.8138.7-177-173.40000109.5V13 T14 I17 I159 I160 E161 Y182V13-V180 HydrophobicContact CG1-CG2 4.09Å; T14-V180 HydrophobicContact CG2-CG1 4.37Å; T14-V180 WeakPolarHBondContact OG1-CG2 3.27Å; I17-V180 HydrophobicContact CD1-CB 4.13Å; I17-V180 HydrophobicContact CD1-CG1 4.3Å; I17-V180 HydrophobicContact CD1-CG2 3.92Å; I159-V180 PolarHBondContact O-N 3.42Å; I160-V180 CarbonylContact C-O 3.57Å; I160-V180 WeakPolarHBondContact CA-O 3.49Å; E161-V180 PolarHBondContact N-O 2.89Å; V180-Y182 HydrophobicContact CG1-CD2 4.32Å; V180-Y182 HydrophobicContact CG1-CE2 3.68Å
181Q97.6Very high96Very high112 Ų11254 Ų5452%0.52328%0.277SS..EExtended strand (participates in β ladder)trans-119.8132-179.2-62.9176.5-2.500109.4E161 K163 S178E161-Q181 HydrophobicContact CB-CG 4.3Å; E161-Q181 WeakPolarHBondContact O-CA 3.4Å; E161-Q181 PolarHBondContact OE2-NE2 3.04Å; K163-Q181 HydrophobicContact CG-CB 4.25Å; S178-Q181 WeakPolarHBondContact OG-CG 3.38Å; S178-Q181 PolarHBondContact OG-NE2 3.08Å; S178-Q181 VanDerWaalsContact OG-NE2 3.08Å
182Y94.1Very high96.3Very high89 Ų8958.8 Ų58.835%0.34930%0.302SS..  trans-119.20172.5-65.9-81000110.9I17 R31 I160 E161 L162 K163 V180I17-Y182 HydrophobicContact CD1-CE2 4.41Å; I17-Y182 HydrophobicContact CG2-CE2 4.25Å; I17-Y182 WeakPolarHBondContact CG2-OH 3.34Å; R31-Y182 HydrophobicContact CG-CD2 4.28Å; R31-Y182 HydrophobicContact CG-CE2 4.32Å; R31-Y182 VanDerWaalsContact CZ-CD1 3.4Å; R31-Y182 VanDerWaalsContact NH2-CD1 3.34Å; I160-Y182 HydrophobicContact CG2-CD2 3.64Å; I160-Y182 HydrophobicContact CG2-CE2 3.92Å; E161-Y182 PolarHBondContact O-N 2.77Å; L162-Y182 CarbonylContact C-O 3.58Å; K163-Y182 WeakPolarHBondContact CB-O 3.38Å; K163-Y182 PolarHBondContact N-O 2.71Å; V180-Y182 HydrophobicContact CG1-CD2 4.32Å; V180-Y182 HydrophobicContact CG1-CE2 3.68Å

Retrieved 182 of 182 residues in 895.9 ms (Link to these results)

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