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alcohol dehydrogenase (NADP(+))

Catalyzes the NADPH-dependent reduction of a wide variety of carbonyl-containing compounds to their corresponding alcohols. Displays enzymatic activity towards endogenous metabolites such as aromatic and aliphatic aldehydes, ketones, monosaccharides and bile acids. Acts as an aldehyde-detoxification enzyme. Also acts as an inhibitor of protein S-nitrosylation by mediating degradation of S-nitroso-coenzyme A (S-nitroso-CoA), a cofactor required to S-nitrosylate proteins. Also acts as a S-nitroso-glutathione reductase by catalyzing the NADPH-dependent reduction of S-nitrosoglutathione. Displays no reductase activity towards retinoids.

AlphaFold DB , UniProt , Accession A0A087Y240, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 320 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 low72.1Confident238 Ų238121 Ų121100%1.17257%0.566SS**  097.80-82166.746.500106.4Q3M1-Q3 PolarHBondContact O-N 2.92Å
2E38.1Very low74.3Confident194 Ų194115.6 Ų115.691%0.90754%0.544SS*.  trans-59.5121171.1-79.4170.6160.800107.6Q4E2-Q4 PolarHBondContact O-N 3.46Å
3Q41.6Very low76.1Confident190 Ų190110.9 Ų110.989%0.88853%0.525SS*.  trans-62.2109.5167.1-74.2-179.90.900106.2M1 Q5M1-Q3 PolarHBondContact O-N 2.92Å; Q3-Q5 VanDerWaalsContact C-N 3.32Å; Q3-Q5 PolarHBondContact O-N 3.31Å
4Q51.4Low77.6Confident172 Ų172106.1 Ų106.180%0.80452%0.519SS*.  trans-65.997.8174.6-169.5166.915.900107E2 D6E2-Q4 PolarHBondContact O-N 3.46Å; Q4-D6 PolarHBondContact O-N 3.2Å
5Q63.2Low79Confident67 Ų67102.6 Ų102.631%0.31350%0.504SS..  trans-54.2127.3178.3-166.4173.31900108.6Q3 R7 R258Q3-Q5 VanDerWaalsContact C-N 3.32Å; Q3-Q5 PolarHBondContact O-N 3.31Å; Q5-R7 PolarHBondContact O-N 3.46Å; Q5-R7 VanDerWaalsContact O-N 3.16Å; Q5-R258 VanDerWaalsContact CD-NH2 3.33Å; Q5-R258 VanDerWaalsContact OE1-CZ 3.31Å
6D80Confident80.1Confident84 Ų84105.2 Ų105.245%0.44951%0.506SS..  trans-59.5123.9179.6-166.9-4.5000108.3Q4 H8 R16 L19Q4-D6 PolarHBondContact O-N 3.2Å; D6-H8 PolarHBondContact O-N 3.33Å; D6-H8 IonicContact OD1-CG 3.59Å; D6-H8 PolarHBondContact OD1-N 2.87Å; D6-H8 IonicContact OD1-ND1 3.67Å; D6-H8 PolarHBondContact OD1-ND1 3.24Å; D6-R16 IonicContact OD1-NH2 3.09Å; D6-R16 PolarHBondContact OD1-NH2 2.97Å; D6-R16 VanDerWaalsContact OD1-NH2 3.09Å; D6-R16 IonicContact OD2-NH2 3.48Å; D6-R16 PolarHBondContact OD2-NH2 3.01Å; D6-L19 WeakPolarHBondContact O-CD1 3.38Å
7R94.4Very high81.2Confident134 Ų13499 Ų9951%0.50648%0.476SS..SBendtrans-85.57.8179.9-61.4-175.1-177.3174.40.1111.9Q5 P18 L19 F284Q5-R7 PolarHBondContact O-N 3.46Å; Q5-R7 VanDerWaalsContact O-N 3.16Å; R7-P18 WeakPolarHBondContact O-CA 3.48Å; R7-L19 PolarHBondContact O-N 3Å; R7-F284 HydrophobicContact CB-CE1 4.39Å; R7-F284 HydrophobicContact CB-CZ 4.4Å; R7-F284 HydrophobicContact CG-CD1 4.11Å; R7-F284 HydrophobicContact CG-CD2 4.42Å; R7-F284 HydrophobicContact CG-CE1 4.17Å; R7-F284 HydrophobicContact CG-CE2 4.47Å; R7-F284 HydrophobicContact CG-CG 4.24Å; R7-F284 HydrophobicContact CG-CZ 4.35Å
8H97Very high82.2Confident67 Ų6794.2 Ų94.231%0.3146%0.455SS..EExtended strand (participates in β ladder)trans-129.6157.2-179.5-55.379.6000110.5D6 R16 M17D6-H8 PolarHBondContact O-N 3.33Å; D6-H8 IonicContact OD1-CG 3.59Å; D6-H8 PolarHBondContact OD1-N 2.87Å; D6-H8 IonicContact OD1-ND1 3.67Å; D6-H8 PolarHBondContact OD1-ND1 3.24Å; H8-R16 HydrophobicContact CB-CB 4.44Å; H8-M17 CarbonylContact C-O 3.55Å; H8-M17 WeakPolarHBondContact CA-O 3.38Å
9I97.2Very high83.1Confident26 Ų2689.6 Ų89.613%0.13343%0.433CS..EExtended strand (participates in β ladder)trans-109.6155.2161.861165.9000109.4L11 R16 M17 L19 A209 G264 P266I9-L11 HydrophobicContact CD1-CD2 3.97Å; I9-L11 HydrophobicContact CG1-CD2 4.36Å; I9-R16 WeakPolarHBondContact O-CA 3.29Å; I9-M17 HydrophobicContact CG1-CB 3.96Å; I9-M17 PolarHBondContact N-O 3.09Å; I9-M17 PolarHBondContact O-N 3.38Å; I9-L19 HydrophobicContact CG2-CD2 3.59Å; I9-L19 HydrophobicContact CG2-CG 4.13Å; I9-A209 HydrophobicContact CD1-CB 3.43Å; I9-A209 VanDerWaalsContact CD1-CB 3.43Å; I9-G264 WeakPolarHBondContact CG2-O 3.32Å; I9-P266 HydrophobicContact CD1-CG 3.48Å; I9-P266 VanDerWaalsContact CD1-CG 3.48Å; I9-P266 HydrophobicContact CG1-CG 3.97Å
10Q97.8Very high83.8Confident152 Ų15285.8 Ų85.871%0.7141%0.414SS*.EExtended strand (participates in β ladder)trans-91.2129.5167.6-171.8170.323.400109.1
11L98.6Very high84.5Confident7 Ų781.7 Ų81.74%0.03740%0.395CS..  trans-83.5161.2173.5-59.8-176.6000110.3I9 D13 G14 N15 M17 F79 A184 V185 A209I9-L11 HydrophobicContact CD1-CD2 3.97Å; I9-L11 HydrophobicContact CG1-CD2 4.36Å; L11-D13 VanDerWaalsContact CB-OD1 3.29Å; L11-D13 WeakPolarHBondContact CB-OD1 3.29Å; L11-D13 PolarHBondContact O-N 3.37Å; L11-D13 VanDerWaalsContact O-N 3.16Å; L11-G14 PolarHBondContact O-N 3.4Å; L11-N15 HydrophobicContact CD1-CB 4.28Å; L11-N15 PolarHBondContact N-O 2.79Å; L11-M17 HydrophobicContact CD1-CB 4.23Å; L11-M17 HydrophobicContact CD2-CB 4.12Å; L11-M17 HydrophobicContact CD2-SD 4.25Å; L11-M17 HydrophobicContact CG-CB 4.18Å; L11-F79 HydrophobicContact CD1-CE2 4.33Å; L11-F79 HydrophobicContact CD1-CZ 4.13Å; L11-A184 HydrophobicContact CB-CB 4.28Å; L11-A184 HydrophobicContact CD1-CB 4.2Å; L11-V185 HydrophobicContact CD1-CG2 4.34Å; L11-V185 HydrophobicContact CD2-CG2 3.83Å; L11-A209 HydrophobicContact CD2-CB 3.72Å
12N98.3Very high87.6Confident56 Ų5670.4 Ų70.430%0.29934%0.339SS..THydrogen-bonded Turntrans-67.7-11.5-178.458.923.4000114.8P183 A184 N207N12-P183 PolarHBondContact ND2-O 2.83Å; N12-A184 WeakPolarHBondContact OD1-CA 3.44Å; N12-N207 HydrophobicContact CB-CB 4.19Å; N12-N207 VanDerWaalsContact CB-O 3.29Å; N12-N207 WeakPolarHBondContact CB-O 3.48Å; N12-N207 PolarHBondContact ND2-O 3.3Å
13D97.8Very high90.5Very high55 Ų5561.4 Ų61.429%0.29430%0.298SS..THydrogen-bonded Turntrans-95.34.6173.265.23.3000112.9L11 N15 S161L11-D13 VanDerWaalsContact CB-OD1 3.29Å; L11-D13 WeakPolarHBondContact CB-OD1 3.29Å; L11-D13 PolarHBondContact O-N 3.37Å; L11-D13 VanDerWaalsContact O-N 3.16Å; D13-N15 VanDerWaalsContact C-N 3.34Å; D13-N15 WeakPolarHBondContact OD1-CB 3.31Å; D13-N15 PolarHBondContact OD1-N 3.33Å; D13-N15 PolarHBondContact OD1-ND2 3.35Å; D13-N15 PolarHBondContact OD2-ND2 3.39Å; D13-S161 WeakPolarHBondContact OD2-CA 3.37Å; D13-S161 WeakPolarHBondContact OD2-CB 3.43Å; D13-S161 PolarHBondContact OD2-OG 3.45Å
14G97.4Very high93.1Very high43 Ų4352.4 Ų52.444%0.44326%0.256SS..SBendtrans87.7-8.7178.600000114.9L11L11-G14 PolarHBondContact O-N 3.4Å
15N98Very high95Very high54 Ų5448.4 Ų48.429%0.28923%0.234SC..  trans-68.8160.5174.9-67.4-52.2000111.4L11 D13 S161L11-N15 HydrophobicContact CD1-CB 4.28Å; L11-N15 PolarHBondContact N-O 2.79Å; D13-N15 VanDerWaalsContact C-N 3.34Å; D13-N15 WeakPolarHBondContact OD1-CB 3.31Å; D13-N15 PolarHBondContact OD1-N 3.33Å; D13-N15 PolarHBondContact OD1-ND2 3.35Å; D13-N15 PolarHBondContact OD2-ND2 3.39Å; N15-S161 PolarHBondContact ND2-OG 3.48Å; N15-S161 VanDerWaalsContact ND2-OG 3.1Å
16R97.6Very high95.8Very high144 Ų14447.5 Ų47.554%0.54323%0.229SC..EExtended strand (participates in β ladder)trans-112.8132.9176.7-65-177.173.3174.24.5110.7D6 H8 I9 F79D6-R16 IonicContact OD1-NH2 3.09Å; D6-R16 PolarHBondContact OD1-NH2 2.97Å; D6-R16 VanDerWaalsContact OD1-NH2 3.09Å; D6-R16 IonicContact OD2-NH2 3.48Å; D6-R16 PolarHBondContact OD2-NH2 3.01Å; H8-R16 HydrophobicContact CB-CB 4.44Å; I9-R16 WeakPolarHBondContact O-CA 3.29Å; R16-F79 WeakPolarHBondContact O-CD2 3.34Å
17M98.6Very high95.6Very high0 Ų048.8 Ų48.80%024%0.242CC..EExtended strand (participates in β ladder)trans-119.1127.3-178.9-179.7176-177.800110.5H8 I9 L11 H47 F79 L112 V185 T211 P266H8-M17 CarbonylContact C-O 3.55Å; H8-M17 WeakPolarHBondContact CA-O 3.38Å; I9-M17 HydrophobicContact CG1-CB 3.96Å; I9-M17 PolarHBondContact N-O 3.09Å; I9-M17 PolarHBondContact O-N 3.38Å; L11-M17 HydrophobicContact CD1-CB 4.23Å; L11-M17 HydrophobicContact CD2-CB 4.12Å; L11-M17 HydrophobicContact CD2-SD 4.25Å; L11-M17 HydrophobicContact CG-CB 4.18Å; M17-H47 WeakPolarHBondContact CE-CE1 3.49Å; M17-F79 HydrophobicContact CB-CD2 4.31Å; M17-F79 HydrophobicContact CB-CE1 4.32Å; M17-F79 HydrophobicContact CB-CE2 3.84Å; M17-F79 HydrophobicContact CB-CZ 3.85Å; M17-F79 HydrophobicContact CE-CE1 3.99Å; M17-F79 HydrophobicContact CG-CD1 4.06Å; M17-F79 HydrophobicContact CG-CD2 4.44Å; M17-F79 HydrophobicContact CG-CE1 3.67Å; M17-F79 HydrophobicContact CG-CE2 4.1Å; M17-F79 HydrophobicContact CG-CG 4.42Å; M17-F79 HydrophobicContact CG-CZ 3.7Å; M17-F79 HydrophobicContact SD-CE1 3.91Å; M17-F79 HydrophobicContact SD-CZ 3.97Å; M17-L112 HydrophobicContact CE-CD2 4.36Å; M17-L112 HydrophobicContact SD-CD2 4.5Å; M17-V185 HydrophobicContact SD-CG2 3.97Å; M17-T211 HydrophobicContact CE-CG2 4.33Å; M17-T211 VanDerWaalsContact CE-OG1 3.29Å; M17-T211 WeakPolarHBondContact CE-OG1 2.94Å; M17-P266 HydrophobicContact CE-CB 4.1Å; M17-P266 HydrophobicContact CE-CG 4.37Å; M17-P266 HydrophobicContact CG-CG 4.49Å; M17-P266 HydrophobicContact SD-CG 4.22Å
18P98.6Very high94.5Very high13 Ų1343.5 Ų43.58%0.08422%0.222CC..EExtended strand (participates in β ladder)trans-64.1136.8175.4-2132000112.6R7 L20 R46 H47 F79R7-P18 WeakPolarHBondContact O-CA 3.48Å; P18-L20 PolarHBondContact O-N 3Å; P18-R46 HydrophobicContact CG-CB 4.35Å; P18-H47 HydrophobicContact CB-CB 3.78Å; P18-H47 HydrophobicContact CG-CB 3.82Å; P18-H47 PolarHBondContact O-ND1 3.35Å; P18-F79 HydrophobicContact CG-CB 4.11Å
19L98.5Very high93.3Very high7 Ų749.2 Ų49.24%0.03725%0.249CC..SBendtrans-65.6-21.4178.8-81171.1000113.6D6 R7 I9 V261 P266 V267 F284D6-L19 WeakPolarHBondContact O-CD1 3.38Å; R7-L19 PolarHBondContact O-N 3Å; I9-L19 HydrophobicContact CG2-CD2 3.59Å; I9-L19 HydrophobicContact CG2-CG 4.13Å; L19-V261 HydrophobicContact CB-CB 4.46Å; L19-V261 HydrophobicContact CB-CG1 4.26Å; L19-P266 HydrophobicContact CD2-CG 4.14Å; L19-P266 CarbonylContact O-C 3.59Å; L19-P266 WeakPolarHBondContact O-CA 3.35Å; L19-V267 PolarHBondContact O-N 2.72Å; L19-F284 HydrophobicContact CB-CE1 4.07Å; L19-F284 HydrophobicContact CB-CZ 4.12Å; L19-F284 HydrophobicContact CD1-CE1 4.21Å
20L98.6Very high91.8Very high13 Ų1353.6 Ų53.67%0.06827%0.269CS..BIsolated β-bridgetrans-123.7118.5179.5177.865.6000109.7P18 Y45 V267 P269 N280 V283 F284P18-L20 PolarHBondContact O-N 3Å; L20-Y45 HydrophobicContact CD1-CE1 3.83Å; L20-Y45 HydrophobicContact CD2-CD1 4.44Å; L20-Y45 HydrophobicContact CD2-CE1 3.78Å; L20-Y45 HydrophobicContact CD2-CE2 4.15Å; L20-Y45 HydrophobicContact CG-CD1 4.05Å; L20-Y45 HydrophobicContact CG-CE1 3.45Å; L20-Y45 VanDerWaalsContact CG-CE1 3.45Å; L20-V267 HydrophobicContact CD1-CG2 3.78Å; L20-P269 HydrophobicContact CD1-CG 3.9Å; L20-N280 WeakPolarHBondContact CD2-O 3.14Å; L20-V283 HydrophobicContact CD2-CG2 4.12Å; L20-F284 HydrophobicContact CB-CE2 4Å; L20-F284 HydrophobicContact CB-CZ 3.84Å; L20-F284 HydrophobicContact CD2-CE2 4.08Å
21G98.6Very high90.8Very high0 Ų047.4 Ų47.40%024%0.244CC..EExtended strand (participates in β ladder)trans-120.8167.1172.200000113.3Y45 H47 V267 I268 P269G21-Y45 WeakPolarHBondContact O-CE1 3.44Å; G21-H47 CarbonylContact C-O 3.5Å; G21-H47 WeakPolarHBondContact CA-O 3.47Å; G21-V267 PolarHBondContact N-O 3.21Å; G21-I268 WeakPolarHBondContact O-CA 3.48Å; G21-P269 VanDerWaalsContact O-CD 3.31Å; G21-P269 WeakPolarHBondContact O-CD 3.49Å
22L98.6Very high90.4Very high1 Ų151.4 Ų51.41%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-97.1119.9172.1-17974.4000109.3T24 V37 A40 Y45 H47 I48 D49 I277L22-T24 HydrophobicContact CD2-CG2 4.4Å; L22-V37 HydrophobicContact CD2-CG2 4.03Å; L22-A40 HydrophobicContact CB-CB 4.22Å; L22-A40 HydrophobicContact CD1-CB 4.36Å; L22-A40 HydrophobicContact CD2-CB 3.78Å; L22-A40 HydrophobicContact CG-CB 4.34Å; L22-Y45 HydrophobicContact CB-CD1 4.18Å; L22-Y45 HydrophobicContact CB-CE1 4.47Å; L22-H47 PolarHBondContact N-O 2.96Å; L22-I48 HydrophobicContact CB-CD1 3.94Å; L22-I48 HydrophobicContact CD2-CD1 4.31Å; L22-D49 PolarHBondContact O-N 2.85Å; L22-I277 HydrophobicContact CD1-CG1 4.47Å
23G98.1Very high90.1Very high5 Ų549.4 Ų49.45%0.05226%0.26CS..EExtended strand (participates in β ladder)trans-79.5135.8169.500000111.7P269 K270G23-P269 PolarHBondContact N-O 2.81Å; G23-K270 WeakPolarHBondContact O-CA 3.48Å; G23-K270 VanDerWaalsContact O-CB 3.31Å; G23-K270 WeakPolarHBondContact O-CB 3.42Å; G23-K270 WeakPolarHBondContact O-CG 3.34Å
24T96.9Very high89.9Confident0 Ų049.4 Ų49.40%026%0.258CS..  trans-115.516.1-175.367.50000114.5L22 K26 I33 I48 D49 T50 N56 I60L22-T24 HydrophobicContact CD2-CG2 4.4Å; T24-K26 PolarHBondContact O-N 3.06Å; T24-I33 HydrophobicContact CG2-CD1 4.1Å; T24-I48 HydrophobicContact CG2-CG2 4.04Å; T24-D49 PolarHBondContact N-O 2.94Å; T24-D49 PolarHBondContact OG1-O 3.16Å; T24-T50 VanDerWaalsContact OG1-CA 3.31Å; T24-T50 WeakPolarHBondContact OG1-CA 3.43Å; T24-T50 WeakPolarHBondContact OG1-CB 3.47Å; T24-T50 PolarHBondContact OG1-OG1 3.46Å; T24-N56 PolarHBondContact O-ND2 3.24Å; T24-I60 HydrophobicContact CG2-CD1 3.82Å; T24-I60 HydrophobicContact CG2-CG1 4.49Å
25W92.1Very high89.8Confident89 Ų8949.5 Ų49.534%0.33725%0.254SS..  trans-61.5135179.3-178.462.1000112.4Y54 M225W25-Y54 HydrophobicContact CB-CD2 4.32Å; W25-Y54 HydrophobicContact CB-CE1 4.36Å; W25-Y54 HydrophobicContact CB-CE2 3.98Å; W25-Y54 AromaticContact CD1-CD1 3.55Å; W25-Y54 AromaticContact CD1-CE1 3.39Å; W25-Y54 AromaticContact CD1-CZ 3.92Å; W25-Y54 HydrophobicContact CG-CD1 4.5Å; W25-Y54 HydrophobicContact CG-CE1 4.21Å; W25-M225 HydrophobicContact CH2-CE 3.78Å; W25-M225 HydrophobicContact CH2-SD 3.66Å; W25-M225 HydrophobicContact CZ2-CE 4.14Å; W25-M225 HydrophobicContact CZ2-SD 4.03Å
26K79.2Confident89.8Confident48 Ų4846.9 Ų46.921%0.20924%0.241CC..SBendtrans68.8158.7-178-74.8175.2169.81690116T24 F28 G220T24-K26 PolarHBondContact O-N 3.06Å; K26-F28 PolarHBondContact O-N 3.16Å; K26-G220 PolarHBondContact NZ-O 2.85Å
27P74.9Confident89.8Confident111 Ų11140 Ų4072%0.72122%0.215SC*.  trans-52.8140.8163.2-23.634.2000110.7
28F72.3Confident89.7Confident22 Ų2242 Ų4210%0.09622%0.224CC..  trans-86.3135.4174.1-73-4.6000109K26 A31 I33 A36 K270 D272K26-F28 PolarHBondContact O-N 3.16Å; F28-A31 WeakPolarHBondContact CB-O 3.36Å; F28-I33 HydrophobicContact CD1-CD1 4.06Å; F28-I33 HydrophobicContact CD2-CB 4.16Å; F28-I33 HydrophobicContact CD2-CD1 3.64Å; F28-I33 HydrophobicContact CD2-CG1 4.33Å; F28-I33 HydrophobicContact CE1-CD1 3.69Å; F28-I33 HydrophobicContact CE2-CB 4.39Å; F28-I33 HydrophobicContact CE2-CD1 3.21Å; F28-I33 HydrophobicContact CE2-CG1 4.07Å; F28-I33 HydrophobicContact CG-CD1 4.07Å; F28-I33 HydrophobicContact CZ-CD1 3.27Å; F28-A36 HydrophobicContact CD2-CB 3.57Å; F28-A36 HydrophobicContact CE2-CB 3.33Å; F28-K270 HydrophobicContact CD1-CD 4.46Å; F28-K270 HydrophobicContact CD1-CG 4.45Å; F28-K270 HydrophobicContact CE1-CD 3.92Å; F28-K270 HydrophobicContact CE1-CG 3.47Å; F28-K270 VanDerWaalsContact CE1-CG 3.47Å; F28-K270 HydrophobicContact CZ-CG 3.93Å; F28-D272 HydrophobicContact CB-CB 3.53Å; F28-D272 HydrophobicContact CD1-CB 4.2Å; F28-D272 HydrophobicContact CD2-CB 3.46Å; F28-D272 VanDerWaalsContact CD2-CB 3.46Å; F28-D272 HydrophobicContact CE2-CB 4.16Å; F28-D272 HydrophobicContact CG-CB 3.47Å; F28-D272 VanDerWaalsContact CG-CB 3.47Å
29E71.6Confident89.7Confident187 Ų18742.4 Ų42.487%0.87423%0.228SC*.SBendtrans-85.5-32.1-173.1-66.9177.2-17500111.1D272E29-D272 PolarHBondContact N-OD2 3.15Å
30Q66.8Low89.7Confident118 Ų11842.1 Ų42.155%0.55123%0.227SC*.SBendtrans-101.2-24.5-170.4-52.7-154.9-6.600113.8D272 K273Q30-D272 PolarHBondContact N-OD2 2.97Å; Q30-K273 VanDerWaalsContact NE2-CE 3.33Å; Q30-K273 VanDerWaalsContact NE2-NZ 3.17Å
31A76.4Confident89.6Confident22 Ų2241.7 Ų41.718%0.18223%0.225CC..SBendtrans-150.2152.4179.200000110.2F28 A35 D272F28-A31 WeakPolarHBondContact CB-O 3.36Å; A31-A35 HydrophobicContact CB-CB 4.47Å; A31-D272 WeakPolarHBondContact CB-O 3.41Å
32P89.4Confident89.6Confident92 Ų9245.9 Ų45.960%0.59726%0.259SS*.  trans-57145.7169.8-22.633.6000111.2Q34 A35 A36P32-Q34 PolarHBondContact O-N 2.94Å; P32-Q34 VanDerWaalsContact O-N 3.15Å; P32-A35 PolarHBondContact O-N 3.09Å; P32-A36 PolarHBondContact O-N 2.99Å
33I92.1Very high89.5Confident13 Ų1346.8 Ų46.87%0.06727%0.266CS..Hα-helixtrans-53.2-37.3176.6-169.191.4000111.7T24 F28 A35 A36 V37 N56 E59 I60T24-I33 HydrophobicContact CG2-CD1 4.1Å; F28-I33 HydrophobicContact CD1-CD1 4.06Å; F28-I33 HydrophobicContact CD2-CB 4.16Å; F28-I33 HydrophobicContact CD2-CD1 3.64Å; F28-I33 HydrophobicContact CD2-CG1 4.33Å; F28-I33 HydrophobicContact CE1-CD1 3.69Å; F28-I33 HydrophobicContact CE2-CB 4.39Å; F28-I33 HydrophobicContact CE2-CD1 3.21Å; F28-I33 HydrophobicContact CE2-CG1 4.07Å; F28-I33 HydrophobicContact CG-CD1 4.07Å; F28-I33 HydrophobicContact CZ-CD1 3.27Å; I33-A35 PolarHBondContact O-N 3.1Å; I33-A36 PolarHBondContact O-N 2.92Å; I33-V37 HydrophobicContact CG1-CG2 4.48Å; I33-V37 WeakPolarHBondContact O-CG2 3.14Å; I33-V37 PolarHBondContact O-N 2.95Å; I33-N56 HydrophobicContact CG2-CB 4.41Å; I33-E59 HydrophobicContact CG2-CB 3.1Å; I33-E59 HydrophobicContact CG2-CG 3.87Å; I33-I60 HydrophobicContact CG1-CD1 4.36Å; I33-I60 HydrophobicContact CG1-CG1 3.87Å
34Q94.6Very high89.5Confident55 Ų5549 Ų4926%0.25729%0.289SS..Hα-helixtrans-54.8-52.5175.6-172-174.9-25.800111.1P32 A36 V37 E38 K62 A63P32-Q34 PolarHBondContact O-N 2.94Å; P32-Q34 VanDerWaalsContact O-N 3.15Å; Q34-A36 VanDerWaalsContact C-N 3.3Å; Q34-A36 PolarHBondContact O-N 3.18Å; Q34-V37 PolarHBondContact O-N 2.95Å; Q34-E38 PolarHBondContact NE2-OE1 3.27Å; Q34-E38 WeakPolarHBondContact O-CG 3.43Å; Q34-E38 PolarHBondContact O-N 3.4Å; Q34-K62 HydrophobicContact CG-CB 4.46Å; Q34-A63 HydrophobicContact CB-CB 4.49Å; Q34-A63 HydrophobicContact CG-CB 3.72Å
35A95.3Very high89.6Confident45 Ų4549.2 Ų49.237%0.37229%0.29SS..Hα-helixtrans-62.8-36.1-177.500000112.7A31 P32 I33 E38 A39A31-A35 HydrophobicContact CB-CB 4.47Å; P32-A35 PolarHBondContact O-N 3.09Å; I33-A35 PolarHBondContact O-N 3.1Å; A35-E38 PolarHBondContact O-N 3.1Å; A35-A39 WeakPolarHBondContact O-CB 3.34Å; A35-A39 PolarHBondContact O-N 3.37Å
36A96.4Very high89.9Confident0 Ų048.5 Ų48.50%029%0.287CS..Hα-helixtrans-70.4-39.8176.900000112.6F28 P32 I33 Q34 E38 A39 A40 I277F28-A36 HydrophobicContact CD2-CB 3.57Å; F28-A36 HydrophobicContact CE2-CB 3.33Å; P32-A36 PolarHBondContact O-N 2.99Å; I33-A36 PolarHBondContact O-N 2.92Å; Q34-A36 VanDerWaalsContact C-N 3.3Å; Q34-A36 PolarHBondContact O-N 3.18Å; A36-E38 VanDerWaalsContact C-N 3.35Å; A36-A39 PolarHBondContact O-N 3.49Å; A36-A40 WeakPolarHBondContact O-CB 3.38Å; A36-A40 PolarHBondContact O-N 3.05Å; A36-I277 HydrophobicContact CB-CD1 4.12Å
37V97.6Very high90.8Very high0 Ų046.2 Ų46.20%028%0.277CS..Hα-helixtrans-62.7-44172.6173.50000110.5L22 I33 Q34 A39 A40 I41 I48 I60 A63 L64L22-V37 HydrophobicContact CD2-CG2 4.03Å; I33-V37 HydrophobicContact CG1-CG2 4.48Å; I33-V37 WeakPolarHBondContact O-CG2 3.14Å; I33-V37 PolarHBondContact O-N 2.95Å; Q34-V37 PolarHBondContact O-N 2.95Å; V37-A39 PolarHBondContact O-N 3.17Å; V37-A40 PolarHBondContact O-N 2.92Å; V37-I41 HydrophobicContact CG1-CD1 4.01Å; V37-I41 WeakPolarHBondContact O-CG1 3.28Å; V37-I41 PolarHBondContact O-N 3.06Å; V37-I48 HydrophobicContact CG1-CD1 4.27Å; V37-I60 HydrophobicContact CG2-CG1 4.14Å; V37-I60 HydrophobicContact CG2-CG2 4.35Å; V37-A63 HydrophobicContact CB-CB 3.75Å; V37-A63 HydrophobicContact CG1-CB 3.59Å; V37-L64 HydrophobicContact CG1-CD2 4.23Å
38E97.5Very high91.9Very high42 Ų4241 Ų4120%0.19624%0.243CC..Hα-helixtrans-61.7-41.8176-68.4-169.6-163.700112.4Q34 A35 A36 A40 I41 A42 A63 K67Q34-E38 PolarHBondContact NE2-OE1 3.27Å; Q34-E38 WeakPolarHBondContact O-CG 3.43Å; Q34-E38 PolarHBondContact O-N 3.4Å; A35-E38 PolarHBondContact O-N 3.1Å; A36-E38 VanDerWaalsContact C-N 3.35Å; E38-A40 VanDerWaalsContact C-N 3.34Å; E38-I41 PolarHBondContact O-N 3.11Å; E38-A42 WeakPolarHBondContact O-CB 3.43Å; E38-A42 PolarHBondContact O-N 2.72Å; E38-A63 HydrophobicContact CG-CB 3.88Å; E38-K67 VanDerWaalsContact CB-CE 3.47Å; E38-K67 HydrophobicContact CG-CD 4.44Å; E38-K67 HydrophobicContact CG-CG 4.29Å; E38-K67 WeakPolarHBondContact OE2-CE 3.21Å; E38-K67 IonicContact OE2-NZ 3.51Å; E38-K67 PolarHBondContact OE2-NZ 3.03Å
39A97.6Very high93.2Very high21 Ų2140.1 Ų40.117%0.17424%0.24CC..Hα-helixtrans-64.1-38.2174.900000112.1A35 A36 V37 A42 A43 P274 I277A35-A39 WeakPolarHBondContact O-CB 3.34Å; A35-A39 PolarHBondContact O-N 3.37Å; A36-A39 PolarHBondContact O-N 3.49Å; V37-A39 PolarHBondContact O-N 3.17Å; A39-A42 PolarHBondContact O-N 2.8Å; A39-A43 WeakPolarHBondContact O-CB 3.32Å; A39-A43 PolarHBondContact O-N 2.84Å; A39-P274 HydrophobicContact CB-CB 4.2Å; A39-P274 HydrophobicContact CB-CG 4.33Å; A39-I277 HydrophobicContact CB-CD1 4.02Å
40A98.2Very high94.5Very high0 Ų031.2 Ų31.20%020%0.198CC..Hα-helixtrans-65.3-45.4175.500000111.6L22 A36 V37 E38 A42 A43 G44 Y45 I277L22-A40 HydrophobicContact CB-CB 4.22Å; L22-A40 HydrophobicContact CD1-CB 4.36Å; L22-A40 HydrophobicContact CD2-CB 3.78Å; L22-A40 HydrophobicContact CG-CB 4.34Å; A36-A40 WeakPolarHBondContact O-CB 3.38Å; A36-A40 PolarHBondContact O-N 3.05Å; V37-A40 PolarHBondContact O-N 2.92Å; E38-A40 VanDerWaalsContact C-N 3.34Å; A40-A42 VanDerWaalsContact C-N 3.29Å; A40-A42 PolarHBondContact O-N 2.77Å; A40-A43 CarbonylContact O-C 3.56Å; A40-A43 PolarHBondContact O-N 3.25Å; A40-A43 VanDerWaalsContact O-N 3.09Å; A40-G44 PolarHBondContact O-N 2.61Å; A40-G44 VanDerWaalsContact O-N 3.13Å; A40-Y45 HydrophobicContact CB-CD1 4.45Å; A40-Y45 HydrophobicContact CB-CD2 3.97Å; A40-Y45 HydrophobicContact CB-CG 3.87Å; A40-Y45 VanDerWaalsContact O-CB 3.31Å; A40-Y45 WeakPolarHBondContact O-CB 3.45Å; A40-Y45 VanDerWaalsContact O-CD2 3.3Å; A40-Y45 WeakPolarHBondContact O-CD2 3.33Å; A40-Y45 PolarHBondContact O-N 2.96Å; A40-I277 VanDerWaalsContact CA-CG2 3.49Å; A40-I277 HydrophobicContact CB-CG2 3.83Å
41I98.2Very high96Very high5 Ų525.6 Ų25.63%0.02617%0.172CC..Hα-helixtrans-57.6-44.8175.2-69.5164.8000110.6V37 E38 A43 G44 R46 L64 K67 V72 I73V37-I41 HydrophobicContact CG1-CD1 4.01Å; V37-I41 WeakPolarHBondContact O-CG1 3.28Å; V37-I41 PolarHBondContact O-N 3.06Å; E38-I41 PolarHBondContact O-N 3.11Å; I41-A43 VanDerWaalsContact C-N 3.33Å; I41-A43 PolarHBondContact O-N 3.16Å; I41-G44 PolarHBondContact O-N 3.32Å; I41-G44 VanDerWaalsContact O-N 3.08Å; I41-R46 PolarHBondContact O-NH1 3.08Å; I41-R46 VanDerWaalsContact O-NH1 3.16Å; I41-L64 HydrophobicContact CD1-CD2 4.23Å; I41-K67 HydrophobicContact CD1-CB 4.19Å; I41-K67 HydrophobicContact CD1-CG 3.9Å; I41-K67 HydrophobicContact CG2-CG 4.38Å; I41-V72 HydrophobicContact CG2-CG1 4Å; I41-I73 HydrophobicContact CD1-CD1 3.93Å; I41-I73 HydrophobicContact CG2-CG1 4.5Å; I41-I73 HydrophobicContact CG2-CG2 3.64Å
42A97.6Very high97.1Very high88 Ų8825.1 Ų25.173%0.72717%0.165SC*.Hα-helixtrans-64.4-34.5176.500000112.9E38 A39 A40 G44E38-A42 WeakPolarHBondContact O-CB 3.43Å; E38-A42 PolarHBondContact O-N 2.72Å; A39-A42 PolarHBondContact O-N 2.8Å; A40-A42 VanDerWaalsContact C-N 3.29Å; A40-A42 PolarHBondContact O-N 2.77Å; A42-G44 PolarHBondContact O-N 2.97Å
43A97.7Very high97.4Very high19 Ų1921.5 Ų21.516%0.15714%0.142CC..THydrogen-bonded Turntrans-75.8-2.5174.100000113.7A39 A40 I41 Y45 I277 L278A39-A43 WeakPolarHBondContact O-CB 3.32Å; A39-A43 PolarHBondContact O-N 2.84Å; A40-A43 CarbonylContact O-C 3.56Å; A40-A43 PolarHBondContact O-N 3.25Å; A40-A43 VanDerWaalsContact O-N 3.09Å; I41-A43 VanDerWaalsContact C-N 3.33Å; I41-A43 PolarHBondContact O-N 3.16Å; A43-Y45 HydrophobicContact CB-CD2 4.07Å; A43-Y45 HydrophobicContact CB-CE2 4.21Å; A43-I277 HydrophobicContact CB-CG2 4.13Å; A43-L278 HydrophobicContact CB-CD1 4.13Å
44G97.2Very high97.6Very high51 Ų5122.4 Ų22.453%0.52615%0.145SC..THydrogen-bonded Turntrans96.37.9176.600000115A40 I41 A42A40-G44 PolarHBondContact O-N 2.61Å; A40-G44 VanDerWaalsContact O-N 3.13Å; I41-G44 PolarHBondContact O-N 3.32Å; I41-G44 VanDerWaalsContact O-N 3.08Å; A42-G44 PolarHBondContact O-N 2.97Å
45Y98.5Very high97.7Very high5 Ų526.4 Ų26.42%0.0216%0.158CC..  trans-64.7141.4172.5-72.9-114000110.2L20 G21 L22 A40 A43 I277 N280L20-Y45 HydrophobicContact CD1-CE1 3.83Å; L20-Y45 HydrophobicContact CD2-CD1 4.44Å; L20-Y45 HydrophobicContact CD2-CE1 3.78Å; L20-Y45 HydrophobicContact CD2-CE2 4.15Å; L20-Y45 HydrophobicContact CG-CD1 4.05Å; L20-Y45 HydrophobicContact CG-CE1 3.45Å; L20-Y45 VanDerWaalsContact CG-CE1 3.45Å; G21-Y45 WeakPolarHBondContact O-CE1 3.44Å; L22-Y45 HydrophobicContact CB-CD1 4.18Å; L22-Y45 HydrophobicContact CB-CE1 4.47Å; A40-Y45 HydrophobicContact CB-CD1 4.45Å; A40-Y45 HydrophobicContact CB-CD2 3.97Å; A40-Y45 HydrophobicContact CB-CG 3.87Å; A40-Y45 VanDerWaalsContact O-CB 3.31Å; A40-Y45 WeakPolarHBondContact O-CB 3.45Å; A40-Y45 VanDerWaalsContact O-CD2 3.3Å; A40-Y45 WeakPolarHBondContact O-CD2 3.33Å; A40-Y45 PolarHBondContact O-N 2.96Å; A43-Y45 HydrophobicContact CB-CD2 4.07Å; A43-Y45 HydrophobicContact CB-CE2 4.21Å; Y45-I277 HydrophobicContact CD2-CG2 4.3Å; Y45-I277 HydrophobicContact CE2-CG2 3.84Å; Y45-I277 WeakPolarHBondContact CE2-O 3.27Å; Y45-I277 PolarHBondContact OH-O 3.45Å; Y45-N280 WeakPolarHBondContact OH-CB 3.21Å
46R98.3Very high97.7Very high75 Ų7525 Ų2528%0.28314%0.144SC..  trans-127.6-6.2172.9-68.1-58.6178.8-94.75.3113.4P18 I41 D77 L78 F79P18-R46 HydrophobicContact CG-CB 4.35Å; I41-R46 PolarHBondContact O-NH1 3.08Å; I41-R46 VanDerWaalsContact O-NH1 3.16Å; R46-D77 VanDerWaalsContact CB-O 3.32Å; R46-D77 WeakPolarHBondContact CB-O 3.26Å; R46-D77 VanDerWaalsContact CD-O 3.28Å; R46-D77 WeakPolarHBondContact CD-O 3.38Å; R46-D77 WeakPolarHBondContact CG-O 3.27Å; R46-L78 CarbonylContact O-C 3.49Å; R46-L78 WeakPolarHBondContact O-CA 3.37Å; R46-F79 PolarHBondContact O-N 3.44Å
47H98.8Very high97.8Very high0 Ų025.1 Ų25.10%015%0.145CC..EExtended strand (participates in β ladder)trans-109.2124.2176170.5-166.3000109.5M17 P18 G21 L22 F79 V81 I268M17-H47 WeakPolarHBondContact CE-CE1 3.49Å; P18-H47 HydrophobicContact CB-CB 3.78Å; P18-H47 HydrophobicContact CG-CB 3.82Å; P18-H47 PolarHBondContact O-ND1 3.35Å; G21-H47 CarbonylContact C-O 3.5Å; G21-H47 WeakPolarHBondContact CA-O 3.47Å; L22-H47 PolarHBondContact N-O 2.96Å; H47-F79 CarbonylContact C-O 3.58Å; H47-F79 VanDerWaalsContact CA-O 3.26Å; H47-F79 WeakPolarHBondContact CA-O 3.46Å; H47-F79 HydrophobicContact CB-CB 4.27Å; H47-F79 AromaticContact CD2-CD1 3.87Å; H47-V81 WeakPolarHBondContact NE2-CG2 3.45Å; H47-I268 VanDerWaalsContact CE1-CG2 3.47Å; H47-I268 WeakPolarHBondContact CE1-CG2 3.3Å
48I98.9Very high97.8Very high0 Ų028 Ų280%016%0.162CC..EExtended strand (participates in β ladder)trans-119.8122.2174.7-53-63.2000108.4L22 T24 V37 I60 F79 I80 V81L22-I48 HydrophobicContact CB-CD1 3.94Å; L22-I48 HydrophobicContact CD2-CD1 4.31Å; T24-I48 HydrophobicContact CG2-CG2 4.04Å; V37-I48 HydrophobicContact CG1-CD1 4.27Å; I48-I60 HydrophobicContact CG2-CG2 4.2Å; I48-F79 PolarHBondContact N-O 2.92Å; I48-I80 HydrophobicContact CB-CD1 3.78Å; I48-I80 HydrophobicContact CG1-CD1 3.9Å; I48-V81 PolarHBondContact O-N 3.41Å
49D98.9Very high97.8Very high4 Ų429 Ų292%0.02117%0.167CC..EExtended strand (participates in β ladder)trans-102.9116.2176.4177-89.5000110.7L22 T24 K83 Q187 I268L22-D49 PolarHBondContact O-N 2.85Å; T24-D49 PolarHBondContact N-O 2.94Å; T24-D49 PolarHBondContact OG1-O 3.16Å; D49-K83 IonicContact OD1-NZ 3.28Å; D49-K83 PolarHBondContact OD1-NZ 3.28Å; D49-K83 WeakPolarHBondContact OD2-CE 3.42Å; D49-K83 IonicContact OD2-NZ 3.93Å; D49-K83 PolarHBondContact OD2-NZ 3.46Å; D49-Q187 PolarHBondContact OD2-NE2 3.44Å; D49-I268 HydrophobicContact CB-CB 4.11Å; D49-I268 HydrophobicContact CB-CD1 3.82Å; D49-I268 HydrophobicContact CB-CG2 3.79Å; D49-I268 WeakPolarHBondContact OD1-CD1 3.29Å
50T98.8Very high97.9Very high0 Ų028 Ų280%016%0.158CC..  trans-132.4-177.4177.8-169.30000111.3T24 E57 I60 V81 S82 K83 L105T24-T50 VanDerWaalsContact OG1-CA 3.31Å; T24-T50 WeakPolarHBondContact OG1-CA 3.43Å; T24-T50 WeakPolarHBondContact OG1-CB 3.47Å; T24-T50 PolarHBondContact OG1-OG1 3.46Å; T50-E57 HydrophobicContact CG2-CG 4.04Å; T50-E57 VanDerWaalsContact CG2-OE1 3.31Å; T50-E57 WeakPolarHBondContact CG2-OE1 3.36Å; T50-E57 WeakPolarHBondContact OG1-CG 3.47Å; T50-I60 HydrophobicContact CG2-CD1 4.38Å; T50-I60 VanDerWaalsContact OG1-CD1 3.23Å; T50-I60 WeakPolarHBondContact OG1-CD1 3.45Å; T50-V81 WeakPolarHBondContact CG2-O 3.21Å; T50-V81 PolarHBondContact N-O 3.07Å; T50-S82 WeakPolarHBondContact O-CA 3.21Å; T50-K83 WeakPolarHBondContact O-CG 3.35Å; T50-K83 PolarHBondContact O-NZ 3.46Å; T50-L105 HydrophobicContact CG2-CD1 4.26Å; T50-L105 HydrophobicContact CG2-CD2 4.21Å
51A98.7Very high97.9Very high0 Ų028 Ų280%016%0.158CC..  trans-157.8152.5171.800000111S53 Y54 K83 H116A51-S53 PolarHBondContact O-N 2.97Å; A51-Y54 HydrophobicContact CB-CD1 3.78Å; A51-Y54 HydrophobicContact CB-CD2 3.9Å; A51-Y54 HydrophobicContact CB-CE1 3.64Å; A51-Y54 HydrophobicContact CB-CE2 3.76Å; A51-Y54 HydrophobicContact CB-CG 3.9Å; A51-Y54 WeakPolarHBondContact O-CB 3.43Å; A51-Y54 PolarHBondContact O-N 3.29Å; A51-K83 HydrophobicContact CB-CB 3.83Å; A51-K83 HydrophobicContact CB-CD 3.96Å; A51-K83 HydrophobicContact CB-CG 3.82Å; A51-H116 VanDerWaalsContact CB-CE1 3.43Å; A51-H116 WeakPolarHBondContact CB-CE1 3.33Å
52F98.2Very high97.9Very high12 Ų1231.8 Ų31.85%0.05318%0.175CC..G310 helixtrans-48.1-44.8170.3175.4-90.5000112.7Y54 R55 E57 W85 H88 C97 R100 L128F52-Y54 PolarHBondContact O-N 2.97Å; F52-R55 PolarHBondContact O-N 2.81Å; F52-E57 WeakPolarHBondContact CA-OE2 3.24Å; F52-W85 HydrophobicContact CD1-CB 3.93Å; F52-H88 AromaticContact CE1-CE1 3.47Å; F52-H88 VanDerWaalsContact CE1-CE1 3.47Å; F52-H88 WeakPolarHBondContact CE1-CE1 3.4Å; F52-H88 AromaticContact CZ-CE1 3.56Å; F52-H88 AromaticContact CZ-NE2 3.76Å; F52-C97 VanDerWaalsContact CG-SG 3.54Å; F52-R100 HydrophobicContact CD2-CB 4.25Å; F52-R100 HydrophobicContact CD2-CG 4.18Å; F52-R100 HydrophobicContact CE2-CB 3.89Å; F52-R100 HydrophobicContact CE2-CG 3.73Å; F52-L128 HydrophobicContact CD1-CD2 4.12Å; F52-L128 HydrophobicContact CE1-CD2 3.73Å
53S97.3Very high97.9Very high16 Ų1627.6 Ų27.611%0.11214%0.14CC..G310 helixtrans-71.4-10.3-175.959.40000114.6A51 R55 W85 H116 L128A51-S53 PolarHBondContact O-N 2.97Å; S53-R55 VanDerWaalsContact C-N 3.25Å; S53-R55 PolarHBondContact O-N 2.97Å; S53-W85 VanDerWaalsContact CB-CE3 3.4Å; S53-W85 VanDerWaalsContact OG-CZ3 3.31Å; S53-W85 WeakPolarHBondContact OG-CZ3 3.19Å; S53-H116 PolarHBondContact OG-CE1 2.84Å; S53-H116 VanDerWaalsContact OG-CE1 3.27Å; S53-L128 WeakPolarHBondContact O-CD1 3.3Å
54Y96.4Very high97.9Very high32 Ų3226.7 Ų26.713%0.12513%0.133CC..G310 helixtrans-80-12.8178.6-58.9-6.9000112.1W25 A51 F52 N56 K83 H116W25-Y54 HydrophobicContact CB-CD2 4.32Å; W25-Y54 HydrophobicContact CB-CE1 4.36Å; W25-Y54 HydrophobicContact CB-CE2 3.98Å; W25-Y54 AromaticContact CD1-CD1 3.55Å; W25-Y54 AromaticContact CD1-CE1 3.39Å; W25-Y54 AromaticContact CD1-CZ 3.92Å; W25-Y54 HydrophobicContact CG-CD1 4.5Å; W25-Y54 HydrophobicContact CG-CE1 4.21Å; A51-Y54 HydrophobicContact CB-CD1 3.78Å; A51-Y54 HydrophobicContact CB-CD2 3.9Å; A51-Y54 HydrophobicContact CB-CE1 3.64Å; A51-Y54 HydrophobicContact CB-CE2 3.76Å; A51-Y54 HydrophobicContact CB-CG 3.9Å; A51-Y54 WeakPolarHBondContact O-CB 3.43Å; A51-Y54 PolarHBondContact O-N 3.29Å; F52-Y54 PolarHBondContact O-N 2.97Å; Y54-N56 WeakPolarHBondContact CB-OD1 3.38Å; Y54-N56 PolarHBondContact O-N 3.34Å; Y54-N56 VanDerWaalsContact O-N 3.16Å; Y54-K83 PolarHBondContact OH-NZ 3.38Å; Y54-H116 AromaticContact CE1-CE1 3.51Å; Y54-H116 AromaticContact CE1-NE2 3.93Å; Y54-H116 AromaticContact CZ-CE1 3.92Å
55R95.3Very high98Very high140 Ų14029.7 Ų29.753%0.52813%0.128SC..SBendtrans54.132.5176.4-60.7-67.5-165.8172.60.8113.3F52 S53 D126 L128F52-R55 PolarHBondContact O-N 2.81Å; S53-R55 VanDerWaalsContact C-N 3.25Å; S53-R55 PolarHBondContact O-N 2.97Å; R55-D126 PolarHBondContact NH2-O 3.19Å; R55-L128 HydrophobicContact CG-CD1 4.02Å
56N96.4Very high97.9Very high14 Ų1430.6 Ų30.68%0.07514%0.135CC..  trans-134.46.4-177.662.710000113.9T24 I33 Y54 V58 E59 I60T24-N56 PolarHBondContact O-ND2 3.24Å; I33-N56 HydrophobicContact CG2-CB 4.41Å; Y54-N56 WeakPolarHBondContact CB-OD1 3.38Å; Y54-N56 PolarHBondContact O-N 3.34Å; Y54-N56 VanDerWaalsContact O-N 3.16Å; N56-V58 VanDerWaalsContact C-N 3.25Å; N56-V58 PolarHBondContact O-N 3.27Å; N56-E59 PolarHBondContact O-N 2.86Å; N56-I60 WeakPolarHBondContact O-CG1 3.36Å; N56-I60 PolarHBondContact O-N 2.84Å
57E98.3Very high97.9Very high4 Ų428.5 Ų28.52%0.01913%0.128CC..Hα-helixtrans-60.4-31.5-179.8-72.6-169.8130.200113.1T50 F52 E59 I60 G61 S82 S101 D104 L105T50-E57 HydrophobicContact CG2-CG 4.04Å; T50-E57 VanDerWaalsContact CG2-OE1 3.31Å; T50-E57 WeakPolarHBondContact CG2-OE1 3.36Å; T50-E57 WeakPolarHBondContact OG1-CG 3.47Å; F52-E57 WeakPolarHBondContact CA-OE2 3.24Å; E57-E59 PolarHBondContact O-N 2.92Å; E57-I60 PolarHBondContact O-N 2.96Å; E57-G61 PolarHBondContact O-N 3.36Å; E57-S82 VanDerWaalsContact OE1-CB 3.3Å; E57-S82 WeakPolarHBondContact OE1-CB 3.37Å; E57-S82 PolarHBondContact OE1-OG 3.24Å; E57-S101 PolarHBondContact OE1-OG 3.02Å; E57-S101 VanDerWaalsContact OE2-CA 3.3Å; E57-S101 WeakPolarHBondContact OE2-CA 3.45Å; E57-S101 WeakPolarHBondContact OE2-CB 3.29Å; E57-S101 PolarHBondContact OE2-OG 3.09Å; E57-D104 HydrophobicContact CB-CB 3.79Å; E57-L105 HydrophobicContact CB-CD2 4.03Å; E57-L105 HydrophobicContact CB-CG 4.03Å; E57-L105 HydrophobicContact CG-CD2 4.22Å; E57-L105 HydrophobicContact CG-CG 4.28Å
58V98Very high97.9Very high59 Ų5931.1 Ų31.136%0.35814%0.141SC..Hα-helixtrans-57.8-47.1175.6174.20000111.8N56 G61 K62 D104N56-V58 VanDerWaalsContact C-N 3.25Å; N56-V58 PolarHBondContact O-N 3.27Å; V58-G61 PolarHBondContact O-N 2.89Å; V58-K62 WeakPolarHBondContact O-CG 3.36Å; V58-K62 PolarHBondContact O-N 2.95Å; V58-D104 WeakPolarHBondContact CA-O 3.32Å; V58-D104 HydrophobicContact CG2-CB 3.71Å
59E97.1Very high97.8Very high63 Ų6338.1 Ų38.129%0.29417%0.174SC..Hα-helixtrans-73.7-31.3-178.3-62.5-54.2127.100111.9I33 N56 E57 K62 A63I33-E59 HydrophobicContact CG2-CB 3.1Å; I33-E59 HydrophobicContact CG2-CG 3.87Å; N56-E59 PolarHBondContact O-N 2.86Å; E57-E59 PolarHBondContact O-N 2.92Å; E59-K62 PolarHBondContact O-N 3.17Å; E59-K62 IonicContact OE1-NZ 2.83Å; E59-K62 PolarHBondContact OE1-NZ 3.16Å; E59-K62 IonicContact OE2-NZ 3.22Å; E59-K62 PolarHBondContact OE2-NZ 3.49Å; E59-A63 PolarHBondContact O-N 3.04Å
60I98.3Very high97.8Very high0 Ų043.3 Ų43.30%020%0.198CC..Hα-helixtrans-64.6-46.8170.4-61.8168.3000109.2T24 I33 V37 I48 T50 N56 E57 K62 A63 L64 L105T24-I60 HydrophobicContact CG2-CD1 3.82Å; T24-I60 HydrophobicContact CG2-CG1 4.49Å; I33-I60 HydrophobicContact CG1-CD1 4.36Å; I33-I60 HydrophobicContact CG1-CG1 3.87Å; V37-I60 HydrophobicContact CG2-CG1 4.14Å; V37-I60 HydrophobicContact CG2-CG2 4.35Å; I48-I60 HydrophobicContact CG2-CG2 4.2Å; T50-I60 HydrophobicContact CG2-CD1 4.38Å; T50-I60 VanDerWaalsContact OG1-CD1 3.23Å; T50-I60 WeakPolarHBondContact OG1-CD1 3.45Å; N56-I60 WeakPolarHBondContact O-CG1 3.36Å; N56-I60 PolarHBondContact O-N 2.84Å; E57-I60 PolarHBondContact O-N 2.96Å; I60-K62 VanDerWaalsContact C-N 3.29Å; I60-K62 PolarHBondContact O-N 2.61Å; I60-A63 WeakPolarHBondContact O-CB 3.29Å; I60-A63 PolarHBondContact O-N 3.4Å; I60-L64 HydrophobicContact CG2-CD1 4.21Å; I60-L64 HydrophobicContact CG2-CG 4.25Å; I60-L64 WeakPolarHBondContact O-CG 3.29Å; I60-L64 PolarHBondContact O-N 2.84Å; I60-L105 HydrophobicContact CB-CD2 3.94Å; I60-L105 HydrophobicContact CG2-CD2 3.7Å
61G98.4Very high97.7Very high0 Ų046.4 Ų46.40%023%0.23CC..Hα-helixtrans-57.5-39.217700000113.2E57 V58 L64 R65 L105 Q106E57-G61 PolarHBondContact O-N 3.36Å; V58-G61 PolarHBondContact O-N 2.89Å; G61-L64 PolarHBondContact O-N 2.94Å; G61-R65 WeakPolarHBondContact O-CB 3.48Å; G61-R65 PolarHBondContact O-N 2.97Å; G61-L105 WeakPolarHBondContact CA-O 3.49Å; G61-Q106 VanDerWaalsContact C-NE2 3.34Å
62K98.4Very high97.6Very high85 Ų8549.9 Ų49.937%0.3725%0.251SS..Hα-helixtrans-59.9-44.9172.1-70173.3-174.2170.20112.3Q34 V58 E59 I60 S66Q34-K62 HydrophobicContact CG-CB 4.46Å; V58-K62 WeakPolarHBondContact O-CG 3.36Å; V58-K62 PolarHBondContact O-N 2.95Å; E59-K62 PolarHBondContact O-N 3.17Å; E59-K62 IonicContact OE1-NZ 2.83Å; E59-K62 PolarHBondContact OE1-NZ 3.16Å; E59-K62 IonicContact OE2-NZ 3.22Å; E59-K62 PolarHBondContact OE2-NZ 3.49Å; I60-K62 VanDerWaalsContact C-N 3.29Å; I60-K62 PolarHBondContact O-N 2.61Å; K62-S66 WeakPolarHBondContact O-CB 3.45Å; K62-S66 PolarHBondContact O-N 3.15Å
63A97.9Very high97.6Very high0 Ų049.5 Ų49.50%025%0.249CC..Hα-helixtrans-61.7-47.3176.800000111.5Q34 V37 E38 E59 I60 S66 K67Q34-A63 HydrophobicContact CB-CB 4.49Å; Q34-A63 HydrophobicContact CG-CB 3.72Å; V37-A63 HydrophobicContact CB-CB 3.75Å; V37-A63 HydrophobicContact CG1-CB 3.59Å; E38-A63 HydrophobicContact CG-CB 3.88Å; E59-A63 PolarHBondContact O-N 3.04Å; I60-A63 WeakPolarHBondContact O-CB 3.29Å; I60-A63 PolarHBondContact O-N 3.4Å; A63-S66 PolarHBondContact O-N 2.88Å; A63-K67 WeakPolarHBondContact O-CG 3.37Å; A63-K67 PolarHBondContact O-N 3.24Å
64L98.5Very high97.6Very high0 Ų055.4 Ų55.40%027%0.269CS..Hα-helixtrans-61.1-51.4-179.7-62-176.8000110.7V37 I41 I60 G61 S66 K67 M68 L78 I80 L107V37-L64 HydrophobicContact CG1-CD2 4.23Å; I41-L64 HydrophobicContact CD1-CD2 4.23Å; I60-L64 HydrophobicContact CG2-CD1 4.21Å; I60-L64 HydrophobicContact CG2-CG 4.25Å; I60-L64 WeakPolarHBondContact O-CG 3.29Å; I60-L64 PolarHBondContact O-N 2.84Å; G61-L64 PolarHBondContact O-N 2.94Å; L64-S66 PolarHBondContact O-N 3.02Å; L64-K67 PolarHBondContact O-N 2.89Å; L64-M68 HydrophobicContact CB-CE 4.25Å; L64-M68 WeakPolarHBondContact O-CG 3.43Å; L64-M68 PolarHBondContact O-N 3.31Å; L64-L78 HydrophobicContact CD2-CD1 3.82Å; L64-I80 HydrophobicContact CD1-CD1 3.96Å; L64-I80 HydrophobicContact CD1-CG1 4.35Å; L64-I80 HydrophobicContact CD2-CD1 4.28Å; L64-L107 HydrophobicContact CD1-CD1 4.13Å; L64-L107 HydrophobicContact CD1-CD2 4.45Å
65R97.9Very high97.7Very high114 Ų11455.4 Ų55.443%0.4327%0.269SS..Hα-helixtrans-57.6-49.9178.3-179.4177.7-68.6-156.85.9111.5G61 K67 M68 E69G61-R65 WeakPolarHBondContact O-CB 3.48Å; G61-R65 PolarHBondContact O-N 2.97Å; R65-K67 VanDerWaalsContact C-N 3.32Å; R65-K67 PolarHBondContact O-N 3.26Å; R65-M68 PolarHBondContact O-N 3.42Å; R65-M68 VanDerWaalsContact O-N 3.16Å; R65-E69 WeakPolarHBondContact CD-OE1 3.46Å; R65-E69 HydrophobicContact CG-CG 4.17Å; R65-E69 VanDerWaalsContact CG-OE1 3.24Å; R65-E69 WeakPolarHBondContact CG-OE1 3.44Å; R65-E69 WeakPolarHBondContact O-CB 3.44Å; R65-E69 WeakPolarHBondContact O-CG 3.28Å; R65-E69 PolarHBondContact O-N 3.17Å
66S97.6Very high97.8Very high24 Ų2454 Ų5417%0.16827%0.269CS..Hα-helixtrans-53.1-47.3177.8172.50000112.1K62 A63 L64 Q70K62-S66 WeakPolarHBondContact O-CB 3.45Å; K62-S66 PolarHBondContact O-N 3.15Å; A63-S66 PolarHBondContact O-N 2.88Å; L64-S66 PolarHBondContact O-N 3.02Å; S66-Q70 WeakPolarHBondContact O-CB 3.41Å; S66-Q70 VanDerWaalsContact O-CD 3.32Å; S66-Q70 WeakPolarHBondContact O-CG 3.38Å; S66-Q70 PolarHBondContact O-N 3.23Å; S66-Q70 PolarHBondContact O-NE2 3.41Å; S66-Q70 PolarHBondContact OG-NE2 3.47Å; S66-Q70 VanDerWaalsContact OG-NE2 3.08Å
67K98.1Very high97.7Very high32 Ų3256.1 Ų56.114%0.13928%0.279CS..Hα-helixtrans-74.5-29-179.7-62-59.7168.9-1600113.8E38 I41 A63 L64 R65 G71 V72 I73E38-K67 VanDerWaalsContact CB-CE 3.47Å; E38-K67 HydrophobicContact CG-CD 4.44Å; E38-K67 HydrophobicContact CG-CG 4.29Å; E38-K67 WeakPolarHBondContact OE2-CE 3.21Å; E38-K67 IonicContact OE2-NZ 3.51Å; E38-K67 PolarHBondContact OE2-NZ 3.03Å; I41-K67 HydrophobicContact CD1-CB 4.19Å; I41-K67 HydrophobicContact CD1-CG 3.9Å; I41-K67 HydrophobicContact CG2-CG 4.38Å; A63-K67 WeakPolarHBondContact O-CG 3.37Å; A63-K67 PolarHBondContact O-N 3.24Å; L64-K67 PolarHBondContact O-N 2.89Å; R65-K67 VanDerWaalsContact C-N 3.32Å; R65-K67 PolarHBondContact O-N 3.26Å; K67-G71 PolarHBondContact O-N 2.98Å; K67-V72 HydrophobicContact CB-CB 4.3Å; K67-V72 HydrophobicContact CD-CB 4.43Å; K67-V72 HydrophobicContact CD-CG2 4.39Å; K67-V72 WeakPolarHBondContact O-CB 3.46Å; K67-V72 PolarHBondContact O-N 3.23Å; K67-I73 HydrophobicContact CB-CD1 3.88Å; K67-I73 HydrophobicContact CB-CG1 3.68Å
68M98.1Very high97.7Very high54 Ų5456.1 Ų56.127%0.26628%0.28SS..Hα-helixtrans-70.9-43.7172.1-70.6-174.2-64.500111.8L64 R65 Q70 G71 I73 R75 L107L64-M68 HydrophobicContact CB-CE 4.25Å; L64-M68 WeakPolarHBondContact O-CG 3.43Å; L64-M68 PolarHBondContact O-N 3.31Å; R65-M68 PolarHBondContact O-N 3.42Å; R65-M68 VanDerWaalsContact O-N 3.16Å; M68-Q70 VanDerWaalsContact C-N 3.28Å; M68-Q70 PolarHBondContact O-N 3.09Å; M68-G71 PolarHBondContact O-N 2.75Å; M68-I73 WeakPolarHBondContact CA-O 3.36Å; M68-I73 HydrophobicContact CG-CD1 3.97Å; M68-I73 HydrophobicContact CG-CG1 4.01Å; M68-R75 HydrophobicContact SD-CB 3.91Å; M68-L107 HydrophobicContact CE-CD2 4.33Å
69E97.8Very high97.7Very high147 Ų14753.8 Ų53.869%0.68727%0.265SS*.Hα-helixtrans-63.7-33.1176.1-72.9173.4176.200112.3R65 G71R65-E69 WeakPolarHBondContact CD-OE1 3.46Å; R65-E69 HydrophobicContact CG-CG 4.17Å; R65-E69 VanDerWaalsContact CG-OE1 3.24Å; R65-E69 WeakPolarHBondContact CG-OE1 3.44Å; R65-E69 WeakPolarHBondContact O-CB 3.44Å; R65-E69 WeakPolarHBondContact O-CG 3.28Å; R65-E69 PolarHBondContact O-N 3.17Å; E69-G71 PolarHBondContact O-N 2.95Å
70Q97.7Very high97.8Very high114 Ų11450.8 Ų50.853%0.53325%0.251SS..THydrogen-bonded Turntrans-75-6.6172.9-71164.124.100113.6S66 M68 V72S66-Q70 WeakPolarHBondContact O-CB 3.41Å; S66-Q70 VanDerWaalsContact O-CD 3.32Å; S66-Q70 WeakPolarHBondContact O-CG 3.38Å; S66-Q70 PolarHBondContact O-N 3.23Å; S66-Q70 PolarHBondContact O-NE2 3.41Å; S66-Q70 PolarHBondContact OG-NE2 3.47Å; S66-Q70 VanDerWaalsContact OG-NE2 3.08Å; M68-Q70 VanDerWaalsContact C-N 3.28Å; M68-Q70 PolarHBondContact O-N 3.09Å; Q70-V72 HydrophobicContact CB-CG2 3.88Å; Q70-V72 PolarHBondContact O-N 3.44Å
71G97.2Very high97.9Very high65 Ų6550.8 Ų50.867%0.6725%0.251SS*.THydrogen-bonded Turntrans69.516.6-176.200000114.5K67 M68 E69K67-G71 PolarHBondContact O-N 2.98Å; M68-G71 PolarHBondContact O-N 2.75Å; E69-G71 PolarHBondContact O-N 2.95Å
72V97.6Very high97.9Very high72 Ų7250.8 Ų50.844%0.43625%0.251SS..SBendtrans-74-31.6179.9175.70000111.3I41 K67 Q70I41-V72 HydrophobicContact CG2-CG1 4Å; K67-V72 HydrophobicContact CB-CB 4.3Å; K67-V72 HydrophobicContact CD-CB 4.43Å; K67-V72 HydrophobicContact CD-CG2 4.39Å; K67-V72 WeakPolarHBondContact O-CB 3.46Å; K67-V72 PolarHBondContact O-N 3.23Å; Q70-V72 HydrophobicContact CB-CG2 3.88Å; Q70-V72 PolarHBondContact O-N 3.44Å
73I97.1Very high97.9Very high5 Ų546.8 Ų46.83%0.02623%0.233CC..  trans-144.5155.8179.347157.6000109.6I41 K67 M68 L78I41-I73 HydrophobicContact CD1-CD1 3.93Å; I41-I73 HydrophobicContact CG2-CG1 4.5Å; I41-I73 HydrophobicContact CG2-CG2 3.64Å; K67-I73 HydrophobicContact CB-CD1 3.88Å; K67-I73 HydrophobicContact CB-CG1 3.68Å; M68-I73 WeakPolarHBondContact CA-O 3.36Å; M68-I73 HydrophobicContact CG-CD1 3.97Å; M68-I73 HydrophobicContact CG-CG1 4.01Å; I73-L78 HydrophobicContact CD1-CD1 3.51Å; I73-L78 HydrophobicContact CD1-CD2 4.11Å; I73-L78 HydrophobicContact CD1-CG 4.04Å
74R98.1Very high97.9Very high139 Ų13946.8 Ų46.853%0.52523%0.233SC..  trans-107.2160.6165-52171.2-64.6158.2-2.5109.7E76 D77R74-E76 VanDerWaalsContact C-N 3.26Å; R74-E76 VanDerWaalsContact CB-CD 3.45Å; R74-E76 HydrophobicContact CB-CG 4.28Å; R74-E76 VanDerWaalsContact CB-OE2 3.29Å; R74-E76 WeakPolarHBondContact CB-OE2 3.35Å; R74-E76 VanDerWaalsContact CD-OE1 3.31Å; R74-E76 WeakPolarHBondContact CD-OE1 3.42Å; R74-E76 IonicContact CZ-OE1 3.88Å; R74-E76 IonicContact NE-OE1 3.24Å; R74-E76 PolarHBondContact NE-OE1 3.14Å; R74-E76 IonicContact NH1-OE1 3.79Å; R74-E76 PolarHBondContact NH1-OE1 3.4Å; R74-E76 PolarHBondContact O-N 3.39Å; R74-D77 VanDerWaalsContact CB-OD2 3.32Å; R74-D77 WeakPolarHBondContact CB-OD2 3.4Å; R74-D77 IonicContact CZ-OD1 3.2Å; R74-D77 IonicContact CZ-OD2 3.4Å; R74-D77 PolarHBondContact N-OD2 3.47Å; R74-D77 IonicContact NE-OD1 2.72Å; R74-D77 IonicContact NE-OD2 3.38Å; R74-D77 PolarHBondContact NE-OD2 3.16Å; R74-D77 VanDerWaalsContact NE-OD2 3.09Å; R74-D77 IonicContact NH2-OD1 2.94Å; R74-D77 PolarHBondContact NH2-OD1 3.08Å; R74-D77 IonicContact NH2-OD2 2.76Å; R74-D77 WeakPolarHBondContact O-CB 3.24Å; R74-D77 PolarHBondContact O-N 2.92Å; R74-D77 VanDerWaalsContact O-N 3.08Å
75R98Very high97.9Very high32 Ų3247.6 Ų47.612%0.12124%0.237CC..G310 helixtrans-59.4-40.7-178.6173.755.5-17195.3-6.3111.4M68 D77 L78 Y109 D111M68-R75 HydrophobicContact SD-CB 3.91Å; R75-D77 PolarHBondContact O-N 3.11Å; R75-L78 PolarHBondContact NH1-O 2.89Å; R75-L78 VanDerWaalsContact NH1-O 3.11Å; R75-L78 PolarHBondContact O-N 2.87Å; R75-L78 VanDerWaalsContact O-N 3.16Å; R75-Y109 HydrophobicContact CG-CE1 3.88Å; R75-Y109 VanDerWaalsContact CZ-CZ 3.44Å; R75-Y109 PolarHBondContact NH1-OH 2.86Å; R75-Y109 PolarHBondContact NH2-O 2.86Å; R75-D111 IonicContact CZ-OD2 2.63Å; R75-D111 IonicContact NH1-OD1 3.63Å; R75-D111 IonicContact NH1-OD2 3.72Å; R75-D111 PolarHBondContact NH1-OD2 2.83Å; R75-D111 IonicContact NH2-OD1 3.94Å; R75-D111 IonicContact NH2-OD2 3.61Å; R75-D111 PolarHBondContact NH2-OD2 3.27Å
76E97.3Very high98Very high112 Ų11242.2 Ų42.252%0.52322%0.216SC..G310 helixtrans-69.6-14.9179.465.7-89.6-154.100114R74 L78R74-E76 VanDerWaalsContact C-N 3.26Å; R74-E76 VanDerWaalsContact CB-CD 3.45Å; R74-E76 HydrophobicContact CB-CG 4.28Å; R74-E76 VanDerWaalsContact CB-OE2 3.29Å; R74-E76 WeakPolarHBondContact CB-OE2 3.35Å; R74-E76 VanDerWaalsContact CD-OE1 3.31Å; R74-E76 WeakPolarHBondContact CD-OE1 3.42Å; R74-E76 IonicContact CZ-OE1 3.88Å; R74-E76 IonicContact NE-OE1 3.24Å; R74-E76 PolarHBondContact NE-OE1 3.14Å; R74-E76 IonicContact NH1-OE1 3.79Å; R74-E76 PolarHBondContact NH1-OE1 3.4Å; R74-E76 PolarHBondContact O-N 3.39Å; E76-L78 VanDerWaalsContact C-N 3.26Å
77D94.3Very high98Very high57 Ų5741.3 Ų41.331%0.30521%0.209SC..G310 helixtrans-81.7-9.7174.4-57.2-42.1000111.7R46 R74 R75R46-D77 VanDerWaalsContact CB-O 3.32Å; R46-D77 WeakPolarHBondContact CB-O 3.26Å; R46-D77 VanDerWaalsContact CD-O 3.28Å; R46-D77 WeakPolarHBondContact CD-O 3.38Å; R46-D77 WeakPolarHBondContact CG-O 3.27Å; R74-D77 VanDerWaalsContact CB-OD2 3.32Å; R74-D77 WeakPolarHBondContact CB-OD2 3.4Å; R74-D77 IonicContact CZ-OD1 3.2Å; R74-D77 IonicContact CZ-OD2 3.4Å; R74-D77 PolarHBondContact N-OD2 3.47Å; R74-D77 IonicContact NE-OD1 2.72Å; R74-D77 IonicContact NE-OD2 3.38Å; R74-D77 PolarHBondContact NE-OD2 3.16Å; R74-D77 VanDerWaalsContact NE-OD2 3.09Å; R74-D77 IonicContact NH2-OD1 2.94Å; R74-D77 PolarHBondContact NH2-OD1 3.08Å; R74-D77 IonicContact NH2-OD2 2.76Å; R74-D77 WeakPolarHBondContact O-CB 3.24Å; R74-D77 PolarHBondContact O-N 2.92Å; R74-D77 VanDerWaalsContact O-N 3.08Å; R75-D77 PolarHBondContact O-N 3.11Å
78L98.4Very high98Very high5 Ų540.5 Ų40.53%0.02621%0.206CC..  trans-104.9147.3-176.2-65.8173.4000112.8R46 L64 I73 R75 E76 I80R46-L78 CarbonylContact O-C 3.49Å; R46-L78 WeakPolarHBondContact O-CA 3.37Å; L64-L78 HydrophobicContact CD2-CD1 3.82Å; I73-L78 HydrophobicContact CD1-CD1 3.51Å; I73-L78 HydrophobicContact CD1-CD2 4.11Å; I73-L78 HydrophobicContact CD1-CG 4.04Å; R75-L78 PolarHBondContact NH1-O 2.89Å; R75-L78 VanDerWaalsContact NH1-O 3.11Å; R75-L78 PolarHBondContact O-N 2.87Å; R75-L78 VanDerWaalsContact O-N 3.16Å; E76-L78 VanDerWaalsContact C-N 3.26Å; L78-I80 HydrophobicContact CB-CD1 4.05Å; L78-I80 HydrophobicContact CB-CG1 4.17Å; L78-I80 HydrophobicContact CD1-CD1 4.22Å
79F98.9Very high98Very high10 Ų1038.1 Ų38.14%0.04420%0.195CC..EExtended strand (participates in β ladder)trans-115.599.4168.8-165.6-82.1000109.3L11 R16 M17 P18 R46 H47 I48 V81 D111 L112L11-F79 HydrophobicContact CD1-CE2 4.33Å; L11-F79 HydrophobicContact CD1-CZ 4.13Å; R16-F79 WeakPolarHBondContact O-CD2 3.34Å; M17-F79 HydrophobicContact CB-CD2 4.31Å; M17-F79 HydrophobicContact CB-CE1 4.32Å; M17-F79 HydrophobicContact CB-CE2 3.84Å; M17-F79 HydrophobicContact CB-CZ 3.85Å; M17-F79 HydrophobicContact CE-CE1 3.99Å; M17-F79 HydrophobicContact CG-CD1 4.06Å; M17-F79 HydrophobicContact CG-CD2 4.44Å; M17-F79 HydrophobicContact CG-CE1 3.67Å; M17-F79 HydrophobicContact CG-CE2 4.1Å; M17-F79 HydrophobicContact CG-CG 4.42Å; M17-F79 HydrophobicContact CG-CZ 3.7Å; M17-F79 HydrophobicContact SD-CE1 3.91Å; M17-F79 HydrophobicContact SD-CZ 3.97Å; P18-F79 HydrophobicContact CG-CB 4.11Å; R46-F79 PolarHBondContact O-N 3.44Å; H47-F79 CarbonylContact C-O 3.58Å; H47-F79 VanDerWaalsContact CA-O 3.26Å; H47-F79 WeakPolarHBondContact CA-O 3.46Å; H47-F79 HydrophobicContact CB-CB 4.27Å; H47-F79 AromaticContact CD2-CD1 3.87Å; I48-F79 PolarHBondContact N-O 2.92Å; F79-V81 HydrophobicContact CD1-CG2 3.88Å; F79-V81 HydrophobicContact CE1-CG2 3.72Å; F79-D111 WeakPolarHBondContact CA-OD2 3.15Å; F79-D111 HydrophobicContact CB-CB 4.45Å; F79-D111 HydrophobicContact CD1-CB 4.22Å; F79-D111 HydrophobicContact CD2-CB 3.69Å; F79-D111 HydrophobicContact CE1-CB 4.4Å; F79-D111 HydrophobicContact CE2-CB 3.89Å; F79-D111 HydrophobicContact CG-CB 3.87Å; F79-D111 HydrophobicContact CZ-CB 4.24Å; F79-L112 HydrophobicContact CE1-CB 3.68Å; F79-L112 HydrophobicContact CE1-CD2 3.96Å; F79-L112 HydrophobicContact CZ-CB 3.76Å; F79-L112 HydrophobicContact CZ-CD2 4.22Å
80I98.9Very high97.9Very high0 Ų033.9 Ų33.90%018%0.176CC..EExtended strand (participates in β ladder)trans-101.7122.7-176.7-52.6-58.8000110.1I48 L64 L78 L105 L107 L110 D111 L112I48-I80 HydrophobicContact CB-CD1 3.78Å; I48-I80 HydrophobicContact CG1-CD1 3.9Å; L64-I80 HydrophobicContact CD1-CD1 3.96Å; L64-I80 HydrophobicContact CD1-CG1 4.35Å; L64-I80 HydrophobicContact CD2-CD1 4.28Å; L78-I80 HydrophobicContact CB-CD1 4.05Å; L78-I80 HydrophobicContact CB-CG1 4.17Å; L78-I80 HydrophobicContact CD1-CD1 4.22Å; I80-L105 HydrophobicContact CG2-CD1 4.1Å; I80-L107 HydrophobicContact CB-CD1 4.23Å; I80-L107 HydrophobicContact CG1-CD1 4.01Å; I80-L107 HydrophobicContact CG2-CD1 4.02Å; I80-L110 HydrophobicContact CG2-CD2 3.99Å; I80-D111 PolarHBondContact N-OD2 2.91Å; I80-D111 PolarHBondContact O-N 3Å; I80-L112 PolarHBondContact O-N 2.83Å
81V98.9Very high97.8Very high0 Ų032.9 Ų32.90%018%0.18CC..EExtended strand (participates in β ladder)trans-105.1130175.8-169.20000109.7H47 I48 T50 F79 L112 L114H47-V81 WeakPolarHBondContact NE2-CG2 3.45Å; I48-V81 PolarHBondContact O-N 3.41Å; T50-V81 WeakPolarHBondContact CG2-O 3.21Å; T50-V81 PolarHBondContact N-O 3.07Å; F79-V81 HydrophobicContact CD1-CG2 3.88Å; F79-V81 HydrophobicContact CE1-CG2 3.72Å; V81-L112 WeakPolarHBondContact CA-O 3.28Å; V81-L112 HydrophobicContact CB-CB 4.47Å; V81-L112 HydrophobicContact CG1-CB 4.2Å; V81-L112 HydrophobicContact CG1-CD2 3.95Å; V81-L112 HydrophobicContact CG1-CG 4.04Å; V81-L112 HydrophobicContact CG2-CB 4.08Å; V81-L112 HydrophobicContact CG2-CD2 3.97Å; V81-L112 HydrophobicContact CG2-CG 4.48Å; V81-L114 HydrophobicContact CG1-CD1 3.81Å; V81-L114 HydrophobicContact CG1-CG 3.97Å
82S98.9Very high97.8Very high0 Ų036 Ų360%018%0.177CC..EExtended strand (participates in β ladder)trans-129174.5161.1-166.60000110.6T50 E57 S101 L112 Y113 L114T50-S82 WeakPolarHBondContact O-CA 3.21Å; E57-S82 VanDerWaalsContact OE1-CB 3.3Å; E57-S82 WeakPolarHBondContact OE1-CB 3.37Å; E57-S82 PolarHBondContact OE1-OG 3.24Å; S82-S101 PolarHBondContact OG-OG 3.05Å; S82-L112 PolarHBondContact N-O 2.94Å; S82-Y113 WeakPolarHBondContact O-CA 3.38Å; S82-Y113 WeakPolarHBondContact O-CD2 3.19Å; S82-L114 PolarHBondContact O-N 3.36Å
83K98.9Very high97.8Very high0 Ų033.3 Ų33.30%016%0.16CC..EExtended strand (participates in β ladder)trans-139.6132.2-168.7-42.5-175.9-178.375.70111.6D49 T50 A51 Y54 W85 L114 H116D49-K83 IonicContact OD1-NZ 3.28Å; D49-K83 PolarHBondContact OD1-NZ 3.28Å; D49-K83 WeakPolarHBondContact OD2-CE 3.42Å; D49-K83 IonicContact OD2-NZ 3.93Å; D49-K83 PolarHBondContact OD2-NZ 3.46Å; T50-K83 WeakPolarHBondContact O-CG 3.35Å; T50-K83 PolarHBondContact O-NZ 3.46Å; A51-K83 HydrophobicContact CB-CB 3.83Å; A51-K83 HydrophobicContact CB-CD 3.96Å; A51-K83 HydrophobicContact CB-CG 3.82Å; Y54-K83 PolarHBondContact OH-NZ 3.38Å; K83-W85 PolarHBondContact O-N 2.96Å; K83-L114 CarbonylContact C-O 3.48Å; K83-L114 VanDerWaalsContact CA-O 3.25Å; K83-L114 WeakPolarHBondContact CA-O 3.46Å; K83-L114 HydrophobicContact CB-CB 4.34Å; K83-L114 HydrophobicContact CD-CD1 4.41Å; K83-L114 HydrophobicContact CG-CB 4.1Å; K83-L114 HydrophobicContact CG-CD1 4.37Å; K83-H116 HydrophobicContact CB-CB 3.82Å; K83-H116 WeakPolarHBondContact CB-ND1 3.3Å; K83-H116 HydrophobicContact CD-CB 4.44Å
84L98.9Very high97.8Very high0 Ų033.2 Ų33.20%016%0.16CC..EExtended strand (participates in β ladder)trans-68.3117.2169.8-179.868.2000109.5H88 F89 I94 C97 Y113 L114 H116 V146 L150L84-H88 HydrophobicContact CD1-CB 3.68Å; L84-H88 WeakPolarHBondContact CD1-O 3.13Å; L84-F89 HydrophobicContact CD2-CD1 4.35Å; L84-F89 HydrophobicContact CD2-CE1 4.33Å; L84-F89 HydrophobicContact CG-CE1 4.48Å; L84-I94 HydrophobicContact CD1-CG1 4.46Å; L84-I94 HydrophobicContact CD2-CG1 3.94Å; L84-I94 HydrophobicContact CD2-CG2 4.33Å; L84-C97 HydrophobicContact CD1-CB 3.54Å; L84-Y113 WeakPolarHBondContact CA-OH 3.23Å; L84-Y113 HydrophobicContact CB-CE1 3.85Å; L84-L114 PolarHBondContact N-O 3.18Å; L84-H116 WeakPolarHBondContact O-CB 3.41Å; L84-H116 PolarHBondContact O-N 2.84Å; L84-H116 VanDerWaalsContact O-N 3.08Å; L84-V146 HydrophobicContact CD2-CG1 3.35Å; L84-L150 HydrophobicContact CD2-CD1 3.84Å
85W98.4Very high97.8Very high18 Ų1828.7 Ų28.77%0.06815%0.148CC..  trans-79.5154-179.3-169.9-117.3000112.8F52 S53 K83 T87 H88 H116 F121 L128 F129F52-W85 HydrophobicContact CD1-CB 3.93Å; S53-W85 VanDerWaalsContact CB-CE3 3.4Å; S53-W85 VanDerWaalsContact OG-CZ3 3.31Å; S53-W85 WeakPolarHBondContact OG-CZ3 3.19Å; K83-W85 PolarHBondContact O-N 2.96Å; W85-T87 PolarHBondContact O-N 3.34Å; W85-H88 PolarHBondContact O-N 3.23Å; W85-H116 HydrophobicContact CE3-CB 3.99Å; W85-H116 AromaticContact CE3-CE1 3.77Å; W85-H116 AromaticContact CE3-CG 3.65Å; W85-H116 AromaticContact CE3-ND1 3.26Å; W85-H116 VanDerWaalsContact CE3-ND1 3.26Å; W85-H116 HydrophobicContact CZ3-CB 4.35Å; W85-H116 AromaticContact CZ3-CD2 3.96Å; W85-H116 AromaticContact CZ3-CE1 3.57Å; W85-H116 AromaticContact CZ3-CG 3.71Å; W85-H116 AromaticContact CZ3-ND1 3.48Å; W85-H116 WeakPolarHBondContact CZ3-ND1 3.47Å; W85-H116 AromaticContact CZ3-NE2 3.89Å; W85-F121 HydrophobicContact CZ2-CE2 4.2Å; W85-L128 HydrophobicContact CG-CD2 4.24Å; W85-L128 PolarHBondContact NE1-O 3.3Å; W85-F129 HydrophobicContact CH2-CE1 4.06Å; W85-F129 AromaticContact CH2-CZ 3.87Å; W85-F129 HydrophobicContact CH2-CZ 3.87Å; W85-F129 HydrophobicContact CZ2-CD1 4.31Å; W85-F129 AromaticContact CZ2-CE1 3.53Å; W85-F129 HydrophobicContact CZ2-CE1 3.53Å; W85-F129 HydrophobicContact CZ2-CE2 4.12Å; W85-F129 AromaticContact CZ2-CZ 3.41Å; W85-F129 HydrophobicContact CZ2-CZ 3.41Å; W85-F129 VanDerWaalsContact CZ2-CZ 3.41Å
86C98.2Very high97.8Very high0 Ų030.7 Ų30.70%016%0.164CC..G310 helixtrans-56-25.6-174.4-53.40000114.5H88 V119 G120 F121C86-H88 VanDerWaalsContact C-N 3.27Å; C86-H88 PolarHBondContact O-N 2.99Å; C86-V119 VanDerWaalsContact CB-O 3.31Å; C86-V119 WeakPolarHBondContact CB-O 3.38Å; C86-V119 PolarHBondContact SG-O 2.92Å; C86-V119 VanDerWaalsContact SG-O 3.36Å; C86-G120 CarbonylContact O-C 3.52Å; C86-G120 WeakPolarHBondContact O-CA 3.49Å; C86-F121 HydrophobicContact CB-CB 4.13Å; C86-F121 HydrophobicContact CB-CD1 3.95Å; C86-F121 HydrophobicContact CB-CD2 3.44Å; C86-F121 VanDerWaalsContact CB-CD2 3.44Å; C86-F121 HydrophobicContact CB-CE1 4.12Å; C86-F121 HydrophobicContact CB-CE2 3.67Å; C86-F121 HydrophobicContact CB-CG 3.57Å; C86-F121 HydrophobicContact CB-CZ 3.99Å; C86-F121 PolarHBondContact O-N 3.44Å
87T98.1Very high97.9Very high5 Ų525.3 Ų25.33%0.03114%0.139CC..G310 helixtrans-82.72.4178.258.50000114.3W85 F121 P130W85-T87 PolarHBondContact O-N 3.34Å; T87-F121 HydrophobicContact CG2-CB 3.76Å; T87-F121 HydrophobicContact CG2-CD2 4.31Å; T87-P130 HydrophobicContact CG2-CG 4.17Å
88H98.2Very high98.1Very high15 Ų1522.6 Ų22.67%0.06912%0.124CC..G310 helixtrans-121.537.5-178.3-6670.7000111.4F52 L84 W85 C86 D93 I94 C97F52-H88 AromaticContact CE1-CE1 3.47Å; F52-H88 VanDerWaalsContact CE1-CE1 3.47Å; F52-H88 WeakPolarHBondContact CE1-CE1 3.4Å; F52-H88 AromaticContact CZ-CE1 3.56Å; F52-H88 AromaticContact CZ-NE2 3.76Å; L84-H88 HydrophobicContact CD1-CB 3.68Å; L84-H88 WeakPolarHBondContact CD1-O 3.13Å; W85-H88 PolarHBondContact O-N 3.23Å; C86-H88 VanDerWaalsContact C-N 3.27Å; C86-H88 PolarHBondContact O-N 2.99Å; H88-D93 HydrophobicContact CB-CB 4Å; H88-I94 WeakPolarHBondContact O-CG1 3.49Å; H88-C97 HydrophobicContact CB-CB 3.86Å
89F97.9Very high98.1Very high5 Ų526.3 Ų26.32%0.02214%0.144CC..  trans-84.6-17.6-176.7-86.726.4000113.2L84 I115 F117 T141 V146L84-F89 HydrophobicContact CD2-CD1 4.35Å; L84-F89 HydrophobicContact CD2-CE1 4.33Å; L84-F89 HydrophobicContact CG-CE1 4.48Å; F89-I115 HydrophobicContact CE1-CG2 4.12Å; F89-I115 HydrophobicContact CZ-CG2 3.62Å; F89-F117 WeakPolarHBondContact CZ-O 3.32Å; F89-T141 HydrophobicContact CB-CG2 4Å; F89-V146 HydrophobicContact CB-CG2 3.83Å; F89-V146 HydrophobicContact CD1-CG1 4.28Å; F89-V146 HydrophobicContact CD1-CG2 4.2Å; F89-V146 HydrophobicContact CD2-CG2 3.55Å; F89-V146 HydrophobicContact CE1-CG1 4.27Å; F89-V146 HydrophobicContact CE2-CG2 4.03Å; F89-V146 HydrophobicContact CG-CG2 3.62Å; F89-V146 HydrophobicContact CZ-CG2 4.5Å
90D96.3Very high98.1Very high57 Ų5731.6 Ų31.631%0.30516%0.164SC..SBendtrans-68.3141.2175.4-64.7-28.2000110.5E92 D93 I94D90-E92 HydrophobicContact CB-CG 4.49Å; D90-E92 PolarHBondContact O-N 3.05Å; D90-E92 VanDerWaalsContact O-N 3.11Å; D90-D93 WeakPolarHBondContact O-CB 3.15Å; D90-D93 PolarHBondContact O-N 3.33Å; D90-I94 PolarHBondContact O-N 2.89Å
91P95.4Very high98.1Very high94 Ų9431.6 Ų31.661%0.6116%0.164SC*.THydrogen-bonded Turntrans-52.8-37.2-172.8-29.536000114.8D93 P95P91-D93 VanDerWaalsContact C-N 3.3Å; P91-D93 PolarHBondContact O-N 3.38Å; P91-P95 VanDerWaalsContact O-CD 3.24Å; P91-P95 WeakPolarHBondContact O-CD 3.35Å
92E96.1Very high98.1Very high129 Ų12932.2 Ų32.260%0.60317%0.167SC*.THydrogen-bonded Turntrans-68.9-25.1177.358.6-95.2-13200113.7D90 V96D90-E92 HydrophobicContact CB-CG 4.49Å; D90-E92 PolarHBondContact O-N 3.05Å; D90-E92 VanDerWaalsContact O-N 3.11Å; E92-V96 WeakPolarHBondContact O-CG2 3.36Å
93D97.7Very high98.1Very high16 Ų1638 Ų389%0.08619%0.194CC..Hα-helixtrans-91.4-25.8-173.6-75.7-28.2000113.5H88 D90 P91 V96 C97 K123H88-D93 HydrophobicContact CB-CB 4Å; D90-D93 WeakPolarHBondContact O-CB 3.15Å; D90-D93 PolarHBondContact O-N 3.33Å; P91-D93 VanDerWaalsContact C-N 3.3Å; P91-D93 PolarHBondContact O-N 3.38Å; D93-V96 WeakPolarHBondContact O-CB 3.46Å; D93-V96 PolarHBondContact O-N 3.31Å; D93-V96 VanDerWaalsContact O-N 3.14Å; D93-C97 PolarHBondContact O-N 3.05Å; D93-K123 IonicContact OD1-NZ 2.72Å; D93-K123 PolarHBondContact OD1-NZ 2.95Å; D93-K123 WeakPolarHBondContact OD2-CD 3.37Å; D93-K123 IonicContact OD2-NZ 2.85Å; D93-K123 PolarHBondContact OD2-NZ 3.47Å
94I98.4Very high98.1Very high3 Ų339.9 Ų39.92%0.01520%0.204CC..Hα-helixtrans-52.9-55176.4-63.7172000111.9L84 H88 D90 V96 C97 L98 V146 L150 L153L84-I94 HydrophobicContact CD1-CG1 4.46Å; L84-I94 HydrophobicContact CD2-CG1 3.94Å; L84-I94 HydrophobicContact CD2-CG2 4.33Å; H88-I94 WeakPolarHBondContact O-CG1 3.49Å; D90-I94 PolarHBondContact O-N 2.89Å; I94-V96 VanDerWaalsContact C-N 3.29Å; I94-V96 PolarHBondContact O-N 3.48Å; I94-C97 PolarHBondContact O-N 2.82Å; I94-L98 PolarHBondContact O-N 3.33Å; I94-V146 HydrophobicContact CD1-CG1 4.12Å; I94-L150 HydrophobicContact CG2-CD1 4.37Å; I94-L153 HydrophobicContact CG2-CD1 3.61Å; I94-L153 HydrophobicContact CG2-CG 4.4Å
95P98.4Very high98.1Very high44 Ų4440 Ų4029%0.28621%0.205SC..Hα-helixtrans-67.8-28.1177.927.1-35.1000113P91 N99 L153P91-P95 VanDerWaalsContact O-CD 3.24Å; P91-P95 WeakPolarHBondContact O-CD 3.35Å; P95-N99 VanDerWaalsContact O-CB 3.27Å; P95-N99 WeakPolarHBondContact O-CB 3.44Å; P95-N99 PolarHBondContact O-N 3.2Å; P95-N99 PolarHBondContact O-ND2 3.03Å; P95-N99 VanDerWaalsContact O-ND2 3.11Å; P95-L153 HydrophobicContact CB-CD2 4.18Å
96V98.2Very high98.1Very high74 Ų7442 Ų4245%0.44822%0.215SC..Hα-helixtrans-67.4-43.9177174.60000110.6E92 D93 I94 N99 R100E92-V96 WeakPolarHBondContact O-CG2 3.36Å; D93-V96 WeakPolarHBondContact O-CB 3.46Å; D93-V96 PolarHBondContact O-N 3.31Å; D93-V96 VanDerWaalsContact O-N 3.14Å; I94-V96 VanDerWaalsContact C-N 3.29Å; I94-V96 PolarHBondContact O-N 3.48Å; V96-N99 WeakPolarHBondContact O-CB 3.16Å; V96-N99 PolarHBondContact O-N 2.88Å; V96-R100 PolarHBondContact O-N 2.88Å
97C98.6Very high98.1Very high0 Ų042.6 Ų42.60%022%0.218CC..Hα-helixtrans-61.1-49.2176.4-166.30000111F52 L84 H88 D93 I94 N99 R100 S101F52-C97 VanDerWaalsContact CG-SG 3.54Å; L84-C97 HydrophobicContact CD1-CB 3.54Å; H88-C97 HydrophobicContact CB-CB 3.86Å; D93-C97 PolarHBondContact O-N 3.05Å; I94-C97 PolarHBondContact O-N 2.82Å; C97-N99 PolarHBondContact O-N 3.19Å; C97-R100 PolarHBondContact O-N 2.96Å; C97-S101 PolarHBondContact O-N 3.21Å
98L98.8Very high98.1Very high0 Ų049.7 Ų49.70%026%0.256CS..Hα-helixtrans-60.4-44.3176.4178.666.6000111.9I94 R100 S101 L102 L110 Y113 L153 R158 V159I94-L98 PolarHBondContact O-N 3.33Å; L98-R100 VanDerWaalsContact C-N 3.29Å; L98-R100 PolarHBondContact O-N 3.13Å; L98-S101 PolarHBondContact O-N 3.16Å; L98-L102 HydrophobicContact CD1-CD1 4.35Å; L98-L102 HydrophobicContact CD1-CG 4.16Å; L98-L102 HydrophobicContact CD2-CD1 4.47Å; L98-L102 HydrophobicContact CG-CD1 4.08Å; L98-L102 HydrophobicContact CG-CG 4.3Å; L98-L102 WeakPolarHBondContact O-CG 3.22Å; L98-L102 PolarHBondContact O-N 2.92Å; L98-L110 HydrophobicContact CD1-CD1 3.46Å; L98-L110 VanDerWaalsContact CD1-CD1 3.46Å; L98-L110 HydrophobicContact CD1-CG 4.12Å; L98-Y113 HydrophobicContact CB-CE1 4.17Å; L98-Y113 HydrophobicContact CD1-CD1 4.34Å; L98-Y113 HydrophobicContact CD1-CD2 4.07Å; L98-Y113 HydrophobicContact CD1-CE1 4.32Å; L98-Y113 HydrophobicContact CD1-CE2 4.06Å; L98-Y113 HydrophobicContact CD1-CG 4.22Å; L98-Y113 PolarHBondContact N-OH 3.32Å; L98-L153 HydrophobicContact CB-CD1 4.21Å; L98-L153 HydrophobicContact CD2-CB 4.26Å; L98-L153 HydrophobicContact CD2-CD1 3.82Å; L98-L153 HydrophobicContact CD2-CD2 3.86Å; L98-L153 HydrophobicContact CD2-CG 4.18Å; L98-R158 HydrophobicContact CD2-CB 3.82Å; L98-V159 HydrophobicContact CD1-CG1 3.83Å; L98-V159 HydrophobicContact CD2-CG1 3.78Å; L98-V159 HydrophobicContact CG-CG1 4.49Å
99N98.8Very high98.1Very high82 Ų8250.8 Ų50.844%0.43926%0.259SS..Hα-helixtrans-56-44.3176.9-82.3-28000111.7P95 V96 C97 Q103 R158P95-N99 VanDerWaalsContact O-CB 3.27Å; P95-N99 WeakPolarHBondContact O-CB 3.44Å; P95-N99 PolarHBondContact O-N 3.2Å; P95-N99 PolarHBondContact O-ND2 3.03Å; P95-N99 VanDerWaalsContact O-ND2 3.11Å; V96-N99 WeakPolarHBondContact O-CB 3.16Å; V96-N99 PolarHBondContact O-N 2.88Å; C97-N99 PolarHBondContact O-N 3.19Å; N99-Q103 WeakPolarHBondContact O-CB 3.44Å; N99-Q103 PolarHBondContact O-N 3.08Å; N99-R158 PolarHBondContact OD1-NH1 2.85Å; N99-R158 PolarHBondContact OD1-NH2 3.14Å
100R98.6Very high98.2Very high122 Ų12250.5 Ų50.546%0.4626%0.258SS..Hα-helixtrans-63.1-48.7177.3-177.867.373.6-163.98111.1F52 V96 C97 L98 L102 Q103 D104F52-R100 HydrophobicContact CD2-CB 4.25Å; F52-R100 HydrophobicContact CD2-CG 4.18Å; F52-R100 HydrophobicContact CE2-CB 3.89Å; F52-R100 HydrophobicContact CE2-CG 3.73Å; V96-R100 PolarHBondContact O-N 2.88Å; C97-R100 PolarHBondContact O-N 2.96Å; L98-R100 VanDerWaalsContact C-N 3.29Å; L98-R100 PolarHBondContact O-N 3.13Å; R100-L102 VanDerWaalsContact C-N 3.35Å; R100-L102 PolarHBondContact O-N 3.43Å; R100-Q103 WeakPolarHBondContact O-CB 3.34Å; R100-Q103 PolarHBondContact O-N 3.09Å; R100-D104 WeakPolarHBondContact O-CB 3.46Å; R100-D104 PolarHBondContact O-N 3.25Å
101S98.8Very high98.3Very high0 Ų048.7 Ų48.70%025%0.248CC..Hα-helixtrans-59.7-43.5179.2-70.40000112.4E57 S82 C97 L98 D104 L105E57-S101 PolarHBondContact OE1-OG 3.02Å; E57-S101 VanDerWaalsContact OE2-CA 3.3Å; E57-S101 WeakPolarHBondContact OE2-CA 3.45Å; E57-S101 WeakPolarHBondContact OE2-CB 3.29Å; E57-S101 PolarHBondContact OE2-OG 3.09Å; S82-S101 PolarHBondContact OG-OG 3.05Å; C97-S101 PolarHBondContact O-N 3.21Å; L98-S101 PolarHBondContact O-N 3.16Å; S101-D104 PolarHBondContact O-N 3.15Å; S101-L105 WeakPolarHBondContact O-CB 3.45Å; S101-L105 WeakPolarHBondContact O-CD1 3.23Å; S101-L105 WeakPolarHBondContact O-CG 3.34Å; S101-L105 PolarHBondContact O-N 2.69Å
102L98.8Very high98.5Very high13 Ų1344.2 Ų44.27%0.06822%0.219CC..Hα-helixtrans-63.1-41.9175.5-72.7177.9000112.6L98 R100 Q106 L107 L110L98-L102 HydrophobicContact CD1-CD1 4.35Å; L98-L102 HydrophobicContact CD1-CG 4.16Å; L98-L102 HydrophobicContact CD2-CD1 4.47Å; L98-L102 HydrophobicContact CG-CD1 4.08Å; L98-L102 HydrophobicContact CG-CG 4.3Å; L98-L102 WeakPolarHBondContact O-CG 3.22Å; L98-L102 PolarHBondContact O-N 2.92Å; R100-L102 VanDerWaalsContact C-N 3.35Å; R100-L102 PolarHBondContact O-N 3.43Å; L102-Q106 WeakPolarHBondContact O-CA 3.39Å; L102-Q106 PolarHBondContact O-N 3.22Å; L102-L107 WeakPolarHBondContact CB-O 3.45Å; L102-L107 HydrophobicContact CD2-CB 4.23Å; L102-L107 PolarHBondContact O-N 3.42Å; L102-L110 HydrophobicContact CD2-CD2 4.04Å; L102-L110 HydrophobicContact CD2-CG 3.82Å
103Q98.8Very high98.6Very high121 Ų12138 Ų3857%0.56519%0.191SC*.Hα-helixtrans-61.5-49.2176.3-179.6-178.16.600111.3N99 R100 Q106N99-Q103 WeakPolarHBondContact O-CB 3.44Å; N99-Q103 PolarHBondContact O-N 3.08Å; R100-Q103 WeakPolarHBondContact O-CB 3.34Å; R100-Q103 PolarHBondContact O-N 3.09Å; Q103-Q106 WeakPolarHBondContact O-CG 3.46Å; Q103-Q106 PolarHBondContact O-N 3.43Å; Q103-Q106 VanDerWaalsContact O-N 3.13Å
104D98.6Very high98.7Very high40 Ų4037.3 Ų37.321%0.21419%0.187CC..Hα-helixtrans-67.1-43.4-176.6-71.2-4.3000110.8E57 V58 R100 S101 Q106E57-D104 HydrophobicContact CB-CB 3.79Å; V58-D104 WeakPolarHBondContact CA-O 3.32Å; V58-D104 HydrophobicContact CG2-CB 3.71Å; R100-D104 WeakPolarHBondContact O-CB 3.46Å; R100-D104 PolarHBondContact O-N 3.25Å; S101-D104 PolarHBondContact O-N 3.15Å; D104-Q106 PolarHBondContact O-N 3.45Å
105L98.8Very high98.7Very high1 Ų137.1 Ų37.11%0.00519%0.186CC..Hα-helixtrans-70.9-14.6173.8-68168000113.3T50 E57 I60 G61 I80 S101 L107 L110T50-L105 HydrophobicContact CG2-CD1 4.26Å; T50-L105 HydrophobicContact CG2-CD2 4.21Å; E57-L105 HydrophobicContact CB-CD2 4.03Å; E57-L105 HydrophobicContact CB-CG 4.03Å; E57-L105 HydrophobicContact CG-CD2 4.22Å; E57-L105 HydrophobicContact CG-CG 4.28Å; I60-L105 HydrophobicContact CB-CD2 3.94Å; I60-L105 HydrophobicContact CG2-CD2 3.7Å; G61-L105 WeakPolarHBondContact CA-O 3.49Å; I80-L105 HydrophobicContact CG2-CD1 4.1Å; S101-L105 WeakPolarHBondContact O-CB 3.45Å; S101-L105 WeakPolarHBondContact O-CD1 3.23Å; S101-L105 WeakPolarHBondContact O-CG 3.34Å; S101-L105 PolarHBondContact O-N 2.69Å; L105-L107 HydrophobicContact CB-CB 4.44Å; L105-L107 HydrophobicContact CB-CD1 3.92Å; L105-L107 HydrophobicContact CB-CG 3.9Å; L105-L107 HydrophobicContact CD1-CD1 4.41Å; L105-L110 HydrophobicContact CD1-CD2 3.69Å
106Q98.4Very high98.7Very high60 Ų6036 Ų3628%0.2818%0.176SC..THydrogen-bonded Turntrans58.846-176.7-62.5159.875.900112.2G61 L102 Q103 D104G61-Q106 VanDerWaalsContact C-NE2 3.34Å; L102-Q106 WeakPolarHBondContact O-CA 3.39Å; L102-Q106 PolarHBondContact O-N 3.22Å; Q103-Q106 WeakPolarHBondContact O-CG 3.46Å; Q103-Q106 PolarHBondContact O-N 3.43Å; Q103-Q106 VanDerWaalsContact O-N 3.13Å; D104-Q106 PolarHBondContact O-N 3.45Å
107L98.5Very high98.7Very high14 Ų1432.6 Ų32.67%0.07316%0.156CC..  trans-125.2152.8-177.1-61.3-179.5000111.4L64 M68 I80 L102 L105L64-L107 HydrophobicContact CD1-CD1 4.13Å; L64-L107 HydrophobicContact CD1-CD2 4.45Å; M68-L107 HydrophobicContact CE-CD2 4.33Å; I80-L107 HydrophobicContact CB-CD1 4.23Å; I80-L107 HydrophobicContact CG1-CD1 4.01Å; I80-L107 HydrophobicContact CG2-CD1 4.02Å; L102-L107 WeakPolarHBondContact CB-O 3.45Å; L102-L107 HydrophobicContact CD2-CB 4.23Å; L102-L107 PolarHBondContact O-N 3.42Å; L105-L107 HydrophobicContact CB-CB 4.44Å; L105-L107 HydrophobicContact CB-CD1 3.92Å; L105-L107 HydrophobicContact CB-CG 3.9Å; L105-L107 HydrophobicContact CD1-CD1 4.41Å
108D98.2Very high98.7Very high153 Ų15332.6 Ų32.682%0.81816%0.156SC*.SBendtrans-85-25.3174.8-57.6-51.5000113
109Y98.7Very high98.7Very high38 Ų3832.6 Ų32.615%0.14916%0.156CC..  trans-149.9159.2-179.373.7-87000112.4R75 D111 R158 R160R75-Y109 HydrophobicContact CG-CE1 3.88Å; R75-Y109 VanDerWaalsContact CZ-CZ 3.44Å; R75-Y109 PolarHBondContact NH1-OH 2.86Å; R75-Y109 PolarHBondContact NH2-O 2.86Å; Y109-D111 WeakPolarHBondContact CE2-OD1 3.29Å; Y109-R158 VanDerWaalsContact CA-O 3.3Å; Y109-R158 WeakPolarHBondContact CA-O 3.41Å; Y109-R158 WeakPolarHBondContact CB-O 3.21Å; Y109-R160 HydrophobicContact CD2-CG 3.78Å; Y109-R160 HydrophobicContact CE2-CG 3.89Å
110L98.9Very high98.6Very high0 Ų028.7 Ų28.70%014%0.135CC..EExtended strand (participates in β ladder)trans-104.6148.4167.5-60.1177.1000111.2I80 L98 L102 L105 Y113 R158 V159 R160I80-L110 HydrophobicContact CG2-CD2 3.99Å; L98-L110 HydrophobicContact CD1-CD1 3.46Å; L98-L110 VanDerWaalsContact CD1-CD1 3.46Å; L98-L110 HydrophobicContact CD1-CG 4.12Å; L102-L110 HydrophobicContact CD2-CD2 4.04Å; L102-L110 HydrophobicContact CD2-CG 3.82Å; L105-L110 HydrophobicContact CD1-CD2 3.69Å; L110-Y113 HydrophobicContact CD1-CD2 3.52Å; L110-Y113 HydrophobicContact CD1-CE2 4.16Å; L110-Y113 HydrophobicContact CD1-CG 4.21Å; L110-R158 PolarHBondContact N-O 3.14Å; L110-V159 HydrophobicContact CB-CG1 4.23Å; L110-V159 CarbonylContact O-C 3.57Å; L110-V159 WeakPolarHBondContact O-CA 3.47Å; L110-R160 PolarHBondContact O-N 2.97Å
111D98.9Very high98.6Very high18 Ų1823.1 Ų23.110%0.09611%0.114CC..EExtended strand (participates in β ladder)trans-77.7-33.4175.5-58.4-81.1000111.3R75 F79 I80 Y109 S161R75-D111 IonicContact CZ-OD2 2.63Å; R75-D111 IonicContact NH1-OD1 3.63Å; R75-D111 IonicContact NH1-OD2 3.72Å; R75-D111 PolarHBondContact NH1-OD2 2.83Å; R75-D111 IonicContact NH2-OD1 3.94Å; R75-D111 IonicContact NH2-OD2 3.61Å; R75-D111 PolarHBondContact NH2-OD2 3.27Å; F79-D111 WeakPolarHBondContact CA-OD2 3.15Å; F79-D111 HydrophobicContact CB-CB 4.45Å; F79-D111 HydrophobicContact CD1-CB 4.22Å; F79-D111 HydrophobicContact CD2-CB 3.69Å; F79-D111 HydrophobicContact CE1-CB 4.4Å; F79-D111 HydrophobicContact CE2-CB 3.89Å; F79-D111 HydrophobicContact CG-CB 3.87Å; F79-D111 HydrophobicContact CZ-CB 4.24Å; I80-D111 PolarHBondContact N-OD2 2.91Å; I80-D111 PolarHBondContact O-N 3Å; Y109-D111 WeakPolarHBondContact CE2-OD1 3.29Å; D111-S161 VanDerWaalsContact O-CB 3.28Å; D111-S161 WeakPolarHBondContact O-CB 3.25Å; D111-S161 PolarHBondContact O-N 3.25Å; D111-S161 PolarHBondContact O-OG 3.06Å
112L98.9Very high98.5Very high0 Ų028.9 Ų28.90%014%0.139CC..EExtended strand (participates in β ladder)trans-143.4132.5175.6178.563.3000110.7M17 F79 I80 V81 S82 L114 S161 V185M17-L112 HydrophobicContact CE-CD2 4.36Å; M17-L112 HydrophobicContact SD-CD2 4.5Å; F79-L112 HydrophobicContact CE1-CB 3.68Å; F79-L112 HydrophobicContact CE1-CD2 3.96Å; F79-L112 HydrophobicContact CZ-CB 3.76Å; F79-L112 HydrophobicContact CZ-CD2 4.22Å; I80-L112 PolarHBondContact O-N 2.83Å; V81-L112 WeakPolarHBondContact CA-O 3.28Å; V81-L112 HydrophobicContact CB-CB 4.47Å; V81-L112 HydrophobicContact CG1-CB 4.2Å; V81-L112 HydrophobicContact CG1-CD2 3.95Å; V81-L112 HydrophobicContact CG1-CG 4.04Å; V81-L112 HydrophobicContact CG2-CB 4.08Å; V81-L112 HydrophobicContact CG2-CD2 3.97Å; V81-L112 HydrophobicContact CG2-CG 4.48Å; S82-L112 PolarHBondContact N-O 2.94Å; L112-L114 HydrophobicContact CD1-CD2 3.68Å; L112-L114 HydrophobicContact CD2-CD2 3.85Å; L112-L114 HydrophobicContact CD2-CG 4.34Å; L112-L114 HydrophobicContact CG-CD2 3.63Å; L112-L114 HydrophobicContact CG-CG 4.11Å; L112-S161 WeakPolarHBondContact CA-O 3.26Å; L112-V185 HydrophobicContact CD1-CB 4.31Å; L112-V185 HydrophobicContact CD1-CG2 4.16Å; L112-V185 HydrophobicContact CD2-CB 4Å; L112-V185 HydrophobicContact CD2-CG1 4.21Å; L112-V185 HydrophobicContact CD2-CG2 3.73Å
113Y98.9Very high98.2Very high0 Ų032.4 Ų32.40%015%0.154CC..EExtended strand (participates in β ladder)trans-122.3126.8171.7-164.9-128000110.8S82 L84 L98 L110 L150 L153 V159 S161 I162 G163S82-Y113 WeakPolarHBondContact O-CA 3.38Å; S82-Y113 WeakPolarHBondContact O-CD2 3.19Å; L84-Y113 WeakPolarHBondContact CA-OH 3.23Å; L84-Y113 HydrophobicContact CB-CE1 3.85Å; L98-Y113 HydrophobicContact CB-CE1 4.17Å; L98-Y113 HydrophobicContact CD1-CD1 4.34Å; L98-Y113 HydrophobicContact CD1-CD2 4.07Å; L98-Y113 HydrophobicContact CD1-CE1 4.32Å; L98-Y113 HydrophobicContact CD1-CE2 4.06Å; L98-Y113 HydrophobicContact CD1-CG 4.22Å; L98-Y113 PolarHBondContact N-OH 3.32Å; L110-Y113 HydrophobicContact CD1-CD2 3.52Å; L110-Y113 HydrophobicContact CD1-CE2 4.16Å; L110-Y113 HydrophobicContact CD1-CG 4.21Å; Y113-L150 HydrophobicContact CD1-CD2 4.37Å; Y113-L150 HydrophobicContact CD1-CG 4.15Å; Y113-L153 HydrophobicContact CD1-CD1 4.25Å; Y113-L153 HydrophobicContact CE1-CD1 4.1Å; Y113-V159 HydrophobicContact CG-CG1 4.24Å; Y113-S161 PolarHBondContact N-O 3.42Å; Y113-S161 VanDerWaalsContact N-O 3.09Å; Y113-I162 WeakPolarHBondContact O-CA 3.28Å; Y113-G163 PolarHBondContact O-N 3.45Å
114L99Very high97.9Very high0 Ų030.2 Ų30.20%015%0.152CC..EExtended strand (participates in β ladder)trans-111141.4-172.4-54.9179.9000112.5V81 S82 K83 L84 L112 H116 G163 V185 Q187V81-L114 HydrophobicContact CG1-CD1 3.81Å; V81-L114 HydrophobicContact CG1-CG 3.97Å; S82-L114 PolarHBondContact O-N 3.36Å; K83-L114 CarbonylContact C-O 3.48Å; K83-L114 VanDerWaalsContact CA-O 3.25Å; K83-L114 WeakPolarHBondContact CA-O 3.46Å; K83-L114 HydrophobicContact CB-CB 4.34Å; K83-L114 HydrophobicContact CD-CD1 4.41Å; K83-L114 HydrophobicContact CG-CB 4.1Å; K83-L114 HydrophobicContact CG-CD1 4.37Å; L84-L114 PolarHBondContact N-O 3.18Å; L112-L114 HydrophobicContact CD1-CD2 3.68Å; L112-L114 HydrophobicContact CD2-CD2 3.85Å; L112-L114 HydrophobicContact CD2-CG 4.34Å; L112-L114 HydrophobicContact CG-CD2 3.63Å; L112-L114 HydrophobicContact CG-CG 4.11Å; L114-H116 PolarHBondContact O-N 2.9Å; L114-G163 CarbonylContact C-O 3.54Å; L114-G163 VanDerWaalsContact CA-O 3.23Å; L114-G163 WeakPolarHBondContact CA-O 3.35Å; L114-G163 VanDerWaalsContact CD2-CA 3.47Å; L114-V185 HydrophobicContact CD2-CB 4.41Å; L114-Q187 HydrophobicContact CD1-CB 3.87Å
115I98.9Very high97.6Very high0 Ų031 Ų310%017%0.17CC..EExtended strand (participates in β ladder)trans-67.2116.6154.4-58-177.4000107.1F89 F117 V146 W147 L150 G163 V164 S165 F167F89-I115 HydrophobicContact CE1-CG2 4.12Å; F89-I115 HydrophobicContact CZ-CG2 3.62Å; I115-F117 WeakPolarHBondContact CG2-O 3.25Å; I115-F117 PolarHBondContact O-N 3.08Å; I115-V146 HydrophobicContact CD1-CB 4.04Å; I115-V146 HydrophobicContact CD1-CG1 3.73Å; I115-V146 HydrophobicContact CG1-CG1 4.01Å; I115-W147 HydrophobicContact CD1-CB 4.35Å; I115-W147 HydrophobicContact CD1-CE3 3.86Å; I115-W147 HydrophobicContact CG1-CE3 4.39Å; I115-L150 HydrophobicContact CD1-CD1 4.44Å; I115-L150 HydrophobicContact CG1-CD1 3.91Å; I115-L150 HydrophobicContact CG1-CD2 3.75Å; I115-L150 HydrophobicContact CG1-CG 4.49Å; I115-G163 PolarHBondContact N-O 2.65Å; I115-V164 HydrophobicContact CB-CG1 4.4Å; I115-V164 HydrophobicContact CD1-CG1 4.46Å; I115-V164 CarbonylContact O-C 3.58Å; I115-S165 WeakPolarHBondContact O-CB 3.27Å; I115-S165 PolarHBondContact O-N 3.35Å; I115-F167 HydrophobicContact CB-CE2 4.3Å; I115-F167 HydrophobicContact CB-CZ 4.42Å; I115-F167 HydrophobicContact CD1-CZ 4.38Å; I115-F167 HydrophobicContact CG2-CE2 4.03Å; I115-F167 HydrophobicContact CG2-CZ 4.17Å
116H98.8Very high97.2Very high19 Ų1937.1 Ų37.19%0.08820%0.202CC..  trans-69.5-33.6-170.1-154.2148.1000113.2A51 S53 Y54 K83 L84 W85 L114 S165 N166A51-H116 VanDerWaalsContact CB-CE1 3.43Å; A51-H116 WeakPolarHBondContact CB-CE1 3.33Å; S53-H116 PolarHBondContact OG-CE1 2.84Å; S53-H116 VanDerWaalsContact OG-CE1 3.27Å; Y54-H116 AromaticContact CE1-CE1 3.51Å; Y54-H116 AromaticContact CE1-NE2 3.93Å; Y54-H116 AromaticContact CZ-CE1 3.92Å; K83-H116 HydrophobicContact CB-CB 3.82Å; K83-H116 WeakPolarHBondContact CB-ND1 3.3Å; K83-H116 HydrophobicContact CD-CB 4.44Å; L84-H116 WeakPolarHBondContact O-CB 3.41Å; L84-H116 PolarHBondContact O-N 2.84Å; L84-H116 VanDerWaalsContact O-N 3.08Å; W85-H116 HydrophobicContact CE3-CB 3.99Å; W85-H116 AromaticContact CE3-CE1 3.77Å; W85-H116 AromaticContact CE3-CG 3.65Å; W85-H116 AromaticContact CE3-ND1 3.26Å; W85-H116 VanDerWaalsContact CE3-ND1 3.26Å; W85-H116 HydrophobicContact CZ3-CB 4.35Å; W85-H116 AromaticContact CZ3-CD2 3.96Å; W85-H116 AromaticContact CZ3-CE1 3.57Å; W85-H116 AromaticContact CZ3-CG 3.71Å; W85-H116 AromaticContact CZ3-ND1 3.48Å; W85-H116 WeakPolarHBondContact CZ3-ND1 3.47Å; W85-H116 AromaticContact CZ3-NE2 3.89Å; L114-H116 PolarHBondContact O-N 2.9Å; H116-S165 CarbonylContact C-O 3.46Å; H116-S165 VanDerWaalsContact O-CB 3.3Å; H116-S165 WeakPolarHBondContact O-CB 3.3Å; H116-S165 PolarHBondContact O-OG 2.77Å; H116-N166 PolarHBondContact O-ND2 2.57Å
117F98.4Very high97Very high4 Ų437.7 Ų37.72%0.01821%0.207CC..  trans-153.9147.1178.9-154.4-94.8000109F89 I115 V119 N166 L308 I311 P318 F319F89-F117 WeakPolarHBondContact CZ-O 3.32Å; I115-F117 WeakPolarHBondContact CG2-O 3.25Å; I115-F117 PolarHBondContact O-N 3.08Å; F117-V119 HydrophobicContact CD1-CB 3.86Å; F117-V119 HydrophobicContact CD1-CG2 3.93Å; F117-V119 HydrophobicContact CE1-CB 4.22Å; F117-V119 HydrophobicContact CE1-CG2 3.86Å; F117-V119 PolarHBondContact O-N 3.02Å; F117-V119 VanDerWaalsContact O-N 3.1Å; F117-N166 HydrophobicContact CD2-CB 3.47Å; F117-N166 VanDerWaalsContact CD2-CB 3.47Å; F117-N166 HydrophobicContact CE2-CB 3.57Å; F117-N166 HydrophobicContact CG-CB 4.32Å; F117-N166 HydrophobicContact CZ-CB 4.49Å; F117-L308 HydrophobicContact CD2-CD1 4.05Å; F117-L308 HydrophobicContact CE2-CD1 3.84Å; F117-L308 HydrophobicContact CG-CD1 4.49Å; F117-L308 HydrophobicContact CZ-CD1 4.09Å; F117-I311 HydrophobicContact CD1-CD1 3.98Å; F117-I311 HydrophobicContact CE1-CD1 3.48Å; F117-I311 VanDerWaalsContact CE1-CD1 3.48Å; F117-I311 HydrophobicContact CZ-CD1 4.2Å; F117-P318 VanDerWaalsContact CE1-CD 3.48Å; F117-P318 HydrophobicContact CE1-CG 3.87Å; F117-P318 HydrophobicContact CE2-CG 4.06Å; F117-P318 VanDerWaalsContact CZ-CD 3.45Å; F117-P318 HydrophobicContact CZ-CG 3.45Å; F117-P318 VanDerWaalsContact CZ-CG 3.45Å; F117-F319 AromaticContact CE2-CE2 3.83Å; F117-F319 HydrophobicContact CE2-CE2 3.83Å; F117-F319 AromaticContact CE2-CZ 3.83Å; F117-F319 HydrophobicContact CE2-CZ 3.83Å; F117-F319 AromaticContact CZ-CE2 3.82Å; F117-F319 HydrophobicContact CZ-CE2 3.82Å; F117-F319 HydrophobicContact CZ-CZ 4.13Å
118P98.1Very high96.9Very high0 Ų037.9 Ų37.90%021%0.208CC..SBendtrans-72.20.5-177.126-35000115.4Y143 N166 F167 Y316 P318P118-Y143 HydrophobicContact CB-CD1 4.16Å; P118-N166 WeakPolarHBondContact CD-O 3.16Å; P118-F167 HydrophobicContact CB-CD2 3.91Å; P118-F167 HydrophobicContact CB-CE1 4.33Å; P118-F167 HydrophobicContact CB-CE2 3.57Å; P118-F167 HydrophobicContact CB-CG 4.46Å; P118-F167 HydrophobicContact CB-CZ 3.81Å; P118-F167 HydrophobicContact CG-CD2 4.12Å; P118-F167 HydrophobicContact CG-CE2 4.18Å; P118-Y316 WeakPolarHBondContact CG-O 3.23Å; P118-Y316 WeakPolarHBondContact O-CB 3.44Å; P118-P318 HydrophobicContact CG-CB 3.89Å; P118-P318 HydrophobicContact CG-CG 3.86Å
119V98.4Very high96.7Very high0 Ų034.3 Ų34.30%019%0.186CC..SBendtrans-113.4121.6-176.3-179.50000110.1C86 F117 F121 T138 I311 H314 Y316C86-V119 VanDerWaalsContact CB-O 3.31Å; C86-V119 WeakPolarHBondContact CB-O 3.38Å; C86-V119 PolarHBondContact SG-O 2.92Å; C86-V119 VanDerWaalsContact SG-O 3.36Å; F117-V119 HydrophobicContact CD1-CB 3.86Å; F117-V119 HydrophobicContact CD1-CG2 3.93Å; F117-V119 HydrophobicContact CE1-CB 4.22Å; F117-V119 HydrophobicContact CE1-CG2 3.86Å; F117-V119 PolarHBondContact O-N 3.02Å; F117-V119 VanDerWaalsContact O-N 3.1Å; V119-F121 HydrophobicContact CG1-CD1 4.42Å; V119-F121 HydrophobicContact CG1-CE1 4.12Å; V119-T138 HydrophobicContact CG1-CG2 3.78Å; V119-I311 HydrophobicContact CB-CD1 4Å; V119-I311 HydrophobicContact CG1-CD1 4.12Å; V119-I311 HydrophobicContact CG2-CD1 4.13Å; V119-H314 HydrophobicContact CG1-CB 4.07Å; V119-H314 HydrophobicContact CG2-CB 4.27Å; V119-Y316 VanDerWaalsContact CG2-O 3.3Å; V119-Y316 WeakPolarHBondContact CG2-O 3.01Å
120G97.7Very high96.6Very high0 Ų032.7 Ų32.70%018%0.18CC..EExtended strand (participates in β ladder)trans-77.6150.4173.700000112.3C86 T138 S139C86-G120 CarbonylContact O-C 3.52Å; C86-G120 WeakPolarHBondContact O-CA 3.49Å; G120-T138 CarbonylContact O-C 3.43Å; G120-T138 WeakPolarHBondContact O-CA 3.36Å; G120-S139 PolarHBondContact O-N 3.18Å
121F97.8Very high96.4Very high4 Ų438.6 Ų38.62%0.01820%0.202CC..EExtended strand (participates in β ladder)trans-115.6147.7174.3-60-16.5000109.9W85 C86 T87 V119 K123 F129 P130 I136 V137 T138 I311W85-F121 HydrophobicContact CZ2-CE2 4.2Å; C86-F121 HydrophobicContact CB-CB 4.13Å; C86-F121 HydrophobicContact CB-CD1 3.95Å; C86-F121 HydrophobicContact CB-CD2 3.44Å; C86-F121 VanDerWaalsContact CB-CD2 3.44Å; C86-F121 HydrophobicContact CB-CE1 4.12Å; C86-F121 HydrophobicContact CB-CE2 3.67Å; C86-F121 HydrophobicContact CB-CG 3.57Å; C86-F121 HydrophobicContact CB-CZ 3.99Å; C86-F121 PolarHBondContact O-N 3.44Å; T87-F121 HydrophobicContact CG2-CB 3.76Å; T87-F121 HydrophobicContact CG2-CD2 4.31Å; V119-F121 HydrophobicContact CG1-CD1 4.42Å; V119-F121 HydrophobicContact CG1-CE1 4.12Å; F121-K123 PolarHBondContact O-N 2.86Å; F121-F129 HydrophobicContact CE2-CD1 4.27Å; F121-P130 HydrophobicContact CB-CG 3.91Å; F121-I136 HydrophobicContact CD1-CG2 3.6Å; F121-I136 HydrophobicContact CD2-CG2 3.95Å; F121-I136 HydrophobicContact CE1-CG2 3.76Å; F121-I136 HydrophobicContact CE2-CD1 4.47Å; F121-I136 HydrophobicContact CE2-CG2 4.07Å; F121-I136 HydrophobicContact CG-CG2 3.75Å; F121-I136 HydrophobicContact CZ-CD1 4.33Å; F121-I136 HydrophobicContact CZ-CG2 3.99Å; F121-V137 WeakPolarHBondContact CA-O 3.46Å; F121-T138 HydrophobicContact CD1-CG2 4.28Å; F121-T138 HydrophobicContact CE1-CG2 4.49Å; F121-I311 HydrophobicContact CE1-CD1 4.03Å; F121-I311 HydrophobicContact CE1-CG2 3.99Å; F121-I311 HydrophobicContact CZ-CD1 4.27Å
122K96.3Very high96.1Very high121 Ų12144.5 Ų44.553%0.52623%0.227SC..  trans-69.6117.3177.9-70.8-161.2-175.6-175.90110.9S124 P130 V137 T138K122-S124 PolarHBondContact O-N 3.24Å; K122-P130 VanDerWaalsContact O-CB 3.27Å; K122-P130 WeakPolarHBondContact O-CB 3.31Å; K122-P130 WeakPolarHBondContact O-CG 3.3Å; K122-V137 HydrophobicContact CB-CB 4.41Å; K122-V137 HydrophobicContact CB-CG1 4.04Å; K122-V137 HydrophobicContact CD-CG1 3.63Å; K122-V137 HydrophobicContact CG-CG1 3.82Å; K122-V137 PolarHBondContact N-O 3.41Å; K122-T138 WeakPolarHBondContact CE-O 3.45Å; K122-T138 WeakPolarHBondContact CG-O 3.04Å
123K93.9Very high95.7Very high87 Ų8751.6 Ų51.638%0.37827%0.265SS..  trans-58.6131177.6-168.9170.4-179-175.60111.8D93 F121D93-K123 IonicContact OD1-NZ 2.72Å; D93-K123 PolarHBondContact OD1-NZ 2.95Å; D93-K123 WeakPolarHBondContact OD2-CD 3.37Å; D93-K123 IonicContact OD2-NZ 2.85Å; D93-K123 PolarHBondContact OD2-NZ 3.47Å; F121-K123 PolarHBondContact O-N 2.86Å
124S92.1Very high95.1Very high75 Ų7554.4 Ų54.452%0.52429%0.294SS..  trans-140.286.2175.91780000109.1K122 D126 D127K122-S124 PolarHBondContact O-N 3.24Å; S124-D126 PolarHBondContact O-N 3.27Å; S124-D127 WeakPolarHBondContact O-CB 3.49Å; S124-D127 PolarHBondContact O-N 3.02Å
125G91.1Very high94.6Very high57 Ų5761.2 Ų61.259%0.58832%0.324SS*.THydrogen-bonded Turntrans57.7-130.8-17100000111.2
126D90.8Very high94.5Very high130 Ų13061.8 Ų61.870%0.69533%0.327SS*.THydrogen-bonded Turntrans-94.66.5178.9-72.5-37.2000113.9R55 S124 L128R55-D126 PolarHBondContact NH2-O 3.19Å; S124-D126 PolarHBondContact O-N 3.27Å; D126-L128 PolarHBondContact O-N 2.77Å
127D94.9Very high94.4Very high72 Ų7262.9 Ų62.939%0.38533%0.334SS..  trans-66.4124.9178.7-169.5-2.8000110.6S124 F129 P130S124-D127 WeakPolarHBondContact O-CB 3.49Å; S124-D127 PolarHBondContact O-N 3.02Å; D127-F129 PolarHBondContact OD1-N 3.3Å; D127-P130 WeakPolarHBondContact OD2-CA 3.07Å
128L95.3Very high94.3Very high18 Ų1864.5 Ų64.59%0.09434%0.344CS..SBendtrans-81.5-22.2178.6-64.7177.8000112.2F52 S53 R55 W85 D126 P130F52-L128 HydrophobicContact CD1-CD2 4.12Å; F52-L128 HydrophobicContact CE1-CD2 3.73Å; S53-L128 WeakPolarHBondContact O-CD1 3.3Å; R55-L128 HydrophobicContact CG-CD1 4.02Å; W85-L128 HydrophobicContact CG-CD2 4.24Å; W85-L128 PolarHBondContact NE1-O 3.3Å; D126-L128 PolarHBondContact O-N 2.77Å; L128-P130 VanDerWaalsContact C-CD 3.48Å
129F95.1Very high94.2Very high77 Ų7765.5 Ų65.534%0.33835%0.351SS..SBendtrans-132.366-177.7-61.9-84.8000109.4W85 F121 D127 R131 I136W85-F129 HydrophobicContact CH2-CE1 4.06Å; W85-F129 AromaticContact CH2-CZ 3.87Å; W85-F129 HydrophobicContact CH2-CZ 3.87Å; W85-F129 HydrophobicContact CZ2-CD1 4.31Å; W85-F129 AromaticContact CZ2-CE1 3.53Å; W85-F129 HydrophobicContact CZ2-CE1 3.53Å; W85-F129 HydrophobicContact CZ2-CE2 4.12Å; W85-F129 AromaticContact CZ2-CZ 3.41Å; W85-F129 HydrophobicContact CZ2-CZ 3.41Å; W85-F129 VanDerWaalsContact CZ2-CZ 3.41Å; F121-F129 HydrophobicContact CE2-CD1 4.27Å; D127-F129 PolarHBondContact OD1-N 3.3Å; F129-R131 WeakPolarHBondContact O-CG 3.31Å; F129-R131 PolarHBondContact O-N 2.86Å; F129-I136 HydrophobicContact CD1-CD1 3.98Å
130P95.9Very high94.1Very high5 Ų572.1 Ų72.13%0.03239%0.387CS..  trans-56.3121.3-179.226.7-37.7000109.9T87 F121 K122 D127 L128 I136 V137T87-P130 HydrophobicContact CG2-CG 4.17Å; F121-P130 HydrophobicContact CB-CG 3.91Å; K122-P130 VanDerWaalsContact O-CB 3.27Å; K122-P130 WeakPolarHBondContact O-CB 3.31Å; K122-P130 WeakPolarHBondContact O-CG 3.3Å; D127-P130 WeakPolarHBondContact OD2-CA 3.07Å; L128-P130 VanDerWaalsContact C-CD 3.48Å; P130-I136 CarbonylContact O-C 3.14Å; P130-I136 WeakPolarHBondContact O-CA 3.08Å; P130-V137 PolarHBondContact O-N 2.55Å
131R94.1Very high94.1Very high123 Ų12373.3 Ų73.346%0.46439%0.394SS..EExtended strand (participates in β ladder)trans-117.9142.5-173.5-80.3166.4-175-73.8-5.4113F129 G134 K135 E310F129-R131 WeakPolarHBondContact O-CG 3.31Å; F129-R131 PolarHBondContact O-N 2.86Å; R131-G134 PolarHBondContact NH1-O 3.11Å; R131-K135 CarbonylContact C-O 3.57Å; R131-K135 VanDerWaalsContact CA-O 3.23Å; R131-K135 WeakPolarHBondContact CA-O 3.49Å; R131-E310 IonicContact CZ-OE1 2.92Å; R131-E310 IonicContact CZ-OE2 3.47Å; R131-E310 VanDerWaalsContact CZ-OE2 3.27Å; R131-E310 IonicContact NH1-OE1 3.61Å; R131-E310 PolarHBondContact NH1-OE1 3.29Å; R131-E310 IonicContact NH1-OE2 3.27Å; R131-E310 PolarHBondContact NH1-OE2 3.15Å; R131-E310 IonicContact NH2-OE1 2.72Å; R131-E310 PolarHBondContact NH2-OE1 2.97Å; R131-E310 IonicContact NH2-OE2 3.82Å; R131-E310 PolarHBondContact NH2-OE2 3.29Å; R131-E310 VanDerWaalsContact NH2-OE2 3.13Å
132K92.9Very high94.1Very high143 Ų14374.3 Ų74.362%0.62240%0.4SS*.EExtended strand (participates in β ladder)trans-137.2131166.2-173.1-179.9175.8-178.30108.4G134 K135 V137K132-G134 PolarHBondContact O-N 2.91Å; K132-K135 PolarHBondContact N-O 2.88Å; K132-K135 PolarHBondContact O-N 2.91Å; K132-V137 HydrophobicContact CB-CG2 3.55Å
133D90.6Very high94.2Very high149 Ų14968.8 Ų68.880%0.79738%0.376SS*.THydrogen-bonded Turntrans52.339.6-179.8-52.3-41.5000113.3K135D133-K135 VanDerWaalsContact C-N 3.27Å; D133-K135 PolarHBondContact O-N 2.95Å
134G86.3Confident94.4Very high59 Ų5964.9 Ų64.961%0.60836%0.359SS*.THydrogen-bonded Turntrans78.4-1.9178.700000115.7R131 K132R131-G134 PolarHBondContact NH1-O 3.11Å; K132-G134 PolarHBondContact O-N 2.91Å
135K89.9Confident94.7Very high143 Ų14365 Ų6562%0.62235%0.354SS*.EExtended strand (participates in β ladder)trans-112.5148.6179.9-62.4-176.1-179.8-176.80112R131 K132 D133R131-K135 CarbonylContact C-O 3.57Å; R131-K135 VanDerWaalsContact CA-O 3.23Å; R131-K135 WeakPolarHBondContact CA-O 3.49Å; K132-K135 PolarHBondContact N-O 2.88Å; K132-K135 PolarHBondContact O-N 2.91Å; D133-K135 VanDerWaalsContact C-N 3.27Å; D133-K135 PolarHBondContact O-N 2.95Å
136I95.3Very high95.1Very high12 Ų1262.2 Ų62.26%0.06233%0.326CS..EExtended strand (participates in β ladder)trans-61.4134.5169.2-65.8166.4000109.5F121 F129 P130 E310 I311F121-I136 HydrophobicContact CD1-CG2 3.6Å; F121-I136 HydrophobicContact CD2-CG2 3.95Å; F121-I136 HydrophobicContact CE1-CG2 3.76Å; F121-I136 HydrophobicContact CE2-CD1 4.47Å; F121-I136 HydrophobicContact CE2-CG2 4.07Å; F121-I136 HydrophobicContact CG-CG2 3.75Å; F121-I136 HydrophobicContact CZ-CD1 4.33Å; F121-I136 HydrophobicContact CZ-CG2 3.99Å; F129-I136 HydrophobicContact CD1-CD1 3.98Å; P130-I136 CarbonylContact O-C 3.14Å; P130-I136 WeakPolarHBondContact O-CA 3.08Å; I136-E310 HydrophobicContact CD1-CB 4.45Å; I136-I311 HydrophobicContact CB-CG2 3.88Å; I136-I311 HydrophobicContact CD1-CG2 4.25Å; I136-I311 HydrophobicContact CG2-CG2 3.95Å
137V96.4Very high95.4Very high41 Ų4156.1 Ų56.125%0.24829%0.293CS..  trans-90.2109.1175.8-169.30000109.1F121 K122 P130 K132F121-V137 WeakPolarHBondContact CA-O 3.46Å; K122-V137 HydrophobicContact CB-CB 4.41Å; K122-V137 HydrophobicContact CB-CG1 4.04Å; K122-V137 HydrophobicContact CD-CG1 3.63Å; K122-V137 HydrophobicContact CG-CG1 3.82Å; K122-V137 PolarHBondContact N-O 3.41Å; P130-V137 PolarHBondContact O-N 2.55Å; K132-V137 HydrophobicContact CB-CG2 3.55Å
138T97.2Very high95.6Very high38 Ų3858.3 Ų58.323%0.23330%0.296CS..EExtended strand (participates in β ladder)trans-81.9155.5179.457.50000112.5V119 G120 F121 K122 I311V119-T138 HydrophobicContact CG1-CG2 3.78Å; G120-T138 CarbonylContact O-C 3.43Å; G120-T138 WeakPolarHBondContact O-CA 3.36Å; F121-T138 HydrophobicContact CD1-CG2 4.28Å; F121-T138 HydrophobicContact CE1-CG2 4.49Å; K122-T138 WeakPolarHBondContact CE-O 3.45Å; K122-T138 WeakPolarHBondContact CG-O 3.04Å; T138-I311 HydrophobicContact CG2-CB 4.11Å; T138-I311 HydrophobicContact CG2-CG2 3.66Å
139S96.3Very high95.8Very high21 Ų2158.4 Ų58.415%0.14730%0.301CS..EExtended strand (participates in β ladder)trans-103.6149168.7-174.50000109.7G120 T141 H314G120-S139 PolarHBondContact O-N 3.18Å; S139-T141 PolarHBondContact O-N 2.8Å; S139-T141 PolarHBondContact OG-N 3.4Å; S139-T141 PolarHBondContact OG-OG1 2.89Å; S139-H314 PolarHBondContact O-NE2 3.35Å; S139-H314 VanDerWaalsContact O-NE2 3.14Å
140D95.8Very high96Very high140 Ų14054.7 Ų54.775%0.74929%0.285SS*.  trans-83.77.6176.6-57.4-38.7000112.6D142D140-D142 PolarHBondContact O-N 2.63Å
141T97.1Very high96.1Very high25 Ų2555.4 Ų55.415%0.15329%0.287CS..  trans-59.1127.5-180-49.20000110.6F89 S139 V146F89-T141 HydrophobicContact CB-CG2 4Å; S139-T141 PolarHBondContact O-N 2.8Å; S139-T141 PolarHBondContact OG-N 3.4Å; S139-T141 PolarHBondContact OG-OG1 2.89Å; T141-V146 HydrophobicContact CG2-CG2 4.07Å
142D98.3Very high96.3Very high25 Ų2552.4 Ų52.413%0.13429%0.289CS..  trans-74.5129.2-179.2-161.6-43.1000111.6D140 V144 D145 V146 R174 Y316D140-D142 PolarHBondContact O-N 2.63Å; D142-V144 PolarHBondContact O-N 3.13Å; D142-V144 VanDerWaalsContact O-N 3.08Å; D142-V144 WeakPolarHBondContact OD1-CB 3.47Å; D142-V144 PolarHBondContact OD1-N 2.88Å; D142-D145 WeakPolarHBondContact O-CB 3.37Å; D142-D145 PolarHBondContact O-N 3Å; D142-V146 PolarHBondContact O-N 2.95Å; D142-R174 IonicContact OD1-CZ 3.09Å; D142-R174 IonicContact OD1-NH1 2.72Å; D142-R174 PolarHBondContact OD1-NH1 3.14Å; D142-R174 IonicContact OD1-NH2 3.52Å; D142-R174 IonicContact OD2-CZ 3.37Å; D142-R174 IonicContact OD2-NH1 3.22Å; D142-R174 PolarHBondContact OD2-NH1 2.81Å; D142-R174 IonicContact OD2-NH2 3.84Å; D142-R174 PolarHBondContact OD2-NH2 2.92Å; D142-Y316 PolarHBondContact OD2-OH 3.09Å
143Y98.4Very high96.6Very high5 Ų546.2 Ų46.22%0.0226%0.262CS..Hα-helixtrans-61.3-19.3176.861.9-104.3000113.1P118 W147 F167 Q171 R174 L175 Y316P118-Y143 HydrophobicContact CB-CD1 4.16Å; Y143-W147 WeakPolarHBondContact O-CB 3.35Å; Y143-W147 PolarHBondContact O-N 3.21Å; Y143-F167 AromaticContact CD2-CE1 3.55Å; Y143-F167 HydrophobicContact CD2-CE1 3.55Å; Y143-F167 HydrophobicContact CD2-CZ 4.06Å; Y143-F167 AromaticContact CE2-CE1 3.99Å; Y143-F167 HydrophobicContact CE2-CE1 3.99Å; Y143-F167 AromaticContact CG-CE1 3.93Å; Y143-F167 HydrophobicContact CG-CE1 3.93Å; Y143-F167 HydrophobicContact CG-CZ 4.03Å; Y143-Q171 HydrophobicContact CE1-CG 4.18Å; Y143-Q171 WeakPolarHBondContact OH-CA 3.3Å; Y143-R174 WeakPolarHBondContact OH-CD 3.34Å; Y143-R174 PolarHBondContact OH-NH1 3.34Å; Y143-L175 HydrophobicContact CE2-CB 4.44Å; Y143-Y316 HydrophobicContact CD1-CD1 4.17Å; Y143-Y316 AromaticContact CD1-CD2 3.83Å; Y143-Y316 HydrophobicContact CD1-CD2 3.83Å; Y143-Y316 HydrophobicContact CD1-CE2 4.3Å; Y143-Y316 AromaticContact CD1-CG 3.78Å; Y143-Y316 HydrophobicContact CD1-CG 3.78Å; Y143-Y316 AromaticContact CE1-CD1 3.7Å; Y143-Y316 HydrophobicContact CE1-CD1 3.7Å; Y143-Y316 HydrophobicContact CE1-CD2 4.21Å; Y143-Y316 HydrophobicContact CE1-CE1 4.07Å; Y143-Y316 AromaticContact CE1-CG 3.78Å; Y143-Y316 HydrophobicContact CE1-CG 3.78Å
144V98.6Very high97Very high4 Ų440.9 Ų40.92%0.02423%0.233CC..Hα-helixtrans-71.7-35.5172.4175.30000111.5D142 W147 R148 L175 L178D142-V144 PolarHBondContact O-N 3.13Å; D142-V144 VanDerWaalsContact O-N 3.08Å; D142-V144 WeakPolarHBondContact OD1-CB 3.47Å; D142-V144 PolarHBondContact OD1-N 2.88Å; V144-W147 WeakPolarHBondContact O-CB 3.31Å; V144-W147 PolarHBondContact O-N 3.09Å; V144-R148 WeakPolarHBondContact O-CG 3.44Å; V144-R148 PolarHBondContact O-N 3.4Å; V144-L175 HydrophobicContact CG2-CD1 4.21Å; V144-L178 HydrophobicContact CG1-CB 3.92Å; V144-L178 HydrophobicContact CG1-CD1 4.06Å; V144-L178 HydrophobicContact CG2-CD1 4.06Å
145D98.3Very high97.5Very high77 Ų7742.4 Ų42.441%0.41224%0.24SC..Hα-helixtrans-68.8-39.9173.2-71.1-42.6000111D142 W147 R148 G149D142-D145 WeakPolarHBondContact O-CB 3.37Å; D142-D145 PolarHBondContact O-N 3Å; D145-W147 VanDerWaalsContact C-N 3.29Å; D145-W147 PolarHBondContact O-N 3.37Å; D145-R148 WeakPolarHBondContact O-CB 3.45Å; D145-R148 PolarHBondContact O-N 3.46Å; D145-R148 IonicContact OD1-CZ 3.53Å; D145-R148 IonicContact OD1-NH1 2.79Å; D145-R148 PolarHBondContact OD1-NH1 3.35Å; D145-G149 PolarHBondContact O-N 2.9Å
146V98.8Very high97.9Very high0 Ų039 Ų390%024%0.238CC..Hα-helixtrans-60.1-42.2172.7-176.20000110.9L84 F89 I94 I115 T141 D142 R148 G149 L150L84-V146 HydrophobicContact CD2-CG1 3.35Å; F89-V146 HydrophobicContact CB-CG2 3.83Å; F89-V146 HydrophobicContact CD1-CG1 4.28Å; F89-V146 HydrophobicContact CD1-CG2 4.2Å; F89-V146 HydrophobicContact CD2-CG2 3.55Å; F89-V146 HydrophobicContact CE1-CG1 4.27Å; F89-V146 HydrophobicContact CE2-CG2 4.03Å; F89-V146 HydrophobicContact CG-CG2 3.62Å; F89-V146 HydrophobicContact CZ-CG2 4.5Å; I94-V146 HydrophobicContact CD1-CG1 4.12Å; I115-V146 HydrophobicContact CD1-CB 4.04Å; I115-V146 HydrophobicContact CD1-CG1 3.73Å; I115-V146 HydrophobicContact CG1-CG1 4.01Å; T141-V146 HydrophobicContact CG2-CG2 4.07Å; D142-V146 PolarHBondContact O-N 2.95Å; V146-R148 VanDerWaalsContact C-N 3.33Å; V146-R148 PolarHBondContact O-N 3.28Å; V146-G149 WeakPolarHBondContact O-CA 3.45Å; V146-G149 PolarHBondContact O-N 3.4Å; V146-L150 HydrophobicContact CG1-CD1 4.16Å; V146-L150 WeakPolarHBondContact O-CD1 3.23Å; V146-L150 PolarHBondContact O-N 3.49Å; V146-L150 VanDerWaalsContact O-N 3.15Å
147W98.9Very high98Very high1 Ų140.4 Ų40.40%0.00426%0.256CS..Hα-helixtrans-59.2-41.8177.1-172.9-103.2000112.8I115 Y143 V144 D145 G149 L150 E151 I162 G163 V164 L175 C179 V181 P183I115-W147 HydrophobicContact CD1-CB 4.35Å; I115-W147 HydrophobicContact CD1-CE3 3.86Å; I115-W147 HydrophobicContact CG1-CE3 4.39Å; Y143-W147 WeakPolarHBondContact O-CB 3.35Å; Y143-W147 PolarHBondContact O-N 3.21Å; V144-W147 WeakPolarHBondContact O-CB 3.31Å; V144-W147 PolarHBondContact O-N 3.09Å; D145-W147 VanDerWaalsContact C-N 3.29Å; D145-W147 PolarHBondContact O-N 3.37Å; W147-G149 PolarHBondContact O-N 2.91Å; W147-L150 HydrophobicContact CE3-CD2 4.32Å; W147-L150 HydrophobicContact CZ3-CD2 4.14Å; W147-L150 WeakPolarHBondContact O-CA 3.32Å; W147-L150 WeakPolarHBondContact O-CB 3.5Å; W147-L150 PolarHBondContact O-N 2.94Å; W147-E151 PolarHBondContact NE1-OE1 3.46Å; W147-E151 VanDerWaalsContact NE1-OE1 3.17Å; W147-E151 WeakPolarHBondContact O-CG 3.23Å; W147-E151 PolarHBondContact O-N 3.28Å; W147-I162 HydrophobicContact CH2-CB 3.94Å; W147-I162 HydrophobicContact CH2-CD1 3.8Å; W147-I162 HydrophobicContact CH2-CG1 3.65Å; W147-I162 HydrophobicContact CZ2-CB 4.49Å; W147-I162 HydrophobicContact CZ2-CD1 3.48Å; W147-I162 VanDerWaalsContact CZ2-CD1 3.48Å; W147-I162 HydrophobicContact CZ2-CG1 3.73Å; W147-I162 HydrophobicContact CZ3-CB 4.44Å; W147-G163 WeakPolarHBondContact CZ3-O 3.46Å; W147-V164 HydrophobicContact CE3-CG1 3.91Å; W147-V164 HydrophobicContact CZ3-CG1 3.61Å; W147-L175 HydrophobicContact CB-CD1 3.7Å; W147-L175 HydrophobicContact CD2-CD1 4.02Å; W147-L175 HydrophobicContact CD2-CD2 3.97Å; W147-L175 HydrophobicContact CD2-CG 4.44Å; W147-L175 HydrophobicContact CE3-CD2 4.03Å; W147-L175 HydrophobicContact CG-CD1 3.52Å; W147-L175 HydrophobicContact CG-CD2 4.36Å; W147-L175 HydrophobicContact CG-CG 4.4Å; W147-L175 HydrophobicContact CZ3-CD2 4.5Å; W147-C179 VanDerWaalsContact NE1-CB 3.31Å; W147-V181 VanDerWaalsContact CZ2-O 3.29Å; W147-V181 WeakPolarHBondContact CZ2-O 3.39Å; W147-V181 PolarHBondContact NE1-O 3.4Å; W147-P183 VanDerWaalsContact CH2-CA 3.47Å; W147-P183 HydrophobicContact CH2-CB 3.52Å; W147-P183 HydrophobicContact CZ2-CB 3.96Å; W147-P183 HydrophobicContact CZ3-CB 4.19Å
148R98.8Very high98Very high119 Ų11941 Ų4145%0.44925%0.254SS..Hα-helixtrans-58.9-34.1174.8-67.4169.6-178.3141.82.8111.9V144 D145 V146 E151 A152V144-R148 WeakPolarHBondContact O-CG 3.44Å; V144-R148 PolarHBondContact O-N 3.4Å; D145-R148 WeakPolarHBondContact O-CB 3.45Å; D145-R148 PolarHBondContact O-N 3.46Å; D145-R148 IonicContact OD1-CZ 3.53Å; D145-R148 IonicContact OD1-NH1 2.79Å; D145-R148 PolarHBondContact OD1-NH1 3.35Å; V146-R148 VanDerWaalsContact C-N 3.33Å; V146-R148 PolarHBondContact O-N 3.28Å; R148-E151 PolarHBondContact O-N 2.63Å; R148-A152 PolarHBondContact O-N 3.43Å; R148-A152 VanDerWaalsContact O-N 3.1Å
149G98.6Very high98.1Very high19 Ų1939.3 Ų39.320%0.19624%0.243CC..Hα-helixtrans-62.6-45.1170.900000112.6D145 V146 W147 A152 L153D145-G149 PolarHBondContact O-N 2.9Å; V146-G149 WeakPolarHBondContact O-CA 3.45Å; V146-G149 PolarHBondContact O-N 3.4Å; W147-G149 PolarHBondContact O-N 2.91Å; G149-A152 PolarHBondContact O-N 3.2Å; G149-L153 WeakPolarHBondContact O-CG 3.4Å; G149-L153 PolarHBondContact O-N 3.27Å
150L98.8Very high98.2Very high0 Ų044 Ų440%026%0.257CS..Hα-helixtrans-63.9-40.6175.4-87.373.8000112.3L84 I94 Y113 I115 V146 W147 A152 L153 Q154 I162L84-L150 HydrophobicContact CD2-CD1 3.84Å; I94-L150 HydrophobicContact CG2-CD1 4.37Å; Y113-L150 HydrophobicContact CD1-CD2 4.37Å; Y113-L150 HydrophobicContact CD1-CG 4.15Å; I115-L150 HydrophobicContact CD1-CD1 4.44Å; I115-L150 HydrophobicContact CG1-CD1 3.91Å; I115-L150 HydrophobicContact CG1-CD2 3.75Å; I115-L150 HydrophobicContact CG1-CG 4.49Å; V146-L150 HydrophobicContact CG1-CD1 4.16Å; V146-L150 WeakPolarHBondContact O-CD1 3.23Å; V146-L150 PolarHBondContact O-N 3.49Å; V146-L150 VanDerWaalsContact O-N 3.15Å; W147-L150 HydrophobicContact CE3-CD2 4.32Å; W147-L150 HydrophobicContact CZ3-CD2 4.14Å; W147-L150 WeakPolarHBondContact O-CA 3.32Å; W147-L150 WeakPolarHBondContact O-CB 3.5Å; W147-L150 PolarHBondContact O-N 2.94Å; L150-A152 VanDerWaalsContact C-N 3.29Å; L150-A152 PolarHBondContact O-N 3.22Å; L150-L153 PolarHBondContact O-N 2.98Å; L150-Q154 PolarHBondContact O-N 3.32Å; L150-I162 HydrophobicContact CB-CB 4.33Å; L150-I162 HydrophobicContact CB-CD1 4.21Å; L150-I162 HydrophobicContact CB-CG2 4.06Å; L150-I162 HydrophobicContact CD2-CB 4.27Å; L150-I162 HydrophobicContact CD2-CG2 4.37Å
151E98.8Very high98.3Very high20 Ų2037.3 Ų37.39%0.09322%0.222CC..Hα-helixtrans-57.7-42.5174-68.5179.9154.800111.4W147 R148 Q154 A155 I162 R180 V181W147-E151 PolarHBondContact NE1-OE1 3.46Å; W147-E151 VanDerWaalsContact NE1-OE1 3.17Å; W147-E151 WeakPolarHBondContact O-CG 3.23Å; W147-E151 PolarHBondContact O-N 3.28Å; R148-E151 PolarHBondContact O-N 2.63Å; E151-Q154 PolarHBondContact O-N 3.24Å; E151-A155 WeakPolarHBondContact O-CB 3.29Å; E151-A155 PolarHBondContact O-N 3.39Å; E151-I162 HydrophobicContact CG-CD1 3.96Å; E151-R180 WeakPolarHBondContact OE1-CA 3.42Å; E151-R180 PolarHBondContact OE1-N 3.4Å; E151-V181 HydrophobicContact CG-CB 4.24Å; E151-V181 HydrophobicContact CG-CG2 4.35Å; E151-V181 PolarHBondContact OE1-N 3.36Å
152A98.6Very high98.4Very high60 Ų6036.2 Ų36.250%0.49622%0.215SC..Hα-helixtrans-65.2-39.6176.500000112.4R148 G149 L150 Q154 A155 A156R148-A152 PolarHBondContact O-N 3.43Å; R148-A152 VanDerWaalsContact O-N 3.1Å; G149-A152 PolarHBondContact O-N 3.2Å; L150-A152 VanDerWaalsContact C-N 3.29Å; L150-A152 PolarHBondContact O-N 3.22Å; A152-Q154 VanDerWaalsContact C-N 3.35Å; A152-A155 PolarHBondContact O-N 2.68Å; A152-A156 WeakPolarHBondContact O-CB 3.39Å; A152-A156 PolarHBondContact O-N 3.35Å
153L98.6Very high98.4Very high12 Ų1235 Ų356%0.06321%0.209CC..Hα-helixtrans-64.4-39.1175.8-67.4175.9000112.2I94 P95 L98 Y113 G149 L150 A156 R158 V159I94-L153 HydrophobicContact CG2-CD1 3.61Å; I94-L153 HydrophobicContact CG2-CG 4.4Å; P95-L153 HydrophobicContact CB-CD2 4.18Å; L98-L153 HydrophobicContact CB-CD1 4.21Å; L98-L153 HydrophobicContact CD2-CB 4.26Å; L98-L153 HydrophobicContact CD2-CD1 3.82Å; L98-L153 HydrophobicContact CD2-CD2 3.86Å; L98-L153 HydrophobicContact CD2-CG 4.18Å; Y113-L153 HydrophobicContact CD1-CD1 4.25Å; Y113-L153 HydrophobicContact CE1-CD1 4.1Å; G149-L153 WeakPolarHBondContact O-CG 3.4Å; G149-L153 PolarHBondContact O-N 3.27Å; L150-L153 PolarHBondContact O-N 2.98Å; L153-A156 PolarHBondContact O-N 2.9Å; L153-R158 PolarHBondContact O-N 2.96Å; L153-V159 HydrophobicContact CB-CG2 4.21Å
154Q98.6Very high98.5Very high37 Ų3734.8 Ų34.817%0.17321%0.208CC..Hα-helixtrans-67.6-46.8176.1-168.4-170.532.100111.2L150 E151 A152 A156 G157 V159 R160 I162L150-Q154 PolarHBondContact O-N 3.32Å; E151-Q154 PolarHBondContact O-N 3.24Å; A152-Q154 VanDerWaalsContact C-N 3.35Å; Q154-A156 PolarHBondContact O-N 2.94Å; Q154-G157 WeakPolarHBondContact O-CA 3.5Å; Q154-G157 PolarHBondContact O-N 3.42Å; Q154-V159 HydrophobicContact CB-CG2 3.86Å; Q154-V159 HydrophobicContact CG-CG2 4.36Å; Q154-R160 PolarHBondContact NE2-O 3.28Å; Q154-I162 HydrophobicContact CB-CG2 4Å; Q154-I162 HydrophobicContact CG-CG2 4.47Å
155A98.4Very high98.5Very high92 Ų9234.6 Ų34.676%0.7621%0.207SC*.Hα-helixtrans-59.7-31.9176.800000112.4E151 A152 G157E151-A155 WeakPolarHBondContact O-CB 3.29Å; E151-A155 PolarHBondContact O-N 3.39Å; A152-A155 PolarHBondContact O-N 2.68Å; A155-G157 PolarHBondContact O-N 2.93Å
156A97.7Very high98.5Very high71 Ų7131.3 Ų31.359%0.58719%0.189SC*.THydrogen-bonded Turntrans-760.9173.700000114.1A152 L153 Q154 R158A152-A156 WeakPolarHBondContact O-CB 3.39Å; A152-A156 PolarHBondContact O-N 3.35Å; L153-A156 PolarHBondContact O-N 2.9Å; Q154-A156 PolarHBondContact O-N 2.94Å; A156-R158 HydrophobicContact CB-CG 4.08Å; A156-R158 PolarHBondContact O-N 3.45Å
157G96.5Very high98.5Very high42 Ų4231.5 Ų31.543%0.43319%0.19SC..THydrogen-bonded Turntrans73.21117800000114.9Q154 A155Q154-G157 WeakPolarHBondContact O-CA 3.5Å; Q154-G157 PolarHBondContact O-N 3.42Å; A155-G157 PolarHBondContact O-N 2.93Å
158R96.9Very high98.5Very high53 Ų5332.7 Ų32.720%0.220%0.198CC..SBendtrans-81.9-22.1-176.5-57.3-169.459.3-160.6-13.4113.2L98 N99 Y109 L110 L153 A156L98-R158 HydrophobicContact CD2-CB 3.82Å; N99-R158 PolarHBondContact OD1-NH1 2.85Å; N99-R158 PolarHBondContact OD1-NH2 3.14Å; Y109-R158 VanDerWaalsContact CA-O 3.3Å; Y109-R158 WeakPolarHBondContact CA-O 3.41Å; Y109-R158 WeakPolarHBondContact CB-O 3.21Å; L110-R158 PolarHBondContact N-O 3.14Å; L153-R158 PolarHBondContact O-N 2.96Å; A156-R158 HydrophobicContact CB-CG 4.08Å; A156-R158 PolarHBondContact O-N 3.45Å
159V98.5Very high98.4Very high2 Ų228.9 Ų28.91%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-136.2140175.8-57.90000108L98 L110 Y113 L153 Q154 I162L98-V159 HydrophobicContact CD1-CG1 3.83Å; L98-V159 HydrophobicContact CD2-CG1 3.78Å; L98-V159 HydrophobicContact CG-CG1 4.49Å; L110-V159 HydrophobicContact CB-CG1 4.23Å; L110-V159 CarbonylContact O-C 3.57Å; L110-V159 WeakPolarHBondContact O-CA 3.47Å; Y113-V159 HydrophobicContact CG-CG1 4.24Å; L153-V159 HydrophobicContact CB-CG2 4.21Å; Q154-V159 HydrophobicContact CB-CG2 3.86Å; Q154-V159 HydrophobicContact CG-CG2 4.36Å; V159-I162 HydrophobicContact CG2-CG2 3.58Å
160R98.6Very high98.4Very high119 Ų11934.2 Ų34.245%0.44921%0.212SC..EExtended strand (participates in β ladder)trans-79.8-51.3-179-60.3-63.9-177.5-177.7-1111.3Y109 L110 Q154Y109-R160 HydrophobicContact CD2-CG 3.78Å; Y109-R160 HydrophobicContact CE2-CG 3.89Å; L110-R160 PolarHBondContact O-N 2.97Å; Q154-R160 PolarHBondContact NE2-O 3.28Å
161S98.9Very high98.4Very high0 Ų034.7 Ų34.70%021%0.214CC..EExtended strand (participates in β ladder)trans-118.9150.7178.9-30.50000109.6D13 N15 D111 L112 Y113D13-S161 WeakPolarHBondContact OD2-CA 3.37Å; D13-S161 WeakPolarHBondContact OD2-CB 3.43Å; D13-S161 PolarHBondContact OD2-OG 3.45Å; N15-S161 PolarHBondContact ND2-OG 3.48Å; N15-S161 VanDerWaalsContact ND2-OG 3.1Å; D111-S161 VanDerWaalsContact O-CB 3.28Å; D111-S161 WeakPolarHBondContact O-CB 3.25Å; D111-S161 PolarHBondContact O-N 3.25Å; D111-S161 PolarHBondContact O-OG 3.06Å; L112-S161 WeakPolarHBondContact CA-O 3.26Å; Y113-S161 PolarHBondContact N-O 3.42Å; Y113-S161 VanDerWaalsContact N-O 3.09Å
162I98.9Very high98.4Very high2 Ų233.8 Ų33.81%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-123.5147.5172.254.9173.3000110.1Y113 W147 L150 E151 Q154 V159 V181 A184Y113-I162 WeakPolarHBondContact O-CA 3.28Å; W147-I162 HydrophobicContact CH2-CB 3.94Å; W147-I162 HydrophobicContact CH2-CD1 3.8Å; W147-I162 HydrophobicContact CH2-CG1 3.65Å; W147-I162 HydrophobicContact CZ2-CB 4.49Å; W147-I162 HydrophobicContact CZ2-CD1 3.48Å; W147-I162 VanDerWaalsContact CZ2-CD1 3.48Å; W147-I162 HydrophobicContact CZ2-CG1 3.73Å; W147-I162 HydrophobicContact CZ3-CB 4.44Å; L150-I162 HydrophobicContact CB-CB 4.33Å; L150-I162 HydrophobicContact CB-CD1 4.21Å; L150-I162 HydrophobicContact CB-CG2 4.06Å; L150-I162 HydrophobicContact CD2-CB 4.27Å; L150-I162 HydrophobicContact CD2-CG2 4.37Å; E151-I162 HydrophobicContact CG-CD1 3.96Å; Q154-I162 HydrophobicContact CB-CG2 4Å; Q154-I162 HydrophobicContact CG-CG2 4.47Å; V159-I162 HydrophobicContact CG2-CG2 3.58Å; I162-V181 HydrophobicContact CD1-CB 4.3Å; I162-V181 HydrophobicContact CD1-CG1 4.31Å; I162-V181 HydrophobicContact CG1-CG1 4.45Å; I162-A184 WeakPolarHBondContact O-CB 3.47Å; I162-A184 PolarHBondContact O-N 2.76Å
163G98.9Very high98.4Very high0 Ų035 Ų350%021%0.205CC..EExtended strand (participates in β ladder)trans-157.7-172.8-178.400000112.6Y113 L114 I115 W147 V185Y113-G163 PolarHBondContact O-N 3.45Å; L114-G163 CarbonylContact C-O 3.54Å; L114-G163 VanDerWaalsContact CA-O 3.23Å; L114-G163 WeakPolarHBondContact CA-O 3.35Å; L114-G163 VanDerWaalsContact CD2-CA 3.47Å; I115-G163 PolarHBondContact N-O 2.65Å; W147-G163 WeakPolarHBondContact CZ3-O 3.46Å; G163-V185 CarbonylContact C-O 3.44Å; G163-V185 VanDerWaalsContact CA-O 3.28Å; G163-V185 WeakPolarHBondContact CA-O 3.17Å
164V98.9Very high98.4Very high0 Ų038.4 Ų38.40%022%0.217CC..EExtended strand (participates in β ladder)trans-127.4167.4-178.6-62.90000110.7I115 W147 F167 L172 L175 P183 V185 N186 Q187I115-V164 HydrophobicContact CB-CG1 4.4Å; I115-V164 HydrophobicContact CD1-CG1 4.46Å; I115-V164 CarbonylContact O-C 3.58Å; W147-V164 HydrophobicContact CE3-CG1 3.91Å; W147-V164 HydrophobicContact CZ3-CG1 3.61Å; V164-F167 HydrophobicContact CB-CB 4.37Å; V164-F167 HydrophobicContact CB-CD1 4.11Å; V164-F167 HydrophobicContact CB-CD2 3.58Å; V164-F167 HydrophobicContact CB-CE1 4.27Å; V164-F167 HydrophobicContact CB-CE2 3.74Å; V164-F167 HydrophobicContact CB-CG 3.77Å; V164-F167 HydrophobicContact CB-CZ 4.08Å; V164-F167 HydrophobicContact CG1-CD1 4.09Å; V164-F167 HydrophobicContact CG1-CD2 4.21Å; V164-F167 HydrophobicContact CG1-CE1 3.86Å; V164-F167 HydrophobicContact CG1-CE2 3.98Å; V164-F167 HydrophobicContact CG1-CG 4.26Å; V164-F167 HydrophobicContact CG1-CZ 3.79Å; V164-F167 HydrophobicContact CG2-CB 3.83Å; V164-F167 HydrophobicContact CG2-CD1 4.11Å; V164-F167 HydrophobicContact CG2-CD2 4.02Å; V164-F167 HydrophobicContact CG2-CG 3.73Å; V164-L172 HydrophobicContact CG2-CD2 3.72Å; V164-L175 HydrophobicContact CG1-CD2 3.93Å; V164-P183 HydrophobicContact CG2-CB 4.43Å; V164-V185 PolarHBondContact N-O 3.3Å; V164-N186 HydrophobicContact CG2-CB 3.89Å; V164-N186 CarbonylContact O-C 3.54Å; V164-N186 VanDerWaalsContact O-CA 3.27Å; V164-N186 WeakPolarHBondContact O-CA 3.44Å; V164-Q187 PolarHBondContact O-N 3.37Å
165S98.9Very high98.4Very high1 Ų136.6 Ų36.61%0.00721%0.209CC..EExtended strand (participates in β ladder)trans-141.5139.3175-179.50000109I115 H116 F167 Q187I115-S165 WeakPolarHBondContact O-CB 3.27Å; I115-S165 PolarHBondContact O-N 3.35Å; H116-S165 CarbonylContact C-O 3.46Å; H116-S165 VanDerWaalsContact O-CB 3.3Å; H116-S165 WeakPolarHBondContact O-CB 3.3Å; H116-S165 PolarHBondContact O-OG 2.77Å; S165-F167 VanDerWaalsContact C-N 3.32Å; S165-F167 WeakPolarHBondContact O-CD2 3.4Å; S165-F167 PolarHBondContact O-N 3.47Å; S165-Q187 CarbonylContact C-O 3.47Å; S165-Q187 WeakPolarHBondContact CA-O 3.36Å; S165-Q187 PolarHBondContact OG-O 3.08Å
166N98.6Very high98.5Very high8 Ų834.4 Ų34.44%0.04318%0.184CC..SBendtrans63.330.4-176.5-54.3-77.2000114.3H116 F117 P118 Q187 Y213 P318 F319H116-N166 PolarHBondContact O-ND2 2.57Å; F117-N166 HydrophobicContact CD2-CB 3.47Å; F117-N166 VanDerWaalsContact CD2-CB 3.47Å; F117-N166 HydrophobicContact CE2-CB 3.57Å; F117-N166 HydrophobicContact CG-CB 4.32Å; F117-N166 HydrophobicContact CZ-CB 4.49Å; P118-N166 WeakPolarHBondContact CD-O 3.16Å; N166-Q187 PolarHBondContact N-O 2.81Å; N166-Y213 VanDerWaalsContact OD1-CE1 3.29Å; N166-Y213 WeakPolarHBondContact OD1-CE1 3.3Å; N166-Y213 PolarHBondContact OD1-OH 2.99Å; N166-P318 HydrophobicContact CB-CG 4.38Å; N166-P318 WeakPolarHBondContact O-CB 3.43Å; N166-P318 WeakPolarHBondContact O-CG 3.38Å; N166-F319 HydrophobicContact CB-CE1 4.38Å; N166-F319 HydrophobicContact CB-CZ 4.09Å
167F98.8Very high98.5Very high3 Ų334.9 Ų34.91%0.01319%0.188CC..  trans-91.7136.1177.1-83.9-131.4000111.1I115 P118 Y143 V164 S165 Q171 L172 L175 N186I115-F167 HydrophobicContact CB-CE2 4.3Å; I115-F167 HydrophobicContact CB-CZ 4.42Å; I115-F167 HydrophobicContact CD1-CZ 4.38Å; I115-F167 HydrophobicContact CG2-CE2 4.03Å; I115-F167 HydrophobicContact CG2-CZ 4.17Å; P118-F167 HydrophobicContact CB-CD2 3.91Å; P118-F167 HydrophobicContact CB-CE1 4.33Å; P118-F167 HydrophobicContact CB-CE2 3.57Å; P118-F167 HydrophobicContact CB-CG 4.46Å; P118-F167 HydrophobicContact CB-CZ 3.81Å; P118-F167 HydrophobicContact CG-CD2 4.12Å; P118-F167 HydrophobicContact CG-CE2 4.18Å; Y143-F167 AromaticContact CD2-CE1 3.55Å; Y143-F167 HydrophobicContact CD2-CE1 3.55Å; Y143-F167 HydrophobicContact CD2-CZ 4.06Å; Y143-F167 AromaticContact CE2-CE1 3.99Å; Y143-F167 HydrophobicContact CE2-CE1 3.99Å; Y143-F167 AromaticContact CG-CE1 3.93Å; Y143-F167 HydrophobicContact CG-CE1 3.93Å; Y143-F167 HydrophobicContact CG-CZ 4.03Å; V164-F167 HydrophobicContact CB-CB 4.37Å; V164-F167 HydrophobicContact CB-CD1 4.11Å; V164-F167 HydrophobicContact CB-CD2 3.58Å; V164-F167 HydrophobicContact CB-CE1 4.27Å; V164-F167 HydrophobicContact CB-CE2 3.74Å; V164-F167 HydrophobicContact CB-CG 3.77Å; V164-F167 HydrophobicContact CB-CZ 4.08Å; V164-F167 HydrophobicContact CG1-CD1 4.09Å; V164-F167 HydrophobicContact CG1-CD2 4.21Å; V164-F167 HydrophobicContact CG1-CE1 3.86Å; V164-F167 HydrophobicContact CG1-CE2 3.98Å; V164-F167 HydrophobicContact CG1-CG 4.26Å; V164-F167 HydrophobicContact CG1-CZ 3.79Å; V164-F167 HydrophobicContact CG2-CB 3.83Å; V164-F167 HydrophobicContact CG2-CD1 4.11Å; V164-F167 HydrophobicContact CG2-CD2 4.02Å; V164-F167 HydrophobicContact CG2-CG 3.73Å; S165-F167 VanDerWaalsContact C-N 3.32Å; S165-F167 WeakPolarHBondContact O-CD2 3.4Å; S165-F167 PolarHBondContact O-N 3.47Å; F167-Q171 HydrophobicContact CB-CB 4.41Å; F167-Q171 HydrophobicContact CD1-CB 3.84Å; F167-Q171 HydrophobicContact CG-CB 4.38Å; F167-L172 HydrophobicContact CB-CD2 3.99Å; F167-L172 HydrophobicContact CB-CG 4.07Å; F167-L172 HydrophobicContact CD1-CD2 4.42Å; F167-L175 HydrophobicContact CE1-CD2 4.3Å; F167-N186 PolarHBondContact N-OD1 2.94Å; F167-N186 PolarHBondContact O-ND2 2.76Å
168S98.3Very high98.6Very high26 Ų2636.9 Ų36.918%0.18219%0.188CC..  trans-80169.3172.876.70000112.1L170 Q171 L172 P318S168-L170 PolarHBondContact O-N 3.04Å; S168-Q171 PolarHBondContact O-N 3.24Å; S168-Q171 WeakPolarHBondContact OG-CG 3.16Å; S168-Q171 PolarHBondContact OG-N 3.1Å; S168-L172 WeakPolarHBondContact O-CG 3.4Å; S168-L172 PolarHBondContact O-N 3.26Å; S168-P318 WeakPolarHBondContact CB-O 3.35Å
169V98.5Very high98.7Very high40 Ų4035.6 Ų35.624%0.24219%0.187CC..Hα-helixtrans-56-49.5175.7172.90000111.2Q171 L172 E173 L199 F202V169-Q171 VanDerWaalsContact C-N 3.27Å; V169-Q171 PolarHBondContact O-N 3.05Å; V169-L172 PolarHBondContact O-N 2.99Å; V169-L172 VanDerWaalsContact O-N 3.14Å; V169-E173 HydrophobicContact CG1-CG 4.3Å; V169-E173 WeakPolarHBondContact O-CG 3.34Å; V169-E173 PolarHBondContact O-N 2.92Å; V169-L199 HydrophobicContact CG2-CB 4.38Å; V169-L199 HydrophobicContact CG2-CD1 3.87Å; V169-F202 HydrophobicContact CB-CG 4.49Å; V169-F202 HydrophobicContact CG1-CB 4.34Å; V169-F202 HydrophobicContact CG1-CD1 4.35Å; V169-F202 HydrophobicContact CG1-CD2 3.62Å; V169-F202 HydrophobicContact CG1-CE2 3.94Å; V169-F202 HydrophobicContact CG1-CG 3.83Å; V169-F202 HydrophobicContact CG1-CZ 4.46Å; V169-F202 HydrophobicContact CG2-CB 3.97Å; V169-F202 HydrophobicContact CG2-CD1 4.47Å; V169-F202 HydrophobicContact CG2-CG 4.13Å
170L98.3Very high98.7Very high130 Ų13046.4 Ų46.468%0.68123%0.228SC*.Hα-helixtrans-60.5-37.2-179.4-64.6176.4000112.5S168 R174S168-L170 PolarHBondContact O-N 3.04Å; L170-R174 WeakPolarHBondContact O-CB 3.44Å; L170-R174 PolarHBondContact O-N 2.91Å
171Q98.8Very high98.7Very high11 Ų1142.9 Ų42.95%0.05122%0.219CC..Hα-helixtrans-70.4-40.7177.4-68.1170.5-24.500111.8Y143 F167 S168 V169 R174 L175 Y316Y143-Q171 HydrophobicContact CE1-CG 4.18Å; Y143-Q171 WeakPolarHBondContact OH-CA 3.3Å; F167-Q171 HydrophobicContact CB-CB 4.41Å; F167-Q171 HydrophobicContact CD1-CB 3.84Å; F167-Q171 HydrophobicContact CG-CB 4.38Å; S168-Q171 PolarHBondContact O-N 3.24Å; S168-Q171 WeakPolarHBondContact OG-CG 3.16Å; S168-Q171 PolarHBondContact OG-N 3.1Å; V169-Q171 VanDerWaalsContact C-N 3.27Å; V169-Q171 PolarHBondContact O-N 3.05Å; Q171-R174 PolarHBondContact O-N 2.92Å; Q171-L175 WeakPolarHBondContact O-CB 3.22Å; Q171-L175 PolarHBondContact O-N 3.42Å; Q171-Y316 PolarHBondContact NE2-O 3.2Å
172L98.9Very high98.6Very high0 Ų045.4 Ų45.40%024%0.235CC..Hα-helixtrans-65.4-41.2174.4-69.3173.5000111.8V164 F167 S168 V169 L175 L176 P183 L199 F202 I208V164-L172 HydrophobicContact CG2-CD2 3.72Å; F167-L172 HydrophobicContact CB-CD2 3.99Å; F167-L172 HydrophobicContact CB-CG 4.07Å; F167-L172 HydrophobicContact CD1-CD2 4.42Å; S168-L172 WeakPolarHBondContact O-CG 3.4Å; S168-L172 PolarHBondContact O-N 3.26Å; V169-L172 PolarHBondContact O-N 2.99Å; V169-L172 VanDerWaalsContact O-N 3.14Å; L172-L175 PolarHBondContact O-N 3.38Å; L172-L176 WeakPolarHBondContact O-CB 3.38Å; L172-L176 VanDerWaalsContact O-CG 3.22Å; L172-L176 WeakPolarHBondContact O-CG 3.31Å; L172-L176 PolarHBondContact O-N 3.09Å; L172-P183 HydrophobicContact CD2-CG 4.29Å; L172-L199 HydrophobicContact CD1-CD1 3.88Å; L172-F202 HydrophobicContact CB-CD1 4.39Å; L172-F202 HydrophobicContact CB-CE1 3.54Å; L172-F202 HydrophobicContact CB-CZ 4.18Å; L172-F202 HydrophobicContact CD1-CD1 3.95Å; L172-F202 HydrophobicContact CD1-CE1 3.85Å; L172-F202 HydrophobicContact CG-CE1 4.37Å; L172-I208 HydrophobicContact CD2-CD1 4.44Å
173E98.6Very high98.6Very high85 Ų8545.3 Ų45.340%0.39724%0.235SC..Hα-helixtrans-58.9-48.4175.2-74.7-176.6142.900111.5V169 L175 L176 A177 F202V169-E173 HydrophobicContact CG1-CG 4.3Å; V169-E173 WeakPolarHBondContact O-CG 3.34Å; V169-E173 PolarHBondContact O-N 2.92Å; E173-L175 VanDerWaalsContact C-N 3.33Å; E173-L175 PolarHBondContact O-N 3.18Å; E173-L176 PolarHBondContact O-N 3.45Å; E173-A177 PolarHBondContact O-N 3.02Å; E173-A177 VanDerWaalsContact O-N 3.09Å; E173-F202 HydrophobicContact CB-CZ 4.49Å; E173-F202 HydrophobicContact CG-CE2 3.4Å; E173-F202 VanDerWaalsContact CG-CE2 3.4Å; E173-F202 HydrophobicContact CG-CZ 3.46Å; E173-F202 VanDerWaalsContact CG-CZ 3.46Å
174R98.7Very high98.6Very high84 Ų8445.3 Ų45.332%0.31724%0.235SC..Hα-helixtrans-60.9-42.9175.9178.2167178.6-88.3-3.2111.8D142 Y143 L170 Q171 A177 L178D142-R174 IonicContact OD1-CZ 3.09Å; D142-R174 IonicContact OD1-NH1 2.72Å; D142-R174 PolarHBondContact OD1-NH1 3.14Å; D142-R174 IonicContact OD1-NH2 3.52Å; D142-R174 IonicContact OD2-CZ 3.37Å; D142-R174 IonicContact OD2-NH1 3.22Å; D142-R174 PolarHBondContact OD2-NH1 2.81Å; D142-R174 IonicContact OD2-NH2 3.84Å; D142-R174 PolarHBondContact OD2-NH2 2.92Å; Y143-R174 WeakPolarHBondContact OH-CD 3.34Å; Y143-R174 PolarHBondContact OH-NH1 3.34Å; L170-R174 WeakPolarHBondContact O-CB 3.44Å; L170-R174 PolarHBondContact O-N 2.91Å; Q171-R174 PolarHBondContact O-N 2.92Å; R174-A177 PolarHBondContact O-N 2.9Å; R174-L178 HydrophobicContact CG-CD1 4.1Å; R174-L178 WeakPolarHBondContact O-CG 3.16Å
175L98.8Very high98.6Very high0 Ų045.3 Ų45.30%024%0.235CC..Hα-helixtrans-63.8-48.8178.9-177.458.7000111.5Y143 V144 W147 V164 F167 Q171 L172 E173 A177 L178 C179 P183Y143-L175 HydrophobicContact CE2-CB 4.44Å; V144-L175 HydrophobicContact CG2-CD1 4.21Å; W147-L175 HydrophobicContact CB-CD1 3.7Å; W147-L175 HydrophobicContact CD2-CD1 4.02Å; W147-L175 HydrophobicContact CD2-CD2 3.97Å; W147-L175 HydrophobicContact CD2-CG 4.44Å; W147-L175 HydrophobicContact CE3-CD2 4.03Å; W147-L175 HydrophobicContact CG-CD1 3.52Å; W147-L175 HydrophobicContact CG-CD2 4.36Å; W147-L175 HydrophobicContact CG-CG 4.4Å; W147-L175 HydrophobicContact CZ3-CD2 4.5Å; V164-L175 HydrophobicContact CG1-CD2 3.93Å; F167-L175 HydrophobicContact CE1-CD2 4.3Å; Q171-L175 WeakPolarHBondContact O-CB 3.22Å; Q171-L175 PolarHBondContact O-N 3.42Å; L172-L175 PolarHBondContact O-N 3.38Å; E173-L175 VanDerWaalsContact C-N 3.33Å; E173-L175 PolarHBondContact O-N 3.18Å; L175-A177 PolarHBondContact O-N 2.82Å; L175-L178 PolarHBondContact O-N 3.45Å; L175-C179 HydrophobicContact CD1-CB 4.28Å; L175-C179 HydrophobicContact CG-CB 4.49Å; L175-C179 WeakPolarHBondContact O-CB 3.48Å; L175-C179 PolarHBondContact O-N 3.1Å; L175-C179 PolarHBondContact O-SG 3.33Å; L175-C179 VanDerWaalsContact O-SG 3.34Å; L175-P183 HydrophobicContact CD2-CG 4.19Å
176L98.8Very high98.6Very high46 Ų4645.3 Ų45.324%0.24124%0.235CC..Hα-helixtrans-59.7-31.4179-74.4169.8000112.9L172 E173 L178 P182 F202 R206 I208L172-L176 WeakPolarHBondContact O-CB 3.38Å; L172-L176 VanDerWaalsContact O-CG 3.22Å; L172-L176 WeakPolarHBondContact O-CG 3.31Å; L172-L176 PolarHBondContact O-N 3.09Å; E173-L176 PolarHBondContact O-N 3.45Å; L176-L178 VanDerWaalsContact C-N 3.26Å; L176-L178 PolarHBondContact O-N 2.88Å; L176-P182 HydrophobicContact CD2-CB 3.8Å; L176-F202 HydrophobicContact CD1-CE1 4.26Å; L176-F202 HydrophobicContact CD1-CZ 4Å; L176-R206 HydrophobicContact CD1-CB 4.21Å; L176-R206 HydrophobicContact CD1-CG 3.88Å; L176-I208 HydrophobicContact CD1-CD1 4.11Å; L176-I208 HydrophobicContact CD2-CD1 4.38Å
177A98.6Very high98.6Very high80 Ų8045 Ų4566%0.66123%0.234SC*.Hα-helixtrans-71.8-19.4176.100000113.6E173 R174 L175E173-A177 PolarHBondContact O-N 3.02Å; E173-A177 VanDerWaalsContact O-N 3.09Å; R174-A177 PolarHBondContact O-N 2.9Å; L175-A177 PolarHBondContact O-N 2.82Å
178L98.6Very high98.6Very high84 Ų8445.1 Ų45.144%0.4423%0.234SC..Hα-helixtrans-122.4-18.9-169.1-63.4174.1000114.2V144 R174 L175 L176V144-L178 HydrophobicContact CG1-CB 3.92Å; V144-L178 HydrophobicContact CG1-CD1 4.06Å; V144-L178 HydrophobicContact CG2-CD1 4.06Å; R174-L178 HydrophobicContact CG-CD1 4.1Å; R174-L178 WeakPolarHBondContact O-CG 3.16Å; L175-L178 PolarHBondContact O-N 3.45Å; L176-L178 VanDerWaalsContact C-N 3.26Å; L176-L178 PolarHBondContact O-N 2.88Å
179C98.3Very high98.6Very high27 Ų2744.1 Ų44.118%0.18223%0.227CC..  trans-76.5154.8179.167.40000112.1W147 L175 V181W147-C179 VanDerWaalsContact NE1-CB 3.31Å; L175-C179 HydrophobicContact CD1-CB 4.28Å; L175-C179 HydrophobicContact CG-CB 4.49Å; L175-C179 WeakPolarHBondContact O-CB 3.48Å; L175-C179 PolarHBondContact O-N 3.1Å; L175-C179 PolarHBondContact O-SG 3.33Å; L175-C179 VanDerWaalsContact O-SG 3.34Å; C179-V181 WeakPolarHBondContact CB-O 3.35Å
180R98.2Very high98.6Very high229 Ų22942.3 Ų42.386%0.86422%0.216SC*.SBendtrans-89.4-38.9166.9-63.8175.5175.4176.2-0.2111E151E151-R180 WeakPolarHBondContact OE1-CA 3.42Å; E151-R180 PolarHBondContact OE1-N 3.4Å
181V98.4Very high98.6Very high44 Ų4436.1 Ų36.127%0.26718%0.183SC..SBendtrans-110.6120.6175.3-175.10000108.3W147 E151 I162 C179W147-V181 VanDerWaalsContact CZ2-O 3.29Å; W147-V181 WeakPolarHBondContact CZ2-O 3.39Å; W147-V181 PolarHBondContact NE1-O 3.4Å; E151-V181 HydrophobicContact CG-CB 4.24Å; E151-V181 HydrophobicContact CG-CG2 4.35Å; E151-V181 PolarHBondContact OE1-N 3.36Å; I162-V181 HydrophobicContact CD1-CB 4.3Å; I162-V181 HydrophobicContact CD1-CG1 4.31Å; I162-V181 HydrophobicContact CG1-CG1 4.45Å; C179-V181 WeakPolarHBondContact CB-O 3.35Å
182P98.6Very high98.5Very high53 Ų5335.6 Ų35.634%0.34418%0.181SC..  trans-67.6148.3176.429-34.2000110.8L176 A184L176-P182 HydrophobicContact CD2-CB 3.8Å; P182-A184 PolarHBondContact O-N 3.2Å
183P98.9Very high98.5Very high0 Ų035.7 Ų35.70%018%0.181CC..  trans-62.4131.517526-34.1000110.9N12 W147 V164 L172 L175 I208N12-P183 PolarHBondContact ND2-O 2.83Å; W147-P183 VanDerWaalsContact CH2-CA 3.47Å; W147-P183 HydrophobicContact CH2-CB 3.52Å; W147-P183 HydrophobicContact CZ2-CB 3.96Å; W147-P183 HydrophobicContact CZ3-CB 4.19Å; V164-P183 HydrophobicContact CG2-CB 4.43Å; L172-P183 HydrophobicContact CD2-CG 4.29Å; L175-P183 HydrophobicContact CD2-CG 4.19Å; P183-I208 HydrophobicContact CG-CD1 3.98Å; P183-I208 HydrophobicContact CG-CG1 4.48Å
184A98.9Very high98.3Very high1 Ų132.3 Ų32.31%0.00817%0.166CC..SBendtrans-74.2-33.2176.400000112.1L11 N12 I162 P182 A209L11-A184 HydrophobicContact CB-CB 4.28Å; L11-A184 HydrophobicContact CD1-CB 4.2Å; N12-A184 WeakPolarHBondContact OD1-CA 3.44Å; I162-A184 WeakPolarHBondContact O-CB 3.47Å; I162-A184 PolarHBondContact O-N 2.76Å; P182-A184 PolarHBondContact O-N 3.2Å; A184-A209 PolarHBondContact O-N 3.41Å
185V98.9Very high98.1Very high0 Ų028.6 Ų28.60%015%0.152CC..EExtended strand (participates in β ladder)trans-136.9142.1-174.11780000110.7L11 M17 L112 L114 G163 V164 A209L11-V185 HydrophobicContact CD1-CG2 4.34Å; L11-V185 HydrophobicContact CD2-CG2 3.83Å; M17-V185 HydrophobicContact SD-CG2 3.97Å; L112-V185 HydrophobicContact CD1-CB 4.31Å; L112-V185 HydrophobicContact CD1-CG2 4.16Å; L112-V185 HydrophobicContact CD2-CB 4Å; L112-V185 HydrophobicContact CD2-CG1 4.21Å; L112-V185 HydrophobicContact CD2-CG2 3.73Å; L114-V185 HydrophobicContact CD2-CB 4.41Å; G163-V185 CarbonylContact C-O 3.44Å; G163-V185 VanDerWaalsContact CA-O 3.28Å; G163-V185 WeakPolarHBondContact CA-O 3.17Å; V164-V185 PolarHBondContact N-O 3.3Å; V185-A209 CarbonylContact C-O 3.54Å; V185-A209 VanDerWaalsContact CA-O 3.23Å; V185-A209 WeakPolarHBondContact CA-O 3.29Å; V185-A209 HydrophobicContact CG2-CB 4.21Å
186N98.9Very high97.8Very high0 Ų030.7 Ų30.70%016%0.162CC..EExtended strand (participates in β ladder)trans-117.2113.5157.1-177.420.9000109.5V164 F167 V188 I208 A209 L210 T211V164-N186 HydrophobicContact CG2-CB 3.89Å; V164-N186 CarbonylContact O-C 3.54Å; V164-N186 VanDerWaalsContact O-CA 3.27Å; V164-N186 WeakPolarHBondContact O-CA 3.44Å; F167-N186 PolarHBondContact N-OD1 2.94Å; F167-N186 PolarHBondContact O-ND2 2.76Å; N186-V188 WeakPolarHBondContact OD1-CG1 3.43Å; N186-I208 HydrophobicContact CB-CG2 4.18Å; N186-A209 PolarHBondContact N-O 3.26Å; N186-L210 HydrophobicContact CB-CD2 3.95Å; N186-L210 WeakPolarHBondContact O-CA 3.42Å; N186-L210 VanDerWaalsContact O-CD2 3.28Å; N186-L210 WeakPolarHBondContact O-CD2 3.49Å; N186-T211 PolarHBondContact O-N 2.96Å; N186-T211 VanDerWaalsContact O-N 3.09Å
187Q98.9Very high97.6Very high3 Ų333.8 Ų33.81%0.01417%0.174CC..EExtended strand (participates in β ladder)trans-90.2121.4178.2-169.8-178.199.600110.4D49 L114 V164 S165 N166 T211 Y213 I268D49-Q187 PolarHBondContact OD2-NE2 3.44Å; L114-Q187 HydrophobicContact CD1-CB 3.87Å; V164-Q187 PolarHBondContact O-N 3.37Å; S165-Q187 CarbonylContact C-O 3.47Å; S165-Q187 WeakPolarHBondContact CA-O 3.36Å; S165-Q187 PolarHBondContact OG-O 3.08Å; N166-Q187 PolarHBondContact N-O 2.81Å; Q187-T211 CarbonylContact C-O 3.58Å; Q187-T211 WeakPolarHBondContact CA-O 3.48Å; Q187-T211 HydrophobicContact CG-CG2 3.92Å; Q187-Y213 HydrophobicContact CG-CD1 4.13Å; Q187-I268 HydrophobicContact CG-CD1 4.38Å
188V98.6Very high97.5Very high4 Ų436 Ų362%0.02417%0.174CC..EExtended strand (participates in β ladder)trans-140.5161.7-172.6-62.70000112.6N186 L190 L199 L210 T211 Y213N186-V188 WeakPolarHBondContact OD1-CG1 3.43Å; V188-L190 PolarHBondContact O-N 3.17Å; V188-L199 HydrophobicContact CB-CD2 4.33Å; V188-L199 HydrophobicContact CG1-CD2 3.85Å; V188-L199 HydrophobicContact CG2-CD2 4.02Å; V188-L210 HydrophobicContact CG2-CD2 4.06Å; V188-T211 PolarHBondContact N-O 2.77Å; V188-Y213 VanDerWaalsContact CA-CE1 3.48Å; V188-Y213 WeakPolarHBondContact O-CD1 3.28Å; V188-Y213 PolarHBondContact O-N 3.13Å
189E97.8Very high97.5Very high5 Ų532.4 Ų32.42%0.02316%0.155CC..EExtended strand (participates in β ladder)trans-65.6117.3171-166.5170.6135.500109.2H191 Q196 Y213 K304 A305 C306E189-H191 IonicContact OE1-CD2 2.63Å; E189-H191 IonicContact OE1-CE1 2.89Å; E189-H191 IonicContact OE1-NE2 3.39Å; E189-H191 PolarHBondContact OE1-NE2 2.85Å; E189-Q196 PolarHBondContact O-NE2 3.27Å; E189-Y213 HydrophobicContact CB-CD2 4.22Å; E189-Y213 HydrophobicContact CB-CE1 4.31Å; E189-Y213 HydrophobicContact CB-CE2 3.44Å; E189-Y213 VanDerWaalsContact CB-CE2 3.44Å; E189-Y213 VanDerWaalsContact CB-CZ 3.49Å; E189-Y213 WeakPolarHBondContact CB-OH 3.37Å; E189-Y213 HydrophobicContact CG-CD2 4.44Å; E189-Y213 HydrophobicContact CG-CE2 3.82Å; E189-K304 VanDerWaalsContact OE1-CA 3.24Å; E189-K304 WeakPolarHBondContact OE1-CA 3.18Å; E189-A305 WeakPolarHBondContact OE1-CB 3.47Å; E189-A305 PolarHBondContact OE1-N 2.86Å; E189-A305 PolarHBondContact OE2-N 3.02Å; E189-C306 WeakPolarHBondContact OE2-CB 3.42Å; E189-C306 PolarHBondContact OE2-N 2.59Å
190L97.6Very high97.5Very high2 Ų232 Ų321%0.0115%0.151CC..  trans-144.6123.7-178.8-156.274.3000109.4V188 V195 Q196 I200 A212 Y213 H260 I265V188-L190 PolarHBondContact O-N 3.17Å; L190-V195 VanDerWaalsContact CD1-O 3.29Å; L190-V195 WeakPolarHBondContact CD1-O 3.43Å; L190-Q196 HydrophobicContact CD1-CB 3.81Å; L190-Q196 HydrophobicContact CD1-CG 4.02Å; L190-I200 HydrophobicContact CD1-CD1 4.3Å; L190-I200 HydrophobicContact CD2-CD1 4.3Å; L190-A212 HydrophobicContact CB-CB 3.72Å; L190-A212 HydrophobicContact CD2-CB 4.26Å; L190-Y213 PolarHBondContact N-O 3.22Å; L190-H260 PolarHBondContact O-CE1 3.03Å; L190-H260 PolarHBondContact O-NE2 2.94Å; L190-I265 HydrophobicContact CD2-CD1 3.88Å; L190-I265 HydrophobicContact CD2-CG2 4.02Å
191H97.8Very high97.5Very high0 Ų026.9 Ų26.90%014%0.137CC..BIsolated β-bridgetrans-168.2167.4177.850.859.5000109.3E189 Y193 M194 S214 L235 W303E189-H191 IonicContact OE1-CD2 2.63Å; E189-H191 IonicContact OE1-CE1 2.89Å; E189-H191 IonicContact OE1-NE2 3.39Å; E189-H191 PolarHBondContact OE1-NE2 2.85Å; H191-Y193 PolarHBondContact ND1-N 3.42Å; H191-Y193 PolarHBondContact O-N 3.21Å; H191-M194 VanDerWaalsContact CE1-CB 3.42Å; H191-M194 WeakPolarHBondContact CE1-CB 3.5Å; H191-M194 PolarHBondContact N-O 3.06Å; H191-M194 PolarHBondContact ND1-N 2.72Å; H191-M194 CarbonylContact O-C 3.45Å; H191-M194 WeakPolarHBondContact O-CA 3.43Å; H191-M194 PolarHBondContact O-N 2.97Å; H191-S214 PolarHBondContact CD2-O 3.38Å; H191-S214 VanDerWaalsContact CD2-O 3.23Å; H191-L235 HydrophobicContact CB-CD2 3.77Å; H191-W303 AromaticContact CE1-CE3 3.88Å
192P97.8Very high97.5Very high0 Ų025.8 Ų25.80%013%0.129CC..THydrogen-bonded Turntrans-51.2-26.2-179.1-34.836.9000117.4M194 L235 L256 F259 L296 L299 D300P192-M194 VanDerWaalsContact C-N 3.33Å; P192-L235 HydrophobicContact CB-CD1 4.06Å; P192-L235 HydrophobicContact CG-CD1 4.45Å; P192-L256 HydrophobicContact CG-CD2 3.58Å; P192-F259 HydrophobicContact CG-CD1 4.06Å; P192-F259 HydrophobicContact CG-CE1 4.2Å; P192-L296 WeakPolarHBondContact CB-O 3.48Å; P192-L296 HydrophobicContact CG-CB 4.36Å; P192-L296 HydrophobicContact CG-CD2 4.14Å; P192-L299 HydrophobicContact CB-CB 4.02Å; P192-L299 HydrophobicContact CB-CD1 3.91Å; P192-L299 CarbonylContact O-C 3.59Å; P192-D300 WeakPolarHBondContact O-CA 3.2Å; P192-D300 PolarHBondContact O-N 3.13Å
193Y97.7Very high97.5Very high3 Ų323.3 Ų23.31%0.01211%0.113CC..THydrogen-bonded Turntrans-82.6-4.6172.4-68.1-10.1000115.6H191 P232 H233 L235 D238 L299 R301 G302 W303H191-Y193 PolarHBondContact ND1-N 3.42Å; H191-Y193 PolarHBondContact O-N 3.21Å; Y193-P232 HydrophobicContact CD2-CB 4.11Å; Y193-P232 HydrophobicContact CD2-CG 3.62Å; Y193-P232 HydrophobicContact CE2-CB 3.69Å; Y193-P232 HydrophobicContact CE2-CG 3.58Å; Y193-H233 VanDerWaalsContact CE2-O 3.24Å; Y193-H233 WeakPolarHBondContact CE2-O 3.31Å; Y193-H233 PolarHBondContact OH-O 3.45Å; Y193-L235 HydrophobicContact CD1-CD1 3.85Å; Y193-L235 HydrophobicContact CD2-CB 4.27Å; Y193-L235 HydrophobicContact CD2-CD1 4.29Å; Y193-L235 HydrophobicContact CE1-CD1 3.73Å; Y193-L235 HydrophobicContact CE2-CB 4.04Å; Y193-L235 HydrophobicContact CE2-CD1 4.22Å; Y193-L235 HydrophobicContact CG-CD1 4.14Å; Y193-D238 PolarHBondContact OH-OD2 3.2Å; Y193-L299 HydrophobicContact CD1-CB 3.97Å; Y193-L299 WeakPolarHBondContact CD1-O 3.43Å; Y193-L299 HydrophobicContact CE1-CB 4.15Å; Y193-L299 HydrophobicContact CE1-CD1 4.45Å; Y193-R301 HydrophobicContact CG-CG 4.33Å; Y193-R301 PolarHBondContact O-N 3.47Å; Y193-G302 PolarHBondContact O-N 3.41Å; Y193-W303 HydrophobicContact CD2-CE3 4.05Å; Y193-W303 HydrophobicContact CD2-CZ3 4.44Å; Y193-W303 PolarHBondContact O-N 3.03Å; Y193-W303 VanDerWaalsContact O-N 3.07Å
194M96.2Very high97.4Very high14 Ų1430.1 Ų30.17%0.06914%0.138CC..BIsolated β-bridgetrans-153.277.1-174.6-175.456.9-178.900109.2H191 P192 Q196 D300 W303 K304H191-M194 VanDerWaalsContact CE1-CB 3.42Å; H191-M194 WeakPolarHBondContact CE1-CB 3.5Å; H191-M194 PolarHBondContact N-O 3.06Å; H191-M194 PolarHBondContact ND1-N 2.72Å; H191-M194 CarbonylContact O-C 3.45Å; H191-M194 WeakPolarHBondContact O-CA 3.43Å; H191-M194 PolarHBondContact O-N 2.97Å; P192-M194 VanDerWaalsContact C-N 3.33Å; M194-Q196 HydrophobicContact CE-CG 3.44Å; M194-Q196 VanDerWaalsContact CE-CG 3.44Å; M194-Q196 HydrophobicContact CG-CG 4.07Å; M194-Q196 HydrophobicContact SD-CG 4.12Å; M194-D300 WeakPolarHBondContact CA-OD1 3.44Å; M194-D300 PolarHBondContact N-OD1 2.65Å; M194-W303 WeakPolarHBondContact CB-O 3.4Å; M194-K304 HydrophobicContact CE-CD 3.75Å; M194-K304 HydrophobicContact CE-CG 3.74Å; M194-K304 HydrophobicContact CG-CG 4.45Å; M194-K304 HydrophobicContact SD-CG 3.87Å
195V92.8Very high97.4Very high6 Ų634 Ų344%0.03617%0.165CC..  trans-83.9-19.3-170.1176.50000113.2L190 K197 I200 F259 D300L190-V195 VanDerWaalsContact CD1-O 3.29Å; L190-V195 WeakPolarHBondContact CD1-O 3.43Å; V195-K197 HydrophobicContact CG1-CG 3.98Å; V195-K197 PolarHBondContact O-N 3.2Å; V195-I200 HydrophobicContact CG1-CD1 4.45Å; V195-I200 WeakPolarHBondContact O-CD1 3.47Å; V195-F259 HydrophobicContact CG2-CZ 4.42Å; V195-D300 HydrophobicContact CB-CB 4.19Å; V195-D300 HydrophobicContact CG2-CB 3.82Å; V195-D300 PolarHBondContact N-OD1 2.9Å; V195-D300 VanDerWaalsContact N-OD1 3.09Å
196Q93.3Very high97.4Very high44 Ų4440.3 Ų40.321%0.20619%0.189CC..  trans46.750.5176.4-56.2-156.368.400115.1E189 L190 M194 D198 L199 I200E189-Q196 PolarHBondContact O-NE2 3.27Å; L190-Q196 HydrophobicContact CD1-CB 3.81Å; L190-Q196 HydrophobicContact CD1-CG 4.02Å; M194-Q196 HydrophobicContact CE-CG 3.44Å; M194-Q196 VanDerWaalsContact CE-CG 3.44Å; M194-Q196 HydrophobicContact CG-CG 4.07Å; M194-Q196 HydrophobicContact SD-CG 4.12Å; Q196-D198 PolarHBondContact O-N 3.03Å; Q196-L199 HydrophobicContact CB-CB 4.09Å; Q196-L199 PolarHBondContact O-N 2.95Å; Q196-L199 VanDerWaalsContact O-N 3.11Å; Q196-I200 WeakPolarHBondContact O-CG1 3.44Å; Q196-I200 PolarHBondContact O-N 3.43Å
197K95Very high97.3Very high111 Ų11146.1 Ų46.148%0.48322%0.22SC..Hα-helixtrans-51.4-50.7-173.5-64.8-179-176.9176.90113.3V195 L199 I200 E201V195-K197 HydrophobicContact CG1-CG 3.98Å; V195-K197 PolarHBondContact O-N 3.2Å; K197-L199 VanDerWaalsContact C-N 3.29Å; K197-L199 PolarHBondContact O-N 3.23Å; K197-I200 WeakPolarHBondContact O-CB 3.34Å; K197-I200 PolarHBondContact O-N 3.35Å; K197-I200 VanDerWaalsContact O-N 3.13Å; K197-E201 PolarHBondContact O-N 2.76Å
198D96.8Very high97.3Very high126 Ų12646.3 Ų46.367%0.67422%0.221SC*.Hα-helixtrans-61.3-38.3-178-57.1-14.8000112.1Q196 F202Q196-D198 PolarHBondContact O-N 3.03Å; D198-F202 VanDerWaalsContact O-CB 3.23Å; D198-F202 WeakPolarHBondContact O-CB 3.35Å; D198-F202 PolarHBondContact O-N 3.49Å
199L98.1Very high97.3Very high8 Ų846.9 Ų46.94%0.04223%0.226CC..Hα-helixtrans-69.9-39.8176.9-175.963.9000111.8V169 L172 V188 Q196 K197 C203 L210V169-L199 HydrophobicContact CG2-CB 4.38Å; V169-L199 HydrophobicContact CG2-CD1 3.87Å; L172-L199 HydrophobicContact CD1-CD1 3.88Å; V188-L199 HydrophobicContact CB-CD2 4.33Å; V188-L199 HydrophobicContact CG1-CD2 3.85Å; V188-L199 HydrophobicContact CG2-CD2 4.02Å; Q196-L199 HydrophobicContact CB-CB 4.09Å; Q196-L199 PolarHBondContact O-N 2.95Å; Q196-L199 VanDerWaalsContact O-N 3.11Å; K197-L199 VanDerWaalsContact C-N 3.29Å; K197-L199 PolarHBondContact O-N 3.23Å; L199-C203 VanDerWaalsContact O-CB 3.29Å; L199-C203 WeakPolarHBondContact O-CB 3.46Å; L199-C203 PolarHBondContact O-N 3.16Å; L199-C203 PolarHBondContact O-SG 2.92Å; L199-L210 HydrophobicContact CD2-CD2 4.38Å; L199-L210 HydrophobicContact CG-CD2 4.33Å
200I97.5Very high97.4Very high20 Ų2047.1 Ų47.110%0.10323%0.228CC..Hα-helixtrans-58.7-49.9174.5-67.7172.4000110.2L190 V195 Q196 K197 R204 L210 I265L190-I200 HydrophobicContact CD1-CD1 4.3Å; L190-I200 HydrophobicContact CD2-CD1 4.3Å; V195-I200 HydrophobicContact CG1-CD1 4.45Å; V195-I200 WeakPolarHBondContact O-CD1 3.47Å; Q196-I200 WeakPolarHBondContact O-CG1 3.44Å; Q196-I200 PolarHBondContact O-N 3.43Å; K197-I200 WeakPolarHBondContact O-CB 3.34Å; K197-I200 PolarHBondContact O-N 3.35Å; K197-I200 VanDerWaalsContact O-N 3.13Å; I200-R204 VanDerWaalsContact O-CB 3.29Å; I200-R204 WeakPolarHBondContact O-CB 3.43Å; I200-R204 PolarHBondContact O-N 3.03Å; I200-L210 HydrophobicContact CB-CD1 4.13Å; I200-L210 HydrophobicContact CG1-CD1 3.6Å; I200-I265 HydrophobicContact CD1-CD1 4.32Å
201E98.1Very high97.4Very high121 Ų12147 Ų4757%0.56523%0.227SC*.Hα-helixtrans-65.1-44.6-178.8-70.7178.6-174.600111.7K197 R204 S205K197-E201 PolarHBondContact O-N 2.76Å; E201-R204 PolarHBondContact O-N 3.43Å; E201-S205 WeakPolarHBondContact O-CB 3.47Å; E201-S205 PolarHBondContact O-N 3.19Å
202F98.7Very high97.5Very high20 Ų2047 Ų479%0.08823%0.227CC..Hα-helixtrans-58.8-54.5176.6179.2-91.9000111.6V169 L172 E173 L176 D198 R204 S205 R206V169-F202 HydrophobicContact CB-CG 4.49Å; V169-F202 HydrophobicContact CG1-CB 4.34Å; V169-F202 HydrophobicContact CG1-CD1 4.35Å; V169-F202 HydrophobicContact CG1-CD2 3.62Å; V169-F202 HydrophobicContact CG1-CE2 3.94Å; V169-F202 HydrophobicContact CG1-CG 3.83Å; V169-F202 HydrophobicContact CG1-CZ 4.46Å; V169-F202 HydrophobicContact CG2-CB 3.97Å; V169-F202 HydrophobicContact CG2-CD1 4.47Å; V169-F202 HydrophobicContact CG2-CG 4.13Å; L172-F202 HydrophobicContact CB-CD1 4.39Å; L172-F202 HydrophobicContact CB-CE1 3.54Å; L172-F202 HydrophobicContact CB-CZ 4.18Å; L172-F202 HydrophobicContact CD1-CD1 3.95Å; L172-F202 HydrophobicContact CD1-CE1 3.85Å; L172-F202 HydrophobicContact CG-CE1 4.37Å; E173-F202 HydrophobicContact CB-CZ 4.49Å; E173-F202 HydrophobicContact CG-CE2 3.4Å; E173-F202 VanDerWaalsContact CG-CE2 3.4Å; E173-F202 HydrophobicContact CG-CZ 3.46Å; E173-F202 VanDerWaalsContact CG-CZ 3.46Å; L176-F202 HydrophobicContact CD1-CE1 4.26Å; L176-F202 HydrophobicContact CD1-CZ 4Å; D198-F202 VanDerWaalsContact O-CB 3.23Å; D198-F202 WeakPolarHBondContact O-CB 3.35Å; D198-F202 PolarHBondContact O-N 3.49Å; F202-R204 VanDerWaalsContact C-N 3.31Å; F202-R204 PolarHBondContact O-N 3.29Å; F202-S205 PolarHBondContact O-N 3.27Å; F202-S205 VanDerWaalsContact O-N 3.09Å; F202-S205 PolarHBondContact O-OG 3.15Å; F202-R206 HydrophobicContact CD1-CG 4.45Å; F202-R206 HydrophobicContact CE1-CG 3.99Å; F202-R206 HydrophobicContact CE2-CG 4.24Å; F202-R206 HydrophobicContact CZ-CG 3.89Å; F202-R206 WeakPolarHBondContact O-CG 3.06Å; F202-R206 PolarHBondContact O-N 3.43Å; F202-R206 VanDerWaalsContact O-N 3.16Å
203C98.6Very high97.5Very high1 Ų148.3 Ų48.31%0.00723%0.232CC..Hα-helixtrans-59.3-42.8-179.3-780000111.5L199 S205 R206 N207 I208 L210L199-C203 VanDerWaalsContact O-CB 3.29Å; L199-C203 WeakPolarHBondContact O-CB 3.46Å; L199-C203 PolarHBondContact O-N 3.16Å; L199-C203 PolarHBondContact O-SG 2.92Å; C203-S205 PolarHBondContact O-N 3.28Å; C203-R206 CarbonylContact O-C 3.54Å; C203-R206 PolarHBondContact O-N 3.02Å; C203-R206 VanDerWaalsContact O-N 3.15Å; C203-N207 PolarHBondContact O-N 2.63Å; C203-N207 VanDerWaalsContact O-N 3.14Å; C203-I208 CarbonylContact C-O 3.52Å; C203-I208 HydrophobicContact CB-CB 4.11Å; C203-I208 HydrophobicContact CB-CG2 4.5Å; C203-I208 WeakPolarHBondContact CB-O 3.46Å; C203-I208 PolarHBondContact O-N 2.98Å; C203-L210 HydrophobicContact CB-CD1 4.36Å; C203-L210 HydrophobicContact CB-CD2 4.11Å; C203-L210 HydrophobicContact CB-CG 3.88Å; C203-L210 VanDerWaalsContact SG-CD2 3.59Å
204R97.8Very high97.5Very high144 Ų14449.5 Ų49.554%0.54324%0.241SC..Hα-helixtrans-58.9-44.9174.7-172.9-177.3-68.3137.9-2.9111.7I200 E201 F202 R206 N207I200-R204 VanDerWaalsContact O-CB 3.29Å; I200-R204 WeakPolarHBondContact O-CB 3.43Å; I200-R204 PolarHBondContact O-N 3.03Å; E201-R204 PolarHBondContact O-N 3.43Å; F202-R204 VanDerWaalsContact C-N 3.31Å; F202-R204 PolarHBondContact O-N 3.29Å; R204-R206 PolarHBondContact O-N 2.8Å; R204-N207 PolarHBondContact O-N 3.19Å
205S98.3Very high97.5Very high82 Ų8249 Ų4957%0.57324%0.239SC*.Hα-helixtrans-64.4-21.5179.479.20000114E201 F202 C203E201-S205 WeakPolarHBondContact O-CB 3.47Å; E201-S205 PolarHBondContact O-N 3.19Å; F202-S205 PolarHBondContact O-N 3.27Å; F202-S205 VanDerWaalsContact O-N 3.09Å; F202-S205 PolarHBondContact O-OG 3.15Å; C203-S205 PolarHBondContact O-N 3.28Å
206R98.4Very high97.7Very high133 Ų13349.9 Ų49.950%0.50224%0.242SC..THydrogen-bonded Turntrans-104.96.8-179.5-58.7-56.7-173.5169.11.5113.4L176 F202 C203 R204 I208L176-R206 HydrophobicContact CD1-CB 4.21Å; L176-R206 HydrophobicContact CD1-CG 3.88Å; F202-R206 HydrophobicContact CD1-CG 4.45Å; F202-R206 HydrophobicContact CE1-CG 3.99Å; F202-R206 HydrophobicContact CE2-CG 4.24Å; F202-R206 HydrophobicContact CZ-CG 3.89Å; F202-R206 WeakPolarHBondContact O-CG 3.06Å; F202-R206 PolarHBondContact O-N 3.43Å; F202-R206 VanDerWaalsContact O-N 3.16Å; C203-R206 CarbonylContact O-C 3.54Å; C203-R206 PolarHBondContact O-N 3.02Å; C203-R206 VanDerWaalsContact O-N 3.15Å; R204-R206 PolarHBondContact O-N 2.8Å; R206-I208 HydrophobicContact CB-CD1 3.92Å; R206-I208 HydrophobicContact CB-CG1 3.96Å; R206-I208 PolarHBondContact O-N 3.24Å
207N98.2Very high97.8Very high122 Ų12248.1 Ų48.165%0.65224%0.236SC*.THydrogen-bonded Turntrans52.936.7-172-60.6-40.3000112.8N12 C203 R204N12-N207 HydrophobicContact CB-CB 4.19Å; N12-N207 VanDerWaalsContact CB-O 3.29Å; N12-N207 WeakPolarHBondContact CB-O 3.48Å; N12-N207 PolarHBondContact ND2-O 3.3Å; C203-N207 PolarHBondContact O-N 2.63Å; C203-N207 VanDerWaalsContact O-N 3.14Å; R204-N207 PolarHBondContact O-N 3.19Å
208I98.8Very high97.7Very high6 Ų643.5 Ų43.53%0.03122%0.218CC..PPolyproline II helixtrans-97.1123.9171.5-58172.5000106.9L172 L176 P183 N186 C203 R206L172-I208 HydrophobicContact CD2-CD1 4.44Å; L176-I208 HydrophobicContact CD1-CD1 4.11Å; L176-I208 HydrophobicContact CD2-CD1 4.38Å; P183-I208 HydrophobicContact CG-CD1 3.98Å; P183-I208 HydrophobicContact CG-CG1 4.48Å; N186-I208 HydrophobicContact CB-CG2 4.18Å; C203-I208 CarbonylContact C-O 3.52Å; C203-I208 HydrophobicContact CB-CB 4.11Å; C203-I208 HydrophobicContact CB-CG2 4.5Å; C203-I208 WeakPolarHBondContact CB-O 3.46Å; C203-I208 PolarHBondContact O-N 2.98Å; R206-I208 HydrophobicContact CB-CD1 3.92Å; R206-I208 HydrophobicContact CB-CG1 3.96Å; R206-I208 PolarHBondContact O-N 3.24Å
209A98.7Very high97.4Very high16 Ų1641.2 Ų41.213%0.13221%0.21CC..EExtended strand (participates in β ladder)trans-73.5137.5175.800000110.6I9 L11 A184 V185 N186I9-A209 HydrophobicContact CD1-CB 3.43Å; I9-A209 VanDerWaalsContact CD1-CB 3.43Å; L11-A209 HydrophobicContact CD2-CB 3.72Å; A184-A209 PolarHBondContact O-N 3.41Å; V185-A209 CarbonylContact C-O 3.54Å; V185-A209 VanDerWaalsContact CA-O 3.23Å; V185-A209 WeakPolarHBondContact CA-O 3.29Å; V185-A209 HydrophobicContact CG2-CB 4.21Å; N186-A209 PolarHBondContact N-O 3.26Å
210L98.5Very high96.8Very high11 Ų1143.4 Ų43.46%0.05823%0.234CC..EExtended strand (participates in β ladder)trans-90.7139.5166.2-74.6-178.9000110.2N186 V188 L199 I200 C203 I265 P266N186-L210 HydrophobicContact CB-CD2 3.95Å; N186-L210 WeakPolarHBondContact O-CA 3.42Å; N186-L210 VanDerWaalsContact O-CD2 3.28Å; N186-L210 WeakPolarHBondContact O-CD2 3.49Å; V188-L210 HydrophobicContact CG2-CD2 4.06Å; L199-L210 HydrophobicContact CD2-CD2 4.38Å; L199-L210 HydrophobicContact CG-CD2 4.33Å; I200-L210 HydrophobicContact CB-CD1 4.13Å; I200-L210 HydrophobicContact CG1-CD1 3.6Å; C203-L210 HydrophobicContact CB-CD1 4.36Å; C203-L210 HydrophobicContact CB-CD2 4.11Å; C203-L210 HydrophobicContact CB-CG 3.88Å; C203-L210 VanDerWaalsContact SG-CD2 3.59Å; L210-I265 HydrophobicContact CB-CG2 4.28Å; L210-P266 VanDerWaalsContact O-CD 3.26Å; L210-P266 WeakPolarHBondContact O-CD 3.46Å
211T98.9Very high96.4Very high0 Ų043.5 Ų43.50%023%0.233CC..EExtended strand (participates in β ladder)trans-116.3125.3165.7-64.10000109.3M17 N186 Q187 V188 Y213 P266 I268M17-T211 HydrophobicContact CE-CG2 4.33Å; M17-T211 VanDerWaalsContact CE-OG1 3.29Å; M17-T211 WeakPolarHBondContact CE-OG1 2.94Å; N186-T211 PolarHBondContact O-N 2.96Å; N186-T211 VanDerWaalsContact O-N 3.09Å; Q187-T211 CarbonylContact C-O 3.58Å; Q187-T211 WeakPolarHBondContact CA-O 3.48Å; Q187-T211 HydrophobicContact CG-CG2 3.92Å; V188-T211 PolarHBondContact N-O 2.77Å; T211-Y213 PolarHBondContact O-N 3.29Å; T211-P266 CarbonylContact C-O 3.55Å; T211-P266 WeakPolarHBondContact CA-O 3.26Å; T211-P266 HydrophobicContact CG2-CB 4.29Å; T211-I268 HydrophobicContact CG2-CD1 4.27Å; T211-I268 HydrophobicContact CG2-CG1 4.12Å; T211-I268 HydrophobicContact CG2-CG2 4.08Å
212A98.6Very high95.7Very high0 Ų040 Ų400%022%0.22CC..EExtended strand (participates in β ladder)trans-83.4107.3-179.600000110.9L190 I265 P266 V267 I268L190-A212 HydrophobicContact CB-CB 3.72Å; L190-A212 HydrophobicContact CD2-CB 4.26Å; A212-I265 HydrophobicContact CB-CG2 4.09Å; A212-P266 PolarHBondContact N-O 3.23Å; A212-V267 HydrophobicContact CB-CG1 4.05Å; A212-I268 WeakPolarHBondContact O-CG1 3.42Å; A212-I268 PolarHBondContact O-N 2.96Å
213Y98.4Very high95.1Very high27 Ų2743.4 Ų43.411%0.10625%0.246CC..EExtended strand (participates in β ladder)trans-88.1159.6164.480.6-116.4000110.8N166 Q187 V188 E189 L190 T211 P215 C306N166-Y213 VanDerWaalsContact OD1-CE1 3.29Å; N166-Y213 WeakPolarHBondContact OD1-CE1 3.3Å; N166-Y213 PolarHBondContact OD1-OH 2.99Å; Q187-Y213 HydrophobicContact CG-CD1 4.13Å; V188-Y213 VanDerWaalsContact CA-CE1 3.48Å; V188-Y213 WeakPolarHBondContact O-CD1 3.28Å; V188-Y213 PolarHBondContact O-N 3.13Å; E189-Y213 HydrophobicContact CB-CD2 4.22Å; E189-Y213 HydrophobicContact CB-CE1 4.31Å; E189-Y213 HydrophobicContact CB-CE2 3.44Å; E189-Y213 VanDerWaalsContact CB-CE2 3.44Å; E189-Y213 VanDerWaalsContact CB-CZ 3.49Å; E189-Y213 WeakPolarHBondContact CB-OH 3.37Å; E189-Y213 HydrophobicContact CG-CD2 4.44Å; E189-Y213 HydrophobicContact CG-CE2 3.82Å; L190-Y213 PolarHBondContact N-O 3.22Å; T211-Y213 PolarHBondContact O-N 3.29Å; Y213-P215 VanDerWaalsContact C-CD 3.43Å; Y213-C306 HydrophobicContact CE2-CB 4.26Å
214S97.1Very high94.4Very high28 Ų2850.6 Ų50.620%0.19628%0.279CS..SBendtrans52.641.4-176.1-69.40000114.5H191 F216 G217H191-S214 PolarHBondContact CD2-O 3.38Å; H191-S214 VanDerWaalsContact CD2-O 3.23Å; S214-F216 PolarHBondContact O-N 3.31Å; S214-G217 PolarHBondContact O-N 3.11Å
215P97.4Very high93.8Very high4 Ų446.4 Ų46.43%0.02627%0.267CS..THydrogen-bonded Turntrans-59.6-13.9-173.326.9-36.9000114.5Y213 L257 P269Y213-P215 VanDerWaalsContact C-CD 3.43Å; P215-L257 HydrophobicContact CB-CD2 3.98Å; P215-L257 HydrophobicContact CG-CD2 3.85Å; P215-P269 HydrophobicContact CG-CB 4.2Å
216F97.4Very high93.3Very high24 Ų2448 Ų4811%0.10526%0.263CS..THydrogen-bonded Turntrans-100.310.3176.5-55.1-36.1000114.8S214 P219 L236 A253 L256 L257 P269S214-F216 PolarHBondContact O-N 3.31Å; F216-P219 HydrophobicContact CB-CG 4.34Å; F216-L236 HydrophobicContact CB-CD1 4.05Å; F216-L236 HydrophobicContact CB-CD2 4.41Å; F216-L236 HydrophobicContact CB-CG 4.13Å; F216-L236 HydrophobicContact CD1-CD2 3.99Å; F216-L236 HydrophobicContact CE1-CD2 4.5Å; F216-L236 HydrophobicContact CG-CD1 4.36Å; F216-L236 HydrophobicContact CG-CD2 4.22Å; F216-L236 HydrophobicContact CG-CG 4.45Å; F216-A253 HydrophobicContact CE1-CB 3.79Å; F216-A253 HydrophobicContact CZ-CB 3.8Å; F216-L256 HydrophobicContact CD1-CB 4.11Å; F216-L256 HydrophobicContact CD1-CD1 3.88Å; F216-L256 HydrophobicContact CE1-CB 4.25Å; F216-L257 HydrophobicContact CE1-CD1 4.31Å; F216-L257 HydrophobicContact CE1-CD2 3.84Å; F216-L257 HydrophobicContact CE1-CG 3.78Å; F216-L257 HydrophobicContact CZ-CD1 3.97Å; F216-L257 HydrophobicContact CZ-CD2 3.92Å; F216-L257 HydrophobicContact CZ-CG 3.91Å; F216-P269 HydrophobicContact CE2-CB 3.63Å; F216-P269 HydrophobicContact CZ-CB 3.79Å
217G95.1Very high92.8Very high7 Ų745.7 Ų45.77%0.07226%0.255CS..  trans73.428-175.900000113.7S214S214-G217 PolarHBondContact O-N 3.11Å
218S93.3Very high92.2Very high14 Ų1442.6 Ų42.610%0.09825%0.252CS..  trans46.263178.4-155.80000114.6G220 R221S218-G220 PolarHBondContact O-N 3.01Å; S218-G220 VanDerWaalsContact O-N 3.13Å; S218-R221 WeakPolarHBondContact O-CG 3.24Å; S218-R221 PolarHBondContact O-N 3.44Å; S218-R221 WeakPolarHBondContact OG-CG 3.47Å
219P89.8Confident91.6Very high78 Ų7851.9 Ų51.951%0.50630%0.295SS..THydrogen-bonded Turntrans-64.5-18.6-179.526.9-35000113.4F216 L236F216-P219 HydrophobicContact CB-CG 4.34Å; P219-L236 HydrophobicContact CG-CD1 4.23Å
220G85.3Confident91Very high53 Ų5354.4 Ų54.455%0.54632%0.315SS..THydrogen-bonded Turntrans-90.519.1176.600000115.1K26 S218K26-G220 PolarHBondContact NZ-O 2.85Å; S218-G220 PolarHBondContact O-N 3.01Å; S218-G220 VanDerWaalsContact O-N 3.13Å
221R88.6Confident90.5Very high23 Ų2355.2 Ų55.29%0.08732%0.32CS..  trans-59138.7169.9-79.3-176-61.1131.910.3110.8S218 M225 K226 D231 W303 A305S218-R221 WeakPolarHBondContact O-CG 3.24Å; S218-R221 PolarHBondContact O-N 3.44Å; S218-R221 WeakPolarHBondContact OG-CG 3.47Å; R221-M225 HydrophobicContact CB-CB 3.96Å; R221-M225 HydrophobicContact CB-SD 4.49Å; R221-M225 HydrophobicContact CG-CB 4.16Å; R221-M225 HydrophobicContact CG-CE 4.05Å; R221-M225 HydrophobicContact CG-SD 4.3Å; R221-M225 PolarHBondContact NH1-O 3.41Å; R221-K226 HydrophobicContact CB-CG 4.44Å; R221-K226 WeakPolarHBondContact O-CE 3.16Å; R221-D231 IonicContact CZ-OD1 3.4Å; R221-D231 IonicContact CZ-OD2 2.68Å; R221-D231 VanDerWaalsContact CZ-OD2 3.28Å; R221-D231 VanDerWaalsContact NH1-CG 3.32Å; R221-D231 IonicContact NH1-OD1 2.65Å; R221-D231 PolarHBondContact NH1-OD1 3.39Å; R221-D231 VanDerWaalsContact NH1-OD1 3.13Å; R221-D231 IonicContact NH1-OD2 3.59Å; R221-D231 PolarHBondContact NH1-OD2 3.12Å; R221-D231 VanDerWaalsContact NH2-CG 3.29Å; R221-D231 IonicContact NH2-OD1 3.64Å; R221-D231 IonicContact NH2-OD2 2.84Å; R221-D231 PolarHBondContact NH2-OD2 2.81Å; R221-W303 VanDerWaalsContact NH2-CZ2 3.32Å; R221-A305 VanDerWaalsContact CD-O 3.29Å; R221-A305 WeakPolarHBondContact CD-O 3.21Å
222T84.8Confident90.1Very high48 Ų4856.8 Ų56.829%0.29433%0.33SS..  trans-69.4169.3175.9620000110.7E224 M225 K226T222-E224 WeakPolarHBondContact CB-OE2 3.39Å; T222-E224 PolarHBondContact O-N 2.79Å; T222-E224 PolarHBondContact OG1-OE2 3.14Å; T222-M225 PolarHBondContact O-N 2.71Å; T222-M225 WeakPolarHBondContact OG1-CG 3.44Å; T222-K226 WeakPolarHBondContact O-CG 3.29Å; T222-K226 PolarHBondContact O-N 2.8Å
223S85.1Confident89.5Confident90 Ų9064.5 Ų64.563%0.62937%0.366SS*.G310 helixtrans-50.9-43.7170.523.70000112.4M225 K226S223-M225 VanDerWaalsContact C-N 3.26Å; S223-M225 PolarHBondContact O-N 3.5Å; S223-K226 PolarHBondContact O-N 3.03Å
224E83.4Confident89.2Confident152 Ų15269.4 Ų69.471%0.7139%0.388SS*.G310 helixtrans-68.7-25.7-176.7-49.174.4-131.400112.6T222T222-E224 WeakPolarHBondContact CB-OE2 3.39Å; T222-E224 PolarHBondContact O-N 2.79Å; T222-E224 PolarHBondContact OG1-OE2 3.14Å
225M85.3Confident89.1Confident56 Ų5668.3 Ų68.328%0.27638%0.38SS..G310 helixtrans-88-10179-64.8178.776.300113.5W25 R221 T222 S223W25-M225 HydrophobicContact CH2-CE 3.78Å; W25-M225 HydrophobicContact CH2-SD 3.66Å; W25-M225 HydrophobicContact CZ2-CE 4.14Å; W25-M225 HydrophobicContact CZ2-SD 4.03Å; R221-M225 HydrophobicContact CB-CB 3.96Å; R221-M225 HydrophobicContact CB-SD 4.49Å; R221-M225 HydrophobicContact CG-CB 4.16Å; R221-M225 HydrophobicContact CG-CE 4.05Å; R221-M225 HydrophobicContact CG-SD 4.3Å; R221-M225 PolarHBondContact NH1-O 3.41Å; T222-M225 PolarHBondContact O-N 2.71Å; T222-M225 WeakPolarHBondContact OG1-CG 3.44Å; S223-M225 VanDerWaalsContact C-N 3.26Å; S223-M225 PolarHBondContact O-N 3.5Å
226K88.1Confident89.1Confident115 Ų11570.8 Ų70.850%0.539%0.392SS..  trans-86.2138.1179.3-73.6175.2-174.9174.10109.9R221 T222 S223 D231R221-K226 HydrophobicContact CB-CG 4.44Å; R221-K226 WeakPolarHBondContact O-CE 3.16Å; T222-K226 WeakPolarHBondContact O-CG 3.29Å; T222-K226 PolarHBondContact O-N 2.8Å; S223-K226 PolarHBondContact O-N 3.03Å; K226-D231 WeakPolarHBondContact CA-OD2 3.47Å
227R87.9Confident89.1Confident85 Ų8576 Ų7632%0.32142%0.417SS..  trans-103.928.2-179.5-62.8-176.8-63.7-96.3-5112.9E229 A230 D231 K304R227-E229 PolarHBondContact O-N 3.14Å; R227-A230 HydrophobicContact CB-CB 3.97Å; R227-A230 WeakPolarHBondContact O-CB 3.4Å; R227-A230 PolarHBondContact O-N 2.94Å; R227-A230 VanDerWaalsContact O-N 3.09Å; R227-D231 IonicContact CZ-OD1 3.9Å; R227-D231 PolarHBondContact N-OD2 3.41Å; R227-D231 VanDerWaalsContact N-OD2 3.09Å; R227-D231 IonicContact NE-OD1 3.89Å; R227-D231 IonicContact NH2-OD1 3.57Å; R227-K304 PolarHBondContact NH1-O 3.05Å; R227-K304 VanDerWaalsContact NH1-O 3.14Å; R227-K304 PolarHBondContact NH2-O 3.18Å
228G86.3Confident89.2Confident57 Ų5776.3 Ų76.359%0.58842%0.417SS*.G310 helixtrans56-125.5179.400000111.9A230 D231G228-A230 PolarHBondContact O-N 3.35Å; G228-D231 PolarHBondContact O-N 3.21Å
229E85.3Confident89.4Confident202 Ų20280 Ų8094%0.94444%0.441SS*.G310 helixtrans-63.9-17.9-179.3-61.8-176.3170.100114R227 D231R227-E229 PolarHBondContact O-N 3.14Å; E229-D231 PolarHBondContact O-N 3.39Å
230A85.8Confident89.9Confident68 Ų6878.6 Ų78.656%0.56243%0.431SS*.G310 helixtrans-78.1-7.5174.700000113.4R227 G228R227-A230 HydrophobicContact CB-CB 3.97Å; R227-A230 WeakPolarHBondContact O-CB 3.4Å; R227-A230 PolarHBondContact O-N 2.94Å; R227-A230 VanDerWaalsContact O-N 3.09Å; G228-A230 PolarHBondContact O-N 3.35Å
231D89.1Confident90.5Very high28 Ų2876.1 Ų76.115%0.1541%0.405CS..SBendtrans-87.6135.6171-75.2-19.7000111R221 K226 R227 G228 E229 W303R221-D231 IonicContact CZ-OD1 3.4Å; R221-D231 IonicContact CZ-OD2 2.68Å; R221-D231 VanDerWaalsContact CZ-OD2 3.28Å; R221-D231 VanDerWaalsContact NH1-CG 3.32Å; R221-D231 IonicContact NH1-OD1 2.65Å; R221-D231 PolarHBondContact NH1-OD1 3.39Å; R221-D231 VanDerWaalsContact NH1-OD1 3.13Å; R221-D231 IonicContact NH1-OD2 3.59Å; R221-D231 PolarHBondContact NH1-OD2 3.12Å; R221-D231 VanDerWaalsContact NH2-CG 3.29Å; R221-D231 IonicContact NH2-OD1 3.64Å; R221-D231 IonicContact NH2-OD2 2.84Å; R221-D231 PolarHBondContact NH2-OD2 2.81Å; K226-D231 WeakPolarHBondContact CA-OD2 3.47Å; R227-D231 IonicContact CZ-OD1 3.9Å; R227-D231 PolarHBondContact N-OD2 3.41Å; R227-D231 VanDerWaalsContact N-OD2 3.09Å; R227-D231 IonicContact NE-OD1 3.89Å; R227-D231 IonicContact NH2-OD1 3.57Å; G228-D231 PolarHBondContact O-N 3.21Å; E229-D231 PolarHBondContact O-N 3.39Å; D231-W303 HydrophobicContact CB-CZ2 4.45Å; D231-W303 PolarHBondContact OD1-NE1 3.32Å
232P89.2Confident91Very high33 Ų3376.6 Ų76.621%0.21441%0.414CS..PPolyproline II helixtrans-71.7167.3178.133.4-36.7000110.7Y193 W303Y193-P232 HydrophobicContact CD2-CB 4.11Å; Y193-P232 HydrophobicContact CD2-CG 3.62Å; Y193-P232 HydrophobicContact CE2-CB 3.69Å; Y193-P232 HydrophobicContact CE2-CG 3.58Å; P232-W303 VanDerWaalsContact CD-CD1 3.43Å; P232-W303 VanDerWaalsContact CD-CD2 3.41Å; P232-W303 HydrophobicContact CG-CD2 3.51Å; P232-W303 HydrophobicContact CG-CE3 3.78Å; P232-W303 HydrophobicContact CG-CG 3.86Å; P232-W303 HydrophobicContact CG-CH2 4.36Å; P232-W303 HydrophobicContact CG-CZ2 4.14Å; P232-W303 HydrophobicContact CG-CZ3 4.2Å
233H86.6Confident91.6Very high162 Ų16278.3 Ų78.375%0.7542%0.421SS*.SBendtrans-53.5145164.6-63.4-48000111.2Y193 L235Y193-H233 VanDerWaalsContact CE2-O 3.24Å; Y193-H233 WeakPolarHBondContact CE2-O 3.31Å; Y193-H233 PolarHBondContact OH-O 3.45Å; H233-L235 PolarHBondContact O-N 3.4Å
234K91.9Very high92.3Very high130 Ų13074.4 Ų74.457%0.56539%0.393SS*.PPolyproline II helixtrans-54.7124.6-174.9-65.9175.9-179.1174.40110.4L236 Q237 D238K234-L236 VanDerWaalsContact C-N 3.27Å; K234-L236 PolarHBondContact O-N 2.99Å; K234-Q237 HydrophobicContact CB-CB 4.3Å; K234-Q237 HydrophobicContact CB-CG 4.15Å; K234-Q237 CarbonylContact O-C 3.5Å; K234-Q237 WeakPolarHBondContact O-CA 3.31Å; K234-Q237 WeakPolarHBondContact O-CB 3.31Å; K234-Q237 PolarHBondContact O-N 3.21Å; K234-D238 PolarHBondContact O-N 2.91Å
235L96.1Very high93Very high5 Ų567.3 Ų67.33%0.02636%0.361CS..G310 helixtrans-56.3-38.7-177.7177.561.7000113.4H191 P192 Y193 H233 Q237 D238 V241 L256H191-L235 HydrophobicContact CB-CD2 3.77Å; P192-L235 HydrophobicContact CB-CD1 4.06Å; P192-L235 HydrophobicContact CG-CD1 4.45Å; Y193-L235 HydrophobicContact CD1-CD1 3.85Å; Y193-L235 HydrophobicContact CD2-CB 4.27Å; Y193-L235 HydrophobicContact CD2-CD1 4.29Å; Y193-L235 HydrophobicContact CE1-CD1 3.73Å; Y193-L235 HydrophobicContact CE2-CB 4.04Å; Y193-L235 HydrophobicContact CE2-CD1 4.22Å; Y193-L235 HydrophobicContact CG-CD1 4.14Å; H233-L235 PolarHBondContact O-N 3.4Å; L235-Q237 PolarHBondContact O-N 3.38Å; L235-Q237 VanDerWaalsContact O-N 3.07Å; L235-D238 WeakPolarHBondContact O-CB 3.33Å; L235-D238 PolarHBondContact O-N 3.18Å; L235-D238 VanDerWaalsContact O-N 3.11Å; L235-V241 HydrophobicContact CD1-CG2 4.22Å; L235-L256 HydrophobicContact CD1-CD2 4.09Å; L235-L256 HydrophobicContact CD2-CD1 4.06Å; L235-L256 HydrophobicContact CD2-CD2 4.01Å; L235-L256 HydrophobicContact CG-CD1 3.86Å; L235-L256 HydrophobicContact CG-CD2 3.93Å
236L96.8Very high93.7Very high56 Ų5672.6 Ų72.629%0.29338%0.377SS..G310 helixtrans-62-13174.3-75.3166.6000114.2F216 P219 K234 P252 A253 L256F216-L236 HydrophobicContact CB-CD1 4.05Å; F216-L236 HydrophobicContact CB-CD2 4.41Å; F216-L236 HydrophobicContact CB-CG 4.13Å; F216-L236 HydrophobicContact CD1-CD2 3.99Å; F216-L236 HydrophobicContact CE1-CD2 4.5Å; F216-L236 HydrophobicContact CG-CD1 4.36Å; F216-L236 HydrophobicContact CG-CD2 4.22Å; F216-L236 HydrophobicContact CG-CG 4.45Å; P219-L236 HydrophobicContact CG-CD1 4.23Å; K234-L236 VanDerWaalsContact C-N 3.27Å; K234-L236 PolarHBondContact O-N 2.99Å; L236-P252 HydrophobicContact CD2-CB 4.31Å; L236-P252 WeakPolarHBondContact O-CB 3.27Å; L236-A253 HydrophobicContact CD2-CB 4.04Å; L236-L256 HydrophobicContact CD2-CD1 3.73Å; L236-L256 HydrophobicContact CG-CD1 4.22Å
237Q96.9Very high94.1Very high135 Ų13573.1 Ų73.163%0.63138%0.38SS*.G310 helixtrans-115.77-179.4-57.9179.1-11.300111.9K234 L235K234-Q237 HydrophobicContact CB-CB 4.3Å; K234-Q237 HydrophobicContact CB-CG 4.15Å; K234-Q237 CarbonylContact O-C 3.5Å; K234-Q237 WeakPolarHBondContact O-CA 3.31Å; K234-Q237 WeakPolarHBondContact O-CB 3.31Å; K234-Q237 PolarHBondContact O-N 3.21Å; L235-Q237 PolarHBondContact O-N 3.38Å; L235-Q237 VanDerWaalsContact O-N 3.07Å
238D98.1Very high94.6Very high13 Ų1371 Ų717%0.0737%0.373CS..  trans-64.2132.4177.8-174.5-71.5000109.9Y193 K234 L235 V240 V241 A242 R301Y193-D238 PolarHBondContact OH-OD2 3.2Å; K234-D238 PolarHBondContact O-N 2.91Å; L235-D238 WeakPolarHBondContact O-CB 3.33Å; L235-D238 PolarHBondContact O-N 3.18Å; L235-D238 VanDerWaalsContact O-N 3.11Å; D238-V240 VanDerWaalsContact C-N 3.28Å; D238-V240 PolarHBondContact O-N 3.31Å; D238-V240 WeakPolarHBondContact OD1-CB 3.42Å; D238-V240 PolarHBondContact OD1-N 2.84Å; D238-V241 HydrophobicContact CB-CB 4.3Å; D238-V241 HydrophobicContact CB-CG2 3.9Å; D238-V241 PolarHBondContact O-N 3.14Å; D238-V241 VanDerWaalsContact O-N 3.15Å; D238-A242 PolarHBondContact O-N 3.41Å; D238-R301 IonicContact OD2-NH2 3.51Å
239P98.2Very high95.2Very high91 Ų9178.9 Ų78.959%0.59139%0.385SS*.Hα-helixtrans-56.7-37.6-178.1-26.635.1000114.1A242 D243P239-A242 PolarHBondContact O-N 3.35Å; P239-D243 WeakPolarHBondContact O-CB 3.37Å; P239-D243 VanDerWaalsContact O-CG 3.3Å; P239-D243 PolarHBondContact O-N 3.08Å
240V98.5Very high95.8Very high49 Ų4972.7 Ų72.730%0.29735%0.354SS..Hα-helixtrans-65-44.2178.6175.70000109.8D238 A242 D243 I244 A295 L299D238-V240 VanDerWaalsContact C-N 3.28Å; D238-V240 PolarHBondContact O-N 3.31Å; D238-V240 WeakPolarHBondContact OD1-CB 3.42Å; D238-V240 PolarHBondContact OD1-N 2.84Å; V240-A242 VanDerWaalsContact C-N 3.33Å; V240-A242 PolarHBondContact O-N 2.85Å; V240-D243 PolarHBondContact O-N 3.08Å; V240-I244 HydrophobicContact CG1-CD1 3.9Å; V240-I244 VanDerWaalsContact O-CG1 3.27Å; V240-I244 WeakPolarHBondContact O-CG1 2.95Å; V240-I244 PolarHBondContact O-N 3.4Å; V240-A295 HydrophobicContact CG1-CB 3.88Å; V240-L299 HydrophobicContact CB-CD1 4.22Å; V240-L299 HydrophobicContact CB-CD2 4.01Å; V240-L299 HydrophobicContact CB-CG 4.44Å; V240-L299 HydrophobicContact CG1-CD1 4.36Å; V240-L299 HydrophobicContact CG1-CD2 4.47Å; V240-L299 HydrophobicContact CG1-CG 4.49Å; V240-L299 HydrophobicContact CG2-CD2 3.88Å
241V98.7Very high96.4Very high0 Ų070.4 Ų70.40%033%0.333CS..Hα-helixtrans-63-42.1176.1-177.80000110.5L235 D238 A245 P252 V255 L256 L296 L299L235-V241 HydrophobicContact CD1-CG2 4.22Å; D238-V241 HydrophobicContact CB-CB 4.3Å; D238-V241 HydrophobicContact CB-CG2 3.9Å; D238-V241 PolarHBondContact O-N 3.14Å; D238-V241 VanDerWaalsContact O-N 3.15Å; V241-A245 WeakPolarHBondContact O-CB 3.43Å; V241-A245 PolarHBondContact O-N 2.79Å; V241-P252 HydrophobicContact CG1-CB 3.76Å; V241-V255 HydrophobicContact CG1-CB 4.48Å; V241-V255 HydrophobicContact CG1-CG1 4.39Å; V241-L256 HydrophobicContact CG1-CD1 4.45Å; V241-L256 HydrophobicContact CG1-CD2 4.05Å; V241-L256 HydrophobicContact CG1-CG 3.97Å; V241-L256 HydrophobicContact CG2-CD2 3.89Å; V241-L296 HydrophobicContact CG2-CD2 3.9Å; V241-L299 HydrophobicContact CG2-CD1 3.93Å
242A98.6Very high96.9Very high34 Ų3471 Ų7128%0.28134%0.338SS..Hα-helixtrans-65.4-39179.100000112.9D238 P239 V240 A245 R246D238-A242 PolarHBondContact O-N 3.41Å; P239-A242 PolarHBondContact O-N 3.35Å; V240-A242 VanDerWaalsContact C-N 3.33Å; V240-A242 PolarHBondContact O-N 2.85Å; A242-A245 PolarHBondContact O-N 2.66Å; A242-R246 WeakPolarHBondContact O-CB 3.25Å; A242-R246 PolarHBondContact O-N 3.28Å
243D98.7Very high97.3Very high83 Ų8370 Ų7044%0.44433%0.334SS..Hα-helixtrans-69.8-42.4178.7-74.1-19.4000111.7P239 V240 R246 K247P239-D243 WeakPolarHBondContact O-CB 3.37Å; P239-D243 VanDerWaalsContact O-CG 3.3Å; P239-D243 PolarHBondContact O-N 3.08Å; V240-D243 PolarHBondContact O-N 3.08Å; D243-R246 PolarHBondContact O-N 2.83Å; D243-R246 IonicContact OD1-CZ 3.35Å; D243-R246 VanDerWaalsContact OD1-CZ 3.27Å; D243-R246 IonicContact OD1-NH1 2.57Å; D243-R246 PolarHBondContact OD1-NH1 2.87Å; D243-R246 IonicContact OD1-NH2 2.77Å; D243-R246 PolarHBondContact OD1-NH2 3.33Å; D243-K247 WeakPolarHBondContact O-CB 3.31Å; D243-K247 PolarHBondContact O-N 3Å
244I98.8Very high97.9Very high8 Ų863.1 Ų63.14%0.04130%0.302CS..Hα-helixtrans-62.9-43.9173.2-64.7168000110.2V240 R246 K247 H248 V255 L288 D292 A295 L296V240-I244 HydrophobicContact CG1-CD1 3.9Å; V240-I244 VanDerWaalsContact O-CG1 3.27Å; V240-I244 WeakPolarHBondContact O-CG1 2.95Å; V240-I244 PolarHBondContact O-N 3.4Å; I244-R246 VanDerWaalsContact C-N 3.31Å; I244-R246 PolarHBondContact O-N 3.36Å; I244-K247 WeakPolarHBondContact O-CB 3.36Å; I244-K247 PolarHBondContact O-N 3.12Å; I244-H248 PolarHBondContact O-CD2 3.33Å; I244-H248 VanDerWaalsContact O-CD2 3.25Å; I244-H248 PolarHBondContact O-N 3.15Å; I244-V255 HydrophobicContact CB-CG1 4.18Å; I244-V255 HydrophobicContact CG2-CG1 3.62Å; I244-V255 HydrophobicContact CG2-CG2 4.04Å; I244-L288 HydrophobicContact CG2-CD2 3.66Å; I244-D292 HydrophobicContact CD1-CB 4.16Å; I244-D292 HydrophobicContact CG1-CB 4.29Å; I244-D292 HydrophobicContact CG2-CB 4.08Å; I244-A295 HydrophobicContact CD1-CB 4.2Å; I244-L296 HydrophobicContact CD1-CD1 4.15Å; I244-L296 HydrophobicContact CD1-CD2 3.89Å; I244-L296 HydrophobicContact CD1-CG 3.65Å
245A98.7Very high98.2Very high4 Ų457 Ų573%0.03328%0.275CS..Hα-helixtrans-57.7-44176.700000111.8V241 A242 H248 R249 R250 P252 V255V241-A245 WeakPolarHBondContact O-CB 3.43Å; V241-A245 PolarHBondContact O-N 2.79Å; A242-A245 PolarHBondContact O-N 2.66Å; A245-H248 PolarHBondContact O-N 3.48Å; A245-R249 PolarHBondContact O-N 3.38Å; A245-R250 CarbonylContact C-O 3.57Å; A245-R250 WeakPolarHBondContact CB-O 3.07Å; A245-R250 PolarHBondContact O-N 2.87Å; A245-R250 VanDerWaalsContact O-O 3.08Å; A245-P252 HydrophobicContact CB-CG 4.2Å; A245-V255 HydrophobicContact CB-CG2 3.86Å
246R98.6Very high98.3Very high166 Ų16656.7 Ų56.763%0.62627%0.274SS*.Hα-helixtrans-63.8-45.1176.1-163.1-174.1-49.2110.111112A242 D243 I244 H248 R249A242-R246 WeakPolarHBondContact O-CB 3.25Å; A242-R246 PolarHBondContact O-N 3.28Å; D243-R246 PolarHBondContact O-N 2.83Å; D243-R246 IonicContact OD1-CZ 3.35Å; D243-R246 VanDerWaalsContact OD1-CZ 3.27Å; D243-R246 IonicContact OD1-NH1 2.57Å; D243-R246 PolarHBondContact OD1-NH1 2.87Å; D243-R246 IonicContact OD1-NH2 2.77Å; D243-R246 PolarHBondContact OD1-NH2 3.33Å; I244-R246 VanDerWaalsContact C-N 3.31Å; I244-R246 PolarHBondContact O-N 3.36Å; R246-H248 VanDerWaalsContact C-N 3.26Å; R246-H248 PolarHBondContact O-N 3.5Å; R246-R249 PolarHBondContact O-N 3.06Å
247K98.5Very high98.4Very high126 Ų12654 Ų5455%0.54826%0.26SS..Hα-helixtrans-54.6-43.2176.6178.5-174.8176.4-171.30111.5D243 I244 D292D243-K247 WeakPolarHBondContact O-CB 3.31Å; D243-K247 PolarHBondContact O-N 3Å; I244-K247 WeakPolarHBondContact O-CB 3.36Å; I244-K247 PolarHBondContact O-N 3.12Å; K247-D292 IonicContact NZ-OD1 2.88Å; K247-D292 PolarHBondContact NZ-OD1 3.2Å; K247-D292 IonicContact NZ-OD2 3.96Å; K247-D292 PolarHBondContact NZ-OD2 3.32Å
248H98.3Very high98.5Very high41 Ų4147.6 Ų47.619%0.1923%0.23CC..Hα-helixtrans-91.4-3.1-176.4-72.2-75000115I244 A245 R246 R250 F286 D287 D292I244-H248 PolarHBondContact O-CD2 3.33Å; I244-H248 VanDerWaalsContact O-CD2 3.25Å; I244-H248 PolarHBondContact O-N 3.15Å; A245-H248 PolarHBondContact O-N 3.48Å; R246-H248 VanDerWaalsContact C-N 3.26Å; R246-H248 PolarHBondContact O-N 3.5Å; H248-R250 HydrophobicContact CB-CB 4.35Å; H248-R250 HydrophobicContact CB-CG 4.14Å; H248-R250 PolarHBondContact O-N 2.89Å; H248-F286 HydrophobicContact CB-CD2 4.14Å; H248-F286 HydrophobicContact CB-CE2 4.38Å; H248-D287 PolarHBondContact CE1-O 3.2Å; H248-D287 PolarHBondContact ND1-O 3.28Å; H248-D292 IonicContact CD2-OD2 3.65Å; H248-D292 IonicContact CE1-OD2 3.75Å; H248-D292 IonicContact NE2-OD2 2.65Å; H248-D292 PolarHBondContact NE2-OD2 2.71Å
249R98Very high98.5Very high222 Ų22247.1 Ų47.184%0.83823%0.227SC*.THydrogen-bonded Turntrans52.646.7-172.4-50.9179.5-173-169.11.7111.4A245 R246A245-R249 PolarHBondContact O-N 3.38Å; R246-R249 PolarHBondContact O-N 3.06Å
250R98.3Very high98.5Very high73 Ų7342.8 Ų42.828%0.27520%0.199SC..  trans-127.9168.4178.9-69.7-68.6178.9-91.62.8109A245 H248 Q254 D285 F286A245-R250 CarbonylContact C-O 3.57Å; A245-R250 WeakPolarHBondContact CB-O 3.07Å; A245-R250 PolarHBondContact O-N 2.87Å; A245-R250 VanDerWaalsContact O-O 3.08Å; H248-R250 HydrophobicContact CB-CB 4.35Å; H248-R250 HydrophobicContact CB-CG 4.14Å; H248-R250 PolarHBondContact O-N 2.89Å; R250-Q254 HydrophobicContact CB-CB 4.12Å; R250-D285 IonicContact CZ-OD1 3.96Å; R250-D285 IonicContact NE-OD1 2.96Å; R250-D285 PolarHBondContact NE-OD1 3.25Å; R250-D285 IonicContact NH2-OD1 2.8Å; R250-D285 PolarHBondContact NH2-OD1 2.97Å; R250-D285 IonicContact NH2-OD2 3.63Å; R250-D285 PolarHBondContact NH2-OD2 3.32Å; R250-F286 HydrophobicContact CB-CE2 4.42Å; R250-F286 HydrophobicContact CB-CZ 4.25Å; R250-F286 HydrophobicContact CG-CD1 3.9Å; R250-F286 HydrophobicContact CG-CD2 3.99Å; R250-F286 HydrophobicContact CG-CE1 3.85Å; R250-F286 HydrophobicContact CG-CE2 3.95Å; R250-F286 HydrophobicContact CG-CG 3.95Å; R250-F286 HydrophobicContact CG-CZ 3.87Å
251S98.5Very high98.5Very high20 Ų2040.6 Ų40.614%0.1419%0.185CC..  trans-84.5159.1172.565.70000112A253 Q254 V255 E279S251-A253 PolarHBondContact O-N 3.31Å; S251-Q254 PolarHBondContact O-N 2.96Å; S251-Q254 VanDerWaalsContact O-N 3.08Å; S251-Q254 WeakPolarHBondContact OG-CG 3.36Å; S251-Q254 PolarHBondContact OG-N 2.77Å; S251-V255 PolarHBondContact O-N 2.87Å; S251-V255 VanDerWaalsContact O-N 3.08Å; S251-E279 WeakPolarHBondContact CB-OE1 3.19Å; S251-E279 PolarHBondContact OG-OE1 3.38Å
252P98.6Very high98.3Very high39 Ų3942.7 Ų42.725%0.25320%0.195SC..Hα-helixtrans-51.3-39.1171.1-3138.1000113.1L236 V241 A245 V255 L256L236-P252 HydrophobicContact CD2-CB 4.31Å; L236-P252 WeakPolarHBondContact O-CB 3.27Å; V241-P252 HydrophobicContact CG1-CB 3.76Å; A245-P252 HydrophobicContact CB-CG 4.2Å; P252-V255 PolarHBondContact O-N 3.14Å; P252-L256 VanDerWaalsContact O-CG 3.27Å; P252-L256 WeakPolarHBondContact O-CG 3.41Å; P252-L256 PolarHBondContact O-N 2.72Å
253A98.4Very high98.1Very high14 Ų1443.7 Ų43.712%0.11619%0.194CC..Hα-helixtrans-60.8-47.7176.700000111.7F216 L236 S251 V255 L256 L257F216-A253 HydrophobicContact CE1-CB 3.79Å; F216-A253 HydrophobicContact CZ-CB 3.8Å; L236-A253 HydrophobicContact CD2-CB 4.04Å; S251-A253 PolarHBondContact O-N 3.31Å; A253-V255 VanDerWaalsContact C-N 3.33Å; A253-V255 PolarHBondContact O-N 3.26Å; A253-L256 PolarHBondContact O-N 2.74Å; A253-L257 VanDerWaalsContact O-CG 3.31Å; A253-L257 WeakPolarHBondContact O-CG 3.31Å; A253-L257 PolarHBondContact O-N 3.02Å
254Q98.7Very high98Very high17 Ų1741.4 Ų41.48%0.07919%0.19CC..Hα-helixtrans-62.1-39.7178.3-71.1171.6-37.800112.2R250 S251 L257 R258 E279 V283 F286R250-Q254 HydrophobicContact CB-CB 4.12Å; S251-Q254 PolarHBondContact O-N 2.96Å; S251-Q254 VanDerWaalsContact O-N 3.08Å; S251-Q254 WeakPolarHBondContact OG-CG 3.36Å; S251-Q254 PolarHBondContact OG-N 2.77Å; Q254-L257 PolarHBondContact O-N 3.36Å; Q254-R258 VanDerWaalsContact O-CB 3.24Å; Q254-R258 WeakPolarHBondContact O-CB 3.45Å; Q254-R258 PolarHBondContact O-N 3.09Å; Q254-E279 HydrophobicContact CG-CG 4.11Å; Q254-E279 PolarHBondContact NE2-O 3.18Å; Q254-V283 HydrophobicContact CB-CG1 4.39Å; Q254-V283 HydrophobicContact CG-CG1 4.37Å; Q254-F286 HydrophobicContact CB-CE1 4.18Å; Q254-F286 HydrophobicContact CB-CZ 4.16Å
255V98.8Very high98Very high0 Ų041.4 Ų41.40%019%0.19CC..Hα-helixtrans-61.6-47.7175.6171.80000111.3V241 I244 A245 S251 P252 A253 L257 R258 F259 L288 L296V241-V255 HydrophobicContact CG1-CB 4.48Å; V241-V255 HydrophobicContact CG1-CG1 4.39Å; I244-V255 HydrophobicContact CB-CG1 4.18Å; I244-V255 HydrophobicContact CG2-CG1 3.62Å; I244-V255 HydrophobicContact CG2-CG2 4.04Å; A245-V255 HydrophobicContact CB-CG2 3.86Å; S251-V255 PolarHBondContact O-N 2.87Å; S251-V255 VanDerWaalsContact O-N 3.08Å; P252-V255 PolarHBondContact O-N 3.14Å; A253-V255 VanDerWaalsContact C-N 3.33Å; A253-V255 PolarHBondContact O-N 3.26Å; V255-L257 VanDerWaalsContact C-N 3.31Å; V255-L257 PolarHBondContact O-N 2.85Å; V255-R258 PolarHBondContact O-N 3.29Å; V255-F259 PolarHBondContact O-N 3.26Å; V255-L288 HydrophobicContact CG1-CD1 4.4Å; V255-L288 HydrophobicContact CG1-CD2 4.4Å; V255-L296 HydrophobicContact CG1-CD1 3.92Å; V255-L296 HydrophobicContact CG1-CD2 4.31Å
256L98.8Very high98Very high0 Ų041.2 Ų41.20%019%0.189CC..Hα-helixtrans-63.1-36.6179-66.8175000112.4P192 F216 L235 L236 V241 P252 A253 F259 H260P192-L256 HydrophobicContact CG-CD2 3.58Å; F216-L256 HydrophobicContact CD1-CB 4.11Å; F216-L256 HydrophobicContact CD1-CD1 3.88Å; F216-L256 HydrophobicContact CE1-CB 4.25Å; L235-L256 HydrophobicContact CD1-CD2 4.09Å; L235-L256 HydrophobicContact CD2-CD1 4.06Å; L235-L256 HydrophobicContact CD2-CD2 4.01Å; L235-L256 HydrophobicContact CG-CD1 3.86Å; L235-L256 HydrophobicContact CG-CD2 3.93Å; L236-L256 HydrophobicContact CD2-CD1 3.73Å; L236-L256 HydrophobicContact CG-CD1 4.22Å; V241-L256 HydrophobicContact CG1-CD1 4.45Å; V241-L256 HydrophobicContact CG1-CD2 4.05Å; V241-L256 HydrophobicContact CG1-CG 3.97Å; V241-L256 HydrophobicContact CG2-CD2 3.89Å; P252-L256 VanDerWaalsContact O-CG 3.27Å; P252-L256 WeakPolarHBondContact O-CG 3.41Å; P252-L256 PolarHBondContact O-N 2.72Å; A253-L256 PolarHBondContact O-N 2.74Å; L256-F259 WeakPolarHBondContact O-CB 2.93Å; L256-H260 PolarHBondContact O-CD2 3.37Å
257L98.8Very high98Very high0 Ų033.3 Ų33.30%016%0.159CC..Hα-helixtrans-71.5-42.2173.7-63.7177.2000111.6P215 F216 A253 Q254 V255 F259 H260 V261 V267 P269 N280 V283P215-L257 HydrophobicContact CB-CD2 3.98Å; P215-L257 HydrophobicContact CG-CD2 3.85Å; F216-L257 HydrophobicContact CE1-CD1 4.31Å; F216-L257 HydrophobicContact CE1-CD2 3.84Å; F216-L257 HydrophobicContact CE1-CG 3.78Å; F216-L257 HydrophobicContact CZ-CD1 3.97Å; F216-L257 HydrophobicContact CZ-CD2 3.92Å; F216-L257 HydrophobicContact CZ-CG 3.91Å; A253-L257 VanDerWaalsContact O-CG 3.31Å; A253-L257 WeakPolarHBondContact O-CG 3.31Å; A253-L257 PolarHBondContact O-N 3.02Å; Q254-L257 PolarHBondContact O-N 3.36Å; V255-L257 VanDerWaalsContact C-N 3.31Å; V255-L257 PolarHBondContact O-N 2.85Å; L257-F259 VanDerWaalsContact C-N 3.26Å; L257-F259 PolarHBondContact O-N 3Å; L257-H260 PolarHBondContact O-N 3.34Å; L257-H260 VanDerWaalsContact O-N 3.14Å; L257-V261 PolarHBondContact O-N 3.21Å; L257-V261 VanDerWaalsContact O-N 3.14Å; L257-V267 HydrophobicContact CB-CG2 4.42Å; L257-V267 HydrophobicContact CD2-CB 4.02Å; L257-V267 HydrophobicContact CD2-CG1 4.44Å; L257-V267 HydrophobicContact CD2-CG2 3.83Å; L257-P269 HydrophobicContact CD1-CB 4.38Å; L257-P269 HydrophobicContact CD1-CG 3.92Å; L257-P269 HydrophobicContact CD2-CB 3.88Å; L257-P269 HydrophobicContact CD2-CG 3.71Å; L257-P269 HydrophobicContact CG-CG 4.49Å; L257-N280 HydrophobicContact CD1-CB 3.72Å; L257-V283 HydrophobicContact CB-CB 4.41Å; L257-V283 HydrophobicContact CB-CG1 3.64Å; L257-V283 HydrophobicContact CD1-CG1 3.87Å; L257-V283 HydrophobicContact CG-CG1 4.4Å
258R98.5Very high98Very high0 Ų027.7 Ų27.70%014%0.135CC..Hα-helixtrans-59.5-39.9179.7-175.365.8-163.3178.5-3.6111.8Q5 Q254 V255 H260 V261 Q262 V283 F286 D287 L288Q5-R258 VanDerWaalsContact CD-NH2 3.33Å; Q5-R258 VanDerWaalsContact OE1-CZ 3.31Å; Q254-R258 VanDerWaalsContact O-CB 3.24Å; Q254-R258 WeakPolarHBondContact O-CB 3.45Å; Q254-R258 PolarHBondContact O-N 3.09Å; V255-R258 PolarHBondContact O-N 3.29Å; R258-H260 PolarHBondContact O-N 2.77Å; R258-H260 VanDerWaalsContact O-N 3.12Å; R258-V261 PolarHBondContact O-N 2.97Å; R258-Q262 VanDerWaalsContact O-CB 3.25Å; R258-Q262 WeakPolarHBondContact O-CB 3.31Å; R258-Q262 PolarHBondContact O-N 2.99Å; R258-V283 WeakPolarHBondContact CD-O 3.45Å; R258-V283 PolarHBondContact NH1-O 3.07Å; R258-F286 HydrophobicContact CB-CE1 4.02Å; R258-F286 HydrophobicContact CB-CE2 3.86Å; R258-F286 HydrophobicContact CB-CZ 3.38Å; R258-F286 VanDerWaalsContact CD-O 3.3Å; R258-F286 WeakPolarHBondContact CD-O 3.42Å; R258-F286 HydrophobicContact CG-CD2 4.33Å; R258-F286 HydrophobicContact CG-CE1 4.22Å; R258-F286 HydrophobicContact CG-CE2 3.77Å; R258-F286 HydrophobicContact CG-CZ 3.72Å; R258-F286 PolarHBondContact NE-O 3.07Å; R258-F286 PolarHBondContact NH1-O 3.47Å; R258-F286 PolarHBondContact NH2-O 2.92Å; R258-D287 IonicContact CZ-OD1 3.79Å; R258-D287 IonicContact NH2-OD1 2.74Å; R258-D287 PolarHBondContact NH2-OD1 3.31Å; R258-L288 HydrophobicContact CB-CD1 4.05Å; R258-L288 HydrophobicContact CB-CG 4.27Å; R258-L288 HydrophobicContact CG-CD1 3.94Å; R258-L288 HydrophobicContact CG-CG 3.72Å
259F98.3Very high98Very high3 Ų325.8 Ų25.81%0.01313%0.126CC..Hα-helixtrans-48.3-38.9175.3177.2-113000113.1P192 V195 V255 L256 L257 Q263 L288 M293 L296 R297P192-F259 HydrophobicContact CG-CD1 4.06Å; P192-F259 HydrophobicContact CG-CE1 4.2Å; V195-F259 HydrophobicContact CG2-CZ 4.42Å; V255-F259 PolarHBondContact O-N 3.26Å; L256-F259 WeakPolarHBondContact O-CB 2.93Å; L257-F259 VanDerWaalsContact C-N 3.26Å; L257-F259 PolarHBondContact O-N 3Å; F259-Q263 PolarHBondContact O-NE2 3.36Å; F259-L288 HydrophobicContact CB-CD1 4.4Å; F259-M293 HydrophobicContact CD2-CE 3.89Å; F259-M293 HydrophobicContact CD2-SD 3.9Å; F259-M293 HydrophobicContact CE2-CE 4.2Å; F259-M293 WeakPolarHBondContact O-CE 3.18Å; F259-L296 HydrophobicContact CB-CD1 4.04Å; F259-L296 HydrophobicContact CD2-CB 3.71Å; F259-L296 HydrophobicContact CD2-CD1 3.73Å; F259-L296 HydrophobicContact CD2-CG 4.37Å; F259-L296 HydrophobicContact CE2-CB 3.74Å; F259-L296 HydrophobicContact CG-CB 4.45Å; F259-L296 HydrophobicContact CG-CD1 4.14Å; F259-R297 HydrophobicContact CE2-CG 3.98Å; F259-R297 HydrophobicContact CZ-CG 4.12Å
260H98Very high97.8Very high0 Ų018.9 Ų18.90%010%0.102CC..Hα-helixtrans-89.1-49.7-179.6-62.8-63.4000112.6L190 L256 L257 R258 Q262 Q263 I265 V267L190-H260 PolarHBondContact O-CE1 3.03Å; L190-H260 PolarHBondContact O-NE2 2.94Å; L256-H260 PolarHBondContact O-CD2 3.37Å; L257-H260 PolarHBondContact O-N 3.34Å; L257-H260 VanDerWaalsContact O-N 3.14Å; R258-H260 PolarHBondContact O-N 2.77Å; R258-H260 VanDerWaalsContact O-N 3.12Å; H260-Q262 PolarHBondContact O-N 3.25Å; H260-Q263 PolarHBondContact O-N 3.46Å; H260-I265 CarbonylContact C-O 3.58Å; H260-I265 HydrophobicContact CB-CB 4.16Å; H260-I265 HydrophobicContact CB-CG2 4.31Å; H260-I265 PolarHBondContact O-N 3.29Å; H260-I265 VanDerWaalsContact O-N 3.1Å; H260-V267 HydrophobicContact CB-CG1 3.19Å
261V97.4Very high97.7Very high2 Ų215.8 Ų15.81%0.0129%0.091CC..Hα-helixtrans-63.3-32.7-174.1-57.70000112.2L19 L257 R258 Q263 G264 V267 F284L19-V261 HydrophobicContact CB-CB 4.46Å; L19-V261 HydrophobicContact CB-CG1 4.26Å; L257-V261 PolarHBondContact O-N 3.21Å; L257-V261 VanDerWaalsContact O-N 3.14Å; R258-V261 PolarHBondContact O-N 2.97Å; V261-Q263 PolarHBondContact O-N 2.91Å; V261-G264 PolarHBondContact O-N 3.03Å; V261-V267 HydrophobicContact CG1-CG1 4.37Å; V261-V267 HydrophobicContact CG1-CG2 3.6Å; V261-F284 HydrophobicContact CB-CE1 4.42Å
262Q95.6Very high97.2Very high44 Ų4415.5 Ų15.521%0.2069%0.088CC..THydrogen-bonded Turntrans-64.5-24.8177-168.8168.5-63.800112.8R258 H260 G264 L288R258-Q262 VanDerWaalsContact O-CB 3.25Å; R258-Q262 WeakPolarHBondContact O-CB 3.31Å; R258-Q262 PolarHBondContact O-N 2.99Å; H260-Q262 PolarHBondContact O-N 3.25Å; Q262-G264 VanDerWaalsContact C-N 3.34Å; Q262-L288 PolarHBondContact NE2-O 2.98Å
263Q94.6Very high97Very high56 Ų5616.3 Ų16.326%0.2629%0.088SC..THydrogen-bonded Turntrans-94.38.2177.5-58.6-17784.900112.5F259 H260 V261 I265 M293F259-Q263 PolarHBondContact O-NE2 3.36Å; H260-Q263 PolarHBondContact O-N 3.46Å; V261-Q263 PolarHBondContact O-N 2.91Å; Q263-I265 HydrophobicContact CB-CD1 4.35Å; Q263-I265 HydrophobicContact CB-CG1 4.42Å; Q263-M293 VanDerWaalsContact CD-CE 3.45Å; Q263-M293 HydrophobicContact CG-CE 3.49Å; Q263-M293 VanDerWaalsContact CG-CE 3.49Å
264G96.4Very high96.8Very high35 Ų3519.5 Ų19.536%0.36111%0.107SC..THydrogen-bonded Turntrans73.523.8-176.400000113.8I9 V261 Q262 P266I9-G264 WeakPolarHBondContact CG2-O 3.32Å; V261-G264 PolarHBondContact O-N 3.03Å; Q262-G264 VanDerWaalsContact C-N 3.34Å; G264-P266 WeakPolarHBondContact O-CD 3.4Å
265I98.2Very high96.7Very high8 Ų824.2 Ų24.24%0.04113%0.129CC..  trans-102111.7178-60.3173.6000108.7L190 I200 L210 A212 H260 Q263L190-I265 HydrophobicContact CD2-CD1 3.88Å; L190-I265 HydrophobicContact CD2-CG2 4.02Å; I200-I265 HydrophobicContact CD1-CD1 4.32Å; L210-I265 HydrophobicContact CB-CG2 4.28Å; A212-I265 HydrophobicContact CB-CG2 4.09Å; H260-I265 CarbonylContact C-O 3.58Å; H260-I265 HydrophobicContact CB-CB 4.16Å; H260-I265 HydrophobicContact CB-CG2 4.31Å; H260-I265 PolarHBondContact O-N 3.29Å; H260-I265 VanDerWaalsContact O-N 3.1Å; Q263-I265 HydrophobicContact CB-CD1 4.35Å; Q263-I265 HydrophobicContact CB-CG1 4.42Å
266P98.6Very high96.6Very high0 Ų027.4 Ų27.40%014%0.144CC..  trans-53.1139.7170.9-29.230.7000113.5I9 M17 L19 L210 T211 A212 G264I9-P266 HydrophobicContact CD1-CG 3.48Å; I9-P266 VanDerWaalsContact CD1-CG 3.48Å; I9-P266 HydrophobicContact CG1-CG 3.97Å; M17-P266 HydrophobicContact CE-CB 4.1Å; M17-P266 HydrophobicContact CE-CG 4.37Å; M17-P266 HydrophobicContact CG-CG 4.49Å; M17-P266 HydrophobicContact SD-CG 4.22Å; L19-P266 HydrophobicContact CD2-CG 4.14Å; L19-P266 CarbonylContact O-C 3.59Å; L19-P266 WeakPolarHBondContact O-CA 3.35Å; L210-P266 VanDerWaalsContact O-CD 3.26Å; L210-P266 WeakPolarHBondContact O-CD 3.46Å; T211-P266 CarbonylContact C-O 3.55Å; T211-P266 WeakPolarHBondContact CA-O 3.26Å; T211-P266 HydrophobicContact CG2-CB 4.29Å; A212-P266 PolarHBondContact N-O 3.23Å; G264-P266 WeakPolarHBondContact O-CD 3.4Å
267V98.6Very high96.6Very high0 Ų027.4 Ų27.40%014%0.144CC..BIsolated β-bridgetrans-121.8143.7177.6-67.10000111.2L19 L20 G21 A212 L257 H260 V261 P269L19-V267 PolarHBondContact O-N 2.72Å; L20-V267 HydrophobicContact CD1-CG2 3.78Å; G21-V267 PolarHBondContact N-O 3.21Å; A212-V267 HydrophobicContact CB-CG1 4.05Å; L257-V267 HydrophobicContact CB-CG2 4.42Å; L257-V267 HydrophobicContact CD2-CB 4.02Å; L257-V267 HydrophobicContact CD2-CG1 4.44Å; L257-V267 HydrophobicContact CD2-CG2 3.83Å; H260-V267 HydrophobicContact CB-CG1 3.19Å; V261-V267 HydrophobicContact CG1-CG1 4.37Å; V261-V267 HydrophobicContact CG1-CG2 3.6Å; V267-P269 VanDerWaalsContact C-CD 3.45Å; V267-P269 WeakPolarHBondContact O-CD 3.41Å
268I98.6Very high96.6Very high8 Ų831.6 Ų31.64%0.04117%0.166CC..  trans-126.263-178.751164000112.3G21 H47 D49 Q187 T211 A212 K270G21-I268 WeakPolarHBondContact O-CA 3.48Å; H47-I268 VanDerWaalsContact CE1-CG2 3.47Å; H47-I268 WeakPolarHBondContact CE1-CG2 3.3Å; D49-I268 HydrophobicContact CB-CB 4.11Å; D49-I268 HydrophobicContact CB-CD1 3.82Å; D49-I268 HydrophobicContact CB-CG2 3.79Å; D49-I268 WeakPolarHBondContact OD1-CD1 3.29Å; Q187-I268 HydrophobicContact CG-CD1 4.38Å; T211-I268 HydrophobicContact CG2-CD1 4.27Å; T211-I268 HydrophobicContact CG2-CG1 4.12Å; T211-I268 HydrophobicContact CG2-CG2 4.08Å; A212-I268 WeakPolarHBondContact O-CG1 3.42Å; A212-I268 PolarHBondContact O-N 2.96Å; I268-K270 PolarHBondContact O-N 3.28Å
269P97.8Very high96.5Very high1 Ų134.4 Ų34.41%0.00618%0.179CC..  trans-59.2137176.125.3-34.9000111.8L20 G21 G23 P215 F216 L257 V267L20-P269 HydrophobicContact CD1-CG 3.9Å; G21-P269 VanDerWaalsContact O-CD 3.31Å; G21-P269 WeakPolarHBondContact O-CD 3.49Å; G23-P269 PolarHBondContact N-O 2.81Å; P215-P269 HydrophobicContact CG-CB 4.2Å; F216-P269 HydrophobicContact CE2-CB 3.63Å; F216-P269 HydrophobicContact CZ-CB 3.79Å; L257-P269 HydrophobicContact CD1-CB 4.38Å; L257-P269 HydrophobicContact CD1-CG 3.92Å; L257-P269 HydrophobicContact CD2-CB 3.88Å; L257-P269 HydrophobicContact CD2-CG 3.71Å; L257-P269 HydrophobicContact CG-CG 4.49Å; V267-P269 VanDerWaalsContact C-CD 3.45Å; V267-P269 WeakPolarHBondContact O-CD 3.41Å
270K95.3Very high96.5Very high77 Ų7734.5 Ų34.534%0.33518%0.179SC..  trans-90133.2168.5175.3-96.9-170.2-97.50110.2G23 F28 I268 D272G23-K270 WeakPolarHBondContact O-CA 3.48Å; G23-K270 VanDerWaalsContact O-CB 3.31Å; G23-K270 WeakPolarHBondContact O-CB 3.42Å; G23-K270 WeakPolarHBondContact O-CG 3.34Å; F28-K270 HydrophobicContact CD1-CD 4.46Å; F28-K270 HydrophobicContact CD1-CG 4.45Å; F28-K270 HydrophobicContact CE1-CD 3.92Å; F28-K270 HydrophobicContact CE1-CG 3.47Å; F28-K270 VanDerWaalsContact CE1-CG 3.47Å; F28-K270 HydrophobicContact CZ-CG 3.93Å; I268-K270 PolarHBondContact O-N 3.28Å; K270-D272 IonicContact NZ-OD1 3.49Å; K270-D272 IonicContact NZ-OD2 2.61Å; K270-D272 PolarHBondContact NZ-OD2 2.66Å
271S94.5Very high96.5Very high7 Ų735.2 Ų35.25%0.04919%0.185CC..  trans-152.9143.2165.7179.60000109.5K273 H276 I277S271-K273 PolarHBondContact OG-N 2.87Å; S271-K273 VanDerWaalsContact OG-N 3.15Å; S271-K273 PolarHBondContact OG-O 3.22Å; S271-H276 VanDerWaalsContact OG-CB 3.31Å; S271-H276 WeakPolarHBondContact OG-CB 3.27Å; S271-I277 WeakPolarHBondContact O-CD1 3.24Å
272D88.7Confident96.5Very high14 Ų1439.8 Ų39.88%0.07520%0.204CC..  trans-107.60.6170.955.6-6.4000112.7F28 E29 Q30 A31 K270F28-D272 HydrophobicContact CB-CB 3.53Å; F28-D272 HydrophobicContact CD1-CB 4.2Å; F28-D272 HydrophobicContact CD2-CB 3.46Å; F28-D272 VanDerWaalsContact CD2-CB 3.46Å; F28-D272 HydrophobicContact CE2-CB 4.16Å; F28-D272 HydrophobicContact CG-CB 3.47Å; F28-D272 VanDerWaalsContact CG-CB 3.47Å; E29-D272 PolarHBondContact N-OD2 3.15Å; Q30-D272 PolarHBondContact N-OD2 2.97Å; A31-D272 WeakPolarHBondContact CB-O 3.41Å; K270-D272 IonicContact NZ-OD1 3.49Å; K270-D272 IonicContact NZ-OD2 2.61Å; K270-D272 PolarHBondContact NZ-OD2 2.66Å
273K94.6Very high96.5Very high56 Ų5637.7 Ų37.724%0.24319%0.194CC..  trans-98.9119.8178.5-46.9-165.4-161.8-160.60110Q30 S271 H275 H276 I277Q30-K273 VanDerWaalsContact NE2-CE 3.33Å; Q30-K273 VanDerWaalsContact NE2-NZ 3.17Å; S271-K273 PolarHBondContact OG-N 2.87Å; S271-K273 VanDerWaalsContact OG-N 3.15Å; S271-K273 PolarHBondContact OG-O 3.22Å; K273-H275 VanDerWaalsContact C-N 3.28Å; K273-H275 PolarHBondContact O-N 2.84Å; K273-H276 HydrophobicContact CB-CB 4.22Å; K273-H276 PolarHBondContact O-N 2.84Å; K273-H276 VanDerWaalsContact O-N 3.12Å; K273-I277 WeakPolarHBondContact O-CG1 3.34Å; K273-I277 PolarHBondContact O-N 3.19Å
274P95.2Very high96.6Very high81 Ų8136.8 Ų36.853%0.52619%0.19SC..Hα-helixtrans-55-38.4-177.9-30.336.3000114.5A39 I277 L278A39-P274 HydrophobicContact CB-CB 4.2Å; A39-P274 HydrophobicContact CB-CG 4.33Å; P274-I277 PolarHBondContact O-N 2.81Å; P274-L278 WeakPolarHBondContact O-CB 3.44Å; P274-L278 PolarHBondContact O-N 2.84Å
275H96.6Very high96.5Very high116 Ų11639.4 Ų39.454%0.53720%0.195SC..Hα-helixtrans-67.9-40.1179.160.8-87.9000112.6K273 L278 E279K273-H275 VanDerWaalsContact C-N 3.28Å; K273-H275 PolarHBondContact O-N 2.84Å; H275-L278 PolarHBondContact O-N 3.44Å; H275-E279 VanDerWaalsContact O-CB 3.25Å; H275-E279 WeakPolarHBondContact O-CB 3.36Å; H275-E279 PolarHBondContact O-N 3.34Å
276H96.6Very high96.5Very high68 Ų6840 Ų4032%0.31520%0.198SC..Hα-helixtrans-67.7-37.3173.4-70.3173.3000111.8S271 K273 L278 E279 N280S271-H276 VanDerWaalsContact OG-CB 3.31Å; S271-H276 WeakPolarHBondContact OG-CB 3.27Å; K273-H276 HydrophobicContact CB-CB 4.22Å; K273-H276 PolarHBondContact O-N 2.84Å; K273-H276 VanDerWaalsContact O-N 3.12Å; H276-L278 VanDerWaalsContact C-N 3.35Å; H276-E279 IonicContact CD2-OE2 3.27Å; H276-E279 PolarHBondContact O-N 3.32Å; H276-N280 VanDerWaalsContact O-CB 3.28Å; H276-N280 WeakPolarHBondContact O-CB 3.36Å; H276-N280 PolarHBondContact O-N 3.27Å; H276-N280 PolarHBondContact O-ND2 3.04Å
277I97.8Very high96.4Very high0 Ų044.7 Ų44.70%022%0.223CC..Hα-helixtrans-61.4-47.2175.2-66.5168.4000109.8L22 A36 A39 A40 A43 Y45 S271 K273 P274 N280 S281L22-I277 HydrophobicContact CD1-CG1 4.47Å; A36-I277 HydrophobicContact CB-CD1 4.12Å; A39-I277 HydrophobicContact CB-CD1 4.02Å; A40-I277 VanDerWaalsContact CA-CG2 3.49Å; A40-I277 HydrophobicContact CB-CG2 3.83Å; A43-I277 HydrophobicContact CB-CG2 4.13Å; Y45-I277 HydrophobicContact CD2-CG2 4.3Å; Y45-I277 HydrophobicContact CE2-CG2 3.84Å; Y45-I277 WeakPolarHBondContact CE2-O 3.27Å; Y45-I277 PolarHBondContact OH-O 3.45Å; S271-I277 WeakPolarHBondContact O-CD1 3.24Å; K273-I277 WeakPolarHBondContact O-CG1 3.34Å; K273-I277 PolarHBondContact O-N 3.19Å; P274-I277 PolarHBondContact O-N 2.81Å; I277-N280 PolarHBondContact O-N 3.41Å; I277-S281 PolarHBondContact O-N 3.4Å
278L98.1Very high96.4Very high87 Ų8744.9 Ų44.946%0.45522%0.224SC..Hα-helixtrans-62.9-43.6176.2-179.661.9000111.9A43 P274 H275 H276 S281A43-L278 HydrophobicContact CB-CD1 4.13Å; P274-L278 WeakPolarHBondContact O-CB 3.44Å; P274-L278 PolarHBondContact O-N 2.84Å; H275-L278 PolarHBondContact O-N 3.44Å; H276-L278 VanDerWaalsContact C-N 3.35Å; L278-S281 WeakPolarHBondContact O-CB 3.5Å; L278-S281 PolarHBondContact O-N 3.33Å; L278-S281 VanDerWaalsContact O-N 3.17Å; L278-S281 PolarHBondContact O-OG 3.34Å
279E97.8Very high96.4Very high60 Ų6046.3 Ų46.328%0.2824%0.24SC..Hα-helixtrans-59.1-46.6176.6179.3-177.1-154.400111.9S251 Q254 H275 H276 S281 K282S251-E279 WeakPolarHBondContact CB-OE1 3.19Å; S251-E279 PolarHBondContact OG-OE1 3.38Å; Q254-E279 HydrophobicContact CG-CG 4.11Å; Q254-E279 PolarHBondContact NE2-O 3.18Å; H275-E279 VanDerWaalsContact O-CB 3.25Å; H275-E279 WeakPolarHBondContact O-CB 3.36Å; H275-E279 PolarHBondContact O-N 3.34Å; H276-E279 IonicContact CD2-OE2 3.27Å; H276-E279 PolarHBondContact O-N 3.32Å; E279-S281 PolarHBondContact O-N 2.99Å; E279-K282 PolarHBondContact O-N 3.35Å
280N98.1Very high96.4Very high4 Ų451.7 Ų51.72%0.02127%0.265CS..Hα-helixtrans-63.7-21.5177.7-71-17.6000112.8L20 Y45 L257 H276 I277 K282 V283L20-N280 WeakPolarHBondContact CD2-O 3.14Å; Y45-N280 WeakPolarHBondContact OH-CB 3.21Å; L257-N280 HydrophobicContact CD1-CB 3.72Å; H276-N280 VanDerWaalsContact O-CB 3.28Å; H276-N280 WeakPolarHBondContact O-CB 3.36Å; H276-N280 PolarHBondContact O-N 3.27Å; H276-N280 PolarHBondContact O-ND2 3.04Å; I277-N280 PolarHBondContact O-N 3.41Å; N280-K282 PolarHBondContact O-N 3.49Å; N280-V283 VanDerWaalsContact O-CG1 3.22Å; N280-V283 WeakPolarHBondContact O-CG1 3.37Å
281S97.1Very high96.6Very high16 Ų1654.2 Ų54.211%0.11228%0.283CS..THydrogen-bonded Turntrans-70.2-19173.380.30000113.6I277 L278 E279 V283I277-S281 PolarHBondContact O-N 3.4Å; L278-S281 WeakPolarHBondContact O-CB 3.5Å; L278-S281 PolarHBondContact O-N 3.33Å; L278-S281 VanDerWaalsContact O-N 3.17Å; L278-S281 PolarHBondContact O-OG 3.34Å; E279-S281 PolarHBondContact O-N 2.99Å; S281-V283 VanDerWaalsContact C-N 3.27Å; S281-V283 PolarHBondContact O-N 3.23Å
282K97Very high96.7Very high97 Ų9754.4 Ų54.442%0.42228%0.283SS..  trans-93.545.6-175.6-48.8-55.4179.4-169.30112E279 N280E279-K282 PolarHBondContact O-N 3.35Å; N280-K282 PolarHBondContact O-N 3.49Å
283V97Very high97.2Very high0 Ų053.9 Ų53.90%028%0.28CS..SBendtrans-101.11179.6-64.80000113.2L20 Q254 L257 R258 N280 S281L20-V283 HydrophobicContact CD2-CG2 4.12Å; Q254-V283 HydrophobicContact CB-CG1 4.39Å; Q254-V283 HydrophobicContact CG-CG1 4.37Å; L257-V283 HydrophobicContact CB-CB 4.41Å; L257-V283 HydrophobicContact CB-CG1 3.64Å; L257-V283 HydrophobicContact CD1-CG1 3.87Å; L257-V283 HydrophobicContact CG-CG1 4.4Å; R258-V283 WeakPolarHBondContact CD-O 3.45Å; R258-V283 PolarHBondContact NH1-O 3.07Å; N280-V283 VanDerWaalsContact O-CG1 3.22Å; N280-V283 WeakPolarHBondContact O-CG1 3.37Å; S281-V283 VanDerWaalsContact C-N 3.27Å; S281-V283 PolarHBondContact O-N 3.23Å
284F96.6Very high97.4Very high37 Ų3755.1 Ų55.116%0.16229%0.289CS..SBendtrans-109.23.9-177.6-57.4-73.8000113.3R7 L19 L20 V261R7-F284 HydrophobicContact CB-CE1 4.39Å; R7-F284 HydrophobicContact CB-CZ 4.4Å; R7-F284 HydrophobicContact CG-CD1 4.11Å; R7-F284 HydrophobicContact CG-CD2 4.42Å; R7-F284 HydrophobicContact CG-CE1 4.17Å; R7-F284 HydrophobicContact CG-CE2 4.47Å; R7-F284 HydrophobicContact CG-CG 4.24Å; R7-F284 HydrophobicContact CG-CZ 4.35Å; L19-F284 HydrophobicContact CB-CE1 4.07Å; L19-F284 HydrophobicContact CB-CZ 4.12Å; L19-F284 HydrophobicContact CD1-CE1 4.21Å; L20-F284 HydrophobicContact CB-CE2 4Å; L20-F284 HydrophobicContact CB-CZ 3.84Å; L20-F284 HydrophobicContact CD2-CE2 4.08Å; V261-F284 HydrophobicContact CB-CE1 4.42Å
285D94.7Very high97.5Very high90 Ų9053.2 Ų53.248%0.48128%0.28SS..SBendtrans-111.314.5-175.168.66.2000113.5R250R250-D285 IonicContact CZ-OD1 3.96Å; R250-D285 IonicContact NE-OD1 2.96Å; R250-D285 PolarHBondContact NE-OD1 3.25Å; R250-D285 IonicContact NH2-OD1 2.8Å; R250-D285 PolarHBondContact NH2-OD1 2.97Å; R250-D285 IonicContact NH2-OD2 3.63Å; R250-D285 PolarHBondContact NH2-OD2 3.32Å
286F97.1Very high97.6Very high20 Ų2047.7 Ų47.79%0.08826%0.255CS..  trans-155.2161.9173.977.7-73.9000110.4H248 R250 Q254 R258 L288H248-F286 HydrophobicContact CB-CD2 4.14Å; H248-F286 HydrophobicContact CB-CE2 4.38Å; R250-F286 HydrophobicContact CB-CE2 4.42Å; R250-F286 HydrophobicContact CB-CZ 4.25Å; R250-F286 HydrophobicContact CG-CD1 3.9Å; R250-F286 HydrophobicContact CG-CD2 3.99Å; R250-F286 HydrophobicContact CG-CE1 3.85Å; R250-F286 HydrophobicContact CG-CE2 3.95Å; R250-F286 HydrophobicContact CG-CG 3.95Å; R250-F286 HydrophobicContact CG-CZ 3.87Å; Q254-F286 HydrophobicContact CB-CE1 4.18Å; Q254-F286 HydrophobicContact CB-CZ 4.16Å; R258-F286 HydrophobicContact CB-CE1 4.02Å; R258-F286 HydrophobicContact CB-CE2 3.86Å; R258-F286 HydrophobicContact CB-CZ 3.38Å; R258-F286 VanDerWaalsContact CD-O 3.3Å; R258-F286 WeakPolarHBondContact CD-O 3.42Å; R258-F286 HydrophobicContact CG-CD2 4.33Å; R258-F286 HydrophobicContact CG-CE1 4.22Å; R258-F286 HydrophobicContact CG-CE2 3.77Å; R258-F286 HydrophobicContact CG-CZ 3.72Å; R258-F286 PolarHBondContact NE-O 3.07Å; R258-F286 PolarHBondContact NH1-O 3.47Å; R258-F286 PolarHBondContact NH2-O 2.92Å; F286-L288 HydrophobicContact CE2-CD2 3.93Å; F286-L288 HydrophobicContact CE2-CG 4.37Å
287D97.3Very high97.7Very high99 Ų9947.5 Ų47.553%0.52925%0.251SS..  trans-123.9147.4178-69.6-70.7000110.6H248 R258H248-D287 PolarHBondContact CE1-O 3.2Å; H248-D287 PolarHBondContact ND1-O 3.28Å; R258-D287 IonicContact CZ-OD1 3.79Å; R258-D287 IonicContact NH2-OD1 2.74Å; R258-D287 PolarHBondContact NH2-OD1 3.31Å
288L98.3Very high97.7Very high5 Ų550.5 Ų50.53%0.02628%0.283CS..  trans-92131.6167.5-63.3176.2000108.8I244 V255 R258 F259 Q262 F286 D292 M293 L296I244-L288 HydrophobicContact CG2-CD2 3.66Å; V255-L288 HydrophobicContact CG1-CD1 4.4Å; V255-L288 HydrophobicContact CG1-CD2 4.4Å; R258-L288 HydrophobicContact CB-CD1 4.05Å; R258-L288 HydrophobicContact CB-CG 4.27Å; R258-L288 HydrophobicContact CG-CD1 3.94Å; R258-L288 HydrophobicContact CG-CG 3.72Å; F259-L288 HydrophobicContact CB-CD1 4.4Å; Q262-L288 PolarHBondContact NE2-O 2.98Å; F286-L288 HydrophobicContact CE2-CD2 3.93Å; F286-L288 HydrophobicContact CE2-CG 4.37Å; L288-D292 HydrophobicContact CB-CB 4.18Å; L288-D292 HydrophobicContact CD2-CB 4.31Å; L288-M293 HydrophobicContact CB-CG 3.98Å; L288-M293 HydrophobicContact CB-SD 3.74Å; L288-M293 HydrophobicContact CD1-SD 3.76Å; L288-M293 HydrophobicContact CG-SD 4.39Å; L288-L296 HydrophobicContact CD1-CD1 3.79Å
289G98.1Very high97.7Very high37 Ų3747.2 Ų47.238%0.38127%0.265SS..  trans-70.7163.3172.100000111.3D291 D292 M293G289-D291 VanDerWaalsContact C-N 3.25Å; G289-D291 PolarHBondContact O-N 3.38Å; G289-D292 PolarHBondContact N-OD2 3.06Å; G289-D292 WeakPolarHBondContact O-CB 3.34Å; G289-D292 PolarHBondContact O-N 2.87Å; G289-M293 WeakPolarHBondContact O-CG 3.36Å; G289-M293 PolarHBondContact O-N 3.46Å
290E98.1Very high97.6Very high114 Ų11447.4 Ų47.453%0.53327%0.268SS..Hα-helixtrans-57.1-37.9178.9-75.3-56.2125.100112.5D292 M293 D294 R297E290-D292 VanDerWaalsContact C-N 3.29Å; E290-D292 PolarHBondContact O-N 3.15Å; E290-M293 CarbonylContact O-C 3.04Å; E290-M293 WeakPolarHBondContact O-CB 3.33Å; E290-M293 PolarHBondContact O-N 3.14Å; E290-M293 VanDerWaalsContact O-N 3.14Å; E290-D294 WeakPolarHBondContact O-CB 3.46Å; E290-D294 PolarHBondContact O-N 3.07Å; E290-R297 IonicContact OE2-CZ 2.81Å; E290-R297 IonicContact OE2-NH1 3.13Å; E290-R297 IonicContact OE2-NH2 3.84Å; E290-R297 PolarHBondContact OE2-NH2 2.92Å
291D98.6Very high97.5Very high131 Ų13153 Ų5370%0.70129%0.289SS*.Hα-helixtrans-59-38.7174.7-63.1-19.9000112.7G289 A295G289-D291 VanDerWaalsContact C-N 3.25Å; G289-D291 PolarHBondContact O-N 3.38Å; D291-A295 VanDerWaalsContact O-CB 3.31Å; D291-A295 WeakPolarHBondContact O-CB 3.27Å; D291-A295 PolarHBondContact O-N 3.26Å
292D98.6Very high97.3Very high11 Ų1154.2 Ų54.26%0.05931%0.305CS..Hα-helixtrans-72.2-39.8177.5-60.8-39.1000110.5I244 K247 H248 L288 G289 E290 A295 L296I244-D292 HydrophobicContact CD1-CB 4.16Å; I244-D292 HydrophobicContact CG1-CB 4.29Å; I244-D292 HydrophobicContact CG2-CB 4.08Å; K247-D292 IonicContact NZ-OD1 2.88Å; K247-D292 PolarHBondContact NZ-OD1 3.2Å; K247-D292 IonicContact NZ-OD2 3.96Å; K247-D292 PolarHBondContact NZ-OD2 3.32Å; H248-D292 IonicContact CD2-OD2 3.65Å; H248-D292 IonicContact CE1-OD2 3.75Å; H248-D292 IonicContact NE2-OD2 2.65Å; H248-D292 PolarHBondContact NE2-OD2 2.71Å; L288-D292 HydrophobicContact CB-CB 4.18Å; L288-D292 HydrophobicContact CD2-CB 4.31Å; G289-D292 PolarHBondContact N-OD2 3.06Å; G289-D292 WeakPolarHBondContact O-CB 3.34Å; G289-D292 PolarHBondContact O-N 2.87Å; E290-D292 VanDerWaalsContact C-N 3.29Å; E290-D292 PolarHBondContact O-N 3.15Å; D292-A295 PolarHBondContact O-N 3.11Å; D292-L296 VanDerWaalsContact O-CG 3.29Å; D292-L296 WeakPolarHBondContact O-CG 2.78Å; D292-L296 PolarHBondContact O-N 3.21Å
293M98.4Very high97.1Very high2 Ų250.9 Ų50.91%0.0129%0.289CS..Hα-helixtrans-62.8-43.6175.7-66.9-65.5-72.400111.1F259 Q263 L288 G289 E290 L296 R297F259-M293 HydrophobicContact CD2-CE 3.89Å; F259-M293 HydrophobicContact CD2-SD 3.9Å; F259-M293 HydrophobicContact CE2-CE 4.2Å; F259-M293 WeakPolarHBondContact O-CE 3.18Å; Q263-M293 VanDerWaalsContact CD-CE 3.45Å; Q263-M293 HydrophobicContact CG-CE 3.49Å; Q263-M293 VanDerWaalsContact CG-CE 3.49Å; L288-M293 HydrophobicContact CB-CG 3.98Å; L288-M293 HydrophobicContact CB-SD 3.74Å; L288-M293 HydrophobicContact CD1-SD 3.76Å; L288-M293 HydrophobicContact CG-SD 4.39Å; G289-M293 WeakPolarHBondContact O-CG 3.36Å; G289-M293 PolarHBondContact O-N 3.46Å; E290-M293 CarbonylContact O-C 3.04Å; E290-M293 WeakPolarHBondContact O-CB 3.33Å; E290-M293 PolarHBondContact O-N 3.14Å; E290-M293 VanDerWaalsContact O-N 3.14Å; M293-L296 PolarHBondContact O-N 3.17Å; M293-R297 VanDerWaalsContact O-CG 3.26Å; M293-R297 WeakPolarHBondContact O-CG 3.42Å; M293-R297 PolarHBondContact O-N 3.2Å
294D98.3Very high96.8Very high82 Ų8253.6 Ų53.644%0.43930%0.301SS..Hα-helixtrans-66.7-41.5176.8-80.6-24.5000112.2E290 L296 R297 G298E290-D294 WeakPolarHBondContact O-CB 3.46Å; E290-D294 PolarHBondContact O-N 3.07Å; D294-L296 VanDerWaalsContact C-N 3.31Å; D294-L296 PolarHBondContact O-N 2.83Å; D294-R297 PolarHBondContact O-N 2.81Å; D294-R297 IonicContact OD1-CZ 3.13Å; D294-R297 IonicContact OD1-NH1 2.92Å; D294-R297 PolarHBondContact OD1-NH1 3.11Å; D294-G298 PolarHBondContact O-N 3.23Å
295A98.6Very high96.6Very high41 Ų4152 Ų5234%0.33930%0.295SS..Hα-helixtrans-59.4-42.1173.800000111.7V240 I244 D291 D292 G298V240-A295 HydrophobicContact CG1-CB 3.88Å; I244-A295 HydrophobicContact CD1-CB 4.2Å; D291-A295 VanDerWaalsContact O-CB 3.31Å; D291-A295 WeakPolarHBondContact O-CB 3.27Å; D291-A295 PolarHBondContact O-N 3.26Å; D292-A295 PolarHBondContact O-N 3.11Å; A295-G298 PolarHBondContact O-N 2.95Å
296L98.4Very high96.2Very high0 Ų049.3 Ų49.30%028%0.283CS..Hα-helixtrans-68.4-42.1175.1-68.8167.7000112.4P192 V241 I244 V255 F259 L288 D292 M293 D294 G298 L299P192-L296 WeakPolarHBondContact CB-O 3.48Å; P192-L296 HydrophobicContact CG-CB 4.36Å; P192-L296 HydrophobicContact CG-CD2 4.14Å; V241-L296 HydrophobicContact CG2-CD2 3.9Å; I244-L296 HydrophobicContact CD1-CD1 4.15Å; I244-L296 HydrophobicContact CD1-CD2 3.89Å; I244-L296 HydrophobicContact CD1-CG 3.65Å; V255-L296 HydrophobicContact CG1-CD1 3.92Å; V255-L296 HydrophobicContact CG1-CD2 4.31Å; F259-L296 HydrophobicContact CB-CD1 4.04Å; F259-L296 HydrophobicContact CD2-CB 3.71Å; F259-L296 HydrophobicContact CD2-CD1 3.73Å; F259-L296 HydrophobicContact CD2-CG 4.37Å; F259-L296 HydrophobicContact CE2-CB 3.74Å; F259-L296 HydrophobicContact CG-CB 4.45Å; F259-L296 HydrophobicContact CG-CD1 4.14Å; L288-L296 HydrophobicContact CD1-CD1 3.79Å; D292-L296 VanDerWaalsContact O-CG 3.29Å; D292-L296 WeakPolarHBondContact O-CG 2.78Å; D292-L296 PolarHBondContact O-N 3.21Å; M293-L296 PolarHBondContact O-N 3.17Å; D294-L296 VanDerWaalsContact C-N 3.31Å; D294-L296 PolarHBondContact O-N 2.83Å; L296-G298 PolarHBondContact O-N 3.13Å; L296-L299 HydrophobicContact CD2-CD1 4.26Å; L296-L299 WeakPolarHBondContact O-CB 3.49Å; L296-L299 PolarHBondContact O-N 3.33Å
297R97.8Very high95.7Very high64 Ų6448.9 Ų48.924%0.24228%0.283CS..Hα-helixtrans-60.2-33.5173.5-70.5171.9-157.2148.74.7111.4F259 E290 M293 D294 L299 D300F259-R297 HydrophobicContact CE2-CG 3.98Å; F259-R297 HydrophobicContact CZ-CG 4.12Å; E290-R297 IonicContact OE2-CZ 2.81Å; E290-R297 IonicContact OE2-NH1 3.13Å; E290-R297 IonicContact OE2-NH2 3.84Å; E290-R297 PolarHBondContact OE2-NH2 2.92Å; M293-R297 VanDerWaalsContact O-CG 3.26Å; M293-R297 WeakPolarHBondContact O-CG 3.42Å; M293-R297 PolarHBondContact O-N 3.2Å; D294-R297 PolarHBondContact O-N 2.81Å; D294-R297 IonicContact OD1-CZ 3.13Å; D294-R297 IonicContact OD1-NH1 2.92Å; D294-R297 PolarHBondContact OD1-NH1 3.11Å; R297-L299 PolarHBondContact O-N 3.13Å; R297-D300 WeakPolarHBondContact O-CB 3.29Å; R297-D300 PolarHBondContact O-N 3.05Å
298G97.6Very high95.3Very high64 Ų6446.7 Ų46.766%0.6627%0.271SS*.THydrogen-bonded Turntrans-70.3-11.4178.600000114.9D294 A295 L296 D300D294-G298 PolarHBondContact O-N 3.23Å; A295-G298 PolarHBondContact O-N 2.95Å; L296-G298 PolarHBondContact O-N 3.13Å; G298-D300 PolarHBondContact O-N 3.2Å
299L97.8Very high94.9Very high17 Ų1750.6 Ų50.69%0.08929%0.291CS..THydrogen-bonded Turntrans-77.3-8.7173.8-64.2179.5000113.5P192 Y193 V240 V241 L296 R297 R301P192-L299 HydrophobicContact CB-CB 4.02Å; P192-L299 HydrophobicContact CB-CD1 3.91Å; P192-L299 CarbonylContact O-C 3.59Å; Y193-L299 HydrophobicContact CD1-CB 3.97Å; Y193-L299 WeakPolarHBondContact CD1-O 3.43Å; Y193-L299 HydrophobicContact CE1-CB 4.15Å; Y193-L299 HydrophobicContact CE1-CD1 4.45Å; V240-L299 HydrophobicContact CB-CD1 4.22Å; V240-L299 HydrophobicContact CB-CD2 4.01Å; V240-L299 HydrophobicContact CB-CG 4.44Å; V240-L299 HydrophobicContact CG1-CD1 4.36Å; V240-L299 HydrophobicContact CG1-CD2 4.47Å; V240-L299 HydrophobicContact CG1-CG 4.49Å; V240-L299 HydrophobicContact CG2-CD2 3.88Å; V241-L299 HydrophobicContact CG2-CD1 3.93Å; L296-L299 HydrophobicContact CD2-CD1 4.26Å; L296-L299 WeakPolarHBondContact O-CB 3.49Å; L296-L299 PolarHBondContact O-N 3.33Å; R297-L299 PolarHBondContact O-N 3.13Å; L299-R301 PolarHBondContact O-N 2.97Å; L299-R301 PolarHBondContact O-NE 3.19Å
300D97Very high94.5Very high64 Ų6452.9 Ų52.934%0.34229%0.292SS..  trans-57.7130.7-175.9-172.134.4000110.9P192 M194 V195 R297 G298 G302P192-D300 WeakPolarHBondContact O-CA 3.2Å; P192-D300 PolarHBondContact O-N 3.13Å; M194-D300 WeakPolarHBondContact CA-OD1 3.44Å; M194-D300 PolarHBondContact N-OD1 2.65Å; V195-D300 HydrophobicContact CB-CB 4.19Å; V195-D300 HydrophobicContact CG2-CB 3.82Å; V195-D300 PolarHBondContact N-OD1 2.9Å; V195-D300 VanDerWaalsContact N-OD1 3.09Å; R297-D300 WeakPolarHBondContact O-CB 3.29Å; R297-D300 PolarHBondContact O-N 3.05Å; G298-D300 PolarHBondContact O-N 3.2Å; D300-G302 PolarHBondContact OD1-N 2.86Å
301R94.8Very high94.3Very high122 Ų12247.5 Ų47.546%0.4627%0.267SS..  trans-14415-177.963.2-172.474.1177.95.6111.8Y193 D238 L299 W303Y193-R301 HydrophobicContact CG-CG 4.33Å; Y193-R301 PolarHBondContact O-N 3.47Å; D238-R301 IonicContact OD2-NH2 3.51Å; L299-R301 PolarHBondContact O-N 2.97Å; L299-R301 PolarHBondContact O-NE 3.19Å; R301-W303 HydrophobicContact CG-CB 3.82Å; R301-W303 PolarHBondContact O-N 2.94Å
302G93.1Very high94.1Very high42 Ų4245.9 Ų45.943%0.43325%0.254SS..  trans58.120.7-178.800000114.2Y193 D300Y193-G302 PolarHBondContact O-N 3.41Å; D300-G302 PolarHBondContact OD1-N 2.86Å
303W93.9Very high93.8Very high27 Ų2751 Ų5110%0.10229%0.291CS..  trans-84.7121.3-175.1173.284.7000110.2H191 Y193 M194 R221 D231 P232 R301 A305H191-W303 AromaticContact CE1-CE3 3.88Å; Y193-W303 HydrophobicContact CD2-CE3 4.05Å; Y193-W303 HydrophobicContact CD2-CZ3 4.44Å; Y193-W303 PolarHBondContact O-N 3.03Å; Y193-W303 VanDerWaalsContact O-N 3.07Å; M194-W303 WeakPolarHBondContact CB-O 3.4Å; R221-W303 VanDerWaalsContact NH2-CZ2 3.32Å; D231-W303 HydrophobicContact CB-CZ2 4.45Å; D231-W303 PolarHBondContact OD1-NE1 3.32Å; P232-W303 VanDerWaalsContact CD-CD1 3.43Å; P232-W303 VanDerWaalsContact CD-CD2 3.41Å; P232-W303 HydrophobicContact CG-CD2 3.51Å; P232-W303 HydrophobicContact CG-CE3 3.78Å; P232-W303 HydrophobicContact CG-CG 3.86Å; P232-W303 HydrophobicContact CG-CH2 4.36Å; P232-W303 HydrophobicContact CG-CZ2 4.14Å; P232-W303 HydrophobicContact CG-CZ3 4.2Å; R301-W303 HydrophobicContact CG-CB 3.82Å; R301-W303 PolarHBondContact O-N 2.94Å; W303-A305 HydrophobicContact CH2-CB 3.65Å; W303-A305 HydrophobicContact CZ2-CB 4.25Å; W303-A305 HydrophobicContact CZ3-CB 3.96Å
304K90.9Very high93.8Very high57 Ų5751.5 Ų51.525%0.24829%0.293CS..  trans-105.8121.4-178.8-47.8-173.6-177104.20111.2E189 M194 R227 C306 F319E189-K304 VanDerWaalsContact OE1-CA 3.24Å; E189-K304 WeakPolarHBondContact OE1-CA 3.18Å; M194-K304 HydrophobicContact CE-CD 3.75Å; M194-K304 HydrophobicContact CE-CG 3.74Å; M194-K304 HydrophobicContact CG-CG 4.45Å; M194-K304 HydrophobicContact SD-CG 3.87Å; R227-K304 PolarHBondContact NH1-O 3.05Å; R227-K304 VanDerWaalsContact NH1-O 3.14Å; R227-K304 PolarHBondContact NH2-O 3.18Å; K304-C306 VanDerWaalsContact C-N 3.33Å; K304-F319 HydrophobicContact CD-CB 4.27Å; K304-F319 HydrophobicContact CD-CD1 4.4Å; K304-F319 HydrophobicContact CD-CG 4.21Å; K304-F319 PolarHBondContact NZ-O 2.63Å
305A91.1Very high93.7Very high4 Ų452.8 Ų52.83%0.03331%0.306CS..SBendtrans-67.7-33.6170.800000112E189 R221 W303E189-A305 WeakPolarHBondContact OE1-CB 3.47Å; E189-A305 PolarHBondContact OE1-N 2.86Å; E189-A305 PolarHBondContact OE2-N 3.02Å; R221-A305 VanDerWaalsContact CD-O 3.29Å; R221-A305 WeakPolarHBondContact CD-O 3.21Å; W303-A305 HydrophobicContact CH2-CB 3.65Å; W303-A305 HydrophobicContact CZ2-CB 4.25Å; W303-A305 HydrophobicContact CZ3-CB 3.96Å
306C87.6Confident93.6Very high33 Ų3353.1 Ų53.122%0.22330%0.299CS..  trans-115.7107179.1-169.60000110.4E189 Y213 K304E189-C306 WeakPolarHBondContact OE2-CB 3.42Å; E189-C306 PolarHBondContact OE2-N 2.59Å; Y213-C306 HydrophobicContact CE2-CB 4.26Å; K304-C306 VanDerWaalsContact C-N 3.33Å
307A86.8Confident93.6Very high11 Ų1154 Ų549%0.09130%0.302CS..  trans-113.9-36.6179.500000113.2D309 Y317 F319A307-D309 VanDerWaalsContact C-N 3.34Å; A307-Y317 WeakPolarHBondContact O-CE2 3.24Å; A307-Y317 PolarHBondContact O-OH 2.92Å; A307-F319 WeakPolarHBondContact O-CD2 3.35Å; A307-F319 WeakPolarHBondContact O-CE2 3.43Å
308L87.6Confident93.4Very high52 Ų5251.4 Ų51.427%0.27229%0.294SS..  trans52.249.8-170.9-64.8175.6000112.3F117 E310 I311F117-L308 HydrophobicContact CD2-CD1 4.05Å; F117-L308 HydrophobicContact CE2-CD1 3.84Å; F117-L308 HydrophobicContact CG-CD1 4.49Å; F117-L308 HydrophobicContact CZ-CD1 4.09Å; L308-E310 PolarHBondContact O-N 2.86Å; L308-I311 HydrophobicContact CB-CD1 4.16Å; L308-I311 HydrophobicContact CB-CG1 4.03Å; L308-I311 HydrophobicContact CD1-CD1 4.35Å; L308-I311 WeakPolarHBondContact O-CG1 3.29Å; L308-I311 PolarHBondContact O-N 3.3Å; L308-I311 VanDerWaalsContact O-N 3.11Å
309D89.3Confident93.2Very high87 Ų8750 Ų5047%0.46527%0.27SS..G310 helixtrans-57.1-21.5-175-64.9-51.3000114.1A307 I311 K312A307-D309 VanDerWaalsContact C-N 3.34Å; D309-I311 PolarHBondContact O-N 2.72Å; D309-K312 WeakPolarHBondContact O-CB 3.33Å; D309-K312 PolarHBondContact O-N 3.24Å; D309-K312 VanDerWaalsContact O-N 3.17Å
310E90.2Very high92.5Very high85 Ų8558.2 Ų58.240%0.39731%0.307SS..G310 helixtrans-60.2-25.7178-59.3-176.2-14000114R131 I136 L308R131-E310 IonicContact CZ-OE1 2.92Å; R131-E310 IonicContact CZ-OE2 3.47Å; R131-E310 VanDerWaalsContact CZ-OE2 3.27Å; R131-E310 IonicContact NH1-OE1 3.61Å; R131-E310 PolarHBondContact NH1-OE1 3.29Å; R131-E310 IonicContact NH1-OE2 3.27Å; R131-E310 PolarHBondContact NH1-OE2 3.15Å; R131-E310 IonicContact NH2-OE1 2.72Å; R131-E310 PolarHBondContact NH2-OE1 2.97Å; R131-E310 IonicContact NH2-OE2 3.82Å; R131-E310 PolarHBondContact NH2-OE2 3.29Å; R131-E310 VanDerWaalsContact NH2-OE2 3.13Å; I136-E310 HydrophobicContact CD1-CB 4.45Å; L308-E310 PolarHBondContact O-N 2.86Å
311I93.9Very high92.2Very high2 Ų258 Ų581%0.0131%0.306CS..G310 helixtrans-108.112.6-17959.8164.9000112.5F117 V119 F121 I136 T138 L308 D309 S313 H314 Y317F117-I311 HydrophobicContact CD1-CD1 3.98Å; F117-I311 HydrophobicContact CE1-CD1 3.48Å; F117-I311 VanDerWaalsContact CE1-CD1 3.48Å; F117-I311 HydrophobicContact CZ-CD1 4.2Å; V119-I311 HydrophobicContact CB-CD1 4Å; V119-I311 HydrophobicContact CG1-CD1 4.12Å; V119-I311 HydrophobicContact CG2-CD1 4.13Å; F121-I311 HydrophobicContact CE1-CD1 4.03Å; F121-I311 HydrophobicContact CE1-CG2 3.99Å; F121-I311 HydrophobicContact CZ-CD1 4.27Å; I136-I311 HydrophobicContact CB-CG2 3.88Å; I136-I311 HydrophobicContact CD1-CG2 4.25Å; I136-I311 HydrophobicContact CG2-CG2 3.95Å; T138-I311 HydrophobicContact CG2-CB 4.11Å; T138-I311 HydrophobicContact CG2-CG2 3.66Å; L308-I311 HydrophobicContact CB-CD1 4.16Å; L308-I311 HydrophobicContact CB-CG1 4.03Å; L308-I311 HydrophobicContact CD1-CD1 4.35Å; L308-I311 WeakPolarHBondContact O-CG1 3.29Å; L308-I311 PolarHBondContact O-N 3.3Å; L308-I311 VanDerWaalsContact O-N 3.11Å; D309-I311 PolarHBondContact O-N 2.72Å; I311-S313 PolarHBondContact O-N 2.84Å; I311-S313 VanDerWaalsContact O-N 3.15Å; I311-H314 WeakPolarHBondContact O-CB 3.37Å; I311-H314 PolarHBondContact O-N 3.09Å; I311-Y317 HydrophobicContact CD1-CD2 4.43Å; I311-Y317 HydrophobicContact CG1-CD2 4.07Å; I311-Y317 HydrophobicContact CG1-CE2 4.36Å
312K94.3Very high92.1Very high96 Ų9654.6 Ų54.642%0.41730%0.298SS..THydrogen-bonded Turntrans-58.5-28.9-175.6-177.9171179.2177.40113.8D309 H314 Y317 E320D309-K312 WeakPolarHBondContact O-CB 3.33Å; D309-K312 PolarHBondContact O-N 3.24Å; D309-K312 VanDerWaalsContact O-N 3.17Å; K312-H314 PolarHBondContact O-N 3.33Å; K312-Y317 HydrophobicContact CB-CD1 4.33Å; K312-Y317 HydrophobicContact CB-CE1 4.18Å; K312-Y317 HydrophobicContact CB-CE2 4.46Å; K312-Y317 HydrophobicContact CD-CE1 4.34Å; K312-Y317 HydrophobicContact CG-CD1 3.95Å; K312-Y317 HydrophobicContact CG-CE1 3.78Å; K312-E320 WeakPolarHBondContact CE-OE1 3.42Å; K312-E320 VanDerWaalsContact CG-OE1 3.29Å; K312-E320 WeakPolarHBondContact CG-OE1 3.47Å; K312-E320 IonicContact NZ-OE1 2.86Å
313S93.8Very high92Very high120 Ų12055.3 Ų55.384%0.83929%0.29SS*.THydrogen-bonded Turntrans-73.9-5.7177.360.60000114.3I311I311-S313 PolarHBondContact O-N 2.84Å; I311-S313 VanDerWaalsContact O-N 3.15Å
314H96.8Very high91.9Very high12 Ų1256.9 Ų56.96%0.05630%0.301CS..SBendtrans-75.1136.3179.8-164.8-89.3000110.5V119 S139 I311 K312 Y316 Y317V119-H314 HydrophobicContact CG1-CB 4.07Å; V119-H314 HydrophobicContact CG2-CB 4.27Å; S139-H314 PolarHBondContact O-NE2 3.35Å; S139-H314 VanDerWaalsContact O-NE2 3.14Å; I311-H314 WeakPolarHBondContact O-CB 3.37Å; I311-H314 PolarHBondContact O-N 3.09Å; K312-H314 PolarHBondContact O-N 3.33Å; H314-Y316 AromaticContact CE1-CD2 3.55Å; H314-Y316 AromaticContact CE1-CG 3.94Å; H314-Y316 PolarHBondContact ND1-N 3.07Å; H314-Y316 VanDerWaalsContact ND1-N 3.14Å; H314-Y316 PolarHBondContact O-N 3.44Å; H314-Y317 VanDerWaalsContact O-CB 3.27Å; H314-Y317 WeakPolarHBondContact O-CB 3.41Å; H314-Y317 PolarHBondContact O-N 3.28Å
315P96.2Very high92Very high109 Ų10956.9 Ų56.971%0.70830%0.304SS*.THydrogen-bonded Turntrans-61.5-19.4-178.724.5-36000114.1
316Y97.1Very high92.1Very high48 Ų4860.5 Ų60.519%0.18832%0.322CS..THydrogen-bonded Turntrans-101.515.5175.7-51.6-33000113.7P118 V119 D142 Y143 Q171 H314P118-Y316 WeakPolarHBondContact CG-O 3.23Å; P118-Y316 WeakPolarHBondContact O-CB 3.44Å; V119-Y316 VanDerWaalsContact CG2-O 3.3Å; V119-Y316 WeakPolarHBondContact CG2-O 3.01Å; D142-Y316 PolarHBondContact OD2-OH 3.09Å; Y143-Y316 HydrophobicContact CD1-CD1 4.17Å; Y143-Y316 AromaticContact CD1-CD2 3.83Å; Y143-Y316 HydrophobicContact CD1-CD2 3.83Å; Y143-Y316 HydrophobicContact CD1-CE2 4.3Å; Y143-Y316 AromaticContact CD1-CG 3.78Å; Y143-Y316 HydrophobicContact CD1-CG 3.78Å; Y143-Y316 AromaticContact CE1-CD1 3.7Å; Y143-Y316 HydrophobicContact CE1-CD1 3.7Å; Y143-Y316 HydrophobicContact CE1-CD2 4.21Å; Y143-Y316 HydrophobicContact CE1-CE1 4.07Å; Y143-Y316 AromaticContact CE1-CG 3.78Å; Y143-Y316 HydrophobicContact CE1-CG 3.78Å; Q171-Y316 PolarHBondContact NE2-O 3.2Å; H314-Y316 AromaticContact CE1-CD2 3.55Å; H314-Y316 AromaticContact CE1-CG 3.94Å; H314-Y316 PolarHBondContact ND1-N 3.07Å; H314-Y316 VanDerWaalsContact ND1-N 3.14Å; H314-Y316 PolarHBondContact O-N 3.44Å
317Y97.6Very high92.4Very high19 Ų1962.4 Ų62.48%0.07533%0.33CS..  trans-64.7126171.3-178.4-107.1000110.1A307 I311 K312 H314 F319 E320A307-Y317 WeakPolarHBondContact O-CE2 3.24Å; A307-Y317 PolarHBondContact O-OH 2.92Å; I311-Y317 HydrophobicContact CD1-CD2 4.43Å; I311-Y317 HydrophobicContact CG1-CD2 4.07Å; I311-Y317 HydrophobicContact CG1-CE2 4.36Å; K312-Y317 HydrophobicContact CB-CD1 4.33Å; K312-Y317 HydrophobicContact CB-CE1 4.18Å; K312-Y317 HydrophobicContact CB-CE2 4.46Å; K312-Y317 HydrophobicContact CD-CE1 4.34Å; K312-Y317 HydrophobicContact CG-CD1 3.95Å; K312-Y317 HydrophobicContact CG-CE1 3.78Å; H314-Y317 VanDerWaalsContact O-CB 3.27Å; H314-Y317 WeakPolarHBondContact O-CB 3.41Å; H314-Y317 PolarHBondContact O-N 3.28Å; Y317-F319 HydrophobicContact CD1-CB 4.42Å; Y317-F319 HydrophobicContact CE1-CB 3.66Å; Y317-F319 HydrophobicContact CE1-CD2 4.38Å; Y317-F319 HydrophobicContact CE1-CG 4.44Å; Y317-F319 AromaticContact CE2-CD2 3.92Å; Y317-F319 HydrophobicContact CE2-CD2 3.92Å; Y317-F319 AromaticContact CZ-CD2 3.7Å; Y317-E320 HydrophobicContact CD1-CG 3.92Å; Y317-E320 HydrophobicContact CE1-CG 4.14Å
318P95.3Very high92.8Very high9 Ų966.4 Ų66.46%0.05835%0.348CS..THydrogen-bonded Turntrans-89.1-5-165.231.5-34.9000115.6F117 P118 N166 S168F117-P318 VanDerWaalsContact CE1-CD 3.48Å; F117-P318 HydrophobicContact CE1-CG 3.87Å; F117-P318 HydrophobicContact CE2-CG 4.06Å; F117-P318 VanDerWaalsContact CZ-CD 3.45Å; F117-P318 HydrophobicContact CZ-CG 3.45Å; F117-P318 VanDerWaalsContact CZ-CG 3.45Å; P118-P318 HydrophobicContact CG-CB 3.89Å; P118-P318 HydrophobicContact CG-CG 3.86Å; N166-P318 HydrophobicContact CB-CG 4.38Å; N166-P318 WeakPolarHBondContact O-CB 3.43Å; N166-P318 WeakPolarHBondContact O-CG 3.38Å; S168-P318 WeakPolarHBondContact CB-O 3.35Å
319F93.1Very high93.2Very high35 Ų3567.6 Ų67.615%0.15435%0.354CS..THydrogen-bonded Turntrans-110.615.1-167-51.4-41.5000114.3F117 N166 K304 A307 Y317F117-F319 AromaticContact CE2-CE2 3.83Å; F117-F319 HydrophobicContact CE2-CE2 3.83Å; F117-F319 AromaticContact CE2-CZ 3.83Å; F117-F319 HydrophobicContact CE2-CZ 3.83Å; F117-F319 AromaticContact CZ-CE2 3.82Å; F117-F319 HydrophobicContact CZ-CE2 3.82Å; F117-F319 HydrophobicContact CZ-CZ 4.13Å; N166-F319 HydrophobicContact CB-CE1 4.38Å; N166-F319 HydrophobicContact CB-CZ 4.09Å; K304-F319 HydrophobicContact CD-CB 4.27Å; K304-F319 HydrophobicContact CD-CD1 4.4Å; K304-F319 HydrophobicContact CD-CG 4.21Å; K304-F319 PolarHBondContact NZ-O 2.63Å; A307-F319 WeakPolarHBondContact O-CD2 3.35Å; A307-F319 WeakPolarHBondContact O-CE2 3.43Å; Y317-F319 HydrophobicContact CD1-CB 4.42Å; Y317-F319 HydrophobicContact CE1-CB 3.66Å; Y317-F319 HydrophobicContact CE1-CD2 4.38Å; Y317-F319 HydrophobicContact CE1-CG 4.44Å; Y317-F319 AromaticContact CE2-CD2 3.92Å; Y317-F319 HydrophobicContact CE2-CD2 3.92Å; Y317-F319 AromaticContact CZ-CD2 3.7Å
320E81.4Confident93.6Very high189 Ų18965.8 Ų65.888%0.88334%0.344SS*.  trans-96.90167.5-74.9-171.7171.500111.7K312 Y317K312-E320 WeakPolarHBondContact CE-OE1 3.42Å; K312-E320 VanDerWaalsContact CG-OE1 3.29Å; K312-E320 WeakPolarHBondContact CG-OE1 3.47Å; K312-E320 IonicContact NZ-OE1 2.86Å; Y317-E320 HydrophobicContact CD1-CG 3.92Å; Y317-E320 HydrophobicContact CE1-CG 4.14Å

Retrieved 320 of 320 residues in 476.2 ms (Link to these results)

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