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Zinc finger protein RFP

E3 ubiquitin-protein ligase that mediates ubiquitination of various substrates and thereby plays a role in diffent processes including proliferation, innate immunity, apoptosis, immune response or autophagy1. Ubiquitinates PIK3C2B and inhibits its activity by mediating the formation of 'Lys-48'-linked polyubiquitin chains; the function inhibits CD4 T-cell activation (By similarity). Acts as a regulator of retrograde transport: together with MAGEL2, mediates the formation of 'Lys-63'-linked polyubiquitin chains at 'Lys-220' of WASHC1, leading to promote endosomal F-actin assembly (By similarity). Has a transcriptional repressor activity by cooperating with EPC1 (By similarity). Induces apoptosis by activating Jun N-terminal kinase and p38 kinase and also increases caspase-3-like activity independently of mitochondrial events (By similarity). May function in male germ cell development (By similarity). Has DNA-binding activity and preferentially bound to double-stranded DNA (By similarity). Forms a complex with and ubiquitinates the ubiquitin-specific protease USP7, which in turn deubiquitinates RIPK1 resulting in the positive regulation of TNF-induced apoptosis2. In addition, acts with USP7 or PTPN11 as an inhibitor of the antiviral signaling pathway by promoting kinase TBK1 ubiquitination and degradation (By similarity). Acts as a negative regulator of NOD2 signaling by mediating ubiquitination of NOD2, promoting its degradation by the proteasome (By similarity). Alternatively, facilitates mitophagy via TBK1 activation (By similarity). Negatively regulates autophagy flux under basal conditions by directly polyubiquitinating ULK1 (By similarity). During starvation-induced autophagy, catalyzes non-degradative ubiquitination of the kinase STK38L promoting its activation and phosphorylation of ULK1 leading to its ubiquitination and degradation to restrain the amplitude and duration of autophagy (By similarity).

AlphaFold DB , UniProt , Accession Q62158, Species MOUSE (Mus musculus, Mouse), Gene Trim27, Length 513 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
1M33.9Very low67.8Low247 Ų24796.9 Ų96.9100%1.21760%0.601SS**  088.50-65.6-70.8-129.300108
2A48Very low69.3Low105 Ų105100.6 Ų100.687%0.86861%0.606SS**  trans-99.9104.2168.300000106.3G4A2-G4 VanDerWaalsContact C-N 3.34Å; A2-G4 PolarHBondContact O-N 3.48Å
3S48.5Very low70.9Confident124 Ų124103.6 Ų103.687%0.86761%0.61SS**  trans-73.885.3-179.653.90000109.7
4G55.9Low72.4Confident39 Ų3996.4 Ų96.440%0.40257%0.567SS.*  trans-65.7151.3166.800000110.7A2A2-G4 VanDerWaalsContact C-N 3.34Å; A2-G4 PolarHBondContact O-N 3.48Å
5S75.5Confident73.8Confident60 Ų6091.9 Ų91.942%0.4254%0.541SS..  trans-63.6148.8174.268.10000110.2A7 E8 C9S5-A7 PolarHBondContact O-N 3.34Å; S5-E8 PolarHBondContact N-OE2 3.07Å; S5-E8 PolarHBondContact O-N 3.48Å; S5-E8 VanDerWaalsContact OG-CD 3.26Å; S5-E8 VanDerWaalsContact OG-CG 3.31Å; S5-E8 WeakPolarHBondContact OG-CG 3.42Å; S5-E8 PolarHBondContact OG-N 3.28Å; S5-E8 PolarHBondContact OG-OE2 2.92Å; S5-C9 PolarHBondContact O-N 3.17Å; S5-C9 VanDerWaalsContact O-N 3.12Å
6V78.6Confident75.1Confident129 Ų12986.1 Ų86.178%0.78251%0.507SS*.Hα-helixtrans-52.5-34.2179.3177.40000111.8L10V6-L10 WeakPolarHBondContact O-CB 3.22Å; V6-L10 PolarHBondContact O-N 2.81Å
7A76.6Confident76.1Confident56 Ų5684.1 Ų84.146%0.46350%0.497SS..Hα-helixtrans-70.3-33.5178.800000114S5 Q11S5-A7 PolarHBondContact O-N 3.34Å; A7-Q11 PolarHBondContact O-N 2.87Å; A7-Q11 VanDerWaalsContact O-N 3.16Å
8E76.9Confident77Confident103 Ų10381.5 Ų81.548%0.48148%0.482SS..Hα-helixtrans-73.1-41.7174.8-72.9162.8152.700110.8S5 L10 Q11 Q12S5-E8 PolarHBondContact N-OE2 3.07Å; S5-E8 PolarHBondContact O-N 3.48Å; S5-E8 VanDerWaalsContact OG-CD 3.26Å; S5-E8 VanDerWaalsContact OG-CG 3.31Å; S5-E8 WeakPolarHBondContact OG-CG 3.42Å; S5-E8 PolarHBondContact OG-N 3.28Å; S5-E8 PolarHBondContact OG-OE2 2.92Å; E8-L10 VanDerWaalsContact C-N 3.34Å; E8-L10 PolarHBondContact O-N 3.01Å; E8-Q11 PolarHBondContact O-N 3.38Å; E8-Q12 WeakPolarHBondContact O-CG 3.07Å; E8-Q12 PolarHBondContact O-N 3.28Å; E8-Q12 VanDerWaalsContact O-N 3.1Å
9C83.2Confident77.9Confident58 Ų5879.6 Ų79.639%0.39247%0.473SS..Hα-helixtrans-59-46.1173.7-64.10000110.9S5 Q11 Q12 E13S5-C9 PolarHBondContact O-N 3.17Å; S5-C9 VanDerWaalsContact O-N 3.12Å; C9-Q11 VanDerWaalsContact C-N 3.3Å; C9-Q11 PolarHBondContact O-N 3.34Å; C9-Q12 PolarHBondContact O-N 3.46Å; C9-E13 WeakPolarHBondContact O-CG 3.47Å; C9-E13 PolarHBondContact O-N 2.87Å
10L84.7Confident78.5Confident76 Ų7682.1 Ų82.140%0.39848%0.483SS..Hα-helixtrans-64.7-32.9178.9-170.964.5000113.2V6 E8 E13 T14 V78V6-L10 WeakPolarHBondContact O-CB 3.22Å; V6-L10 PolarHBondContact O-N 2.81Å; E8-L10 VanDerWaalsContact C-N 3.34Å; E8-L10 PolarHBondContact O-N 3.01Å; L10-E13 PolarHBondContact O-N 3.04Å; L10-T14 PolarHBondContact O-N 2.86Å; L10-T14 PolarHBondContact O-OG1 3.48Å; L10-V78 HydrophobicContact CD1-CG2 4.39Å; L10-V78 HydrophobicContact CD2-CG2 3.66Å; L10-V78 HydrophobicContact CG-CG2 3.84Å
11Q84.1Confident79.1Confident69 Ų6984.4 Ų84.432%0.32249%0.489SS..Hα-helixtrans-66.6-42.3175.2-176.6177.6-6.200111.1A7 E8 C9 E13 T14 T15 Y22A7-Q11 PolarHBondContact O-N 2.87Å; A7-Q11 VanDerWaalsContact O-N 3.16Å; E8-Q11 PolarHBondContact O-N 3.38Å; C9-Q11 VanDerWaalsContact C-N 3.3Å; C9-Q11 PolarHBondContact O-N 3.34Å; Q11-E13 VanDerWaalsContact C-N 3.29Å; Q11-E13 PolarHBondContact O-N 3.3Å; Q11-T14 PolarHBondContact O-N 3.22Å; Q11-T14 VanDerWaalsContact O-N 3.17Å; Q11-T14 PolarHBondContact O-OG1 2.93Å; Q11-T15 WeakPolarHBondContact O-CB 3.44Å; Q11-T15 PolarHBondContact O-N 3.12Å; Q11-T15 PolarHBondContact O-OG1 3.25Å; Q11-Y22 HydrophobicContact CG-CE1 4.36Å
12Q86.1Confident81.9Confident141 Ų14174.7 Ų74.766%0.65944%0.439SS*.Hα-helixtrans-60.2-41.2177-69.9175.54.200111.4E8 C9 T14 T15E8-Q12 WeakPolarHBondContact O-CG 3.07Å; E8-Q12 PolarHBondContact O-N 3.28Å; E8-Q12 VanDerWaalsContact O-N 3.1Å; C9-Q12 PolarHBondContact O-N 3.46Å; Q12-T14 PolarHBondContact O-N 3.41Å; Q12-T15 PolarHBondContact O-N 3.43Å
13E90.3Very high84Confident140 Ų14070.3 Ų70.365%0.65440%0.4SS*.Hα-helixtrans-67.5-20.3178.1-63.5-55.514700114.3C9 L10 Q11C9-E13 WeakPolarHBondContact O-CG 3.47Å; C9-E13 PolarHBondContact O-N 2.87Å; L10-E13 PolarHBondContact O-N 3.04Å; Q11-E13 VanDerWaalsContact C-N 3.29Å; Q11-E13 PolarHBondContact O-N 3.3Å
14T91.4Very high86Confident2 Ų268.8 Ų68.81%0.01239%0.386CS..THydrogen-bonded Turntrans-106.18.5179.9510000113.3L10 Q11 Q12 Y22 F23 L71 V74 V78L10-T14 PolarHBondContact O-N 2.86Å; L10-T14 PolarHBondContact O-OG1 3.48Å; Q11-T14 PolarHBondContact O-N 3.22Å; Q11-T14 VanDerWaalsContact O-N 3.17Å; Q11-T14 PolarHBondContact O-OG1 2.93Å; Q12-T14 PolarHBondContact O-N 3.41Å; T14-Y22 WeakPolarHBondContact O-CA 3.2Å; T14-Y22 WeakPolarHBondContact OG1-CE1 3.41Å; T14-F23 VanDerWaalsContact C-CD2 3.42Å; T14-F23 WeakPolarHBondContact O-CD2 3.47Å; T14-F23 PolarHBondContact O-N 3.01Å; T14-F23 VanDerWaalsContact O-N 3.11Å; T14-L71 HydrophobicContact CG2-CD1 4.45Å; T14-V74 HydrophobicContact CG2-CG1 4.01Å; T14-V78 HydrophobicContact CG2-CB 4.47Å; T14-V78 HydrophobicContact CG2-CG2 4.07Å
15T93.1Very high87.7Confident29 Ų2973.8 Ų73.818%0.17840%0.399CS..BIsolated β-bridgetrans-107.7134.1-177.3-61.40000111.3Q11 Q12 L20 F23Q11-T15 WeakPolarHBondContact O-CB 3.44Å; Q11-T15 PolarHBondContact O-N 3.12Å; Q11-T15 PolarHBondContact O-OG1 3.25Å; Q12-T15 PolarHBondContact O-N 3.43Å; T15-L20 VanDerWaalsContact CG2-C 3.42Å; T15-F23 WeakPolarHBondContact O-CE2 3.46Å; T15-F23 WeakPolarHBondContact O-CZ 3.48Å
16C94.4Very high88.6Confident0 Ų071 Ų710%038%0.38CS..  trans-72.6129.7176.2178.30000111.1V18 C19 L20 Q21 F23 C36C16-V18 PolarHBondContact O-N 3.3Å; C16-V18 VanDerWaalsContact O-N 3.11Å; C16-C19 VanDerWaalsContact CB-SG 3.57Å; C16-L20 VanDerWaalsContact O-CA 3.24Å; C16-L20 WeakPolarHBondContact O-CA 3.37Å; C16-L20 PolarHBondContact O-N 2.95Å; C16-Q21 PolarHBondContact N-O 3.28Å; C16-F23 HydrophobicContact CB-CD1 3.69Å; C16-F23 HydrophobicContact CB-CE1 3.51Å; C16-F23 HydrophobicContact CB-CG 4.5Å; C16-F23 HydrophobicContact CB-CZ 4.21Å; C16-C36 VanDerWaalsContact CB-SG 3.57Å
17P92.4Very high89.4Confident51 Ų5166 Ų6633%0.33135%0.347SS..THydrogen-bonded Turntrans-67.2-14.3-178.329.6-38.9000113.7I35 Q55P17-I35 HydrophobicContact CG-CG1 4.14Å; P17-Q55 HydrophobicContact CB-CB 4.5Å; P17-Q55 HydrophobicContact CB-CG 4.43Å; P17-Q55 HydrophobicContact CG-CB 4.25Å
18V92.4Very high90.3Very high38 Ų3866.8 Ų66.823%0.2334%0.343CS..THydrogen-bonded Turntrans-95.1-48.3-176.4179.40000112.5C16 I35 C39 P54C16-V18 PolarHBondContact O-N 3.3Å; C16-V18 VanDerWaalsContact O-N 3.11Å; V18-I35 HydrophobicContact CB-CG2 4.43Å; V18-I35 HydrophobicContact CG2-CD1 4.38Å; V18-I35 HydrophobicContact CG2-CG2 3.78Å; V18-C39 HydrophobicContact CB-CB 3.97Å; V18-C39 HydrophobicContact CG1-CB 3.94Å; V18-P54 HydrophobicContact CG2-CB 3.73Å; V18-P54 HydrophobicContact CG2-CG 4.25Å
19C93.4Very high91.1Very high45 Ų4562.1 Ų62.130%0.30432%0.321SS..THydrogen-bonded Turntrans-96.1-10.2179.462.90000113.5C16 Q21C16-C19 VanDerWaalsContact CB-SG 3.57Å; C19-Q21 PolarHBondContact O-N 3.5Å; C19-Q21 VanDerWaalsContact O-N 3.14Å
20L90.8Very high91.4Very high130 Ų13064.2 Ų64.268%0.68133%0.328SS*.SBendtrans57.523-176.7-50.8178.3000113.5T15 C16T15-L20 VanDerWaalsContact CG2-C 3.42Å; C16-L20 VanDerWaalsContact O-CA 3.24Å; C16-L20 WeakPolarHBondContact O-CA 3.37Å; C16-L20 PolarHBondContact O-N 2.95Å
21Q91.5Very high91.9Very high130 Ų13062.2 Ų62.261%0.60732%0.32SS*.SBendtrans-112.4163.6174.1-62.8-63.2-27.700109.6C16 C19C16-Q21 PolarHBondContact N-O 3.28Å; C19-Q21 PolarHBondContact O-N 3.5Å; C19-Q21 VanDerWaalsContact O-N 3.14Å
22Y91.2Very high92.3Very high43 Ų4360.7 Ų60.717%0.16932%0.323CS..BIsolated β-bridgetrans-52.2143.1171-74.2-65.7000111.7Q11 T14 V24 T75 V78 K79Q11-Y22 HydrophobicContact CG-CE1 4.36Å; T14-Y22 WeakPolarHBondContact O-CA 3.2Å; T14-Y22 WeakPolarHBondContact OG1-CE1 3.41Å; Y22-V24 PolarHBondContact O-N 3.19Å; Y22-T75 HydrophobicContact CD1-CG2 3.86Å; Y22-T75 HydrophobicContact CG-CG2 4.09Å; Y22-V78 HydrophobicContact CE1-CG1 4.03Å; Y22-K79 HydrophobicContact CD2-CD 4.38Å; Y22-K79 HydrophobicContact CD2-CG 3.97Å; Y22-K79 HydrophobicContact CE2-CG 4.12Å; Y22-K79 HydrophobicContact CG-CD 4.5Å; Y22-K79 VanDerWaalsContact CG-CE 3.47Å; Y22-K79 HydrophobicContact CG-CG 4.2Å
23F93.5Very high92.7Very high13 Ų1356.6 Ų56.66%0.05730%0.304CS..  trans-54.9132.2178.4-73.8-68.7000112.9T14 T15 C16 P26 N34 L71 T75T14-F23 VanDerWaalsContact C-CD2 3.42Å; T14-F23 WeakPolarHBondContact O-CD2 3.47Å; T14-F23 PolarHBondContact O-N 3.01Å; T14-F23 VanDerWaalsContact O-N 3.11Å; T15-F23 WeakPolarHBondContact O-CE2 3.46Å; T15-F23 WeakPolarHBondContact O-CZ 3.48Å; C16-F23 HydrophobicContact CB-CD1 3.69Å; C16-F23 HydrophobicContact CB-CE1 3.51Å; C16-F23 HydrophobicContact CB-CG 4.5Å; C16-F23 HydrophobicContact CB-CZ 4.21Å; F23-P26 HydrophobicContact CB-CB 3.84Å; F23-P26 HydrophobicContact CB-CG 3.94Å; F23-P26 HydrophobicContact CD1-CB 3.72Å; F23-P26 HydrophobicContact CE1-CB 4.45Å; F23-P26 HydrophobicContact CG-CB 3.81Å; F23-P26 HydrophobicContact CG-CG 4.39Å; F23-N34 VanDerWaalsContact CE1-C 3.47Å; F23-N34 HydrophobicContact CE1-CB 4.09Å; F23-N34 WeakPolarHBondContact CE1-O 3.49Å; F23-N34 HydrophobicContact CE2-CB 4.48Å; F23-N34 HydrophobicContact CZ-CB 3.87Å; F23-N34 WeakPolarHBondContact CZ-O 3.46Å; F23-L71 HydrophobicContact CD2-CD1 4.24Å; F23-L71 HydrophobicContact CD2-CD2 3.68Å; F23-L71 HydrophobicContact CD2-CG 3.91Å; F23-L71 HydrophobicContact CE2-CD1 4.48Å; F23-L71 HydrophobicContact CE2-CD2 3.67Å; F23-L71 HydrophobicContact CE2-CG 4.32Å; F23-L71 HydrophobicContact CG-CD2 4.25Å; F23-L71 HydrophobicContact CZ-CD2 4.22Å; F23-T75 HydrophobicContact CB-CG2 4.36Å
24V90.4Very high92.9Very high93 Ų9351.4 Ų51.456%0.56428%0.281SS*.SBendtrans-121.5115.6167.9179.80000105.6Y22 C36Y22-V24 PolarHBondContact O-N 3.19Å; V24-C36 PolarHBondContact N-SG 2.96Å; V24-C36 VanDerWaalsContact O-CB 3.27Å; V24-C36 WeakPolarHBondContact O-CB 3.32Å
25E92.2Very high93.1Very high144 Ų14451.3 Ų51.367%0.67328%0.28SS*.SBendtrans48.262.9-172.5-58.8-175.9127.600112.7M27 C37E25-M27 PolarHBondContact O-N 3.02Å; E25-C37 HydrophobicContact CB-CB 4.07Å; E25-C37 PolarHBondContact O-N 3.4Å
26P94.6Very high93.2Very high2 Ų250.1 Ų50.11%0.01327%0.273CS..EExtended strand (participates in β ladder)trans-63132.6179.924.1-30.9000111.6F23 N68 L71 A72F23-P26 HydrophobicContact CB-CB 3.84Å; F23-P26 HydrophobicContact CB-CG 3.94Å; F23-P26 HydrophobicContact CD1-CB 3.72Å; F23-P26 HydrophobicContact CE1-CB 4.45Å; F23-P26 HydrophobicContact CG-CB 3.81Å; F23-P26 HydrophobicContact CG-CG 4.39Å; P26-N68 WeakPolarHBondContact CG-O 3.16Å; P26-N68 PolarHBondContact O-N 3.02Å; P26-L71 HydrophobicContact CB-CD2 3.95Å; P26-L71 HydrophobicContact CB-CG 4.35Å; P26-L71 HydrophobicContact CG-CB 4.11Å; P26-L71 HydrophobicContact CG-CD2 4.34Å; P26-L71 HydrophobicContact CG-CG 4.2Å; P26-A72 HydrophobicContact CG-CB 3.97Å
27M94.5Very high93.1Very high22 Ų2252.4 Ų52.411%0.10829%0.289CS..EExtended strand (participates in β ladder)trans-110.2130.3173.5-58.7-64.2-75.100108.9E25 N34 I35 C37 L40 M65 P67E25-M27 PolarHBondContact O-N 3.02Å; M27-N34 CarbonylContact O-C 3.6Å; M27-N34 VanDerWaalsContact O-CA 3.31Å; M27-N34 WeakPolarHBondContact O-CA 3.38Å; M27-I35 PolarHBondContact N-O 3.08Å; M27-I35 PolarHBondContact O-N 3.01Å; M27-C37 HydrophobicContact CG-CB 3.94Å; M27-L40 HydrophobicContact CB-CD1 3.54Å; M27-L40 HydrophobicContact CG-CD1 4.12Å; M27-M65 HydrophobicContact CB-CB 4.32Å; M27-M65 HydrophobicContact CB-SD 4.37Å; M27-M65 HydrophobicContact CE-CB 3.95Å; M27-M65 HydrophobicContact CE-CG 3.52Å; M27-M65 HydrophobicContact CE-SD 3.69Å; M27-M65 HydrophobicContact CG-SD 4.32Å; M27-P67 HydrophobicContact CE-CG 4.05Å; M27-P67 HydrophobicContact SD-CB 4Å; M27-P67 HydrophobicContact SD-CG 3.78Å
28M95.4Very high93.2Very high74 Ų7453.6 Ų53.637%0.36530%0.303SS..EExtended strand (participates in β ladder)trans-88127.2173.6-172.7-178.6-65.100109.5N34 M65 R66 N68M28-N34 WeakPolarHBondContact CB-OD1 3.34Å; M28-M65 VanDerWaalsContact O-CA 3.31Å; M28-M65 WeakPolarHBondContact O-CA 3.44Å; M28-R66 PolarHBondContact N-O 3.19Å; M28-R66 PolarHBondContact O-N 3.4Å; M28-N68 HydrophobicContact CB-CB 4.46Å; M28-N68 HydrophobicContact CE-CB 4.42Å; M28-N68 WeakPolarHBondContact CE-ND2 3.36Å
29L93.1Very high93.2Very high4 Ų452.3 Ų52.32%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-84165.2171.8-63.7168.1000110.8C31 G32 H33 I35 L40 W44 C53 F60L29-C31 PolarHBondContact O-N 2.98Å; L29-G32 WeakPolarHBondContact O-CA 3.32Å; L29-G32 PolarHBondContact O-N 3.23Å; L29-H33 PolarHBondContact N-O 3.11Å; L29-I35 HydrophobicContact CD1-CD1 3.76Å; L29-I35 HydrophobicContact CD1-CG1 4.35Å; L29-L40 HydrophobicContact CD1-CD2 4.34Å; L29-L40 HydrophobicContact CD2-CD1 4.36Å; L29-L40 HydrophobicContact CD2-CD2 4.03Å; L29-W44 HydrophobicContact CD2-CH2 3.19Å; L29-W44 HydrophobicContact CD2-CZ2 3.35Å; L29-W44 HydrophobicContact CD2-CZ3 4.35Å; L29-C53 HydrophobicContact CD1-CB 3.92Å; L29-C53 VanDerWaalsContact CD1-SG 3.5Å; L29-F60 HydrophobicContact CB-CE2 4.44Å
30D91Very high93.2Very high103 Ų10350.2 Ų50.255%0.55128%0.281SS*.THydrogen-bonded Turntrans-60.1-30.6178-67.6-26000113.3G32 F60 H64D30-G32 PolarHBondContact O-N 3.3Å; D30-F60 HydrophobicContact CB-CD1 3.9Å; D30-F60 HydrophobicContact CB-CE1 3.83Å; D30-H64 WeakPolarHBondContact OD2-CB 3.46Å
31C93.4Very high93.1Very high33 Ų3346.7 Ų46.722%0.22327%0.27CS..THydrogen-bonded Turntrans-71.2-0.8171.4650000114.7L29 H33 C56 E58 F60L29-C31 PolarHBondContact O-N 2.98Å; C31-H33 VanDerWaalsContact C-N 3.32Å; C31-H33 PolarHBondContact O-N 3.3Å; C31-H33 PolarHBondContact SG-ND1 3.47Å; C31-C56 VanDerWaalsContact SG-SG 3.67Å; C31-E58 WeakPolarHBondContact CB-OE2 3.46Å; C31-F60 HydrophobicContact CB-CE1 4.17Å; C31-F60 HydrophobicContact CB-CZ 3.68Å
32G92.6Very high93Very high38 Ų3848.7 Ų48.739%0.39227%0.272SS..SBendtrans85.1-11.118000000115.7L29 D30 N34L29-G32 WeakPolarHBondContact O-CA 3.32Å; L29-G32 PolarHBondContact O-N 3.23Å; D30-G32 PolarHBondContact O-N 3.3Å; G32-N34 PolarHBondContact O-ND2 3.22Å
33H94.8Very high92.9Very high55 Ų5549.6 Ų49.626%0.25529%0.285SS..  trans-70.4142.5176.9-67.4112000112L29 C31 Q55L29-H33 PolarHBondContact N-O 3.11Å; C31-H33 VanDerWaalsContact C-N 3.32Å; C31-H33 PolarHBondContact O-N 3.3Å; C31-H33 PolarHBondContact SG-ND1 3.47Å; H33-Q55 HydrophobicContact CB-CB 4.39Å; H33-Q55 PolarHBondContact CD2-NE2 3.25Å; H33-Q55 PolarHBondContact CD2-OE1 2.99Å; H33-Q55 PolarHBondContact NE2-NE2 3.39Å
34N95.4Very high92.7Very high30 Ų3049.8 Ų49.816%0.1629%0.285CS..EExtended strand (participates in β ladder)trans-107.4134.5-177.6-63.8-89.1000110.9F23 M27 M28 G32 N68 L71F23-N34 VanDerWaalsContact CE1-C 3.47Å; F23-N34 HydrophobicContact CE1-CB 4.09Å; F23-N34 WeakPolarHBondContact CE1-O 3.49Å; F23-N34 HydrophobicContact CE2-CB 4.48Å; F23-N34 HydrophobicContact CZ-CB 3.87Å; F23-N34 WeakPolarHBondContact CZ-O 3.46Å; M27-N34 CarbonylContact O-C 3.6Å; M27-N34 VanDerWaalsContact O-CA 3.31Å; M27-N34 WeakPolarHBondContact O-CA 3.38Å; M28-N34 WeakPolarHBondContact CB-OD1 3.34Å; G32-N34 PolarHBondContact O-ND2 3.22Å; N34-N68 WeakPolarHBondContact OD1-CB 3.12Å; N34-N68 PolarHBondContact OD1-ND2 3.47Å; N34-L71 HydrophobicContact CB-CD2 3.42Å; N34-L71 VanDerWaalsContact CB-CD2 3.42Å; N34-L71 VanDerWaalsContact CG-CD2 3.45Å
35I95.2Very high92.4Very high0 Ų047.5 Ų47.50%028%0.28CS..EExtended strand (participates in β ladder)trans-142.7140.7-177.7-54.1-178.5000109.1P17 V18 M27 L29 C39 L40 P54P17-I35 HydrophobicContact CG-CG1 4.14Å; V18-I35 HydrophobicContact CB-CG2 4.43Å; V18-I35 HydrophobicContact CG2-CD1 4.38Å; V18-I35 HydrophobicContact CG2-CG2 3.78Å; M27-I35 PolarHBondContact N-O 3.08Å; M27-I35 PolarHBondContact O-N 3.01Å; L29-I35 HydrophobicContact CD1-CD1 3.76Å; L29-I35 HydrophobicContact CD1-CG1 4.35Å; I35-C39 HydrophobicContact CG2-CB 3.74Å; I35-L40 HydrophobicContact CB-CD1 4.04Å; I35-L40 HydrophobicContact CB-CD2 4.07Å; I35-L40 HydrophobicContact CB-CG 3.74Å; I35-L40 HydrophobicContact CD1-CD2 4.01Å; I35-L40 HydrophobicContact CG2-CD1 4.48Å; I35-L40 HydrophobicContact CG2-CD2 4.12Å; I35-L40 HydrophobicContact CG2-CG 3.7Å; I35-P54 HydrophobicContact CD1-CB 3.91Å; I35-P54 HydrophobicContact CD1-CG 3.6Å
36C95.5Very high91.9Very high5 Ų545.1 Ų45.13%0.03429%0.285CS..EExtended strand (participates in β ladder)trans-56.7142.3177.3-58.30000111.4C16 V24 A38 C39 L40C16-C36 VanDerWaalsContact CB-SG 3.57Å; V24-C36 PolarHBondContact N-SG 2.96Å; V24-C36 VanDerWaalsContact O-CB 3.27Å; V24-C36 WeakPolarHBondContact O-CB 3.32Å; C36-A38 VanDerWaalsContact C-N 3.31Å; C36-A38 PolarHBondContact O-N 3.1Å; C36-C39 HydrophobicContact CB-CB 4.01Å; C36-C39 WeakPolarHBondContact O-CA 3.45Å; C36-C39 WeakPolarHBondContact O-CB 3.27Å; C36-C39 PolarHBondContact O-N 3.4Å; C36-L40 PolarHBondContact O-N 3.4Å
37C93Very high91.1Very high48 Ų4847.5 Ų47.532%0.32431%0.305SS..Hα-helixtrans-51.6-48.8178.5-1750000112.3E25 M27 C39 L40 A41E25-C37 HydrophobicContact CB-CB 4.07Å; E25-C37 PolarHBondContact O-N 3.4Å; M27-C37 HydrophobicContact CG-CB 3.94Å; C37-C39 VanDerWaalsContact C-N 3.33Å; C37-C39 PolarHBondContact O-N 2.93Å; C37-L40 PolarHBondContact O-N 3.26Å; C37-A41 WeakPolarHBondContact O-CB 3.4Å; C37-A41 PolarHBondContact O-N 3.01Å
38A92.6Very high90.3Very high76 Ų7653.8 Ų53.863%0.62833%0.334SS*.Hα-helixtrans-63-35.6176.800000113.3C36 R42C36-A38 VanDerWaalsContact C-N 3.31Å; C36-A38 PolarHBondContact O-N 3.1Å; A38-R42 WeakPolarHBondContact O-CB 3.44Å; A38-R42 PolarHBondContact O-N 3.32Å
39C94.2Very high89.8Confident11 Ų1154.7 Ų54.77%0.07434%0.344CS..Hα-helixtrans-68.9-41.8177.7-71.60000111.5V18 I35 C36 C37 R42 C43V18-C39 HydrophobicContact CB-CB 3.97Å; V18-C39 HydrophobicContact CG1-CB 3.94Å; I35-C39 HydrophobicContact CG2-CB 3.74Å; C36-C39 HydrophobicContact CB-CB 4.01Å; C36-C39 WeakPolarHBondContact O-CA 3.45Å; C36-C39 WeakPolarHBondContact O-CB 3.27Å; C36-C39 PolarHBondContact O-N 3.4Å; C37-C39 VanDerWaalsContact C-N 3.33Å; C37-C39 PolarHBondContact O-N 2.93Å; C39-R42 PolarHBondContact O-N 2.92Å; C39-C43 WeakPolarHBondContact O-CB 3.44Å; C39-C43 PolarHBondContact O-N 3.49Å; C39-C43 PolarHBondContact O-SG 3.35Å; C39-C43 VanDerWaalsContact O-SG 3.32Å
40L91.5Very high89.4Confident1 Ų160.4 Ų60.41%0.00537%0.374CS..Hα-helixtrans-64.3-45.9174-80.3168.9000111.8M27 L29 I35 C36 C37 R42 C43 W44 P54 M65M27-L40 HydrophobicContact CB-CD1 3.54Å; M27-L40 HydrophobicContact CG-CD1 4.12Å; L29-L40 HydrophobicContact CD1-CD2 4.34Å; L29-L40 HydrophobicContact CD2-CD1 4.36Å; L29-L40 HydrophobicContact CD2-CD2 4.03Å; I35-L40 HydrophobicContact CB-CD1 4.04Å; I35-L40 HydrophobicContact CB-CD2 4.07Å; I35-L40 HydrophobicContact CB-CG 3.74Å; I35-L40 HydrophobicContact CD1-CD2 4.01Å; I35-L40 HydrophobicContact CG2-CD1 4.48Å; I35-L40 HydrophobicContact CG2-CD2 4.12Å; I35-L40 HydrophobicContact CG2-CG 3.7Å; C36-L40 PolarHBondContact O-N 3.4Å; C37-L40 PolarHBondContact O-N 3.26Å; L40-R42 PolarHBondContact O-N 2.89Å; L40-C43 PolarHBondContact O-N 3.32Å; L40-C43 VanDerWaalsContact O-N 3.13Å; L40-W44 HydrophobicContact CD2-CD2 4.17Å; L40-W44 HydrophobicContact CD2-CE3 4.4Å; L40-W44 HydrophobicContact CD2-CH2 4.05Å; L40-W44 HydrophobicContact CD2-CZ2 3.74Å; L40-W44 HydrophobicContact CD2-CZ3 4.34Å; L40-W44 WeakPolarHBondContact O-CB 3.36Å; L40-W44 PolarHBondContact O-N 2.86Å; L40-P54 HydrophobicContact CD2-CG 4.48Å; L40-M65 HydrophobicContact CD1-SD 3.95Å
41A89.7Confident89.3Confident55 Ų5555.7 Ų55.746%0.45535%0.349SS..Hα-helixtrans-56-40.3175.800000111.4C37 G45C37-A41 WeakPolarHBondContact O-CB 3.4Å; C37-A41 PolarHBondContact O-N 3.01Å; A41-G45 WeakPolarHBondContact O-CA 3.45Å; A41-G45 PolarHBondContact O-N 2.96Å
42R90.2Very high89.2Confident172 Ų17256.7 Ų56.765%0.64936%0.357SS*.Hα-helixtrans-69.2-42.3175.2-172174.166.1-1792113.2A38 C39 L40A38-R42 WeakPolarHBondContact O-CB 3.44Å; A38-R42 PolarHBondContact O-N 3.32Å; C39-R42 PolarHBondContact O-N 2.92Å; L40-R42 PolarHBondContact O-N 2.89Å
43C87.7Confident89.3Confident63 Ų6354.9 Ų54.943%0.42634%0.338SS..Hα-helixtrans-70.6-38-178.8-73.70000113C39 L40 P54C39-C43 WeakPolarHBondContact O-CB 3.44Å; C39-C43 PolarHBondContact O-N 3.49Å; C39-C43 PolarHBondContact O-SG 3.35Å; C39-C43 VanDerWaalsContact O-SG 3.32Å; L40-C43 PolarHBondContact O-N 3.32Å; L40-C43 VanDerWaalsContact O-N 3.13Å; C43-P54 HydrophobicContact CB-CG 3.95Å
44W89.4Confident89.1Confident17 Ų1754.7 Ų54.76%0.06434%0.341CS..Hα-helixtrans-93.2-18-178.1-62.3-18.4000113.1L29 L40 A46 A47 V51 S52 R63 M65L29-W44 HydrophobicContact CD2-CH2 3.19Å; L29-W44 HydrophobicContact CD2-CZ2 3.35Å; L29-W44 HydrophobicContact CD2-CZ3 4.35Å; L40-W44 HydrophobicContact CD2-CD2 4.17Å; L40-W44 HydrophobicContact CD2-CE3 4.4Å; L40-W44 HydrophobicContact CD2-CH2 4.05Å; L40-W44 HydrophobicContact CD2-CZ2 3.74Å; L40-W44 HydrophobicContact CD2-CZ3 4.34Å; L40-W44 WeakPolarHBondContact O-CB 3.36Å; L40-W44 PolarHBondContact O-N 2.86Å; W44-A46 PolarHBondContact O-N 3.47Å; W44-A47 WeakPolarHBondContact O-CB 3.47Å; W44-A47 PolarHBondContact O-N 3.13Å; W44-V51 HydrophobicContact CB-CG1 4.19Å; W44-V51 HydrophobicContact CD2-CB 3.9Å; W44-V51 HydrophobicContact CD2-CG1 4.03Å; W44-V51 HydrophobicContact CD2-CG2 4.24Å; W44-V51 HydrophobicContact CE3-CG1 4.48Å; W44-V51 HydrophobicContact CE3-CG2 4.47Å; W44-V51 HydrophobicContact CG-CB 4.04Å; W44-V51 HydrophobicContact CG-CG1 3.92Å; W44-V51 HydrophobicContact CH2-CG2 3.99Å; W44-V51 HydrophobicContact CZ2-CB 4.06Å; W44-V51 HydrophobicContact CZ2-CG2 3.78Å; W44-V51 HydrophobicContact CZ3-CG2 4.36Å; W44-S52 PolarHBondContact NE1-O 2.86Å; W44-R63 VanDerWaalsContact CB-NH2 3.34Å; W44-R63 HydrophobicContact CE3-CB 4.49Å; W44-R63 HydrophobicContact CE3-CG 3.87Å; W44-R63 HydrophobicContact CZ3-CB 4.04Å; W44-R63 HydrophobicContact CZ3-CG 3.88Å; W44-R63 PolarHBondContact O-NH2 3.22Å; W44-M65 HydrophobicContact CE3-CE 4.34Å; W44-M65 HydrophobicContact CZ3-CE 3.86Å; W44-M65 HydrophobicContact CZ3-SD 3.89Å
45G84Confident88.9Confident45 Ų4557.7 Ų57.746%0.46436%0.355SS..THydrogen-bonded Turntrans51.9-123.418000000111.5A41 R63A41-G45 WeakPolarHBondContact O-CA 3.45Å; A41-G45 PolarHBondContact O-N 2.96Å; G45-R63 PolarHBondContact O-NH1 3.33Å; G45-R63 PolarHBondContact O-NH2 3.25Å
46A81.5Confident88.9Confident94 Ų9460.3 Ų60.378%0.77737%0.372SS*.THydrogen-bonded Turntrans-94.1-0.2175.500000114.6W44 E48W44-A46 PolarHBondContact O-N 3.47Å; A46-E48 PolarHBondContact O-N 3.13Å; A46-E48 VanDerWaalsContact O-N 3.14Å
47A79.1Confident88.7Confident51 Ų5170.1 Ų70.142%0.42141%0.408SS..  trans-69.4109.3-176.200000111.7W44 V51 R63W44-A47 WeakPolarHBondContact O-CB 3.47Å; W44-A47 PolarHBondContact O-N 3.13Å; A47-V51 HydrophobicContact CB-CG1 4.42Å; A47-V51 VanDerWaalsContact O-CG1 3.26Å; A47-V51 WeakPolarHBondContact O-CG1 3.29Å; A47-R63 PolarHBondContact O-NE 3.36Å; A47-R63 PolarHBondContact O-NH2 2.96Å
48E77.7Confident88.6Confident155 Ų15572.8 Ų72.872%0.72442%0.416SS*.  trans-83-23.8-177-66.8-174.7166.500113.8A46A46-E48 PolarHBondContact O-N 3.13Å; A46-E48 VanDerWaalsContact O-N 3.14Å
49T83.5Confident88.6Confident93 Ų9373.8 Ų73.857%0.57141%0.414SS*.EExtended strand (participates in β ladder)trans-129.2157.4-175.857.70000112.1V51 P61T49-V51 VanDerWaalsContact C-N 3.32Å; T49-V51 PolarHBondContact O-N 3.37Å; T49-P61 VanDerWaalsContact CA-O 3.31Å; T49-P61 WeakPolarHBondContact CA-O 3.41Å; T49-P61 WeakPolarHBondContact CB-O 3.32Å
50N85.5Confident88.2Confident123 Ų12373.9 Ų73.966%0.65841%0.413SS*.EExtended strand (participates in β ladder)trans54.443-178.6-63.2-33000113.8F60 P61N50-F60 CarbonylContact C-O 3.59Å; N50-F60 VanDerWaalsContact CA-O 3.28Å; N50-F60 WeakPolarHBondContact CA-O 3.33Å; N50-F60 PolarHBondContact N-O 3.34Å; N50-P61 PolarHBondContact N-O 2.96Å
51V89.7Confident88Confident5 Ų578.2 Ų78.23%0.0344%0.442CS..EExtended strand (participates in β ladder)trans-79.9139.4178.1-66.90000110.6W44 A47 T49 T59 F60 R63W44-V51 HydrophobicContact CB-CG1 4.19Å; W44-V51 HydrophobicContact CD2-CB 3.9Å; W44-V51 HydrophobicContact CD2-CG1 4.03Å; W44-V51 HydrophobicContact CD2-CG2 4.24Å; W44-V51 HydrophobicContact CE3-CG1 4.48Å; W44-V51 HydrophobicContact CE3-CG2 4.47Å; W44-V51 HydrophobicContact CG-CB 4.04Å; W44-V51 HydrophobicContact CG-CG1 3.92Å; W44-V51 HydrophobicContact CH2-CG2 3.99Å; W44-V51 HydrophobicContact CZ2-CB 4.06Å; W44-V51 HydrophobicContact CZ2-CG2 3.78Å; W44-V51 HydrophobicContact CZ3-CG2 4.36Å; A47-V51 HydrophobicContact CB-CG1 4.42Å; A47-V51 VanDerWaalsContact O-CG1 3.26Å; A47-V51 WeakPolarHBondContact O-CG1 3.29Å; T49-V51 VanDerWaalsContact C-N 3.32Å; T49-V51 PolarHBondContact O-N 3.37Å; V51-T59 CarbonylContact O-C 3.57Å; V51-T59 WeakPolarHBondContact O-CA 3.4Å; V51-F60 HydrophobicContact CG2-CB 4.44Å; V51-F60 PolarHBondContact N-O 2.97Å; V51-F60 PolarHBondContact O-N 3.2Å; V51-R63 HydrophobicContact CG1-CG 4.09Å; V51-R63 HydrophobicContact CG2-CG 4.17Å
52S91.3Very high87.7Confident54 Ų5481.1 Ų81.138%0.37845%0.446SS..EExtended strand (participates in β ladder)trans-105.4146.3179.257.20000112.3W44 P54 E58W44-S52 PolarHBondContact NE1-O 2.86Å; S52-P54 VanDerWaalsContact O-CD 3.24Å; S52-P54 WeakPolarHBondContact O-CD 3.46Å; S52-E58 CarbonylContact C-O 3.5Å; S52-E58 VanDerWaalsContact CA-O 3.28Å; S52-E58 WeakPolarHBondContact CA-O 3.3Å
53C93.7Very high87.4Confident0 Ų076.6 Ų76.60%043%0.429CS..  trans-64.5120.8170.1178.20000109.9L29 Q55 C56 R57 E58 F60L29-C53 HydrophobicContact CD1-CB 3.92Å; L29-C53 VanDerWaalsContact CD1-SG 3.5Å; C53-Q55 PolarHBondContact O-N 2.92Å; C53-Q55 VanDerWaalsContact O-N 3.08Å; C53-Q55 PolarHBondContact SG-N 3.07Å; C53-Q55 VanDerWaalsContact SG-N 3.38Å; C53-C56 WeakPolarHBondContact CB-SG 3.36Å; C53-C56 PolarHBondContact SG-N 2.86Å; C53-R57 WeakPolarHBondContact O-CA 3.42Å; C53-R57 PolarHBondContact O-N 3.36Å; C53-E58 PolarHBondContact N-O 3.3Å; C53-F60 HydrophobicContact CB-CE2 3.91Å; C53-F60 HydrophobicContact CB-CZ 4.28Å
54P91.1Very high87.3Confident50 Ų5078.4 Ų78.433%0.32543%0.431SS..THydrogen-bonded Turntrans-57.5-22175.1-26.133.3000114.9V18 I35 L40 C43 S52V18-P54 HydrophobicContact CG2-CB 3.73Å; V18-P54 HydrophobicContact CG2-CG 4.25Å; I35-P54 HydrophobicContact CD1-CB 3.91Å; I35-P54 HydrophobicContact CD1-CG 3.6Å; L40-P54 HydrophobicContact CD2-CG 4.48Å; C43-P54 HydrophobicContact CB-CG 3.95Å; S52-P54 VanDerWaalsContact O-CD 3.24Å; S52-P54 WeakPolarHBondContact O-CD 3.46Å
55Q91.4Very high87.2Confident94 Ų9480.6 Ų80.644%0.43944%0.442SS..THydrogen-bonded Turntrans-90.6-55.5-178.1-174.8171.2-1500113P17 H33 C53P17-Q55 HydrophobicContact CB-CB 4.5Å; P17-Q55 HydrophobicContact CB-CG 4.43Å; P17-Q55 HydrophobicContact CG-CB 4.25Å; H33-Q55 HydrophobicContact CB-CB 4.39Å; H33-Q55 PolarHBondContact CD2-NE2 3.25Å; H33-Q55 PolarHBondContact CD2-OE1 2.99Å; H33-Q55 PolarHBondContact NE2-NE2 3.39Å; C53-Q55 PolarHBondContact O-N 2.92Å; C53-Q55 VanDerWaalsContact O-N 3.08Å; C53-Q55 PolarHBondContact SG-N 3.07Å; C53-Q55 VanDerWaalsContact SG-N 3.38Å
56C93.7Very high87.7Confident54 Ų5488.3 Ų88.337%0.36546%0.458SS..THydrogen-bonded Turntrans-101.5-7.9-177.265.20000114.7C31 C53 E58C31-C56 VanDerWaalsContact SG-SG 3.67Å; C53-C56 WeakPolarHBondContact CB-SG 3.36Å; C53-C56 PolarHBondContact SG-N 2.86Å; C56-E58 PolarHBondContact O-N 3.05Å; C56-E58 VanDerWaalsContact SG-CB 3.55Å
57R91.4Very high88.3Confident211 Ų21188 Ų8880%0.79645%0.447SS*.  trans64.68.9-176.2-53.1-178.1-179.3-179.8-0.2116C53 T59C53-R57 WeakPolarHBondContact O-CA 3.42Å; C53-R57 PolarHBondContact O-N 3.36Å; R57-T59 PolarHBondContact O-N 3.47Å
58E92.7Very high89Confident105 Ų10586.9 Ų86.949%0.49144%0.435SS..  trans-60.4132.1171.1-170.8174.2173.600110.6C31 S52 C53 C56 F60C31-E58 WeakPolarHBondContact CB-OE2 3.46Å; S52-E58 CarbonylContact C-O 3.5Å; S52-E58 VanDerWaalsContact CA-O 3.28Å; S52-E58 WeakPolarHBondContact CA-O 3.3Å; C53-E58 PolarHBondContact N-O 3.3Å; C56-E58 PolarHBondContact O-N 3.05Å; C56-E58 VanDerWaalsContact SG-CB 3.55Å; E58-F60 HydrophobicContact CB-CE1 4.36Å; E58-F60 HydrophobicContact CB-CZ 4Å; E58-F60 HydrophobicContact CG-CE1 3.84Å; E58-F60 HydrophobicContact CG-CZ 4.01Å; E58-F60 WeakPolarHBondContact O-CE2 3.46Å
59T90.8Very high89.8Confident96 Ų9688.7 Ų88.759%0.58944%0.435SS*.EExtended strand (participates in β ladder)trans-97.7128.7-176.547.80000111.4V51 R57V51-T59 CarbonylContact O-C 3.57Å; V51-T59 WeakPolarHBondContact O-CA 3.4Å; R57-T59 PolarHBondContact O-N 3.47Å
60F87.5Confident90.2Very high13 Ų1391.6 Ų91.66%0.05744%0.441CS..EExtended strand (participates in β ladder)trans-109.3138.4176.4-44.7-72.8000109.9L29 D30 C31 N50 V51 C53 E58 Q62L29-F60 HydrophobicContact CB-CE2 4.44Å; D30-F60 HydrophobicContact CB-CD1 3.9Å; D30-F60 HydrophobicContact CB-CE1 3.83Å; C31-F60 HydrophobicContact CB-CE1 4.17Å; C31-F60 HydrophobicContact CB-CZ 3.68Å; N50-F60 CarbonylContact C-O 3.59Å; N50-F60 VanDerWaalsContact CA-O 3.28Å; N50-F60 WeakPolarHBondContact CA-O 3.33Å; N50-F60 PolarHBondContact N-O 3.34Å; V51-F60 HydrophobicContact CG2-CB 4.44Å; V51-F60 PolarHBondContact N-O 2.97Å; V51-F60 PolarHBondContact O-N 3.2Å; C53-F60 HydrophobicContact CB-CE2 3.91Å; C53-F60 HydrophobicContact CB-CZ 4.28Å; E58-F60 HydrophobicContact CB-CE1 4.36Å; E58-F60 HydrophobicContact CB-CZ 4Å; E58-F60 HydrophobicContact CG-CE1 3.84Å; E58-F60 HydrophobicContact CG-CZ 4.01Å; E58-F60 WeakPolarHBondContact O-CE2 3.46Å; F60-Q62 PolarHBondContact O-N 3.37Å
61P86.1Confident90.7Very high92 Ų9286.8 Ų86.860%0.59742%0.416SS*.EExtended strand (participates in β ladder)trans-65.7-25.3-179.723.2-30.7000112.9T49 N50T49-P61 VanDerWaalsContact CA-O 3.31Å; T49-P61 WeakPolarHBondContact CA-O 3.41Å; T49-P61 WeakPolarHBondContact CB-O 3.32Å; N50-P61 PolarHBondContact N-O 2.96Å
62Q84.7Confident90.8Very high116 Ų11688 Ų8854%0.54243%0.426SS..EExtended strand (participates in β ladder)trans-138.3160.1-177.3-66.8-178.3-5.300111.4F60 H64F60-Q62 PolarHBondContact O-N 3.37Å; Q62-H64 VanDerWaalsContact C-N 3.26Å; Q62-H64 VanDerWaalsContact CB-CD2 3.42Å; Q62-H64 WeakPolarHBondContact CB-CD2 3.31Å; Q62-H64 PolarHBondContact O-N 3.44Å; Q62-H64 PolarHBondContact OE1-NE2 2.89Å
63R84.1Confident90.8Very high78 Ų7889.8 Ų89.829%0.29443%0.432SS..  trans-76.664.5176.1-67.1-173.6175.5-164.6-1.3113W44 G45 A47 V51 M65W44-R63 VanDerWaalsContact CB-NH2 3.34Å; W44-R63 HydrophobicContact CE3-CB 4.49Å; W44-R63 HydrophobicContact CE3-CG 3.87Å; W44-R63 HydrophobicContact CZ3-CB 4.04Å; W44-R63 HydrophobicContact CZ3-CG 3.88Å; W44-R63 PolarHBondContact O-NH2 3.22Å; G45-R63 PolarHBondContact O-NH1 3.33Å; G45-R63 PolarHBondContact O-NH2 3.25Å; A47-R63 PolarHBondContact O-NE 3.36Å; A47-R63 PolarHBondContact O-NH2 2.96Å; V51-R63 HydrophobicContact CG1-CG 4.09Å; V51-R63 HydrophobicContact CG2-CG 4.17Å; R63-M65 HydrophobicContact CB-CE 4.43Å; R63-M65 PolarHBondContact O-N 3.5Å
64H84.7Confident90.7Very high101 Ų10192.9 Ų92.947%0.46845%0.45SS..  trans-85111173.5-74.4-130.3000108.8D30 Q62D30-H64 WeakPolarHBondContact OD2-CB 3.46Å; Q62-H64 VanDerWaalsContact C-N 3.26Å; Q62-H64 VanDerWaalsContact CB-CD2 3.42Å; Q62-H64 WeakPolarHBondContact CB-CD2 3.31Å; Q62-H64 PolarHBondContact O-N 3.44Å; Q62-H64 PolarHBondContact OE1-NE2 2.89Å
65M88.1Confident90.7Very high62 Ų6290.6 Ų90.631%0.30544%0.435SS..EExtended strand (participates in β ladder)trans-145.4140.1178.153.6177.4153.200110.4M27 M28 L40 W44 R63M27-M65 HydrophobicContact CB-CB 4.32Å; M27-M65 HydrophobicContact CB-SD 4.37Å; M27-M65 HydrophobicContact CE-CB 3.95Å; M27-M65 HydrophobicContact CE-CG 3.52Å; M27-M65 HydrophobicContact CE-SD 3.69Å; M27-M65 HydrophobicContact CG-SD 4.32Å; M28-M65 VanDerWaalsContact O-CA 3.31Å; M28-M65 WeakPolarHBondContact O-CA 3.44Å; L40-M65 HydrophobicContact CD1-SD 3.95Å; W44-M65 HydrophobicContact CE3-CE 4.34Å; W44-M65 HydrophobicContact CZ3-CE 3.86Å; W44-M65 HydrophobicContact CZ3-SD 3.89Å; R63-M65 HydrophobicContact CB-CE 4.43Å; R63-M65 PolarHBondContact O-N 3.5Å
66R93.1Very high90.5Very high207 Ų20791.6 Ų91.678%0.78144%0.44SS*.EExtended strand (participates in β ladder)trans-121132.2-178.6-65.7-177-177.9-170.3-1.3110.5M28 N68M28-R66 PolarHBondContact N-O 3.19Å; M28-R66 PolarHBondContact O-N 3.4Å; R66-N68 PolarHBondContact O-N 2.91Å
67P93.8Very high90.1Very high87 Ų8793.6 Ų93.657%0.56545%0.446SS*.EExtended strand (participates in β ladder)trans-59.8124.1174.5-21.431000111.5M27 R69M27-P67 HydrophobicContact CE-CG 4.05Å; M27-P67 HydrophobicContact SD-CB 4Å; M27-P67 HydrophobicContact SD-CG 3.78Å; P67-R69 PolarHBondContact O-N 2.76Å
68N95Very high89.9Confident28 Ų2884 Ų8415%0.1541%0.411CS..  trans-92.278.1176.9-169.7-14.4000110.3P26 M28 N34 R66 H70 L71 A72P26-N68 WeakPolarHBondContact CG-O 3.16Å; P26-N68 PolarHBondContact O-N 3.02Å; M28-N68 HydrophobicContact CB-CB 4.46Å; M28-N68 HydrophobicContact CE-CB 4.42Å; M28-N68 WeakPolarHBondContact CE-ND2 3.36Å; N34-N68 WeakPolarHBondContact OD1-CB 3.12Å; N34-N68 PolarHBondContact OD1-ND2 3.47Å; R66-N68 PolarHBondContact O-N 2.91Å; N68-H70 PolarHBondContact O-N 2.87Å; N68-H70 PolarHBondContact OD1-N 3.18Å; N68-L71 HydrophobicContact CB-CB 4.06Å; N68-L71 VanDerWaalsContact CG-CB 3.44Å; N68-L71 PolarHBondContact O-N 3.03Å; N68-L71 VanDerWaalsContact O-N 3.15Å; N68-L71 PolarHBondContact OD1-N 3.16Å; N68-A72 PolarHBondContact O-N 2.87Å
69R93.3Very high89.4Confident194 Ų19483 Ų8373%0.73241%0.405SS*.Hα-helixtrans-59.5-32-179.6-64.6-177-179.5174-0.3112.8P67 A72 N73P67-R69 PolarHBondContact O-N 2.76Å; R69-A72 WeakPolarHBondContact O-CB 3.41Å; R69-A72 PolarHBondContact O-N 3.33Å; R69-N73 PolarHBondContact O-N 3.05Å; R69-N73 PolarHBondContact O-OD1 2.67Å
70H93.3Very high88.6Confident153 Ų15382.2 Ų82.271%0.70840%0.395SS*.Hα-helixtrans-64.6-45.4176.1-70.6-68.1000111.4N68 A72 N73 V74N68-H70 PolarHBondContact O-N 2.87Å; N68-H70 PolarHBondContact OD1-N 3.18Å; H70-A72 VanDerWaalsContact C-N 3.31Å; H70-A72 PolarHBondContact O-N 3.4Å; H70-N73 PolarHBondContact O-N 3.22Å; H70-V74 VanDerWaalsContact O-CG2 3.32Å; H70-V74 WeakPolarHBondContact O-CG2 3.31Å; H70-V74 PolarHBondContact O-N 3.46Å
71L94.3Very high87.9Confident23 Ų2387.2 Ų87.212%0.1242%0.422CS..Hα-helixtrans-64.3-37.1174.9-176.158.7000111.9T14 F23 P26 N34 N68 N73 V74 T75T14-L71 HydrophobicContact CG2-CD1 4.45Å; F23-L71 HydrophobicContact CD2-CD1 4.24Å; F23-L71 HydrophobicContact CD2-CD2 3.68Å; F23-L71 HydrophobicContact CD2-CG 3.91Å; F23-L71 HydrophobicContact CE2-CD1 4.48Å; F23-L71 HydrophobicContact CE2-CD2 3.67Å; F23-L71 HydrophobicContact CE2-CG 4.32Å; F23-L71 HydrophobicContact CG-CD2 4.25Å; F23-L71 HydrophobicContact CZ-CD2 4.22Å; P26-L71 HydrophobicContact CB-CD2 3.95Å; P26-L71 HydrophobicContact CB-CG 4.35Å; P26-L71 HydrophobicContact CG-CB 4.11Å; P26-L71 HydrophobicContact CG-CD2 4.34Å; P26-L71 HydrophobicContact CG-CG 4.2Å; N34-L71 HydrophobicContact CB-CD2 3.42Å; N34-L71 VanDerWaalsContact CB-CD2 3.42Å; N34-L71 VanDerWaalsContact CG-CD2 3.45Å; N68-L71 HydrophobicContact CB-CB 4.06Å; N68-L71 VanDerWaalsContact CG-CB 3.44Å; N68-L71 PolarHBondContact O-N 3.03Å; N68-L71 VanDerWaalsContact O-N 3.15Å; N68-L71 PolarHBondContact OD1-N 3.16Å; L71-N73 VanDerWaalsContact C-N 3.35Å; L71-N73 PolarHBondContact O-N 3.29Å; L71-V74 PolarHBondContact O-N 3.39Å; L71-T75 VanDerWaalsContact O-CB 3.22Å; L71-T75 WeakPolarHBondContact O-CB 3.41Å; L71-T75 PolarHBondContact O-N 3.2Å; L71-T75 PolarHBondContact O-OG1 3.41Å
72A91.9Very high86.9Confident30 Ų3088.9 Ų88.925%0.24842%0.416CS..Hα-helixtrans-59.4-46.4173.400000111.6P26 N68 R69 H70 T75 Q76P26-A72 HydrophobicContact CG-CB 3.97Å; N68-A72 PolarHBondContact O-N 2.87Å; R69-A72 WeakPolarHBondContact O-CB 3.41Å; R69-A72 PolarHBondContact O-N 3.33Å; H70-A72 VanDerWaalsContact C-N 3.31Å; H70-A72 PolarHBondContact O-N 3.4Å; A72-T75 WeakPolarHBondContact O-CB 3.15Å; A72-T75 PolarHBondContact O-N 2.93Å; A72-Q76 PolarHBondContact O-N 3.12Å
73N92Very high85.7Confident92 Ų9288.6 Ų88.649%0.49242%0.423SS..Hα-helixtrans-65.5-46.3178.2-66.7-9.2000111.8R69 H70 L71 T75 Q76 L77R69-N73 PolarHBondContact O-N 3.05Å; R69-N73 PolarHBondContact O-OD1 2.67Å; H70-N73 PolarHBondContact O-N 3.22Å; L71-N73 VanDerWaalsContact C-N 3.35Å; L71-N73 PolarHBondContact O-N 3.29Å; N73-T75 VanDerWaalsContact C-N 3.29Å; N73-T75 PolarHBondContact O-N 3.05Å; N73-Q76 PolarHBondContact O-N 2.84Å; N73-Q76 VanDerWaalsContact O-N 3.16Å; N73-L77 WeakPolarHBondContact O-CG 3.36Å; N73-L77 PolarHBondContact O-N 3.2Å
74V91.9Very high83.6Confident64 Ų6491.5 Ų91.539%0.38844%0.439SS..Hα-helixtrans-60.3-41.8175.8172.50000110.4T14 H70 L71 Q76 L77 V78T14-V74 HydrophobicContact CG2-CG1 4.01Å; H70-V74 VanDerWaalsContact O-CG2 3.32Å; H70-V74 WeakPolarHBondContact O-CG2 3.31Å; H70-V74 PolarHBondContact O-N 3.46Å; L71-V74 PolarHBondContact O-N 3.39Å; V74-Q76 VanDerWaalsContact C-N 3.31Å; V74-Q76 PolarHBondContact O-N 3.4Å; V74-L77 PolarHBondContact O-N 2.89Å; V74-V78 HydrophobicContact CG1-CG2 4.3Å; V74-V78 VanDerWaalsContact O-CG2 3.32Å; V74-V78 WeakPolarHBondContact O-CG2 3.48Å; V74-V78 PolarHBondContact O-N 3.45Å
75T91.1Very high81.4Confident2 Ų296.1 Ų96.11%0.01245%0.453CS..Hα-helixtrans-60.8-40.9176.4-59.60000111.4Y22 F23 L71 A72 N73 V78 K79Y22-T75 HydrophobicContact CD1-CG2 3.86Å; Y22-T75 HydrophobicContact CG-CG2 4.09Å; F23-T75 HydrophobicContact CB-CG2 4.36Å; L71-T75 VanDerWaalsContact O-CB 3.22Å; L71-T75 WeakPolarHBondContact O-CB 3.41Å; L71-T75 PolarHBondContact O-N 3.2Å; L71-T75 PolarHBondContact O-OG1 3.41Å; A72-T75 WeakPolarHBondContact O-CB 3.15Å; A72-T75 PolarHBondContact O-N 2.93Å; N73-T75 VanDerWaalsContact C-N 3.29Å; N73-T75 PolarHBondContact O-N 3.05Å; T75-V78 PolarHBondContact O-N 2.99Å; T75-K79 WeakPolarHBondContact O-CG 3.46Å; T75-K79 PolarHBondContact O-N 3.4Å
76Q86.9Confident79Confident115 Ų11599.6 Ų99.654%0.53748%0.48SS..Hα-helixtrans-67.8-41.5175.7-174.3164.7-9.800112.3A72 N73 V74 V78 K79 Q80A72-Q76 PolarHBondContact O-N 3.12Å; N73-Q76 PolarHBondContact O-N 2.84Å; N73-Q76 VanDerWaalsContact O-N 3.16Å; V74-Q76 VanDerWaalsContact C-N 3.31Å; V74-Q76 PolarHBondContact O-N 3.4Å; Q76-V78 VanDerWaalsContact C-N 3.35Å; Q76-V78 PolarHBondContact O-N 3.36Å; Q76-K79 WeakPolarHBondContact O-CB 3.35Å; Q76-K79 PolarHBondContact O-N 3Å; Q76-Q80 WeakPolarHBondContact O-CG 3.4Å; Q76-Q80 PolarHBondContact O-N 3.49Å
77L86.3Confident76.4Confident96 Ų9692.6 Ų92.650%0.50346%0.463SS..Hα-helixtrans-63.2-39.1174.5-70.5170.8000111.9N73 V74 Q80 L81N73-L77 WeakPolarHBondContact O-CG 3.36Å; N73-L77 PolarHBondContact O-N 3.2Å; V74-L77 PolarHBondContact O-N 2.89Å; L77-Q80 CarbonylContact O-C 3.58Å; L77-Q80 PolarHBondContact O-N 3.09Å; L77-L81 WeakPolarHBondContact O-CB 3.33Å; L77-L81 WeakPolarHBondContact O-CG 3.46Å; L77-L81 PolarHBondContact O-N 3Å
78V86.4Confident73.4Confident10 Ų1090.8 Ų90.86%0.06146%0.46CS..Hα-helixtrans-66.4-40.4175.41710000111.5L10 T14 Y22 V74 T75 Q76 Q80 L81 R82L10-V78 HydrophobicContact CD1-CG2 4.39Å; L10-V78 HydrophobicContact CD2-CG2 3.66Å; L10-V78 HydrophobicContact CG-CG2 3.84Å; T14-V78 HydrophobicContact CG2-CB 4.47Å; T14-V78 HydrophobicContact CG2-CG2 4.07Å; Y22-V78 HydrophobicContact CE1-CG1 4.03Å; V74-V78 HydrophobicContact CG1-CG2 4.3Å; V74-V78 VanDerWaalsContact O-CG2 3.32Å; V74-V78 WeakPolarHBondContact O-CG2 3.48Å; V74-V78 PolarHBondContact O-N 3.45Å; T75-V78 PolarHBondContact O-N 2.99Å; Q76-V78 VanDerWaalsContact C-N 3.35Å; Q76-V78 PolarHBondContact O-N 3.36Å; V78-Q80 VanDerWaalsContact C-N 3.32Å; V78-Q80 PolarHBondContact O-N 3.39Å; V78-L81 PolarHBondContact O-N 3.23Å; V78-R82 PolarHBondContact O-N 3.01Å
79K81.5Confident71Confident84 Ų8496.7 Ų96.737%0.36550%0.5SS..Hα-helixtrans-58.9-45.9171.2-73.8175.5-178177.70110.6Y22 T75 Q76 R82 T83Y22-K79 HydrophobicContact CD2-CD 4.38Å; Y22-K79 HydrophobicContact CD2-CG 3.97Å; Y22-K79 HydrophobicContact CE2-CG 4.12Å; Y22-K79 HydrophobicContact CG-CD 4.5Å; Y22-K79 VanDerWaalsContact CG-CE 3.47Å; Y22-K79 HydrophobicContact CG-CG 4.2Å; T75-K79 WeakPolarHBondContact O-CG 3.46Å; T75-K79 PolarHBondContact O-N 3.4Å; Q76-K79 WeakPolarHBondContact O-CB 3.35Å; Q76-K79 PolarHBondContact O-N 3Å; K79-R82 PolarHBondContact O-N 3Å; K79-T83 PolarHBondContact O-N 3.49Å; K79-T83 VanDerWaalsContact O-N 3.13Å; K79-T83 PolarHBondContact O-OG1 3.03Å
80Q74.9Confident68.4Low79 Ų7990.5 Ų90.537%0.36950%0.496SS..Hα-helixtrans-64.7-46178.1-74.8174.2-18.100112.1Q76 L77 V78 R82 T83 E84Q76-Q80 WeakPolarHBondContact O-CG 3.4Å; Q76-Q80 PolarHBondContact O-N 3.49Å; L77-Q80 CarbonylContact O-C 3.58Å; L77-Q80 PolarHBondContact O-N 3.09Å; V78-Q80 VanDerWaalsContact C-N 3.32Å; V78-Q80 PolarHBondContact O-N 3.39Å; Q80-R82 PolarHBondContact O-N 2.97Å; Q80-R82 VanDerWaalsContact O-N 3.16Å; Q80-T83 CarbonylContact O-C 3.43Å; Q80-T83 WeakPolarHBondContact O-CA 3.21Å; Q80-T83 WeakPolarHBondContact O-CB 3.41Å; Q80-T83 PolarHBondContact O-N 2.8Å; Q80-E84 WeakPolarHBondContact O-CB 3.4Å; Q80-E84 WeakPolarHBondContact O-CG 3.32Å; Q80-E84 PolarHBondContact O-N 3.39Å
81L72.7Confident66Low119 Ų11986.6 Ų86.662%0.62350%0.498SS*.Hα-helixtrans-58.6-29.7177.6-79.1167.3000113.6L77 V78L77-L81 WeakPolarHBondContact O-CB 3.33Å; L77-L81 WeakPolarHBondContact O-CG 3.46Å; L77-L81 PolarHBondContact O-N 3Å; V78-L81 PolarHBondContact O-N 3.23Å
82R64.4Low63.8Low127 Ų12792.6 Ų92.648%0.47953%0.525SS..Hα-helixtrans-79.3-27.6171.7-72.3-167.1175.3-145.45.4113.3V78 K79 Q80V78-R82 PolarHBondContact O-N 3.01Å; K79-R82 PolarHBondContact O-N 3Å; Q80-R82 PolarHBondContact O-N 2.97Å; Q80-R82 VanDerWaalsContact O-N 3.16Å
83T59.3Low62Low110 Ų11094.8 Ų94.868%0.67553%0.531SS*.Hα-helixtrans-81.5-32.1177.2-42.80000111K79 Q80 R85K79-T83 PolarHBondContact O-N 3.49Å; K79-T83 VanDerWaalsContact O-N 3.13Å; K79-T83 PolarHBondContact O-OG1 3.03Å; Q80-T83 CarbonylContact O-C 3.43Å; Q80-T83 WeakPolarHBondContact O-CA 3.21Å; Q80-T83 WeakPolarHBondContact O-CB 3.41Å; Q80-T83 PolarHBondContact O-N 2.8Å; T83-R85 PolarHBondContact O-N 3.36Å; T83-R85 VanDerWaalsContact O-N 3.14Å
84E40.8Very low61.1Low138 Ų13892.4 Ų92.465%0.64553%0.528SS*.  trans-87.353.7176.6-65.6-176.2-175.100110.9Q80Q80-E84 WeakPolarHBondContact O-CB 3.4Å; Q80-E84 WeakPolarHBondContact O-CG 3.32Å; Q80-E84 PolarHBondContact O-N 3.39Å
85R37.7Very low60.7Low199 Ų19993.8 Ų93.875%0.75154%0.537SS*.SBendtrans-68.7133.4137.8-78.5-178.5171.6178.3-2.3105.5T83 S87T83-R85 PolarHBondContact O-N 3.36Å; T83-R85 VanDerWaalsContact O-N 3.14Å; R85-S87 PolarHBondContact O-N 3.41Å
86P38.3Very low60.5Low135 Ų13594.1 Ų94.188%0.87754%0.539SS*.  trans-65.590.4-177.123.3-28.7000109.5G88P86-G88 PolarHBondContact O-N 3.24Å
87S38.7Very low60.4Low60 Ų6097.8 Ų97.842%0.4256%0.556SS.*  trans-76.7106.3167.5-67.20000106.1R85 E92R85-S87 PolarHBondContact O-N 3.41Å; S87-E92 PolarHBondContact OG-OE1 3.24Å
88G30.7Very low60.2Low49 Ų4999.4 Ų99.451%0.50556%0.559SS.*  trans-57177.516900000112P86 G90P86-G88 PolarHBondContact O-N 3.24Å; G88-G90 PolarHBondContact O-N 3.16Å
89P44.2Very low60Low152 Ų152102 Ų10299%0.98757%0.57SS**SBendtrans-73.633.7-165.123.1-21.3000115.9
90G38.2Very low60.1Low64 Ų64108.3 Ų108.366%0.6659%0.592SS**SBendtrans-125.988.1163.200000108.2G88 E92G88-G90 PolarHBondContact O-N 3.16Å; G90-E92 PolarHBondContact O-N 2.94Å
91G44.1Very low60.6Low71 Ų71108.7 Ų108.773%0.73259%0.593SS**  trans-49.3128.4-176.700000111.4M93G91-M93 PolarHBondContact O-N 3.01Å
92E47.1Very low61.3Low149 Ų149105 Ų10570%0.69658%0.577SS**  trans-48.3106.7-177-64177.8148.800110.4S87 G90 G94S87-E92 PolarHBondContact OG-OE1 3.24Å; G90-E92 PolarHBondContact O-N 2.94Å; E92-G94 PolarHBondContact O-N 2.83Å
93M55.1Low62.5Low76 Ų76100.4 Ų100.437%0.37456%0.562SS.*PPolyproline II helixtrans-51.9116.5156.5-92.1165.6164.100106G91 V95 P102 K104 E133G91-M93 PolarHBondContact O-N 3.01Å; M93-V95 PolarHBondContact O-N 3.02Å; M93-P102 HydrophobicContact CB-CB 4.47Å; M93-K104 HydrophobicContact CE-CG 4.19Å; M93-K104 HydrophobicContact SD-CG 3.96Å; M93-E133 WeakPolarHBondContact CE-OE1 3.46Å
94G72.9Confident64Low42 Ų42100 Ų10043%0.43355%0.551SS.*PPolyproline II helixtrans-47.8136.5178.200000109.4E92 L103E92-G94 PolarHBondContact O-N 2.83Å; G94-L103 WeakPolarHBondContact O-CB 3.28Å; G94-L103 WeakPolarHBondContact O-CD1 3.42Å; G94-L103 WeakPolarHBondContact O-CG 3.44Å; G94-L103 PolarHBondContact O-N 3.45Å
95V84.1Confident66.4Low93 Ų9395 Ų9556%0.56453%0.528SS*.BIsolated β-bridgetrans-89.1144174.8-70.30000109.5M93 E97 E101M93-V95 PolarHBondContact O-N 3.02Å; V95-E97 PolarHBondContact O-N 2.86Å; V95-E101 CarbonylContact C-O 3.58Å; V95-E101 WeakPolarHBondContact CA-O 3.4Å
96C86.1Confident69.1Low9 Ų986.8 Ų86.86%0.06150%0.497CS..PPolyproline II helixtrans-62.4124.5174175.40000109.9K98 H99 R100 E101 L103 C115C96-K98 PolarHBondContact O-N 2.89Å; C96-H99 HydrophobicContact CB-CB 4.4Å; C96-H99 PolarHBondContact O-N 3.11Å; C96-H99 PolarHBondContact SG-ND1 3.48Å; C96-H99 VanDerWaalsContact SG-ND1 3.44Å; C96-R100 VanDerWaalsContact O-CA 3.27Å; C96-R100 WeakPolarHBondContact O-CA 3.4Å; C96-R100 PolarHBondContact O-N 3.44Å; C96-E101 WeakPolarHBondContact CB-O 3.37Å; C96-E101 PolarHBondContact N-O 3.41Å; C96-L103 HydrophobicContact CB-CD2 3.71Å; C96-L103 HydrophobicContact CB-CG 4.5Å; C96-C115 HydrophobicContact CB-CB 3.75Å; C96-C115 VanDerWaalsContact CB-SG 3.55Å
97E84.4Confident71.7Confident191 Ų19180.4 Ų80.489%0.89346%0.455SS*.THydrogen-bonded Turntrans-58.9-35.8179.6-62.1-175165.400112.7V95V95-E97 PolarHBondContact O-N 2.86Å
98K82.1Confident74.2Confident130 Ų13081.9 Ų81.957%0.56546%0.456SS*.THydrogen-bonded Turntrans-78.1-39.5-177.5-64.7-177.6-177.5175.90113.3C96 E123C96-K98 PolarHBondContact O-N 2.89Å; K98-E123 IonicContact NZ-OE1 2.72Å; K98-E123 PolarHBondContact NZ-OE1 2.93Å; K98-E123 IonicContact NZ-OE2 2.66Å; K98-E123 PolarHBondContact NZ-OE2 3.22Å
99H83.9Confident77.1Confident65 Ų6584.3 Ų84.330%0.30145%0.454SS..THydrogen-bonded Turntrans-113.2-11-168.8-54.5115.8000113.9C96 E101 C115 V117 C118C96-H99 HydrophobicContact CB-CB 4.4Å; C96-H99 PolarHBondContact O-N 3.11Å; C96-H99 PolarHBondContact SG-ND1 3.48Å; C96-H99 VanDerWaalsContact SG-ND1 3.44Å; H99-E101 HydrophobicContact CB-CB 4.42Å; H99-E101 HydrophobicContact CB-CG 4.29Å; H99-E101 PolarHBondContact O-N 3.32Å; H99-C115 PolarHBondContact ND1-SG 3.37Å; H99-C115 VanDerWaalsContact ND1-SG 3.44Å; H99-V117 HydrophobicContact CB-CB 4.05Å; H99-V117 HydrophobicContact CB-CG1 4.41Å; H99-V117 HydrophobicContact CB-CG2 4.31Å; H99-V117 WeakPolarHBondContact CD2-CG1 3.01Å; H99-C118 PolarHBondContact CE1-SG 3.4Å; H99-C118 PolarHBondContact ND1-SG 3.3Å
100R82.8Confident79.2Confident217 Ų21780.3 Ų80.382%0.81942%0.424SS*.  trans55.125.5-174.1-58.4-174.8176.4176.5-1114.4C96C96-R100 VanDerWaalsContact O-CA 3.27Å; C96-R100 WeakPolarHBondContact O-CA 3.4Å; C96-R100 PolarHBondContact O-N 3.44Å
101E84.8Confident81.7Confident86 Ų8684.4 Ų84.440%0.40243%0.426SS..  trans-99.2148174.9-72.6-65.2153.200110.1V95 C96 H99 L103 C115 V117V95-E101 CarbonylContact C-O 3.58Å; V95-E101 WeakPolarHBondContact CA-O 3.4Å; C96-E101 WeakPolarHBondContact CB-O 3.37Å; C96-E101 PolarHBondContact N-O 3.41Å; H99-E101 HydrophobicContact CB-CB 4.42Å; H99-E101 HydrophobicContact CB-CG 4.29Å; H99-E101 PolarHBondContact O-N 3.32Å; E101-L103 PolarHBondContact O-N 3.12Å; E101-C115 HydrophobicContact CB-CB 3.72Å; E101-V117 HydrophobicContact CG-CG2 4.05Å
102P87.4Confident83.9Confident43 Ų4385.4 Ų85.428%0.27941%0.413SS..BIsolated β-bridgetrans-62137.4179.127.5-34.4000111.3M93 K104 C115M93-P102 HydrophobicContact CB-CB 4.47Å; P102-K104 HydrophobicContact CB-CG 4.18Å; P102-K104 HydrophobicContact CG-CD 4.24Å; P102-K104 HydrophobicContact CG-CG 4.33Å; P102-K104 PolarHBondContact O-N 3.41Å; P102-K104 VanDerWaalsContact O-N 3.17Å; P102-C115 WeakPolarHBondContact O-CB 3.48Å
103L90.1Very high86.1Confident30 Ų3080.9 Ų80.916%0.15740%0.396CS..  trans-76.4100.5174.1-60.6172.1000108.6G94 C96 E101 P113 I114 C115 L132G94-L103 WeakPolarHBondContact O-CB 3.28Å; G94-L103 WeakPolarHBondContact O-CD1 3.42Å; G94-L103 WeakPolarHBondContact O-CG 3.44Å; G94-L103 PolarHBondContact O-N 3.45Å; C96-L103 HydrophobicContact CB-CD2 3.71Å; C96-L103 HydrophobicContact CB-CG 4.5Å; E101-L103 PolarHBondContact O-N 3.12Å; L103-P113 HydrophobicContact CB-CB 4.18Å; L103-P113 HydrophobicContact CD1-CB 4.4Å; L103-P113 HydrophobicContact CD1-CG 4.24Å; L103-I114 WeakPolarHBondContact CA-O 3.46Å; L103-I114 VanDerWaalsContact CD2-C 3.41Å; L103-C115 HydrophobicContact CD2-CB 4.28Å; L103-L132 WeakPolarHBondContact O-CD2 3.39Å
104K90.3Very high87.8Confident102 Ų10277.3 Ų77.344%0.44338%0.379SS..  trans-118.2-2.5-177.5-66.9-173.5175.1-1770113.4M93 P102 I114 L132M93-K104 HydrophobicContact CE-CG 4.19Å; M93-K104 HydrophobicContact SD-CG 3.96Å; P102-K104 HydrophobicContact CB-CG 4.18Å; P102-K104 HydrophobicContact CG-CD 4.24Å; P102-K104 HydrophobicContact CG-CG 4.33Å; P102-K104 PolarHBondContact O-N 3.41Å; P102-K104 VanDerWaalsContact O-N 3.17Å; K104-I114 PolarHBondContact N-O 2.64Å; K104-L132 WeakPolarHBondContact O-CB 3.42Å; K104-L132 PolarHBondContact O-N 2.91Å
105L92.2Very high88.8Confident32 Ų3275.3 Ų75.317%0.16836%0.358CS..EExtended strand (participates in β ladder)trans-120.8157.9-178.6-60.4176.9000109.2P113 I114 V116 D119 V129 L130L105-P113 CarbonylContact O-C 3.5Å; L105-P113 WeakPolarHBondContact O-CA 3.44Å; L105-I114 HydrophobicContact CB-CG1 3.8Å; L105-I114 WeakPolarHBondContact CB-O 3.36Å; L105-I114 PolarHBondContact N-O 2.98Å; L105-I114 PolarHBondContact O-N 3.25Å; L105-V116 HydrophobicContact CD1-CG1 4.13Å; L105-D119 HydrophobicContact CD1-CB 3.85Å; L105-V129 HydrophobicContact CB-CG1 3.61Å; L105-V129 HydrophobicContact CD1-CG1 3.92Å; L105-V129 HydrophobicContact CD2-CG1 4.32Å; L105-V129 HydrophobicContact CG-CG1 4.15Å; L105-L130 CarbonylContact C-O 3.42Å; L105-L130 VanDerWaalsContact CA-O 3.3Å; L105-L130 WeakPolarHBondContact CA-O 3.49Å
106Y93.5Very high89.1Confident27 Ų2774.6 Ų74.611%0.10635%0.354CS..EExtended strand (participates in β ladder)trans-126124.7174.2-179.6-96.9000109.1E108 Q111 V129 L130 A135 F139Y106-E108 HydrophobicContact CD1-CG 4.39Å; Y106-E108 HydrophobicContact CE1-CG 4.45Å; Y106-Q111 VanDerWaalsContact CE2-C 3.44Å; Y106-Q111 WeakPolarHBondContact OH-CA 3.1Å; Y106-Q111 WeakPolarHBondContact OH-CB 3.47Å; Y106-V129 WeakPolarHBondContact O-CA 3.03Å; Y106-L130 PolarHBondContact N-O 2.8Å; Y106-L130 PolarHBondContact O-N 3.27Å; Y106-A135 HydrophobicContact CD1-CB 3.77Å; Y106-A135 HydrophobicContact CG-CB 3.71Å; Y106-F139 HydrophobicContact CD1-CE2 4.2Å; Y106-F139 AromaticContact CE1-CE2 3.52Å; Y106-F139 HydrophobicContact CE1-CE2 3.52Å; Y106-F139 AromaticContact CE1-CZ 3.65Å; Y106-F139 HydrophobicContact CE1-CZ 3.65Å; Y106-F139 AromaticContact CE2-CE2 3.99Å; Y106-F139 HydrophobicContact CE2-CE2 3.99Å; Y106-F139 AromaticContact CZ-CE2 3.4Å; Y106-F139 AromaticContact CZ-CZ 3.59Å; Y106-F139 WeakPolarHBondContact OH-CE2 3.06Å; Y106-F139 WeakPolarHBondContact OH-CZ 3.49Å
107C93.3Very high89.3Confident0 Ų077 Ų770%037%0.369CS..EExtended strand (participates in β ladder)trans-87.4120173.4-178.50000109.5D110 Q111 M112 I114 H127C107-D110 HydrophobicContact CB-CB 4.23Å; C107-D110 PolarHBondContact SG-OD2 3.15Å; C107-Q111 VanDerWaalsContact O-CA 3.32Å; C107-Q111 WeakPolarHBondContact O-CA 3.47Å; C107-Q111 PolarHBondContact O-N 2.99Å; C107-M112 PolarHBondContact N-O 2.97Å; C107-M112 PolarHBondContact O-N 3.3Å; C107-I114 HydrophobicContact CB-CD1 4.15Å; C107-I114 HydrophobicContact CB-CG2 4.2Å; C107-H127 VanDerWaalsContact SG-CB 3.57Å; C107-H127 PolarHBondContact SG-ND1 3.12Å; C107-H127 VanDerWaalsContact SG-ND1 3.41Å
108E91.7Very high89.7Confident91 Ų9168.3 Ų68.343%0.42533%0.329SS..THydrogen-bonded Turntrans-69.4-36.4-178.3-64.5-170.8129.300112.9Y106 Q111 S128 L130Y106-E108 HydrophobicContact CD1-CG 4.39Å; Y106-E108 HydrophobicContact CE1-CG 4.45Å; E108-Q111 WeakPolarHBondContact O-CG 3.34Å; E108-S128 PolarHBondContact N-O 2.6Å; E108-S128 WeakPolarHBondContact OE2-CB 3.48Å; E108-S128 PolarHBondContact OE2-OG 3.48Å; E108-L130 HydrophobicContact CG-CD1 4.25Å; E108-L130 WeakPolarHBondContact OE1-CD1 3.37Å
109Q90.8Very high90.1Very high101 Ų10165 Ų6547%0.47232%0.317SS..THydrogen-bonded Turntrans-69.7-43.8-179.6-72.875.94.900111.6Q111 H127 S128Q109-Q111 VanDerWaalsContact C-N 3.35Å; Q109-H127 HydrophobicContact CB-CB 4.43Å; Q109-H127 HydrophobicContact CG-CB 4.37Å; Q109-H127 VanDerWaalsContact OE1-CB 3.27Å; Q109-S128 VanDerWaalsContact CD-N 3.33Å; Q109-S128 VanDerWaalsContact NE2-N 3.17Å; Q109-S128 PolarHBondContact OE1-O 3.25Å
110D88.7Confident90.4Very high68 Ų6872.3 Ų72.336%0.36434%0.342SS..THydrogen-bonded Turntrans-90.4-4.2-178.1-57.3-58.8000112.8C107 M112 H124 H127C107-D110 HydrophobicContact CB-CB 4.23Å; C107-D110 PolarHBondContact SG-OD2 3.15Å; D110-M112 HydrophobicContact CB-CG 3.87Å; D110-M112 HydrophobicContact CB-SD 4.16Å; D110-M112 PolarHBondContact O-N 3.06Å; D110-H124 IonicContact OD2-CE1 3.72Å; D110-H124 PolarHBondContact OD2-CE1 3.34Å; D110-H124 IonicContact OD2-CG 3.91Å; D110-H124 IonicContact OD2-ND1 3.73Å; D110-H124 PolarHBondContact OD2-ND1 3.48Å; D110-H127 IonicContact OD1-CE1 3.83Å; D110-H127 IonicContact OD2-CE1 3.8Å; D110-H127 PolarHBondContact OD2-CE1 3.32Å; D110-H127 IonicContact OD2-ND1 2.92Å; D110-H127 PolarHBondContact OD2-ND1 3.04Å
111Q91.1Very high90.7Very high149 Ų14963.1 Ų63.170%0.69631%0.311SS*.THydrogen-bonded Turntrans50.536.9-179.6-62.2-171.3-4.500114.8Y106 C107 E108 Q109Y106-Q111 VanDerWaalsContact CE2-C 3.44Å; Y106-Q111 WeakPolarHBondContact OH-CA 3.1Å; Y106-Q111 WeakPolarHBondContact OH-CB 3.47Å; C107-Q111 VanDerWaalsContact O-CA 3.32Å; C107-Q111 WeakPolarHBondContact O-CA 3.47Å; C107-Q111 PolarHBondContact O-N 2.99Å; E108-Q111 WeakPolarHBondContact O-CG 3.34Å; Q109-Q111 VanDerWaalsContact C-N 3.35Å
112M90.7Very high90.8Very high93 Ų9370.2 Ų70.246%0.45833%0.334SS..EExtended strand (participates in β ladder)trans-140.1150.3-173.768.3-178.2-59.100112.7C107 D110 I114C107-M112 PolarHBondContact N-O 2.97Å; C107-M112 PolarHBondContact O-N 3.3Å; D110-M112 HydrophobicContact CB-CG 3.87Å; D110-M112 HydrophobicContact CB-SD 4.16Å; D110-M112 PolarHBondContact O-N 3.06Å; M112-I114 HydrophobicContact CG-CG2 4.12Å
113P91.7Very high90.8Very high53 Ų5373.5 Ų73.534%0.34435%0.346SS..EExtended strand (participates in β ladder)trans-70.7136.5172.931-35.1000110.7L103 L105 L132L103-P113 HydrophobicContact CB-CB 4.18Å; L103-P113 HydrophobicContact CD1-CB 4.4Å; L103-P113 HydrophobicContact CD1-CG 4.24Å; L105-P113 CarbonylContact O-C 3.5Å; L105-P113 WeakPolarHBondContact O-CA 3.44Å; P113-L132 HydrophobicContact CB-CD1 3.91Å
114I92.3Very high90.7Very high2 Ų272.7 Ų72.71%0.0134%0.341CS..EExtended strand (participates in β ladder)trans-129.4162.2-179.869.9171.1000110.8L103 K104 L105 C107 M112 C118 D119 H124 V129L103-I114 WeakPolarHBondContact CA-O 3.46Å; L103-I114 VanDerWaalsContact CD2-C 3.41Å; K104-I114 PolarHBondContact N-O 2.64Å; L105-I114 HydrophobicContact CB-CG1 3.8Å; L105-I114 WeakPolarHBondContact CB-O 3.36Å; L105-I114 PolarHBondContact N-O 2.98Å; L105-I114 PolarHBondContact O-N 3.25Å; C107-I114 HydrophobicContact CB-CD1 4.15Å; C107-I114 HydrophobicContact CB-CG2 4.2Å; M112-I114 HydrophobicContact CG-CG2 4.12Å; I114-C118 HydrophobicContact CB-CB 3.79Å; I114-C118 HydrophobicContact CD1-CB 4.32Å; I114-C118 HydrophobicContact CG1-CB 4.45Å; I114-C118 HydrophobicContact CG2-CB 4.43Å; I114-D119 HydrophobicContact CD1-CB 4.06Å; I114-H124 HydrophobicContact CD1-CB 4.25Å; I114-V129 HydrophobicContact CD1-CG1 4.06Å; I114-V129 HydrophobicContact CD1-CG2 4.05Å; I114-V129 HydrophobicContact CG1-CG1 4.42Å
115C92.9Very high90.7Very high0 Ų077.4 Ų77.40%036%0.356CS..  trans-95.5169.2171.2740000111.3C96 H99 E101 P102 L103 V117 C118 D119C96-C115 HydrophobicContact CB-CB 3.75Å; C96-C115 VanDerWaalsContact CB-SG 3.55Å; H99-C115 PolarHBondContact ND1-SG 3.37Å; H99-C115 VanDerWaalsContact ND1-SG 3.44Å; E101-C115 HydrophobicContact CB-CB 3.72Å; P102-C115 WeakPolarHBondContact O-CB 3.48Å; L103-C115 HydrophobicContact CD2-CB 4.28Å; C115-V117 PolarHBondContact O-N 3.04Å; C115-V117 VanDerWaalsContact O-N 3.11Å; C115-C118 WeakPolarHBondContact O-CB 3.38Å; C115-C118 PolarHBondContact O-N 3.29Å; C115-D119 PolarHBondContact O-N 2.97Å; C115-D119 VanDerWaalsContact O-N 3.16Å
116V90.9Very high90.5Very high77 Ų7779.5 Ų79.547%0.46739%0.385SS..Hα-helixtrans-59.5-24179.8-610000114.3L105L105-V116 HydrophobicContact CD1-CG1 4.13Å
117V90.6Very high90.5Very high61 Ų6181.1 Ų81.137%0.3739%0.394SS..Hα-helixtrans-80.9-37.2176.6-172.70000110.9H99 E101 C115 D119 R120 S121H99-V117 HydrophobicContact CB-CB 4.05Å; H99-V117 HydrophobicContact CB-CG1 4.41Å; H99-V117 HydrophobicContact CB-CG2 4.31Å; H99-V117 WeakPolarHBondContact CD2-CG1 3.01Å; E101-V117 HydrophobicContact CG-CG2 4.05Å; C115-V117 PolarHBondContact O-N 3.04Å; C115-V117 VanDerWaalsContact O-N 3.11Å; V117-D119 VanDerWaalsContact C-N 3.34Å; V117-D119 PolarHBondContact O-N 3.48Å; V117-R120 PolarHBondContact O-N 3.11Å; V117-S121 PolarHBondContact O-N 3.5Å; V117-S121 VanDerWaalsContact O-N 3.14Å
118C91.6Very high90.4Very high8 Ų883.2 Ų83.25%0.05441%0.409CS..Hα-helixtrans-62-40.2173.6-77.20000111.9H99 I114 C115 R120 S121 H124H99-C118 PolarHBondContact CE1-SG 3.4Å; H99-C118 PolarHBondContact ND1-SG 3.3Å; I114-C118 HydrophobicContact CB-CB 3.79Å; I114-C118 HydrophobicContact CD1-CB 4.32Å; I114-C118 HydrophobicContact CG1-CB 4.45Å; I114-C118 HydrophobicContact CG2-CB 4.43Å; C115-C118 WeakPolarHBondContact O-CB 3.38Å; C115-C118 PolarHBondContact O-N 3.29Å; C118-R120 VanDerWaalsContact C-N 3.28Å; C118-R120 PolarHBondContact O-N 3.47Å; C118-S121 WeakPolarHBondContact O-CB 3.34Å; C118-S121 PolarHBondContact O-N 3.09Å; C118-S121 PolarHBondContact O-OG 2.96Å; C118-H124 PolarHBondContact O-CD2 2.98Å
119D91.4Very high90.5Very high60 Ų6080.5 Ų80.532%0.32140%0.398SS..Hα-helixtrans-55.9-41.4176.8172.451.6000112.3L105 I114 C115 V117 S121 V129L105-D119 HydrophobicContact CD1-CB 3.85Å; I114-D119 HydrophobicContact CD1-CB 4.06Å; C115-D119 PolarHBondContact O-N 2.97Å; C115-D119 VanDerWaalsContact O-N 3.16Å; V117-D119 VanDerWaalsContact C-N 3.34Å; V117-D119 PolarHBondContact O-N 3.48Å; D119-S121 VanDerWaalsContact C-N 3.31Å; D119-S121 PolarHBondContact O-N 2.87Å; D119-V129 WeakPolarHBondContact OD1-CG2 3.39Å
120R89.8Confident90.5Very high218 Ų21877.9 Ų77.982%0.82339%0.387SS*.THydrogen-bonded Turntrans-80.9-8.2175.1-63.5-175.5179.4-170.90.3114.4V117 C118V117-R120 PolarHBondContact O-N 3.11Å; C118-R120 VanDerWaalsContact C-N 3.28Å; C118-R120 PolarHBondContact O-N 3.47Å
121S89.9Confident90.8Very high25 Ų2577.3 Ų77.318%0.17539%0.387CS..SBendtrans-69.1161.9-178.780.90000110.7V117 C118 D119 E123 R125V117-S121 PolarHBondContact O-N 3.5Å; V117-S121 VanDerWaalsContact O-N 3.14Å; C118-S121 WeakPolarHBondContact O-CB 3.34Å; C118-S121 PolarHBondContact O-N 3.09Å; C118-S121 PolarHBondContact O-OG 2.96Å; D119-S121 VanDerWaalsContact C-N 3.31Å; D119-S121 PolarHBondContact O-N 2.87Å; S121-E123 PolarHBondContact O-N 2.84Å; S121-E123 PolarHBondContact OG-N 2.78Å; S121-R125 WeakPolarHBondContact O-CB 3.41Å; S121-R125 PolarHBondContact O-N 3.22Å
122R87.3Confident90.7Very high235 Ų23572 Ų7289%0.88736%0.363SS*.SBendtrans-62.1-23.9172.5-65.5-177.4-176.4-177.20.8112.6
123E86.2Confident90.6Very high111 Ų11172.2 Ų72.252%0.51936%0.363SS..SBendtrans-70.9-39.4-174.2-63.5177178.900112.1K98 S121K98-E123 IonicContact NZ-OE1 2.72Å; K98-E123 PolarHBondContact NZ-OE1 2.93Å; K98-E123 IonicContact NZ-OE2 2.66Å; K98-E123 PolarHBondContact NZ-OE2 3.22Å; S121-E123 PolarHBondContact O-N 2.84Å; S121-E123 PolarHBondContact OG-N 2.78Å
124H89.1Confident90.6Very high13 Ų1374.7 Ų74.76%0.0637%0.37CS..SBendtrans-108.812.6-179.4-56.9-72.9000112.9D110 I114 C118 G126 H127D110-H124 IonicContact OD2-CE1 3.72Å; D110-H124 PolarHBondContact OD2-CE1 3.34Å; D110-H124 IonicContact OD2-CG 3.91Å; D110-H124 IonicContact OD2-ND1 3.73Å; D110-H124 PolarHBondContact OD2-ND1 3.48Å; I114-H124 HydrophobicContact CD1-CB 4.25Å; C118-H124 PolarHBondContact O-CD2 2.98Å; H124-G126 PolarHBondContact O-N 3.22Å; H124-H127 HydrophobicContact CB-CB 4.49Å; H124-H127 AromaticContact ND1-ND1 3.91Å; H124-H127 WeakPolarHBondContact O-CB 3.47Å; H124-H127 PolarHBondContact O-N 3.31Å
125R89.3Confident90.6Very high201 Ų20175 Ų7576%0.75837%0.373SS*.THydrogen-bonded Turntrans-65.1113.6-173.2-168.2174.8-174.6-176.51.6110.9S121S121-R125 WeakPolarHBondContact O-CB 3.41Å; S121-R125 PolarHBondContact O-N 3.22Å
126G87.6Confident90.5Very high76 Ų7677.8 Ų77.878%0.78439%0.39SS*.THydrogen-bonded Turntrans86.76.4-179.200000114H124H124-G126 PolarHBondContact O-N 3.22Å
127H93.6Very high90.5Very high62 Ų6280.6 Ų80.629%0.28740%0.398SS..  trans-73.1157.3166.9-69.4-173.3000110.4C107 Q109 D110 H124 V129C107-H127 VanDerWaalsContact SG-CB 3.57Å; C107-H127 PolarHBondContact SG-ND1 3.12Å; C107-H127 VanDerWaalsContact SG-ND1 3.41Å; Q109-H127 HydrophobicContact CB-CB 4.43Å; Q109-H127 HydrophobicContact CG-CB 4.37Å; Q109-H127 VanDerWaalsContact OE1-CB 3.27Å; D110-H127 IonicContact OD1-CE1 3.83Å; D110-H127 IonicContact OD2-CE1 3.8Å; D110-H127 PolarHBondContact OD2-CE1 3.32Å; D110-H127 IonicContact OD2-ND1 2.92Å; D110-H127 PolarHBondContact OD2-ND1 3.04Å; H124-H127 HydrophobicContact CB-CB 4.49Å; H124-H127 AromaticContact ND1-ND1 3.91Å; H124-H127 WeakPolarHBondContact O-CB 3.47Å; H124-H127 PolarHBondContact O-N 3.31Å; H127-V129 HydrophobicContact CB-CG2 4.49Å
128S91.9Very high90.6Very high44 Ų4479.1 Ų79.131%0.30839%0.394SS..  trans-81.4120.1173-175.90000107.9E108 Q109E108-S128 PolarHBondContact N-O 2.6Å; E108-S128 WeakPolarHBondContact OE2-CB 3.48Å; E108-S128 PolarHBondContact OE2-OG 3.48Å; Q109-S128 VanDerWaalsContact CD-N 3.33Å; Q109-S128 VanDerWaalsContact NE2-N 3.17Å; Q109-S128 PolarHBondContact OE1-O 3.25Å
129V92.7Very high90.5Very high34 Ų3482.5 Ų82.521%0.20641%0.408CS..EExtended strand (participates in β ladder)trans-127.6124.1-173.1-178.10000108.8L105 Y106 I114 D119 H127L105-V129 HydrophobicContact CB-CG1 3.61Å; L105-V129 HydrophobicContact CD1-CG1 3.92Å; L105-V129 HydrophobicContact CD2-CG1 4.32Å; L105-V129 HydrophobicContact CG-CG1 4.15Å; Y106-V129 WeakPolarHBondContact O-CA 3.03Å; I114-V129 HydrophobicContact CD1-CG1 4.06Å; I114-V129 HydrophobicContact CD1-CG2 4.05Å; I114-V129 HydrophobicContact CG1-CG1 4.42Å; D119-V129 WeakPolarHBondContact OD1-CG2 3.39Å; H127-V129 HydrophobicContact CB-CG2 4.49Å
130L92Very high90.7Very high45 Ų4586 Ų8624%0.23642%0.421CS..EExtended strand (participates in β ladder)trans-113.8155179.7-62.5173.2000110.4L105 Y106 E108 L132L105-L130 CarbonylContact C-O 3.42Å; L105-L130 VanDerWaalsContact CA-O 3.3Å; L105-L130 WeakPolarHBondContact CA-O 3.49Å; Y106-L130 PolarHBondContact N-O 2.8Å; Y106-L130 PolarHBondContact O-N 3.27Å; E108-L130 HydrophobicContact CG-CD1 4.25Å; E108-L130 WeakPolarHBondContact OE1-CD1 3.37Å; L130-L132 PolarHBondContact O-N 3.13Å
131P93.3Very high91Very high56 Ų5681.7 Ų81.736%0.36441%0.41SS..EExtended strand (participates in β ladder)trans-52.3139.6163.8-23.134000110.9E133 E134 A135P131-E133 VanDerWaalsContact C-N 3.25Å; P131-E133 PolarHBondContact O-N 2.98Å; P131-E134 HydrophobicContact CB-CB 4.18Å; P131-E134 WeakPolarHBondContact CD-OE2 3.1Å; P131-E134 HydrophobicContact CG-CB 4.47Å; P131-E134 PolarHBondContact O-N 3.45Å; P131-E134 VanDerWaalsContact O-N 3.14Å; P131-A135 PolarHBondContact O-N 3.16Å
132L89.5Confident91.2Very high38 Ų3886 Ų8620%0.19943%0.428CS..Hα-helixtrans-60.6-38.4-175.5-176.264.2000111.5L103 K104 P113 L130 A135 V136L103-L132 WeakPolarHBondContact O-CD2 3.39Å; K104-L132 WeakPolarHBondContact O-CB 3.42Å; K104-L132 PolarHBondContact O-N 2.91Å; P113-L132 HydrophobicContact CB-CD1 3.91Å; L130-L132 PolarHBondContact O-N 3.13Å; L132-A135 PolarHBondContact O-N 2.89Å; L132-V136 WeakPolarHBondContact O-CB 3.49Å; L132-V136 WeakPolarHBondContact O-CG2 3.47Å; L132-V136 PolarHBondContact O-N 3.39Å
133E88.8Confident91.7Very high97 Ų9779.8 Ų79.845%0.45341%0.411SS..Hα-helixtrans-62.3-43.1177.1-64.474.5-163.100111.8M93 P131 V136 E137M93-E133 WeakPolarHBondContact CE-OE1 3.46Å; P131-E133 VanDerWaalsContact C-N 3.25Å; P131-E133 PolarHBondContact O-N 2.98Å; E133-V136 PolarHBondContact O-N 2.82Å; E133-E137 WeakPolarHBondContact O-CG 3.13Å; E133-E137 PolarHBondContact O-N 3Å
134E92.5Very high92.2Very high106 Ų10678.3 Ų78.350%0.49540%0.404SS..Hα-helixtrans-65.4-43.9177.8-173.9176.9166.800111.3P131 V136 E137 G138P131-E134 HydrophobicContact CB-CB 4.18Å; P131-E134 WeakPolarHBondContact CD-OE2 3.1Å; P131-E134 HydrophobicContact CG-CB 4.47Å; P131-E134 PolarHBondContact O-N 3.45Å; P131-E134 VanDerWaalsContact O-N 3.14Å; E134-V136 VanDerWaalsContact C-N 3.34Å; E134-V136 PolarHBondContact O-N 3.1Å; E134-E137 PolarHBondContact O-N 3.05Å; E134-G138 PolarHBondContact O-N 2.64Å
135A90.8Very high92.6Very high8 Ų882 Ų827%0.06642%0.424CS..Hα-helixtrans-61.8-41.7174.300000111.7Y106 P131 L132 G138 F139Y106-A135 HydrophobicContact CD1-CB 3.77Å; Y106-A135 HydrophobicContact CG-CB 3.71Å; P131-A135 PolarHBondContact O-N 3.16Å; L132-A135 PolarHBondContact O-N 2.89Å; A135-G138 PolarHBondContact O-N 2.94Å; A135-F139 HydrophobicContact CB-CE2 4.38Å; A135-F139 WeakPolarHBondContact O-CD2 3.24Å; A135-F139 WeakPolarHBondContact O-CG 3.49Å; A135-F139 PolarHBondContact O-N 2.98Å
136V90.8Very high93Very high58 Ų5881.2 Ų81.235%0.35242%0.421SS..Hα-helixtrans-63-43176.5166.60000111.4L132 E133 E134 F139 K140L132-V136 WeakPolarHBondContact O-CB 3.49Å; L132-V136 WeakPolarHBondContact O-CG2 3.47Å; L132-V136 PolarHBondContact O-N 3.39Å; E133-V136 PolarHBondContact O-N 2.82Å; E134-V136 VanDerWaalsContact C-N 3.34Å; E134-V136 PolarHBondContact O-N 3.1Å; V136-F139 PolarHBondContact O-N 3.01Å; V136-K140 HydrophobicContact CG1-CD 3.96Å; V136-K140 HydrophobicContact CG1-CG 4.38Å; V136-K140 WeakPolarHBondContact O-CB 3.48Å; V136-K140 WeakPolarHBondContact O-CG 3.42Å; V136-K140 PolarHBondContact O-N 2.81Å
137E92.7Very high93.5Very high137 Ų13780.9 Ų80.964%0.6440%0.401SS*.Hα-helixtrans-62.5-46.4175.7-74.7179.2-176.400111.5E133 E134 F139 K140 E141E133-E137 WeakPolarHBondContact O-CG 3.13Å; E133-E137 PolarHBondContact O-N 3Å; E134-E137 PolarHBondContact O-N 3.05Å; E137-F139 PolarHBondContact O-N 2.85Å; E137-K140 WeakPolarHBondContact O-CB 3.27Å; E137-K140 PolarHBondContact O-N 3.17Å; E137-E141 PolarHBondContact O-N 3.37Å
138G90.8Very high93.7Very high29 Ų2980.3 Ų80.330%0.29940%0.4SS..Hα-helixtrans-60-44.7175.600000113.1E134 A135 E141 Q142E134-G138 PolarHBondContact O-N 2.64Å; A135-G138 PolarHBondContact O-N 2.94Å; G138-E141 PolarHBondContact O-N 3.43Å; G138-Q142 WeakPolarHBondContact O-CG 3.28Å; G138-Q142 PolarHBondContact O-N 3.16Å
139F91.4Very high94Very high79 Ų7982.8 Ų82.835%0.34641%0.407SS..Hα-helixtrans-67.8-37.2175.5-73.3-54.1000112.8Y106 A135 V136 E137 E141 Q142 I143Y106-F139 HydrophobicContact CD1-CE2 4.2Å; Y106-F139 AromaticContact CE1-CE2 3.52Å; Y106-F139 HydrophobicContact CE1-CE2 3.52Å; Y106-F139 AromaticContact CE1-CZ 3.65Å; Y106-F139 HydrophobicContact CE1-CZ 3.65Å; Y106-F139 AromaticContact CE2-CE2 3.99Å; Y106-F139 HydrophobicContact CE2-CE2 3.99Å; Y106-F139 AromaticContact CZ-CE2 3.4Å; Y106-F139 AromaticContact CZ-CZ 3.59Å; Y106-F139 WeakPolarHBondContact OH-CE2 3.06Å; Y106-F139 WeakPolarHBondContact OH-CZ 3.49Å; A135-F139 HydrophobicContact CB-CE2 4.38Å; A135-F139 WeakPolarHBondContact O-CD2 3.24Å; A135-F139 WeakPolarHBondContact O-CG 3.49Å; A135-F139 PolarHBondContact O-N 2.98Å; V136-F139 PolarHBondContact O-N 3.01Å; E137-F139 PolarHBondContact O-N 2.85Å; F139-E141 VanDerWaalsContact C-N 3.31Å; F139-E141 PolarHBondContact O-N 3.04Å; F139-Q142 PolarHBondContact O-N 3.05Å; F139-I143 WeakPolarHBondContact O-CB 3.46Å; F139-I143 VanDerWaalsContact O-CG1 3.22Å; F139-I143 WeakPolarHBondContact O-CG1 3.46Å; F139-I143 PolarHBondContact O-N 3.4Å
140K95.1Very high94.3Very high134 Ų13486.4 Ų86.458%0.58342%0.424SS*.Hα-helixtrans-59.7-44173.4-80.1172.3179172.70110.8V136 E137 I143 Q144V136-K140 HydrophobicContact CG1-CD 3.96Å; V136-K140 HydrophobicContact CG1-CG 4.38Å; V136-K140 WeakPolarHBondContact O-CB 3.48Å; V136-K140 WeakPolarHBondContact O-CG 3.42Å; V136-K140 PolarHBondContact O-N 2.81Å; E137-K140 WeakPolarHBondContact O-CB 3.27Å; E137-K140 PolarHBondContact O-N 3.17Å; K140-I143 PolarHBondContact O-N 3.42Å; K140-Q144 VanDerWaalsContact O-CB 3.29Å; K140-Q144 WeakPolarHBondContact O-CB 3.42Å; K140-Q144 PolarHBondContact O-N 2.8Å
141E95.1Very high94.6Very high127 Ų12790.5 Ų90.559%0.59344%0.437SS*.Hα-helixtrans-63.6-45.6175.9-168.3-172.8172.200111.7E137 G138 F139 I143 Q144 N145E137-E141 PolarHBondContact O-N 3.37Å; G138-E141 PolarHBondContact O-N 3.43Å; F139-E141 VanDerWaalsContact C-N 3.31Å; F139-E141 PolarHBondContact O-N 3.04Å; E141-I143 PolarHBondContact O-N 3.48Å; E141-Q144 WeakPolarHBondContact O-CB 3.38Å; E141-Q144 PolarHBondContact O-N 2.87Å; E141-N145 WeakPolarHBondContact O-CB 3.28Å; E141-N145 PolarHBondContact O-N 2.76Å; E141-N145 PolarHBondContact O-ND2 3.46Å
142Q95.5Very high94.8Very high117 Ų11795.2 Ų95.255%0.54745%0.447SS..Hα-helixtrans-59.7-45176-72.1-179.83200112.2G138 F139 Q144 N145 R146G138-Q142 WeakPolarHBondContact O-CG 3.28Å; G138-Q142 PolarHBondContact O-N 3.16Å; F139-Q142 PolarHBondContact O-N 3.05Å; Q142-Q144 VanDerWaalsContact C-N 3.32Å; Q142-N145 PolarHBondContact O-N 2.88Å; Q142-R146 VanDerWaalsContact O-CG 3.27Å; Q142-R146 WeakPolarHBondContact O-CG 3.36Å; Q142-R146 PolarHBondContact O-N 2.9Å
143I96.8Very high95.2Very high103 Ų10395.8 Ų95.853%0.52845%0.452SS..Hα-helixtrans-61.3-44.5175.7-71.1166.4000109.8F139 K140 E141 N145 R146 L147F139-I143 WeakPolarHBondContact O-CB 3.46Å; F139-I143 VanDerWaalsContact O-CG1 3.22Å; F139-I143 WeakPolarHBondContact O-CG1 3.46Å; F139-I143 PolarHBondContact O-N 3.4Å; K140-I143 PolarHBondContact O-N 3.42Å; E141-I143 PolarHBondContact O-N 3.48Å; I143-N145 PolarHBondContact O-N 3.31Å; I143-R146 PolarHBondContact O-N 3.45Å; I143-L147 HydrophobicContact CG2-CD1 3.88Å; I143-L147 HydrophobicContact CG2-CG 4.22Å; I143-L147 WeakPolarHBondContact O-CB 3.45Å; I143-L147 VanDerWaalsContact O-CG 3.3Å; I143-L147 WeakPolarHBondContact O-CG 3.31Å; I143-L147 PolarHBondContact O-N 2.93Å
144Q97.4Very high95.7Very high81 Ų8197.3 Ų97.338%0.37946%0.457SS..Hα-helixtrans-61-46.6178.7-173.352.850.400111.4K140 E141 Q142 R146 L147 D148K140-Q144 VanDerWaalsContact O-CB 3.29Å; K140-Q144 WeakPolarHBondContact O-CB 3.42Å; K140-Q144 PolarHBondContact O-N 2.8Å; E141-Q144 WeakPolarHBondContact O-CB 3.38Å; E141-Q144 PolarHBondContact O-N 2.87Å; Q142-Q144 VanDerWaalsContact C-N 3.32Å; Q144-R146 VanDerWaalsContact C-N 3.33Å; Q144-R146 PolarHBondContact O-N 3.46Å; Q144-L147 WeakPolarHBondContact O-CB 3.28Å; Q144-L147 PolarHBondContact O-N 2.84Å; Q144-D148 PolarHBondContact NE2-OD1 2.72Å; Q144-D148 PolarHBondContact NE2-OD2 2.96Å; Q144-D148 PolarHBondContact O-N 3.27Å
145N97.4Very high95.9Very high91 Ų9196 Ų9649%0.48745%0.453SS..Hα-helixtrans-58.7-42174.9-76.6-32.3000112.4E141 Q142 I143 D148 H149E141-N145 WeakPolarHBondContact O-CB 3.28Å; E141-N145 PolarHBondContact O-N 2.76Å; E141-N145 PolarHBondContact O-ND2 3.46Å; Q142-N145 PolarHBondContact O-N 2.88Å; I143-N145 PolarHBondContact O-N 3.31Å; N145-D148 PolarHBondContact O-N 3.31Å; N145-H149 PolarHBondContact O-N 2.83Å
146R98Very high96.3Very high183 Ų18399.6 Ų99.669%0.69147%0.471SS*.Hα-helixtrans-66.3-42.9175.3-69-67.5-176.8179.10.6111.7Q142 I143 Q144 D148 H149 L150Q142-R146 VanDerWaalsContact O-CG 3.27Å; Q142-R146 WeakPolarHBondContact O-CG 3.36Å; Q142-R146 PolarHBondContact O-N 2.9Å; I143-R146 PolarHBondContact O-N 3.45Å; Q144-R146 VanDerWaalsContact C-N 3.33Å; Q144-R146 PolarHBondContact O-N 3.46Å; R146-D148 VanDerWaalsContact C-N 3.34Å; R146-D148 PolarHBondContact O-N 3.04Å; R146-H149 PolarHBondContact O-N 2.94Å; R146-L150 WeakPolarHBondContact O-CB 3.48Å; R146-L150 VanDerWaalsContact O-CG 3.26Å; R146-L150 WeakPolarHBondContact O-CG 3.41Å; R146-L150 PolarHBondContact O-N 3Å
147L98.2Very high96.6Very high70 Ų70104 Ų10437%0.36649%0.485SS..Hα-helixtrans-60.6-43.5176.4-74.6173.3000111.3I143 Q144 L150 R151I143-L147 HydrophobicContact CG2-CD1 3.88Å; I143-L147 HydrophobicContact CG2-CG 4.22Å; I143-L147 WeakPolarHBondContact O-CB 3.45Å; I143-L147 VanDerWaalsContact O-CG 3.3Å; I143-L147 WeakPolarHBondContact O-CG 3.31Å; I143-L147 PolarHBondContact O-N 2.93Å; Q144-L147 WeakPolarHBondContact O-CB 3.28Å; Q144-L147 PolarHBondContact O-N 2.84Å; L147-L150 PolarHBondContact O-N 3.36Å; L147-R151 WeakPolarHBondContact O-CB 3.25Å; L147-R151 WeakPolarHBondContact O-CD 3.49Å; L147-R151 WeakPolarHBondContact O-CG 3.47Å; L147-R151 PolarHBondContact O-N 3.19Å
148D97.9Very high96.9Very high50 Ų50103.1 Ų103.127%0.26748%0.48SS..Hα-helixtrans-68.8-38.6-180-67.6-26.9000112.3Q144 N145 R146 R151 R152Q144-D148 PolarHBondContact NE2-OD1 2.72Å; Q144-D148 PolarHBondContact NE2-OD2 2.96Å; Q144-D148 PolarHBondContact O-N 3.27Å; N145-D148 PolarHBondContact O-N 3.31Å; R146-D148 VanDerWaalsContact C-N 3.34Å; R146-D148 PolarHBondContact O-N 3.04Å; D148-R151 PolarHBondContact O-N 3.38Å; D148-R151 IonicContact OD1-NH1 2.65Å; D148-R151 PolarHBondContact OD1-NH1 2.93Å; D148-R152 WeakPolarHBondContact O-CG 3.33Å; D148-R152 PolarHBondContact O-N 2.77Å
149H97.9Very high97.2Very high95 Ų95110.2 Ų110.244%0.4450%0.497SS..Hα-helixtrans-61-48.2170.3176.776000112.1N145 R146 R151 R152 V153N145-H149 PolarHBondContact O-N 2.83Å; R146-H149 PolarHBondContact O-N 2.94Å; H149-R151 VanDerWaalsContact C-N 3.32Å; H149-R151 PolarHBondContact O-N 2.96Å; H149-R152 PolarHBondContact O-N 2.94Å; H149-V153 WeakPolarHBondContact O-CG2 3.39Å; H149-V153 PolarHBondContact O-N 2.89Å
150L98.3Very high97.5Very high110 Ų110114.2 Ų114.258%0.57651%0.51SS*.Hα-helixtrans-63.6-36.5-179.8-72172.6000112.3R146 L147 V153 K154R146-L150 WeakPolarHBondContact O-CB 3.48Å; R146-L150 VanDerWaalsContact O-CG 3.26Å; R146-L150 WeakPolarHBondContact O-CG 3.41Å; R146-L150 PolarHBondContact O-N 3Å; L147-L150 PolarHBondContact O-N 3.36Å; L150-V153 PolarHBondContact O-N 2.89Å; L150-K154 VanDerWaalsContact O-CB 3.29Å; L150-K154 WeakPolarHBondContact O-CB 3.35Å; L150-K154 PolarHBondContact O-N 2.77Å
151R98.2Very high97.7Very high132 Ų132116.3 Ų116.350%0.49851%0.514SS..Hα-helixtrans-61.6-48.7172.3-73.8164.6179.5172-4.9111.1L147 D148 H149 V153 K154 D155L147-R151 WeakPolarHBondContact O-CB 3.25Å; L147-R151 WeakPolarHBondContact O-CD 3.49Å; L147-R151 WeakPolarHBondContact O-CG 3.47Å; L147-R151 PolarHBondContact O-N 3.19Å; D148-R151 PolarHBondContact O-N 3.38Å; D148-R151 IonicContact OD1-NH1 2.65Å; D148-R151 PolarHBondContact OD1-NH1 2.93Å; H149-R151 VanDerWaalsContact C-N 3.32Å; H149-R151 PolarHBondContact O-N 2.96Å; R151-V153 PolarHBondContact O-N 2.89Å; R151-K154 WeakPolarHBondContact O-CB 3.35Å; R151-K154 PolarHBondContact O-N 3.09Å; R151-D155 PolarHBondContact O-N 3.41Å
152R98.1Very high97.8Very high155 Ų155112.8 Ų112.859%0.58551%0.507SS*.Hα-helixtrans-57.9-45175.6-72.2-169.8-65-90.36.5112.5D148 H149 D155 L156D148-R152 WeakPolarHBondContact O-CG 3.33Å; D148-R152 PolarHBondContact O-N 2.77Å; H149-R152 PolarHBondContact O-N 2.94Å; R152-D155 PolarHBondContact O-N 3.26Å; R152-L156 WeakPolarHBondContact O-CB 3.37Å; R152-L156 PolarHBondContact O-N 3.42Å
153V98Very high97.9Very high49 Ų49112.8 Ų112.830%0.29751%0.507SS..Hα-helixtrans-65.7-40.8178172.80000111.6H149 L150 R151 D155 L156 K157H149-V153 WeakPolarHBondContact O-CG2 3.39Å; H149-V153 PolarHBondContact O-N 2.89Å; L150-V153 PolarHBondContact O-N 2.89Å; R151-V153 PolarHBondContact O-N 2.89Å; V153-D155 VanDerWaalsContact C-N 3.32Å; V153-D155 PolarHBondContact O-N 3.04Å; V153-L156 PolarHBondContact O-N 3.01Å; V153-K157 HydrophobicContact CG1-CD 4.46Å; V153-K157 WeakPolarHBondContact O-CG 3.42Å; V153-K157 PolarHBondContact O-N 3.42Å
154K98.1Very high97.9Very high130 Ų130110 Ų11057%0.56550%0.503SS*.Hα-helixtrans-59.2-44.5174.9-179.3-178.1178.1-179.70111L150 R151 K157 K158L150-K154 VanDerWaalsContact O-CB 3.29Å; L150-K154 WeakPolarHBondContact O-CB 3.35Å; L150-K154 PolarHBondContact O-N 2.77Å; R151-K154 WeakPolarHBondContact O-CB 3.35Å; R151-K154 PolarHBondContact O-N 3.09Å; K154-K157 PolarHBondContact O-N 2.99Å; K154-K158 WeakPolarHBondContact O-CG 3.23Å; K154-K158 PolarHBondContact O-N 3.04Å
155D98Very high97.9Very high77 Ų77110.9 Ų110.941%0.41251%0.508SS..Hα-helixtrans-71.2-37.3179.2-66.9-25.9000112.4R151 R152 V153 K157 K158 R159R151-D155 PolarHBondContact O-N 3.41Å; R152-D155 PolarHBondContact O-N 3.26Å; V153-D155 VanDerWaalsContact C-N 3.32Å; V153-D155 PolarHBondContact O-N 3.04Å; D155-K157 PolarHBondContact O-N 2.73Å; D155-K158 PolarHBondContact O-N 2.99Å; D155-K158 IonicContact OD1-NZ 3.12Å; D155-R159 WeakPolarHBondContact O-CG 3.49Å; D155-R159 PolarHBondContact O-N 3.37Å
156L98Very high97.9Very high84 Ų84111.7 Ų111.744%0.4451%0.509SS..Hα-helixtrans-59.8-45.1171.517963.3000111.6R152 V153 K158 R159 R160R152-L156 WeakPolarHBondContact O-CB 3.37Å; R152-L156 PolarHBondContact O-N 3.42Å; V153-L156 PolarHBondContact O-N 3.01Å; L156-K158 VanDerWaalsContact C-N 3.35Å; L156-K158 PolarHBondContact O-N 2.87Å; L156-R159 PolarHBondContact O-N 2.71Å; L156-R160 HydrophobicContact CD1-CG 4.45Å; L156-R160 WeakPolarHBondContact O-CG 3.47Å; L156-R160 PolarHBondContact O-N 3.19Å
157K98Very high97.8Very high150 Ų150105 Ų10565%0.65249%0.492SS*.Hα-helixtrans-63-39.5176.7-75.4-174.9176.6-173.30112.1V153 K154 D155 R160 R161V153-K157 HydrophobicContact CG1-CD 4.46Å; V153-K157 WeakPolarHBondContact O-CG 3.42Å; V153-K157 PolarHBondContact O-N 3.42Å; K154-K157 PolarHBondContact O-N 2.99Å; D155-K157 PolarHBondContact O-N 2.73Å; K157-R160 PolarHBondContact O-N 3.15Å; K157-R161 WeakPolarHBondContact O-CB 3.29Å; K157-R161 PolarHBondContact O-N 2.93Å
158K98.2Very high97.8Very high120 Ų120110 Ų11052%0.52251%0.506SS..Hα-helixtrans-62.2-45.5173.1-74175.3176.7178.90112K154 D155 L156 R161 A162K154-K158 WeakPolarHBondContact O-CG 3.23Å; K154-K158 PolarHBondContact O-N 3.04Å; D155-K158 PolarHBondContact O-N 2.99Å; D155-K158 IonicContact OD1-NZ 3.12Å; L156-K158 VanDerWaalsContact C-N 3.35Å; L156-K158 PolarHBondContact O-N 2.87Å; K158-R161 PolarHBondContact O-N 3.17Å; K158-A162 PolarHBondContact O-N 3.19Å
159R98Very high97.8Very high177 Ų177110.2 Ų110.267%0.66851%0.514SS*.Hα-helixtrans-61.7-45177-72.4177.7-174.2-98.12.9111.8D155 L156 R161 A162 Q163D155-R159 WeakPolarHBondContact O-CG 3.49Å; D155-R159 PolarHBondContact O-N 3.37Å; L156-R159 PolarHBondContact O-N 2.71Å; R159-R161 VanDerWaalsContact C-N 3.34Å; R159-R161 PolarHBondContact O-N 3.44Å; R159-A162 PolarHBondContact O-N 3.27Å; R159-Q163 WeakPolarHBondContact O-CG 3.27Å; R159-Q163 PolarHBondContact O-N 2.83Å
160R97.8Very high97.7Very high164 Ų164110.7 Ų110.762%0.61952%0.517SS*.Hα-helixtrans-62.6-38.3175.9-74.1-175.3175-171.2-1112.7L156 K157 Q163 G164L156-R160 HydrophobicContact CD1-CG 4.45Å; L156-R160 WeakPolarHBondContact O-CG 3.47Å; L156-R160 PolarHBondContact O-N 3.19Å; K157-R160 PolarHBondContact O-N 3.15Å; R160-Q163 PolarHBondContact O-N 3.19Å; R160-G164 PolarHBondContact O-N 3.43Å
161R98Very high97.6Very high177 Ų177109.9 Ų109.967%0.66851%0.513SS*.Hα-helixtrans-62-47.9172.7177.9179.6169.2178.8-2.4111.3K157 K158 R159 Q163 G164 E165K157-R161 WeakPolarHBondContact O-CB 3.29Å; K157-R161 PolarHBondContact O-N 2.93Å; K158-R161 PolarHBondContact O-N 3.17Å; R159-R161 VanDerWaalsContact C-N 3.34Å; R159-R161 PolarHBondContact O-N 3.44Å; R161-Q163 VanDerWaalsContact C-N 3.33Å; R161-Q163 PolarHBondContact O-N 3.16Å; R161-G164 PolarHBondContact O-N 3.34Å; R161-G164 VanDerWaalsContact O-N 3.17Å; R161-E165 IonicContact CZ-OE1 3.2Å; R161-E165 IonicContact NE-OE1 2.79Å; R161-E165 PolarHBondContact NE-OE1 2.93Å; R161-E165 IonicContact NH2-OE1 3.72Å; R161-E165 PolarHBondContact NH2-OE1 2.89Å; R161-E165 VanDerWaalsContact NH2-OE1 3.13Å; R161-E165 WeakPolarHBondContact O-CG 3.2Å; R161-E165 PolarHBondContact O-N 3.37Å
162A97.7Very high97.6Very high54 Ų54108 Ų10845%0.44651%0.512SS..Hα-helixtrans-61.8-40.1177.400000112K158 R159 E165 Q166K158-A162 PolarHBondContact O-N 3.19Å; R159-A162 PolarHBondContact O-N 3.27Å; A162-E165 PolarHBondContact O-N 3.37Å; A162-Q166 WeakPolarHBondContact O-CB 3.44Å; A162-Q166 PolarHBondContact O-N 2.98Å
163Q97.5Very high97.6Very high117 Ų117104.3 Ų104.355%0.54751%0.51SS..Hα-helixtrans-60.7-42.9172.7-74.3171.6-18.200112R159 R160 R161 Q166 A167R159-Q163 WeakPolarHBondContact O-CG 3.27Å; R159-Q163 PolarHBondContact O-N 2.83Å; R160-Q163 PolarHBondContact O-N 3.19Å; R161-Q163 VanDerWaalsContact C-N 3.33Å; R161-Q163 PolarHBondContact O-N 3.16Å; Q163-Q166 PolarHBondContact O-N 3.19Å; Q163-A167 WeakPolarHBondContact O-CB 3.28Å; Q163-A167 PolarHBondContact O-N 3.06Å
164G97.3Very high97.5Very high43 Ų43105.6 Ų105.644%0.44352%0.515SS..Hα-helixtrans-66.2-38.7175.900000113.4R160 R161 R168R160-G164 PolarHBondContact O-N 3.43Å; R161-G164 PolarHBondContact O-N 3.34Å; R161-G164 VanDerWaalsContact O-N 3.17Å; G164-R168 WeakPolarHBondContact O-CB 3.3Å; G164-R168 PolarHBondContact O-N 3.08Å
165E97.6Very high97.4Very high101 Ų101102.1 Ų102.147%0.47251%0.505SS..Hα-helixtrans-65.7-40.2174.4-73.3170.7178.900111.3R161 A162 R168 A169R161-E165 IonicContact CZ-OE1 3.2Å; R161-E165 IonicContact NE-OE1 2.79Å; R161-E165 PolarHBondContact NE-OE1 2.93Å; R161-E165 IonicContact NH2-OE1 3.72Å; R161-E165 PolarHBondContact NH2-OE1 2.89Å; R161-E165 VanDerWaalsContact NH2-OE1 3.13Å; R161-E165 WeakPolarHBondContact O-CG 3.2Å; R161-E165 PolarHBondContact O-N 3.37Å; A162-E165 PolarHBondContact O-N 3.37Å; E165-R168 PolarHBondContact O-N 3.45Å; E165-A169 PolarHBondContact O-N 2.81Å
166Q97.5Very high97.4Very high108 Ų108102.5 Ų102.551%0.50550%0.504SS..Hα-helixtrans-64.5-51174.5-17961.425.200111.9A162 Q163 R168 A169 E170A162-Q166 WeakPolarHBondContact O-CB 3.44Å; A162-Q166 PolarHBondContact O-N 2.98Å; Q163-Q166 PolarHBondContact O-N 3.19Å; Q166-R168 PolarHBondContact O-N 2.76Å; Q166-A169 WeakPolarHBondContact O-CB 3.07Å; Q166-A169 PolarHBondContact O-N 2.67Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.24Å; Q166-E170 PolarHBondContact NE2-OE1 3.29Å; Q166-E170 WeakPolarHBondContact O-CG 3.31Å; Q166-E170 PolarHBondContact O-N 3.36Å
167A96.3Very high97.4Very high42 Ų42103.3 Ų103.335%0.34751%0.507SS..Hα-helixtrans-59.5-36.9177.400000111.9Q163 E170 L171Q163-A167 WeakPolarHBondContact O-CB 3.28Å; Q163-A167 PolarHBondContact O-N 3.06Å; A167-E170 PolarHBondContact O-N 3.19Å; A167-L171 WeakPolarHBondContact O-CB 3.17Å; A167-L171 WeakPolarHBondContact O-CG 3.49Å; A167-L171 PolarHBondContact O-N 3.26Å
168R97.6Very high97.3Very high176 Ų176100.2 Ų100.266%0.66450%0.495SS*.Hα-helixtrans-62.2-45.4172.7178.7-176.2177.1-1710.2111.6G164 E165 Q166 E170 L172G164-R168 WeakPolarHBondContact O-CB 3.3Å; G164-R168 PolarHBondContact O-N 3.08Å; E165-R168 PolarHBondContact O-N 3.45Å; Q166-R168 PolarHBondContact O-N 2.76Å; R168-E170 VanDerWaalsContact C-N 3.35Å; R168-L172 HydrophobicContact CG-CD1 3.99Å; R168-L172 HydrophobicContact CG-CG 4.46Å; R168-L172 WeakPolarHBondContact O-CB 3.14Å; R168-L172 VanDerWaalsContact O-CG 3.27Å; R168-L172 WeakPolarHBondContact O-CG 3.41Å; R168-L172 PolarHBondContact O-N 2.93Å
169A97.4Very high97.3Very high53 Ų53100.8 Ų100.844%0.43849%0.493SS..Hα-helixtrans-63.1-42.5178.800000111.5E165 Q166 L172 S173E165-A169 PolarHBondContact O-N 2.81Å; Q166-A169 WeakPolarHBondContact O-CB 3.07Å; Q166-A169 PolarHBondContact O-N 2.67Å; A169-L172 PolarHBondContact O-N 2.9Å; A169-S173 WeakPolarHBondContact O-CB 3.35Å; A169-S173 PolarHBondContact O-N 3.14Å
170E96.8Very high97.3Very high105 Ų10597.7 Ų97.749%0.49149%0.487SS..Hα-helixtrans-61.7-50176.5-72169.2-170.300112.1Q166 A167 R168 L172 S173 L174Q166-E170 WeakPolarHBondContact CG-OE1 3.24Å; Q166-E170 PolarHBondContact NE2-OE1 3.29Å; Q166-E170 WeakPolarHBondContact O-CG 3.31Å; Q166-E170 PolarHBondContact O-N 3.36Å; A167-E170 PolarHBondContact O-N 3.19Å; R168-E170 VanDerWaalsContact C-N 3.35Å; E170-L172 VanDerWaalsContact C-N 3.34Å; E170-L172 PolarHBondContact O-N 3.49Å; E170-S173 WeakPolarHBondContact O-CB 3.3Å; E170-S173 PolarHBondContact O-N 2.73Å; E170-L174 PolarHBondContact O-N 2.98Å
171L96.5Very high97.3Very high93 Ų9395.5 Ų95.549%0.48748%0.482SS..Hα-helixtrans-61.8-40.8177.5-73.1173000112.1A167 L174 T175 F498A167-L171 WeakPolarHBondContact O-CB 3.17Å; A167-L171 WeakPolarHBondContact O-CG 3.49Å; A167-L171 PolarHBondContact O-N 3.26Å; L171-L174 PolarHBondContact O-N 3.07Å; L171-T175 WeakPolarHBondContact O-CG2 3.22Å; L171-T175 PolarHBondContact O-N 2.89Å; L171-T175 VanDerWaalsContact O-N 3.08Å; L171-F498 HydrophobicContact CD2-CE1 4.26Å
172L97.9Very high97.2Very high92 Ų9291.8 Ų91.848%0.48247%0.474SS..Hα-helixtrans-64.3-42.2175.6-74.8174.4000111.6R168 A169 E170 L174 T175 Q176R168-L172 HydrophobicContact CG-CD1 3.99Å; R168-L172 HydrophobicContact CG-CG 4.46Å; R168-L172 WeakPolarHBondContact O-CB 3.14Å; R168-L172 VanDerWaalsContact O-CG 3.27Å; R168-L172 WeakPolarHBondContact O-CG 3.41Å; R168-L172 PolarHBondContact O-N 2.93Å; A169-L172 PolarHBondContact O-N 2.9Å; E170-L172 VanDerWaalsContact C-N 3.34Å; E170-L172 PolarHBondContact O-N 3.49Å; L172-L174 VanDerWaalsContact C-N 3.32Å; L172-L174 PolarHBondContact O-N 2.9Å; L172-T175 PolarHBondContact O-N 3.43Å; L172-T175 PolarHBondContact O-OG1 3.42Å; L172-Q176 WeakPolarHBondContact O-CB 3.5Å; L172-Q176 PolarHBondContact O-N 3.36Å
173S97.6Very high97.2Very high79 Ų7992.9 Ų92.955%0.55248%0.475SS*.Hα-helixtrans-60.6-41.6175.9-169.20000111.8A169 E170 Q176 M177A169-S173 WeakPolarHBondContact O-CB 3.35Å; A169-S173 PolarHBondContact O-N 3.14Å; E170-S173 WeakPolarHBondContact O-CB 3.3Å; E170-S173 PolarHBondContact O-N 2.73Å; S173-Q176 PolarHBondContact O-N 3.36Å; S173-M177 PolarHBondContact O-N 3.49Å
174L96.8Very high97.2Very high75 Ų7593.8 Ų93.839%0.39347%0.473SS..Hα-helixtrans-61.7-49.3177.2179.460.9000110.7E170 L171 L172 Q176 M177 E178E170-L174 PolarHBondContact O-N 2.98Å; L171-L174 PolarHBondContact O-N 3.07Å; L172-L174 VanDerWaalsContact C-N 3.32Å; L172-L174 PolarHBondContact O-N 2.9Å; L174-Q176 PolarHBondContact O-N 2.79Å; L174-M177 HydrophobicContact CD1-CE 3.85Å; L174-M177 PolarHBondContact O-N 3.16Å; L174-E178 PolarHBondContact O-N 3.18Å; L174-E178 VanDerWaalsContact O-N 3.13Å
175T95.8Very high97.2Very high57 Ų5796.4 Ų96.435%0.3547%0.474SS..Hα-helixtrans-63.7-31.117765.80000112.9L171 L172 R179L171-T175 WeakPolarHBondContact O-CG2 3.22Å; L171-T175 PolarHBondContact O-N 2.89Å; L171-T175 VanDerWaalsContact O-N 3.08Å; L172-T175 PolarHBondContact O-N 3.43Å; L172-T175 PolarHBondContact O-OG1 3.42Å; T175-R179 WeakPolarHBondContact O-CG 3.23Å; T175-R179 PolarHBondContact O-N 3.26Å; T175-R179 PolarHBondContact OG1-NH1 3Å
176Q98Very high97.1Very high85 Ų8595.8 Ų95.840%0.39747%0.47SS..Hα-helixtrans-70.5-43.3178.3-177.35629.300111.6L172 S173 L174 E178 R179 E180L172-Q176 WeakPolarHBondContact O-CB 3.5Å; L172-Q176 PolarHBondContact O-N 3.36Å; S173-Q176 PolarHBondContact O-N 3.36Å; L174-Q176 PolarHBondContact O-N 2.79Å; Q176-E178 VanDerWaalsContact C-N 3.31Å; Q176-E178 PolarHBondContact O-N 3.44Å; Q176-R179 WeakPolarHBondContact O-CB 3.3Å; Q176-R179 PolarHBondContact O-N 2.99Å; Q176-R179 VanDerWaalsContact O-N 3.16Å; Q176-E180 PolarHBondContact NE2-OE1 3.08Å; Q176-E180 PolarHBondContact O-N 2.92Å
177M97.6Very high97.2Very high102 Ų10296 Ų9650%0.50247%0.471SS..Hα-helixtrans-59.1-43173.8-176.8-176.869.200111.6S173 L174 E180 K181S173-M177 PolarHBondContact O-N 3.49Å; L174-M177 HydrophobicContact CD1-CE 3.85Å; L174-M177 PolarHBondContact O-N 3.16Å; M177-E180 PolarHBondContact O-N 3.23Å; M177-K181 PolarHBondContact O-N 3Å
178E95.7Very high97.2Very high85 Ų8598.2 Ų98.240%0.39747%0.474SS..Hα-helixtrans-65.2-37.9175.7-64.2-56.5154.200112.3L174 Q176 K181 I182L174-E178 PolarHBondContact O-N 3.18Å; L174-E178 VanDerWaalsContact O-N 3.13Å; Q176-E178 VanDerWaalsContact C-N 3.31Å; Q176-E178 PolarHBondContact O-N 3.44Å; E178-K181 PolarHBondContact O-N 2.89Å; E178-I182 VanDerWaalsContact O-CG1 3.28Å; E178-I182 WeakPolarHBondContact O-CG1 2.89Å; E178-I182 PolarHBondContact O-N 2.86Å
179R98Very high97.1Very high131 Ų13192.1 Ų92.149%0.49446%0.455SS..Hα-helixtrans-60.5-47.1173.6-76.8-179.3-166.695.89.3111.8T175 Q176 K181 I182 V183T175-R179 WeakPolarHBondContact O-CG 3.23Å; T175-R179 PolarHBondContact O-N 3.26Å; T175-R179 PolarHBondContact OG1-NH1 3Å; Q176-R179 WeakPolarHBondContact O-CB 3.3Å; Q176-R179 PolarHBondContact O-N 2.99Å; Q176-R179 VanDerWaalsContact O-N 3.16Å; R179-K181 VanDerWaalsContact C-N 3.31Å; R179-K181 PolarHBondContact O-N 2.96Å; R179-I182 PolarHBondContact O-N 3.08Å; R179-V183 WeakPolarHBondContact O-CG2 3.36Å; R179-V183 PolarHBondContact O-N 3.34Å
180E98Very high97.1Very high113 Ų11396.7 Ų96.753%0.52846%0.462SS..Hα-helixtrans-62.1-41.4179.4-74.6167.5-163.200111.4Q176 M177 V183 W184Q176-E180 PolarHBondContact NE2-OE1 3.08Å; Q176-E180 PolarHBondContact O-N 2.92Å; M177-E180 PolarHBondContact O-N 3.23Å; E180-V183 PolarHBondContact O-N 2.89Å; E180-W184 VanDerWaalsContact O-CB 3.31Å; E180-W184 WeakPolarHBondContact O-CB 2.96Å; E180-W184 PolarHBondContact O-N 2.81Å
181K97.2Very high97.1Very high118 Ų11896.9 Ų96.951%0.51346%0.462SS..Hα-helixtrans-60.4-47.2174.2-173.3179178.8-177.30112M177 E178 R179 V183 W184 E185M177-K181 PolarHBondContact O-N 3Å; E178-K181 PolarHBondContact O-N 2.89Å; R179-K181 VanDerWaalsContact C-N 3.31Å; R179-K181 PolarHBondContact O-N 2.96Å; K181-V183 PolarHBondContact O-N 3.29Å; K181-W184 PolarHBondContact O-N 2.83Å; K181-E185 HydrophobicContact CG-CG 4.47Å; K181-E185 VanDerWaalsContact O-CG 3.29Å; K181-E185 WeakPolarHBondContact O-CG 3.42Å; K181-E185 PolarHBondContact O-N 2.87Å
182I95.6Very high97.1Very high98 Ų9894.8 Ų94.850%0.50346%0.456SS..Hα-helixtrans-57.5-51.5176.9-68.7164000110.2E178 R179 W184 E185 F186E178-I182 VanDerWaalsContact O-CG1 3.28Å; E178-I182 WeakPolarHBondContact O-CG1 2.89Å; E178-I182 PolarHBondContact O-N 2.86Å; R179-I182 PolarHBondContact O-N 3.08Å; I182-W184 VanDerWaalsContact C-N 3.31Å; I182-W184 PolarHBondContact O-N 2.88Å; I182-E185 PolarHBondContact O-N 3.38Å; I182-F186 HydrophobicContact CG2-CD2 3.87Å; I182-F186 HydrophobicContact CG2-CE2 4.05Å; I182-F186 WeakPolarHBondContact O-CD2 3.29Å; I182-F186 PolarHBondContact O-N 3.1Å; I182-F186 VanDerWaalsContact O-N 3.11Å
183V98.2Very high96.9Very high78 Ų7893.9 Ų93.947%0.47345%0.451SS..Hα-helixtrans-57.4-46.8179.8171.40000110.8R179 E180 K181 E185 F186 E187R179-V183 WeakPolarHBondContact O-CG2 3.36Å; R179-V183 PolarHBondContact O-N 3.34Å; E180-V183 PolarHBondContact O-N 2.89Å; K181-V183 PolarHBondContact O-N 3.29Å; V183-E185 PolarHBondContact O-N 3.02Å; V183-F186 PolarHBondContact O-N 2.86Å; V183-E187 HydrophobicContact CG1-CG 4.25Å; V183-E187 WeakPolarHBondContact O-CG 3.49Å; V183-E187 PolarHBondContact O-N 3.49Å
184W98.4Very high96.9Very high135 Ų13595.9 Ų95.951%0.51145%0.45SS..Hα-helixtrans-59.6-48.8-179.5-176.884.3000112.5E180 K181 I182 F186 E187 Q188E180-W184 VanDerWaalsContact O-CB 3.31Å; E180-W184 WeakPolarHBondContact O-CB 2.96Å; E180-W184 PolarHBondContact O-N 2.81Å; K181-W184 PolarHBondContact O-N 2.83Å; I182-W184 VanDerWaalsContact C-N 3.31Å; I182-W184 PolarHBondContact O-N 2.88Å; W184-F186 VanDerWaalsContact C-N 3.32Å; W184-F186 PolarHBondContact O-N 3.37Å; W184-E187 PolarHBondContact O-N 3.02Å; W184-Q188 HydrophobicContact CD2-CG 4.17Å; W184-Q188 HydrophobicContact CE3-CG 4.34Å; W184-Q188 HydrophobicContact CH2-CG 4.09Å; W184-Q188 HydrophobicContact CZ2-CG 3.9Å; W184-Q188 HydrophobicContact CZ3-CG 4.3Å; W184-Q188 WeakPolarHBondContact O-CG 3.28Å; W184-Q188 PolarHBondContact O-N 3.25Å
185E96.3Very high96.9Very high98 Ų9896 Ų9646%0.45845%0.448SS..Hα-helixtrans-60.4-41.9179.2-65.7-69.7175.100111.6K181 I182 V183 Q188 L189K181-E185 HydrophobicContact CG-CG 4.47Å; K181-E185 VanDerWaalsContact O-CG 3.29Å; K181-E185 WeakPolarHBondContact O-CG 3.42Å; K181-E185 PolarHBondContact O-N 2.87Å; I182-E185 PolarHBondContact O-N 3.38Å; V183-E185 PolarHBondContact O-N 3.02Å; E185-Q188 PolarHBondContact O-N 3.45Å; E185-L189 PolarHBondContact O-N 3.48Å
186F96.8Very high96.7Very high89 Ų8997.8 Ų97.839%0.3945%0.452SS..Hα-helixtrans-69.8-37177.8-87.3-82.6000112.8I182 V183 W184 Q188 L189 Y190I182-F186 HydrophobicContact CG2-CD2 3.87Å; I182-F186 HydrophobicContact CG2-CE2 4.05Å; I182-F186 WeakPolarHBondContact O-CD2 3.29Å; I182-F186 PolarHBondContact O-N 3.1Å; I182-F186 VanDerWaalsContact O-N 3.11Å; V183-F186 PolarHBondContact O-N 2.86Å; W184-F186 VanDerWaalsContact C-N 3.32Å; W184-F186 PolarHBondContact O-N 3.37Å; F186-Q188 VanDerWaalsContact C-N 3.35Å; F186-L189 HydrophobicContact CD1-CD2 4.45Å; F186-L189 PolarHBondContact O-N 3.39Å; F186-Y190 HydrophobicContact CB-CE2 4.2Å; F186-Y190 WeakPolarHBondContact O-CD2 3.11Å; F186-Y190 VanDerWaalsContact O-CG 3.25Å; F186-Y190 PolarHBondContact O-N 2.93Å
187E98Very high96.6Very high111 Ų11198 Ų9852%0.51945%0.453SS..Hα-helixtrans-62.3-42.6173.8-76.4177.4170.900111.6V183 W184 L189 Y190 H191V183-E187 HydrophobicContact CG1-CG 4.25Å; V183-E187 WeakPolarHBondContact O-CG 3.49Å; V183-E187 PolarHBondContact O-N 3.49Å; W184-E187 PolarHBondContact O-N 3.02Å; E187-L189 VanDerWaalsContact C-N 3.33Å; E187-L189 PolarHBondContact O-N 2.86Å; E187-Y190 PolarHBondContact O-N 2.89Å; E187-H191 WeakPolarHBondContact O-CB 3.32Å; E187-H191 PolarHBondContact O-N 2.78Å
188Q97.7Very high96.6Very high89 Ų89101.1 Ų101.142%0.41646%0.461SS..Hα-helixtrans-62.1-42.4174.4-64-45.4-68.500111.4W184 E185 F186 H191 S192W184-Q188 HydrophobicContact CD2-CG 4.17Å; W184-Q188 HydrophobicContact CE3-CG 4.34Å; W184-Q188 HydrophobicContact CH2-CG 4.09Å; W184-Q188 HydrophobicContact CZ2-CG 3.9Å; W184-Q188 HydrophobicContact CZ3-CG 4.3Å; W184-Q188 WeakPolarHBondContact O-CG 3.28Å; W184-Q188 PolarHBondContact O-N 3.25Å; E185-Q188 PolarHBondContact O-N 3.45Å; F186-Q188 VanDerWaalsContact C-N 3.35Å; Q188-H191 PolarHBondContact O-N 2.76Å; Q188-S192 PolarHBondContact O-N 2.72Å
189L95.2Very high96.6Very high49 Ų49103 Ų10326%0.25746%0.464SS..Hα-helixtrans-61.8-48.5175.9179.763.1000111.7E185 F186 E187 H191 S192 L193 F294E185-L189 PolarHBondContact O-N 3.48Å; F186-L189 HydrophobicContact CD1-CD2 4.45Å; F186-L189 PolarHBondContact O-N 3.39Å; E187-L189 VanDerWaalsContact C-N 3.33Å; E187-L189 PolarHBondContact O-N 2.86Å; L189-H191 VanDerWaalsContact C-N 3.31Å; L189-H191 PolarHBondContact O-N 3.44Å; L189-S192 PolarHBondContact O-N 2.87Å; L189-L193 HydrophobicContact CD1-CD1 4.12Å; L189-L193 HydrophobicContact CD1-CG 4.11Å; L189-L193 HydrophobicContact CG-CD1 3.98Å; L189-L193 HydrophobicContact CG-CG 4.36Å; L189-L193 WeakPolarHBondContact O-CB 3.49Å; L189-L193 WeakPolarHBondContact O-CG 3.42Å; L189-L193 PolarHBondContact O-N 2.96Å; L189-F294 HydrophobicContact CD1-CZ 4.2Å; L189-F294 HydrophobicContact CD2-CE1 3.99Å; L189-F294 HydrophobicContact CD2-CZ 3.94Å
190Y96.7Very high96.5Very high148 Ų14899.5 Ų99.558%0.5846%0.455SS*.Hα-helixtrans-60.2-42.1178.4-67.9-38.5000112F186 E187 L193 K194F186-Y190 HydrophobicContact CB-CE2 4.2Å; F186-Y190 WeakPolarHBondContact O-CD2 3.11Å; F186-Y190 VanDerWaalsContact O-CG 3.25Å; F186-Y190 PolarHBondContact O-N 2.93Å; E187-Y190 PolarHBondContact O-N 2.89Å; Y190-L193 PolarHBondContact O-N 3.33Å; Y190-K194 WeakPolarHBondContact O-CB 3.4Å; Y190-K194 PolarHBondContact O-N 3.42Å
191H97.3Very high96.4Very high110 Ų11098.2 Ų98.251%0.50945%0.451SS..Hα-helixtrans-59.7-50.1175.7-177.758.6000111.3E187 Q188 L189 L193 K194 E195E187-H191 WeakPolarHBondContact O-CB 3.32Å; E187-H191 PolarHBondContact O-N 2.78Å; Q188-H191 PolarHBondContact O-N 2.76Å; L189-H191 VanDerWaalsContact C-N 3.31Å; L189-H191 PolarHBondContact O-N 3.44Å; H191-L193 PolarHBondContact O-N 3.38Å; H191-K194 PolarHBondContact O-N 3.1Å; H191-E195 IonicContact CE1-OE1 3.19Å; H191-E195 IonicContact NE2-OE1 3.19Å; H191-E195 PolarHBondContact NE2-OE1 3.19Å; H191-E195 WeakPolarHBondContact O-CG 3.32Å; H191-E195 PolarHBondContact O-N 3.46Å
192S95.3Very high96.5Very high49 Ų4993.9 Ų93.934%0.34344%0.437SS..Hα-helixtrans-60.6-43.9178.6-172.80000112.5Q188 L189 K194 E195 H196Q188-S192 PolarHBondContact O-N 2.72Å; L189-S192 PolarHBondContact O-N 2.87Å; S192-K194 PolarHBondContact O-N 3.11Å; S192-E195 PolarHBondContact O-N 3.05Å; S192-H196 PolarHBondContact O-N 3.44Å; S192-H196 PolarHBondContact O-ND1 3.47Å
193L94.6Very high96.4Very high73 Ų7395.1 Ų95.138%0.38244%0.436SS..Hα-helixtrans-63.8-40.8177.5-70.3177.2000111.8L189 Y190 H191 H196 E197 L291L189-L193 HydrophobicContact CD1-CD1 4.12Å; L189-L193 HydrophobicContact CD1-CG 4.11Å; L189-L193 HydrophobicContact CG-CD1 3.98Å; L189-L193 HydrophobicContact CG-CG 4.36Å; L189-L193 WeakPolarHBondContact O-CB 3.49Å; L189-L193 WeakPolarHBondContact O-CG 3.42Å; L189-L193 PolarHBondContact O-N 2.96Å; Y190-L193 PolarHBondContact O-N 3.33Å; H191-L193 PolarHBondContact O-N 3.38Å; L193-H196 PolarHBondContact O-N 3.45Å; L193-E197 WeakPolarHBondContact O-CB 3.27Å; L193-E197 PolarHBondContact O-N 2.82Å; L193-L291 HydrophobicContact CD2-CD2 4.17Å
194K97Very high96.3Very high121 Ų12194.4 Ų94.453%0.52643%0.429SS..Hα-helixtrans-63.6-41.7177-16973.3-158.6161.50111.9Y190 H191 S192 E197 Y198Y190-K194 WeakPolarHBondContact O-CB 3.4Å; Y190-K194 PolarHBondContact O-N 3.42Å; H191-K194 PolarHBondContact O-N 3.1Å; S192-K194 PolarHBondContact O-N 3.11Å; K194-E197 WeakPolarHBondContact CD-OE2 3.44Å; K194-E197 WeakPolarHBondContact CE-OE2 3.23Å; K194-E197 IonicContact NZ-OE1 2.76Å; K194-E197 PolarHBondContact NZ-OE1 2.83Å; K194-E197 IonicContact NZ-OE2 3.38Å; K194-E197 PolarHBondContact NZ-OE2 2.92Å; K194-E197 PolarHBondContact O-N 2.84Å; K194-Y198 WeakPolarHBondContact O-CB 3.33Å; K194-Y198 PolarHBondContact O-N 3.48Å
195E96.7Very high96.3Very high76 Ų7694.3 Ų94.336%0.35543%0.434SS..Hα-helixtrans-64-41.1174.8-70-166.8147.400112.2H191 S192 Y198 R199H191-E195 IonicContact CE1-OE1 3.19Å; H191-E195 IonicContact NE2-OE1 3.19Å; H191-E195 PolarHBondContact NE2-OE1 3.19Å; H191-E195 WeakPolarHBondContact O-CG 3.32Å; H191-E195 PolarHBondContact O-N 3.46Å; S192-E195 PolarHBondContact O-N 3.05Å; E195-Y198 PolarHBondContact O-N 3.32Å; E195-R199 VanDerWaalsContact O-CG 3.3Å; E195-R199 WeakPolarHBondContact O-CG 3.44Å; E195-R199 PolarHBondContact O-N 3.14Å; E195-R199 IonicContact OE2-CZ 2.67Å; E195-R199 IonicContact OE2-NH1 3.51Å; E195-R199 IonicContact OE2-NH2 3.7Å; E195-R199 PolarHBondContact OE2-NH2 3.5Å
196H93.4Very high96.3Very high96 Ų9694.8 Ų94.844%0.44444%0.436SS..Hα-helixtrans-64.1-43.1176.4-78.384.6000111.9S192 L193 R199 L200S192-H196 PolarHBondContact O-N 3.44Å; S192-H196 PolarHBondContact O-ND1 3.47Å; L193-H196 PolarHBondContact O-N 3.45Å; H196-R199 PolarHBondContact O-N 2.98Å; H196-L200 WeakPolarHBondContact O-CG 3.4Å; H196-L200 PolarHBondContact O-N 2.8Å; H196-L200 VanDerWaalsContact O-N 3.09Å
197E96Very high96.3Very high89 Ų8991 Ų9142%0.41642%0.42SS..Hα-helixtrans-56.1-52.3173.1-175.7-165.2171.600110.8L193 K194 R199 L200 L201L193-E197 WeakPolarHBondContact O-CB 3.27Å; L193-E197 PolarHBondContact O-N 2.82Å; K194-E197 WeakPolarHBondContact CD-OE2 3.44Å; K194-E197 WeakPolarHBondContact CE-OE2 3.23Å; K194-E197 IonicContact NZ-OE1 2.76Å; K194-E197 PolarHBondContact NZ-OE1 2.83Å; K194-E197 IonicContact NZ-OE2 3.38Å; K194-E197 PolarHBondContact NZ-OE2 2.92Å; K194-E197 PolarHBondContact O-N 2.84Å; E197-R199 PolarHBondContact O-N 2.88Å; E197-L200 PolarHBondContact O-N 2.78Å; E197-L201 HydrophobicContact CG-CD1 4.07Å; E197-L201 WeakPolarHBondContact O-CG 3.46Å; E197-L201 PolarHBondContact O-N 3.02Å
198Y97.5Very high96.3Very high168 Ų16890.5 Ų90.566%0.65942%0.421SS*.Hα-helixtrans-56.8-46.3179.4175.4-97000112.4K194 E195 L200 L201 A202K194-Y198 WeakPolarHBondContact O-CB 3.33Å; K194-Y198 PolarHBondContact O-N 3.48Å; E195-Y198 PolarHBondContact O-N 3.32Å; Y198-L200 VanDerWaalsContact C-N 3.33Å; Y198-L200 PolarHBondContact O-N 2.85Å; Y198-L201 PolarHBondContact O-N 2.98Å; Y198-A202 WeakPolarHBondContact O-CB 3.43Å; Y198-A202 PolarHBondContact O-N 2.99Å
199R95.7Very high96.3Very high123 Ų12391.1 Ų91.146%0.46443%0.427SS..Hα-helixtrans-62.1-39.4178.6-70.8177.3-157.9113.43.3112.5E195 H196 E197 R203E195-R199 VanDerWaalsContact O-CG 3.3Å; E195-R199 WeakPolarHBondContact O-CG 3.44Å; E195-R199 PolarHBondContact O-N 3.14Å; E195-R199 IonicContact OE2-CZ 2.67Å; E195-R199 IonicContact OE2-NH1 3.51Å; E195-R199 IonicContact OE2-NH2 3.7Å; E195-R199 PolarHBondContact OE2-NH2 3.5Å; H196-R199 PolarHBondContact O-N 2.98Å; E197-R199 PolarHBondContact O-N 2.88Å; R199-R203 PolarHBondContact O-N 2.87Å
200L95.1Very high96.3Very high58 Ų5890.8 Ų90.830%0.30443%0.431SS..Hα-helixtrans-69.1-41.3179.2-71.7170.9000111.6H196 E197 Y198 R203 L204 F280 L287H196-L200 WeakPolarHBondContact O-CG 3.4Å; H196-L200 PolarHBondContact O-N 2.8Å; H196-L200 VanDerWaalsContact O-N 3.09Å; E197-L200 PolarHBondContact O-N 2.78Å; Y198-L200 VanDerWaalsContact C-N 3.33Å; Y198-L200 PolarHBondContact O-N 2.85Å; L200-R203 PolarHBondContact O-N 2.97Å; L200-L204 PolarHBondContact O-N 3.04Å; L200-F280 HydrophobicContact CB-CZ 4.38Å; L200-F280 HydrophobicContact CD2-CE2 4.31Å; L200-F280 HydrophobicContact CD2-CZ 4.34Å; L200-F280 WeakPolarHBondContact O-CZ 3.34Å; L200-L287 HydrophobicContact CD1-CD2 3.63Å
201L96.9Very high96.3Very high87 Ų8786.1 Ų86.146%0.45542%0.416SS..Hα-helixtrans-65.2-45.7176.5-68.2175.2000111.8E197 Y198 R203 L204 E205E197-L201 HydrophobicContact CG-CD1 4.07Å; E197-L201 WeakPolarHBondContact O-CG 3.46Å; E197-L201 PolarHBondContact O-N 3.02Å; Y198-L201 PolarHBondContact O-N 2.98Å; L201-R203 PolarHBondContact O-N 3.48Å; L201-L204 WeakPolarHBondContact O-CA 3.4Å; L201-L204 WeakPolarHBondContact O-CB 3.17Å; L201-L204 PolarHBondContact O-N 3.01Å; L201-E205 PolarHBondContact O-N 2.86Å
202A97.3Very high96.3Very high27 Ų2787.9 Ų87.922%0.22342%0.419CS..Hα-helixtrans-57.1-36.8175.800000112Y198 L204 E205 E206Y198-A202 WeakPolarHBondContact O-CB 3.43Å; Y198-A202 PolarHBondContact O-N 2.99Å; A202-L204 VanDerWaalsContact C-N 3.34Å; A202-L204 PolarHBondContact O-N 3.48Å; A202-E205 PolarHBondContact O-N 2.94Å; A202-E206 WeakPolarHBondContact O-CG 3.42Å; A202-E206 PolarHBondContact O-N 3.37Å; A202-E206 VanDerWaalsContact O-N 3.12Å
203R95Very high96.3Very high124 Ų12489.9 Ų89.947%0.46843%0.426SS..Hα-helixtrans-70.1-29176.8-172.255.1176.9-173.51.8113.3R199 L200 L201 E206 L207 F280R199-R203 PolarHBondContact O-N 2.87Å; L200-R203 PolarHBondContact O-N 2.97Å; L201-R203 PolarHBondContact O-N 3.48Å; R203-E206 WeakPolarHBondContact CD-OE2 3.44Å; R203-E206 IonicContact CZ-OE2 3.01Å; R203-E206 IonicContact NE-OE2 3.02Å; R203-E206 IonicContact NH1-OE2 3.2Å; R203-E206 PolarHBondContact NH1-OE2 3.08Å; R203-L207 WeakPolarHBondContact O-CG 3.48Å; R203-L207 PolarHBondContact O-N 2.9Å; R203-F280 HydrophobicContact CB-CE2 4.17Å; R203-F280 HydrophobicContact CG-CD2 4.34Å; R203-F280 HydrophobicContact CG-CE2 4.17Å
204L96.1Very high96.3Very high62 Ų6288 Ų8833%0.32542%0.418SS..Hα-helixtrans-70-42170.8-79.4169.2000111.3L200 L201 A202 E206 L207 D208 F280L200-L204 PolarHBondContact O-N 3.04Å; L201-L204 WeakPolarHBondContact O-CA 3.4Å; L201-L204 WeakPolarHBondContact O-CB 3.17Å; L201-L204 PolarHBondContact O-N 3.01Å; A202-L204 VanDerWaalsContact C-N 3.34Å; A202-L204 PolarHBondContact O-N 3.48Å; L204-E206 VanDerWaalsContact C-N 3.26Å; L204-E206 PolarHBondContact O-N 3.2Å; L204-L207 HydrophobicContact CD2-CD1 4.48Å; L204-L207 CarbonylContact O-C 3.56Å; L204-L207 WeakPolarHBondContact O-CA 3.3Å; L204-L207 WeakPolarHBondContact O-CB 3.44Å; L204-L207 PolarHBondContact O-N 2.86Å; L204-D208 PolarHBondContact O-N 3.13Å; L204-F280 HydrophobicContact CD1-CE1 3.61Å; L204-F280 HydrophobicContact CD1-CZ 3.78Å; L204-F280 HydrophobicContact CD2-CD1 3.62Å; L204-F280 HydrophobicContact CD2-CE1 3.47Å; L204-F280 VanDerWaalsContact CD2-CE1 3.47Å; L204-F280 HydrophobicContact CD2-CE2 4.39Å; L204-F280 HydrophobicContact CD2-CG 4.17Å; L204-F280 HydrophobicContact CD2-CZ 3.89Å; L204-F280 HydrophobicContact CG-CD1 4.14Å; L204-F280 HydrophobicContact CG-CE1 3.47Å; L204-F280 VanDerWaalsContact CG-CE1 3.47Å; L204-F280 HydrophobicContact CG-CE2 4.08Å; L204-F280 HydrophobicContact CG-CZ 3.44Å; L204-F280 VanDerWaalsContact CG-CZ 3.44Å
205E97.7Very high96.3Very high134 Ų13485.2 Ų85.263%0.62641%0.409SS*.Hα-helixtrans-58.9-38.8176.1-67176.2176.700111.8L201 A202 L207 D208 L209L201-E205 PolarHBondContact O-N 2.86Å; A202-E205 PolarHBondContact O-N 2.94Å; E205-L207 VanDerWaalsContact C-N 3.33Å; E205-L207 PolarHBondContact O-N 2.86Å; E205-D208 PolarHBondContact O-N 2.9Å; E205-L209 WeakPolarHBondContact O-CB 3.32Å; E205-L209 PolarHBondContact O-N 3.41Å
206E96.6Very high96.3Very high107 Ų10784 Ų8450%0.541%0.405SS..Hα-helixtrans-63.3-37.2172.9-70.5174.6177.900112.7A202 R203 L204 A210A202-E206 WeakPolarHBondContact O-CG 3.42Å; A202-E206 PolarHBondContact O-N 3.37Å; A202-E206 VanDerWaalsContact O-N 3.12Å; R203-E206 WeakPolarHBondContact CD-OE2 3.44Å; R203-E206 IonicContact CZ-OE2 3.01Å; R203-E206 IonicContact NE-OE2 3.02Å; R203-E206 IonicContact NH1-OE2 3.2Å; R203-E206 PolarHBondContact NH1-OE2 3.08Å; L204-E206 VanDerWaalsContact C-N 3.26Å; L204-E206 PolarHBondContact O-N 3.2Å; E206-A210 WeakPolarHBondContact O-CB 3.45Å; E206-A210 PolarHBondContact O-N 2.99Å
207L96.4Very high96.3Very high11 Ų1181.5 Ų81.56%0.05841%0.405CS..Hα-helixtrans-71.1-41.4175.9-72.7172.1000111.6R203 L204 E205 L209 A210 I211 K276 F280R203-L207 WeakPolarHBondContact O-CG 3.48Å; R203-L207 PolarHBondContact O-N 2.9Å; L204-L207 HydrophobicContact CD2-CD1 4.48Å; L204-L207 CarbonylContact O-C 3.56Å; L204-L207 WeakPolarHBondContact O-CA 3.3Å; L204-L207 WeakPolarHBondContact O-CB 3.44Å; L204-L207 PolarHBondContact O-N 2.86Å; E205-L207 VanDerWaalsContact C-N 3.33Å; E205-L207 PolarHBondContact O-N 2.86Å; L207-L209 VanDerWaalsContact C-N 3.3Å; L207-L209 PolarHBondContact O-N 3.39Å; L207-A210 WeakPolarHBondContact O-CB 3.46Å; L207-A210 PolarHBondContact O-N 3.09Å; L207-A210 VanDerWaalsContact O-N 3.11Å; L207-I211 VanDerWaalsContact O-CG1 3.28Å; L207-I211 WeakPolarHBondContact O-CG1 3.3Å; L207-I211 PolarHBondContact O-N 3.41Å; L207-K276 HydrophobicContact CD2-CB 3.73Å; L207-K276 HydrophobicContact CD2-CD 4.16Å; L207-K276 HydrophobicContact CD2-CG 4.44Å; L207-F280 HydrophobicContact CD1-CB 4.27Å; L207-F280 HydrophobicContact CD1-CD2 4.37Å; L207-F280 HydrophobicContact CD1-CG 4.39Å
208D97.5Very high96.2Very high99 Ų9977.8 Ų77.853%0.52939%0.389SS..Hα-helixtrans-59.1-44.5175.3-71.6-21.3000110.8L204 E205 A210 I211 Y212L204-D208 PolarHBondContact O-N 3.13Å; E205-D208 PolarHBondContact O-N 2.9Å; D208-A210 VanDerWaalsContact C-N 3.33Å; D208-A210 PolarHBondContact O-N 3.35Å; D208-I211 PolarHBondContact O-N 3.25Å; D208-Y212 WeakPolarHBondContact O-CB 3.35Å; D208-Y212 PolarHBondContact O-N 2.76Å
209L97.7Very high96.1Very high103 Ų10373.9 Ų73.954%0.53938%0.379SS..Hα-helixtrans-62.8-39.3174.9-175.461.8000112E205 L207 Y212 N213E205-L209 WeakPolarHBondContact O-CB 3.32Å; E205-L209 PolarHBondContact O-N 3.41Å; L207-L209 VanDerWaalsContact C-N 3.3Å; L207-L209 PolarHBondContact O-N 3.39Å; L209-Y212 PolarHBondContact O-N 2.77Å; L209-N213 WeakPolarHBondContact O-CB 3.5Å; L209-N213 PolarHBondContact O-N 3.42Å; L209-N213 PolarHBondContact O-ND2 2.85Å; L209-N213 VanDerWaalsContact O-ND2 3.15Å
210A96.3Very high96.2Very high42 Ų4272.1 Ų72.135%0.34738%0.382SS..Hα-helixtrans-65.8-41.6176.300000112.4E206 L207 D208 S214 L273E206-A210 WeakPolarHBondContact O-CB 3.45Å; E206-A210 PolarHBondContact O-N 2.99Å; L207-A210 WeakPolarHBondContact O-CB 3.46Å; L207-A210 PolarHBondContact O-N 3.09Å; L207-A210 VanDerWaalsContact O-N 3.11Å; D208-A210 VanDerWaalsContact C-N 3.33Å; D208-A210 PolarHBondContact O-N 3.35Å; A210-S214 WeakPolarHBondContact O-CB 3.39Å; A210-S214 PolarHBondContact O-N 3.38Å; A210-L273 HydrophobicContact CB-CD1 4.07Å
211I96.2Very high96.1Very high50 Ų5075.1 Ų75.126%0.25639%0.394SS..Hα-helixtrans-60.4-51.3174.2-67.4162.5000109.8L207 D208 N213 S214 I215 L273 I277L207-I211 VanDerWaalsContact O-CG1 3.28Å; L207-I211 WeakPolarHBondContact O-CG1 3.3Å; L207-I211 PolarHBondContact O-N 3.41Å; D208-I211 PolarHBondContact O-N 3.25Å; I211-N213 VanDerWaalsContact C-N 3.34Å; I211-N213 PolarHBondContact O-N 3.41Å; I211-S214 PolarHBondContact O-N 2.83Å; I211-I215 HydrophobicContact CG2-CD1 3.74Å; I211-I215 WeakPolarHBondContact O-CG1 3.48Å; I211-I215 PolarHBondContact O-N 3.23Å; I211-L273 HydrophobicContact CB-CD2 4.48Å; I211-L273 HydrophobicContact CG1-CD1 4.02Å; I211-L273 HydrophobicContact CG1-CD2 3.87Å; I211-L273 HydrophobicContact CG1-CG 4.23Å; I211-I277 HydrophobicContact CD1-CD1 4.1Å; I211-I277 HydrophobicContact CG1-CD1 4.49Å
212Y96.7Very high96Very high146 Ų14674.1 Ų74.157%0.57339%0.386SS*.Hα-helixtrans-55.8-48.1179.6177.3-96000111.8D208 L209 I215 N216D208-Y212 WeakPolarHBondContact O-CB 3.35Å; D208-Y212 PolarHBondContact O-N 2.76Å; L209-Y212 PolarHBondContact O-N 2.77Å; Y212-I215 PolarHBondContact O-N 3.01Å; Y212-N216 WeakPolarHBondContact CD1-ND2 3.49Å; Y212-N216 VanDerWaalsContact CD2-ND2 3.34Å; Y212-N216 WeakPolarHBondContact CD2-ND2 3.19Å; Y212-N216 WeakPolarHBondContact CE1-ND2 3.49Å; Y212-N216 WeakPolarHBondContact CE2-ND2 3.35Å; Y212-N216 WeakPolarHBondContact O-CB 3.46Å; Y212-N216 PolarHBondContact O-N 3.49Å; Y212-N216 PolarHBondContact O-ND2 3.01Å; Y212-N216 VanDerWaalsContact O-ND2 3.12Å; Y212-N216 PolarHBondContact OH-ND2 2.95Å
213N96.4Very high95.9Very high91 Ų9175.6 Ų75.649%0.48740%0.395SS..Hα-helixtrans-65.6-39.6179.7-71.6-26.5000112.5L209 I211 G217L209-N213 WeakPolarHBondContact O-CB 3.5Å; L209-N213 PolarHBondContact O-N 3.42Å; L209-N213 PolarHBondContact O-ND2 2.85Å; L209-N213 VanDerWaalsContact O-ND2 3.15Å; I211-N213 VanDerWaalsContact C-N 3.34Å; I211-N213 PolarHBondContact O-N 3.41Å; N213-G217 PolarHBondContact O-N 3.47Å
214S95Very high95.9Very high33 Ų3373.4 Ų73.423%0.23140%0.398CS..Hα-helixtrans-64-46.1178-176.20000111.9A210 I211 A218A210-S214 WeakPolarHBondContact O-CB 3.39Å; A210-S214 PolarHBondContact O-N 3.38Å; I211-S214 PolarHBondContact O-N 2.83Å; S214-A218 PolarHBondContact O-N 2.97Å
215I95Very high95.7Very high64 Ų6472.9 Ų72.933%0.32840%0.395SS..Hα-helixtrans-67.9-45.9-179.9-68173.4000110.8I211 Y212 G217 A218 I219 W267I211-I215 HydrophobicContact CG2-CD1 3.74Å; I211-I215 WeakPolarHBondContact O-CG1 3.48Å; I211-I215 PolarHBondContact O-N 3.23Å; Y212-I215 PolarHBondContact O-N 3.01Å; I215-G217 VanDerWaalsContact C-N 3.32Å; I215-G217 PolarHBondContact O-N 3.43Å; I215-A218 WeakPolarHBondContact O-CB 3.29Å; I215-A218 PolarHBondContact O-N 2.96Å; I215-A218 VanDerWaalsContact O-N 3.12Å; I215-I219 HydrophobicContact CG2-CD1 3.73Å; I215-I219 HydrophobicContact CG2-CG1 4.26Å; I215-I219 WeakPolarHBondContact O-CG1 3.44Å; I215-I219 PolarHBondContact O-N 3.41Å; I215-W267 HydrophobicContact CD1-CH2 4.5Å; I215-W267 HydrophobicContact CG1-CH2 4.06Å; I215-W267 HydrophobicContact CG1-CZ2 3.86Å
216N96.7Very high95.5Very high51 Ų5171.4 Ų71.427%0.27339%0.391SS..Hα-helixtrans-66.5-33.8179.9-75.6-37.5000113.2Y212 A218 I219 T220Y212-N216 WeakPolarHBondContact CD1-ND2 3.49Å; Y212-N216 VanDerWaalsContact CD2-ND2 3.34Å; Y212-N216 WeakPolarHBondContact CD2-ND2 3.19Å; Y212-N216 WeakPolarHBondContact CE1-ND2 3.49Å; Y212-N216 WeakPolarHBondContact CE2-ND2 3.35Å; Y212-N216 WeakPolarHBondContact O-CB 3.46Å; Y212-N216 PolarHBondContact O-N 3.49Å; Y212-N216 PolarHBondContact O-ND2 3.01Å; Y212-N216 VanDerWaalsContact O-ND2 3.12Å; Y212-N216 PolarHBondContact OH-ND2 2.95Å; N216-A218 VanDerWaalsContact C-N 3.32Å; N216-I219 PolarHBondContact O-N 2.6Å; N216-T220 WeakPolarHBondContact O-CB 3.37Å; N216-T220 PolarHBondContact O-N 3.4Å; N216-T220 PolarHBondContact O-OG1 2.84Å
217G94.8Very high95.5Very high43 Ų4370.3 Ų70.344%0.44340%0.395SS..Hα-helixtrans-58.2-45.8170.300000111.6N213 I215 T220 Q221N213-G217 PolarHBondContact O-N 3.47Å; I215-G217 VanDerWaalsContact C-N 3.32Å; I215-G217 PolarHBondContact O-N 3.43Å; G217-T220 PolarHBondContact O-N 2.77Å; G217-Q221 PolarHBondContact O-N 2.95Å
218A94Very high95.3Very high10 Ų1075.7 Ų75.78%0.08342%0.42CS..Hα-helixtrans-66.7-44.4177.600000113S214 I215 N216 T220 Q221 F222 W267S214-A218 PolarHBondContact O-N 2.97Å; I215-A218 WeakPolarHBondContact O-CB 3.29Å; I215-A218 PolarHBondContact O-N 2.96Å; I215-A218 VanDerWaalsContact O-N 3.12Å; N216-A218 VanDerWaalsContact C-N 3.32Å; A218-T220 VanDerWaalsContact C-N 3.27Å; A218-T220 PolarHBondContact O-N 3.16Å; A218-Q221 PolarHBondContact O-N 2.92Å; A218-F222 HydrophobicContact CB-CE2 4.16Å; A218-F222 WeakPolarHBondContact O-CD2 3.08Å; A218-F222 WeakPolarHBondContact O-CG 3.36Å; A218-F222 PolarHBondContact O-N 2.79Å; A218-W267 HydrophobicContact CB-CB 4.35Å; A218-W267 HydrophobicContact CB-CG 3.92Å
219I95.7Very high95.1Very high86 Ų8673.8 Ų73.844%0.44141%0.409SS..Hα-helixtrans-57.2-43.3175.1-70.3171.3000110.7I215 N216 F222 S223I215-I219 HydrophobicContact CG2-CD1 3.73Å; I215-I219 HydrophobicContact CG2-CG1 4.26Å; I215-I219 WeakPolarHBondContact O-CG1 3.44Å; I215-I219 PolarHBondContact O-N 3.41Å; N216-I219 PolarHBondContact O-N 2.6Å; I219-F222 PolarHBondContact O-N 2.9Å; I219-S223 WeakPolarHBondContact O-CB 3.46Å; I219-S223 PolarHBondContact O-N 2.86Å; I219-S223 PolarHBondContact O-OG 3.42Å
220T96.2Very high95Very high86 Ų8672 Ų7253%0.52841%0.405SS..Hα-helixtrans-62.7-45.8177.6-57.20000111N216 G217 A218 F222 S223 C224N216-T220 WeakPolarHBondContact O-CB 3.37Å; N216-T220 PolarHBondContact O-N 3.4Å; N216-T220 PolarHBondContact O-OG1 2.84Å; G217-T220 PolarHBondContact O-N 2.77Å; A218-T220 VanDerWaalsContact C-N 3.27Å; A218-T220 PolarHBondContact O-N 3.16Å; T220-F222 PolarHBondContact O-N 2.84Å; T220-S223 PolarHBondContact O-N 2.82Å; T220-C224 PolarHBondContact O-N 3.39Å; T220-C224 PolarHBondContact O-SG 3.5Å; T220-C224 VanDerWaalsContact O-SG 3.39Å
221Q93.9Very high94.9Very high121 Ų12171.5 Ų71.557%0.56540%0.404SS*.Hα-helixtrans-61.3-45.3177.6-174.1-178.23.600112.2G217 A218 S223 C224 N225G217-Q221 PolarHBondContact O-N 2.95Å; A218-Q221 PolarHBondContact O-N 2.92Å; Q221-S223 VanDerWaalsContact C-N 3.34Å; Q221-C224 PolarHBondContact O-N 2.74Å; Q221-N225 PolarHBondContact O-N 2.81Å
222F94.6Very high94.8Very high66 Ų6669.8 Ų69.829%0.28940%0.396SS..Hα-helixtrans-65.3-38.8176.9-65.7-46000112.2A218 I219 T220 C224 N225 I226 P264 W267A218-F222 HydrophobicContact CB-CE2 4.16Å; A218-F222 WeakPolarHBondContact O-CD2 3.08Å; A218-F222 WeakPolarHBondContact O-CG 3.36Å; A218-F222 PolarHBondContact O-N 2.79Å; I219-F222 PolarHBondContact O-N 2.9Å; T220-F222 PolarHBondContact O-N 2.84Å; F222-C224 VanDerWaalsContact C-N 3.35Å; F222-C224 PolarHBondContact O-N 3.03Å; F222-N225 PolarHBondContact O-N 3.45Å; F222-I226 VanDerWaalsContact O-CG1 3.31Å; F222-I226 WeakPolarHBondContact O-CG1 3.38Å; F222-I226 PolarHBondContact O-N 3.22Å; F222-P264 HydrophobicContact CD1-CB 4.43Å; F222-P264 HydrophobicContact CE1-CB 4.21Å; F222-W267 HydrophobicContact CE2-CB 3.8Å; F222-W267 HydrophobicContact CZ-CB 3.89Å
223S95.7Very high94.7Very high58 Ų5867.1 Ų67.141%0.40639%0.39SS..Hα-helixtrans-60.3-44.3175.8-59.30000111.4I219 T220 Q221 N225 I226 S227I219-S223 WeakPolarHBondContact O-CB 3.46Å; I219-S223 PolarHBondContact O-N 2.86Å; I219-S223 PolarHBondContact O-OG 3.42Å; T220-S223 PolarHBondContact O-N 2.82Å; Q221-S223 VanDerWaalsContact C-N 3.34Å; S223-N225 PolarHBondContact O-N 2.81Å; S223-I226 PolarHBondContact O-N 3.4Å; S223-S227 PolarHBondContact O-N 3.05Å; S223-S227 PolarHBondContact O-OG 3.21Å
224C93.9Very high94.6Very high79 Ų7965.2 Ų65.253%0.53439%0.387SS..Hα-helixtrans-61.9-41.4174.4-67.20000112.6T220 Q221 F222 S227 H228T220-C224 PolarHBondContact O-N 3.39Å; T220-C224 PolarHBondContact O-SG 3.5Å; T220-C224 VanDerWaalsContact O-SG 3.39Å; Q221-C224 PolarHBondContact O-N 2.74Å; F222-C224 VanDerWaalsContact C-N 3.35Å; F222-C224 PolarHBondContact O-N 3.03Å; C224-S227 PolarHBondContact O-N 2.76Å; C224-H228 PolarHBondContact O-N 2.88Å
225N92.5Very high94.5Very high50 Ų5067.1 Ų67.127%0.26739%0.392SS..Hα-helixtrans-64.1-43.1176.7-72.6-18.8000111.7Q221 F222 S223 H228 L229 P264Q221-N225 PolarHBondContact O-N 2.81Å; F222-N225 PolarHBondContact O-N 3.45Å; S223-N225 PolarHBondContact O-N 2.81Å; N225-H228 PolarHBondContact O-N 3.05Å; N225-L229 VanDerWaalsContact O-CG 3.3Å; N225-L229 WeakPolarHBondContact O-CG 3.42Å; N225-L229 PolarHBondContact O-N 2.85Å; N225-P264 HydrophobicContact CB-CG 4.22Å; N225-P264 WeakPolarHBondContact ND2-CG 3.35Å
226I94.2Very high94.5Very high104 Ų10466.9 Ų66.953%0.53339%0.391SS..Hα-helixtrans-60.3-47.2175.2-69.8166.4000110F222 S223 H228 L229 S230F222-I226 VanDerWaalsContact O-CG1 3.31Å; F222-I226 WeakPolarHBondContact O-CG1 3.38Å; F222-I226 PolarHBondContact O-N 3.22Å; S223-I226 PolarHBondContact O-N 3.4Å; I226-H228 VanDerWaalsContact C-N 3.33Å; I226-H228 PolarHBondContact O-N 3.42Å; I226-L229 PolarHBondContact O-N 3.05Å; I226-S230 WeakPolarHBondContact O-CB 3.37Å; I226-S230 PolarHBondContact O-N 3.27Å; I226-S230 PolarHBondContact O-OG 2.72Å; I226-S230 VanDerWaalsContact O-OG 3.07Å
227S95.7Very high94.4Very high84 Ų8470 Ų7059%0.58741%0.405SS*.Hα-helixtrans-60.4-40.3177.1-60.80000112.8S223 C224 G231S223-S227 PolarHBondContact O-N 3.05Å; S223-S227 PolarHBondContact O-OG 3.21Å; C224-S227 PolarHBondContact O-N 2.76Å; S227-G231 PolarHBondContact O-N 3.03Å
228H92.7Very high94.4Very high123 Ų12373.9 Ų73.957%0.56941%0.411SS*.Hα-helixtrans-63.8-46.7175.4-177.8-175.1000111.4C224 N225 I226 G231 L232C224-H228 PolarHBondContact O-N 2.88Å; N225-H228 PolarHBondContact O-N 3.05Å; I226-H228 VanDerWaalsContact C-N 3.33Å; I226-H228 PolarHBondContact O-N 3.42Å; H228-G231 PolarHBondContact O-N 3.2Å; H228-L232 WeakPolarHBondContact NE2-CD1 3.44Å; H228-L232 PolarHBondContact O-N 3.46Å
229L93.2Very high94.3Very high59 Ų5974.5 Ų74.531%0.30941%0.412SS..Hα-helixtrans-61.4-46.2177.1-70.4173.3000111.7N225 I226 G231 L232 I233 I261N225-L229 VanDerWaalsContact O-CG 3.3Å; N225-L229 WeakPolarHBondContact O-CG 3.42Å; N225-L229 PolarHBondContact O-N 2.85Å; I226-L229 PolarHBondContact O-N 3.05Å; L229-G231 VanDerWaalsContact C-N 3.27Å; L229-G231 PolarHBondContact O-N 3.36Å; L229-L232 PolarHBondContact O-N 3.33Å; L229-L232 VanDerWaalsContact O-N 3.13Å; L229-I233 VanDerWaalsContact O-CG1 3.29Å; L229-I233 WeakPolarHBondContact O-CG1 3.42Å; L229-I233 PolarHBondContact O-N 3.49Å; L229-I261 HydrophobicContact CD2-CB 4.49Å; L229-I261 HydrophobicContact CD2-CD1 3.87Å; L229-I261 HydrophobicContact CD2-CG1 4.19Å; L229-I261 HydrophobicContact CD2-CG2 3.5Å; L229-I261 VanDerWaalsContact CD2-CG2 3.5Å
230S95.3Very high94.2Very high66 Ų6677.3 Ų77.346%0.46242%0.423SS..Hα-helixtrans-58.1-40.6175.2-63.10000111.9I226 I233 A234I226-S230 WeakPolarHBondContact O-CB 3.37Å; I226-S230 PolarHBondContact O-N 3.27Å; I226-S230 PolarHBondContact O-OG 2.72Å; I226-S230 VanDerWaalsContact O-OG 3.07Å; S230-I233 PolarHBondContact O-N 2.74Å; S230-A234 WeakPolarHBondContact O-CB 3.22Å; S230-A234 PolarHBondContact O-N 2.97Å
231G94.7Very high94.1Very high31 Ų3180.6 Ų80.632%0.3243%0.432SS..Hα-helixtrans-67.2-34.5175.800000114S227 H228 L229 Q235S227-G231 PolarHBondContact O-N 3.03Å; H228-G231 PolarHBondContact O-N 3.2Å; L229-G231 VanDerWaalsContact C-N 3.27Å; L229-G231 PolarHBondContact O-N 3.36Å; G231-Q235 WeakPolarHBondContact O-CG 3.41Å; G231-Q235 PolarHBondContact O-N 3.28Å; G231-Q235 PolarHBondContact O-NE2 2.84Å; G231-Q235 VanDerWaalsContact O-NE2 3.13Å
232L93.4Very high94.1Very high15 Ų1577.3 Ų77.38%0.07942%0.417CS..Hα-helixtrans-71.8-41.3173.7-80.3168.4000111.9H228 L229 Q235 L236 R257 I261H228-L232 WeakPolarHBondContact NE2-CD1 3.44Å; H228-L232 PolarHBondContact O-N 3.46Å; L229-L232 PolarHBondContact O-N 3.33Å; L229-L232 VanDerWaalsContact O-N 3.13Å; L232-Q235 PolarHBondContact O-N 2.78Å; L232-L236 WeakPolarHBondContact O-CG 3.48Å; L232-L236 PolarHBondContact O-N 2.95Å; L232-L236 VanDerWaalsContact O-N 3.08Å; L232-R257 HydrophobicContact CD2-CB 4.33Å; L232-I261 HydrophobicContact CD1-CD1 3.76Å; L232-I261 HydrophobicContact CD1-CG1 3.79Å
233I94.9Very high94.1Very high90 Ų9078.3 Ų78.346%0.46243%0.43SS..Hα-helixtrans-58.1-50.6175-69.9165.1000109.7L229 S230 Q235 L236 E237L229-I233 VanDerWaalsContact O-CG1 3.29Å; L229-I233 WeakPolarHBondContact O-CG1 3.42Å; L229-I233 PolarHBondContact O-N 3.49Å; S230-I233 PolarHBondContact O-N 2.74Å; I233-Q235 VanDerWaalsContact C-N 3.31Å; I233-Q235 PolarHBondContact O-N 2.84Å; I233-L236 PolarHBondContact O-N 3.32Å; I233-L236 VanDerWaalsContact O-N 3.11Å; I233-E237 HydrophobicContact CG2-CG 4.28Å; I233-E237 WeakPolarHBondContact O-CG 3.46Å; I233-E237 PolarHBondContact O-N 2.63Å
234A95.4Very high93.9Very high51 Ų5180.8 Ų80.842%0.42144%0.443SS..Hα-helixtrans-59.3-39.6179.400000112.9S230 E237 E238S230-A234 WeakPolarHBondContact O-CB 3.22Å; S230-A234 PolarHBondContact O-N 2.97Å; A234-E237 PolarHBondContact O-N 3.48Å; A234-E238 WeakPolarHBondContact O-CB 3.48Å; A234-E238 PolarHBondContact O-N 3Å
235Q93Very high93.8Very high72 Ų7286.9 Ų86.934%0.33646%0.455SS..Hα-helixtrans-64.5-38.8175.8-78.5171.56200112.8G231 L232 I233 K239G231-Q235 WeakPolarHBondContact O-CG 3.41Å; G231-Q235 PolarHBondContact O-N 3.28Å; G231-Q235 PolarHBondContact O-NE2 2.84Å; G231-Q235 VanDerWaalsContact O-NE2 3.13Å; L232-Q235 PolarHBondContact O-N 2.78Å; I233-Q235 VanDerWaalsContact C-N 3.31Å; I233-Q235 PolarHBondContact O-N 2.84Å; Q235-K239 WeakPolarHBondContact O-CB 3.26Å; Q235-K239 WeakPolarHBondContact O-CG 3.24Å; Q235-K239 PolarHBondContact O-N 3.39Å
236L93.7Very high93.8Very high60 Ų6088.1 Ų88.131%0.31446%0.459SS..Hα-helixtrans-70.4-43.3177.6-71.5170000111.4L232 I233 E238 K239 Q240 T254 A258L232-L236 WeakPolarHBondContact O-CG 3.48Å; L232-L236 PolarHBondContact O-N 2.95Å; L232-L236 VanDerWaalsContact O-N 3.08Å; I233-L236 PolarHBondContact O-N 3.32Å; I233-L236 VanDerWaalsContact O-N 3.11Å; L236-E238 VanDerWaalsContact C-N 3.33Å; L236-K239 PolarHBondContact O-N 3.31Å; L236-Q240 WeakPolarHBondContact O-CB 3.34Å; L236-Q240 PolarHBondContact O-N 3.49Å; L236-T254 HydrophobicContact CD2-CG2 3.73Å; L236-A258 HydrophobicContact CD1-CB 3.9Å; L236-A258 HydrophobicContact CD2-CB 4.44Å
237E95.5Very high93.6Very high117 Ų11786 Ų8655%0.54745%0.448SS..Hα-helixtrans-60.2-43.2174.1-71176.5155.500111.1I233 A234 Q240 Q241I233-E237 HydrophobicContact CG2-CG 4.28Å; I233-E237 WeakPolarHBondContact O-CG 3.46Å; I233-E237 PolarHBondContact O-N 2.63Å; A234-E237 PolarHBondContact O-N 3.48Å; E237-Q240 WeakPolarHBondContact O-CB 3.38Å; E237-Q240 PolarHBondContact O-N 3.36Å; E237-Q241 WeakPolarHBondContact O-CG 3.35Å; E237-Q241 PolarHBondContact O-N 3.26Å
238E94.4Very high93.4Very high124 Ų12487.7 Ų87.758%0.57945%0.45SS*.Hα-helixtrans-63.7-50.1175.5-174.7-176.8176.300111.6A234 L236 Q240 Q241 Q242A234-E238 WeakPolarHBondContact O-CB 3.48Å; A234-E238 PolarHBondContact O-N 3Å; L236-E238 VanDerWaalsContact C-N 3.33Å; E238-Q240 PolarHBondContact O-N 3.03Å; E238-Q241 PolarHBondContact O-N 2.9Å; E238-Q242 PolarHBondContact O-N 3.43Å
239K92.7Very high93.4Very high23 Ų2387.7 Ų87.710%0.145%0.451CS..Hα-helixtrans-55.2-39.8176.7-85.9-83.5178.1-175.90111.2Q235 L236 Q241 Q242 E246 L247 Q249 D250 T254Q235-K239 WeakPolarHBondContact O-CB 3.26Å; Q235-K239 WeakPolarHBondContact O-CG 3.24Å; Q235-K239 PolarHBondContact O-N 3.39Å; L236-K239 PolarHBondContact O-N 3.31Å; K239-Q241 PolarHBondContact O-N 2.85Å; K239-Q242 WeakPolarHBondContact O-CB 3.31Å; K239-Q242 PolarHBondContact O-N 3.11Å; K239-Q242 VanDerWaalsContact O-N 3.1Å; K239-E246 PolarHBondContact NZ-O 3.44Å; K239-L247 WeakPolarHBondContact O-CD1 3.36Å; K239-Q249 PolarHBondContact NZ-O 2.76Å; K239-D250 WeakPolarHBondContact CE-OD2 3.41Å; K239-D250 VanDerWaalsContact NZ-CG 3.28Å; K239-D250 IonicContact NZ-OD1 3.92Å; K239-D250 PolarHBondContact NZ-OD1 3.19Å; K239-D250 IonicContact NZ-OD2 2.86Å; K239-D250 PolarHBondContact NZ-OD2 2.91Å; K239-T254 HydrophobicContact CG-CG2 4.37Å
240Q92.5Very high93.2Very high145 Ų14588.3 Ų88.368%0.67845%0.454SS*.Hα-helixtrans-61.2-26.5177.7-169.2-178.54.200113.5L236 E237 E238L236-Q240 WeakPolarHBondContact O-CB 3.34Å; L236-Q240 PolarHBondContact O-N 3.49Å; E237-Q240 WeakPolarHBondContact O-CB 3.38Å; E237-Q240 PolarHBondContact O-N 3.36Å; E238-Q240 PolarHBondContact O-N 3.03Å
241Q94.1Very high93Very high154 Ų15487.6 Ų87.672%0.7245%0.445SS*.THydrogen-bonded Turntrans-91.8-3.7178.3-56.9-56.3-38.700113.7E237 E238 K239E237-Q241 WeakPolarHBondContact O-CG 3.35Å; E237-Q241 PolarHBondContact O-N 3.26Å; E238-Q241 PolarHBondContact O-N 2.9Å; K239-Q241 PolarHBondContact O-N 2.85Å
242Q94Very high92.9Very high53 Ų5388.4 Ų88.425%0.24845%0.453CS..SBendtrans-75149.1-177.7-71.5-177.3-4.900112.3E238 K239 E246 L247E238-Q242 PolarHBondContact O-N 3.43Å; K239-Q242 WeakPolarHBondContact O-CB 3.31Å; K239-Q242 PolarHBondContact O-N 3.11Å; K239-Q242 VanDerWaalsContact O-N 3.1Å; Q242-E246 HydrophobicContact CB-CB 4.11Å; Q242-E246 PolarHBondContact OE1-O 3.49Å; Q242-L247 HydrophobicContact CB-CB 4.34Å
243P93.8Very high92.9Very high87 Ų8793 Ų9357%0.56548%0.478SS*.  trans-63.5160.7173.1-10.423.6000111.7R245 E246 L247P243-R245 PolarHBondContact O-N 3.18Å; P243-E246 WeakPolarHBondContact CB-OE2 3.23Å; P243-E246 PolarHBondContact O-N 3.14Å; P243-E246 VanDerWaalsContact O-N 3.12Å; P243-L247 WeakPolarHBondContact O-CB 3.46Å; P243-L247 PolarHBondContact O-N 3.21Å
244T92.1Very high92.8Very high110 Ų11089 Ų8968%0.67546%0.457SS*.Hα-helixtrans-51.7-36.6-167.9-47.40000114.7L248T244-L248 HydrophobicContact CG2-CD1 4.21Å; T244-L248 WeakPolarHBondContact O-CD1 3.42Å; T244-L248 VanDerWaalsContact O-CG 3.22Å; T244-L248 WeakPolarHBondContact O-CG 3.37Å; T244-L248 PolarHBondContact O-N 3.09Å
245R92.6Very high92.7Very high206 Ų20690.4 Ų90.478%0.77746%0.457SS*.Hα-helixtrans-73.1-45.9-177.2-174.9-177-179.3-173-0.2111.5P243 L248 Q249P243-R245 PolarHBondContact O-N 3.18Å; R245-L248 PolarHBondContact O-N 2.97Å; R245-Q249 PolarHBondContact O-N 3.12Å
246E91.1Very high92.8Very high76 Ų7688.4 Ų88.436%0.35545%0.451SS..Hα-helixtrans-72.5-36.3-178.4-64.173.6-162.400111.6K239 Q242 P243 L248 Q249K239-E246 PolarHBondContact NZ-O 3.44Å; Q242-E246 HydrophobicContact CB-CB 4.11Å; Q242-E246 PolarHBondContact OE1-O 3.49Å; P243-E246 WeakPolarHBondContact CB-OE2 3.23Å; P243-E246 PolarHBondContact O-N 3.14Å; P243-E246 VanDerWaalsContact O-N 3.12Å; E246-L248 VanDerWaalsContact C-N 3.34Å; E246-L248 PolarHBondContact O-N 3.44Å; E246-Q249 WeakPolarHBondContact O-CB 3.5Å; E246-Q249 PolarHBondContact O-N 3.25Å
247L91.3Very high92.7Very high59 Ų5990.3 Ų90.331%0.30945%0.454SS..Hα-helixtrans-59.5-44172.8172.766.8000111.3K239 Q242 P243 Q249 I251K239-L247 WeakPolarHBondContact O-CD1 3.36Å; Q242-L247 HydrophobicContact CB-CB 4.34Å; P243-L247 WeakPolarHBondContact O-CB 3.46Å; P243-L247 PolarHBondContact O-N 3.21Å; L247-Q249 VanDerWaalsContact C-N 3.29Å; L247-Q249 PolarHBondContact O-N 3.35Å; L247-I251 HydrophobicContact CD1-CD1 4.34Å; L247-I251 WeakPolarHBondContact O-CB 3.34Å
248L92.1Very high92.5Very high121 Ų12186 Ų8663%0.63444%0.438SS*.Hα-helixtrans-75.9-17.1-178.6-69.6174.7000113.3T244 R245 E246T244-L248 HydrophobicContact CG2-CD1 4.21Å; T244-L248 WeakPolarHBondContact O-CD1 3.42Å; T244-L248 VanDerWaalsContact O-CG 3.22Å; T244-L248 WeakPolarHBondContact O-CG 3.37Å; T244-L248 PolarHBondContact O-N 3.09Å; R245-L248 PolarHBondContact O-N 2.97Å; E246-L248 VanDerWaalsContact C-N 3.34Å; E246-L248 PolarHBondContact O-N 3.44Å
249Q91.5Very high92.4Very high123 Ų12387.8 Ų87.858%0.57545%0.447SS*.THydrogen-bonded Turntrans-68.5132.3171.9-159.7172.5-11.800108.6K239 R245 E246 L247 I251K239-Q249 PolarHBondContact NZ-O 2.76Å; R245-Q249 PolarHBondContact O-N 3.12Å; E246-Q249 WeakPolarHBondContact O-CB 3.5Å; E246-Q249 PolarHBondContact O-N 3.25Å; L247-Q249 VanDerWaalsContact C-N 3.29Å; L247-Q249 PolarHBondContact O-N 3.35Å; Q249-I251 PolarHBondContact O-N 2.98Å
250D89.8Confident92.4Very high72 Ų7295.2 Ų95.239%0.38547%0.474SS..THydrogen-bonded Turntrans52.516.1172.762.3-76.7000116.5K239 G252 D253 T254K239-D250 WeakPolarHBondContact CE-OD2 3.41Å; K239-D250 VanDerWaalsContact NZ-CG 3.28Å; K239-D250 IonicContact NZ-OD1 3.92Å; K239-D250 PolarHBondContact NZ-OD1 3.19Å; K239-D250 IonicContact NZ-OD2 2.86Å; K239-D250 PolarHBondContact NZ-OD2 2.91Å; D250-G252 VanDerWaalsContact C-N 3.31Å; D250-G252 PolarHBondContact O-N 2.84Å; D250-D253 PolarHBondContact O-N 3.19Å; D250-D253 VanDerWaalsContact O-N 3.17Å; D250-T254 PolarHBondContact O-N 2.99Å; D250-T254 PolarHBondContact O-OG1 3.25Å
251I90.8Very high92.2Very high51 Ų5191.9 Ų91.926%0.26246%0.46SS..Hα-helixtrans-61.8-39.4-177.6-171.457.8000112.1L247 Q249 D253 T254 L255L247-I251 HydrophobicContact CD1-CD1 4.34Å; L247-I251 WeakPolarHBondContact O-CB 3.34Å; Q249-I251 PolarHBondContact O-N 2.98Å; I251-D253 VanDerWaalsContact C-N 3.31Å; I251-D253 PolarHBondContact O-N 2.89Å; I251-T254 PolarHBondContact O-N 2.81Å; I251-L255 HydrophobicContact CD1-CD1 4.29Å; I251-L255 HydrophobicContact CD1-CG 4.06Å; I251-L255 HydrophobicContact CG1-CD1 3.96Å; I251-L255 HydrophobicContact CG1-CG 4.18Å; I251-L255 WeakPolarHBondContact O-CB 3.48Å; I251-L255 WeakPolarHBondContact O-CG 3.5Å; I251-L255 PolarHBondContact O-N 2.84Å
252G93Very high91.8Very high48 Ų4895.2 Ų95.250%0.49547%0.466SS..Hα-helixtrans-59.7-42.4177.400000111.8D250 S256D250-G252 VanDerWaalsContact C-N 3.31Å; D250-G252 PolarHBondContact O-N 2.84Å; G252-S256 WeakPolarHBondContact O-CB 3.38Å; G252-S256 PolarHBondContact O-N 3Å
253D93.1Very high91.3Very high112 Ų112100.5 Ų100.560%0.59949%0.494SS*.Hα-helixtrans-69.9-37.9177.4-67.7-32.9000111.7D250 I251 S256 R257D250-D253 PolarHBondContact O-N 3.19Å; D250-D253 VanDerWaalsContact O-N 3.17Å; I251-D253 VanDerWaalsContact C-N 3.31Å; I251-D253 PolarHBondContact O-N 2.89Å; D253-S256 PolarHBondContact O-N 2.88Å; D253-R257 WeakPolarHBondContact O-CG 3.36Å; D253-R257 PolarHBondContact O-N 2.87Å
254T92Very high90.8Very high4 Ų498.8 Ų98.83%0.02548%0.483CS..Hα-helixtrans-67-46.2177.9-62.80000112.2L236 K239 D250 I251 R257 A258L236-T254 HydrophobicContact CD2-CG2 3.73Å; K239-T254 HydrophobicContact CG-CG2 4.37Å; D250-T254 PolarHBondContact O-N 2.99Å; D250-T254 PolarHBondContact O-OG1 3.25Å; I251-T254 PolarHBondContact O-N 2.81Å; T254-R257 PolarHBondContact O-N 3.32Å; T254-R257 PolarHBondContact OG1-NH2 3.48Å; T254-A258 PolarHBondContact O-N 3.34Å
255L94.2Very high90.6Very high82 Ų82101.8 Ų101.843%0.42949%0.49SS..Hα-helixtrans-64.4-42.7174.4-67.1177000111.3I251 R257 A258 E259I251-L255 HydrophobicContact CD1-CD1 4.29Å; I251-L255 HydrophobicContact CD1-CG 4.06Å; I251-L255 HydrophobicContact CG1-CD1 3.96Å; I251-L255 HydrophobicContact CG1-CG 4.18Å; I251-L255 WeakPolarHBondContact O-CB 3.48Å; I251-L255 WeakPolarHBondContact O-CG 3.5Å; I251-L255 PolarHBondContact O-N 2.84Å; L255-R257 VanDerWaalsContact C-N 3.28Å; L255-R257 PolarHBondContact O-N 3.33Å; L255-A258 WeakPolarHBondContact O-CB 3.34Å; L255-A258 PolarHBondContact O-N 3.45Å; L255-E259 WeakPolarHBondContact O-CG 3.33Å; L255-E259 PolarHBondContact O-N 3.21Å
256S94.6Very high90.5Very high29 Ų2996.8 Ų96.820%0.20348%0.484CS..Hα-helixtrans-58.9-36.8175.5-174.40000112.5G252 D253 R260G252-S256 WeakPolarHBondContact O-CB 3.38Å; G252-S256 PolarHBondContact O-N 3Å; D253-S256 PolarHBondContact O-N 2.88Å; S256-R260 WeakPolarHBondContact O-CD 3.39Å; S256-R260 WeakPolarHBondContact O-CG 3.29Å; S256-R260 PolarHBondContact O-N 3.28Å; S256-R260 PolarHBondContact OG-NE 3.14Å; S256-R260 PolarHBondContact OG-NH2 3.05Å; S256-R260 VanDerWaalsContact OG-NH2 3.07Å
257R92.3Very high90.5Very high101 Ų10198 Ų9838%0.38149%0.485SS..Hα-helixtrans-65.5-40.8173-76.5-178.3-65.1151.33112.3L232 D253 T254 L255 R260L232-R257 HydrophobicContact CD2-CB 4.33Å; D253-R257 WeakPolarHBondContact O-CG 3.36Å; D253-R257 PolarHBondContact O-N 2.87Å; T254-R257 PolarHBondContact O-N 3.32Å; T254-R257 PolarHBondContact OG1-NH2 3.48Å; L255-R257 VanDerWaalsContact C-N 3.28Å; L255-R257 PolarHBondContact O-N 3.33Å; R257-R260 PolarHBondContact O-N 2.94Å
258A90.6Very high90.6Very high26 Ų26101.4 Ų101.422%0.21550%0.502CS..Hα-helixtrans-68.1-41.2177.800000112.3L236 T254 L255 R260 I261L236-A258 HydrophobicContact CD1-CB 3.9Å; L236-A258 HydrophobicContact CD2-CB 4.44Å; T254-A258 PolarHBondContact O-N 3.34Å; L255-A258 WeakPolarHBondContact O-CB 3.34Å; L255-A258 PolarHBondContact O-N 3.45Å; A258-R260 PolarHBondContact O-N 3.33Å; A258-I261 WeakPolarHBondContact O-CB 3.4Å; A258-I261 WeakPolarHBondContact O-CD1 3.44Å; A258-I261 VanDerWaalsContact O-CG1 3.27Å; A258-I261 WeakPolarHBondContact O-CG1 3.22Å; A258-I261 PolarHBondContact O-N 2.65Å
259E92.4Very high90.6Very high162 Ų16298 Ų9876%0.75749%0.487SS*.Hα-helixtrans-64.5-26.1177-73.6175.7-177.400112.9L255 I261L255-E259 WeakPolarHBondContact O-CG 3.33Å; L255-E259 PolarHBondContact O-N 3.21Å; E259-I261 VanDerWaalsContact C-N 3.29Å; E259-I261 PolarHBondContact O-N 3.2Å
260R92Very high90.8Very high179 Ų17994.3 Ų94.368%0.67547%0.474SS*.THydrogen-bonded Turntrans-80.5-3.7178.6-72.3170.1-164.4-173.93.6114.2S256 R257 A258 R262S256-R260 WeakPolarHBondContact O-CD 3.39Å; S256-R260 WeakPolarHBondContact O-CG 3.29Å; S256-R260 PolarHBondContact O-N 3.28Å; S256-R260 PolarHBondContact OG-NE 3.14Å; S256-R260 PolarHBondContact OG-NH2 3.05Å; S256-R260 VanDerWaalsContact OG-NH2 3.07Å; R257-R260 PolarHBondContact O-N 2.94Å; A258-R260 PolarHBondContact O-N 3.33Å; R260-R262 PolarHBondContact O-N 3.19Å
261I87.8Confident91Very high75 Ų7595.9 Ų95.939%0.38549%0.488SS..  trans-61.1128178.4-68.3170.5000109.5L229 L232 A258 E259L229-I261 HydrophobicContact CD2-CB 4.49Å; L229-I261 HydrophobicContact CD2-CD1 3.87Å; L229-I261 HydrophobicContact CD2-CG1 4.19Å; L229-I261 HydrophobicContact CD2-CG2 3.5Å; L229-I261 VanDerWaalsContact CD2-CG2 3.5Å; L232-I261 HydrophobicContact CD1-CD1 3.76Å; L232-I261 HydrophobicContact CD1-CG1 3.79Å; A258-I261 WeakPolarHBondContact O-CB 3.4Å; A258-I261 WeakPolarHBondContact O-CD1 3.44Å; A258-I261 VanDerWaalsContact O-CG1 3.27Å; A258-I261 WeakPolarHBondContact O-CG1 3.22Å; A258-I261 PolarHBondContact O-N 2.65Å; E259-I261 VanDerWaalsContact C-N 3.29Å; E259-I261 PolarHBondContact O-N 3.2Å
262R86.5Confident91.3Very high223 Ų22397.8 Ų97.884%0.84250%0.498SS*.  trans-104.6137.1173.1-63-177.4-174.9176.30.6109.4R260 P264R260-R262 PolarHBondContact O-N 3.19Å; R262-P264 WeakPolarHBondContact O-CD 3.37Å
263I83.3Confident91.4Very high164 Ų16496 Ų9684%0.84148%0.477SS*.PPolyproline II helixtrans-67.8120.3168.3-59175.6000106.8
264P84.6Confident91.5Very high51 Ų5196.7 Ų96.733%0.33148%0.477SS..PPolyproline II helixtrans-59.1140.4175.4-22.133.8000110.3F222 N225 R262F222-P264 HydrophobicContact CD1-CB 4.43Å; F222-P264 HydrophobicContact CE1-CB 4.21Å; N225-P264 HydrophobicContact CB-CG 4.22Å; N225-P264 WeakPolarHBondContact ND2-CG 3.35Å; R262-P264 WeakPolarHBondContact O-CD 3.37Å
265E87.3Confident91.7Very high173 Ų173102.3 Ų102.381%0.80850%0.503SS*.PPolyproline II helixtrans-60.9144.5171.1-68.7-179.4176.900110.1
266P90.1Very high91.8Very high101 Ų101102 Ų10266%0.65650%0.498SS*.PPolyproline II helixtrans-63149.9175.728.1-34.4000110.1I268P266-I268 PolarHBondContact O-N 2.78Å
267W91.1Very high91.9Very high102 Ų102104.2 Ų104.239%0.38651%0.507SS..PPolyproline II helixtrans-68130.6171.8178.584.9000109.9I215 A218 F222 T269I215-W267 HydrophobicContact CD1-CH2 4.5Å; I215-W267 HydrophobicContact CG1-CH2 4.06Å; I215-W267 HydrophobicContact CG1-CZ2 3.86Å; A218-W267 HydrophobicContact CB-CB 4.35Å; A218-W267 HydrophobicContact CB-CG 3.92Å; F222-W267 HydrophobicContact CE2-CB 3.8Å; F222-W267 HydrophobicContact CZ-CB 3.89Å; W267-T269 HydrophobicContact CH2-CG2 4.47Å; W267-T269 WeakPolarHBondContact CH2-OG1 3.38Å
268I92.5Very high92.1Very high130 Ų130104.8 Ų104.867%0.66751%0.514SS*.  trans-121.8139.6175.3-58.1172.7000106.9P266 P270P266-I268 PolarHBondContact O-N 2.78Å; I268-P270 WeakPolarHBondContact O-CD 3.3Å
269T93.1Very high92.3Very high50 Ų50106.9 Ų106.931%0.30752%0.52SS..  trans-56.7125.6175.5-53.90000109.9W267 L273 Q274W267-T269 HydrophobicContact CH2-CG2 4.47Å; W267-T269 WeakPolarHBondContact CH2-OG1 3.38Å; T269-L273 HydrophobicContact CG2-CB 4.45Å; T269-L273 HydrophobicContact CG2-CD2 4.32Å; T269-Q274 HydrophobicContact CG2-CB 4.22Å
270P94.6Very high92.5Very high46 Ų46100.1 Ų100.130%0.29949%0.489SS..  trans-55.9133.4178.9-26.934.9000111.2I268 D272 L273 Q274I268-P270 WeakPolarHBondContact O-CD 3.3Å; P270-D272 VanDerWaalsContact C-N 3.26Å; P270-D272 PolarHBondContact O-N 3.38Å; P270-L273 HydrophobicContact CB-CB 4.2Å; P270-L273 WeakPolarHBondContact O-CB 3.38Å; P270-L273 PolarHBondContact O-N 2.7Å; P270-Q274 PolarHBondContact O-N 2.93Å
271P95.5Very high92.7Very high105 Ų10594.3 Ų94.368%0.68248%0.479SS*.Hα-helixtrans-54.2-40.3-177.5-2935.1000113.6L273 Q274 E275P271-L273 VanDerWaalsContact C-N 3.32Å; P271-L273 PolarHBondContact O-N 2.98Å; P271-Q274 PolarHBondContact O-N 3.27Å; P271-E275 VanDerWaalsContact O-CB 3.31Å; P271-E275 WeakPolarHBondContact O-CB 2.99Å; P271-E275 PolarHBondContact O-N 3.4Å
272D95.6Very high93.1Very high90 Ų9096 Ų9648%0.48149%0.485SS..Hα-helixtrans-60.4-38.5175.816873.9000112.5P270 K276P270-D272 VanDerWaalsContact C-N 3.26Å; P270-D272 PolarHBondContact O-N 3.38Å; D272-K276 VanDerWaalsContact CG-NZ 3.32Å; D272-K276 WeakPolarHBondContact O-CB 3.35Å; D272-K276 WeakPolarHBondContact O-CD 3.3Å; D272-K276 WeakPolarHBondContact O-CG 3.43Å; D272-K276 PolarHBondContact O-N 2.93Å; D272-K276 WeakPolarHBondContact OD1-CE 3.4Å; D272-K276 IonicContact OD1-NZ 2.88Å; D272-K276 PolarHBondContact OD1-NZ 2.89Å; D272-K276 WeakPolarHBondContact OD2-CE 3.46Å; D272-K276 IonicContact OD2-NZ 3.24Å; D272-K276 PolarHBondContact OD2-NZ 3.38Å
273L95.5Very high93.4Very high11 Ų1191.3 Ų91.36%0.05847%0.471CS..Hα-helixtrans-71.5-43.9178.4-172.862.8000111.1A210 I211 T269 P270 P271 E275 K276 I277A210-L273 HydrophobicContact CB-CD1 4.07Å; I211-L273 HydrophobicContact CB-CD2 4.48Å; I211-L273 HydrophobicContact CG1-CD1 4.02Å; I211-L273 HydrophobicContact CG1-CD2 3.87Å; I211-L273 HydrophobicContact CG1-CG 4.23Å; T269-L273 HydrophobicContact CG2-CB 4.45Å; T269-L273 HydrophobicContact CG2-CD2 4.32Å; P270-L273 HydrophobicContact CB-CB 4.2Å; P270-L273 WeakPolarHBondContact O-CB 3.38Å; P270-L273 PolarHBondContact O-N 2.7Å; P271-L273 VanDerWaalsContact C-N 3.32Å; P271-L273 PolarHBondContact O-N 2.98Å; L273-E275 VanDerWaalsContact C-N 3.34Å; L273-E275 PolarHBondContact O-N 3.25Å; L273-K276 PolarHBondContact O-N 2.8Å; L273-I277 HydrophobicContact CG-CD1 4.34Å; L273-I277 WeakPolarHBondContact O-CG1 3.45Å; L273-I277 PolarHBondContact O-N 2.98Å; L273-I277 VanDerWaalsContact O-N 3.09Å
274Q95.8Very high93.9Very high127 Ų12786 Ų8659%0.59345%0.448SS*.Hα-helixtrans-61.1-43.7176.1-174.7177.31.100111.4T269 P270 P271 I277 H278T269-Q274 HydrophobicContact CG2-CB 4.22Å; P270-Q274 PolarHBondContact O-N 2.93Å; P271-Q274 PolarHBondContact O-N 3.27Å; Q274-I277 PolarHBondContact O-N 3.47Å; Q274-H278 WeakPolarHBondContact O-CB 3.44Å; Q274-H278 PolarHBondContact O-N 2.82Å
275E97.1Very high94.4Very high121 Ų12189.8 Ų89.857%0.56547%0.465SS*.Hα-helixtrans-63.5-44.3177.2-176.7172.2-15900111.7P271 L273 I277 H278 I279P271-E275 VanDerWaalsContact O-CB 3.31Å; P271-E275 WeakPolarHBondContact O-CB 2.99Å; P271-E275 PolarHBondContact O-N 3.4Å; L273-E275 VanDerWaalsContact C-N 3.34Å; L273-E275 PolarHBondContact O-N 3.25Å; E275-I277 VanDerWaalsContact C-N 3.34Å; E275-I277 PolarHBondContact O-N 3.03Å; E275-H278 PolarHBondContact O-N 3.25Å; E275-H278 VanDerWaalsContact O-N 3.16Å; E275-I279 HydrophobicContact CG-CD1 3.81Å; E275-I279 HydrophobicContact CG-CG1 4.35Å; E275-I279 VanDerWaalsContact O-CG1 3.32Å; E275-I279 WeakPolarHBondContact O-CG1 3.3Å; E275-I279 PolarHBondContact O-N 3Å
276K96.3Very high94.7Very high76 Ų7688.7 Ų88.733%0.3346%0.457SS..Hα-helixtrans-58.5-43.2175.9-78.8168-180164.40112.9L207 D272 L273 F280L207-K276 HydrophobicContact CD2-CB 3.73Å; L207-K276 HydrophobicContact CD2-CD 4.16Å; L207-K276 HydrophobicContact CD2-CG 4.44Å; D272-K276 VanDerWaalsContact CG-NZ 3.32Å; D272-K276 WeakPolarHBondContact O-CB 3.35Å; D272-K276 WeakPolarHBondContact O-CD 3.3Å; D272-K276 WeakPolarHBondContact O-CG 3.43Å; D272-K276 PolarHBondContact O-N 2.93Å; D272-K276 WeakPolarHBondContact OD1-CE 3.4Å; D272-K276 IonicContact OD1-NZ 2.88Å; D272-K276 PolarHBondContact OD1-NZ 2.89Å; D272-K276 WeakPolarHBondContact OD2-CE 3.46Å; D272-K276 IonicContact OD2-NZ 3.24Å; D272-K276 PolarHBondContact OD2-NZ 3.38Å; L273-K276 PolarHBondContact O-N 2.8Å; K276-F280 WeakPolarHBondContact O-CB 3.34Å; K276-F280 PolarHBondContact O-N 3.03Å
277I95.3Very high94.9Very high76 Ų7687.1 Ų87.139%0.3944%0.443SS..Hα-helixtrans-63.4-45175.9-66.7165.5000110.1I211 L273 Q274 E275 F280 A281I211-I277 HydrophobicContact CD1-CD1 4.1Å; I211-I277 HydrophobicContact CG1-CD1 4.49Å; L273-I277 HydrophobicContact CG-CD1 4.34Å; L273-I277 WeakPolarHBondContact O-CG1 3.45Å; L273-I277 PolarHBondContact O-N 2.98Å; L273-I277 VanDerWaalsContact O-N 3.09Å; Q274-I277 PolarHBondContact O-N 3.47Å; E275-I277 VanDerWaalsContact C-N 3.34Å; E275-I277 PolarHBondContact O-N 3.03Å; I277-F280 PolarHBondContact O-N 3.16Å; I277-A281 PolarHBondContact O-N 2.88Å
278H96.5Very high95Very high113 Ų11386.8 Ų86.852%0.52345%0.453SS..Hα-helixtrans-62.4-45.8178.9-174.269.4000112.5Q274 E275 F280 A281 Q282Q274-H278 WeakPolarHBondContact O-CB 3.44Å; Q274-H278 PolarHBondContact O-N 2.82Å; E275-H278 PolarHBondContact O-N 3.25Å; E275-H278 VanDerWaalsContact O-N 3.16Å; H278-F280 VanDerWaalsContact C-N 3.29Å; H278-F280 PolarHBondContact O-N 3.24Å; H278-A281 PolarHBondContact O-N 2.98Å; H278-Q282 PolarHBondContact CD2-NE2 2.95Å; H278-Q282 PolarHBondContact NE2-NE2 2.92Å; H278-Q282 PolarHBondContact O-N 3.29Å
279I95.8Very high95.2Very high69 Ų6984.7 Ų84.735%0.35444%0.44SS..Hα-helixtrans-59.6-41.9175.3-69.9169000110.5E275 Q282 K283E275-I279 HydrophobicContact CG-CD1 3.81Å; E275-I279 HydrophobicContact CG-CG1 4.35Å; E275-I279 VanDerWaalsContact O-CG1 3.32Å; E275-I279 WeakPolarHBondContact O-CG1 3.3Å; E275-I279 PolarHBondContact O-N 3Å; I279-Q282 PolarHBondContact O-N 3.13Å; I279-K283 HydrophobicContact CG2-CD 4.4Å; I279-K283 WeakPolarHBondContact O-CG 3.37Å; I279-K283 PolarHBondContact O-N 3.37Å
280F96.2Very high95.2Very high20 Ų2084 Ų849%0.08844%0.438CS..Hα-helixtrans-65-42178.1-163.4-83.9000111.7L200 R203 L204 L207 K276 I277 H278 Q282 K283 C284L200-F280 HydrophobicContact CB-CZ 4.38Å; L200-F280 HydrophobicContact CD2-CE2 4.31Å; L200-F280 HydrophobicContact CD2-CZ 4.34Å; L200-F280 WeakPolarHBondContact O-CZ 3.34Å; R203-F280 HydrophobicContact CB-CE2 4.17Å; R203-F280 HydrophobicContact CG-CD2 4.34Å; R203-F280 HydrophobicContact CG-CE2 4.17Å; L204-F280 HydrophobicContact CD1-CE1 3.61Å; L204-F280 HydrophobicContact CD1-CZ 3.78Å; L204-F280 HydrophobicContact CD2-CD1 3.62Å; L204-F280 HydrophobicContact CD2-CE1 3.47Å; L204-F280 VanDerWaalsContact CD2-CE1 3.47Å; L204-F280 HydrophobicContact CD2-CE2 4.39Å; L204-F280 HydrophobicContact CD2-CG 4.17Å; L204-F280 HydrophobicContact CD2-CZ 3.89Å; L204-F280 HydrophobicContact CG-CD1 4.14Å; L204-F280 HydrophobicContact CG-CE1 3.47Å; L204-F280 VanDerWaalsContact CG-CE1 3.47Å; L204-F280 HydrophobicContact CG-CE2 4.08Å; L204-F280 HydrophobicContact CG-CZ 3.44Å; L204-F280 VanDerWaalsContact CG-CZ 3.44Å; L207-F280 HydrophobicContact CD1-CB 4.27Å; L207-F280 HydrophobicContact CD1-CD2 4.37Å; L207-F280 HydrophobicContact CD1-CG 4.39Å; K276-F280 WeakPolarHBondContact O-CB 3.34Å; K276-F280 PolarHBondContact O-N 3.03Å; I277-F280 PolarHBondContact O-N 3.16Å; H278-F280 VanDerWaalsContact C-N 3.29Å; H278-F280 PolarHBondContact O-N 3.24Å; F280-Q282 VanDerWaalsContact C-N 3.33Å; F280-Q282 PolarHBondContact O-N 3.31Å; F280-K283 WeakPolarHBondContact O-CB 3.11Å; F280-K283 PolarHBondContact O-N 2.81Å; F280-K283 VanDerWaalsContact O-N 3.11Å; F280-C284 WeakPolarHBondContact CE1-SG 3.3Å; F280-C284 PolarHBondContact O-N 3.02Å; F280-C284 PolarHBondContact O-SG 3.08Å
281A95.5Very high95.1Very high57 Ų5785.4 Ų85.447%0.47144%0.442SS..Hα-helixtrans-59.7-41.3175.100000112.4I277 H278 C284 L285I277-A281 PolarHBondContact O-N 2.88Å; H278-A281 PolarHBondContact O-N 2.98Å; A281-C284 PolarHBondContact O-N 2.79Å; A281-L285 PolarHBondContact O-N 3.32Å; A281-L285 VanDerWaalsContact O-N 3.09Å
282Q96.6Very high95.1Very high111 Ų11185.7 Ų85.752%0.51943%0.433SS..Hα-helixtrans-63-40.7173.7-69.5-177-1.300112.2H278 I279 F280 C284 L285 F286H278-Q282 PolarHBondContact CD2-NE2 2.95Å; H278-Q282 PolarHBondContact NE2-NE2 2.92Å; H278-Q282 PolarHBondContact O-N 3.29Å; I279-Q282 PolarHBondContact O-N 3.13Å; F280-Q282 VanDerWaalsContact C-N 3.33Å; F280-Q282 PolarHBondContact O-N 3.31Å; Q282-C284 VanDerWaalsContact C-N 3.33Å; Q282-C284 PolarHBondContact O-N 3.43Å; Q282-L285 PolarHBondContact O-N 2.81Å; Q282-F286 PolarHBondContact O-N 3.24Å
283K94.1Very high95Very high124 Ų12486.3 Ų86.354%0.53943%0.433SS..Hα-helixtrans-61.8-39.9175.1-72.6176.5178.4-176.90112.1I279 F280 F286 L287I279-K283 HydrophobicContact CG2-CD 4.4Å; I279-K283 WeakPolarHBondContact O-CG 3.37Å; I279-K283 PolarHBondContact O-N 3.37Å; F280-K283 WeakPolarHBondContact O-CB 3.11Å; F280-K283 PolarHBondContact O-N 2.81Å; F280-K283 VanDerWaalsContact O-N 3.11Å; K283-F286 PolarHBondContact O-N 3.2Å; K283-L287 WeakPolarHBondContact O-CB 3.24Å; K283-L287 PolarHBondContact O-N 2.87Å
284C93.2Very high94.9Very high52 Ų5290 Ų9035%0.35145%0.448SS..Hα-helixtrans-62.8-43.9174.9-70.80000112F280 A281 Q282 F286 L287 T288F280-C284 WeakPolarHBondContact CE1-SG 3.3Å; F280-C284 PolarHBondContact O-N 3.02Å; F280-C284 PolarHBondContact O-SG 3.08Å; A281-C284 PolarHBondContact O-N 2.79Å; Q282-C284 VanDerWaalsContact C-N 3.33Å; Q282-C284 PolarHBondContact O-N 3.43Å; C284-F286 VanDerWaalsContact C-N 3.35Å; C284-F286 PolarHBondContact O-N 2.91Å; C284-L287 WeakPolarHBondContact O-CB 3.33Å; C284-L287 PolarHBondContact O-N 2.97Å; C284-T288 PolarHBondContact O-N 2.9Å; C284-T288 PolarHBondContact O-OG1 2.76Å
285L94.5Very high94.7Very high132 Ų13287.2 Ų87.269%0.69144%0.44SS*.Hα-helixtrans-61.1-45.3176.5-176.266.7000111.4A281 Q282 L287 T288 E289A281-L285 PolarHBondContact O-N 3.32Å; A281-L285 VanDerWaalsContact O-N 3.09Å; Q282-L285 PolarHBondContact O-N 2.81Å; L285-L287 VanDerWaalsContact C-N 3.35Å; L285-L287 PolarHBondContact O-N 3.37Å; L285-T288 PolarHBondContact O-N 2.96Å; L285-E289 PolarHBondContact O-N 3.45Å; L285-E289 VanDerWaalsContact O-N 3.16Å
286F94.9Very high94.5Very high149 Ų14986.1 Ų86.165%0.65444%0.435SS*.Hα-helixtrans-62.6-39.9176.3-180-97.1000112.4Q282 K283 C284 E289 S290Q282-F286 PolarHBondContact O-N 3.24Å; K283-F286 PolarHBondContact O-N 3.2Å; C284-F286 VanDerWaalsContact C-N 3.35Å; C284-F286 PolarHBondContact O-N 2.91Å; F286-E289 PolarHBondContact O-N 2.75Å; F286-S290 VanDerWaalsContact CE1-OG 3.28Å; F286-S290 WeakPolarHBondContact CE1-OG 3.29Å; F286-S290 WeakPolarHBondContact CZ-OG 3.38Å; F286-S290 VanDerWaalsContact O-CB 3.28Å; F286-S290 WeakPolarHBondContact O-CB 3.49Å; F286-S290 PolarHBondContact O-N 2.98Å; F286-S290 PolarHBondContact O-OG 3.04Å
287L93.2Very high94.2Very high68 Ų6888.7 Ų88.736%0.35645%0.446SS..Hα-helixtrans-60.4-47.5176.1176.967.7000111.3L200 K283 C284 L285 E289 S290 L291L200-L287 HydrophobicContact CD1-CD2 3.63Å; K283-L287 WeakPolarHBondContact O-CB 3.24Å; K283-L287 PolarHBondContact O-N 2.87Å; C284-L287 WeakPolarHBondContact O-CB 3.33Å; C284-L287 PolarHBondContact O-N 2.97Å; L285-L287 VanDerWaalsContact C-N 3.35Å; L285-L287 PolarHBondContact O-N 3.37Å; L287-E289 PolarHBondContact O-N 2.98Å; L287-S290 PolarHBondContact O-N 2.94Å; L287-L291 HydrophobicContact CD1-CD1 4.12Å; L287-L291 HydrophobicContact CD1-CG 4.21Å; L287-L291 HydrophobicContact CG-CD1 4.09Å; L287-L291 WeakPolarHBondContact O-CG 3.16Å; L287-L291 PolarHBondContact O-N 3.42Å
288T93.8Very high93.8Very high96 Ų9688.4 Ų88.459%0.58944%0.444SS*.Hα-helixtrans-59.3-46.9179-58.10000111.5C284 L285 L291 K292C284-T288 PolarHBondContact O-N 2.9Å; C284-T288 PolarHBondContact O-OG1 2.76Å; L285-T288 PolarHBondContact O-N 2.96Å; T288-L291 PolarHBondContact O-N 3.03Å; T288-K292 WeakPolarHBondContact O-CB 3.36Å; T288-K292 PolarHBondContact O-N 2.88Å
289E95.5Very high93.4Very high85 Ų8588.6 Ų88.640%0.39745%0.445SS..Hα-helixtrans-65.8-41.2178.9-175.957.2-154.400111.7L285 F286 L287 L291 K292 Q293L285-E289 PolarHBondContact O-N 3.45Å; L285-E289 VanDerWaalsContact O-N 3.16Å; F286-E289 PolarHBondContact O-N 2.75Å; L287-E289 PolarHBondContact O-N 2.98Å; E289-L291 PolarHBondContact O-N 3.29Å; E289-K292 PolarHBondContact O-N 3.47Å; E289-Q293 HydrophobicContact CG-CG 4.48Å; E289-Q293 WeakPolarHBondContact O-CB 3.43Å; E289-Q293 VanDerWaalsContact O-CG 3.31Å; E289-Q293 WeakPolarHBondContact O-CG 3.12Å; E289-Q293 PolarHBondContact O-N 3.47Å; E289-Q293 WeakPolarHBondContact OE1-CG 3.33Å; E289-Q293 PolarHBondContact OE1-NE2 3.42Å
290S93.8Very high92.8Very high37 Ų3787.4 Ų87.426%0.25944%0.443SS..Hα-helixtrans-62.7-42.1178-61.50000112.2F286 L287 F294F286-S290 VanDerWaalsContact CE1-OG 3.28Å; F286-S290 WeakPolarHBondContact CE1-OG 3.29Å; F286-S290 WeakPolarHBondContact CZ-OG 3.38Å; F286-S290 VanDerWaalsContact O-CB 3.28Å; F286-S290 WeakPolarHBondContact O-CB 3.49Å; F286-S290 PolarHBondContact O-N 2.98Å; F286-S290 PolarHBondContact O-OG 3.04Å; L287-S290 PolarHBondContact O-N 2.94Å; S290-F294 VanDerWaalsContact O-CB 3.32Å; S290-F294 WeakPolarHBondContact O-CB 3.35Å; S290-F294 PolarHBondContact O-N 2.9Å
291L93Very high92.2Very high75 Ų7589.3 Ų89.339%0.39345%0.454SS..Hα-helixtrans-66.3-41.4176.9-72.2174.4000111.7L193 L287 T288 E289 F294 T295L193-L291 HydrophobicContact CD2-CD2 4.17Å; L287-L291 HydrophobicContact CD1-CD1 4.12Å; L287-L291 HydrophobicContact CD1-CG 4.21Å; L287-L291 HydrophobicContact CG-CD1 4.09Å; L287-L291 WeakPolarHBondContact O-CG 3.16Å; L287-L291 PolarHBondContact O-N 3.42Å; T288-L291 PolarHBondContact O-N 3.03Å; E289-L291 PolarHBondContact O-N 3.29Å; L291-F294 PolarHBondContact O-N 3.34Å; L291-T295 PolarHBondContact O-N 2.83Å; L291-T295 VanDerWaalsContact O-N 3.08Å; L291-T295 PolarHBondContact O-OG1 2.83Å
292K94.3Very high91.5Very high111 Ų11193.2 Ų93.248%0.48346%0.464SS..Hα-helixtrans-60.9-50.7175.4-178.6-177.3170-170.80111.4T288 E289 F294 T295 E296T288-K292 WeakPolarHBondContact O-CB 3.36Å; T288-K292 PolarHBondContact O-N 2.88Å; E289-K292 PolarHBondContact O-N 3.47Å; K292-F294 VanDerWaalsContact C-N 3.29Å; K292-F294 PolarHBondContact O-N 3.17Å; K292-T295 PolarHBondContact O-N 2.8Å; K292-E296 WeakPolarHBondContact CE-OE1 3.37Å; K292-E296 IonicContact NZ-OE1 2.72Å; K292-E296 WeakPolarHBondContact O-CG 3.48Å; K292-E296 PolarHBondContact O-N 2.77Å
293Q94.5Very high90.8Very high103 Ų10393.8 Ų93.848%0.48147%0.467SS..Hα-helixtrans-60.8-38.3177.9-72.4178.911.200112.2E289 K297E289-Q293 HydrophobicContact CG-CG 4.48Å; E289-Q293 WeakPolarHBondContact O-CB 3.43Å; E289-Q293 VanDerWaalsContact O-CG 3.31Å; E289-Q293 WeakPolarHBondContact O-CG 3.12Å; E289-Q293 PolarHBondContact O-N 3.47Å; E289-Q293 WeakPolarHBondContact OE1-CG 3.33Å; E289-Q293 PolarHBondContact OE1-NE2 3.42Å; Q293-K297 WeakPolarHBondContact O-CB 3.44Å; Q293-K297 PolarHBondContact O-N 2.96Å
294F93.3Very high90.1Very high88 Ų8890.8 Ų90.839%0.38645%0.454SS..Hα-helixtrans-59.7-48.5175173.6-100.9000111.4L189 S290 L291 K292 K297 M298L189-F294 HydrophobicContact CD1-CZ 4.2Å; L189-F294 HydrophobicContact CD2-CE1 3.99Å; L189-F294 HydrophobicContact CD2-CZ 3.94Å; S290-F294 VanDerWaalsContact O-CB 3.32Å; S290-F294 WeakPolarHBondContact O-CB 3.35Å; S290-F294 PolarHBondContact O-N 2.9Å; L291-F294 PolarHBondContact O-N 3.34Å; K292-F294 VanDerWaalsContact C-N 3.29Å; K292-F294 PolarHBondContact O-N 3.17Å; F294-K297 PolarHBondContact O-N 3.41Å; F294-M298 HydrophobicContact CD1-CE 4.02Å; F294-M298 HydrophobicContact CD1-SD 4.47Å; F294-M298 HydrophobicContact CE1-CE 3.38Å; F294-M298 HydrophobicContact CE1-CG 4.33Å; F294-M298 HydrophobicContact CE1-SD 3.63Å; F294-M298 HydrophobicContact CE2-CG 4.17Å; F294-M298 HydrophobicContact CE2-SD 4.02Å; F294-M298 HydrophobicContact CZ-CE 3.82Å; F294-M298 HydrophobicContact CZ-CG 4.06Å; F294-M298 HydrophobicContact CZ-SD 3.36Å; F294-M298 WeakPolarHBondContact CZ-SD 3.46Å; F294-M298 WeakPolarHBondContact O-CG 3.46Å; F294-M298 PolarHBondContact O-N 2.84Å
295T91Very high89.4Confident68 Ų6891.1 Ų91.142%0.41745%0.451SS..Hα-helixtrans-63.3-48.2178.7-57.50000112.4L291 K292 K297 M298 Q299L291-T295 PolarHBondContact O-N 2.83Å; L291-T295 VanDerWaalsContact O-N 3.08Å; L291-T295 PolarHBondContact O-OG1 2.83Å; K292-T295 PolarHBondContact O-N 2.8Å; T295-K297 VanDerWaalsContact C-N 3.34Å; T295-K297 PolarHBondContact O-N 2.88Å; T295-M298 PolarHBondContact O-N 2.95Å; T295-Q299 WeakPolarHBondContact O-CG 3.5Å; T295-Q299 PolarHBondContact O-N 3.45Å; T295-Q299 VanDerWaalsContact O-N 3.1Å
296E92.9Very high88.8Confident99 Ų9990.3 Ų90.346%0.46344%0.444SS..Hα-helixtrans-62.5-41.9179.4-71.1174.7172.300111.6K292 Q299 S300K292-E296 WeakPolarHBondContact CE-OE1 3.37Å; K292-E296 IonicContact NZ-OE1 2.72Å; K292-E296 WeakPolarHBondContact O-CG 3.48Å; K292-E296 PolarHBondContact O-N 2.77Å; E296-Q299 PolarHBondContact O-N 3.45Å; E296-S300 WeakPolarHBondContact O-CB 3.41Å; E296-S300 PolarHBondContact O-N 3.3Å
297K90.4Very high88.3Confident129 Ų12987.3 Ų87.356%0.56143%0.432SS*.Hα-helixtrans-64-44.7177-174.7-177.8176.1-166.40111.6Q293 F294 T295 Q299 S300 D301Q293-K297 WeakPolarHBondContact O-CB 3.44Å; Q293-K297 PolarHBondContact O-N 2.96Å; F294-K297 PolarHBondContact O-N 3.41Å; T295-K297 VanDerWaalsContact C-N 3.34Å; T295-K297 PolarHBondContact O-N 2.88Å; K297-Q299 VanDerWaalsContact C-N 3.31Å; K297-Q299 PolarHBondContact O-N 3.13Å; K297-S300 PolarHBondContact O-N 3.5Å; K297-D301 VanDerWaalsContact CE-OD2 3.23Å; K297-D301 WeakPolarHBondContact CE-OD2 3.24Å; K297-D301 WeakPolarHBondContact CG-OD2 3.35Å; K297-D301 WeakPolarHBondContact O-CB 3.17Å; K297-D301 VanDerWaalsContact O-CG 3.28Å; K297-D301 PolarHBondContact O-N 2.96Å
298M87.1Confident88Confident71 Ų7184.3 Ų84.335%0.3542%0.416SS..Hα-helixtrans-58.3-44.5176.9-76.5-158.3-53.900111.7F294 T295 D301 M302F294-M298 HydrophobicContact CD1-CE 4.02Å; F294-M298 HydrophobicContact CD1-SD 4.47Å; F294-M298 HydrophobicContact CE1-CE 3.38Å; F294-M298 HydrophobicContact CE1-CG 4.33Å; F294-M298 HydrophobicContact CE1-SD 3.63Å; F294-M298 HydrophobicContact CE2-CG 4.17Å; F294-M298 HydrophobicContact CE2-SD 4.02Å; F294-M298 HydrophobicContact CZ-CE 3.82Å; F294-M298 HydrophobicContact CZ-CG 4.06Å; F294-M298 HydrophobicContact CZ-SD 3.36Å; F294-M298 WeakPolarHBondContact CZ-SD 3.46Å; F294-M298 WeakPolarHBondContact O-CG 3.46Å; F294-M298 PolarHBondContact O-N 2.84Å; T295-M298 PolarHBondContact O-N 2.95Å; M298-D301 PolarHBondContact O-N 3.28Å; M298-M302 WeakPolarHBondContact O-CB 3.31Å; M298-M302 VanDerWaalsContact O-CG 3.23Å; M298-M302 WeakPolarHBondContact O-CG 3.45Å; M298-M302 PolarHBondContact O-N 2.94Å
299Q87.4Confident87.7Confident116 Ų11687.2 Ų87.254%0.54242%0.417SS..Hα-helixtrans-61.7-50.3177.1-72174.7-17.400111.4T295 E296 K297 D301 M302 E303T295-Q299 WeakPolarHBondContact O-CG 3.5Å; T295-Q299 PolarHBondContact O-N 3.45Å; T295-Q299 VanDerWaalsContact O-N 3.1Å; E296-Q299 PolarHBondContact O-N 3.45Å; K297-Q299 VanDerWaalsContact C-N 3.31Å; K297-Q299 PolarHBondContact O-N 3.13Å; Q299-D301 VanDerWaalsContact C-N 3.34Å; Q299-D301 PolarHBondContact O-N 2.8Å; Q299-M302 PolarHBondContact O-N 3.45Å; Q299-E303 WeakPolarHBondContact O-CG 3.23Å; Q299-E303 PolarHBondContact O-N 2.98Å
300S84.2Confident87.4Confident44 Ų4487.7 Ų87.731%0.30842%0.419SS..Hα-helixtrans-61-40.9179.5-174.30000112.7E296 K297 E303 K304E296-S300 WeakPolarHBondContact O-CB 3.41Å; E296-S300 PolarHBondContact O-N 3.3Å; K297-S300 PolarHBondContact O-N 3.5Å; S300-E303 PolarHBondContact O-N 2.91Å; S300-K304 VanDerWaalsContact O-CG 3.24Å; S300-K304 WeakPolarHBondContact O-CG 3.48Å; S300-K304 PolarHBondContact O-N 2.86Å; S300-K304 WeakPolarHBondContact OG-CE 3.4Å; S300-K304 PolarHBondContact OG-NZ 3.23Å; S300-K304 VanDerWaalsContact OG-NZ 3.11Å
301D82.8Confident87.2Confident60 Ų6086.1 Ų86.132%0.32141%0.408SS..Hα-helixtrans-71.7-31.8179.6-69.1-11.2000111.7K297 M298 Q299 K304 I305K297-D301 VanDerWaalsContact CE-OD2 3.23Å; K297-D301 WeakPolarHBondContact CE-OD2 3.24Å; K297-D301 WeakPolarHBondContact CG-OD2 3.35Å; K297-D301 WeakPolarHBondContact O-CB 3.17Å; K297-D301 VanDerWaalsContact O-CG 3.28Å; K297-D301 PolarHBondContact O-N 2.96Å; M298-D301 PolarHBondContact O-N 3.28Å; Q299-D301 VanDerWaalsContact C-N 3.34Å; Q299-D301 PolarHBondContact O-N 2.8Å; D301-K304 IonicContact OD1-NZ 2.71Å; D301-K304 PolarHBondContact OD1-NZ 3.48Å; D301-I305 WeakPolarHBondContact O-CG1 3.41Å; D301-I305 PolarHBondContact O-N 3.05Å
302M81.3Confident87.1Confident140 Ų14085.3 Ų85.369%0.6940%0.402SS*.Hα-helixtrans-66-43171.9-74.5178.770.400112.2M298 Q299 I305 Q306M298-M302 WeakPolarHBondContact O-CB 3.31Å; M298-M302 VanDerWaalsContact O-CG 3.23Å; M298-M302 WeakPolarHBondContact O-CG 3.45Å; M298-M302 PolarHBondContact O-N 2.94Å; Q299-M302 PolarHBondContact O-N 3.45Å; M302-I305 PolarHBondContact O-N 3.29Å; M302-Q306 PolarHBondContact O-N 2.94Å
303E81.5Confident87Confident122 Ų12285.7 Ų85.757%0.5741%0.409SS*.Hα-helixtrans-63.3-45176.6-71.2170174.900111.5Q299 S300 I305 Q306 E307Q299-E303 WeakPolarHBondContact O-CG 3.23Å; Q299-E303 PolarHBondContact O-N 2.98Å; S300-E303 PolarHBondContact O-N 2.91Å; E303-I305 VanDerWaalsContact C-N 3.33Å; E303-I305 PolarHBondContact O-N 3.43Å; E303-Q306 WeakPolarHBondContact O-CB 3.35Å; E303-Q306 PolarHBondContact O-N 3.38Å; E303-E307 PolarHBondContact O-N 2.89Å
304K78.4Confident86.9Confident62 Ų6285 Ų8527%0.2740%0.402SS..Hα-helixtrans-59.5-39.4178.4-72.6166.4-163.2152.40113.7S300 D301 Q306 E307 L308 C456S300-K304 VanDerWaalsContact O-CG 3.24Å; S300-K304 WeakPolarHBondContact O-CG 3.48Å; S300-K304 PolarHBondContact O-N 2.86Å; S300-K304 WeakPolarHBondContact OG-CE 3.4Å; S300-K304 PolarHBondContact OG-NZ 3.23Å; S300-K304 VanDerWaalsContact OG-NZ 3.11Å; D301-K304 IonicContact OD1-NZ 2.71Å; D301-K304 PolarHBondContact OD1-NZ 3.48Å; K304-Q306 VanDerWaalsContact C-N 3.26Å; K304-Q306 PolarHBondContact O-N 2.92Å; K304-E307 PolarHBondContact O-N 3.47Å; K304-L308 PolarHBondContact O-N 3.4Å; K304-C456 HydrophobicContact CD-CB 4.31Å
305I78.4Confident87Confident59 Ų5982.6 Ų82.630%0.30340%0.397SS..Hα-helixtrans-64.9-36.3177.5-69.6167.1000110.4D301 M302 E303 R309 R455D301-I305 WeakPolarHBondContact O-CG1 3.41Å; D301-I305 PolarHBondContact O-N 3.05Å; M302-I305 PolarHBondContact O-N 3.29Å; E303-I305 VanDerWaalsContact C-N 3.33Å; E303-I305 PolarHBondContact O-N 3.43Å; I305-R309 PolarHBondContact O-N 3.49Å; I305-R455 HydrophobicContact CG1-CB 4.34Å
306Q82.9Confident87.2Confident114 Ų11481.1 Ų81.153%0.53339%0.387SS..Hα-helixtrans-66.5-46.8176.9-177.4177.2-22.200111.1M302 E303 K304 L308 R309 E310M302-Q306 PolarHBondContact O-N 2.94Å; E303-Q306 WeakPolarHBondContact O-CB 3.35Å; E303-Q306 PolarHBondContact O-N 3.38Å; K304-Q306 VanDerWaalsContact C-N 3.26Å; K304-Q306 PolarHBondContact O-N 2.92Å; Q306-L308 PolarHBondContact O-N 3.4Å; Q306-R309 PolarHBondContact O-N 3.21Å; Q306-R309 VanDerWaalsContact O-N 3.14Å; Q306-E310 HydrophobicContact CG-CG 4.36Å; Q306-E310 VanDerWaalsContact CG-OE1 3.31Å; Q306-E310 WeakPolarHBondContact CG-OE1 3.31Å; Q306-E310 PolarHBondContact NE2-OE1 3.06Å; Q306-E310 WeakPolarHBondContact O-CG 3.41Å; Q306-E310 PolarHBondContact O-N 3.22Å
307E84.5Confident87.2Confident86 Ų8680 Ų8040%0.40239%0.385SS..Hα-helixtrans-56.7-47.5178.8-69.5177-177.300112.8E303 K304 R309 E310 A311E303-E307 PolarHBondContact O-N 2.89Å; K304-E307 PolarHBondContact O-N 3.47Å; E307-R309 VanDerWaalsContact C-N 3.33Å; E307-R309 PolarHBondContact O-N 2.95Å; E307-E310 PolarHBondContact O-N 3.47Å; E307-A311 PolarHBondContact O-N 2.96Å
308L87.4Confident87.5Confident5 Ų573.9 Ų73.93%0.02636%0.358CS..Hα-helixtrans-63.1-40.9177.617760.4000111.5K304 Q306 E310 A311 Q312 Y372 Y450 R455K304-L308 PolarHBondContact O-N 3.4Å; Q306-L308 PolarHBondContact O-N 3.4Å; L308-E310 VanDerWaalsContact C-N 3.35Å; L308-A311 PolarHBondContact O-N 2.93Å; L308-Q312 HydrophobicContact CD1-CG 4.37Å; L308-Q312 WeakPolarHBondContact O-CB 3.49Å; L308-Q312 VanDerWaalsContact O-CG 3.31Å; L308-Q312 WeakPolarHBondContact O-CG 3.28Å; L308-Q312 PolarHBondContact O-N 3.4Å; L308-Y372 HydrophobicContact CD1-CE2 4.18Å; L308-Y372 WeakPolarHBondContact CD1-OH 3.39Å; L308-Y450 HydrophobicContact CB-CD1 4.27Å; L308-Y450 HydrophobicContact CD1-CD1 4.02Å; L308-Y450 HydrophobicContact CD1-CD2 4.31Å; L308-Y450 HydrophobicContact CD1-CG 3.78Å; L308-R455 HydrophobicContact CD2-CB 4.02Å; L308-R455 HydrophobicContact CD2-CG 4.25Å
309R87.5Confident87.9Confident158 Ų15872.3 Ų72.360%0.59635%0.353SS*.Hα-helixtrans-65.7-38.8177.8-82.1-149.4-106.3-104.66112.5I305 Q306 E307 Q312 L313I305-R309 PolarHBondContact O-N 3.49Å; Q306-R309 PolarHBondContact O-N 3.21Å; Q306-R309 VanDerWaalsContact O-N 3.14Å; E307-R309 VanDerWaalsContact C-N 3.33Å; E307-R309 PolarHBondContact O-N 2.95Å; R309-Q312 PolarHBondContact O-N 3.06Å; R309-L313 PolarHBondContact O-N 3.49Å
310E88.5Confident88.4Confident95 Ų9566.9 Ų66.944%0.44433%0.327SS..Hα-helixtrans-63.8-41.8175-73.3177-171.400111.2Q306 E307 L308 Q312 L313 Y314Q306-E310 HydrophobicContact CG-CG 4.36Å; Q306-E310 VanDerWaalsContact CG-OE1 3.31Å; Q306-E310 WeakPolarHBondContact CG-OE1 3.31Å; Q306-E310 PolarHBondContact NE2-OE1 3.06Å; Q306-E310 WeakPolarHBondContact O-CG 3.41Å; Q306-E310 PolarHBondContact O-N 3.22Å; E307-E310 PolarHBondContact O-N 3.47Å; L308-E310 VanDerWaalsContact C-N 3.35Å; E310-Q312 VanDerWaalsContact C-N 3.35Å; E310-Q312 PolarHBondContact O-N 2.89Å; E310-L313 WeakPolarHBondContact O-CB 3.32Å; E310-L313 PolarHBondContact O-N 3.35Å; E310-Y314 VanDerWaalsContact O-CD2 3.23Å; E310-Y314 WeakPolarHBondContact O-CD2 3.4Å; E310-Y314 WeakPolarHBondContact O-CE2 3.33Å
311A89.5Confident89Confident3 Ų366.1 Ų66.13%0.02532%0.32CS..Hα-helixtrans-60.2-44.3172.400000111.6E307 L308 L313 Y314 Y372 F439 Y450E307-A311 PolarHBondContact O-N 2.96Å; L308-A311 PolarHBondContact O-N 2.93Å; A311-L313 PolarHBondContact O-N 3.32Å; A311-Y314 PolarHBondContact O-N 3.48Å; A311-Y372 HydrophobicContact CB-CD2 3.87Å; A311-Y372 HydrophobicContact CB-CE2 4.21Å; A311-Y372 WeakPolarHBondContact O-CB 3.49Å; A311-F439 HydrophobicContact CB-CB 4.17Å; A311-F439 HydrophobicContact CB-CD2 3.66Å; A311-F439 HydrophobicContact CB-CE2 4.19Å; A311-F439 HydrophobicContact CB-CG 3.91Å; A311-Y450 HydrophobicContact CB-CE2 4.25Å
312Q91.6Very high89.6Confident58 Ų5866 Ų6627%0.27132%0.322SS..Hα-helixtrans-62.4-21.3178.6-76.2175.3-30.200114L308 R309 E310 Y314 S315 Y372 E374L308-Q312 HydrophobicContact CD1-CG 4.37Å; L308-Q312 WeakPolarHBondContact O-CB 3.49Å; L308-Q312 VanDerWaalsContact O-CG 3.31Å; L308-Q312 WeakPolarHBondContact O-CG 3.28Å; L308-Q312 PolarHBondContact O-N 3.4Å; R309-Q312 PolarHBondContact O-N 3.06Å; E310-Q312 VanDerWaalsContact C-N 3.35Å; E310-Q312 PolarHBondContact O-N 2.89Å; Q312-Y314 PolarHBondContact O-N 3.49Å; Q312-S315 WeakPolarHBondContact O-CB 3.41Å; Q312-S315 PolarHBondContact O-N 2.88Å; Q312-S315 PolarHBondContact O-OG 2.9Å; Q312-Y372 HydrophobicContact CB-CE1 4.36Å; Q312-Y372 HydrophobicContact CG-CD1 4.06Å; Q312-Y372 HydrophobicContact CG-CE1 3.46Å; Q312-Y372 VanDerWaalsContact CG-CE1 3.46Å; Q312-Y372 HydrophobicContact CG-CE2 4.48Å; Q312-E374 PolarHBondContact NE2-OE1 3.31Å
313L91.2Very high90.2Very high119 Ų11963.9 Ų63.962%0.62331%0.314SS*.THydrogen-bonded Turntrans-61.9-24.8172.2-66.2174.2000112.5R309 E310 A311 S315 I495R309-L313 PolarHBondContact O-N 3.49Å; E310-L313 WeakPolarHBondContact O-CB 3.32Å; E310-L313 PolarHBondContact O-N 3.35Å; A311-L313 PolarHBondContact O-N 3.32Å; L313-S315 VanDerWaalsContact C-N 3.32Å; L313-I495 HydrophobicContact CD2-CD1 4.34Å
314Y93.8Very high90.9Very high88 Ų8858.3 Ų58.335%0.34529%0.288SS..THydrogen-bonded Turntrans-97.624.1-179.7-56.5-78.4000112.6E310 A311 Q312 V316 R370 H371 Y372 F439E310-Y314 VanDerWaalsContact O-CD2 3.23Å; E310-Y314 WeakPolarHBondContact O-CD2 3.4Å; E310-Y314 WeakPolarHBondContact O-CE2 3.33Å; A311-Y314 PolarHBondContact O-N 3.48Å; Q312-Y314 PolarHBondContact O-N 3.49Å; Y314-V316 PolarHBondContact O-N 2.92Å; Y314-R370 HydrophobicContact CD1-CB 3.61Å; Y314-R370 HydrophobicContact CD2-CB 4.05Å; Y314-R370 HydrophobicContact CE1-CB 3.93Å; Y314-R370 HydrophobicContact CE2-CB 4.33Å; Y314-R370 HydrophobicContact CG-CB 3.66Å; Y314-R370 PolarHBondContact OH-NH1 3.38Å; Y314-H371 CarbonylContact O-C 3.46Å; Y314-H371 WeakPolarHBondContact O-CA 3.3Å; Y314-Y372 PolarHBondContact O-N 2.96Å; Y314-F439 AromaticContact CD2-CE2 3.72Å; Y314-F439 HydrophobicContact CD2-CE2 3.72Å; Y314-F439 HydrophobicContact CD2-CZ 4.28Å; Y314-F439 HydrophobicContact CE2-CE2 4.44Å; Y314-F439 HydrophobicContact CG-CE2 4.25Å
315S94.3Very high91.6Very high39 Ų3955.5 Ų55.527%0.27328%0.276SS..BIsolated β-bridgetrans-57.7128.5180-67.60000111.5Q312 L313 Y372 M492Q312-S315 WeakPolarHBondContact O-CB 3.41Å; Q312-S315 PolarHBondContact O-N 2.88Å; Q312-S315 PolarHBondContact O-OG 2.9Å; L313-S315 VanDerWaalsContact C-N 3.32Å; S315-Y372 CarbonylContact C-O 3.59Å; S315-Y372 WeakPolarHBondContact CA-O 3.29Å; S315-M492 WeakPolarHBondContact O-CE 3.31Å
316V94.7Very high92.3Very high36 Ų3653.7 Ų53.722%0.21827%0.266CS..  trans-121149.6176.9-69.60000110.7Y314 V318 F366 H371 Y372 W373Y314-V316 PolarHBondContact O-N 2.92Å; V316-V318 HydrophobicContact CG2-CG2 4.02Å; V316-V318 PolarHBondContact O-N 3.06Å; V316-F366 HydrophobicContact CG1-CE1 4.49Å; V316-F366 HydrophobicContact CG2-CE1 4.02Å; V316-F366 HydrophobicContact CG2-CZ 3.79Å; V316-H371 HydrophobicContact CG1-CB 4.27Å; V316-H371 WeakPolarHBondContact CG1-ND1 3.45Å; V316-H371 HydrophobicContact CG2-CB 3.95Å; V316-Y372 WeakPolarHBondContact CG2-O 3.36Å; V316-Y372 PolarHBondContact N-O 3.28Å; V316-W373 HydrophobicContact CG2-CE3 4.11Å
317D94Very high92.8Very high76 Ų7649.3 Ų49.341%0.40625%0.247SC..  trans-80.4111.5176.4-164.329.6000109.6R336 M492D317-R336 VanDerWaalsContact CG-NH2 3.34Å; D317-R336 IonicContact OD1-CZ 2.8Å; D317-R336 IonicContact OD1-NH1 3.91Å; D317-R336 PolarHBondContact OD1-NH1 3.02Å; D317-R336 IonicContact OD1-NH2 3.06Å; D317-R336 PolarHBondContact OD1-NH2 3.33Å; D317-R336 IonicContact OD2-NH2 3.13Å; D317-R336 PolarHBondContact OD2-NH2 3.37Å; D317-M492 HydrophobicContact CB-CE 4.11Å; D317-M492 VanDerWaalsContact N-CE 3.35Å
318V95.6Very high93.2Very high1 Ų145.4 Ų45.41%0.00623%0.229CC..  trans-106.1133.3177.8179.40000109.9V316 S363 F366 W373 P472 F474 I489V316-V318 HydrophobicContact CG2-CG2 4.02Å; V316-V318 PolarHBondContact O-N 3.06Å; V318-S363 WeakPolarHBondContact CA-O 3.47Å; V318-F366 HydrophobicContact CG2-CZ 4.49Å; V318-W373 HydrophobicContact CB-CB 4.28Å; V318-W373 HydrophobicContact CB-CG 4.3Å; V318-W373 HydrophobicContact CG2-CB 3.71Å; V318-W373 HydrophobicContact CG2-CD2 3.88Å; V318-W373 HydrophobicContact CG2-CE3 4.13Å; V318-W373 HydrophobicContact CG2-CG 3.69Å; V318-P472 HydrophobicContact CG1-CB 4.03Å; V318-P472 HydrophobicContact CG1-CG 3.69Å; V318-P472 HydrophobicContact CG2-CG 4.2Å; V318-F474 HydrophobicContact CG1-CZ 4.35Å; V318-I489 HydrophobicContact CB-CG2 4.13Å; V318-I489 HydrophobicContact CG1-CD1 4Å; V318-I489 HydrophobicContact CG1-CG2 4.47Å; V318-I489 WeakPolarHBondContact O-CG2 3.19Å
319T96.7Very high93.4Very high38 Ų3845.2 Ų45.223%0.23323%0.228CC..EExtended strand (participates in β ladder)trans-127.1157.3172.356.80000110.5G362 S363T319-G362 CarbonylContact O-C 3.43Å; T319-G362 WeakPolarHBondContact O-CA 3.42Å; T319-S363 PolarHBondContact N-O 3.13Å; T319-S363 PolarHBondContact O-N 2.93Å
320L97.3Very high93.7Very high2 Ų239.7 Ų39.71%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-76137.8177.9-64.2160.3000109.9P322 L331 L335 Q337 V338 V360 F474 I489L320-P322 WeakPolarHBondContact O-CD 3.42Å; L320-L331 HydrophobicContact CB-CD1 4.41Å; L320-L331 HydrophobicContact CB-CD2 4.38Å; L320-L331 HydrophobicContact CD1-CD2 4.1Å; L320-L335 HydrophobicContact CB-CB 4.47Å; L320-L335 WeakPolarHBondContact CB-O 3.46Å; L320-L335 WeakPolarHBondContact CG-O 3.35Å; L320-L335 PolarHBondContact N-O 3.23Å; L320-Q337 WeakPolarHBondContact CD1-O 3.34Å; L320-V338 HydrophobicContact CD1-CB 3.81Å; L320-V338 HydrophobicContact CD1-CG1 4.05Å; L320-V338 HydrophobicContact CD2-CG1 4.28Å; L320-V360 HydrophobicContact CB-CG2 4.37Å; L320-V360 HydrophobicContact CD2-CG1 3.75Å; L320-V360 HydrophobicContact CD2-CG2 4.1Å; L320-F474 HydrophobicContact CD2-CD2 3.65Å; L320-F474 HydrophobicContact CD2-CE2 3.93Å; L320-F474 HydrophobicContact CD2-CG 4.39Å; L320-I489 HydrophobicContact CD2-CD1 3.8Å; L320-I489 HydrophobicContact CG-CD1 3.74Å
321D96.3Very high93.9Very high28 Ų2836.8 Ų36.815%0.1520%0.197CC..  trans-92.6109178-174-17.4000110.8D323 T324 L361 R471D321-D323 PolarHBondContact O-N 2.97Å; D321-D323 PolarHBondContact OD1-N 3.5Å; D321-T324 HydrophobicContact CB-CG2 4.03Å; D321-T324 PolarHBondContact O-N 2.85Å; D321-T324 PolarHBondContact O-OG1 3.18Å; D321-L361 PolarHBondContact N-O 3.02Å; D321-R471 IonicContact OD2-CZ 3.49Å; D321-R471 VanDerWaalsContact OD2-CZ 3.24Å; D321-R471 IonicContact OD2-NH1 3.36Å; D321-R471 PolarHBondContact OD2-NH1 3.16Å; D321-R471 IonicContact OD2-NH2 3.18Å; D321-R471 PolarHBondContact OD2-NH2 3.41Å
322P95.4Very high94.2Very high56 Ų5637.9 Ų37.936%0.36421%0.205SC..THydrogen-bonded Turntrans-60.9-27.3-178.2-22.234.9000114.5L320 T324 A325 L331 L335 R353L320-P322 WeakPolarHBondContact O-CD 3.42Å; P322-T324 PolarHBondContact O-N 3.17Å; P322-A325 PolarHBondContact O-N 2.82Å; P322-L331 HydrophobicContact CB-CD1 4.01Å; P322-L331 HydrophobicContact CG-CD1 4.08Å; P322-L335 HydrophobicContact CG-CD1 4.12Å; P322-L335 HydrophobicContact CG-CD2 3.73Å; P322-R353 PolarHBondContact O-NH1 3.04Å
323D95Very high94.2Very high97 Ų9743.2 Ų43.252%0.51924%0.236SC..THydrogen-bonded Turntrans-75.4-17.3-176.8-68.1-29.3000112.1D321 N350 R353D321-D323 PolarHBondContact O-N 2.97Å; D321-D323 PolarHBondContact OD1-N 3.5Å; D323-N350 PolarHBondContact O-ND2 3.14Å; D323-R353 WeakPolarHBondContact O-CB 3.46Å; D323-R353 PolarHBondContact O-N 2.91Å
324T95.1Very high94.3Very high4 Ų441.9 Ų41.93%0.02523%0.229CC..THydrogen-bonded Turntrans-96.1-20.5178.870.90000113.4D321 P322 E352 F354 L361D321-T324 HydrophobicContact CB-CG2 4.03Å; D321-T324 PolarHBondContact O-N 2.85Å; D321-T324 PolarHBondContact O-OG1 3.18Å; P322-T324 PolarHBondContact O-N 3.17Å; T324-E352 HydrophobicContact CG2-CB 4.49Å; T324-F354 WeakPolarHBondContact O-CD2 3.42Å; T324-F354 PolarHBondContact O-N 2.91Å; T324-L361 HydrophobicContact CG2-CB 4.07Å; T324-L361 HydrophobicContact CG2-CD1 3.89Å; T324-L361 HydrophobicContact CG2-CG 4.09Å; T324-L361 PolarHBondContact OG1-N 2.87Å
325A94.5Very high94.4Very high3 Ų340.2 Ų40.23%0.02523%0.226CC..SBendtrans-68.4131-167.700000113.5P322 L331 R353 V360P322-A325 PolarHBondContact O-N 2.82Å; A325-L331 HydrophobicContact CB-CD1 4.11Å; A325-L331 HydrophobicContact CB-CD2 4.35Å; A325-L331 HydrophobicContact CB-CG 4.48Å; A325-R353 WeakPolarHBondContact O-CD 3.48Å; A325-R353 WeakPolarHBondContact O-CG 3.43Å; A325-R353 PolarHBondContact O-NH1 3.44Å; A325-V360 HydrophobicContact CB-CB 4.05Å; A325-V360 HydrophobicContact CB-CG2 3.68Å
326Y93.6Very high94.5Very high21 Ų2140.4 Ų40.48%0.08222%0.221CC..  trans-54.1137.2171.6177.2-105.1000111.9S328 L329 Q344 F354 N355 F357 P358 C359Y326-S328 VanDerWaalsContact CE1-OG 3.28Å; Y326-S328 WeakPolarHBondContact CE1-OG 3.45Å; Y326-S328 PolarHBondContact O-N 2.85Å; Y326-L329 HydrophobicContact CD1-CG 4.43Å; Y326-L329 VanDerWaalsContact O-CB 3.3Å; Y326-L329 WeakPolarHBondContact O-CB 3.27Å; Y326-L329 PolarHBondContact O-N 3.48Å; Y326-Q344 PolarHBondContact OH-NE2 2.96Å; Y326-F354 WeakPolarHBondContact CA-O 3.44Å; Y326-F354 WeakPolarHBondContact CD2-O 3.45Å; Y326-N355 WeakPolarHBondContact CE2-O 3.44Å; Y326-F357 WeakPolarHBondContact CB-O 3.29Å; Y326-F357 WeakPolarHBondContact CD2-O 3.42Å; Y326-P358 HydrophobicContact CD1-CB 4.09Å; Y326-C359 PolarHBondContact N-O 2.76Å
327P93.3Very high94.4Very high23 Ų2342.2 Ų42.215%0.14923%0.227CC..THydrogen-bonded Turntrans-56.9-25-169.6-29.935.9000117.1L329 Q344 Q345P327-L329 VanDerWaalsContact C-N 3.32Å; P327-Q344 HydrophobicContact CB-CB 4.5Å; P327-Q344 HydrophobicContact CB-CG 4.35Å; P327-Q345 PolarHBondContact O-N 3.33Å; P327-Q345 PolarHBondContact O-NE2 3.35Å
328S91.8Very high94.4Very high3 Ų338.7 Ų38.72%0.02121%0.208CC..THydrogen-bonded Turntrans-84.91.5175.2-570000114.3Y326 S341 Q344Y326-S328 VanDerWaalsContact CE1-OG 3.28Å; Y326-S328 WeakPolarHBondContact CE1-OG 3.45Å; Y326-S328 PolarHBondContact O-N 2.85Å; S328-S341 VanDerWaalsContact CB-O 3.31Å; S328-S341 WeakPolarHBondContact CB-O 3.46Å; S328-S341 WeakPolarHBondContact O-CB 3.45Å; S328-S341 PolarHBondContact O-N 3.43Å; S328-Q344 WeakPolarHBondContact OG-CG 3.34Å
329L92.7Very high94.2Very high2 Ų243.9 Ų43.91%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-91.7125.6176.5-64.7-179000110.2Y326 P327 V338 R339 Y340 Q345 P358 C359 V360 L476Y326-L329 HydrophobicContact CD1-CG 4.43Å; Y326-L329 VanDerWaalsContact O-CB 3.3Å; Y326-L329 WeakPolarHBondContact O-CB 3.27Å; Y326-L329 PolarHBondContact O-N 3.48Å; P327-L329 VanDerWaalsContact C-N 3.32Å; L329-V338 HydrophobicContact CB-CG2 3.91Å; L329-V338 HydrophobicContact CD1-CG2 4.05Å; L329-V338 HydrophobicContact CD2-CG2 3.98Å; L329-V338 HydrophobicContact CG-CG2 4.2Å; L329-R339 WeakPolarHBondContact CA-O 3.34Å; L329-Y340 HydrophobicContact CD2-CD2 4.33Å; L329-Q345 PolarHBondContact O-NE2 2.93Å; L329-P358 HydrophobicContact CD2-CB 3.97Å; L329-P358 HydrophobicContact CG-CB 4.48Å; L329-C359 WeakPolarHBondContact CD1-O 3.43Å; L329-V360 HydrophobicContact CD1-CB 3.97Å; L329-V360 HydrophobicContact CD1-CG1 4.07Å; L329-L476 HydrophobicContact CD2-CB 4.32Å; L329-L476 HydrophobicContact CD2-CD1 4.23Å; L329-L476 HydrophobicContact CD2-CD2 4.18Å; L329-L476 HydrophobicContact CD2-CG 4.49Å
330I92.4Very high93.9Very high41 Ų4143.8 Ų43.821%0.2122%0.223CC..EExtended strand (participates in β ladder)trans-98.8119.6174.7-62.4178.1000107.8V338 R339 S341I330-V338 WeakPolarHBondContact O-CA 3.48Å; I330-R339 HydrophobicContact CB-CG 4.08Å; I330-R339 PolarHBondContact N-O 2.94Å; I330-R339 PolarHBondContact O-N 3.45Å; I330-S341 VanDerWaalsContact CD1-CB 3.49Å
331L93.9Very high93.4Very high34 Ų3444.5 Ų44.518%0.17823%0.228CC..EExtended strand (participates in β ladder)trans-91.6145.2174.5-48-177000109.4L320 P322 A325 L335 Q337 V338 V360L320-L331 HydrophobicContact CB-CD1 4.41Å; L320-L331 HydrophobicContact CB-CD2 4.38Å; L320-L331 HydrophobicContact CD1-CD2 4.1Å; P322-L331 HydrophobicContact CB-CD1 4.01Å; P322-L331 HydrophobicContact CG-CD1 4.08Å; A325-L331 HydrophobicContact CB-CD1 4.11Å; A325-L331 HydrophobicContact CB-CD2 4.35Å; A325-L331 HydrophobicContact CB-CG 4.48Å; L331-L335 HydrophobicContact CB-CD2 4.29Å; L331-L335 HydrophobicContact CD1-CD2 4.26Å; L331-Q337 CarbonylContact C-O 3.58Å; L331-Q337 WeakPolarHBondContact CA-O 3.39Å; L331-V338 HydrophobicContact CD2-CB 3.85Å; L331-V338 HydrophobicContact CD2-CG2 3.76Å; L331-V360 HydrophobicContact CD2-CG2 4.37Å
332S94.3Very high92.9Very high27 Ų2750.8 Ų50.819%0.18925%0.251CS..PPolyproline II helixtrans-74159.6169.455.70000111.8N334 L335 R336 Q337S332-N334 WeakPolarHBondContact CB-OD1 3.32Å; S332-N334 PolarHBondContact O-N 2.62Å; S332-N334 PolarHBondContact OG-OD1 2.9Å; S332-L335 WeakPolarHBondContact O-CA 3.44Å; S332-L335 PolarHBondContact O-N 3.5Å; S332-R336 PolarHBondContact OG-N 3.47Å; S332-Q337 PolarHBondContact N-O 3.31Å; S332-Q337 WeakPolarHBondContact OG-CB 3.38Å; S332-Q337 PolarHBondContact OG-N 2.94Å; S332-Q337 PolarHBondContact OG-O 2.92Å
333D92.9Very high92.4Very high170 Ų17054.7 Ų54.791%0.90927%0.268SS*.THydrogen-bonded Turntrans-58.4-32.8-179.3-58.7-21.7000113.5L335D333-L335 PolarHBondContact O-N 3.4Å
334N93.2Very high91.9Very high90 Ų9056 Ų5648%0.48127%0.271SS..THydrogen-bonded Turntrans-82.72.3176.568.6-1.7000113.7S332 R336S332-N334 WeakPolarHBondContact CB-OD1 3.32Å; S332-N334 PolarHBondContact O-N 2.62Å; S332-N334 PolarHBondContact OG-OD1 2.9Å; N334-R336 PolarHBondContact O-N 2.88Å; N334-R336 VanDerWaalsContact O-N 3.14Å; N334-R336 PolarHBondContact OD1-N 3.24Å; N334-R336 VanDerWaalsContact OD1-N 3.12Å
335L95.9Very high91.5Very high54 Ų5459.7 Ų59.728%0.28329%0.288SS..SBendtrans55.428.2-178.8-55.5178.5000114.2L320 P322 L331 S332 D333L320-L335 HydrophobicContact CB-CB 4.47Å; L320-L335 WeakPolarHBondContact CB-O 3.46Å; L320-L335 WeakPolarHBondContact CG-O 3.35Å; L320-L335 PolarHBondContact N-O 3.23Å; P322-L335 HydrophobicContact CG-CD1 4.12Å; P322-L335 HydrophobicContact CG-CD2 3.73Å; L331-L335 HydrophobicContact CB-CD2 4.29Å; L331-L335 HydrophobicContact CD1-CD2 4.26Å; S332-L335 WeakPolarHBondContact O-CA 3.44Å; S332-L335 PolarHBondContact O-N 3.5Å; D333-L335 PolarHBondContact O-N 3.4Å
336R95.1Very high91.3Very high43 Ų4367.7 Ų67.716%0.16233%0.33CS..  trans-109.1-10177.3-68.1-172.1-169.4-90.80.2113.9D317 S332 N334 I488 I489 P491D317-R336 VanDerWaalsContact CG-NH2 3.34Å; D317-R336 IonicContact OD1-CZ 2.8Å; D317-R336 IonicContact OD1-NH1 3.91Å; D317-R336 PolarHBondContact OD1-NH1 3.02Å; D317-R336 IonicContact OD1-NH2 3.06Å; D317-R336 PolarHBondContact OD1-NH2 3.33Å; D317-R336 IonicContact OD2-NH2 3.13Å; D317-R336 PolarHBondContact OD2-NH2 3.37Å; S332-R336 PolarHBondContact OG-N 3.47Å; N334-R336 PolarHBondContact O-N 2.88Å; N334-R336 VanDerWaalsContact O-N 3.14Å; N334-R336 PolarHBondContact OD1-N 3.24Å; N334-R336 VanDerWaalsContact OD1-N 3.12Å; R336-I488 CarbonylContact O-C 3.55Å; R336-I488 WeakPolarHBondContact O-CA 3.38Å; R336-I489 PolarHBondContact O-N 3.31Å; R336-P491 VanDerWaalsContact NH1-CA 3.33Å
337Q94.1Very high91.2Very high74 Ų7469.8 Ų69.835%0.34634%0.343SS..EExtended strand (participates in β ladder)trans-125.9138.4-178.3-50.5-1761.200110.2L320 L331 S332 P486 L487 I488L320-Q337 WeakPolarHBondContact CD1-O 3.34Å; L331-Q337 CarbonylContact C-O 3.58Å; L331-Q337 WeakPolarHBondContact CA-O 3.39Å; S332-Q337 PolarHBondContact N-O 3.31Å; S332-Q337 WeakPolarHBondContact OG-CB 3.38Å; S332-Q337 PolarHBondContact OG-N 2.94Å; S332-Q337 PolarHBondContact OG-O 2.92Å; Q337-P486 HydrophobicContact CB-CB 4.14Å; Q337-L487 VanDerWaalsContact CA-O 3.29Å; Q337-L487 WeakPolarHBondContact CA-O 3.48Å; Q337-I488 HydrophobicContact CG-CB 4.41Å; Q337-I488 HydrophobicContact CG-CG1 4.02Å; Q337-I488 HydrophobicContact CG-CG2 4.08Å
338V93.8Very high91Very high2 Ų272.9 Ų72.91%0.01236%0.363CS..EExtended strand (participates in β ladder)trans-131.4132173.354.40000110.2L320 L329 I330 L331 V360 L476 P486 L487L320-V338 HydrophobicContact CD1-CB 3.81Å; L320-V338 HydrophobicContact CD1-CG1 4.05Å; L320-V338 HydrophobicContact CD2-CG1 4.28Å; L329-V338 HydrophobicContact CB-CG2 3.91Å; L329-V338 HydrophobicContact CD1-CG2 4.05Å; L329-V338 HydrophobicContact CD2-CG2 3.98Å; L329-V338 HydrophobicContact CG-CG2 4.2Å; I330-V338 WeakPolarHBondContact O-CA 3.48Å; L331-V338 HydrophobicContact CD2-CB 3.85Å; L331-V338 HydrophobicContact CD2-CG2 3.76Å; V338-V360 HydrophobicContact CG1-CG1 4.29Å; V338-V360 HydrophobicContact CG2-CG1 4.19Å; V338-L476 HydrophobicContact CG1-CD1 3.89Å; V338-L476 HydrophobicContact CG2-CD1 4.01Å; V338-L476 HydrophobicContact CG2-CD2 4.26Å; V338-P486 CarbonylContact O-C 3.58Å; V338-P486 WeakPolarHBondContact O-CA 3.43Å; V338-P486 WeakPolarHBondContact O-CB 3.49Å; V338-L487 HydrophobicContact CG1-CB 3.89Å; V338-L487 PolarHBondContact N-O 2.93Å; V338-L487 PolarHBondContact O-N 3.23Å
339R91.6Very high90.9Very high109 Ų10978.4 Ų78.441%0.41139%0.392SS..EExtended strand (participates in β ladder)trans-131.6153.1173.664.4-177.3-178.283-0.2111.1L329 I330 P486L329-R339 WeakPolarHBondContact CA-O 3.34Å; I330-R339 HydrophobicContact CB-CG 4.08Å; I330-R339 PolarHBondContact N-O 2.94Å; I330-R339 PolarHBondContact O-N 3.45Å; R339-P486 HydrophobicContact CB-CB 4.19Å
340Y89.3Confident90.8Very high36 Ų3679.7 Ų79.714%0.14140%0.399CS..EExtended strand (participates in β ladder)trans-79.8141.5173.9-175.8-94.4000111L329 Y342 P358 Y478L329-Y340 HydrophobicContact CD2-CD2 4.33Å; Y340-Y342 HydrophobicContact CE1-CD1 4.01Å; Y340-Y342 HydrophobicContact CE1-CE1 4.18Å; Y340-Y342 HydrophobicContact CE1-CG 4.48Å; Y340-P358 HydrophobicContact CD2-CB 4.07Å; Y340-P358 HydrophobicContact CD2-CG 4.42Å; Y340-P358 HydrophobicContact CE2-CB 4.31Å; Y340-P358 HydrophobicContact CE2-CG 4.32Å; Y340-Y478 AromaticContact CE2-CD1 3.91Å; Y340-Y478 HydrophobicContact CE2-CD1 3.91Å; Y340-Y478 AromaticContact CZ-CD1 3.99Å
341S87.9Confident90.8Very high17 Ų1782.3 Ų82.312%0.11942%0.418CS..  trans-125.7145173.7-179.40000110.2S328 I330 L343S328-S341 VanDerWaalsContact CB-O 3.31Å; S328-S341 WeakPolarHBondContact CB-O 3.46Å; S328-S341 WeakPolarHBondContact O-CB 3.45Å; S328-S341 PolarHBondContact O-N 3.43Å; I330-S341 VanDerWaalsContact CD1-CB 3.49Å; S341-L343 PolarHBondContact OG-N 3.19Å; S341-L343 VanDerWaalsContact OG-N 3.16Å; S341-L343 PolarHBondContact OG-O 3.32Å
342Y84.5Confident90.8Very high160 Ų16085.5 Ų85.563%0.62743%0.432SS*.SBendtrans-74.6-19.9170.9-68.6-72.4000113Y340 G480Y340-Y342 HydrophobicContact CE1-CD1 4.01Å; Y340-Y342 HydrophobicContact CE1-CE1 4.18Å; Y340-Y342 HydrophobicContact CE1-CG 4.48Å; Y342-G480 VanDerWaalsContact CZ-CA 3.47Å; Y342-G480 WeakPolarHBondContact OH-CA 3.33Å; Y342-G480 PolarHBondContact OH-N 3.14Å; Y342-G480 PolarHBondContact OH-O 2.94Å
343L86Confident90.8Very high138 Ų13884.5 Ų84.572%0.72343%0.425SS*.SBendtrans-89.5119.5176.1-60.6174.3000108.7S341S341-L343 PolarHBondContact OG-N 3.19Å; S341-L343 VanDerWaalsContact OG-N 3.16Å; S341-L343 PolarHBondContact OG-O 3.32Å
344Q84.3Confident90.7Very high124 Ų12477 Ų7758%0.57938%0.384SS*.PPolyproline II helixtrans-70.8134.3167.6-81.6-174.7-22.500109.5Y326 P327 S328Y326-Q344 PolarHBondContact OH-NE2 2.96Å; P327-Q344 HydrophobicContact CB-CB 4.5Å; P327-Q344 HydrophobicContact CB-CG 4.35Å; S328-Q344 WeakPolarHBondContact OG-CG 3.34Å
345Q87.1Confident90.6Very high83 Ų8376 Ų7639%0.38838%0.378SS..PPolyproline II helixtrans-77.8149.6170.8-67.2167.9100.500109.9P327 L329 L347P327-Q345 PolarHBondContact O-N 3.33Å; P327-Q345 PolarHBondContact O-NE2 3.35Å; L329-Q345 PolarHBondContact O-NE2 2.93Å; Q345-L347 HydrophobicContact CB-CD1 3.96Å; Q345-L347 HydrophobicContact CB-CG 3.83Å; Q345-L347 PolarHBondContact O-N 3.39Å; Q345-L347 VanDerWaalsContact O-N 3.08Å
346D90.6Very high90.1Very high170 Ų17077 Ų7791%0.90938%0.383SS*.  trans-78.188.4172.5-17122.1000109.1
347L89.9Confident89.8Confident66 Ų6678.9 Ų78.935%0.34639%0.393SS..  trans-122.9147.4-177-65.9176.2000110.3Q345Q345-L347 HydrophobicContact CB-CD1 3.96Å; Q345-L347 HydrophobicContact CB-CG 3.83Å; Q345-L347 PolarHBondContact O-N 3.39Å; Q345-L347 VanDerWaalsContact O-N 3.08Å
348P89.1Confident89.7Confident88 Ų8875.5 Ų75.557%0.57138%0.377SS*.  trans-64.9139.8178.927.3-34.3000111.4N350 R353P348-N350 PolarHBondContact O-N 2.91Å; P348-N350 PolarHBondContact O-OD1 2.97Å; P348-R353 PolarHBondContact O-NE 3.3Å
349D89.4Confident89.7Confident118 Ų11875.4 Ų75.463%0.63138%0.377SS*.  trans-81.363.5172.8-171.723.7000110.9K395D349-K395 IonicContact OD1-NZ 2.64Å; D349-K395 PolarHBondContact OD1-NZ 2.86Å
350N92.7Very high89.9Confident29 Ų2970.2 Ų70.216%0.15536%0.358CS..  trans-71.4156.2175.960.4-63.8000111.6D323 P348 E352 R353 K395D323-N350 PolarHBondContact O-ND2 3.14Å; P348-N350 PolarHBondContact O-N 2.91Å; P348-N350 PolarHBondContact O-OD1 2.97Å; N350-E352 WeakPolarHBondContact CB-OE2 3.47Å; N350-E352 PolarHBondContact ND2-OE2 3.38Å; N350-E352 PolarHBondContact O-N 3.44Å; N350-R353 PolarHBondContact O-N 3.01Å; N350-R353 VanDerWaalsContact O-N 3.14Å; N350-R353 WeakPolarHBondContact OD1-CB 3.4Å; N350-R353 PolarHBondContact OD1-NE 3.29Å; N350-R353 PolarHBondContact OD1-NH2 3.2Å; N350-R353 VanDerWaalsContact OD1-NH2 3.08Å; N350-K395 PolarHBondContact O-NZ 2.94Å
351P92.3Very high90.3Very high96 Ų9668.5 Ų68.562%0.62335%0.351SS*.THydrogen-bonded Turntrans-56-33.7-176.8-27.135.9000114.6R353 R394P351-R353 VanDerWaalsContact C-N 3.3Å; P351-R353 PolarHBondContact O-N 2.75Å; P351-R394 WeakPolarHBondContact O-CB 3.32Å; P351-R394 WeakPolarHBondContact O-CG 3.34Å
352E92.5Very high90.7Very high101 Ų10167.7 Ų67.747%0.47235%0.345SS..THydrogen-bonded Turntrans-73.8-21.6-176.6-54.574.9-163.100112.5T324 N350T324-E352 HydrophobicContact CG2-CB 4.49Å; N350-E352 WeakPolarHBondContact CB-OE2 3.47Å; N350-E352 PolarHBondContact ND2-OE2 3.38Å; N350-E352 PolarHBondContact O-N 3.44Å
353R94Very high91.2Very high7 Ų762.4 Ų62.43%0.02633%0.331CS..SBendtrans-80.2129.6-174-166177.3-57.2-70.8-9.6112.6P322 D323 A325 P348 N350 P351 N355 K395P322-R353 PolarHBondContact O-NH1 3.04Å; D323-R353 WeakPolarHBondContact O-CB 3.46Å; D323-R353 PolarHBondContact O-N 2.91Å; A325-R353 WeakPolarHBondContact O-CD 3.48Å; A325-R353 WeakPolarHBondContact O-CG 3.43Å; A325-R353 PolarHBondContact O-NH1 3.44Å; P348-R353 PolarHBondContact O-NE 3.3Å; N350-R353 PolarHBondContact O-N 3.01Å; N350-R353 VanDerWaalsContact O-N 3.14Å; N350-R353 WeakPolarHBondContact OD1-CB 3.4Å; N350-R353 PolarHBondContact OD1-NE 3.29Å; N350-R353 PolarHBondContact OD1-NH2 3.2Å; N350-R353 VanDerWaalsContact OD1-NH2 3.08Å; P351-R353 VanDerWaalsContact C-N 3.3Å; P351-R353 PolarHBondContact O-N 2.75Å; R353-N355 PolarHBondContact O-N 2.74Å; R353-K395 WeakPolarHBondContact O-CE 3.43Å; R353-K395 PolarHBondContact O-NZ 3.03Å
354F91.9Very high91.6Very high12 Ų1258.4 Ų58.45%0.05331%0.314CS..  trans-65.3132.5169.3-73.9-78000111.3T324 Y326 C359 L361 R394 Y473T324-F354 WeakPolarHBondContact O-CD2 3.42Å; T324-F354 PolarHBondContact O-N 2.91Å; Y326-F354 WeakPolarHBondContact CA-O 3.44Å; Y326-F354 WeakPolarHBondContact CD2-O 3.45Å; F354-C359 HydrophobicContact CB-CB 4.29Å; F354-C359 HydrophobicContact CD1-CB 4.08Å; F354-C359 HydrophobicContact CD2-CB 3.59Å; F354-C359 HydrophobicContact CE1-CB 4.22Å; F354-C359 HydrophobicContact CE2-CB 3.74Å; F354-C359 HydrophobicContact CG-CB 3.74Å; F354-C359 HydrophobicContact CZ-CB 4.03Å; F354-L361 HydrophobicContact CE2-CD2 3.87Å; F354-L361 HydrophobicContact CE2-CG 4.02Å; F354-L361 HydrophobicContact CZ-CD2 4.26Å; F354-R394 WeakPolarHBondContact CA-O 3.21Å; F354-R394 HydrophobicContact CD1-CB 4.41Å; F354-R394 VanDerWaalsContact CE2-NH1 3.27Å; F354-Y473 HydrophobicContact CZ-CE2 4.11Å
355N89.8Confident92.1Very high69 Ų6955.1 Ų55.137%0.36930%0.304SS..SBendtrans-112.9-16.1-175.376.6-15.2000115.4Y326 R353 R394 K395 G396Y326-N355 WeakPolarHBondContact CE2-O 3.44Å; R353-N355 PolarHBondContact O-N 2.74Å; N355-R394 PolarHBondContact N-O 3.37Å; N355-K395 HydrophobicContact CB-CD 4.05Å; N355-K395 WeakPolarHBondContact OD1-CA 3.4Å; N355-G396 PolarHBondContact OD1-N 3.28Å
356L87.1Confident92.6Very high74 Ų7451.5 Ų51.539%0.38729%0.287SS..SBendtrans-110.2-55.4-175.8-171.965.6000111.5G396 Y478L356-G396 WeakPolarHBondContact CD2-O 3.41Å; L356-Y478 PolarHBondContact O-OH 3.24Å
357F88.2Confident92.8Very high83 Ų8349.1 Ų49.136%0.36427%0.273SS..SBendtrans-98.5151.6-175.4-61.7-57.1000112.8Y326 C359 Y478Y326-F357 WeakPolarHBondContact CB-O 3.29Å; Y326-F357 WeakPolarHBondContact CD2-O 3.42Å; F357-C359 PolarHBondContact O-N 2.77Å; F357-Y478 WeakPolarHBondContact CA-OH 3.45Å
358P91.6Very high93.1Very high3 Ų348.3 Ų48.32%0.01928%0.276CS..SBendtrans-76.867.2-177.5-2.522.6000110.6Y326 L329 Y340 S475 L476 Y478Y326-P358 HydrophobicContact CD1-CB 4.09Å; L329-P358 HydrophobicContact CD2-CB 3.97Å; L329-P358 HydrophobicContact CG-CB 4.48Å; Y340-P358 HydrophobicContact CD2-CB 4.07Å; Y340-P358 HydrophobicContact CD2-CG 4.42Å; Y340-P358 HydrophobicContact CE2-CB 4.31Å; Y340-P358 HydrophobicContact CE2-CG 4.32Å; P358-S475 WeakPolarHBondContact O-CA 3.26Å; P358-L476 HydrophobicContact CB-CB 4.39Å; P358-L476 WeakPolarHBondContact CB-O 3.15Å; P358-L476 VanDerWaalsContact CG-O 3.23Å; P358-L476 WeakPolarHBondContact CG-O 3.38Å; P358-L476 PolarHBondContact O-N 2.69Å; P358-Y478 HydrophobicContact CG-CD1 3.89Å; P358-Y478 HydrophobicContact CG-CD2 4.23Å; P358-Y478 HydrophobicContact CG-CE1 3.62Å; P358-Y478 HydrophobicContact CG-CE2 3.96Å; P358-Y478 HydrophobicContact CG-CG 4.19Å
359C93.6Very high93.4Very high1 Ų145.1 Ų45.11%0.00726%0.259CS..EExtended strand (participates in β ladder)trans-113152-175.8-55.30000111.5Y326 L329 F354 F357 Y473 F474 S475Y326-C359 PolarHBondContact N-O 2.76Å; L329-C359 WeakPolarHBondContact CD1-O 3.43Å; F354-C359 HydrophobicContact CB-CB 4.29Å; F354-C359 HydrophobicContact CD1-CB 4.08Å; F354-C359 HydrophobicContact CD2-CB 3.59Å; F354-C359 HydrophobicContact CE1-CB 4.22Å; F354-C359 HydrophobicContact CE2-CB 3.74Å; F354-C359 HydrophobicContact CG-CB 3.74Å; F354-C359 HydrophobicContact CZ-CB 4.03Å; F357-C359 PolarHBondContact O-N 2.77Å; C359-Y473 HydrophobicContact CB-CE2 3.99Å; C359-Y473 PolarHBondContact SG-OH 3.18Å; C359-F474 CarbonylContact C-O 3.51Å; C359-F474 VanDerWaalsContact CA-O 3.3Å; C359-F474 WeakPolarHBondContact CA-O 3.4Å; C359-S475 VanDerWaalsContact SG-CB 3.54Å; C359-S475 PolarHBondContact SG-OG 3.28Å
360V95.7Very high93.7Very high0 Ų045 Ų450%025%0.25CC..EExtended strand (participates in β ladder)trans-148.9147.4174.258.50000108.4L320 A325 L329 L331 V338 F474L320-V360 HydrophobicContact CB-CG2 4.37Å; L320-V360 HydrophobicContact CD2-CG1 3.75Å; L320-V360 HydrophobicContact CD2-CG2 4.1Å; A325-V360 HydrophobicContact CB-CB 4.05Å; A325-V360 HydrophobicContact CB-CG2 3.68Å; L329-V360 HydrophobicContact CD1-CB 3.97Å; L329-V360 HydrophobicContact CD1-CG1 4.07Å; L331-V360 HydrophobicContact CD2-CG2 4.37Å; V338-V360 HydrophobicContact CG1-CG1 4.29Å; V338-V360 HydrophobicContact CG2-CG1 4.19Å; V360-F474 HydrophobicContact CG1-CB 4Å; V360-F474 HydrophobicContact CG1-CD2 4.42Å; V360-F474 PolarHBondContact N-O 3.14Å; V360-F474 PolarHBondContact O-N 3.35Å; V360-F474 VanDerWaalsContact O-O 3.11Å
361L97.2Very high93.9Very high0 Ų045.2 Ų45.20%025%0.25CC..EExtended strand (participates in β ladder)trans-100.5159.8175.3-56.1-176.7000112.2D321 T324 F354 C388 R471 P472 Y473D321-L361 PolarHBondContact N-O 3.02Å; T324-L361 HydrophobicContact CG2-CB 4.07Å; T324-L361 HydrophobicContact CG2-CD1 3.89Å; T324-L361 HydrophobicContact CG2-CG 4.09Å; T324-L361 PolarHBondContact OG1-N 2.87Å; F354-L361 HydrophobicContact CE2-CD2 3.87Å; F354-L361 HydrophobicContact CE2-CG 4.02Å; F354-L361 HydrophobicContact CZ-CD2 4.26Å; L361-C388 VanDerWaalsContact CD2-SG 3.51Å; L361-R471 HydrophobicContact CB-CB 4.5Å; L361-R471 HydrophobicContact CD1-CB 4.33Å; L361-P472 CarbonylContact C-O 3.58Å; L361-P472 VanDerWaalsContact CA-O 3.26Å; L361-P472 WeakPolarHBondContact CA-O 3.45Å; L361-Y473 HydrophobicContact CD2-CD2 3.88Å
362G96.5Very high94.1Very high0 Ų040.7 Ų40.70%022%0.22CC..EExtended strand (participates in β ladder)trans-95.4162168.600000113.3T319 R471 P472T319-G362 CarbonylContact O-C 3.43Å; T319-G362 WeakPolarHBondContact O-CA 3.42Å; G362-R471 PolarHBondContact O-NE 2.84Å; G362-R471 PolarHBondContact O-NH2 3.22Å; G362-P472 PolarHBondContact N-O 3.46Å
363S95Very high94.4Very high48 Ų4836.3 Ų36.334%0.33620%0.199SC..EExtended strand (participates in β ladder)trans-118.8144.8169.5-172.30000108.3V318 T319V318-S363 WeakPolarHBondContact CA-O 3.47Å; T319-S363 PolarHBondContact N-O 3.13Å; T319-S363 PolarHBondContact O-N 2.93Å
364P95.2Very high94.5Very high54 Ų5436.9 Ų36.935%0.35120%0.202SC..SBendcis-81.4176.24.734.5-36.3000114.1F366P364-F366 HydrophobicContact CG-CD1 4.48Å; P364-F366 HydrophobicContact CG-CE1 3.73Å; P364-F366 HydrophobicContact CG-CZ 3.95Å
365C95Very high94.7Very high56 Ų5636.3 Ų36.338%0.37820%0.2SC..  trans-84.3144.5164.1-49.50000110P469 V470 R471C365-P469 HydrophobicContact CB-CB 4.22Å; C365-V470 WeakPolarHBondContact CA-O 3.2Å; C365-R471 HydrophobicContact CB-CG 4.1Å; C365-R471 WeakPolarHBondContact SG-CD 3.36Å; C365-R471 VanDerWaalsContact SG-CG 3.57Å; C365-R471 PolarHBondContact SG-NE 3.4Å
366F96.7Very high95Very high7 Ų736.3 Ų36.33%0.03120%0.198CC..BIsolated β-bridgetrans-112.3135.1179-51.2-73000110.5V316 V318 P364 H371 W373 L440 P469 V470 P472V316-F366 HydrophobicContact CG1-CE1 4.49Å; V316-F366 HydrophobicContact CG2-CE1 4.02Å; V316-F366 HydrophobicContact CG2-CZ 3.79Å; V318-F366 HydrophobicContact CG2-CZ 4.49Å; P364-F366 HydrophobicContact CG-CD1 4.48Å; P364-F366 HydrophobicContact CG-CE1 3.73Å; P364-F366 HydrophobicContact CG-CZ 3.95Å; F366-H371 HydrophobicContact CD1-CB 4.09Å; F366-H371 AromaticContact CD1-CD2 3.41Å; F366-H371 VanDerWaalsContact CD1-CD2 3.41Å; F366-H371 WeakPolarHBondContact CD1-CD2 3.27Å; F366-H371 AromaticContact CD1-CE1 3.58Å; F366-H371 AromaticContact CD1-CG 3.34Å; F366-H371 AromaticContact CD1-ND1 3.46Å; F366-H371 WeakPolarHBondContact CD1-ND1 3.45Å; F366-H371 AromaticContact CD1-NE2 3.55Å; F366-H371 HydrophobicContact CE1-CB 3.89Å; F366-H371 AromaticContact CE1-CE1 4Å; F366-H371 AromaticContact CE1-CG 3.49Å; F366-H371 VanDerWaalsContact CE1-CG 3.49Å; F366-H371 AromaticContact CE1-ND1 3.46Å; F366-H371 WeakPolarHBondContact CE1-ND1 3.49Å; F366-H371 AromaticContact CG-CD2 3.77Å; F366-H371 AromaticContact CG-CG 3.99Å; F366-H371 HydrophobicContact CZ-CB 4.18Å; F366-W373 HydrophobicContact CE2-CE3 4.43Å; F366-W373 HydrophobicContact CE2-CH2 4.16Å; F366-W373 AromaticContact CE2-CZ3 3.8Å; F366-W373 HydrophobicContact CE2-CZ3 3.8Å; F366-W373 HydrophobicContact CZ-CZ3 4.24Å; F366-L440 HydrophobicContact CB-CD2 3.79Å; F366-L440 HydrophobicContact CD2-CD2 3.83Å; F366-L440 HydrophobicContact CG-CD2 4Å; F366-P469 WeakPolarHBondContact O-CA 3.44Å; F366-V470 HydrophobicContact CB-CG2 4.03Å; F366-V470 PolarHBondContact N-O 3.13Å; F366-V470 PolarHBondContact O-N 2.77Å; F366-P472 HydrophobicContact CE2-CG 3.93Å
367I96.3Very high95.3Very high119 Ų11932.9 Ų32.961%0.6118%0.18SC*.SBendtrans-126.9-2.9-178.859.4169.4000113.5Y442 P469I367-Y442 WeakPolarHBondContact O-CD1 3.44Å; I367-Y442 WeakPolarHBondContact O-CE1 3.24Å; I367-P469 HydrophobicContact CG2-CB 3.72Å; I367-P469 HydrophobicContact CG2-CG 3.75Å
368A95.6Very high95.2Very high50 Ų5029.8 Ų29.841%0.41317%0.171SC..SBendtrans-172.6162.9-179.600000109.8H371A368-H371 PolarHBondContact O-NE2 3.43Å
369G95.1Very high94.9Very high21 Ų2136.2 Ų36.222%0.21621%0.205CC..SBendtrans80.1-171.7170.600000115.3Y442 D443G369-Y442 WeakPolarHBondContact O-CB 3.05Å; G369-Y442 PolarHBondContact O-N 2.94Å; G369-D443 WeakPolarHBondContact CA-OD2 3.28Å; G369-D443 PolarHBondContact N-OD2 2.81Å
370R96.5Very high94.5Very high115 Ų11536.6 Ų36.643%0.43421%0.207SC..EExtended strand (participates in β ladder)trans-108.6134.4-176.9-69.2167.3-179.1-178.8-1.3110.8Y314 F439 L440 D441Y314-R370 HydrophobicContact CD1-CB 3.61Å; Y314-R370 HydrophobicContact CD2-CB 4.05Å; Y314-R370 HydrophobicContact CE1-CB 3.93Å; Y314-R370 HydrophobicContact CE2-CB 4.33Å; Y314-R370 HydrophobicContact CG-CB 3.66Å; Y314-R370 PolarHBondContact OH-NH1 3.38Å; R370-F439 HydrophobicContact CB-CE2 3.96Å; R370-F439 HydrophobicContact CB-CZ 3.96Å; R370-F439 HydrophobicContact CG-CE2 4.38Å; R370-F439 HydrophobicContact CG-CZ 3.86Å; R370-L440 CarbonylContact C-O 3.5Å; R370-L440 VanDerWaalsContact CA-O 3.24Å; R370-L440 WeakPolarHBondContact CA-O 3.45Å; R370-D441 HydrophobicContact CG-CB 4.11Å; R370-D441 IonicContact CZ-OD2 2.78Å; R370-D441 IonicContact NE-OD2 2.7Å; R370-D441 PolarHBondContact NE-OD2 3.05Å; R370-D441 IonicContact NH2-OD2 3.42Å; R370-D441 PolarHBondContact NH2-OD2 3.32Å
371H96.8Very high94Very high33 Ų3338.3 Ų38.315%0.15322%0.221CC..EExtended strand (participates in β ladder)trans-142.9140.9-175-56.2-76.3000110.7Y314 V316 F366 A368 W373 F439 L440Y314-H371 CarbonylContact O-C 3.46Å; Y314-H371 WeakPolarHBondContact O-CA 3.3Å; V316-H371 HydrophobicContact CG1-CB 4.27Å; V316-H371 WeakPolarHBondContact CG1-ND1 3.45Å; V316-H371 HydrophobicContact CG2-CB 3.95Å; F366-H371 HydrophobicContact CD1-CB 4.09Å; F366-H371 AromaticContact CD1-CD2 3.41Å; F366-H371 VanDerWaalsContact CD1-CD2 3.41Å; F366-H371 WeakPolarHBondContact CD1-CD2 3.27Å; F366-H371 AromaticContact CD1-CE1 3.58Å; F366-H371 AromaticContact CD1-CG 3.34Å; F366-H371 AromaticContact CD1-ND1 3.46Å; F366-H371 WeakPolarHBondContact CD1-ND1 3.45Å; F366-H371 AromaticContact CD1-NE2 3.55Å; F366-H371 HydrophobicContact CE1-CB 3.89Å; F366-H371 AromaticContact CE1-CE1 4Å; F366-H371 AromaticContact CE1-CG 3.49Å; F366-H371 VanDerWaalsContact CE1-CG 3.49Å; F366-H371 AromaticContact CE1-ND1 3.46Å; F366-H371 WeakPolarHBondContact CE1-ND1 3.49Å; F366-H371 AromaticContact CG-CD2 3.77Å; F366-H371 AromaticContact CG-CG 3.99Å; F366-H371 HydrophobicContact CZ-CB 4.18Å; A368-H371 PolarHBondContact O-NE2 3.43Å; H371-W373 HydrophobicContact CB-CZ3 4.22Å; H371-F439 WeakPolarHBondContact O-CA 3.14Å; H371-L440 PolarHBondContact N-O 2.82Å; H371-L440 PolarHBondContact O-N 3.49Å
372Y96.7Very high93.7Very high2 Ų242.7 Ų42.71%0.00824%0.24CC..EExtended strand (participates in β ladder)trans-134.1139.3-179.3179.5-95.5000112L308 A311 Q312 Y314 S315 V316 E374 I438 F439 Y450L308-Y372 HydrophobicContact CD1-CE2 4.18Å; L308-Y372 WeakPolarHBondContact CD1-OH 3.39Å; A311-Y372 HydrophobicContact CB-CD2 3.87Å; A311-Y372 HydrophobicContact CB-CE2 4.21Å; A311-Y372 WeakPolarHBondContact O-CB 3.49Å; Q312-Y372 HydrophobicContact CB-CE1 4.36Å; Q312-Y372 HydrophobicContact CG-CD1 4.06Å; Q312-Y372 HydrophobicContact CG-CE1 3.46Å; Q312-Y372 VanDerWaalsContact CG-CE1 3.46Å; Q312-Y372 HydrophobicContact CG-CE2 4.48Å; Y314-Y372 PolarHBondContact O-N 2.96Å; S315-Y372 CarbonylContact C-O 3.59Å; S315-Y372 WeakPolarHBondContact CA-O 3.29Å; V316-Y372 WeakPolarHBondContact CG2-O 3.36Å; V316-Y372 PolarHBondContact N-O 3.28Å; Y372-E374 HydrophobicContact CE1-CG 3.44Å; Y372-E374 VanDerWaalsContact CE1-CG 3.44Å; Y372-E374 VanDerWaalsContact CE1-OE1 3.3Å; Y372-E374 WeakPolarHBondContact CE1-OE1 3.22Å; Y372-E374 VanDerWaalsContact OH-CD 3.31Å; Y372-E374 VanDerWaalsContact OH-CG 3.24Å; Y372-E374 WeakPolarHBondContact OH-CG 3.09Å; Y372-E374 PolarHBondContact OH-OE1 2.94Å; Y372-I438 VanDerWaalsContact CA-O 3.3Å; Y372-I438 WeakPolarHBondContact CA-O 3.38Å; Y372-I438 WeakPolarHBondContact CD2-O 3.49Å; Y372-F439 HydrophobicContact CD2-CB 4.07Å; Y372-F439 HydrophobicContact CD2-CD2 4.4Å; Y372-Y450 HydrophobicContact CE2-CD2 4.46Å
373W97.1Very high93.6Very high8 Ų842.7 Ų42.73%0.0324%0.24CC..EExtended strand (participates in β ladder)trans-150.9160.6169.86395.2000111.5V316 V318 F366 H371 V387 I438 L440 P472V316-W373 HydrophobicContact CG2-CE3 4.11Å; V318-W373 HydrophobicContact CB-CB 4.28Å; V318-W373 HydrophobicContact CB-CG 4.3Å; V318-W373 HydrophobicContact CG2-CB 3.71Å; V318-W373 HydrophobicContact CG2-CD2 3.88Å; V318-W373 HydrophobicContact CG2-CE3 4.13Å; V318-W373 HydrophobicContact CG2-CG 3.69Å; F366-W373 HydrophobicContact CE2-CE3 4.43Å; F366-W373 HydrophobicContact CE2-CH2 4.16Å; F366-W373 AromaticContact CE2-CZ3 3.8Å; F366-W373 HydrophobicContact CE2-CZ3 3.8Å; F366-W373 HydrophobicContact CZ-CZ3 4.24Å; H371-W373 HydrophobicContact CB-CZ3 4.22Å; W373-V387 HydrophobicContact CH2-CG1 3.45Å; W373-V387 VanDerWaalsContact CH2-CG1 3.45Å; W373-V387 HydrophobicContact CZ2-CG1 3.65Å; W373-I438 HydrophobicContact CD2-CB 4.3Å; W373-I438 HydrophobicContact CH2-CG2 3.89Å; W373-I438 HydrophobicContact CZ2-CB 3.94Å; W373-I438 HydrophobicContact CZ2-CG2 3.51Å; W373-I438 PolarHBondContact N-O 3.17Å; W373-I438 PolarHBondContact O-N 3.3Å; W373-L440 HydrophobicContact CH2-CB 4.37Å; W373-L440 HydrophobicContact CZ3-CB 4.29Å; W373-P472 HydrophobicContact CH2-CG 4.16Å; W373-P472 HydrophobicContact CZ2-CB 3.75Å; W373-P472 HydrophobicContact CZ2-CG 3.81Å
374E96.7Very high93.6Very high19 Ų1941.1 Ų41.19%0.08923%0.228CC..EExtended strand (participates in β ladder)trans-119.6143.5-176.4-61.1-175.4177.400111.8Q312 Y372 R435 V436 V452 C490Q312-E374 PolarHBondContact NE2-OE1 3.31Å; Y372-E374 HydrophobicContact CE1-CG 3.44Å; Y372-E374 VanDerWaalsContact CE1-CG 3.44Å; Y372-E374 VanDerWaalsContact CE1-OE1 3.3Å; Y372-E374 WeakPolarHBondContact CE1-OE1 3.22Å; Y372-E374 VanDerWaalsContact OH-CD 3.31Å; Y372-E374 VanDerWaalsContact OH-CG 3.24Å; Y372-E374 WeakPolarHBondContact OH-CG 3.09Å; Y372-E374 PolarHBondContact OH-OE1 2.94Å; E374-R435 HydrophobicContact CB-CG 4.28Å; E374-R435 VanDerWaalsContact OE2-CD 3.22Å; E374-R435 WeakPolarHBondContact OE2-CD 3.32Å; E374-V436 WeakPolarHBondContact CA-O 3.47Å; E374-V452 HydrophobicContact CG-CG2 4.14Å; E374-C490 HydrophobicContact CB-CB 4.02Å; E374-C490 PolarHBondContact O-N 3.41Å
375V96.3Very high93.6Very high0 Ų038.5 Ų38.50%021%0.212CC..EExtended strand (participates in β ladder)trans-128.7122179.3-171.10000109.2V377 I385 R435 V436 I438 F474 L487 I488V375-V377 HydrophobicContact CG1-CG1 4.33Å; V375-I385 HydrophobicContact CB-CD1 4.27Å; V375-I385 HydrophobicContact CG1-CG2 4.49Å; V375-R435 WeakPolarHBondContact O-CA 3.48Å; V375-V436 PolarHBondContact N-O 3.29Å; V375-V436 PolarHBondContact O-N 2.89Å; V375-I438 HydrophobicContact CB-CD1 4.43Å; V375-I438 HydrophobicContact CG2-CD1 3.64Å; V375-F474 HydrophobicContact CG2-CD1 4.29Å; V375-F474 HydrophobicContact CG2-CE1 3.58Å; V375-L487 HydrophobicContact CG1-CB 4.45Å; V375-I488 CarbonylContact C-O 3.59Å; V375-I488 WeakPolarHBondContact CA-O 3.31Å
376E95.6Very high93.8Very high70 Ų7035.9 Ų35.933%0.32719%0.194SC..EExtended strand (participates in β ladder)trans-80.2119.6168.4-157.6165.7124.800109.3R435 I488E376-R435 IonicContact OE2-CZ 3.9Å; E376-R435 IonicContact OE2-NE 3.97Å; E376-R435 IonicContact OE2-NH2 2.67Å; E376-R435 PolarHBondContact OE2-NH2 2.69Å; E376-I488 HydrophobicContact CB-CB 4.1Å; E376-I488 PolarHBondContact N-O 3.27Å; E376-I488 PolarHBondContact O-N 3.43Å; E376-I488 VanDerWaalsContact O-N 3.08Å
377V93.1Very high93.8Very high1 Ų135.6 Ų35.61%0.00619%0.193CC..  trans-103.7-21.5-177.2-63.10000112.6V375 K380 W383 I385 L433 Q434 V436 L487V375-V377 HydrophobicContact CG1-CG1 4.33Å; V377-K380 WeakPolarHBondContact O-CB 3.22Å; V377-K380 VanDerWaalsContact O-CD 3.24Å; V377-K380 WeakPolarHBondContact O-CD 3.04Å; V377-K380 WeakPolarHBondContact O-CG 3.39Å; V377-W383 HydrophobicContact CB-CD2 4.26Å; V377-W383 HydrophobicContact CB-CG 4.41Å; V377-W383 HydrophobicContact CB-CZ2 4.2Å; V377-W383 HydrophobicContact CG1-CD2 3.96Å; V377-W383 HydrophobicContact CG1-CE3 4.34Å; V377-W383 HydrophobicContact CG1-CG 4.38Å; V377-W383 HydrophobicContact CG1-CZ2 4.11Å; V377-W383 HydrophobicContact CG2-CZ2 3.88Å; V377-I385 HydrophobicContact CG1-CD1 3.9Å; V377-L433 HydrophobicContact CG2-CB 4.36Å; V377-L433 WeakPolarHBondContact CG2-O 3.45Å; V377-Q434 WeakPolarHBondContact CG2-O 3.39Å; V377-Q434 PolarHBondContact N-O 3.5Å; V377-V436 HydrophobicContact CG1-CG2 4.21Å; V377-V436 HydrophobicContact CG2-CG2 4.29Å; V377-L487 HydrophobicContact CB-CD2 4.13Å; V377-L487 HydrophobicContact CG1-CD2 3.96Å
378G87.2Confident93.8Very high18 Ų1829.9 Ų29.919%0.18616%0.163CC..THydrogen-bonded Turntrans55.9-157.6178.500000114.1K380 Q434G378-K380 PolarHBondContact O-N 3.2Å; G378-Q434 PolarHBondContact N-O 3.39Å
379D84.8Confident93.8Very high138 Ų13828.6 Ų28.674%0.73815%0.149SC*.THydrogen-bonded Turntrans-81.835-178.7-61.6-33.7000113.9Q434D379-Q434 PolarHBondContact OD1-NE2 3.26Å
380K84.6Confident93.8Very high10 Ų1030.7 Ų30.74%0.04316%0.155CC..  trans-73.8138.8-178.8-70.9-179.776.866.80111V377 G378 L411 S483 A485 L487V377-K380 WeakPolarHBondContact O-CB 3.22Å; V377-K380 VanDerWaalsContact O-CD 3.24Å; V377-K380 WeakPolarHBondContact O-CD 3.04Å; V377-K380 WeakPolarHBondContact O-CG 3.39Å; G378-K380 PolarHBondContact O-N 3.2Å; K380-L411 WeakPolarHBondContact O-CD2 2.89Å; K380-S483 PolarHBondContact NZ-O 3.41Å; K380-A485 HydrophobicContact CG-CB 4.3Å; K380-A485 PolarHBondContact NZ-O 2.79Å; K380-L487 HydrophobicContact CD-CD2 3.68Å; K380-L487 HydrophobicContact CD-CG 4.3Å
381A86.5Confident93.6Very high35 Ų3529.5 Ų29.529%0.28917%0.165SC..SBendtrans-76.7-24.517900000113.9W412 Y413 G414A381-W412 CarbonylContact O-C 3.57Å; A381-Y413 PolarHBondContact O-N 3.21Å; A381-G414 PolarHBondContact O-N 3.12Å
382K90.7Very high93.4Very high92 Ų9228.4 Ų28.440%0.416%0.16SC..  trans-154.3131.4176.6179.2176.5-178.9174.10113.8L411 S477K382-L411 WeakPolarHBondContact CA-O 3.4Å; K382-L411 WeakPolarHBondContact CG-O 3.5Å; K382-S477 PolarHBondContact O-OG 2.65Å
383W93.2Very high93.1Very high1 Ų131.7 Ų31.70%0.00418%0.182CC..EExtended strand (participates in β ladder)trans-157.5159.6176.350.8-100.5000110V377 I385 V409 S410 L411 Y417 L433 V436 S475 L487V377-W383 HydrophobicContact CB-CD2 4.26Å; V377-W383 HydrophobicContact CB-CG 4.41Å; V377-W383 HydrophobicContact CB-CZ2 4.2Å; V377-W383 HydrophobicContact CG1-CD2 3.96Å; V377-W383 HydrophobicContact CG1-CE3 4.34Å; V377-W383 HydrophobicContact CG1-CG 4.38Å; V377-W383 HydrophobicContact CG1-CZ2 4.11Å; V377-W383 HydrophobicContact CG2-CZ2 3.88Å; W383-I385 HydrophobicContact CE3-CD1 4.13Å; W383-I385 HydrophobicContact CE3-CG1 3.95Å; W383-I385 HydrophobicContact CE3-CG2 4.24Å; W383-I385 HydrophobicContact CH2-CD1 4.37Å; W383-I385 HydrophobicContact CZ3-CD1 3.8Å; W383-I385 HydrophobicContact CZ3-CG1 3.69Å; W383-V409 HydrophobicContact CZ3-CG2 4.12Å; W383-S410 CarbonylContact O-C 3.57Å; W383-S410 VanDerWaalsContact O-CA 3.25Å; W383-S410 WeakPolarHBondContact O-CA 3.3Å; W383-S410 PolarHBondContact O-OG 3.03Å; W383-L411 HydrophobicContact CD2-CB 3.87Å; W383-L411 HydrophobicContact CE3-CB 4.48Å; W383-L411 HydrophobicContact CG-CB 4.26Å; W383-L411 HydrophobicContact CH2-CB 4.28Å; W383-L411 HydrophobicContact CZ2-CB 3.66Å; W383-L411 HydrophobicContact CZ2-CD2 4.29Å; W383-L411 PolarHBondContact N-O 3.47Å; W383-L411 VanDerWaalsContact NE1-CD2 3.32Å; W383-L411 PolarHBondContact O-N 3.15Å; W383-Y417 HydrophobicContact CH2-CE1 4.46Å; W383-Y417 HydrophobicContact CZ2-CD1 4.46Å; W383-Y417 HydrophobicContact CZ2-CE1 4.01Å; W383-L433 HydrophobicContact CH2-CD1 3.83Å; W383-L433 HydrophobicContact CZ2-CB 4.24Å; W383-L433 HydrophobicContact CZ2-CD1 4.14Å; W383-V436 HydrophobicContact CH2-CG2 4.09Å; W383-V436 HydrophobicContact CZ2-CG2 4.49Å; W383-S475 WeakPolarHBondContact CA-O 3.11Å; W383-L487 HydrophobicContact CB-CD2 4.32Å
384T95.1Very high92.8Very high14 Ų1432.3 Ų32.39%0.08619%0.185CC..EExtended strand (participates in β ladder)trans-137.2130.6169.6-520000108.7A408 V409 S410 L420 Y473 S475T384-A408 HydrophobicContact CG2-CB 3.75Å; T384-V409 WeakPolarHBondContact CA-O 3.47Å; T384-S410 WeakPolarHBondContact OG1-CB 3.22Å; T384-S410 PolarHBondContact OG1-OG 3.03Å; T384-L420 HydrophobicContact CG2-CD1 3.53Å; T384-Y473 HydrophobicContact CG2-CE1 4.01Å; T384-S475 PolarHBondContact N-O 3.37Å; T384-S475 PolarHBondContact O-N 2.69Å
385I97.1Very high92.5Very high0 Ų034.5 Ų34.50%019%0.194CC..EExtended strand (participates in β ladder)trans-138.4149.7-179.264.1-174.6000110.4V375 V377 W383 A408 V409 V436 I438 Y473 F474 L487V375-I385 HydrophobicContact CB-CD1 4.27Å; V375-I385 HydrophobicContact CG1-CG2 4.49Å; V377-I385 HydrophobicContact CG1-CD1 3.9Å; W383-I385 HydrophobicContact CE3-CD1 4.13Å; W383-I385 HydrophobicContact CE3-CG1 3.95Å; W383-I385 HydrophobicContact CE3-CG2 4.24Å; W383-I385 HydrophobicContact CH2-CD1 4.37Å; W383-I385 HydrophobicContact CZ3-CD1 3.8Å; W383-I385 HydrophobicContact CZ3-CG1 3.69Å; I385-A408 CarbonylContact O-C 3.55Å; I385-A408 VanDerWaalsContact O-CA 3.29Å; I385-A408 WeakPolarHBondContact O-CA 3.34Å; I385-A408 VanDerWaalsContact O-CB 3.28Å; I385-A408 WeakPolarHBondContact O-CB 3.18Å; I385-V409 HydrophobicContact CG1-CG2 4.1Å; I385-V409 PolarHBondContact N-O 3.32Å; I385-V409 PolarHBondContact O-N 3.46Å; I385-V436 HydrophobicContact CD1-CB 3.54Å; I385-V436 HydrophobicContact CD1-CG1 3.77Å; I385-V436 HydrophobicContact CD1-CG2 3.82Å; I385-I438 HydrophobicContact CD1-CD1 4.35Å; I385-Y473 CarbonylContact C-O 3.52Å; I385-Y473 WeakPolarHBondContact CA-O 3.33Å; I385-F474 HydrophobicContact CB-CD1 4.44Å; I385-F474 HydrophobicContact CG2-CD1 4.02Å; I385-L487 HydrophobicContact CG2-CD1 4.25Å
386G97.4Very high91.8Very high1 Ų136.1 Ų36.11%0.0121%0.211CC..EExtended strand (participates in β ladder)trans164.1-139.3177.200000111.9W407 Y473G386-W407 WeakPolarHBondContact CA-O 3.27Å; G386-Y473 PolarHBondContact N-O 3.26Å; G386-Y473 PolarHBondContact O-N 2.77Å
387V97.5Very high91.1Very high0 Ų035.6 Ų35.60%022%0.224CC..EExtended strand (participates in β ladder)trans-126150.6175.7-58.50000110.6W373 W407 I438 V447 R471W373-V387 HydrophobicContact CH2-CG1 3.45Å; W373-V387 VanDerWaalsContact CH2-CG1 3.45Å; W373-V387 HydrophobicContact CZ2-CG1 3.65Å; V387-W407 HydrophobicContact CG2-CB 3.86Å; V387-W407 HydrophobicContact CG2-CE3 4.06Å; V387-W407 PolarHBondContact N-O 3.11Å; V387-W407 PolarHBondContact O-N 3.34Å; V387-I438 HydrophobicContact CG1-CG2 4.27Å; V387-V447 HydrophobicContact CG1-CG1 4.42Å; V387-V447 HydrophobicContact CG2-CB 4.3Å; V387-V447 HydrophobicContact CG2-CG1 3.79Å; V387-V447 HydrophobicContact CG2-CG2 3.54Å; V387-R471 CarbonylContact C-O 3.38Å; V387-R471 VanDerWaalsContact CA-O 3.31Å; V387-R471 WeakPolarHBondContact CA-O 3.47Å
388C95.9Very high90.5Very high0 Ų037.7 Ų37.70%024%0.237CC..EExtended strand (participates in β ladder)trans-135.8159.6168.874.70000110.9L361 V392 G405 F406 V470 R471 Y473L361-C388 VanDerWaalsContact CD2-SG 3.51Å; C388-V392 HydrophobicContact CB-CG1 4.11Å; C388-V392 HydrophobicContact CB-CG2 4.34Å; C388-G405 CarbonylContact C-O 3.59Å; C388-G405 WeakPolarHBondContact CA-O 3.49Å; C388-G405 WeakPolarHBondContact CB-O 3.42Å; C388-F406 HydrophobicContact CB-CD1 3.45Å; C388-F406 VanDerWaalsContact CB-CD1 3.45Å; C388-F406 HydrophobicContact CB-CE1 3.68Å; C388-F406 HydrophobicContact CB-CG 4.16Å; C388-V470 CarbonylContact O-C 3.58Å; C388-V470 VanDerWaalsContact O-CA 3.3Å; C388-V470 WeakPolarHBondContact O-CA 3.47Å; C388-R471 PolarHBondContact N-O 3.06Å; C388-R471 PolarHBondContact O-N 2.99Å; C388-Y473 HydrophobicContact CB-CD2 4.42Å; C388-Y473 HydrophobicContact CB-CG 4.36Å
389E96Very high90.4Very high23 Ų2341.8 Ų41.811%0.10726%0.258CS..EExtended strand (participates in β ladder)trans-62.1150.4166.9-58.2-171146.600110.3S391 V392 G405 W407 C467 V470E389-S391 PolarHBondContact O-N 2.98Å; E389-S391 PolarHBondContact OE2-OG 2.77Å; E389-V392 HydrophobicContact CB-CG1 3.98Å; E389-V392 WeakPolarHBondContact O-CG1 3.32Å; E389-V392 WeakPolarHBondContact O-CG2 3.44Å; E389-V392 PolarHBondContact O-N 3.5Å; E389-G405 PolarHBondContact N-O 3.26Å; E389-W407 HydrophobicContact CG-CH2 3.92Å; E389-W407 HydrophobicContact CG-CZ3 3.77Å; E389-C467 WeakPolarHBondContact OE1-CB 3.37Å; E389-C467 PolarHBondContact OE1-N 3.44Å; E389-V470 HydrophobicContact CG-CG1 4.48Å
390D94.2Very high90.6Very high64 Ų6436.7 Ų36.734%0.34223%0.233SC..THydrogen-bonded Turntrans-69-26.7175.2-169.846.3000111.8V392 R394 P469 R471D390-V392 VanDerWaalsContact C-N 3.31Å; D390-V392 PolarHBondContact O-N 3.05Å; D390-R394 PolarHBondContact O-NH2 2.77Å; D390-R394 IonicContact OD1-NH2 3.72Å; D390-P469 HydrophobicContact CB-CB 4.23Å; D390-P469 WeakPolarHBondContact CB-O 3.4Å; D390-P469 PolarHBondContact N-O 3.3Å; D390-R471 HydrophobicContact CB-CG 4.22Å; D390-R471 WeakPolarHBondContact OD1-CD 3.15Å; D390-R471 IonicContact OD1-NH1 2.73Å
391S93Very high91Very high91 Ų9136.5 Ų36.564%0.63623%0.233SC*.THydrogen-bonded Turntrans-79.1-0.9178.951.10000115E389E389-S391 PolarHBondContact O-N 2.98Å; E389-S391 PolarHBondContact OE2-OG 2.77Å
392V93.1Very high91.3Very high10 Ų1036.5 Ų36.56%0.06123%0.23CC..SBendtrans-61145.8-177.6-61.80000111.9C388 E389 D390 R394 N404 F406C388-V392 HydrophobicContact CB-CG1 4.11Å; C388-V392 HydrophobicContact CB-CG2 4.34Å; E389-V392 HydrophobicContact CB-CG1 3.98Å; E389-V392 WeakPolarHBondContact O-CG1 3.32Å; E389-V392 WeakPolarHBondContact O-CG2 3.44Å; E389-V392 PolarHBondContact O-N 3.5Å; D390-V392 VanDerWaalsContact C-N 3.31Å; D390-V392 PolarHBondContact O-N 3.05Å; V392-R394 PolarHBondContact O-N 3.37Å; V392-R394 PolarHBondContact O-NE 2.84Å; V392-N404 WeakPolarHBondContact CG1-O 3.31Å; V392-F406 HydrophobicContact CB-CE1 4.4Å; V392-F406 HydrophobicContact CB-CE2 3.89Å; V392-F406 HydrophobicContact CB-CZ 3.64Å; V392-F406 HydrophobicContact CG1-CD2 4.27Å; V392-F406 HydrophobicContact CG1-CE1 4.36Å; V392-F406 HydrophobicContact CG1-CE2 3.79Å; V392-F406 HydrophobicContact CG1-CZ 3.84Å; V392-F406 HydrophobicContact CG2-CE1 4.06Å; V392-F406 HydrophobicContact CG2-CE2 4.4Å; V392-F406 HydrophobicContact CG2-CZ 3.66Å
393C91.2Very high91.3Very high70 Ų7037.8 Ų37.847%0.47324%0.238SC..  trans-62.7120.4179.9-170.30000111.3K395 V398C393-K395 PolarHBondContact SG-O 3.38Å; C393-V398 HydrophobicContact CB-CG2 3.78Å
394R90.7Very high91.3Very high21 Ų2141 Ų418%0.07926%0.255CS..  trans-86.5-13.5179-50.7-61.1174-172.3-6.5113.3P351 F354 N355 D390 V392P351-R394 WeakPolarHBondContact O-CB 3.32Å; P351-R394 WeakPolarHBondContact O-CG 3.34Å; F354-R394 WeakPolarHBondContact CA-O 3.21Å; F354-R394 HydrophobicContact CD1-CB 4.41Å; F354-R394 VanDerWaalsContact CE2-NH1 3.27Å; N355-R394 PolarHBondContact N-O 3.37Å; D390-R394 PolarHBondContact O-NH2 2.77Å; D390-R394 IonicContact OD1-NH2 3.72Å; V392-R394 PolarHBondContact O-N 3.37Å; V392-R394 PolarHBondContact O-NE 2.84Å
395K88.5Confident91.3Very high66 Ų6640.5 Ų40.529%0.28725%0.253SS..SBendtrans-114.5126.7-170.8-51.2-59.5179.8-175.50111.1D349 N350 R353 N355 C393D349-K395 IonicContact OD1-NZ 2.64Å; D349-K395 PolarHBondContact OD1-NZ 2.86Å; N350-K395 PolarHBondContact O-NZ 2.94Å; R353-K395 WeakPolarHBondContact O-CE 3.43Å; R353-K395 PolarHBondContact O-NZ 3.03Å; N355-K395 HydrophobicContact CB-CD 4.05Å; N355-K395 WeakPolarHBondContact OD1-CA 3.4Å; C393-K395 PolarHBondContact SG-O 3.38Å
396G82.8Confident91.2Very high34 Ų3440.7 Ų40.735%0.35125%0.254SS..SBendtrans85.1-163.3177.700000114.9N355 L356N355-G396 PolarHBondContact OD1-N 3.28Å; L356-G396 WeakPolarHBondContact CD2-O 3.41Å
397G79.9Confident91.2Very high58 Ų5841.2 Ų41.260%0.59826%0.255SS*.  trans-101.467.8-16600000114.6
398V80.8Confident91.2Very high46 Ų4641.2 Ų41.228%0.27926%0.255SS..  trans-84.4131.9175179.80000110.6C393 S400 N404 F406C393-V398 HydrophobicContact CB-CG2 3.78Å; V398-S400 PolarHBondContact O-N 2.91Å; V398-N404 HydrophobicContact CG1-CB 3.75Å; V398-F406 HydrophobicContact CG1-CE2 4.44Å
399T86.6Confident91.2Very high103 Ų10341.4 Ų41.463%0.63226%0.256SS*.  trans-67126.3175-53.20000110.2A401 N404T399-A401 HydrophobicContact CG2-CB 4.5Å; T399-A401 PolarHBondContact O-N 3.32Å; T399-N404 PolarHBondContact O-ND2 2.82Å
400S89Confident91.2Very high31 Ų3140.4 Ų40.422%0.21725%0.252CS..  trans-67.6100.1170.9-59.10000109.8V398 Y473V398-S400 PolarHBondContact O-N 2.91Å; S400-Y473 PolarHBondContact OG-OH 2.94Å
401A92Very high91.2Very high6 Ų637.5 Ų37.55%0.0524%0.236CC..SBendtrans-152.7158.4176.700000110.4T399 Q403 N404 G405 F406T399-A401 HydrophobicContact CG2-CB 4.5Å; T399-A401 PolarHBondContact O-N 3.32Å; A401-Q403 PolarHBondContact O-N 3.03Å; A401-Q403 VanDerWaalsContact O-N 3.15Å; A401-N404 CarbonylContact O-C 3.57Å; A401-N404 WeakPolarHBondContact O-CA 3.48Å; A401-N404 PolarHBondContact O-N 2.81Å; A401-G405 PolarHBondContact O-N 2.8Å; A401-F406 CarbonylContact C-O 3.07Å; A401-F406 PolarHBondContact O-N 2.94Å
402P92.6Very high91.1Very high35 Ų3536.3 Ų36.323%0.22722%0.218CC..G310 helixtrans-54.4-35.2-179.3-32.633.1000114.6N404 G405 F406 L420 F461P402-N404 PolarHBondContact O-N 3.34Å; P402-G405 PolarHBondContact O-N 3.25Å; P402-F406 VanDerWaalsContact CA-O 3.23Å; P402-F406 WeakPolarHBondContact CA-O 3.44Å; P402-F406 VanDerWaalsContact CD-O 3.3Å; P402-F406 WeakPolarHBondContact CD-O 3.46Å; P402-L420 WeakPolarHBondContact CD-O 3.33Å; P402-F461 HydrophobicContact CG-CD1 4.18Å; P402-F461 HydrophobicContact CG-CE1 4.04Å
403Q91.7Very high90.9Very high119 Ų11944.3 Ų44.356%0.55625%0.248SC*.G310 helixtrans-64.3-22.7179-41.781.26500112.7A401 S422A401-Q403 PolarHBondContact O-N 3.03Å; A401-Q403 VanDerWaalsContact O-N 3.15Å; Q403-S422 VanDerWaalsContact CD-CB 3.45Å; Q403-S422 PolarHBondContact OE1-OG 3.36Å
404N92.7Very high90.7Very high69 Ų6942.8 Ų42.837%0.36924%0.244SC..G310 helixtrans-104.214.5178.4-62-32.3000111.7V392 V398 T399 A401 P402 F406V392-N404 WeakPolarHBondContact CG1-O 3.31Å; V398-N404 HydrophobicContact CG1-CB 3.75Å; T399-N404 PolarHBondContact O-ND2 2.82Å; A401-N404 CarbonylContact O-C 3.57Å; A401-N404 WeakPolarHBondContact O-CA 3.48Å; A401-N404 PolarHBondContact O-N 2.81Å; P402-N404 PolarHBondContact O-N 3.34Å; N404-F406 HydrophobicContact CB-CD2 4.04Å; N404-F406 HydrophobicContact CB-CE2 4.27Å; N404-F406 WeakPolarHBondContact O-CD2 3.32Å; N404-F406 VanDerWaalsContact O-CE2 3.3Å; N404-F406 WeakPolarHBondContact O-CE2 3.26Å
405G94Very high90.6Very high3 Ų349.3 Ų49.33%0.03127%0.273CS..THydrogen-bonded Turntrans79.728.2177.900000114.9C388 E389 A401 P402 W407C388-G405 CarbonylContact C-O 3.59Å; C388-G405 WeakPolarHBondContact CA-O 3.49Å; C388-G405 WeakPolarHBondContact CB-O 3.42Å; E389-G405 PolarHBondContact N-O 3.26Å; A401-G405 PolarHBondContact O-N 2.8Å; P402-G405 PolarHBondContact O-N 3.25Å; G405-W407 WeakPolarHBondContact O-CZ3 3.48Å
406F95.2Very high90.8Very high5 Ų549.6 Ų49.62%0.02228%0.276CS..EExtended strand (participates in β ladder)trans-121.2128.9176.8-62.5-93.3000112.3C388 V392 V398 A401 P402 N404 Y473C388-F406 HydrophobicContact CB-CD1 3.45Å; C388-F406 VanDerWaalsContact CB-CD1 3.45Å; C388-F406 HydrophobicContact CB-CE1 3.68Å; C388-F406 HydrophobicContact CB-CG 4.16Å; V392-F406 HydrophobicContact CB-CE1 4.4Å; V392-F406 HydrophobicContact CB-CE2 3.89Å; V392-F406 HydrophobicContact CB-CZ 3.64Å; V392-F406 HydrophobicContact CG1-CD2 4.27Å; V392-F406 HydrophobicContact CG1-CE1 4.36Å; V392-F406 HydrophobicContact CG1-CE2 3.79Å; V392-F406 HydrophobicContact CG1-CZ 3.84Å; V392-F406 HydrophobicContact CG2-CE1 4.06Å; V392-F406 HydrophobicContact CG2-CE2 4.4Å; V392-F406 HydrophobicContact CG2-CZ 3.66Å; V398-F406 HydrophobicContact CG1-CE2 4.44Å; A401-F406 CarbonylContact C-O 3.07Å; A401-F406 PolarHBondContact O-N 2.94Å; P402-F406 VanDerWaalsContact CA-O 3.23Å; P402-F406 WeakPolarHBondContact CA-O 3.44Å; P402-F406 VanDerWaalsContact CD-O 3.3Å; P402-F406 WeakPolarHBondContact CD-O 3.46Å; N404-F406 HydrophobicContact CB-CD2 4.04Å; N404-F406 HydrophobicContact CB-CE2 4.27Å; N404-F406 WeakPolarHBondContact O-CD2 3.32Å; N404-F406 VanDerWaalsContact O-CE2 3.3Å; N404-F406 WeakPolarHBondContact O-CE2 3.26Å; F406-Y473 HydrophobicContact CD1-CD1 4.3Å; F406-Y473 HydrophobicContact CD1-CD2 4.25Å; F406-Y473 HydrophobicContact CD1-CE1 4.17Å; F406-Y473 HydrophobicContact CD1-CE2 4.13Å; F406-Y473 HydrophobicContact CD1-CG 4.32Å; F406-Y473 AromaticContact CE1-CD2 3.97Å; F406-Y473 HydrophobicContact CE1-CD2 3.97Å; F406-Y473 HydrophobicContact CE1-CE1 4.46Å; F406-Y473 AromaticContact CE1-CE2 3.66Å; F406-Y473 HydrophobicContact CE1-CE2 3.66Å; F406-Y473 AromaticContact CE1-CZ 3.91Å
407W97.4Very high91.5Very high12 Ų1248.8 Ų48.85%0.04526%0.262CS..EExtended strand (participates in β ladder)trans-125.397.1172.6-59-94.3000108.6G386 V387 E389 G405 V447 F461 A464 F466G386-W407 WeakPolarHBondContact CA-O 3.27Å; V387-W407 HydrophobicContact CG2-CB 3.86Å; V387-W407 HydrophobicContact CG2-CE3 4.06Å; V387-W407 PolarHBondContact N-O 3.11Å; V387-W407 PolarHBondContact O-N 3.34Å; E389-W407 HydrophobicContact CG-CH2 3.92Å; E389-W407 HydrophobicContact CG-CZ3 3.77Å; G405-W407 WeakPolarHBondContact O-CZ3 3.48Å; W407-V447 HydrophobicContact CB-CB 4.19Å; W407-V447 HydrophobicContact CB-CG1 4.39Å; W407-V447 HydrophobicContact CB-CG2 3.91Å; W407-V447 HydrophobicContact CG-CG2 4.19Å; W407-F461 HydrophobicContact CB-CD1 4.49Å; W407-F461 HydrophobicContact CB-CD2 4.13Å; W407-F461 HydrophobicContact CB-CE2 4.42Å; W407-F461 HydrophobicContact CB-CG 4.16Å; W407-F461 AromaticContact CD1-CD1 3.75Å; W407-F461 AromaticContact CD1-CG 3.79Å; W407-F461 HydrophobicContact CG-CG 4.4Å; W407-A464 HydrophobicContact CD2-CB 4.33Å; W407-A464 HydrophobicContact CZ2-CB 3.92Å; W407-A464 VanDerWaalsContact NE1-CB 3.31Å; W407-F466 HydrophobicContact CD2-CE1 4.04Å; W407-F466 HydrophobicContact CE3-CD1 4.27Å; W407-F466 AromaticContact CE3-CE1 3.86Å; W407-F466 HydrophobicContact CE3-CE1 3.86Å; W407-F466 AromaticContact CH2-CD1 3.52Å; W407-F466 HydrophobicContact CH2-CD1 3.52Å; W407-F466 AromaticContact CH2-CE1 3.87Å; W407-F466 HydrophobicContact CH2-CE1 3.87Å; W407-F466 AromaticContact CZ2-CD1 3.98Å; W407-F466 HydrophobicContact CZ2-CD1 3.98Å; W407-F466 HydrophobicContact CZ2-CE1 4.04Å; W407-F466 AromaticContact CZ3-CD1 3.68Å; W407-F466 HydrophobicContact CZ3-CD1 3.68Å; W407-F466 AromaticContact CZ3-CE1 3.77Å; W407-F466 HydrophobicContact CZ3-CE1 3.77Å
408A97.3Very high92.3Very high0 Ų048.9 Ų48.90%025%0.245CC..EExtended strand (participates in β ladder)trans-145.5157.1-16900000112.7T384 I385 L420 F461 Y473T384-A408 HydrophobicContact CG2-CB 3.75Å; I385-A408 CarbonylContact O-C 3.55Å; I385-A408 VanDerWaalsContact O-CA 3.29Å; I385-A408 WeakPolarHBondContact O-CA 3.34Å; I385-A408 VanDerWaalsContact O-CB 3.28Å; I385-A408 WeakPolarHBondContact O-CB 3.18Å; A408-L420 HydrophobicContact CB-CD1 4.17Å; A408-L420 WeakPolarHBondContact O-CB 3.47Å; A408-L420 WeakPolarHBondContact O-CG 3.31Å; A408-L420 PolarHBondContact O-N 3.41Å; A408-F461 WeakPolarHBondContact O-CZ 3.38Å; A408-Y473 HydrophobicContact CB-CD1 4.29Å
409V97Very high93.1Very high4 Ų446.7 Ų46.72%0.02423%0.231CC..EExtended strand (participates in β ladder)trans-113147.7171.4-63.60000109.7W383 T384 I385 W418 L427 F449W383-V409 HydrophobicContact CZ3-CG2 4.12Å; T384-V409 WeakPolarHBondContact CA-O 3.47Å; I385-V409 HydrophobicContact CG1-CG2 4.1Å; I385-V409 PolarHBondContact N-O 3.32Å; I385-V409 PolarHBondContact O-N 3.46Å; V409-W418 CarbonylContact C-O 3.57Å; V409-W418 VanDerWaalsContact CA-O 3.28Å; V409-W418 WeakPolarHBondContact CA-O 3.41Å; V409-L427 HydrophobicContact CG1-CD1 4.1Å; V409-F449 HydrophobicContact CB-CD1 4.29Å; V409-F449 HydrophobicContact CB-CE1 4.39Å; V409-F449 HydrophobicContact CB-CG 4.49Å; V409-F449 HydrophobicContact CG1-CB 4.3Å; V409-F449 HydrophobicContact CG1-CD1 3.94Å; V409-F449 HydrophobicContact CG1-CD2 3.69Å; V409-F449 HydrophobicContact CG1-CE1 4.17Å; V409-F449 HydrophobicContact CG1-CE2 3.96Å; V409-F449 HydrophobicContact CG1-CG 3.69Å; V409-F449 HydrophobicContact CG1-CZ 4.18Å; V409-F449 HydrophobicContact CG2-CD1 3.37Å; V409-F449 HydrophobicContact CG2-CE1 3.59Å; V409-F449 HydrophobicContact CG2-CG 3.94Å; V409-F449 HydrophobicContact CG2-CZ 4.34Å
410S95.3Very high93.5Very high1 Ų142.1 Ų42.11%0.00720%0.203CC..EExtended strand (participates in β ladder)trans-137142-171.9-162.20000111.2W383 T384 W412 Y417 W418W383-S410 CarbonylContact O-C 3.57Å; W383-S410 VanDerWaalsContact O-CA 3.25Å; W383-S410 WeakPolarHBondContact O-CA 3.3Å; W383-S410 PolarHBondContact O-OG 3.03Å; T384-S410 WeakPolarHBondContact OG1-CB 3.22Å; T384-S410 PolarHBondContact OG1-OG 3.03Å; S410-W412 PolarHBondContact OG-NE1 3.29Å; S410-Y417 CarbonylContact O-C 3.07Å; S410-Y417 WeakPolarHBondContact O-CA 3.49Å; S410-W418 PolarHBondContact N-O 2.99Å; S410-W418 PolarHBondContact O-N 3.04Å
411L94.2Very high93.8Very high4 Ų442 Ų422%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-105.6127.5168.5174.457.8000109K380 K382 W383 E416 Y417K380-L411 WeakPolarHBondContact O-CD2 2.89Å; K382-L411 WeakPolarHBondContact CA-O 3.4Å; K382-L411 WeakPolarHBondContact CG-O 3.5Å; W383-L411 HydrophobicContact CD2-CB 3.87Å; W383-L411 HydrophobicContact CE3-CB 4.48Å; W383-L411 HydrophobicContact CG-CB 4.26Å; W383-L411 HydrophobicContact CH2-CB 4.28Å; W383-L411 HydrophobicContact CZ2-CB 3.66Å; W383-L411 HydrophobicContact CZ2-CD2 4.29Å; W383-L411 PolarHBondContact N-O 3.47Å; W383-L411 VanDerWaalsContact NE1-CD2 3.32Å; W383-L411 PolarHBondContact O-N 3.15Å; L411-E416 CarbonylContact C-O 3.57Å; L411-E416 WeakPolarHBondContact CA-O 3.28Å; L411-E416 WeakPolarHBondContact CD1-O 3.48Å; L411-Y417 HydrophobicContact CB-CD1 4.21Å; L411-Y417 HydrophobicContact CB-CE1 4.09Å; L411-Y417 HydrophobicContact CD1-CD1 3.89Å; L411-Y417 HydrophobicContact CD1-CD2 4.17Å; L411-Y417 HydrophobicContact CD1-CE1 3.61Å; L411-Y417 HydrophobicContact CD1-CE2 3.9Å; L411-Y417 HydrophobicContact CD1-CG 4.16Å; L411-Y417 HydrophobicContact CD2-CE1 4.11Å; L411-Y417 HydrophobicContact CG-CE1 4.14Å
412W90.9Very high93.8Very high66 Ų6645.6 Ų45.625%0.2523%0.225CC..EExtended strand (participates in β ladder)trans-119.3145.8176.7-65.814.6000110.1A381 S410 G414 K415 E416 M424A381-W412 CarbonylContact O-C 3.57Å; S410-W412 PolarHBondContact OG-NE1 3.29Å; W412-G414 PolarHBondContact O-N 2.63Å; W412-K415 PolarHBondContact O-N 3.4Å; W412-K415 VanDerWaalsContact O-N 3.13Å; W412-E416 HydrophobicContact CB-CB 4.35Å; W412-E416 PolarHBondContact N-O 3.26Å; W412-E416 PolarHBondContact O-N 2.66Å; W412-M424 HydrophobicContact CH2-CE 3.74Å; W412-M424 HydrophobicContact CH2-SD 4.08Å; W412-M424 HydrophobicContact CZ2-CE 4.41Å; W412-M424 HydrophobicContact CZ2-SD 4.17Å; W412-M424 HydrophobicContact CZ3-CE 4.28Å
413Y88.1Confident93.8Very high177 Ų17749.5 Ų49.569%0.69425%0.251SS*.THydrogen-bonded Turntrans50.524.9176.9-48-71.7000115A381 K415 E416A381-Y413 PolarHBondContact O-N 3.21Å; Y413-K415 PolarHBondContact O-N 3.24Å; Y413-E416 WeakPolarHBondContact CD2-OE2 3.37Å
414G87.4Confident94Very high38 Ų3847.8 Ų47.839%0.39224%0.244SC..THydrogen-bonded Turntrans70.33.318000000116.2A381 W412A381-G414 PolarHBondContact O-N 3.12Å; W412-G414 PolarHBondContact O-N 2.63Å
415K89.7Confident94.2Very high158 Ų15847.4 Ų47.469%0.68724%0.244SC*.THydrogen-bonded Turntrans-148.1-14.4-175.466.7-176.2179.5174.70115.7W412 Y413W412-K415 PolarHBondContact O-N 3.4Å; W412-K415 VanDerWaalsContact O-N 3.13Å; Y413-K415 PolarHBondContact O-N 3.24Å
416E93.1Very high94.3Very high72 Ų7250.1 Ų50.134%0.33627%0.266SS..EExtended strand (participates in β ladder)trans-101.7113-176.7-59.8178-173.400109.9L411 W412 Y413L411-E416 CarbonylContact C-O 3.57Å; L411-E416 WeakPolarHBondContact CA-O 3.28Å; L411-E416 WeakPolarHBondContact CD1-O 3.48Å; W412-E416 HydrophobicContact CB-CB 4.35Å; W412-E416 PolarHBondContact N-O 3.26Å; W412-E416 PolarHBondContact O-N 2.66Å; Y413-E416 WeakPolarHBondContact CD2-OE2 3.37Å
417Y96.1Very high94.3Very high18 Ų1850.7 Ų50.77%0.07127%0.27CS..EExtended strand (participates in β ladder)trans-98.4134.6178.6-63.4-89000110.4W383 S410 L411 L427 L429 P432 L433W383-Y417 HydrophobicContact CH2-CE1 4.46Å; W383-Y417 HydrophobicContact CZ2-CD1 4.46Å; W383-Y417 HydrophobicContact CZ2-CE1 4.01Å; S410-Y417 CarbonylContact O-C 3.07Å; S410-Y417 WeakPolarHBondContact O-CA 3.49Å; L411-Y417 HydrophobicContact CB-CD1 4.21Å; L411-Y417 HydrophobicContact CB-CE1 4.09Å; L411-Y417 HydrophobicContact CD1-CD1 3.89Å; L411-Y417 HydrophobicContact CD1-CD2 4.17Å; L411-Y417 HydrophobicContact CD1-CE1 3.61Å; L411-Y417 HydrophobicContact CD1-CE2 3.9Å; L411-Y417 HydrophobicContact CD1-CG 4.16Å; L411-Y417 HydrophobicContact CD2-CE1 4.11Å; L411-Y417 HydrophobicContact CG-CE1 4.14Å; Y417-L427 PolarHBondContact O-N 3.4Å; Y417-L429 HydrophobicContact CD1-CD1 3.67Å; Y417-L429 HydrophobicContact CD2-CB 4.03Å; Y417-L429 HydrophobicContact CD2-CD1 3.78Å; Y417-L429 HydrophobicContact CD2-CG 4.04Å; Y417-L429 HydrophobicContact CE1-CD1 4.06Å; Y417-L429 HydrophobicContact CE2-CB 4.31Å; Y417-L429 HydrophobicContact CE2-CD1 4.18Å; Y417-L429 HydrophobicContact CG-CD1 3.5Å; Y417-L429 HydrophobicContact CG-CG 4.06Å; Y417-P432 VanDerWaalsContact OH-CA 3.29Å; Y417-P432 WeakPolarHBondContact OH-CA 3.48Å; Y417-L433 HydrophobicContact CD1-CD1 3.71Å; Y417-L433 HydrophobicContact CD1-CG 4.19Å; Y417-L433 HydrophobicContact CE1-CB 3.9Å; Y417-L433 HydrophobicContact CE1-CD1 3.58Å; Y417-L433 HydrophobicContact CE1-CG 3.64Å; Y417-L433 PolarHBondContact OH-N 3.16Å
418W97.1Very high93.9Very high60 Ų6056.1 Ų56.123%0.22731%0.306CS..EExtended strand (participates in β ladder)trans-134.2131-174.4-64.497.3000110.7V409 S410 L420 M424 T425 A426V409-W418 CarbonylContact C-O 3.57Å; V409-W418 VanDerWaalsContact CA-O 3.28Å; V409-W418 WeakPolarHBondContact CA-O 3.41Å; S410-W418 PolarHBondContact N-O 2.99Å; S410-W418 PolarHBondContact O-N 3.04Å; W418-L420 HydrophobicContact CB-CD2 4.47Å; W418-M424 HydrophobicContact CE3-CB 3.98Å; W418-M424 HydrophobicContact CZ3-CB 4.49Å; W418-T425 WeakPolarHBondContact CA-O 3.44Å; W418-A426 HydrophobicContact CE3-CB 4.01Å; W418-A426 HydrophobicContact CH2-CB 3.89Å; W418-A426 HydrophobicContact CZ3-CB 3.57Å
419A97Very high93.4Very high0 Ų058.6 Ų58.60%032%0.319CS..EExtended strand (participates in β ladder)trans-83.4128158.800000107.8T421 M424 T425 L427 F459 F461A419-T421 PolarHBondContact O-N 2.89Å; A419-T421 PolarHBondContact O-OG1 3.24Å; A419-M424 WeakPolarHBondContact O-CA 3.44Å; A419-T425 PolarHBondContact N-O 3.47Å; A419-T425 PolarHBondContact O-N 3.34Å; A419-L427 HydrophobicContact CB-CD1 4.08Å; A419-L427 HydrophobicContact CB-CD2 4.1Å; A419-L427 HydrophobicContact CB-CG 4.23Å; A419-F459 HydrophobicContact CB-CD1 3.62Å; A419-F459 HydrophobicContact CB-CD2 4.07Å; A419-F459 HydrophobicContact CB-CE1 3.55Å; A419-F459 HydrophobicContact CB-CE2 4.01Å; A419-F459 HydrophobicContact CB-CG 3.88Å; A419-F459 HydrophobicContact CB-CZ 3.76Å; A419-F461 HydrophobicContact CB-CZ 4.1Å
420L96Very high92.7Very high7 Ų770 Ų704%0.03736%0.362CS..  trans-77.842.2-176.7-58-168.4000112.8T384 P402 A408 W418 M424T384-L420 HydrophobicContact CG2-CD1 3.53Å; P402-L420 WeakPolarHBondContact CD-O 3.33Å; A408-L420 HydrophobicContact CB-CD1 4.17Å; A408-L420 WeakPolarHBondContact O-CB 3.47Å; A408-L420 WeakPolarHBondContact O-CG 3.31Å; A408-L420 PolarHBondContact O-N 3.41Å; W418-L420 HydrophobicContact CB-CD2 4.47Å; L420-M424 HydrophobicContact CD2-CG 4.42Å; L420-M424 HydrophobicContact CD2-SD 3.81Å
421T95Very high92.3Very high29 Ų2972.2 Ų72.218%0.17838%0.375CS..  trans-63.8172.6167.548.90000110.9A419 P423 M424 T425 F459 F461A419-T421 PolarHBondContact O-N 2.89Å; A419-T421 PolarHBondContact O-OG1 3.24Å; T421-P423 CarbonylContact C-O 3.54Å; T421-P423 VanDerWaalsContact CB-O 3.24Å; T421-P423 WeakPolarHBondContact CB-O 3.31Å; T421-P423 CarbonylContact O-C 3.51Å; T421-P423 PolarHBondContact OG1-O 2.85Å; T421-M424 VanDerWaalsContact O-CA 3.27Å; T421-M424 WeakPolarHBondContact O-CA 3.46Å; T421-M424 PolarHBondContact O-N 3.32Å; T421-M424 WeakPolarHBondContact OG1-CA 3.45Å; T421-T425 PolarHBondContact OG1-N 2.94Å; T421-T425 PolarHBondContact OG1-OG1 3.36Å; T421-F459 HydrophobicContact CG2-CE1 4.17Å; T421-F459 HydrophobicContact CG2-CZ 3.84Å; T421-F461 HydrophobicContact CG2-CD1 3.94Å; T421-F461 HydrophobicContact CG2-CE1 3.47Å; T421-F461 VanDerWaalsContact CG2-CE1 3.47Å; T421-F461 HydrophobicContact CG2-CZ 4.31Å
422S92.1Very high92.1Very high80 Ų8076 Ų7656%0.55940%0.4SS*.SBendtrans-123.2106.5172-168.90000110.1Q403Q403-S422 VanDerWaalsContact CD-CB 3.45Å; Q403-S422 PolarHBondContact OE1-OG 3.36Å
423P93.4Very high92.2Very high117 Ų11773 Ų7376%0.7639%0.389SS*.SBendcis-67.6162.8-3.931.3-36.1000113T421T421-P423 CarbonylContact C-O 3.54Å; T421-P423 VanDerWaalsContact CB-O 3.24Å; T421-P423 WeakPolarHBondContact CB-O 3.31Å; T421-P423 CarbonylContact O-C 3.51Å; T421-P423 PolarHBondContact OG1-O 2.85Å
424M95.6Very high92.4Very high84 Ų8467.6 Ų67.641%0.41437%0.37SS..PPolyproline II helixtrans-64.2140.1179.3-64.4-174.3-63.200111.4W412 W418 A419 L420 T421W412-M424 HydrophobicContact CH2-CE 3.74Å; W412-M424 HydrophobicContact CH2-SD 4.08Å; W412-M424 HydrophobicContact CZ2-CE 4.41Å; W412-M424 HydrophobicContact CZ2-SD 4.17Å; W412-M424 HydrophobicContact CZ3-CE 4.28Å; W418-M424 HydrophobicContact CE3-CB 3.98Å; W418-M424 HydrophobicContact CZ3-CB 4.49Å; A419-M424 WeakPolarHBondContact O-CA 3.44Å; L420-M424 HydrophobicContact CD2-CG 4.42Å; L420-M424 HydrophobicContact CD2-SD 3.81Å; T421-M424 VanDerWaalsContact O-CA 3.27Å; T421-M424 WeakPolarHBondContact O-CA 3.46Å; T421-M424 PolarHBondContact O-N 3.32Å; T421-M424 WeakPolarHBondContact OG1-CA 3.45Å
425T96.4Very high92.7Very high61 Ų6169.7 Ų69.737%0.37437%0.366SS..EExtended strand (participates in β ladder)trans-102122.8179.1-64.70000109.6W418 A419 T421 L427 F459W418-T425 WeakPolarHBondContact CA-O 3.44Å; A419-T425 PolarHBondContact N-O 3.47Å; A419-T425 PolarHBondContact O-N 3.34Å; T421-T425 PolarHBondContact OG1-N 2.94Å; T421-T425 PolarHBondContact OG1-OG1 3.36Å; T425-L427 HydrophobicContact CG2-CD2 4.49Å; T425-F459 HydrophobicContact CG2-CE2 4.34Å
426A96.8Very high93Very high60 Ų6062.2 Ų62.250%0.49633%0.334SS..EExtended strand (participates in β ladder)trans-68.9132.4172.500000110.1W418 P428W418-A426 HydrophobicContact CE3-CB 4.01Å; W418-A426 HydrophobicContact CH2-CB 3.89Å; W418-A426 HydrophobicContact CZ3-CB 3.57Å; A426-P428 WeakPolarHBondContact O-CD 3.41Å
427L94.3Very high93.2Very high17 Ų1758.8 Ų58.89%0.08932%0.318CS..EExtended strand (participates in β ladder)trans-104.7107.6-179.9-59.6177.5000109.6V409 Y417 A419 T425 L429 T458 F459V409-L427 HydrophobicContact CG1-CD1 4.1Å; Y417-L427 PolarHBondContact O-N 3.4Å; A419-L427 HydrophobicContact CB-CD1 4.08Å; A419-L427 HydrophobicContact CB-CD2 4.1Å; A419-L427 HydrophobicContact CB-CG 4.23Å; T425-L427 HydrophobicContact CG2-CD2 4.49Å; L427-L429 HydrophobicContact CB-CD2 4.42Å; L427-L429 HydrophobicContact CB-CG 4.39Å; L427-L429 PolarHBondContact O-N 2.94Å; L427-T458 HydrophobicContact CD1-CG2 4.24Å; L427-F459 HydrophobicContact CD1-CB 4.19Å; L427-F459 HydrophobicContact CD2-CB 3.96Å; L427-F459 HydrophobicContact CD2-CD2 3.52Å; L427-F459 HydrophobicContact CD2-CE2 4.3Å; L427-F459 HydrophobicContact CD2-CG 3.94Å
428P88.8Confident93.2Very high126 Ų12657.9 Ų57.982%0.81831%0.314SS*.  trans-78.484.1-178.431.8-34.4000110.8A426A426-P428 WeakPolarHBondContact O-CD 3.41Å
429L88.1Confident93.2Very high51 Ų5156 Ų5627%0.26731%0.308SS..  trans-88.4133.5177.4-53.6-172.4000111.2Y417 L427 L433 T458Y417-L429 HydrophobicContact CD1-CD1 3.67Å; Y417-L429 HydrophobicContact CD2-CB 4.03Å; Y417-L429 HydrophobicContact CD2-CD1 3.78Å; Y417-L429 HydrophobicContact CD2-CG 4.04Å; Y417-L429 HydrophobicContact CE1-CD1 4.06Å; Y417-L429 HydrophobicContact CE2-CB 4.31Å; Y417-L429 HydrophobicContact CE2-CD1 4.18Å; Y417-L429 HydrophobicContact CG-CD1 3.5Å; Y417-L429 HydrophobicContact CG-CG 4.06Å; L427-L429 HydrophobicContact CB-CD2 4.42Å; L427-L429 HydrophobicContact CB-CG 4.39Å; L427-L429 PolarHBondContact O-N 2.94Å; L429-L433 HydrophobicContact CD1-CD1 3.62Å; L429-L433 HydrophobicContact CD1-CD2 3.89Å; L429-L433 HydrophobicContact CD1-CG 3.6Å; L429-T458 HydrophobicContact CD1-CG2 4.09Å; L429-T458 HydrophobicContact CD2-CG2 3.78Å
430R82.1Confident93.3Very high244 Ų24456 Ų5692%0.92131%0.308SS*.SBendtrans-80.2-29.3179.2-64.5-176.4-176.7-1760.9112.7
431T87.2Confident93.3Very high48 Ų4856.1 Ų56.129%0.29431%0.308SS..SBendtrans-125.7147-177.652.50000109.6E454T431-E454 HydrophobicContact CG2-CG 4.47Å; T431-E454 VanDerWaalsContact OG1-CG 3.27Å; T431-E454 WeakPolarHBondContact OG1-CG 3.36Å
432P89.6Confident93.3Very high83 Ų8356.9 Ų56.954%0.53931%0.308SS..  trans-67.6138.9177.527.3-33.1000111.1Y417 Q434Y417-P432 VanDerWaalsContact OH-CA 3.29Å; Y417-P432 WeakPolarHBondContact OH-CA 3.48Å; P432-Q434 PolarHBondContact O-N 3.16Å
433L92.2Very high93.5Very high4 Ų458.5 Ų58.52%0.02131%0.311CS..  trans-73120.2176.2-64.8178.5000109.5V377 W383 Y417 L429 V436 N451V377-L433 HydrophobicContact CG2-CB 4.36Å; V377-L433 WeakPolarHBondContact CG2-O 3.45Å; W383-L433 HydrophobicContact CH2-CD1 3.83Å; W383-L433 HydrophobicContact CZ2-CB 4.24Å; W383-L433 HydrophobicContact CZ2-CD1 4.14Å; Y417-L433 HydrophobicContact CD1-CD1 3.71Å; Y417-L433 HydrophobicContact CD1-CG 4.19Å; Y417-L433 HydrophobicContact CE1-CB 3.9Å; Y417-L433 HydrophobicContact CE1-CD1 3.58Å; Y417-L433 HydrophobicContact CE1-CG 3.64Å; Y417-L433 PolarHBondContact OH-N 3.16Å; L429-L433 HydrophobicContact CD1-CD1 3.62Å; L429-L433 HydrophobicContact CD1-CD2 3.89Å; L429-L433 HydrophobicContact CD1-CG 3.6Å; L433-V436 HydrophobicContact CB-CG2 4.02Å; L433-V436 HydrophobicContact CD1-CG2 3.88Å; L433-V436 HydrophobicContact CG-CG2 4.4Å; L433-N451 HydrophobicContact CD2-CB 3.52Å; L433-N451 VanDerWaalsContact CD2-CG 3.46Å; L433-N451 WeakPolarHBondContact CD2-ND2 3.11Å
434Q92.9Very high93.5Very high62 Ų6255.5 Ų55.529%0.2930%0.295SS..SBendtrans-101-37.8172.5-67-64.7-31.900111.2V377 G378 D379 P432V377-Q434 WeakPolarHBondContact CG2-O 3.39Å; V377-Q434 PolarHBondContact N-O 3.5Å; G378-Q434 PolarHBondContact N-O 3.39Å; D379-Q434 PolarHBondContact OD1-NE2 3.26Å; P432-Q434 PolarHBondContact O-N 3.16Å
435R94.3Very high93.5Very high82 Ų8251.8 Ų51.831%0.30928%0.279SS..EExtended strand (participates in β ladder)trans-136.4130.9175.5-173.4176-61.7169.6-1.1110.6E374 V375 E376 V452E374-R435 HydrophobicContact CB-CG 4.28Å; E374-R435 VanDerWaalsContact OE2-CD 3.22Å; E374-R435 WeakPolarHBondContact OE2-CD 3.32Å; V375-R435 WeakPolarHBondContact O-CA 3.48Å; E376-R435 IonicContact OE2-CZ 3.9Å; E376-R435 IonicContact OE2-NE 3.97Å; E376-R435 IonicContact OE2-NH2 2.67Å; E376-R435 PolarHBondContact OE2-NH2 2.69Å; R435-V452 HydrophobicContact CB-CB 4.1Å; R435-V452 HydrophobicContact CG-CB 3.93Å; R435-V452 HydrophobicContact CG-CG1 4.39Å; R435-V452 HydrophobicContact CG-CG2 4Å; R435-V452 PolarHBondContact O-N 3.28Å; R435-V452 VanDerWaalsContact O-N 3.09Å
436V95.9Very high93.5Very high1 Ų152.3 Ų52.31%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-115.6125.6-177.7-173.90000109.4E374 V375 V377 W383 I385 L433 I438 F449 Y450E374-V436 WeakPolarHBondContact CA-O 3.47Å; V375-V436 PolarHBondContact N-O 3.29Å; V375-V436 PolarHBondContact O-N 2.89Å; V377-V436 HydrophobicContact CG1-CG2 4.21Å; V377-V436 HydrophobicContact CG2-CG2 4.29Å; W383-V436 HydrophobicContact CH2-CG2 4.09Å; W383-V436 HydrophobicContact CZ2-CG2 4.49Å; I385-V436 HydrophobicContact CD1-CB 3.54Å; I385-V436 HydrophobicContact CD1-CG1 3.77Å; I385-V436 HydrophobicContact CD1-CG2 3.82Å; L433-V436 HydrophobicContact CB-CG2 4.02Å; L433-V436 HydrophobicContact CD1-CG2 3.88Å; L433-V436 HydrophobicContact CG-CG2 4.4Å; V436-I438 HydrophobicContact CG1-CD1 4.43Å; V436-F449 HydrophobicContact CG1-CD1 4.21Å; V436-Y450 WeakPolarHBondContact CA-O 3.39Å
437G96.1Very high93.5Very high0 Ų049.4 Ų49.40%025%0.253CS..EExtended strand (participates in β ladder)trans-91.7133.4171.600000109.3F449 Y450 V452G437-F449 CarbonylContact O-C 3.16Å; G437-F449 WeakPolarHBondContact O-CA 3.48Å; G437-Y450 PolarHBondContact N-O 3.49Å; G437-Y450 PolarHBondContact O-N 3.11Å; G437-V452 VanDerWaalsContact N-CG2 3.33Å
438I97.5Very high93.7Very high0 Ų048.9 Ų48.90%025%0.251CS..EExtended strand (participates in β ladder)trans-115.6122.1176.7-58.291.5000107.1Y372 W373 V375 I385 V387 V436 V447 F449Y372-I438 VanDerWaalsContact CA-O 3.3Å; Y372-I438 WeakPolarHBondContact CA-O 3.38Å; Y372-I438 WeakPolarHBondContact CD2-O 3.49Å; W373-I438 HydrophobicContact CD2-CB 4.3Å; W373-I438 HydrophobicContact CH2-CG2 3.89Å; W373-I438 HydrophobicContact CZ2-CB 3.94Å; W373-I438 HydrophobicContact CZ2-CG2 3.51Å; W373-I438 PolarHBondContact N-O 3.17Å; W373-I438 PolarHBondContact O-N 3.3Å; V375-I438 HydrophobicContact CB-CD1 4.43Å; V375-I438 HydrophobicContact CG2-CD1 3.64Å; I385-I438 HydrophobicContact CD1-CD1 4.35Å; V387-I438 HydrophobicContact CG1-CG2 4.27Å; V436-I438 HydrophobicContact CG1-CD1 4.43Å; I438-V447 HydrophobicContact CG2-CG1 4.4Å; I438-F449 HydrophobicContact CG1-CD1 3.95Å; I438-F449 HydrophobicContact CG1-CE1 3.83Å; I438-F449 HydrophobicContact CG2-CE1 4.25Å
439F96.9Very high94Very high20 Ų2042.9 Ų42.99%0.08821%0.212CC..EExtended strand (participates in β ladder)trans-115.2125.2175.2-179.2-111.2000109.4A311 Y314 R370 H371 Y372 D441 V447 S448 Y450A311-F439 HydrophobicContact CB-CB 4.17Å; A311-F439 HydrophobicContact CB-CD2 3.66Å; A311-F439 HydrophobicContact CB-CE2 4.19Å; A311-F439 HydrophobicContact CB-CG 3.91Å; Y314-F439 AromaticContact CD2-CE2 3.72Å; Y314-F439 HydrophobicContact CD2-CE2 3.72Å; Y314-F439 HydrophobicContact CD2-CZ 4.28Å; Y314-F439 HydrophobicContact CE2-CE2 4.44Å; Y314-F439 HydrophobicContact CG-CE2 4.25Å; R370-F439 HydrophobicContact CB-CE2 3.96Å; R370-F439 HydrophobicContact CB-CZ 3.96Å; R370-F439 HydrophobicContact CG-CE2 4.38Å; R370-F439 HydrophobicContact CG-CZ 3.86Å; H371-F439 WeakPolarHBondContact O-CA 3.14Å; Y372-F439 HydrophobicContact CD2-CB 4.07Å; Y372-F439 HydrophobicContact CD2-CD2 4.4Å; F439-D441 HydrophobicContact CE1-CB 3.99Å; F439-D441 HydrophobicContact CZ-CB 4.41Å; F439-V447 CarbonylContact O-C 3.54Å; F439-V447 WeakPolarHBondContact O-CA 3.4Å; F439-S448 PolarHBondContact N-O 3.34Å; F439-S448 PolarHBondContact O-N 3.08Å; F439-Y450 HydrophobicContact CB-CD2 4.48Å; F439-Y450 HydrophobicContact CB-CE2 3.77Å
440L97.6Very high94.3Very high0 Ų041.1 Ų41.10%020%0.202CC..EExtended strand (participates in β ladder)trans-110.3118.4175.1169.967.5000108.1F366 R370 H371 W373 V447 F466 V470F366-L440 HydrophobicContact CB-CD2 3.79Å; F366-L440 HydrophobicContact CD2-CD2 3.83Å; F366-L440 HydrophobicContact CG-CD2 4Å; R370-L440 CarbonylContact C-O 3.5Å; R370-L440 VanDerWaalsContact CA-O 3.24Å; R370-L440 WeakPolarHBondContact CA-O 3.45Å; H371-L440 PolarHBondContact N-O 2.82Å; H371-L440 PolarHBondContact O-N 3.49Å; W373-L440 HydrophobicContact CH2-CB 4.37Å; W373-L440 HydrophobicContact CZ3-CB 4.29Å; L440-V447 HydrophobicContact CD1-CG2 4.1Å; L440-F466 HydrophobicContact CD1-CE1 4.37Å; L440-F466 HydrophobicContact CD1-CE2 3.94Å; L440-F466 HydrophobicContact CD1-CZ 3.61Å; L440-V470 HydrophobicContact CD1-CG2 4.28Å; L440-V470 HydrophobicContact CD2-CG2 3.46Å; L440-V470 VanDerWaalsContact CD2-CG2 3.46Å
441D96.5Very high94.8Very high9 Ų929.7 Ų29.75%0.04816%0.159CC..EExtended strand (participates in β ladder)trans-104.595.9161.3-168.5-29.6000107.6R370 F439 D443 A444 G445 E446R370-D441 HydrophobicContact CG-CB 4.11Å; R370-D441 IonicContact CZ-OD2 2.78Å; R370-D441 IonicContact NE-OD2 2.7Å; R370-D441 PolarHBondContact NE-OD2 3.05Å; R370-D441 IonicContact NH2-OD2 3.42Å; R370-D441 PolarHBondContact NH2-OD2 3.32Å; F439-D441 HydrophobicContact CE1-CB 3.99Å; F439-D441 HydrophobicContact CZ-CB 4.41Å; D441-D443 VanDerWaalsContact C-N 3.29Å; D441-D443 PolarHBondContact O-N 3.32Å; D441-D443 PolarHBondContact OD1-N 2.73Å; D441-A444 HydrophobicContact CB-CB 3.99Å; D441-A444 VanDerWaalsContact CG-CB 3.41Å; D441-A444 WeakPolarHBondContact OD1-CB 3.42Å; D441-A444 PolarHBondContact OD1-N 2.87Å; D441-G445 PolarHBondContact O-N 2.78Å; D441-G445 VanDerWaalsContact O-N 3.09Å; D441-E446 HydrophobicContact CB-CB 4.33Å; D441-E446 PolarHBondContact N-O 3.38Å; D441-E446 PolarHBondContact O-N 3.49Å
442Y96.2Very high95Very high46 Ų4628.3 Ų28.318%0.1815%0.15CC..THydrogen-bonded Turntrans-63.4-39.4-176.6-173.2-82.7000111.3I367 G369 G445 F466 G468 V470I367-Y442 WeakPolarHBondContact O-CD1 3.44Å; I367-Y442 WeakPolarHBondContact O-CE1 3.24Å; G369-Y442 WeakPolarHBondContact O-CB 3.05Å; G369-Y442 PolarHBondContact O-N 2.94Å; Y442-G445 PolarHBondContact O-N 3.45Å; Y442-F466 HydrophobicContact CD2-CB 4.43Å; Y442-F466 AromaticContact CD2-CD2 3.87Å; Y442-F466 HydrophobicContact CD2-CD2 3.87Å; Y442-F466 HydrophobicContact CD2-CE2 4.44Å; Y442-F466 HydrophobicContact CD2-CG 4.26Å; Y442-F466 HydrophobicContact CE2-CB 3.8Å; Y442-F466 HydrophobicContact CE2-CD2 4.11Å; Y442-F466 HydrophobicContact CE2-CG 4.11Å; Y442-F466 HydrophobicContact CG-CD2 4.17Å; Y442-G468 PolarHBondContact OH-O 2.79Å; Y442-V470 HydrophobicContact CD2-CG2 3.93Å; Y442-V470 HydrophobicContact CE2-CG1 4.38Å; Y442-V470 HydrophobicContact CE2-CG2 4.2Å
443D94.6Very high94.9Very high114 Ų11428.2 Ų28.261%0.6115%0.148SC*.THydrogen-bonded Turntrans-75.8-34-173.9-57.5-53.2000111.8G369 D441 G445G369-D443 WeakPolarHBondContact CA-OD2 3.28Å; G369-D443 PolarHBondContact N-OD2 2.81Å; D441-D443 VanDerWaalsContact C-N 3.29Å; D441-D443 PolarHBondContact O-N 3.32Å; D441-D443 PolarHBondContact OD1-N 2.73Å; D443-G445 VanDerWaalsContact C-N 3.34Å
444A94.7Very high94.6Very high53 Ų5333 Ų3344%0.43817%0.171SC..THydrogen-bonded Turntrans-80.4-14.3173.500000113.4D441 E446D441-A444 HydrophobicContact CB-CB 3.99Å; D441-A444 VanDerWaalsContact CG-CB 3.41Å; D441-A444 WeakPolarHBondContact OD1-CB 3.42Å; D441-A444 PolarHBondContact OD1-N 2.87Å; A444-E446 HydrophobicContact CB-CG 4.05Å
445G95.2Very high94.3Very high7 Ų737.2 Ų37.27%0.07218%0.184CC..THydrogen-bonded Turntrans70.141-172.900000111.9D441 Y442 D443 H463 A464D441-G445 PolarHBondContact O-N 2.78Å; D441-G445 VanDerWaalsContact O-N 3.09Å; Y442-G445 PolarHBondContact O-N 3.45Å; D443-G445 VanDerWaalsContact C-N 3.34Å; G445-H463 PolarHBondContact O-N 3.23Å; G445-H463 VanDerWaalsContact O-N 3.16Å; G445-A464 WeakPolarHBondContact CA-O 3.44Å; G445-A464 VanDerWaalsContact O-CB 3.3Å; G445-A464 WeakPolarHBondContact O-CB 3.27Å; G445-A464 PolarHBondContact O-N 3.14Å
446E96.4Very high93.9Very high71 Ų7135 Ų3533%0.33218%0.181SC..EExtended strand (participates in β ladder)trans-124139.2-176.2-61.5-169160.300113D441 A444 T460 F461D441-E446 HydrophobicContact CB-CB 4.33Å; D441-E446 PolarHBondContact N-O 3.38Å; D441-E446 PolarHBondContact O-N 3.49Å; A444-E446 HydrophobicContact CB-CG 4.05Å; E446-T460 HydrophobicContact CB-CG2 4.32Å; E446-F461 WeakPolarHBondContact CA-O 3.32Å
447V97.4Very high93.6Very high0 Ų038.5 Ų38.50%020%0.197CC..EExtended strand (participates in β ladder)trans-127.9108.9171.3-171.60000108.7V387 W407 I438 F439 L440 F449 T460 F461 F466V387-V447 HydrophobicContact CG1-CG1 4.42Å; V387-V447 HydrophobicContact CG2-CB 4.3Å; V387-V447 HydrophobicContact CG2-CG1 3.79Å; V387-V447 HydrophobicContact CG2-CG2 3.54Å; W407-V447 HydrophobicContact CB-CB 4.19Å; W407-V447 HydrophobicContact CB-CG1 4.39Å; W407-V447 HydrophobicContact CB-CG2 3.91Å; W407-V447 HydrophobicContact CG-CG2 4.19Å; I438-V447 HydrophobicContact CG2-CG1 4.4Å; F439-V447 CarbonylContact O-C 3.54Å; F439-V447 WeakPolarHBondContact O-CA 3.4Å; L440-V447 HydrophobicContact CD1-CG2 4.1Å; V447-F449 HydrophobicContact CB-CE2 4.42Å; V447-F449 HydrophobicContact CG1-CE2 3.64Å; V447-F449 HydrophobicContact CG1-CZ 3.8Å; V447-T460 CarbonylContact O-C 3.51Å; V447-T460 WeakPolarHBondContact O-CA 3.2Å; V447-F461 HydrophobicContact CB-CB 4.35Å; V447-F461 HydrophobicContact CB-CD2 4.43Å; V447-F461 PolarHBondContact N-O 3.26Å; V447-F461 VanDerWaalsContact N-O 3.1Å; V447-F461 PolarHBondContact O-N 3.5Å; V447-F466 HydrophobicContact CG2-CE1 4.16Å; V447-F466 HydrophobicContact CG2-CZ 3.77Å
448S96.6Very high93.4Very high5 Ų539.5 Ų39.54%0.03520%0.203CC..EExtended strand (participates in β ladder)trans-107.9142.2-176.5-620000111.4F439 F459 T460F439-S448 PolarHBondContact N-O 3.34Å; F439-S448 PolarHBondContact O-N 3.08Å; S448-F459 CarbonylContact C-O 3.57Å; S448-F459 WeakPolarHBondContact CA-O 3.37Å; S448-T460 WeakPolarHBondContact CB-OG1 3.16Å; S448-T460 VanDerWaalsContact OG-CG2 3.29Å; S448-T460 WeakPolarHBondContact OG-CG2 3.22Å; S448-T460 PolarHBondContact OG-OG1 2.83Å
449F96.5Very high93.3Very high0 Ų041.2 Ų41.20%021%0.211CC..EExtended strand (participates in β ladder)trans-120.2137.7-179-65.2-91.3000109.8V409 V436 G437 I438 V447 T458 F459 F461V409-F449 HydrophobicContact CB-CD1 4.29Å; V409-F449 HydrophobicContact CB-CE1 4.39Å; V409-F449 HydrophobicContact CB-CG 4.49Å; V409-F449 HydrophobicContact CG1-CB 4.3Å; V409-F449 HydrophobicContact CG1-CD1 3.94Å; V409-F449 HydrophobicContact CG1-CD2 3.69Å; V409-F449 HydrophobicContact CG1-CE1 4.17Å; V409-F449 HydrophobicContact CG1-CE2 3.96Å; V409-F449 HydrophobicContact CG1-CG 3.69Å; V409-F449 HydrophobicContact CG1-CZ 4.18Å; V409-F449 HydrophobicContact CG2-CD1 3.37Å; V409-F449 HydrophobicContact CG2-CE1 3.59Å; V409-F449 HydrophobicContact CG2-CG 3.94Å; V409-F449 HydrophobicContact CG2-CZ 4.34Å; V436-F449 HydrophobicContact CG1-CD1 4.21Å; G437-F449 CarbonylContact O-C 3.16Å; G437-F449 WeakPolarHBondContact O-CA 3.48Å; I438-F449 HydrophobicContact CG1-CD1 3.95Å; I438-F449 HydrophobicContact CG1-CE1 3.83Å; I438-F449 HydrophobicContact CG2-CE1 4.25Å; V447-F449 HydrophobicContact CB-CE2 4.42Å; V447-F449 HydrophobicContact CG1-CE2 3.64Å; V447-F449 HydrophobicContact CG1-CZ 3.8Å; F449-T458 WeakPolarHBondContact O-CA 3.41Å; F449-T458 VanDerWaalsContact O-CB 3.27Å; F449-T458 WeakPolarHBondContact O-CB 3.19Å; F449-T458 PolarHBondContact O-N 2.9Å; F449-F459 PolarHBondContact N-O 2.66Å; F449-F459 PolarHBondContact O-N 3.28Å; F449-F461 HydrophobicContact CD2-CD2 4.34Å; F449-F461 HydrophobicContact CD2-CE2 4.26Å; F449-F461 AromaticContact CE2-CD2 3.69Å; F449-F461 HydrophobicContact CE2-CD2 3.69Å; F449-F461 AromaticContact CE2-CE2 3.57Å; F449-F461 HydrophobicContact CE2-CE2 3.57Å; F449-F461 HydrophobicContact CZ-CE2 4.37Å
450Y93.7Very high93.2Very high15 Ų1542.1 Ų42.16%0.05922%0.218CC..EExtended strand (participates in β ladder)trans-128.8141.8-177-60.3-93.2000111.4L308 A311 Y372 V436 G437 F439 V452 C456 H457L308-Y450 HydrophobicContact CB-CD1 4.27Å; L308-Y450 HydrophobicContact CD1-CD1 4.02Å; L308-Y450 HydrophobicContact CD1-CD2 4.31Å; L308-Y450 HydrophobicContact CD1-CG 3.78Å; A311-Y450 HydrophobicContact CB-CE2 4.25Å; Y372-Y450 HydrophobicContact CE2-CD2 4.46Å; V436-Y450 WeakPolarHBondContact CA-O 3.39Å; G437-Y450 PolarHBondContact N-O 3.49Å; G437-Y450 PolarHBondContact O-N 3.11Å; F439-Y450 HydrophobicContact CB-CD2 4.48Å; F439-Y450 HydrophobicContact CB-CE2 3.77Å; Y450-V452 PolarHBondContact O-N 2.84Å; Y450-C456 CarbonylContact C-O 3.59Å; Y450-C456 WeakPolarHBondContact CA-O 3.34Å; Y450-H457 HydrophobicContact CD1-CB 4.2Å; Y450-H457 HydrophobicContact CE1-CB 4.12Å
451N92.2Very high93.2Very high4 Ų442.6 Ų42.62%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-83.1103.2163.4-177.5-15.8000107.3L433 T453 E454 R455 C456 T458L433-N451 HydrophobicContact CD2-CB 3.52Å; L433-N451 VanDerWaalsContact CD2-CG 3.46Å; L433-N451 WeakPolarHBondContact CD2-ND2 3.11Å; N451-T453 VanDerWaalsContact C-N 3.27Å; N451-T453 PolarHBondContact O-N 3.22Å; N451-T453 WeakPolarHBondContact OD1-CB 3.24Å; N451-T453 PolarHBondContact OD1-N 2.97Å; N451-T453 VanDerWaalsContact OD1-N 3.16Å; N451-E454 HydrophobicContact CB-CB 4.37Å; N451-E454 WeakPolarHBondContact ND2-CG 3.43Å; N451-E454 PolarHBondContact OD1-N 3.39Å; N451-R455 WeakPolarHBondContact O-CA 3.2Å; N451-R455 PolarHBondContact O-N 3.2Å; N451-C456 PolarHBondContact N-O 2.89Å; N451-C456 PolarHBondContact O-N 3.11Å; N451-C456 VanDerWaalsContact O-N 3.13Å; N451-T458 PolarHBondContact N-OG1 2.72Å; N451-T458 VanDerWaalsContact N-OG1 3.14Å
452V91.3Very high93Very high18 Ų1845.4 Ų45.411%0.10924%0.24CC..THydrogen-bonded Turntrans-68.1-32.6-175.3-177.50000111E374 R435 G437 Y450 R455E374-V452 HydrophobicContact CG-CG2 4.14Å; R435-V452 HydrophobicContact CB-CB 4.1Å; R435-V452 HydrophobicContact CG-CB 3.93Å; R435-V452 HydrophobicContact CG-CG1 4.39Å; R435-V452 HydrophobicContact CG-CG2 4Å; R435-V452 PolarHBondContact O-N 3.28Å; R435-V452 VanDerWaalsContact O-N 3.09Å; G437-V452 VanDerWaalsContact N-CG2 3.33Å; Y450-V452 PolarHBondContact O-N 2.84Å; V452-R455 PolarHBondContact O-N 2.83Å
453T89.2Confident92.6Very high81 Ų8150.6 Ų50.650%0.49727%0.266SS..THydrogen-bonded Turntrans-66.7-46.8-179.9-52.30000111.5N451 R455N451-T453 VanDerWaalsContact C-N 3.27Å; N451-T453 PolarHBondContact O-N 3.22Å; N451-T453 WeakPolarHBondContact OD1-CB 3.24Å; N451-T453 PolarHBondContact OD1-N 2.97Å; N451-T453 VanDerWaalsContact OD1-N 3.16Å; T453-R455 VanDerWaalsContact C-N 3.32Å
454E85.9Confident92.3Very high106 Ų10645.7 Ų45.750%0.49524%0.241SC..THydrogen-bonded Turntrans-87.2-2.3177.8-64.9-63.113700113.4T431 N451 C456T431-E454 HydrophobicContact CG2-CG 4.47Å; T431-E454 VanDerWaalsContact OG1-CG 3.27Å; T431-E454 WeakPolarHBondContact OG1-CG 3.36Å; N451-E454 HydrophobicContact CB-CB 4.37Å; N451-E454 WeakPolarHBondContact ND2-CG 3.43Å; N451-E454 PolarHBondContact OD1-N 3.39Å; E454-C456 VanDerWaalsContact C-N 3.3Å; E454-C456 PolarHBondContact O-N 3.14Å
455R85.7Confident92.1Very high149 Ų14948.4 Ų48.456%0.56225%0.252SS*.THydrogen-bonded Turntrans51.944.3-177-57-174.9178116.5-0.6113.5I305 L308 N451 V452 T453I305-R455 HydrophobicContact CG1-CB 4.34Å; L308-R455 HydrophobicContact CD2-CB 4.02Å; L308-R455 HydrophobicContact CD2-CG 4.25Å; N451-R455 WeakPolarHBondContact O-CA 3.2Å; N451-R455 PolarHBondContact O-N 3.2Å; V452-R455 PolarHBondContact O-N 2.83Å; T453-R455 VanDerWaalsContact C-N 3.32Å
456C86Confident91.9Very high37 Ų3749.3 Ų49.325%0.2525%0.254CS..EExtended strand (participates in β ladder)trans-132.3150.9-177.167.40000113.1K304 Y450 N451 E454K304-C456 HydrophobicContact CD-CB 4.31Å; Y450-C456 CarbonylContact C-O 3.59Å; Y450-C456 WeakPolarHBondContact CA-O 3.34Å; N451-C456 PolarHBondContact N-O 2.89Å; N451-C456 PolarHBondContact O-N 3.11Å; N451-C456 VanDerWaalsContact O-N 3.13Å; E454-C456 VanDerWaalsContact C-N 3.3Å; E454-C456 PolarHBondContact O-N 3.14Å
457H90Very high91.5Very high74 Ų7451 Ų5134%0.34327%0.272SS..EExtended strand (participates in β ladder)trans-63.6139.5170174.1-90.4000111.1Y450 F459 T460Y450-H457 HydrophobicContact CD1-CB 4.2Å; Y450-H457 HydrophobicContact CE1-CB 4.12Å; H457-F459 PolarHBondContact CE1-N 3.19Å; H457-F459 VanDerWaalsContact NE2-C 3.31Å; H457-T460 PolarHBondContact NE2-OG1 3.46Å
458T91.5Very high91.3Very high20 Ų2051.8 Ų51.812%0.12328%0.28CS..EExtended strand (participates in β ladder)trans-108.4-54.4179.5-53.30000111.2L427 L429 F449 N451L427-T458 HydrophobicContact CD1-CG2 4.24Å; L429-T458 HydrophobicContact CD1-CG2 4.09Å; L429-T458 HydrophobicContact CD2-CG2 3.78Å; F449-T458 WeakPolarHBondContact O-CA 3.41Å; F449-T458 VanDerWaalsContact O-CB 3.27Å; F449-T458 WeakPolarHBondContact O-CB 3.19Å; F449-T458 PolarHBondContact O-N 2.9Å; N451-T458 PolarHBondContact N-OG1 2.72Å; N451-T458 VanDerWaalsContact N-OG1 3.14Å
459F94.5Very high91.3Very high37 Ų3754 Ų5416%0.16230%0.295CS..EExtended strand (participates in β ladder)trans-163.6148.6-176.9-172.7-100.5000111A419 T421 T425 L427 S448 F449 H457 F461A419-F459 HydrophobicContact CB-CD1 3.62Å; A419-F459 HydrophobicContact CB-CD2 4.07Å; A419-F459 HydrophobicContact CB-CE1 3.55Å; A419-F459 HydrophobicContact CB-CE2 4.01Å; A419-F459 HydrophobicContact CB-CG 3.88Å; A419-F459 HydrophobicContact CB-CZ 3.76Å; T421-F459 HydrophobicContact CG2-CE1 4.17Å; T421-F459 HydrophobicContact CG2-CZ 3.84Å; T425-F459 HydrophobicContact CG2-CE2 4.34Å; L427-F459 HydrophobicContact CD1-CB 4.19Å; L427-F459 HydrophobicContact CD2-CB 3.96Å; L427-F459 HydrophobicContact CD2-CD2 3.52Å; L427-F459 HydrophobicContact CD2-CE2 4.3Å; L427-F459 HydrophobicContact CD2-CG 3.94Å; S448-F459 CarbonylContact C-O 3.57Å; S448-F459 WeakPolarHBondContact CA-O 3.37Å; F449-F459 PolarHBondContact N-O 2.66Å; F449-F459 PolarHBondContact O-N 3.28Å; H457-F459 PolarHBondContact CE1-N 3.19Å; H457-F459 VanDerWaalsContact NE2-C 3.31Å; F459-F461 AromaticContact CD1-CD2 3.77Å; F459-F461 HydrophobicContact CD1-CD2 3.77Å; F459-F461 AromaticContact CD1-CE2 3.67Å; F459-F461 HydrophobicContact CD1-CE2 3.67Å; F459-F461 HydrophobicContact CD1-CG 4.36Å; F459-F461 HydrophobicContact CD1-CZ 4.2Å; F459-F461 AromaticContact CE1-CD1 3.92Å; F459-F461 HydrophobicContact CE1-CD1 3.92Å; F459-F461 AromaticContact CE1-CD2 3.62Å; F459-F461 HydrophobicContact CE1-CD2 3.62Å; F459-F461 AromaticContact CE1-CE1 3.93Å; F459-F461 HydrophobicContact CE1-CE1 3.93Å; F459-F461 AromaticContact CE1-CE2 3.62Å; F459-F461 HydrophobicContact CE1-CE2 3.62Å; F459-F461 AromaticContact CE1-CG 3.78Å; F459-F461 HydrophobicContact CE1-CG 3.78Å; F459-F461 AromaticContact CE1-CZ 3.78Å; F459-F461 HydrophobicContact CE1-CZ 3.78Å
460T95.5Very high91.3Very high38 Ų3854 Ų5423%0.23330%0.295CS..EExtended strand (participates in β ladder)trans-127.8128.8170.9-64.50000110E446 V447 S448 H457 S462E446-T460 HydrophobicContact CB-CG2 4.32Å; V447-T460 CarbonylContact O-C 3.51Å; V447-T460 WeakPolarHBondContact O-CA 3.2Å; S448-T460 WeakPolarHBondContact CB-OG1 3.16Å; S448-T460 VanDerWaalsContact OG-CG2 3.29Å; S448-T460 WeakPolarHBondContact OG-CG2 3.22Å; S448-T460 PolarHBondContact OG-OG1 2.83Å; H457-T460 PolarHBondContact NE2-OG1 3.46Å; T460-S462 PolarHBondContact O-N 3.01Å
461F97Very high91.5Very high11 Ų1154.2 Ų54.25%0.04830%0.296CS..EExtended strand (participates in β ladder)trans-81.4106.4160.6-66.1-96000107.6P402 W407 A408 A419 T421 E446 V447 F449 F459P402-F461 HydrophobicContact CG-CD1 4.18Å; P402-F461 HydrophobicContact CG-CE1 4.04Å; W407-F461 HydrophobicContact CB-CD1 4.49Å; W407-F461 HydrophobicContact CB-CD2 4.13Å; W407-F461 HydrophobicContact CB-CE2 4.42Å; W407-F461 HydrophobicContact CB-CG 4.16Å; W407-F461 AromaticContact CD1-CD1 3.75Å; W407-F461 AromaticContact CD1-CG 3.79Å; W407-F461 HydrophobicContact CG-CG 4.4Å; A408-F461 WeakPolarHBondContact O-CZ 3.38Å; A419-F461 HydrophobicContact CB-CZ 4.1Å; T421-F461 HydrophobicContact CG2-CD1 3.94Å; T421-F461 HydrophobicContact CG2-CE1 3.47Å; T421-F461 VanDerWaalsContact CG2-CE1 3.47Å; T421-F461 HydrophobicContact CG2-CZ 4.31Å; E446-F461 WeakPolarHBondContact CA-O 3.32Å; V447-F461 HydrophobicContact CB-CB 4.35Å; V447-F461 HydrophobicContact CB-CD2 4.43Å; V447-F461 PolarHBondContact N-O 3.26Å; V447-F461 VanDerWaalsContact N-O 3.1Å; V447-F461 PolarHBondContact O-N 3.5Å; F449-F461 HydrophobicContact CD2-CD2 4.34Å; F449-F461 HydrophobicContact CD2-CE2 4.26Å; F449-F461 AromaticContact CE2-CD2 3.69Å; F449-F461 HydrophobicContact CE2-CD2 3.69Å; F449-F461 AromaticContact CE2-CE2 3.57Å; F449-F461 HydrophobicContact CE2-CE2 3.57Å; F449-F461 HydrophobicContact CZ-CE2 4.37Å; F459-F461 AromaticContact CD1-CD2 3.77Å; F459-F461 HydrophobicContact CD1-CD2 3.77Å; F459-F461 AromaticContact CD1-CE2 3.67Å; F459-F461 HydrophobicContact CD1-CE2 3.67Å; F459-F461 HydrophobicContact CD1-CG 4.36Å; F459-F461 HydrophobicContact CD1-CZ 4.2Å; F459-F461 AromaticContact CE1-CD1 3.92Å; F459-F461 HydrophobicContact CE1-CD1 3.92Å; F459-F461 AromaticContact CE1-CD2 3.62Å; F459-F461 HydrophobicContact CE1-CD2 3.62Å; F459-F461 AromaticContact CE1-CE1 3.93Å; F459-F461 HydrophobicContact CE1-CE1 3.93Å; F459-F461 AromaticContact CE1-CE2 3.62Å; F459-F461 HydrophobicContact CE1-CE2 3.62Å; F459-F461 AromaticContact CE1-CG 3.78Å; F459-F461 HydrophobicContact CE1-CG 3.78Å; F459-F461 AromaticContact CE1-CZ 3.78Å; F459-F461 HydrophobicContact CE1-CZ 3.78Å
462S92.5Very high91.7Very high67 Ų6754 Ų5447%0.46929%0.294SS..  trans-86.6151.1170.854.20000110.7T460 A464T460-S462 PolarHBondContact O-N 3.01Å; S462-A464 VanDerWaalsContact C-N 3.33Å; S462-A464 PolarHBondContact O-N 3.47Å
463H88.9Confident92Very high156 Ų15653.4 Ų53.472%0.72229%0.29SS*.SBendtrans62.233.3176-43.7-67.1000114.8G445 T465G445-H463 PolarHBondContact O-N 3.23Å; G445-H463 VanDerWaalsContact O-N 3.16Å; H463-T465 PolarHBondContact O-N 2.83Å
464A88.4Confident92.3Very high10 Ų1049.7 Ų49.78%0.08327%0.267CS..  trans-60121.3167.600000109.9W407 G445 S462 F466W407-A464 HydrophobicContact CD2-CB 4.33Å; W407-A464 HydrophobicContact CZ2-CB 3.92Å; W407-A464 VanDerWaalsContact NE1-CB 3.31Å; G445-A464 WeakPolarHBondContact CA-O 3.44Å; G445-A464 VanDerWaalsContact O-CB 3.3Å; G445-A464 WeakPolarHBondContact O-CB 3.27Å; G445-A464 PolarHBondContact O-N 3.14Å; S462-A464 VanDerWaalsContact C-N 3.33Å; S462-A464 PolarHBondContact O-N 3.47Å; A464-F466 HydrophobicContact CB-CD1 4.22Å; A464-F466 HydrophobicContact CB-CE1 3.55Å; A464-F466 HydrophobicContact CB-CE2 4.09Å; A464-F466 HydrophobicContact CB-CZ 3.48Å; A464-F466 VanDerWaalsContact CB-CZ 3.48Å; A464-F466 PolarHBondContact O-N 3.44Å
465T88.9Confident92.7Very high111 Ų11145.3 Ų45.368%0.68125%0.249SC*.  trans-92.492.3174.3-52.20000108.6H463 C467H463-T465 PolarHBondContact O-N 2.83Å; T465-C467 PolarHBondContact O-N 3.03Å
466F90.9Very high92.9Very high26 Ų2638.5 Ų38.511%0.11422%0.223CC..  trans-75.3116.4176.3-53.9-54.8000109.9W407 L440 Y442 V447 A464 G468 V470W407-F466 HydrophobicContact CD2-CE1 4.04Å; W407-F466 HydrophobicContact CE3-CD1 4.27Å; W407-F466 AromaticContact CE3-CE1 3.86Å; W407-F466 HydrophobicContact CE3-CE1 3.86Å; W407-F466 AromaticContact CH2-CD1 3.52Å; W407-F466 HydrophobicContact CH2-CD1 3.52Å; W407-F466 AromaticContact CH2-CE1 3.87Å; W407-F466 HydrophobicContact CH2-CE1 3.87Å; W407-F466 AromaticContact CZ2-CD1 3.98Å; W407-F466 HydrophobicContact CZ2-CD1 3.98Å; W407-F466 HydrophobicContact CZ2-CE1 4.04Å; W407-F466 AromaticContact CZ3-CD1 3.68Å; W407-F466 HydrophobicContact CZ3-CD1 3.68Å; W407-F466 AromaticContact CZ3-CE1 3.77Å; W407-F466 HydrophobicContact CZ3-CE1 3.77Å; L440-F466 HydrophobicContact CD1-CE1 4.37Å; L440-F466 HydrophobicContact CD1-CE2 3.94Å; L440-F466 HydrophobicContact CD1-CZ 3.61Å; Y442-F466 HydrophobicContact CD2-CB 4.43Å; Y442-F466 AromaticContact CD2-CD2 3.87Å; Y442-F466 HydrophobicContact CD2-CD2 3.87Å; Y442-F466 HydrophobicContact CD2-CE2 4.44Å; Y442-F466 HydrophobicContact CD2-CG 4.26Å; Y442-F466 HydrophobicContact CE2-CB 3.8Å; Y442-F466 HydrophobicContact CE2-CD2 4.11Å; Y442-F466 HydrophobicContact CE2-CG 4.11Å; Y442-F466 HydrophobicContact CG-CD2 4.17Å; V447-F466 HydrophobicContact CG2-CE1 4.16Å; V447-F466 HydrophobicContact CG2-CZ 3.77Å; A464-F466 HydrophobicContact CB-CD1 4.22Å; A464-F466 HydrophobicContact CB-CE1 3.55Å; A464-F466 HydrophobicContact CB-CE2 4.09Å; A464-F466 HydrophobicContact CB-CZ 3.48Å; A464-F466 VanDerWaalsContact CB-CZ 3.48Å; A464-F466 PolarHBondContact O-N 3.44Å; F466-G468 VanDerWaalsContact C-N 3.34Å; F466-V470 HydrophobicContact CB-CG1 4.3Å; F466-V470 HydrophobicContact CD1-CG1 3.61Å; F466-V470 HydrophobicContact CE1-CG1 4.18Å; F466-V470 HydrophobicContact CG-CG1 4.09Å
467C88.3Confident92.8Very high106 Ų10637.4 Ų37.472%0.71622%0.216SC*.  trans-89.42.2-179.7-62.30000113.4E389 T465E389-C467 WeakPolarHBondContact OE1-CB 3.37Å; E389-C467 PolarHBondContact OE1-N 3.44Å; T465-C467 PolarHBondContact O-N 3.03Å
468G93.4Very high92.1Very high16 Ų1639.2 Ų39.217%0.16522%0.22CC..SBendtrans175.4-165.5-176.300000112.3Y442 F466 V470Y442-G468 PolarHBondContact OH-O 2.79Å; F466-G468 VanDerWaalsContact C-N 3.34Å; G468-V470 PolarHBondContact O-N 3.41Å
469P96.4Very high90.8Very high53 Ų5340.4 Ų40.434%0.34423%0.23SC..  trans-56.8139.3177.5-19.530.1000111.6C365 F366 I367 D390C365-P469 HydrophobicContact CB-CB 4.22Å; F366-P469 WeakPolarHBondContact O-CA 3.44Å; I367-P469 HydrophobicContact CG2-CB 3.72Å; I367-P469 HydrophobicContact CG2-CG 3.75Å; D390-P469 HydrophobicContact CB-CB 4.23Å; D390-P469 WeakPolarHBondContact CB-O 3.4Å; D390-P469 PolarHBondContact N-O 3.3Å
470V97.3Very high88.6Confident0 Ų039.9 Ų39.90%024%0.235CC..EExtended strand (participates in β ladder)trans-113.2150.5175.7-62.90000110.9C365 F366 C388 E389 L440 Y442 F466 G468C365-V470 WeakPolarHBondContact CA-O 3.2Å; F366-V470 HydrophobicContact CB-CG2 4.03Å; F366-V470 PolarHBondContact N-O 3.13Å; F366-V470 PolarHBondContact O-N 2.77Å; C388-V470 CarbonylContact O-C 3.58Å; C388-V470 VanDerWaalsContact O-CA 3.3Å; C388-V470 WeakPolarHBondContact O-CA 3.47Å; E389-V470 HydrophobicContact CG-CG1 4.48Å; L440-V470 HydrophobicContact CD1-CG2 4.28Å; L440-V470 HydrophobicContact CD2-CG2 3.46Å; L440-V470 VanDerWaalsContact CD2-CG2 3.46Å; Y442-V470 HydrophobicContact CD2-CG2 3.93Å; Y442-V470 HydrophobicContact CE2-CG1 4.38Å; Y442-V470 HydrophobicContact CE2-CG2 4.2Å; F466-V470 HydrophobicContact CB-CG1 4.3Å; F466-V470 HydrophobicContact CD1-CG1 3.61Å; F466-V470 HydrophobicContact CE1-CG1 4.18Å; F466-V470 HydrophobicContact CG-CG1 4.09Å; G468-V470 PolarHBondContact O-N 3.41Å
471R97.2Very high86.8Confident18 Ų1840.6 Ų40.67%0.06825%0.25CC..EExtended strand (participates in β ladder)trans-129.9149.9-178.2-61.1-166.470.2170.74.8111.1D321 L361 G362 C365 V387 C388 D390 Y473D321-R471 IonicContact OD2-CZ 3.49Å; D321-R471 VanDerWaalsContact OD2-CZ 3.24Å; D321-R471 IonicContact OD2-NH1 3.36Å; D321-R471 PolarHBondContact OD2-NH1 3.16Å; D321-R471 IonicContact OD2-NH2 3.18Å; D321-R471 PolarHBondContact OD2-NH2 3.41Å; L361-R471 HydrophobicContact CB-CB 4.5Å; L361-R471 HydrophobicContact CD1-CB 4.33Å; G362-R471 PolarHBondContact O-NE 2.84Å; G362-R471 PolarHBondContact O-NH2 3.22Å; C365-R471 HydrophobicContact CB-CG 4.1Å; C365-R471 WeakPolarHBondContact SG-CD 3.36Å; C365-R471 VanDerWaalsContact SG-CG 3.57Å; C365-R471 PolarHBondContact SG-NE 3.4Å; V387-R471 CarbonylContact C-O 3.38Å; V387-R471 VanDerWaalsContact CA-O 3.31Å; V387-R471 WeakPolarHBondContact CA-O 3.47Å; C388-R471 PolarHBondContact N-O 3.06Å; C388-R471 PolarHBondContact O-N 2.99Å; D390-R471 HydrophobicContact CB-CG 4.22Å; D390-R471 WeakPolarHBondContact OD1-CD 3.15Å; D390-R471 IonicContact OD1-NH1 2.73Å; R471-Y473 PolarHBondContact O-N 3.5Å
472P97.6Very high84.5Confident0 Ų050.7 Ų50.70%029%0.294CS..EExtended strand (participates in β ladder)trans-56.5137.2166.2-22.333.4000110.4V318 L361 G362 F366 W373 F474V318-P472 HydrophobicContact CG1-CB 4.03Å; V318-P472 HydrophobicContact CG1-CG 3.69Å; V318-P472 HydrophobicContact CG2-CG 4.2Å; L361-P472 CarbonylContact C-O 3.58Å; L361-P472 VanDerWaalsContact CA-O 3.26Å; L361-P472 WeakPolarHBondContact CA-O 3.45Å; G362-P472 PolarHBondContact N-O 3.46Å; F366-P472 HydrophobicContact CE2-CG 3.93Å; W373-P472 HydrophobicContact CH2-CG 4.16Å; W373-P472 HydrophobicContact CZ2-CB 3.75Å; W373-P472 HydrophobicContact CZ2-CG 3.81Å; P472-F474 HydrophobicContact CB-CE2 3.71Å; P472-F474 HydrophobicContact CB-CZ 3.63Å
473Y97.3Very high82.7Confident6 Ų648.8 Ų48.82%0.02428%0.28CS..EExtended strand (participates in β ladder)trans-122.6128.6-176.2173.3-106.4000110.1F354 C359 L361 T384 I385 G386 C388 S400 F406 A408 R471F354-Y473 HydrophobicContact CZ-CE2 4.11Å; C359-Y473 HydrophobicContact CB-CE2 3.99Å; C359-Y473 PolarHBondContact SG-OH 3.18Å; L361-Y473 HydrophobicContact CD2-CD2 3.88Å; T384-Y473 HydrophobicContact CG2-CE1 4.01Å; I385-Y473 CarbonylContact C-O 3.52Å; I385-Y473 WeakPolarHBondContact CA-O 3.33Å; G386-Y473 PolarHBondContact N-O 3.26Å; G386-Y473 PolarHBondContact O-N 2.77Å; C388-Y473 HydrophobicContact CB-CD2 4.42Å; C388-Y473 HydrophobicContact CB-CG 4.36Å; S400-Y473 PolarHBondContact OG-OH 2.94Å; F406-Y473 HydrophobicContact CD1-CD1 4.3Å; F406-Y473 HydrophobicContact CD1-CD2 4.25Å; F406-Y473 HydrophobicContact CD1-CE1 4.17Å; F406-Y473 HydrophobicContact CD1-CE2 4.13Å; F406-Y473 HydrophobicContact CD1-CG 4.32Å; F406-Y473 AromaticContact CE1-CD2 3.97Å; F406-Y473 HydrophobicContact CE1-CD2 3.97Å; F406-Y473 HydrophobicContact CE1-CE1 4.46Å; F406-Y473 AromaticContact CE1-CE2 3.66Å; F406-Y473 HydrophobicContact CE1-CE2 3.66Å; F406-Y473 AromaticContact CE1-CZ 3.91Å; A408-Y473 HydrophobicContact CB-CD1 4.29Å; R471-Y473 PolarHBondContact O-N 3.5Å
474F96.3Very high81.6Confident2 Ų243.8 Ų43.81%0.00927%0.266CS..EExtended strand (participates in β ladder)trans-132.4129.8178.3-45.3-80.1000110V318 L320 C359 V360 V375 I385 P472 I489V318-F474 HydrophobicContact CG1-CZ 4.35Å; L320-F474 HydrophobicContact CD2-CD2 3.65Å; L320-F474 HydrophobicContact CD2-CE2 3.93Å; L320-F474 HydrophobicContact CD2-CG 4.39Å; C359-F474 CarbonylContact C-O 3.51Å; C359-F474 VanDerWaalsContact CA-O 3.3Å; C359-F474 WeakPolarHBondContact CA-O 3.4Å; V360-F474 HydrophobicContact CG1-CB 4Å; V360-F474 HydrophobicContact CG1-CD2 4.42Å; V360-F474 PolarHBondContact N-O 3.14Å; V360-F474 PolarHBondContact O-N 3.35Å; V360-F474 VanDerWaalsContact O-O 3.11Å; V375-F474 HydrophobicContact CG2-CD1 4.29Å; V375-F474 HydrophobicContact CG2-CE1 3.58Å; I385-F474 HydrophobicContact CB-CD1 4.44Å; I385-F474 HydrophobicContact CG2-CD1 4.02Å; P472-F474 HydrophobicContact CB-CE2 3.71Å; P472-F474 HydrophobicContact CB-CZ 3.63Å; F474-I489 HydrophobicContact CE1-CD1 4.33Å; F474-I489 HydrophobicContact CE1-CG1 4.38Å; F474-I489 HydrophobicContact CE2-CD1 3.76Å; F474-I489 HydrophobicContact CZ-CD1 3.6Å; F474-I489 HydrophobicContact CZ-CG1 4.11Å
475S93.5Very high81.2Confident15 Ų1545.4 Ų45.411%0.10528%0.279CS..EExtended strand (participates in β ladder)trans-134.6129.7178.6177.30000110.8P358 C359 W383 T384P358-S475 WeakPolarHBondContact O-CA 3.26Å; C359-S475 VanDerWaalsContact SG-CB 3.54Å; C359-S475 PolarHBondContact SG-OG 3.28Å; W383-S475 WeakPolarHBondContact CA-O 3.11Å; T384-S475 PolarHBondContact N-O 3.37Å; T384-S475 PolarHBondContact O-N 2.69Å
476L90.4Very high81.2Confident5 Ų542 Ų423%0.02626%0.259CS..EExtended strand (participates in β ladder)trans-104.7158.5-179.8-70.577.7000109.8L329 V338 P358 L487L329-L476 HydrophobicContact CD2-CB 4.32Å; L329-L476 HydrophobicContact CD2-CD1 4.23Å; L329-L476 HydrophobicContact CD2-CD2 4.18Å; L329-L476 HydrophobicContact CD2-CG 4.49Å; V338-L476 HydrophobicContact CG1-CD1 3.89Å; V338-L476 HydrophobicContact CG2-CD1 4.01Å; V338-L476 HydrophobicContact CG2-CD2 4.26Å; P358-L476 HydrophobicContact CB-CB 4.39Å; P358-L476 WeakPolarHBondContact CB-O 3.15Å; P358-L476 VanDerWaalsContact CG-O 3.23Å; P358-L476 WeakPolarHBondContact CG-O 3.38Å; P358-L476 PolarHBondContact O-N 2.69Å; L476-L487 HydrophobicContact CD1-CD1 3.72Å; L476-L487 HydrophobicContact CD1-CG 4.4Å; L476-L487 HydrophobicContact CG-CD1 3.96Å; L476-L487 HydrophobicContact CG-CG 4.3Å
477S82.3Confident81.3Confident14 Ų1440.9 Ų40.910%0.09825%0.254CS..  trans-88.8155.1172.651.30000112.5K382 S479K382-S477 PolarHBondContact O-OG 2.65Å; S477-S479 PolarHBondContact O-N 2.81Å; S477-S479 PolarHBondContact OG-OG 3.18Å; S477-S479 VanDerWaalsContact OG-OG 3.1Å
478Y76.3Confident81.6Confident112 Ų11237.9 Ų37.944%0.43923%0.23SC..SBendtrans-7017.4174.2-58.3-85.3000114.4Y340 L356 F357 P358 G480Y340-Y478 AromaticContact CE2-CD1 3.91Å; Y340-Y478 HydrophobicContact CE2-CD1 3.91Å; Y340-Y478 AromaticContact CZ-CD1 3.99Å; L356-Y478 PolarHBondContact O-OH 3.24Å; F357-Y478 WeakPolarHBondContact CA-OH 3.45Å; P358-Y478 HydrophobicContact CG-CD1 3.89Å; P358-Y478 HydrophobicContact CG-CD2 4.23Å; P358-Y478 HydrophobicContact CG-CE1 3.62Å; P358-Y478 HydrophobicContact CG-CE2 3.96Å; P358-Y478 HydrophobicContact CG-CG 4.19Å; Y478-G480 PolarHBondContact O-N 3.32Å
479S63.4Low81.7Confident45 Ų4537.3 Ų37.332%0.31522%0.224SC..  trans-88.6106.1178.960.70000110.2S477S477-S479 PolarHBondContact O-N 2.81Å; S477-S479 PolarHBondContact OG-OG 3.18Å; S477-S479 VanDerWaalsContact OG-OG 3.1Å
480G49.5Very low81.6Confident26 Ų2635.6 Ų35.627%0.26821%0.213SC..  trans-89.9159.316100000111.9Y342 Y478Y342-G480 VanDerWaalsContact CZ-CA 3.47Å; Y342-G480 WeakPolarHBondContact OH-CA 3.33Å; Y342-G480 PolarHBondContact OH-N 3.14Å; Y342-G480 PolarHBondContact OH-O 2.94Å; Y478-G480 PolarHBondContact O-N 3.32Å
481G57.8Low81Confident53 Ų5339.4 Ų39.455%0.54624%0.238SC..SBendtrans115.8-141.3-174.500000112.7S483 A484G481-S483 PolarHBondContact O-N 3.32Å; G481-A484 WeakPolarHBondContact O-CB 3.49Å; G481-A484 PolarHBondContact O-N 3.09Å
482K48.3Very low80Confident224 Ų22443.4 Ų43.497%0.97426%0.258SS*.THydrogen-bonded Turntrans-56.5-13.2-179.6-75.3-176.6176.6-1790114.7
483S53.6Low78.1Confident27 Ų2746.3 Ų46.319%0.18928%0.279CS..THydrogen-bonded Turntrans-100.115.5173.7-59.80000114.6K380 G481 A485K380-S483 PolarHBondContact NZ-O 3.41Å; G481-S483 PolarHBondContact O-N 3.32Å; S483-A485 PolarHBondContact O-N 2.63Å
484A66Low75.7Confident51 Ų5148.9 Ų48.942%0.42131%0.307SS..  trans-72.52.917900000114.9G481G481-A484 WeakPolarHBondContact O-CB 3.49Å; G481-A484 PolarHBondContact O-N 3.09Å
485A80.7Confident73.3Confident44 Ų4453.2 Ų53.236%0.36433%0.329SS..PPolyproline II helixtrans-54.2136.3173.500000110.7K380 S483K380-A485 HydrophobicContact CG-CB 4.3Å; K380-A485 PolarHBondContact NZ-O 2.79Å; S483-A485 PolarHBondContact O-N 2.63Å
486P88.9Confident70.6Confident40 Ų4059.5 Ų59.526%0.2636%0.362SS..PPolyproline II helixtrans-68.6153.4176.828.8-33.2000111.1Q337 V338 R339 I488Q337-P486 HydrophobicContact CB-CB 4.14Å; V338-P486 CarbonylContact O-C 3.58Å; V338-P486 WeakPolarHBondContact O-CA 3.43Å; V338-P486 WeakPolarHBondContact O-CB 3.49Å; R339-P486 HydrophobicContact CB-CB 4.19Å; P486-I488 HydrophobicContact CB-CG1 4.31Å; P486-I488 HydrophobicContact CG-CD1 4.18Å; P486-I488 HydrophobicContact CG-CG1 3.99Å
487L92.6Very high68Low2 Ų261.8 Ų61.81%0.0139%0.387CS..EExtended strand (participates in β ladder)trans-77.8134.6154.8-65.7179.4000107.5Q337 V338 V375 V377 K380 W383 I385 L476Q337-L487 VanDerWaalsContact CA-O 3.29Å; Q337-L487 WeakPolarHBondContact CA-O 3.48Å; V338-L487 HydrophobicContact CG1-CB 3.89Å; V338-L487 PolarHBondContact N-O 2.93Å; V338-L487 PolarHBondContact O-N 3.23Å; V375-L487 HydrophobicContact CG1-CB 4.45Å; V377-L487 HydrophobicContact CB-CD2 4.13Å; V377-L487 HydrophobicContact CG1-CD2 3.96Å; K380-L487 HydrophobicContact CD-CD2 3.68Å; K380-L487 HydrophobicContact CD-CG 4.3Å; W383-L487 HydrophobicContact CB-CD2 4.32Å; I385-L487 HydrophobicContact CG2-CD1 4.25Å; L476-L487 HydrophobicContact CD1-CD1 3.72Å; L476-L487 HydrophobicContact CD1-CG 4.4Å; L476-L487 HydrophobicContact CG-CD1 3.96Å; L476-L487 HydrophobicContact CG-CG 4.3Å
488I94.8Very high65.8Low42 Ų4268.5 Ų68.522%0.21542%0.415CS..EExtended strand (participates in β ladder)trans-121.2118.8-176.2-52.2175.2000108.5R336 Q337 V375 E376 P486 C490R336-I488 CarbonylContact O-C 3.55Å; R336-I488 WeakPolarHBondContact O-CA 3.38Å; Q337-I488 HydrophobicContact CG-CB 4.41Å; Q337-I488 HydrophobicContact CG-CG1 4.02Å; Q337-I488 HydrophobicContact CG-CG2 4.08Å; V375-I488 CarbonylContact C-O 3.59Å; V375-I488 WeakPolarHBondContact CA-O 3.31Å; E376-I488 HydrophobicContact CB-CB 4.1Å; E376-I488 PolarHBondContact N-O 3.27Å; E376-I488 PolarHBondContact O-N 3.43Å; E376-I488 VanDerWaalsContact O-N 3.08Å; P486-I488 HydrophobicContact CB-CG1 4.31Å; P486-I488 HydrophobicContact CG-CD1 4.18Å; P486-I488 HydrophobicContact CG-CG1 3.99Å; I488-C490 PolarHBondContact O-N 3.17Å
489I95.7Very high63.6Low4 Ų467.1 Ų67.12%0.02142%0.421CS..EExtended strand (participates in β ladder)trans-75.7117.5167.5-53.7-178000107.2V318 L320 R336 F474V318-I489 HydrophobicContact CB-CG2 4.13Å; V318-I489 HydrophobicContact CG1-CD1 4Å; V318-I489 HydrophobicContact CG1-CG2 4.47Å; V318-I489 WeakPolarHBondContact O-CG2 3.19Å; L320-I489 HydrophobicContact CD2-CD1 3.8Å; L320-I489 HydrophobicContact CG-CD1 3.74Å; R336-I489 PolarHBondContact O-N 3.31Å; F474-I489 HydrophobicContact CE1-CD1 4.33Å; F474-I489 HydrophobicContact CE1-CG1 4.38Å; F474-I489 HydrophobicContact CE2-CD1 3.76Å; F474-I489 HydrophobicContact CZ-CD1 3.6Å; F474-I489 HydrophobicContact CZ-CG1 4.11Å
490C93.4Very high61.9Low18 Ų1867.8 Ų67.812%0.12244%0.435CS..PPolyproline II helixtrans-65.9138.2-178.1-62.10000109.8E374 I488E374-C490 HydrophobicContact CB-CB 4.02Å; E374-C490 PolarHBondContact O-N 3.41Å; I488-C490 PolarHBondContact O-N 3.17Å
491P86Confident61Low80 Ų8074.8 Ų74.852%0.51946%0.461SS..PPolyproline II helixtrans-60.2150.5168.928.5-32.8000110.3R336 S493R336-P491 VanDerWaalsContact NH1-CA 3.33Å; P491-S493 VanDerWaalsContact C-N 3.34Å; P491-S493 PolarHBondContact O-N 3.47Å
492M75.7Confident59.8Low101 Ų10177.8 Ų77.850%0.49847%0.468SS..  trans-59.7100171.9-170.6-170-65.300108.5S315 D317 G494S315-M492 WeakPolarHBondContact O-CE 3.31Å; D317-M492 HydrophobicContact CB-CE 4.11Å; D317-M492 VanDerWaalsContact N-CE 3.35Å; M492-G494 PolarHBondContact O-N 3.19Å
493S57.5Low58.9Low61 Ų6169.5 Ų69.543%0.42745%0.446SS..  trans-70.5111.6168.2-7.10000105.9P491 I495P491-S493 VanDerWaalsContact C-N 3.34Å; P491-S493 PolarHBondContact O-N 3.47Å; S493-I495 PolarHBondContact O-N 3.2Å
494G46.4Very low57.8Low60 Ų6075.9 Ų75.962%0.61948%0.478SS*.  trans-57.6110.7166.400000107M492 D496M492-G494 PolarHBondContact O-N 3.19Å; G494-D496 PolarHBondContact O-N 3.35Å
495I45.6Very low56.2Low93 Ų9381.5 Ų81.548%0.47750%0.495SS..  trans-8.397.8-176.8-56.5169.3000111.4L313 S493 G497 F498L313-I495 HydrophobicContact CD2-CD1 4.34Å; S493-I495 PolarHBondContact O-N 3.2Å; I495-G497 VanDerWaalsContact C-N 3.34Å; I495-G497 PolarHBondContact O-N 3.1Å; I495-F498 HydrophobicContact CG2-CD2 4.13Å; I495-F498 PolarHBondContact O-N 3.16Å
496D38.1Very low53.7Low147 Ų14782.6 Ų82.679%0.78651%0.511SS*.THydrogen-bonded Turntrans-56.4100.5174.9-78.5-35.1000107.6G494G494-D496 PolarHBondContact O-N 3.35Å
497G36.4Very low51.1Low54 Ų5489 Ų8956%0.55754%0.537SS*.THydrogen-bonded Turntrans138.5-21-170.300000115I495I495-G497 VanDerWaalsContact C-N 3.34Å; I495-G497 PolarHBondContact O-N 3.1Å
498F34.3Very low48.1Very low155 Ų15593.8 Ų93.868%0.6857%0.571SS**  trans-119.210.4176-85.9-77.5000114.5L171 I495 G500L171-F498 HydrophobicContact CD2-CE1 4.26Å; I495-F498 HydrophobicContact CG2-CD2 4.13Å; I495-F498 PolarHBondContact O-N 3.16Å; F498-G500 PolarHBondContact O-N 3.25Å
499S30.6Very low45.2Very low82 Ų82100.7 Ų100.757%0.57360%0.604SS**  trans-73.264.3162.168.80000110.1H501S499-H501 PolarHBondContact O-N 3.46Å
500G28.4Very low42.1Very low60 Ų60108.8 Ų108.862%0.61964%0.642SS**  trans-6378.8146.600000106.3F498 V502F498-G500 PolarHBondContact O-N 3.25Å; G500-V502 PolarHBondContact O-N 3.42Å
501H29.4Very low39.4Very low173 Ų173114.7 Ų114.780%0.80168%0.678SS**  trans-57.692156.5-93-56000104.8S499 G503S499-H501 PolarHBondContact O-N 3.46Å; H501-G503 PolarHBondContact O-N 2.95Å
502V33.9Very low36.7Very low116 Ų116116.3 Ų116.370%0.70369%0.691SS**  trans-5497.5155.6177.50000103.1G500 N504G500-V502 PolarHBondContact O-N 3.42Å; V502-N504 PolarHBondContact O-N 3Å
503G29.8Very low35.2Very low49 Ų49121 Ų12151%0.50573%0.729SS.*  trans-52.4107.4178.400000106.4H501 H505H501-G503 PolarHBondContact O-N 2.95Å; G503-H505 PolarHBondContact O-N 3.12Å
504N29.4Very low34.1Very low161 Ų161124.1 Ų124.186%0.86174%0.744SS**  trans-60.891.3150.3-106.2-7.3000103.6V502 G506V502-N504 PolarHBondContact O-N 3Å; N504-G506 PolarHBondContact O-N 3.04Å
505H32.4Very low33.5Very low169 Ų169127.4 Ų127.478%0.78275%0.751SS**  trans-56.195.1158.4-81.2-70.4000105.3G503 H507G503-H505 PolarHBondContact O-N 3.12Å; H505-H507 PolarHBondContact O-N 2.9Å
506G29Very low32.8Very low67 Ų67129.3 Ų129.369%0.69177%0.766SS**  trans-57.192.8157.800000106.1N504 S508N504-G506 PolarHBondContact O-N 3.04Å; G506-S508 PolarHBondContact O-N 2.97Å
507H32.9Very low32.5Very low174 Ų174128.3 Ų128.381%0.80677%0.765SS**  trans-66.493.2152.9-88.5-66.4000105.6H505 M509H505-H507 PolarHBondContact O-N 2.9Å; H507-M509 VanDerWaalsContact C-N 3.29Å; H507-M509 PolarHBondContact O-N 3Å
508S30.4Very low32.2Very low104 Ų104132.9 Ų132.973%0.72778%0.778SS**  trans-51100.1154.1-68.50000107.6G506G506-S508 PolarHBondContact O-N 2.97Å
509M33Very low32.1Very low187 Ų187131.5 Ų131.592%0.92179%0.785SS**  trans-98.683.5147.8-82-171.4174.100106.3H507H507-M509 VanDerWaalsContact C-N 3.29Å; H507-M509 PolarHBondContact O-N 3Å
510E31.1Very low32.2Very low173 Ų173135 Ų13581%0.80880%0.8SS**  trans-68.4116.8149.3-70.7178.9152.600107.3
511T37.3Very low32.5Very low142 Ų142140.8 Ų140.887%0.87181%0.814SS**  -173.7108.312026.20000108.1
512S28.3Very low32.7Very low115 Ų115138.1 Ų138.180%0.80482%0.815SS**  trans-70.5173.1159.7-53.10000110.7
513P45.6Very low32.6Very low200 Ų200140.1 Ų140.1100%1.29983%0.825SS**  cis-116.20-5.838.6-25.1000115.1

Retrieved 513 of 513 residues in 90.5 ms (Link to these results)