G4V6P7_SCHMA Loading...

NDK domain-containing protein

AlphaFold DB , UniProt , Accession G4V6P7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 606 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.3Very low81.8Confident243 Ų24359.6 Ų59.6100%1.19731%0.313SS*.  0116.50-63.1-179.8-160.700106.2Q3M1-Q3 PolarHBondContact O-N 2.63Å
2T54.1Low82Confident112 Ų11259.2 Ų59.269%0.68731%0.314SS*.PPolyproline II helixtrans-61.5121.5175.631.60000108.3S4T2-S4 PolarHBondContact O-N 3.09Å
3Q66Low82Confident106 Ų10660.7 Ų60.750%0.49532%0.322SS..PPolyproline II helixtrans-60.8126.9178-165.5166.7-1.500107.9M1 Y5 H25M1-Q3 PolarHBondContact O-N 2.63Å; Q3-Y5 HydrophobicContact CB-CE2 4.06Å; Q3-Y5 HydrophobicContact CG-CE1 3.97Å; Q3-Y5 HydrophobicContact CG-CE2 4.31Å; Q3-Y5 PolarHBondContact OE1-OH 3.18Å; Q3-Y5 VanDerWaalsContact OE1-OH 3.09Å; Q3-H25 PolarHBondContact O-ND1 3.09Å
4S82.8Confident82Confident56 Ų5661.2 Ų61.239%0.39235%0.349SS..PPolyproline II helixtrans-90.9126.3175-170.30000107.9T2T2-S4 PolarHBondContact O-N 3.09Å
5Y91.5Very high81.8Confident54 Ų5467.3 Ų67.321%0.21238%0.38CS..EExtended strand (participates in β ladder)trans-106147.3177-58.8-81.3000109.8Q3 R23 T24 G42 I44Q3-Y5 HydrophobicContact CB-CE2 4.06Å; Q3-Y5 HydrophobicContact CG-CE1 3.97Å; Q3-Y5 HydrophobicContact CG-CE2 4.31Å; Q3-Y5 PolarHBondContact OE1-OH 3.18Å; Q3-Y5 VanDerWaalsContact OE1-OH 3.09Å; Y5-R23 WeakPolarHBondContact O-CA 3.42Å; Y5-T24 PolarHBondContact N-O 3.45Å; Y5-T24 PolarHBondContact O-N 2.9Å; Y5-G42 CarbonylContact C-O 3.59Å; Y5-G42 VanDerWaalsContact CA-O 3.25Å; Y5-G42 WeakPolarHBondContact CA-O 2.98Å; Y5-I44 HydrophobicContact CD1-CD1 3.98Å; Y5-I44 HydrophobicContact CD1-CG1 3.91Å; Y5-I44 HydrophobicContact CE1-CD1 4.45Å; Y5-I44 HydrophobicContact CG-CG1 4.24Å
6V94.3Very high81.9Confident3 Ų365.6 Ų65.62%0.01837%0.368CS..EExtended strand (participates in β ladder)trans-104.6113.6164.6179.80000107.6E22 R23 G42 I43 I44 L126 M129 H130V6-E22 CarbonylContact C-O 3.53Å; V6-E22 WeakPolarHBondContact CA-O 3.5Å; V6-R23 HydrophobicContact CG2-CG 4.26Å; V6-G42 PolarHBondContact N-O 3.24Å; V6-I43 CarbonylContact O-C 3.51Å; V6-I43 WeakPolarHBondContact O-CA 3.31Å; V6-I44 PolarHBondContact O-N 2.86Å; V6-L126 HydrophobicContact CG1-CD2 3.87Å; V6-M129 HydrophobicContact CG1-CB 3.77Å; V6-M129 WeakPolarHBondContact CG2-O 3.43Å; V6-H130 HydrophobicContact CG2-CB 4.24Å
7V94.5Very high82.3Confident2 Ų268.2 Ų68.21%0.01238%0.375CS..EExtended strand (participates in β ladder)trans-107.2126.3-173.1-174.60000109.1F21 E22 T24 L27 I44 N46V7-F21 CarbonylContact O-C 3.57Å; V7-F21 WeakPolarHBondContact O-CA 3.32Å; V7-E22 HydrophobicContact CB-CG 4.06Å; V7-E22 PolarHBondContact N-O 2.91Å; V7-E22 PolarHBondContact O-N 3.3Å; V7-T24 HydrophobicContact CB-CG2 4.36Å; V7-T24 HydrophobicContact CG2-CG2 3.43Å; V7-T24 VanDerWaalsContact CG2-CG2 3.43Å; V7-L27 HydrophobicContact CG2-CD1 3.73Å; V7-I44 CarbonylContact C-O 3.5Å; V7-I44 WeakPolarHBondContact CA-O 3.46Å; V7-I44 HydrophobicContact CG1-CB 4.38Å; V7-I44 HydrophobicContact CG2-CB 4.09Å; V7-I44 HydrophobicContact CG2-CG1 4.33Å; V7-N46 WeakPolarHBondContact CG1-ND2 3.41Å
8M95.5Very high82.8Confident24 Ų2464.5 Ų64.512%0.11836%0.355CS..EExtended strand (participates in β ladder)trans-98.4120.6169.1-173.8-175.875.800109.6I19 R20 F21 I44 V45 N46 L122 L126M8-I19 HydrophobicContact CG-CG2 3.53Å; M8-I19 HydrophobicContact SD-CG2 3.95Å; M8-R20 CarbonylContact C-O 3.58Å; M8-R20 VanDerWaalsContact CA-O 3.24Å; M8-R20 WeakPolarHBondContact CA-O 3.44Å; M8-F21 HydrophobicContact CB-CD1 4.2Å; M8-F21 HydrophobicContact CB-CE1 4.37Å; M8-F21 HydrophobicContact CG-CD1 3.97Å; M8-F21 HydrophobicContact CG-CE1 3.72Å; M8-F21 HydrophobicContact CG-CZ 4.43Å; M8-F21 HydrophobicContact SD-CE1 3.78Å; M8-F21 HydrophobicContact SD-CZ 4.4Å; M8-I44 PolarHBondContact N-O 3.39Å; M8-V45 HydrophobicContact CE-CB 4.31Å; M8-V45 HydrophobicContact CE-CG1 3.5Å; M8-V45 HydrophobicContact CE-CG2 3.95Å; M8-N46 PolarHBondContact O-N 2.86Å; M8-L122 HydrophobicContact SD-CB 4.43Å; M8-L122 HydrophobicContact SD-CD1 4.39Å; M8-L126 HydrophobicContact CB-CD1 4.23Å; M8-L126 HydrophobicContact CB-CD2 4.03Å; M8-L126 HydrophobicContact CB-CG 4.4Å; M8-L126 HydrophobicContact SD-CD1 3.89Å; M8-L126 HydrophobicContact SD-CG 4.47Å
9T94.2Very high83.4Confident4 Ų461.4 Ų61.43%0.02534%0.338CS..EExtended strand (participates in β ladder)trans-124.3113.7177.4-52.50000110F11 R20 N46T9-F11 HydrophobicContact CG2-CD1 4.36Å; T9-F11 HydrophobicContact CG2-CD2 4.47Å; T9-F11 HydrophobicContact CG2-CE1 3.66Å; T9-F11 HydrophobicContact CG2-CE2 3.8Å; T9-F11 HydrophobicContact CG2-CZ 3.34Å; T9-F11 WeakPolarHBondContact O-CD2 3.5Å; T9-F11 WeakPolarHBondContact O-CE2 3.47Å; T9-R20 PolarHBondContact N-O 3.44Å; T9-R20 PolarHBondContact O-N 3.21Å; T9-N46 HydrophobicContact CG2-CB 4.01Å; T9-N46 PolarHBondContact OG1-ND2 2.8Å
10P93.2Very high84Confident26 Ų2660.3 Ų60.317%0.16933%0.328CS..EExtended strand (participates in β ladder)trans-83.1140173.927.1-22.5000111.3I18 I19 E48 C49P10-I18 CarbonylContact C-O 3.51Å; P10-I19 HydrophobicContact CB-CG1 4.45Å; P10-E48 HydrophobicContact CB-CB 4.47Å; P10-E48 HydrophobicContact CB-CG 4.36Å; P10-E48 HydrophobicContact CG-CB 3.97Å; P10-E48 HydrophobicContact CG-CG 4.39Å; P10-E48 WeakPolarHBondContact O-CA 3.33Å; P10-C49 PolarHBondContact O-N 3.48Å
11F90.8Very high84.5Confident26 Ų2657.4 Ų57.411%0.11431%0.312CS..EExtended strand (participates in β ladder)trans-131.2146.8175.5-51.5-84.2000111.2T9 I18 R20 C49 L51T9-F11 HydrophobicContact CG2-CD1 4.36Å; T9-F11 HydrophobicContact CG2-CD2 4.47Å; T9-F11 HydrophobicContact CG2-CE1 3.66Å; T9-F11 HydrophobicContact CG2-CE2 3.8Å; T9-F11 HydrophobicContact CG2-CZ 3.34Å; T9-F11 WeakPolarHBondContact O-CD2 3.5Å; T9-F11 WeakPolarHBondContact O-CE2 3.47Å; F11-I18 HydrophobicContact CB-CB 4.28Å; F11-I18 HydrophobicContact CD2-CG2 4.43Å; F11-I18 PolarHBondContact N-O 3.08Å; F11-I18 PolarHBondContact O-N 2.88Å; F11-R20 HydrophobicContact CD2-CB 4.35Å; F11-R20 HydrophobicContact CE2-CB 3.67Å; F11-C49 VanDerWaalsContact CA-O 3.3Å; F11-C49 WeakPolarHBondContact CA-O 3.41Å; F11-C49 HydrophobicContact CD1-CB 4.49Å; F11-C49 WeakPolarHBondContact CD1-O 3.4Å; F11-L51 HydrophobicContact CB-CB 4.2Å; F11-L51 HydrophobicContact CB-CD1 3.7Å; F11-L51 HydrophobicContact CD1-CB 4.33Å; F11-L51 HydrophobicContact CD1-CD1 3.5Å; F11-L51 HydrophobicContact CD1-CG 4.45Å; F11-L51 HydrophobicContact CD2-CD1 3.56Å; F11-L51 HydrophobicContact CE1-CD1 3.89Å; F11-L51 HydrophobicContact CE2-CD1 3.93Å; F11-L51 HydrophobicContact CG-CB 4.46Å; F11-L51 HydrophobicContact CG-CD1 3.31Å; F11-L51 HydrophobicContact CG-CG 4.48Å; F11-L51 HydrophobicContact CZ-CD1 4.09Å
12T84.2Confident87Confident54 Ų5448.5 Ų48.533%0.33127%0.268SS..EExtended strand (participates in β ladder)trans-109.8128171.2-19.20000109.9E48T12-E48 PolarHBondContact OG1-OE1 3.09Å
13L82Confident88.8Confident79 Ų7945.5 Ų45.541%0.41424%0.244SC..EExtended strand (participates in β ladder)trans-131.197.5173.7-175.464.4000109.8N15 M16 I18L13-N15 PolarHBondContact O-N 2.95Å; L13-M16 HydrophobicContact CB-CE 4.3Å; L13-M16 HydrophobicContact CD2-CE 3.88Å; L13-M16 PolarHBondContact N-O 2.92Å; L13-M16 WeakPolarHBondContact O-CB 3.1Å; L13-M16 PolarHBondContact O-N 3.05Å; L13-I18 HydrophobicContact CB-CD1 4.44Å; L13-I18 HydrophobicContact CD2-CD1 4.41Å
14G81.3Confident90Very high68 Ų6842 Ų4270%0.70123%0.23SC*.THydrogen-bonded Turntrans60.5-124-172.900000111.1
15N78.8Confident90.3Very high152 Ų15244.2 Ų44.281%0.81323%0.234SC*.THydrogen-bonded Turntrans-86.4-6.8175.8-67.7-8000113.4L13 P146L13-N15 PolarHBondContact O-N 2.95Å; N15-P146 WeakPolarHBondContact O-CD 3.25Å
16M83.3Confident90Very high40 Ų4048.3 Ų48.320%0.19726%0.259CS..EExtended strand (participates in β ladder)trans-92.6138.5-178.6-172.8176.563.100110.3L13 I18 D143 I144 I145L13-M16 HydrophobicContact CB-CE 4.3Å; L13-M16 HydrophobicContact CD2-CE 3.88Å; L13-M16 PolarHBondContact N-O 2.92Å; L13-M16 WeakPolarHBondContact O-CB 3.1Å; L13-M16 PolarHBondContact O-N 3.05Å; M16-I18 HydrophobicContact CE-CD1 3.69Å; M16-I18 HydrophobicContact CE-CG1 3.75Å; M16-I18 HydrophobicContact CG-CG1 4.46Å; M16-D143 HydrophobicContact CG-CB 4.44Å; M16-D143 HydrophobicContact SD-CB 3.89Å; M16-I144 WeakPolarHBondContact CG-O 3.39Å; M16-I145 HydrophobicContact CG-CG1 3.93Å; M16-I145 HydrophobicContact SD-CD1 4.29Å; M16-I145 HydrophobicContact SD-CG1 3.81Å
17K88.7Confident89.6Confident110 Ų11050.6 Ų50.648%0.47827%0.271SS..EExtended strand (participates in β ladder)trans-104130.9168.3-70.2-179.2-178.6-179.80108.8I144K17-I144 HydrophobicContact CB-CB 4.4Å; K17-I144 HydrophobicContact CB-CD1 4.45Å; K17-I144 PolarHBondContact N-O 3.45Å; K17-I144 VanDerWaalsContact N-O 3.12Å; K17-I144 PolarHBondContact O-N 2.9Å
18I91.9Very high89.3Confident2 Ų254.9 Ų54.91%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-112.7126.8174.8-54.1175.6000107.2P10 F11 L13 M16 L51 D141 L142 D143P10-I18 CarbonylContact C-O 3.51Å; F11-I18 HydrophobicContact CB-CB 4.28Å; F11-I18 HydrophobicContact CD2-CG2 4.43Å; F11-I18 PolarHBondContact N-O 3.08Å; F11-I18 PolarHBondContact O-N 2.88Å; L13-I18 HydrophobicContact CB-CD1 4.44Å; L13-I18 HydrophobicContact CD2-CD1 4.41Å; M16-I18 HydrophobicContact CE-CD1 3.69Å; M16-I18 HydrophobicContact CE-CG1 3.75Å; M16-I18 HydrophobicContact CG-CG1 4.46Å; I18-L51 HydrophobicContact CD1-CD2 4.25Å; I18-D141 HydrophobicContact CG2-CB 4.22Å; I18-L142 CarbonylContact C-O 3.57Å; I18-L142 WeakPolarHBondContact CA-O 3.48Å; I18-D143 WeakPolarHBondContact CG1-OD1 3.46Å; I18-D143 WeakPolarHBondContact CG2-OD1 3.43Å
19I94.5Very high89Confident6 Ų661.7 Ų61.73%0.03133%0.325CS..EExtended strand (participates in β ladder)trans-114.2112.8171.8-58.5-176.7000108.4M8 P10 F21 Y118 L122 D141 L142 I144M8-I19 HydrophobicContact CG-CG2 3.53Å; M8-I19 HydrophobicContact SD-CG2 3.95Å; P10-I19 HydrophobicContact CB-CG1 4.45Å; I19-F21 HydrophobicContact CB-CE2 4.07Å; I19-F21 HydrophobicContact CB-CZ 4.23Å; I19-F21 HydrophobicContact CG2-CD2 4.31Å; I19-F21 HydrophobicContact CG2-CE1 3.96Å; I19-F21 HydrophobicContact CG2-CE2 3.59Å; I19-F21 HydrophobicContact CG2-CZ 3.41Å; I19-F21 VanDerWaalsContact CG2-CZ 3.41Å; I19-F21 WeakPolarHBondContact O-CD2 3.45Å; I19-F21 WeakPolarHBondContact O-CE2 3.42Å; I19-Y118 HydrophobicContact CD1-CE1 4.27Å; I19-Y118 WeakPolarHBondContact CD1-OH 3.31Å; I19-L122 HydrophobicContact CD1-CD1 3.53Å; I19-L122 HydrophobicContact CD1-CD2 3.47Å; I19-L122 VanDerWaalsContact CD1-CD2 3.47Å; I19-L122 HydrophobicContact CD1-CG 4.14Å; I19-L122 HydrophobicContact CG2-CD2 4.42Å; I19-D141 WeakPolarHBondContact O-CA 3.29Å; I19-L142 HydrophobicContact CB-CB 4.46Å; I19-L142 PolarHBondContact N-O 3.2Å; I19-L142 PolarHBondContact O-N 2.7Å; I19-I144 HydrophobicContact CD1-CD1 4.22Å; I19-I144 HydrophobicContact CG1-CD1 4.47Å
20R94.5Very high88.8Confident39 Ų3965.2 Ų65.215%0.14735%0.35CS..EExtended strand (participates in β ladder)trans-90131.8176177.7164.5-58.1161.39.8110.4M8 T9 F11 E22 R139 D141M8-R20 CarbonylContact C-O 3.58Å; M8-R20 VanDerWaalsContact CA-O 3.24Å; M8-R20 WeakPolarHBondContact CA-O 3.44Å; T9-R20 PolarHBondContact N-O 3.44Å; T9-R20 PolarHBondContact O-N 3.21Å; F11-R20 HydrophobicContact CD2-CB 4.35Å; F11-R20 HydrophobicContact CE2-CB 3.67Å; R20-E22 HydrophobicContact CG-CB 4.25Å; R20-E22 HydrophobicContact CG-CG 4.5Å; R20-R139 HydrophobicContact CG-CG 4.21Å; R20-R139 VanDerWaalsContact CZ-NH2 3.31Å; R20-R139 VanDerWaalsContact NE-CZ 3.31Å; R20-D141 WeakPolarHBondContact CB-OD1 3.19Å; R20-D141 WeakPolarHBondContact CG-OD1 3.41Å; R20-D141 IonicContact CZ-OD2 3.7Å; R20-D141 IonicContact NE-OD1 3.46Å; R20-D141 PolarHBondContact NE-OD1 3.38Å; R20-D141 VanDerWaalsContact NE-OD1 3.09Å; R20-D141 IonicContact NE-OD2 3.09Å; R20-D141 PolarHBondContact NE-OD2 3.36Å; R20-D141 IonicContact NH2-OD2 2.78Å; R20-D141 PolarHBondContact NH2-OD2 3.04Å; R20-D141 VanDerWaalsContact NH2-OD2 3.1Å
21F95.5Very high88.7Confident0 Ų066 Ų660%035%0.352CS..EExtended strand (participates in β ladder)trans-115.6116.2169.1-51.5-92.4000106.9V7 M8 I19 L122 V125 L126 M129 R139 V140 L142V7-F21 CarbonylContact O-C 3.57Å; V7-F21 WeakPolarHBondContact O-CA 3.32Å; M8-F21 HydrophobicContact CB-CD1 4.2Å; M8-F21 HydrophobicContact CB-CE1 4.37Å; M8-F21 HydrophobicContact CG-CD1 3.97Å; M8-F21 HydrophobicContact CG-CE1 3.72Å; M8-F21 HydrophobicContact CG-CZ 4.43Å; M8-F21 HydrophobicContact SD-CE1 3.78Å; M8-F21 HydrophobicContact SD-CZ 4.4Å; I19-F21 HydrophobicContact CB-CE2 4.07Å; I19-F21 HydrophobicContact CB-CZ 4.23Å; I19-F21 HydrophobicContact CG2-CD2 4.31Å; I19-F21 HydrophobicContact CG2-CE1 3.96Å; I19-F21 HydrophobicContact CG2-CE2 3.59Å; I19-F21 HydrophobicContact CG2-CZ 3.41Å; I19-F21 VanDerWaalsContact CG2-CZ 3.41Å; I19-F21 WeakPolarHBondContact O-CD2 3.45Å; I19-F21 WeakPolarHBondContact O-CE2 3.42Å; F21-L122 HydrophobicContact CZ-CD2 3.86Å; F21-V125 HydrophobicContact CD1-CB 4.47Å; F21-V125 HydrophobicContact CD1-CG1 3.89Å; F21-V125 HydrophobicContact CD2-CG1 3.55Å; F21-V125 HydrophobicContact CE1-CB 4.04Å; F21-V125 HydrophobicContact CE1-CG1 3.86Å; F21-V125 HydrophobicContact CE2-CB 4.21Å; F21-V125 HydrophobicContact CE2-CG1 3.54Å; F21-V125 HydrophobicContact CG-CG1 3.72Å; F21-V125 HydrophobicContact CZ-CB 3.88Å; F21-V125 HydrophobicContact CZ-CG1 3.67Å; F21-V125 HydrophobicContact CZ-CG2 4.47Å; F21-L126 HydrophobicContact CD1-CD2 3.9Å; F21-L126 HydrophobicContact CD1-CG 3.82Å; F21-L126 HydrophobicContact CE1-CD2 4.39Å; F21-L126 HydrophobicContact CE1-CG 3.82Å; F21-M129 HydrophobicContact CB-CE 4.31Å; F21-M129 HydrophobicContact CB-CG 4.14Å; F21-M129 WeakPolarHBondContact O-CE 3.48Å; F21-R139 CarbonylContact O-C 3.49Å; F21-R139 WeakPolarHBondContact O-CA 3.34Å; F21-V140 HydrophobicContact CB-CB 4.45Å; F21-V140 HydrophobicContact CD2-CB 4.43Å; F21-V140 WeakPolarHBondContact CD2-O 3.23Å; F21-V140 PolarHBondContact N-O 2.84Å; F21-V140 PolarHBondContact O-N 2.89Å; F21-L142 HydrophobicContact CE2-CB 4.01Å
22E94.5Very high88.7Confident55 Ų5566 Ų6626%0.25736%0.355SS..EExtended strand (participates in β ladder)trans-133.3142.5-17667.2-172.1167.300112.2V6 V7 R20 R138 R139V6-E22 CarbonylContact C-O 3.53Å; V6-E22 WeakPolarHBondContact CA-O 3.5Å; V7-E22 HydrophobicContact CB-CG 4.06Å; V7-E22 PolarHBondContact N-O 2.91Å; V7-E22 PolarHBondContact O-N 3.3Å; R20-E22 HydrophobicContact CG-CB 4.25Å; R20-E22 HydrophobicContact CG-CG 4.5Å; E22-R138 WeakPolarHBondContact CA-O 3.4Å; E22-R139 HydrophobicContact CB-CB 4.4Å; E22-R139 HydrophobicContact CB-CG 4.41Å
23R93.4Very high89.1Confident49 Ų4969.9 Ų69.919%0.18537%0.368CS..EExtended strand (participates in β ladder)trans-86.1121.1167.7-64.5-172.4-174.1-9412.8108.5Y5 V6 M129 G131 Y134 L137 R138Y5-R23 WeakPolarHBondContact O-CA 3.42Å; V6-R23 HydrophobicContact CG2-CG 4.26Å; R23-M129 HydrophobicContact CG-CE 4.24Å; R23-M129 PolarHBondContact NH1-O 3.32Å; R23-M129 PolarHBondContact NH2-O 3.16Å; R23-G131 PolarHBondContact NH2-O 2.93Å; R23-Y134 PolarHBondContact NH2-O 2.86Å; R23-L137 WeakPolarHBondContact CD-O 3.35Å; R23-L137 PolarHBondContact NE-O 3.41Å; R23-R138 PolarHBondContact N-O 3.08Å
24T90.8Very high89.6Confident32 Ų3271.1 Ų71.120%0.19637%0.372CS..EExtended strand (participates in β ladder)trans-141.6150.9178.1-178.10000111.7Y5 V7 N26Y5-T24 PolarHBondContact N-O 3.45Å; Y5-T24 PolarHBondContact O-N 2.9Å; V7-T24 HydrophobicContact CB-CG2 4.36Å; V7-T24 HydrophobicContact CG2-CG2 3.43Å; V7-T24 VanDerWaalsContact CG2-CG2 3.43Å; T24-N26 PolarHBondContact OG1-N 2.92Å; T24-N26 PolarHBondContact OG1-O 2.9Å; T24-N26 VanDerWaalsContact OG1-O 3.04Å
25H88.3Confident90.1Very high103 Ų10372.8 Ų72.848%0.47736%0.364SS..SBendtrans-97.7-13.3169.2-61-63.9000112.5Q3Q3-H25 PolarHBondContact O-ND1 3.09Å
26N86.8Confident90.5Very high141 Ų14166.4 Ų66.475%0.75433%0.332SS*.  trans-110.7107-175.4-64.1-19.6000108.1T24T24-N26 PolarHBondContact OG1-N 2.92Å; T24-N26 PolarHBondContact OG1-O 2.9Å; T24-N26 VanDerWaalsContact OG1-O 3.04Å
27L85.8Confident90.7Very high50 Ų5067.1 Ų67.126%0.26235%0.349SS..  trans-97.2128.3177.8-159.276000110V7 E29 V32 I44V7-L27 HydrophobicContact CG2-CD1 3.73Å; L27-E29 PolarHBondContact O-N 3.49Å; L27-V32 HydrophobicContact CD2-CG2 3.6Å; L27-V32 HydrophobicContact CG-CG2 3.97Å; L27-I44 HydrophobicContact CD1-CB 4.19Å; L27-I44 HydrophobicContact CD1-CG1 3.84Å; L27-I44 HydrophobicContact CD1-CG2 4Å; L27-I44 HydrophobicContact CD2-CD1 4.27Å; L27-I44 HydrophobicContact CD2-CG1 4.36Å; L27-I44 HydrophobicContact CD2-CG2 4.46Å
28D88.1Confident90.7Very high92 Ų9265.2 Ų65.249%0.49236%0.361SS..  trans-84.598.8165.3-177.7-6.6000108.9S30 M31D28-S30 VanDerWaalsContact CG-OG 3.26Å; D28-S30 PolarHBondContact O-N 3.49Å; D28-S30 VanDerWaalsContact O-N 3.1Å; D28-S30 VanDerWaalsContact OD1-CB 3.31Å; D28-S30 WeakPolarHBondContact OD1-CB 3.45Å; D28-S30 PolarHBondContact OD1-N 3.01Å; D28-S30 PolarHBondContact OD1-OG 3.3Å; D28-S30 PolarHBondContact OD2-OG 3.21Å; D28-M31 HydrophobicContact CB-CB 4.43Å; D28-M31 HydrophobicContact CB-CG 4.23Å; D28-M31 PolarHBondContact O-N 3.25Å; D28-M31 VanDerWaalsContact O-N 3.1Å; D28-M31 WeakPolarHBondContact OD2-CG 3.39Å
29E88.2Confident90.3Very high167 Ų16773.8 Ų73.878%0.7840%0.401SS*.THydrogen-bonded Turntrans-57.2-25.1-178.6-65.1-173.1173.400113.4L27 M31 V32L27-E29 PolarHBondContact O-N 3.49Å; E29-M31 VanDerWaalsContact C-N 3.27Å; E29-M31 PolarHBondContact O-N 3.36Å; E29-V32 PolarHBondContact O-N 2.88Å
30S90.5Very high89.8Confident78 Ų7877.9 Ų77.955%0.54542%0.42SS..THydrogen-bonded Turntrans-68.5-28.8-179.8760000112.9D28 K47D28-S30 VanDerWaalsContact CG-OG 3.26Å; D28-S30 PolarHBondContact O-N 3.49Å; D28-S30 VanDerWaalsContact O-N 3.1Å; D28-S30 VanDerWaalsContact OD1-CB 3.31Å; D28-S30 WeakPolarHBondContact OD1-CB 3.45Å; D28-S30 PolarHBondContact OD1-N 3.01Å; D28-S30 PolarHBondContact OD1-OG 3.3Å; D28-S30 PolarHBondContact OD2-OG 3.21Å; S30-K47 PolarHBondContact O-NZ 3.25Å
31M90.6Very high89.4Confident43 Ų4379.1 Ų79.121%0.21243%0.434CS..THydrogen-bonded Turntrans-86-18.8-177.5-69.8-70.1-66.500112.8D28 E29 H33 N46 K47 C49D28-M31 HydrophobicContact CB-CB 4.43Å; D28-M31 HydrophobicContact CB-CG 4.23Å; D28-M31 PolarHBondContact O-N 3.25Å; D28-M31 VanDerWaalsContact O-N 3.1Å; D28-M31 WeakPolarHBondContact OD2-CG 3.39Å; E29-M31 VanDerWaalsContact C-N 3.27Å; E29-M31 PolarHBondContact O-N 3.36Å; M31-H33 PolarHBondContact O-N 2.81Å; M31-N46 HydrophobicContact CB-CB 4.39Å; M31-N46 CarbonylContact O-C 3.55Å; M31-N46 VanDerWaalsContact O-CA 3.28Å; M31-N46 WeakPolarHBondContact O-CA 3.16Å; M31-K47 WeakPolarHBondContact O-CG 3.38Å; M31-K47 PolarHBondContact O-N 3Å; M31-C49 HydrophobicContact CE-CB 4.04Å; M31-C49 WeakPolarHBondContact CE-SG 3.32Å
32V91.6Very high89Confident27 Ų2779.3 Ų79.316%0.16444%0.436CS..EExtended strand (participates in β ladder)trans-64.2124-174.5-179.50000110.5L27 E29 I35 I44L27-V32 HydrophobicContact CD2-CG2 3.6Å; L27-V32 HydrophobicContact CG-CG2 3.97Å; E29-V32 PolarHBondContact O-N 2.88Å; V32-I35 HydrophobicContact CG1-CD1 4.08Å; V32-I35 HydrophobicContact CG1-CG1 3.57Å; V32-I44 HydrophobicContact CB-CG2 4.45Å; V32-I44 HydrophobicContact CG1-CG2 3.92Å; V32-I44 HydrophobicContact CG2-CG2 3.96Å
33H92.1Very high88.9Confident134 Ų13477.3 Ų77.362%0.6243%0.428SS*.EExtended strand (participates in β ladder)trans-98.6-39.9170.7179.7-90.9000111.1M31 V45 K47M31-H33 PolarHBondContact O-N 2.81Å; H33-V45 WeakPolarHBondContact CA-O 3.33Å; H33-V45 WeakPolarHBondContact CB-O 3.49Å; H33-V45 PolarHBondContact N-O 2.84Å; H33-K47 HydrophobicContact CB-CG 3.84Å
34H92.1Very high88.9Confident106 Ų10675 Ų7549%0.49142%0.419SS..EExtended strand (participates in β ladder)trans-149.7141.6-178.5-177.771.7000111.8V45H34-V45 HydrophobicContact CB-CB 4.25Å; H34-V45 PolarHBondContact N-O 2.72Å; H34-V45 PolarHBondContact O-N 3.24Å
35I91Very high89Confident103 Ų10375 Ų7553%0.52842%0.418SS..EExtended strand (participates in β ladder)trans-116.1120.8173.2-56.6-175.5000107V32 I44V32-I35 HydrophobicContact CG1-CD1 4.08Å; V32-I35 HydrophobicContact CG1-CG1 3.57Å; I35-I44 HydrophobicContact CB-CD1 4.1Å; I35-I44 HydrophobicContact CD1-CD1 4.33Å; I35-I44 HydrophobicContact CG1-CD1 3.8Å; I35-I44 HydrophobicContact CG2-CD1 3.74Å
36A88.4Confident89.3Confident17 Ų1770.9 Ų70.914%0.1440%0.4CS..  trans-71.8144.3179.200000111.4H40 I43A36-H40 HydrophobicContact CB-CB 3.9Å; A36-H40 WeakPolarHBondContact CB-O 3.45Å; A36-I43 HydrophobicContact CB-CB 3.93Å; A36-I43 HydrophobicContact CB-CG2 4.41Å; A36-I43 WeakPolarHBondContact CB-O 3.31Å; A36-I43 PolarHBondContact N-O 2.8Å
37G87.3Confident89.5Confident55 Ų5568.9 Ų68.957%0.56739%0.385SS*.  trans-106.1176.2177.700000113.8H40G37-H40 PolarHBondContact O-N 3.03Å
38G88Confident89.5Confident70 Ų7071.9 Ų71.972%0.72240%0.397SS*.G310 helixtrans63.1-134.8173.700000113.3H40 S41G38-H40 PolarHBondContact O-N 3.13Å; G38-H40 VanDerWaalsContact O-N 3.14Å; G38-S41 VanDerWaalsContact O-CB 3.26Å; G38-S41 WeakPolarHBondContact O-CB 3.35Å; G38-S41 PolarHBondContact O-N 2.78Å
39Q83.5Confident89.1Confident182 Ų18269.5 Ų69.585%0.8539%0.387SS*.G310 helixtrans-63.8-15.6179.4-66.3179.9-7.600113.6
40H84Confident88.5Confident92 Ų9270.4 Ų70.443%0.42639%0.389SS..G310 helixtrans-100.19.5177.9-60.2-48.4000112.9A36 G37 G38 G42 I43A36-H40 HydrophobicContact CB-CB 3.9Å; A36-H40 WeakPolarHBondContact CB-O 3.45Å; G37-H40 PolarHBondContact O-N 3.03Å; G38-H40 PolarHBondContact O-N 3.13Å; G38-H40 VanDerWaalsContact O-N 3.14Å; H40-G42 PolarHBondContact O-N 2.93Å; H40-I43 HydrophobicContact CB-CD1 4.22Å; H40-I43 WeakPolarHBondContact O-CB 3.43Å; H40-I43 PolarHBondContact O-N 3.4Å
41S86.3Confident87.4Confident65 Ų6568.1 Ų68.146%0.45537%0.37SS..THydrogen-bonded Turntrans-52.2131.9173.8-175.90000110.7G38 H130G38-S41 VanDerWaalsContact O-CB 3.26Å; G38-S41 WeakPolarHBondContact O-CB 3.35Å; G38-S41 PolarHBondContact O-N 2.78Å; S41-H130 PolarHBondContact O-NE2 2.81Å
42G87.9Confident86.1Confident4 Ų474.5 Ų74.54%0.04140%0.397CS..THydrogen-bonded Turntrans101.8-12.8-172.700000114.3Y5 V6 H40Y5-G42 CarbonylContact C-O 3.59Å; Y5-G42 VanDerWaalsContact CA-O 3.25Å; Y5-G42 WeakPolarHBondContact CA-O 2.98Å; V6-G42 PolarHBondContact N-O 3.24Å; H40-G42 PolarHBondContact O-N 2.93Å
43I92.7Very high84Confident14 Ų1482 Ų827%0.07243%0.433CS..EExtended strand (participates in β ladder)trans-85.1128.4170-63.9174.2000109.9V6 A36 H40 L126 H130V6-I43 CarbonylContact O-C 3.51Å; V6-I43 WeakPolarHBondContact O-CA 3.31Å; A36-I43 HydrophobicContact CB-CB 3.93Å; A36-I43 HydrophobicContact CB-CG2 4.41Å; A36-I43 WeakPolarHBondContact CB-O 3.31Å; A36-I43 PolarHBondContact N-O 2.8Å; H40-I43 HydrophobicContact CB-CD1 4.22Å; H40-I43 WeakPolarHBondContact O-CB 3.43Å; H40-I43 PolarHBondContact O-N 3.4Å; I43-L126 HydrophobicContact CG2-CD1 4.08Å; I43-L126 HydrophobicContact CG2-CD2 3.76Å; I43-L126 HydrophobicContact CG2-CG 4.44Å; I43-H130 HydrophobicContact CD1-CB 3.86Å; I43-H130 HydrophobicContact CG1-CB 3.95Å
44I92.5Very high82.1Confident1 Ų182.8 Ų82.81%0.00544%0.436CS..EExtended strand (participates in β ladder)trans-121.7139.4178.2-47.6-67.9000109.4Y5 V6 V7 M8 L27 V32 I35Y5-I44 HydrophobicContact CD1-CD1 3.98Å; Y5-I44 HydrophobicContact CD1-CG1 3.91Å; Y5-I44 HydrophobicContact CE1-CD1 4.45Å; Y5-I44 HydrophobicContact CG-CG1 4.24Å; V6-I44 PolarHBondContact O-N 2.86Å; V7-I44 CarbonylContact C-O 3.5Å; V7-I44 WeakPolarHBondContact CA-O 3.46Å; V7-I44 HydrophobicContact CG1-CB 4.38Å; V7-I44 HydrophobicContact CG2-CB 4.09Å; V7-I44 HydrophobicContact CG2-CG1 4.33Å; M8-I44 PolarHBondContact N-O 3.39Å; L27-I44 HydrophobicContact CD1-CB 4.19Å; L27-I44 HydrophobicContact CD1-CG1 3.84Å; L27-I44 HydrophobicContact CD1-CG2 4Å; L27-I44 HydrophobicContact CD2-CD1 4.27Å; L27-I44 HydrophobicContact CD2-CG1 4.36Å; L27-I44 HydrophobicContact CD2-CG2 4.46Å; V32-I44 HydrophobicContact CB-CG2 4.45Å; V32-I44 HydrophobicContact CG1-CG2 3.92Å; V32-I44 HydrophobicContact CG2-CG2 3.96Å; I35-I44 HydrophobicContact CB-CD1 4.1Å; I35-I44 HydrophobicContact CD1-CD1 4.33Å; I35-I44 HydrophobicContact CG1-CD1 3.8Å; I35-I44 HydrophobicContact CG2-CD1 3.74Å
45V93.5Very high80.3Confident30 Ų3083.9 Ų83.918%0.18245%0.453CS..EExtended strand (participates in β ladder)trans-115.4120.4171.3179.50000108.3M8 H33 H34M8-V45 HydrophobicContact CE-CB 4.31Å; M8-V45 HydrophobicContact CE-CG1 3.5Å; M8-V45 HydrophobicContact CE-CG2 3.95Å; H33-V45 WeakPolarHBondContact CA-O 3.33Å; H33-V45 WeakPolarHBondContact CB-O 3.49Å; H33-V45 PolarHBondContact N-O 2.84Å; H34-V45 HydrophobicContact CB-CB 4.25Å; H34-V45 PolarHBondContact N-O 2.72Å; H34-V45 PolarHBondContact O-N 3.24Å
46N93.5Very high78.8Confident17 Ų1783.1 Ų83.19%0.09145%0.448CS..EExtended strand (participates in β ladder)trans-85160.1175.7-76.9-14.2000111.8V7 M8 T9 M31V7-N46 WeakPolarHBondContact CG1-ND2 3.41Å; M8-N46 PolarHBondContact O-N 2.86Å; T9-N46 HydrophobicContact CG2-CB 4.01Å; T9-N46 PolarHBondContact OG1-ND2 2.8Å; M31-N46 HydrophobicContact CB-CB 4.39Å; M31-N46 CarbonylContact O-C 3.55Å; M31-N46 VanDerWaalsContact O-CA 3.28Å; M31-N46 WeakPolarHBondContact O-CA 3.16Å
47K91.4Very high78.2Confident99 Ų9985.7 Ų85.743%0.4346%0.46SS..PPolyproline II helixtrans-64.4145.4168.8-63.9168-170.3156.90109.5S30 M31 H33 C49S30-K47 PolarHBondContact O-NZ 3.25Å; M31-K47 WeakPolarHBondContact O-CG 3.38Å; M31-K47 PolarHBondContact O-N 3Å; H33-K47 HydrophobicContact CB-CG 3.84Å; K47-C49 PolarHBondContact O-N 2.86Å
48E85.6Confident77.9Confident113 Ų11388 Ų8853%0.52846%0.462SS..PPolyproline II helixtrans-61.5135172.9-173.6171.7-16600110.7P10 T12P10-E48 HydrophobicContact CB-CB 4.47Å; P10-E48 HydrophobicContact CB-CG 4.36Å; P10-E48 HydrophobicContact CG-CB 3.97Å; P10-E48 HydrophobicContact CG-CG 4.39Å; P10-E48 WeakPolarHBondContact O-CA 3.33Å; T12-E48 PolarHBondContact OG1-OE1 3.09Å
49C81Confident77.8Confident42 Ų4286.2 Ų86.228%0.28444%0.438SS..EExtended strand (participates in β ladder)trans-135.5155.5178.7-82.50000111.7P10 F11 M31 K47 L51P10-C49 PolarHBondContact O-N 3.48Å; F11-C49 VanDerWaalsContact CA-O 3.3Å; F11-C49 WeakPolarHBondContact CA-O 3.41Å; F11-C49 HydrophobicContact CD1-CB 4.49Å; F11-C49 WeakPolarHBondContact CD1-O 3.4Å; M31-C49 HydrophobicContact CE-CB 4.04Å; M31-C49 WeakPolarHBondContact CE-SG 3.32Å; K47-C49 PolarHBondContact O-N 2.86Å; C49-L51 PolarHBondContact O-N 3.49Å
50K74.7Confident78.1Confident186 Ų18680.2 Ų80.281%0.80941%0.41SS*.EExtended strand (participates in β ladder)trans-74126.2170.4-67.4-171.7177-175.20108.7K52K50-K52 PolarHBondContact O-N 3.44Å
51L68.1Low78.3Confident31 Ų3176.5 Ų76.516%0.16239%0.393CS..PPolyproline II helixtrans-60.5120.7176.2-153.391.7000108.2F11 I18 C49 M56F11-L51 HydrophobicContact CB-CB 4.2Å; F11-L51 HydrophobicContact CB-CD1 3.7Å; F11-L51 HydrophobicContact CD1-CB 4.33Å; F11-L51 HydrophobicContact CD1-CD1 3.5Å; F11-L51 HydrophobicContact CD1-CG 4.45Å; F11-L51 HydrophobicContact CD2-CD1 3.56Å; F11-L51 HydrophobicContact CE1-CD1 3.89Å; F11-L51 HydrophobicContact CE2-CD1 3.93Å; F11-L51 HydrophobicContact CG-CB 4.46Å; F11-L51 HydrophobicContact CG-CD1 3.31Å; F11-L51 HydrophobicContact CG-CG 4.48Å; F11-L51 HydrophobicContact CZ-CD1 4.09Å; I18-L51 HydrophobicContact CD1-CD2 4.25Å; C49-L51 PolarHBondContact O-N 3.49Å; L51-M56 HydrophobicContact CD2-SD 4.47Å
52K62.3Low78.5Confident177 Ų17777 Ų7777%0.7739%0.388SS*.PPolyproline II helixtrans-74.2131.2164.9-70.2-178.3-179.5176.20106.6K50 E54K50-K52 PolarHBondContact O-N 3.44Å; K52-E54 PolarHBondContact O-N 2.64Å
53M48.5Very low78.5Confident185 Ų18577 Ų7791%0.91139%0.387SS*.  trans-65.872.4174.4-72.4178.466.300109.9
54E52.1Low78.3Confident150 Ų15077.6 Ų77.670%0.70139%0.389SS*.  trans-76154.6159.8-74.2-173177.300108.5K52 M56K52-E54 PolarHBondContact O-N 2.64Å; E54-M56 PolarHBondContact O-N 3.17Å
55P54.7Low77.9Confident128 Ų12877.6 Ų77.683%0.83139%0.389SS*.  trans-53.8110.4172.321.2-30.3000108D57P55-D57 PolarHBondContact O-N 3.41Å
56M59.7Low77.3Confident87 Ų8777.8 Ų77.843%0.42939%0.391SS..  trans-61.8110.4-178.6-85.9-87.2-80.400107.6L51 E54 V58L51-M56 HydrophobicContact CD2-SD 4.47Å; E54-M56 PolarHBondContact O-N 3.17Å; M56-V58 PolarHBondContact O-N 3.15Å; M56-V58 VanDerWaalsContact O-N 3.16Å
57D75.1Confident76.7Confident72 Ų7277.6 Ų77.639%0.38539%0.391SS..  trans-45.6119.5166.6-170.915.7000108.2P55 W87 R138P55-D57 PolarHBondContact O-N 3.41Å; D57-W87 VanDerWaalsContact O-CZ2 3.29Å; D57-W87 WeakPolarHBondContact O-CZ2 3.17Å; D57-W87 PolarHBondContact O-NE1 2.87Å; D57-W87 VanDerWaalsContact O-NE1 3.15Å; D57-R138 IonicContact OD2-CZ 3.4Å; D57-R138 IonicContact OD2-NH1 3.7Å; D57-R138 PolarHBondContact OD2-NH1 3.24Å; D57-R138 IonicContact OD2-NH2 2.66Å; D57-R138 PolarHBondContact OD2-NH2 3.45Å
58V80.5Confident75.9Confident103 Ų10377.4 Ų77.462%0.62439%0.393SS*.  trans-65.5127.7-173.4179.40000108.2M56 W87M56-V58 PolarHBondContact O-N 3.15Å; M56-V58 VanDerWaalsContact O-N 3.16Å; V58-W87 PolarHBondContact O-NE1 3.47Å
59P87Confident75.4Confident32 Ų3273.9 Ų73.921%0.20838%0.377CS..  trans-62.4140.7176.727.1-33.9000110.7K85 W87P59-K85 HydrophobicContact CB-CB 3.88Å; P59-K85 HydrophobicContact CB-CG 4.18Å; P59-K85 HydrophobicContact CG-CB 4.45Å; P59-K85 HydrophobicContact CG-CD 4.33Å; P59-K85 HydrophobicContact CG-CG 4.22Å; P59-W87 HydrophobicContact CB-CH2 4.12Å; P59-W87 HydrophobicContact CB-CZ2 3.73Å; P59-W87 HydrophobicContact CG-CZ2 4.42Å
60E89.5Confident75Confident56 Ų5677.4 Ų77.426%0.26239%0.388SS..SBendtrans-83.1-26.8-179.2-67.5161.1-17900111.5F86 F88E60-F86 PolarHBondContact N-O 3.06Å; E60-F88 HydrophobicContact CB-CD2 4.28Å; E60-F88 WeakPolarHBondContact OE2-CA 3.25Å; E60-F88 VanDerWaalsContact OE2-CB 3.26Å; E60-F88 WeakPolarHBondContact OE2-CB 3.34Å; E60-F88 VanDerWaalsContact OE2-CD2 3.3Å; E60-F88 WeakPolarHBondContact OE2-CD2 3.42Å; E60-F88 PolarHBondContact OE2-N 3.03Å
61M88.8Confident75Confident15 Ų1571.5 Ų71.57%0.07437%0.365CS..EExtended strand (participates in β ladder)trans-140.6148.4167.7-60.6-65.7162.200108.5F86 F88 Q94 R97 L98 Y353M61-F86 HydrophobicContact CB-CB 4.12Å; M61-F86 HydrophobicContact CB-CD2 4.02Å; M61-F86 HydrophobicContact CB-CG 4.46Å; M61-F86 PolarHBondContact N-O 3.23Å; M61-F86 PolarHBondContact O-N 3.29Å; M61-F88 HydrophobicContact CB-CE2 4.39Å; M61-F88 HydrophobicContact CG-CE2 3.96Å; M61-Q94 HydrophobicContact CE-CG 4.49Å; M61-R97 HydrophobicContact CE-CB 3.76Å; M61-R97 HydrophobicContact CG-CB 4.28Å; M61-L98 HydrophobicContact CE-CD2 3.68Å; M61-L98 HydrophobicContact CE-CG 3.66Å; M61-L98 HydrophobicContact SD-CD2 3.61Å; M61-L98 HydrophobicContact SD-CG 4.23Å; M61-Y353 HydrophobicContact CB-CD1 3.86Å; M61-Y353 HydrophobicContact CB-CE1 4.33Å; M61-Y353 HydrophobicContact SD-CD1 4.44Å; M61-Y353 HydrophobicContact SD-CG 4.33Å
62Q90.3Very high75.3Confident75 Ų7576.6 Ų76.635%0.3539%0.393SS..EExtended strand (participates in β ladder)trans-146.6150.5170.865.5176.83.200112L84 K85 Y353Q62-L84 CarbonylContact C-O 3.17Å; Q62-L84 WeakPolarHBondContact CA-O 3.38Å; Q62-K85 HydrophobicContact CB-CG 4.06Å; Q62-Y353 VanDerWaalsContact O-CD1 3.29Å; Q62-Y353 WeakPolarHBondContact O-CD1 3.45Å
63L87.3Confident76.1Confident5 Ų579.5 Ų79.53%0.02640%0.399CS..EExtended strand (participates in β ladder)trans-145.3136178-172.692.2000110.1C83 L84 F105 V352 Y353 I492L63-C83 CarbonylContact O-C 3.55Å; L63-C83 WeakPolarHBondContact O-CA 3.17Å; L63-L84 PolarHBondContact N-O 3.25Å; L63-L84 PolarHBondContact O-N 3.36Å; L63-F105 HydrophobicContact CD2-CD1 3.44Å; L63-F105 VanDerWaalsContact CD2-CD1 3.44Å; L63-F105 HydrophobicContact CD2-CD2 3.52Å; L63-F105 HydrophobicContact CD2-CE1 3.21Å; L63-F105 HydrophobicContact CD2-CE2 3.33Å; L63-F105 HydrophobicContact CD2-CG 3.56Å; L63-F105 HydrophobicContact CD2-CZ 3.15Å; L63-V352 HydrophobicContact CD1-CB 3.46Å; L63-V352 VanDerWaalsContact CD1-CB 3.46Å; L63-V352 HydrophobicContact CD1-CG1 4.15Å; L63-V352 HydrophobicContact CD1-CG2 3.3Å; L63-Y353 HydrophobicContact CB-CD1 4.47Å; L63-Y353 HydrophobicContact CB-CE1 3.64Å; L63-Y353 HydrophobicContact CD1-CE1 4.13Å; L63-Y353 HydrophobicContact CD1-CE2 4.43Å; L63-Y353 HydrophobicContact CG-CE1 4.46Å; L63-I492 HydrophobicContact CD1-CD1 4.07Å; L63-I492 HydrophobicContact CD1-CG2 3.86Å; L63-I492 HydrophobicContact CD2-CD1 4.29Å; L63-I492 HydrophobicContact CG-CG2 4.31Å
64Q87.4Confident77.6Confident25 Ų2574 Ų7412%0.11738%0.376CS..EExtended strand (participates in β ladder)trans-121.6134.6175.6179.5176-16.400111.7N81 R82 C83 I492 K493Q64-N81 HydrophobicContact CG-CB 4.35Å; Q64-N81 VanDerWaalsContact NE2-CB 3.33Å; Q64-N81 VanDerWaalsContact NE2-CG 3.28Å; Q64-N81 PolarHBondContact NE2-ND2 3.07Å; Q64-R82 VanDerWaalsContact CA-O 3.3Å; Q64-R82 WeakPolarHBondContact CA-O 3.49Å; Q64-C83 HydrophobicContact CB-CB 4.02Å; Q64-C83 HydrophobicContact CG-CB 4.14Å; Q64-I492 WeakPolarHBondContact O-CA 3.23Å; Q64-I492 WeakPolarHBondContact O-CG2 3.41Å; Q64-K493 HydrophobicContact CB-CB 3.99Å; Q64-K493 HydrophobicContact CB-CD 4.5Å; Q64-K493 VanDerWaalsContact CD-CD 3.45Å; Q64-K493 HydrophobicContact CG-CB 4.06Å; Q64-K493 HydrophobicContact CG-CD 4.27Å; Q64-K493 PolarHBondContact O-N 3.4Å; Q64-K493 VanDerWaalsContact OE1-CD 3.28Å
65F84.8Confident78.7Confident1 Ų171 Ų710%0.00437%0.372CS..EExtended strand (participates in β ladder)trans-138.9154.3178.565.1-78000110.5C67 R82 L84 F105 F121F65-C67 WeakPolarHBondContact CE2-SG 3.41Å; F65-R82 HydrophobicContact CD1-CB 4.22Å; F65-R82 WeakPolarHBondContact CD1-O 3.46Å; F65-R82 HydrophobicContact CE1-CB 3.69Å; F65-R82 HydrophobicContact CE2-CB 4.11Å; F65-R82 HydrophobicContact CZ-CB 3.63Å; F65-R82 HydrophobicContact CZ-CG 4.38Å; F65-R82 PolarHBondContact N-O 2.65Å; F65-R82 PolarHBondContact O-N 2.7Å; F65-L84 HydrophobicContact CE1-CD1 3.89Å; F65-L84 HydrophobicContact CE1-CG 4.19Å; F65-F105 HydrophobicContact CB-CZ 4.4Å; F65-F105 AromaticContact CD1-CE2 3.6Å; F65-F105 HydrophobicContact CD1-CE2 3.6Å; F65-F105 HydrophobicContact CD1-CZ 4.03Å; F65-F105 AromaticContact CE1-CE2 3.72Å; F65-F105 HydrophobicContact CE1-CE2 3.72Å; F65-F105 HydrophobicContact CG-CE2 4.13Å; F65-F105 HydrophobicContact CG-CZ 4.18Å; F65-F105 HydrophobicContact CZ-CE2 4.3Å; F65-F121 HydrophobicContact CZ-CE2 4.2Å; F65-F121 AromaticContact CZ-CZ 3.81Å; F65-F121 HydrophobicContact CZ-CZ 3.81Å
66T82.1Confident79.7Confident34 Ų3470.9 Ų70.921%0.20936%0.36CS..EExtended strand (participates in β ladder)trans-96.4135.4-177.8-50.40000111.2A79 N81 L147 L155 D491T66-A79 HydrophobicContact CG2-CB 4.41Å; T66-N81 PolarHBondContact OG1-OD1 3.38Å; T66-L147 HydrophobicContact CG2-CD1 3.71Å; T66-L155 HydrophobicContact CG2-CD1 3.45Å; T66-L155 VanDerWaalsContact CG2-CD1 3.45Å; T66-L155 HydrophobicContact CG2-CD2 3.73Å; T66-L155 HydrophobicContact CG2-CG 4.24Å; T66-D491 PolarHBondContact N-O 2.66Å
67C79.4Confident80.3Confident14 Ų1470.5 Ų70.510%0.09536%0.362CS..EExtended strand (participates in β ladder)trans-115121.2175.1-78.60000110F65 A79 E80F65-C67 WeakPolarHBondContact CE2-SG 3.41Å; C67-A79 VanDerWaalsContact O-CA 3.24Å; C67-A79 WeakPolarHBondContact O-CA 3.46Å; C67-E80 HydrophobicContact CB-CG 4.26Å; C67-E80 PolarHBondContact N-O 3.08Å; C67-E80 PolarHBondContact O-N 3.41Å
68I76.1Confident80.4Confident94 Ų9471 Ų7148%0.48236%0.362SS..EExtended strand (participates in β ladder)trans-98.3120.6171-52.8174.7000107.9T77 A79 L155I68-T77 HydrophobicContact CG2-CG2 3.32Å; I68-A79 HydrophobicContact CG1-CB 4.19Å; I68-L155 HydrophobicContact CD1-CB 3.85Å; I68-L155 HydrophobicContact CG1-CB 4.44Å; I68-L155 HydrophobicContact CG1-CD1 4.23Å
69M75Confident80.5Confident39 Ų3966.4 Ų66.419%0.19234%0.335CS..EExtended strand (participates in β ladder)trans-114.7129.8-178.2-69.5177.2-77.400110.1T77 H78 E80M69-T77 WeakPolarHBondContact O-CA 3.46Å; M69-H78 WeakPolarHBondContact CB-CE1 3.45Å; M69-H78 WeakPolarHBondContact CE-CD2 3.26Å; M69-H78 WeakPolarHBondContact CE-NE2 3.33Å; M69-H78 PolarHBondContact N-O 3.02Å; M69-H78 PolarHBondContact O-N 3.27Å; M69-H78 PolarHBondContact O-ND1 2.96Å; M69-H78 VanDerWaalsContact O-ND1 3.16Å; M69-E80 HydrophobicContact CE-CB 4.37Å; M69-E80 HydrophobicContact CE-CG 3.62Å; M69-E80 WeakPolarHBondContact CE-OE1 3.5Å; M69-E80 VanDerWaalsContact CE-OE2 3.29Å; M69-E80 WeakPolarHBondContact CE-OE2 3.28Å
70F72.5Confident80.4Confident116 Ų11665.9 Ų65.951%0.50933%0.33SS..EExtended strand (participates in β ladder)trans-106.2122.4176.2-178.3-104.4000110.2N72F70-N72 WeakPolarHBondContact CD1-OD1 3.49Å; F70-N72 WeakPolarHBondContact CE1-OD1 3.33Å; F70-N72 PolarHBondContact O-N 3.02Å
71N74Confident80.2Confident62 Ų6264.2 Ų64.233%0.33232%0.323SS..EExtended strand (participates in β ladder)trans-87.5102.7176.1-175.2-17.1000110R73 T74 S75 E76N71-R73 PolarHBondContact O-N 3.11Å; N71-R73 WeakPolarHBondContact OD1-CB 3.24Å; N71-R73 PolarHBondContact OD1-N 2.92Å; N71-T74 WeakPolarHBondContact CB-OG1 3.39Å; N71-T74 VanDerWaalsContact CG-OG1 3.29Å; N71-T74 PolarHBondContact ND2-OG1 2.62Å; N71-T74 PolarHBondContact O-N 3.06Å; N71-T74 PolarHBondContact OD1-N 2.74Å; N71-S75 VanDerWaalsContact O-CA 3.32Å; N71-S75 WeakPolarHBondContact O-CA 3.27Å; N71-S75 PolarHBondContact O-N 3.44Å; N71-E76 PolarHBondContact N-O 3.43Å
72N73.6Confident80.3Confident138 Ų13864 Ų6474%0.73832%0.321SS*.THydrogen-bonded Turntrans-55.8-20.7178.4-71.7-23.1000114.8F70F70-N72 WeakPolarHBondContact CD1-OD1 3.49Å; F70-N72 WeakPolarHBondContact CE1-OD1 3.33Å; F70-N72 PolarHBondContact O-N 3.02Å
73R78.7Confident80.3Confident238 Ų23860.7 Ų60.790%0.89831%0.307SS*.THydrogen-bonded Turntrans-87.6-39.5-179.1-63.9-177.9179.3175.30.4112.9N71N71-R73 PolarHBondContact O-N 3.11Å; N71-R73 WeakPolarHBondContact OD1-CB 3.24Å; N71-R73 PolarHBondContact OD1-N 2.92Å
74T81.6Confident80.6Confident70 Ų7060.5 Ų60.543%0.42931%0.305SS..THydrogen-bonded Turntrans-98.7-10.9-178.661.50000112.7N71 E76N71-T74 WeakPolarHBondContact CB-OG1 3.39Å; N71-T74 VanDerWaalsContact CG-OG1 3.29Å; N71-T74 PolarHBondContact ND2-OG1 2.62Å; N71-T74 PolarHBondContact O-N 3.06Å; N71-T74 PolarHBondContact OD1-N 2.74Å; T74-E76 WeakPolarHBondContact CB-OE2 3.41Å; T74-E76 PolarHBondContact O-N 3.32Å; T74-E76 WeakPolarHBondContact OG1-CB 3.35Å; T74-E76 WeakPolarHBondContact OG1-CG 3.39Å; T74-E76 PolarHBondContact OG1-N 3.3Å; T74-E76 PolarHBondContact OG1-OE2 3.08Å
75S75.3Confident80.9Confident87 Ų8760.9 Ų60.961%0.60831%0.307SS*.THydrogen-bonded Turntrans57.220.5-169.6-56.60000113.5N71N71-S75 VanDerWaalsContact O-CA 3.32Å; N71-S75 WeakPolarHBondContact O-CA 3.27Å; N71-S75 PolarHBondContact O-N 3.44Å
76E76Confident81.4Confident125 Ų12560.8 Ų60.858%0.58431%0.306SS*.EExtended strand (participates in β ladder)trans-90.2138177.1-65.6167.2151.100110.2N71 T74N71-E76 PolarHBondContact N-O 3.43Å; T74-E76 WeakPolarHBondContact CB-OE2 3.41Å; T74-E76 PolarHBondContact O-N 3.32Å; T74-E76 WeakPolarHBondContact OG1-CB 3.35Å; T74-E76 WeakPolarHBondContact OG1-CG 3.39Å; T74-E76 PolarHBondContact OG1-N 3.3Å; T74-E76 PolarHBondContact OG1-OE2 3.08Å
77T72.4Confident82Confident79 Ų7959.2 Ų59.249%0.48530%0.296SS..EExtended strand (participates in β ladder)trans-98.6136.5168.8-50.30000108.4I68 M69I68-T77 HydrophobicContact CG2-CG2 3.32Å; M69-T77 WeakPolarHBondContact O-CA 3.46Å
78H77.3Confident82.7Confident83 Ų8358.6 Ų58.638%0.38429%0.292SS..EExtended strand (participates in β ladder)trans-132.7147.4168.761.8-65.7000108.8M69M69-H78 WeakPolarHBondContact CB-CE1 3.45Å; M69-H78 WeakPolarHBondContact CE-CD2 3.26Å; M69-H78 WeakPolarHBondContact CE-NE2 3.33Å; M69-H78 PolarHBondContact N-O 3.02Å; M69-H78 PolarHBondContact O-N 3.27Å; M69-H78 PolarHBondContact O-ND1 2.96Å; M69-H78 VanDerWaalsContact O-ND1 3.16Å
79A80.9Confident83.4Confident6 Ų655.7 Ų55.75%0.0528%0.28CS..EExtended strand (participates in β ladder)trans-119.914917200000111.5T66 C67 I68 L147 Q152 L155T66-A79 HydrophobicContact CG2-CB 4.41Å; C67-A79 VanDerWaalsContact O-CA 3.24Å; C67-A79 WeakPolarHBondContact O-CA 3.46Å; I68-A79 HydrophobicContact CG1-CB 4.19Å; A79-L147 HydrophobicContact CB-CD1 3.85Å; A79-L147 WeakPolarHBondContact O-CB 3.43Å; A79-L147 PolarHBondContact O-N 3.33Å; A79-Q152 HydrophobicContact CB-CG 3.79Å; A79-L155 HydrophobicContact CB-CD1 3.4Å
80E85Confident84Confident21 Ų2163.9 Ų63.910%0.09832%0.315CS..EExtended strand (participates in β ladder)trans-140.4147.4175.572.8-170.6-17000109.7C67 M69 R82 I144 I145C67-E80 HydrophobicContact CB-CG 4.26Å; C67-E80 PolarHBondContact N-O 3.08Å; C67-E80 PolarHBondContact O-N 3.41Å; M69-E80 HydrophobicContact CE-CB 4.37Å; M69-E80 HydrophobicContact CE-CG 3.62Å; M69-E80 WeakPolarHBondContact CE-OE1 3.5Å; M69-E80 VanDerWaalsContact CE-OE2 3.29Å; M69-E80 WeakPolarHBondContact CE-OE2 3.28Å; E80-R82 HydrophobicContact CG-CG 4.29Å; E80-R82 IonicContact OE1-CZ 2.66Å; E80-R82 IonicContact OE1-NE 2.74Å; E80-R82 PolarHBondContact OE1-NE 3.41Å; E80-R82 IonicContact OE1-NH2 3.11Å; E80-R82 PolarHBondContact OE1-NH2 2.58Å; E80-I144 HydrophobicContact CB-CG2 4.36Å; E80-I144 VanDerWaalsContact CD-CG2 3.44Å; E80-I144 HydrophobicContact CG-CG2 4.18Å; E80-I144 WeakPolarHBondContact OE2-CG2 3.49Å; E80-I145 CarbonylContact C-O 3.57Å; E80-I145 WeakPolarHBondContact CA-O 3.4Å
81N86.6Confident84.7Confident22 Ų2262.9 Ų62.912%0.11832%0.322CS..EExtended strand (participates in β ladder)trans-86.4130.8168.8-81.1-15.5000109.6Q64 T66 I145 L147Q64-N81 HydrophobicContact CG-CB 4.35Å; Q64-N81 VanDerWaalsContact NE2-CB 3.33Å; Q64-N81 VanDerWaalsContact NE2-CG 3.28Å; Q64-N81 PolarHBondContact NE2-ND2 3.07Å; T66-N81 PolarHBondContact OG1-OD1 3.38Å; N81-I145 HydrophobicContact CB-CB 4.11Å; N81-I145 PolarHBondContact N-O 2.94Å; N81-I145 PolarHBondContact O-N 3.42Å; N81-L147 VanDerWaalsContact ND2-CD2 3.34Å; N81-L147 WeakPolarHBondContact ND2-CD2 3.26Å
82R89.5Confident85.3Confident9 Ų960 Ų603%0.03431%0.307CS..EExtended strand (participates in β ladder)trans-111.4116.9173.7-69.7-172.1-178.5168.18.1109.1Q64 F65 E80 F121 L142 D143 I144Q64-R82 VanDerWaalsContact CA-O 3.3Å; Q64-R82 WeakPolarHBondContact CA-O 3.49Å; F65-R82 HydrophobicContact CD1-CB 4.22Å; F65-R82 WeakPolarHBondContact CD1-O 3.46Å; F65-R82 HydrophobicContact CE1-CB 3.69Å; F65-R82 HydrophobicContact CE2-CB 4.11Å; F65-R82 HydrophobicContact CZ-CB 3.63Å; F65-R82 HydrophobicContact CZ-CG 4.38Å; F65-R82 PolarHBondContact N-O 2.65Å; F65-R82 PolarHBondContact O-N 2.7Å; E80-R82 HydrophobicContact CG-CG 4.29Å; E80-R82 IonicContact OE1-CZ 2.66Å; E80-R82 IonicContact OE1-NE 2.74Å; E80-R82 PolarHBondContact OE1-NE 3.41Å; E80-R82 IonicContact OE1-NH2 3.11Å; E80-R82 PolarHBondContact OE1-NH2 2.58Å; R82-F121 VanDerWaalsContact NH1-CG 3.25Å; R82-L142 HydrophobicContact CB-CD1 3.96Å; R82-L142 HydrophobicContact CG-CD1 4.32Å; R82-D143 CarbonylContact C-O 3.58Å; R82-D143 VanDerWaalsContact CA-O 3.32Å; R82-D143 WeakPolarHBondContact CA-O 3.44Å; R82-I144 HydrophobicContact CG-CG1 4.4Å
83C91.5Very high86.1Confident7 Ų759.8 Ų59.85%0.04730%0.302CS..EExtended strand (participates in β ladder)trans-107.4117.9174.8-1780000109.8L63 Q64 L142 D143L63-C83 CarbonylContact O-C 3.55Å; L63-C83 WeakPolarHBondContact O-CA 3.17Å; Q64-C83 HydrophobicContact CB-CB 4.02Å; Q64-C83 HydrophobicContact CG-CB 4.14Å; C83-L142 CarbonylContact O-C 3.56Å; C83-L142 WeakPolarHBondContact O-CA 3.3Å; C83-D143 HydrophobicContact CB-CB 4.14Å; C83-D143 PolarHBondContact N-O 3.49Å; C83-D143 PolarHBondContact O-N 3.16Å
84L93.5Very high86.3Confident0 Ų053.1 Ų53.10%028%0.281CS..EExtended strand (participates in β ladder)trans-92.5123.8172.4-69.7166.8000108.8Q62 L63 F65 F86 F105 L108 V140 D141 L142Q62-L84 CarbonylContact C-O 3.17Å; Q62-L84 WeakPolarHBondContact CA-O 3.38Å; L63-L84 PolarHBondContact N-O 3.25Å; L63-L84 PolarHBondContact O-N 3.36Å; F65-L84 HydrophobicContact CE1-CD1 3.89Å; F65-L84 HydrophobicContact CE1-CG 4.19Å; L84-F86 HydrophobicContact CB-CE2 3.68Å; L84-F86 HydrophobicContact CB-CZ 3.64Å; L84-F86 HydrophobicContact CD1-CZ 4.13Å; L84-F86 HydrophobicContact CG-CZ 4.42Å; L84-F105 HydrophobicContact CD1-CD2 3.63Å; L84-F105 HydrophobicContact CD1-CE2 4.11Å; L84-L108 HydrophobicContact CD1-CD2 3.8Å; L84-L108 HydrophobicContact CD2-CD2 4.34Å; L84-V140 HydrophobicContact CD2-CG1 3.91Å; L84-D141 WeakPolarHBondContact CA-O 3.4Å; L84-L142 HydrophobicContact CD2-CB 4.36Å; L84-L142 HydrophobicContact CD2-CD1 3.82Å; L84-L142 HydrophobicContact CG-CD1 4.33Å
85K93.8Very high86.2Confident33 Ų3354.9 Ų54.914%0.14328%0.283CS..EExtended strand (participates in β ladder)trans-116.5129177.4-70.6173178171.90108.7P59 Q62 W87 V140 D141 D143P59-K85 HydrophobicContact CB-CB 3.88Å; P59-K85 HydrophobicContact CB-CG 4.18Å; P59-K85 HydrophobicContact CG-CB 4.45Å; P59-K85 HydrophobicContact CG-CD 4.33Å; P59-K85 HydrophobicContact CG-CG 4.22Å; Q62-K85 HydrophobicContact CB-CG 4.06Å; K85-W87 HydrophobicContact CB-CH2 3.47Å; K85-W87 VanDerWaalsContact CB-CH2 3.47Å; K85-W87 HydrophobicContact CB-CZ2 4.42Å; K85-W87 HydrophobicContact CB-CZ3 3.52Å; K85-W87 HydrophobicContact CD-CH2 4.23Å; K85-W87 HydrophobicContact CG-CH2 4.45Å; K85-W87 WeakPolarHBondContact O-CZ3 3.5Å; K85-V140 CarbonylContact O-C 3.58Å; K85-V140 WeakPolarHBondContact O-CA 3.44Å; K85-D141 HydrophobicContact CB-CB 4.25Å; K85-D141 PolarHBondContact N-O 3.04Å; K85-D141 PolarHBondContact O-N 2.93Å; K85-D143 VanDerWaalsContact CE-OD2 3.24Å; K85-D143 WeakPolarHBondContact CE-OD2 3.49Å; K85-D143 IonicContact NZ-OD2 3.59Å; K85-D143 PolarHBondContact NZ-OD2 3.45Å
86F95Very high86.8Confident0 Ų052.4 Ų52.40%026%0.263CS..EExtended strand (participates in β ladder)trans-116.5138.6-172-55-91000110.6E60 M61 L84 F88 F104 L137 V140 Y353E60-F86 PolarHBondContact N-O 3.06Å; M61-F86 HydrophobicContact CB-CB 4.12Å; M61-F86 HydrophobicContact CB-CD2 4.02Å; M61-F86 HydrophobicContact CB-CG 4.46Å; M61-F86 PolarHBondContact N-O 3.23Å; M61-F86 PolarHBondContact O-N 3.29Å; L84-F86 HydrophobicContact CB-CE2 3.68Å; L84-F86 HydrophobicContact CB-CZ 3.64Å; L84-F86 HydrophobicContact CD1-CZ 4.13Å; L84-F86 HydrophobicContact CG-CZ 4.42Å; F86-F88 HydrophobicContact CB-CE2 3.72Å; F86-F88 HydrophobicContact CB-CZ 4.12Å; F86-F104 HydrophobicContact CE1-CB 4.5Å; F86-F104 AromaticContact CE1-CD1 3.7Å; F86-F104 HydrophobicContact CE1-CD1 3.7Å; F86-F104 HydrophobicContact CE1-CE1 4.2Å; F86-F104 HydrophobicContact CE1-CG 4.23Å; F86-F104 HydrophobicContact CZ-CD1 4.32Å; F86-L137 HydrophobicContact CB-CD1 3.92Å; F86-L137 HydrophobicContact CD1-CD1 3.74Å; F86-L137 HydrophobicContact CD1-CD2 4.24Å; F86-L137 HydrophobicContact CG-CD1 4.32Å; F86-V140 HydrophobicContact CD1-CG1 4.43Å; F86-V140 HydrophobicContact CD1-CG2 3.84Å; F86-V140 HydrophobicContact CE1-CG1 4.34Å; F86-V140 HydrophobicContact CE1-CG2 4.19Å; F86-Y353 HydrophobicContact CD2-CE1 4.43Å; F86-Y353 HydrophobicContact CE2-CE1 4.07Å
87W95Very high87.4Confident0 Ų049.6 Ų49.60%025%0.247CC..EExtended strand (participates in β ladder)trans-129.8141.2167-59.8-102.2000109.4D57 V58 P59 K85 R138 R139 D141D57-W87 VanDerWaalsContact O-CZ2 3.29Å; D57-W87 WeakPolarHBondContact O-CZ2 3.17Å; D57-W87 PolarHBondContact O-NE1 2.87Å; D57-W87 VanDerWaalsContact O-NE1 3.15Å; V58-W87 PolarHBondContact O-NE1 3.47Å; P59-W87 HydrophobicContact CB-CH2 4.12Å; P59-W87 HydrophobicContact CB-CZ2 3.73Å; P59-W87 HydrophobicContact CG-CZ2 4.42Å; K85-W87 HydrophobicContact CB-CH2 3.47Å; K85-W87 VanDerWaalsContact CB-CH2 3.47Å; K85-W87 HydrophobicContact CB-CZ2 4.42Å; K85-W87 HydrophobicContact CB-CZ3 3.52Å; K85-W87 HydrophobicContact CD-CH2 4.23Å; K85-W87 HydrophobicContact CG-CH2 4.45Å; K85-W87 WeakPolarHBondContact O-CZ3 3.5Å; W87-R138 HydrophobicContact CB-CG 3.94Å; W87-R138 VanDerWaalsContact CD1-NH2 3.26Å; W87-R138 VanDerWaalsContact O-CG 3.22Å; W87-R138 WeakPolarHBondContact O-CG 3.36Å; W87-R138 PolarHBondContact O-N 2.84Å; W87-R139 HydrophobicContact CB-CB 4.22Å; W87-R139 HydrophobicContact CD2-CG 4.35Å; W87-R139 HydrophobicContact CE3-CB 4.07Å; W87-R139 HydrophobicContact CE3-CG 3.65Å; W87-R139 HydrophobicContact CZ3-CG 4.09Å; W87-R139 PolarHBondContact N-O 2.92Å; W87-R139 PolarHBondContact O-N 3.44Å; W87-R139 VanDerWaalsContact O-N 3.14Å; W87-D141 HydrophobicContact CH2-CB 3.9Å; W87-D141 HydrophobicContact CZ3-CB 3.69Å
88F93.7Very high88Confident1 Ų147.1 Ų47.10%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-116.4168.1-174.4-62-93.7000111.3E60 M61 F86 A92 R97 E100 R136 L137 R138E60-F88 HydrophobicContact CB-CD2 4.28Å; E60-F88 WeakPolarHBondContact OE2-CA 3.25Å; E60-F88 VanDerWaalsContact OE2-CB 3.26Å; E60-F88 WeakPolarHBondContact OE2-CB 3.34Å; E60-F88 VanDerWaalsContact OE2-CD2 3.3Å; E60-F88 WeakPolarHBondContact OE2-CD2 3.42Å; E60-F88 PolarHBondContact OE2-N 3.03Å; M61-F88 HydrophobicContact CB-CE2 4.39Å; M61-F88 HydrophobicContact CG-CE2 3.96Å; F86-F88 HydrophobicContact CB-CE2 3.72Å; F86-F88 HydrophobicContact CB-CZ 4.12Å; F88-A92 HydrophobicContact CB-CB 3.81Å; F88-A92 HydrophobicContact CG-CB 4.48Å; F88-R97 HydrophobicContact CB-CG 3.98Å; F88-R97 HydrophobicContact CD1-CG 4.19Å; F88-R97 HydrophobicContact CD2-CB 3.76Å; F88-R97 HydrophobicContact CD2-CG 3.52Å; F88-R97 HydrophobicContact CE1-CB 4.44Å; F88-R97 HydrophobicContact CE2-CB 3.67Å; F88-R97 HydrophobicContact CE2-CG 4Å; F88-R97 HydrophobicContact CG-CB 4.19Å; F88-R97 HydrophobicContact CG-CG 3.63Å; F88-R97 HydrophobicContact CZ-CB 4.03Å; F88-R97 WeakPolarHBondContact CZ-O 3.46Å; F88-E100 HydrophobicContact CE1-CB 3.75Å; F88-E100 HydrophobicContact CZ-CB 4.4Å; F88-R136 CarbonylContact C-O 3.58Å; F88-R136 VanDerWaalsContact CA-O 3.26Å; F88-R136 WeakPolarHBondContact CA-O 3.39Å; F88-R136 HydrophobicContact CD1-CB 4.5Å; F88-L137 HydrophobicContact CD1-CB 4.43Å; F88-L137 HydrophobicContact CD1-CD1 3.89Å; F88-L137 HydrophobicContact CD2-CD1 4.48Å; F88-L137 HydrophobicContact CE1-CB 4.35Å; F88-L137 HydrophobicContact CE1-CD1 3.47Å; F88-L137 VanDerWaalsContact CE1-CD1 3.47Å; F88-L137 HydrophobicContact CE2-CD1 4.14Å; F88-L137 HydrophobicContact CG-CD1 4.38Å; F88-L137 HydrophobicContact CZ-CD1 3.62Å; F88-R138 WeakPolarHBondContact O-CD 3.44Å; F88-R138 WeakPolarHBondContact O-CG 3.48Å; F88-R138 PolarHBondContact O-NE 3.36Å
89S90.9Very high88.4Confident33 Ų3345.5 Ų45.523%0.23123%0.225CC..  trans-66.7152.2171.268.60000110.3S91 A92 R136S89-S91 PolarHBondContact O-N 2.81Å; S89-S91 PolarHBondContact OG-OG 3.2Å; S89-A92 WeakPolarHBondContact O-CB 3.35Å; S89-A92 PolarHBondContact O-N 3.29Å; S89-R136 PolarHBondContact N-O 2.91Å
90K86.6Confident88.9Confident212 Ų21245.9 Ų45.992%0.92223%0.225SC*.THydrogen-bonded Turntrans-59.1-19.9180-64.2-174.1177.5-1750113.9
91S87.6Confident89.1Confident95 Ų9544.9 Ų44.966%0.66422%0.221SC*.THydrogen-bonded Turntrans-82.9-16.1178.159.80000113.7S89 Q93S89-S91 PolarHBondContact O-N 2.81Å; S89-S91 PolarHBondContact OG-OG 3.2Å; S91-Q93 PolarHBondContact O-N 3.26Å
92A87.9Confident89.1Confident2 Ų245.8 Ų45.82%0.01722%0.223CC..  trans-72.2125.3-178.700000110.1F88 S89 R97 R136F88-A92 HydrophobicContact CB-CB 3.81Å; F88-A92 HydrophobicContact CG-CB 4.48Å; S89-A92 WeakPolarHBondContact O-CB 3.35Å; S89-A92 PolarHBondContact O-N 3.29Å; A92-R97 HydrophobicContact CB-CG 3.99Å; A92-R97 VanDerWaalsContact O-CZ 3.29Å; A92-R97 PolarHBondContact O-NE 3.26Å; A92-R97 PolarHBondContact O-NH2 2.58Å; A92-R136 HydrophobicContact CB-CB 4.28Å
93Q88.8Confident89Confident133 Ų13346.5 Ų46.562%0.62123%0.227SC*.  trans-79.3162.4174.1-59.3-171.1-12.300110.5S91 F95 D96 R97S91-Q93 PolarHBondContact O-N 3.26Å; Q93-F95 VanDerWaalsContact C-N 3.27Å; Q93-F95 PolarHBondContact O-N 2.87Å; Q93-D96 WeakPolarHBondContact CB-OD2 3.4Å; Q93-D96 PolarHBondContact N-OD2 3.41Å; Q93-D96 WeakPolarHBondContact O-CB 3.47Å; Q93-D96 PolarHBondContact O-N 3.03Å; Q93-R97 WeakPolarHBondContact O-CG 3.32Å; Q93-R97 PolarHBondContact O-N 2.97Å
94Q82.7Confident89Confident98 Ų9846.2 Ų46.246%0.45823%0.225SC..Hα-helixtrans-55.1-42.3-178.2-178.61760.100112.9M61 D96 R97 L98 E354M61-Q94 HydrophobicContact CE-CG 4.49Å; Q94-D96 VanDerWaalsContact C-N 3.34Å; Q94-D96 PolarHBondContact O-N 3.48Å; Q94-R97 WeakPolarHBondContact O-CB 3.36Å; Q94-R97 PolarHBondContact O-N 2.85Å; Q94-L98 HydrophobicContact CG-CD1 4.26Å; Q94-L98 WeakPolarHBondContact O-CG 3.45Å; Q94-L98 PolarHBondContact O-N 3.34Å; Q94-E354 PolarHBondContact NE2-OE2 3.48Å
95F81.4Confident88.8Confident107 Ų10746.2 Ų46.247%0.46923%0.225SC..Hα-helixtrans-60-44.1176.3-176.7-93.6000112Q93 R97 L98 D99 K535Q93-F95 VanDerWaalsContact C-N 3.27Å; Q93-F95 PolarHBondContact O-N 2.87Å; F95-R97 VanDerWaalsContact C-N 3.31Å; F95-R97 PolarHBondContact O-N 2.73Å; F95-L98 PolarHBondContact O-N 3.25Å; F95-D99 WeakPolarHBondContact O-CB 3.1Å; F95-D99 PolarHBondContact O-N 3.47Å; F95-K535 HydrophobicContact CE2-CG 4.3Å
96D85.9Confident88.4Confident35 Ų3549 Ų4919%0.18724%0.235CC..Hα-helixtrans-62-40176.5-60.3-51.5000112.1Q93 Q94 E100 R136Q93-D96 WeakPolarHBondContact CB-OD2 3.4Å; Q93-D96 PolarHBondContact N-OD2 3.41Å; Q93-D96 WeakPolarHBondContact O-CB 3.47Å; Q93-D96 PolarHBondContact O-N 3.03Å; Q94-D96 VanDerWaalsContact C-N 3.34Å; Q94-D96 PolarHBondContact O-N 3.48Å; D96-E100 WeakPolarHBondContact O-CB 3.48Å; D96-E100 WeakPolarHBondContact O-CG 3.36Å; D96-E100 PolarHBondContact O-N 2.71Å; D96-R136 IonicContact OD1-CZ 3.81Å; D96-R136 IonicContact OD1-NH1 2.82Å; D96-R136 PolarHBondContact OD1-NH1 3.03Å; D96-R136 IonicContact OD1-NH2 3.63Å; D96-R136 IonicContact OD2-NH1 3.96Å; D96-R136 PolarHBondContact OD2-NH1 3.42Å; D96-R136 VanDerWaalsContact OD2-NH1 3.15Å
97R90.1Very high88Confident65 Ų6552 Ų5225%0.24525%0.249CC..Hα-helixtrans-63.3-47.5179.3-63.9175.1-158.9176.50.2110.6M61 F88 A92 Q93 Q94 F95 S101M61-R97 HydrophobicContact CE-CB 3.76Å; M61-R97 HydrophobicContact CG-CB 4.28Å; F88-R97 HydrophobicContact CB-CG 3.98Å; F88-R97 HydrophobicContact CD1-CG 4.19Å; F88-R97 HydrophobicContact CD2-CB 3.76Å; F88-R97 HydrophobicContact CD2-CG 3.52Å; F88-R97 HydrophobicContact CE1-CB 4.44Å; F88-R97 HydrophobicContact CE2-CB 3.67Å; F88-R97 HydrophobicContact CE2-CG 4Å; F88-R97 HydrophobicContact CG-CB 4.19Å; F88-R97 HydrophobicContact CG-CG 3.63Å; F88-R97 HydrophobicContact CZ-CB 4.03Å; F88-R97 WeakPolarHBondContact CZ-O 3.46Å; A92-R97 HydrophobicContact CB-CG 3.99Å; A92-R97 VanDerWaalsContact O-CZ 3.29Å; A92-R97 PolarHBondContact O-NE 3.26Å; A92-R97 PolarHBondContact O-NH2 2.58Å; Q93-R97 WeakPolarHBondContact O-CG 3.32Å; Q93-R97 PolarHBondContact O-N 2.97Å; Q94-R97 WeakPolarHBondContact O-CB 3.36Å; Q94-R97 PolarHBondContact O-N 2.85Å; F95-R97 VanDerWaalsContact C-N 3.31Å; F95-R97 PolarHBondContact O-N 2.73Å; R97-S101 WeakPolarHBondContact O-CB 3.46Å; R97-S101 PolarHBondContact O-N 3.38Å; R97-S101 PolarHBondContact O-OG 2.84Å
98L84.8Confident87.7Confident28 Ų2852 Ų5215%0.14725%0.249CC..Hα-helixtrans-60.5-49.7177.2-72.5164.4000111.4M61 Q94 F95 S101 Y102 Y353 E354M61-L98 HydrophobicContact CE-CD2 3.68Å; M61-L98 HydrophobicContact CE-CG 3.66Å; M61-L98 HydrophobicContact SD-CD2 3.61Å; M61-L98 HydrophobicContact SD-CG 4.23Å; Q94-L98 HydrophobicContact CG-CD1 4.26Å; Q94-L98 WeakPolarHBondContact O-CG 3.45Å; Q94-L98 PolarHBondContact O-N 3.34Å; F95-L98 PolarHBondContact O-N 3.25Å; L98-S101 PolarHBondContact O-N 3.01Å; L98-S101 PolarHBondContact O-OG 3.02Å; L98-Y102 WeakPolarHBondContact O-CB 3.32Å; L98-Y102 PolarHBondContact O-N 2.9Å; L98-Y353 HydrophobicContact CD2-CD2 4.49Å; L98-Y353 HydrophobicContact CD2-CG 4.36Å; L98-E354 HydrophobicContact CD1-CG 4.39Å; L98-E354 WeakPolarHBondContact CD1-OE2 3.05Å; L98-E354 HydrophobicContact CD2-CG 3.73Å
99D84.8Confident87.2Confident49 Ų4952 Ų5226%0.26225%0.249SC..Hα-helixtrans-58.9-52.8-179.4-171.150000111.4F95 S101 Y102 D103 K535F95-D99 WeakPolarHBondContact O-CB 3.1Å; F95-D99 PolarHBondContact O-N 3.47Å; D99-S101 PolarHBondContact O-N 2.81Å; D99-Y102 PolarHBondContact O-N 2.82Å; D99-D103 WeakPolarHBondContact O-CB 3.5Å; D99-D103 PolarHBondContact O-N 3.44Å; D99-K535 IonicContact OD1-NZ 3.89Å; D99-K535 PolarHBondContact OD1-NZ 3.27Å
100E91Very high86.7Confident13 Ų1352.6 Ų52.66%0.06125%0.25CC..Hα-helixtrans-67.3-37.6-179.8-76.6-167.7-170.300113.1F88 D96 Y102 F104 Y134 R136F88-E100 HydrophobicContact CE1-CB 3.75Å; F88-E100 HydrophobicContact CZ-CB 4.4Å; D96-E100 WeakPolarHBondContact O-CB 3.48Å; D96-E100 WeakPolarHBondContact O-CG 3.36Å; D96-E100 PolarHBondContact O-N 2.71Å; E100-Y102 VanDerWaalsContact C-N 3.33Å; E100-F104 WeakPolarHBondContact O-CB 3.44Å; E100-F104 PolarHBondContact O-N 2.89Å; E100-Y134 HydrophobicContact CB-CD1 4.35Å; E100-Y134 HydrophobicContact CG-CD1 4.35Å; E100-R136 IonicContact OE1-CZ 3.42Å; E100-R136 IonicContact OE1-NE 2.92Å; E100-R136 PolarHBondContact OE1-NE 3.43Å; E100-R136 IonicContact OE1-NH2 3.91Å; E100-R136 PolarHBondContact OE1-NH2 3.07Å; E100-R136 WeakPolarHBondContact OE2-CB 3.22Å
101S89.8Confident86Confident0 Ų044.6 Ų44.60%022%0.219CC..Hα-helixtrans-64.4-40.7176.154.80000111.8R97 L98 D99 F105 Y353R97-S101 WeakPolarHBondContact O-CB 3.46Å; R97-S101 PolarHBondContact O-N 3.38Å; R97-S101 PolarHBondContact O-OG 2.84Å; L98-S101 PolarHBondContact O-N 3.01Å; L98-S101 PolarHBondContact O-OG 3.02Å; D99-S101 PolarHBondContact O-N 2.81Å; S101-F105 WeakPolarHBondContact O-CB 3.33Å; S101-F105 PolarHBondContact O-N 2.89Å; S101-Y353 PolarHBondContact O-OH 3.44Å
102Y86.1Confident85.3Confident41 Ų4147.6 Ų47.616%0.16123%0.228CC..Hα-helixtrans-67.4-47.5178.4-171.9-94.6000111.1L98 D99 E100 F104 F105 R106 Y353 L482L98-Y102 WeakPolarHBondContact O-CB 3.32Å; L98-Y102 PolarHBondContact O-N 2.9Å; D99-Y102 PolarHBondContact O-N 2.82Å; E100-Y102 VanDerWaalsContact C-N 3.33Å; Y102-F104 PolarHBondContact O-N 3.44Å; Y102-F105 PolarHBondContact O-N 2.91Å; Y102-R106 WeakPolarHBondContact O-CB 3.45Å; Y102-R106 PolarHBondContact O-N 2.65Å; Y102-Y353 HydrophobicContact CD2-CE2 4.21Å; Y102-L482 HydrophobicContact CE2-CD1 4.34Å; Y102-L482 HydrophobicContact CE2-CD2 4.19Å
103D87.6Confident85Confident25 Ų2550 Ų5013%0.13425%0.248CC..Hα-helixtrans-61.3-44.3177.8-9612.9000112.4D99 F105 R106 E107 R133 Y134D99-D103 WeakPolarHBondContact O-CB 3.5Å; D99-D103 PolarHBondContact O-N 3.44Å; D103-F105 VanDerWaalsContact C-N 3.34Å; D103-F105 PolarHBondContact O-N 3.16Å; D103-R106 PolarHBondContact O-N 2.93Å; D103-R106 IonicContact OD1-CZ 3.64Å; D103-R106 IonicContact OD1-NE 2.81Å; D103-R106 IonicContact OD1-NH2 2.71Å; D103-R106 PolarHBondContact OD1-NH2 3.01Å; D103-R106 IonicContact OD2-NH2 2.68Å; D103-E107 WeakPolarHBondContact O-CB 3.26Å; D103-E107 PolarHBondContact O-N 3.35Å; D103-R133 IonicContact OD2-CZ 2.8Å; D103-R133 IonicContact OD2-NH2 3.51Å; D103-R133 PolarHBondContact OD2-NH2 3.46Å; D103-Y134 HydrophobicContact CB-CE1 3.86Å; D103-Y134 PolarHBondContact O-OH 2.98Å
104F92.7Very high84.5Confident0 Ų046.9 Ų46.90%023%0.232CC..Hα-helixtrans-59.4-47.6176.3-175.3-81.7000110.9F86 E100 Y102 E107 L108 V125 L128 M129 Y134 L137 V140F86-F104 HydrophobicContact CE1-CB 4.5Å; F86-F104 AromaticContact CE1-CD1 3.7Å; F86-F104 HydrophobicContact CE1-CD1 3.7Å; F86-F104 HydrophobicContact CE1-CE1 4.2Å; F86-F104 HydrophobicContact CE1-CG 4.23Å; F86-F104 HydrophobicContact CZ-CD1 4.32Å; E100-F104 WeakPolarHBondContact O-CB 3.44Å; E100-F104 PolarHBondContact O-N 2.89Å; Y102-F104 PolarHBondContact O-N 3.44Å; F104-E107 PolarHBondContact O-N 3.4Å; F104-L108 HydrophobicContact CE1-CD2 4.09Å; F104-L108 WeakPolarHBondContact O-CB 3.41Å; F104-L108 PolarHBondContact O-N 2.88Å; F104-V125 HydrophobicContact CE1-CG1 4.49Å; F104-V125 HydrophobicContact CZ-CG1 4.03Å; F104-L128 HydrophobicContact CD2-CB 4.04Å; F104-L128 HydrophobicContact CD2-CD1 4.38Å; F104-L128 HydrophobicContact CE1-CD1 4.37Å; F104-L128 HydrophobicContact CE2-CB 3.41Å; F104-L128 VanDerWaalsContact CE2-CB 3.41Å; F104-L128 HydrophobicContact CE2-CD1 4.14Å; F104-L128 HydrophobicContact CE2-CG 4.41Å; F104-L128 HydrophobicContact CZ-CB 3.9Å; F104-L128 HydrophobicContact CZ-CD1 4.12Å; F104-M129 HydrophobicContact CE2-CG 4.09Å; F104-M129 HydrophobicContact CE2-SD 4.29Å; F104-M129 HydrophobicContact CZ-CG 4.17Å; F104-Y134 HydrophobicContact CB-CD1 4.35Å; F104-Y134 HydrophobicContact CB-CE1 4.13Å; F104-Y134 HydrophobicContact CD2-CD1 4.45Å; F104-Y134 AromaticContact CD2-CD2 3.7Å; F104-Y134 HydrophobicContact CD2-CD2 3.7Å; F104-Y134 HydrophobicContact CD2-CE2 4Å; F104-Y134 AromaticContact CD2-CG 3.95Å; F104-Y134 HydrophobicContact CD2-CG 3.95Å; F104-Y134 HydrophobicContact CE2-CD2 4.35Å; F104-L137 HydrophobicContact CD2-CD2 3.61Å; F104-L137 HydrophobicContact CE2-CD2 3.77Å; F104-L137 HydrophobicContact CG-CD2 4.15Å; F104-L137 HydrophobicContact CZ-CD2 4.43Å; F104-V140 HydrophobicContact CZ-CG2 4.35Å
105F89.2Confident84.4Confident1 Ų143.2 Ų43.20%0.00422%0.217CC..Hα-helixtrans-62.7-49.5178.8-179.9-118.8000111.5L63 F65 L84 S101 Y102 D103 E107 L108 I109 L482 I484 I492L63-F105 HydrophobicContact CD2-CD1 3.44Å; L63-F105 VanDerWaalsContact CD2-CD1 3.44Å; L63-F105 HydrophobicContact CD2-CD2 3.52Å; L63-F105 HydrophobicContact CD2-CE1 3.21Å; L63-F105 HydrophobicContact CD2-CE2 3.33Å; L63-F105 HydrophobicContact CD2-CG 3.56Å; L63-F105 HydrophobicContact CD2-CZ 3.15Å; F65-F105 HydrophobicContact CB-CZ 4.4Å; F65-F105 AromaticContact CD1-CE2 3.6Å; F65-F105 HydrophobicContact CD1-CE2 3.6Å; F65-F105 HydrophobicContact CD1-CZ 4.03Å; F65-F105 AromaticContact CE1-CE2 3.72Å; F65-F105 HydrophobicContact CE1-CE2 3.72Å; F65-F105 HydrophobicContact CG-CE2 4.13Å; F65-F105 HydrophobicContact CG-CZ 4.18Å; F65-F105 HydrophobicContact CZ-CE2 4.3Å; L84-F105 HydrophobicContact CD1-CD2 3.63Å; L84-F105 HydrophobicContact CD1-CE2 4.11Å; S101-F105 WeakPolarHBondContact O-CB 3.33Å; S101-F105 PolarHBondContact O-N 2.89Å; Y102-F105 PolarHBondContact O-N 2.91Å; D103-F105 VanDerWaalsContact C-N 3.34Å; D103-F105 PolarHBondContact O-N 3.16Å; F105-E107 VanDerWaalsContact C-N 3.34Å; F105-E107 PolarHBondContact O-N 2.96Å; F105-L108 WeakPolarHBondContact O-CB 3.39Å; F105-L108 PolarHBondContact O-N 3.38Å; F105-L108 VanDerWaalsContact O-N 3.1Å; F105-I109 HydrophobicContact CD1-CD1 3.86Å; F105-I109 HydrophobicContact CD2-CD1 4.13Å; F105-I109 HydrophobicContact CD2-CG2 4.2Å; F105-I109 HydrophobicContact CE1-CD1 3.26Å; F105-I109 HydrophobicContact CE1-CG1 4.42Å; F105-I109 HydrophobicContact CE2-CD1 3.55Å; F105-I109 HydrophobicContact CE2-CG1 4.43Å; F105-I109 HydrophobicContact CE2-CG2 3.84Å; F105-I109 HydrophobicContact CG-CD1 4.28Å; F105-I109 HydrophobicContact CZ-CD1 3.09Å; F105-I109 HydrophobicContact CZ-CG1 4.33Å; F105-I109 HydrophobicContact CZ-CG2 4.42Å; F105-I109 WeakPolarHBondContact O-CG1 3.32Å; F105-I109 PolarHBondContact O-N 3.28Å; F105-L482 HydrophobicContact CD1-CD2 4.23Å; F105-L482 HydrophobicContact CE1-CD2 3.85Å; F105-I484 HydrophobicContact CD1-CD1 4.5Å; F105-I484 HydrophobicContact CE1-CD1 4.11Å; F105-I492 HydrophobicContact CE1-CD1 4.03Å; F105-I492 HydrophobicContact CZ-CD1 4.43Å
106R83.9Confident84.2Confident90 Ų9050.1 Ų50.134%0.3424%0.24SC..Hα-helixtrans-54.3-47.9176.7173.2172.768.5168.21.4111.9Y102 D103 I109 D110 I484Y102-R106 WeakPolarHBondContact O-CB 3.45Å; Y102-R106 PolarHBondContact O-N 2.65Å; D103-R106 PolarHBondContact O-N 2.93Å; D103-R106 IonicContact OD1-CZ 3.64Å; D103-R106 IonicContact OD1-NE 2.81Å; D103-R106 IonicContact OD1-NH2 2.71Å; D103-R106 PolarHBondContact OD1-NH2 3.01Å; D103-R106 IonicContact OD2-NH2 2.68Å; R106-I109 PolarHBondContact O-N 3.33Å; R106-D110 PolarHBondContact O-N 3.17Å; R106-I484 HydrophobicContact CB-CG2 4.27Å; R106-I484 HydrophobicContact CG-CG2 3.67Å
107E88.4Confident83.9Confident64 Ų6453.1 Ų53.130%0.29926%0.256SS..Hα-helixtrans-67.2-38178.3-168.6175.8163.600111.5D103 F104 F105 I109 K124 L128 R133 Y134D103-E107 WeakPolarHBondContact O-CB 3.26Å; D103-E107 PolarHBondContact O-N 3.35Å; F104-E107 PolarHBondContact O-N 3.4Å; F105-E107 VanDerWaalsContact C-N 3.34Å; F105-E107 PolarHBondContact O-N 2.96Å; E107-I109 VanDerWaalsContact C-N 3.31Å; E107-I109 PolarHBondContact O-N 3.3Å; E107-K124 WeakPolarHBondContact O-CE 3.38Å; E107-K124 PolarHBondContact O-NZ 3.12Å; E107-L128 HydrophobicContact CB-CD1 4.49Å; E107-L128 HydrophobicContact CB-CD2 4.35Å; E107-L128 HydrophobicContact CG-CD2 3.7Å; E107-L128 WeakPolarHBondContact OE1-CD2 3.26Å; E107-R133 IonicContact OE2-CZ 3.3Å; E107-R133 IonicContact OE2-NE 2.86Å; E107-R133 IonicContact OE2-NH1 2.82Å; E107-R133 PolarHBondContact OE2-NH1 3.04Å; E107-Y134 PolarHBondContact OE2-OH 3.12Å
108L88.7Confident83.5Confident0 Ų053.4 Ų53.40%026%0.257CS..Hα-helixtrans-61.2-40.8177.6178.859.4000111.7L84 F104 F105 F121 K124 V125 L128L84-L108 HydrophobicContact CD1-CD2 3.8Å; L84-L108 HydrophobicContact CD2-CD2 4.34Å; F104-L108 HydrophobicContact CE1-CD2 4.09Å; F104-L108 WeakPolarHBondContact O-CB 3.41Å; F104-L108 PolarHBondContact O-N 2.88Å; F105-L108 WeakPolarHBondContact O-CB 3.39Å; F105-L108 PolarHBondContact O-N 3.38Å; F105-L108 VanDerWaalsContact O-N 3.1Å; L108-F121 HydrophobicContact CD1-CD2 4.36Å; L108-F121 HydrophobicContact CD1-CE2 3.95Å; L108-F121 HydrophobicContact CD1-CZ 4.1Å; L108-F121 HydrophobicContact CD2-CE1 4.31Å; L108-F121 HydrophobicContact CD2-CE2 4.04Å; L108-F121 HydrophobicContact CD2-CZ 3.57Å; L108-F121 HydrophobicContact CG-CE2 3.84Å; L108-F121 HydrophobicContact CG-CZ 3.9Å; L108-K124 HydrophobicContact CD1-CB 4.05Å; L108-K124 HydrophobicContact CD1-CD 4.21Å; L108-K124 HydrophobicContact CD1-CG 3.98Å; L108-K124 WeakPolarHBondContact O-CD 3.4Å; L108-K124 VanDerWaalsContact O-CE 3.25Å; L108-K124 WeakPolarHBondContact O-CE 3.39Å; L108-K124 PolarHBondContact O-NZ 3.05Å; L108-V125 HydrophobicContact CD1-CG2 3.52Å; L108-V125 HydrophobicContact CD2-CG2 3.88Å; L108-V125 HydrophobicContact CG-CG2 4.37Å; L108-L128 HydrophobicContact CB-CD1 3.88Å; L108-L128 HydrophobicContact CD1-CD1 4.24Å
109I82Confident83.6Confident0 Ų055.8 Ų55.80%027%0.273CS..THydrogen-bonded Turntrans-105.513.6-175.274.3-177.1000114.8F105 R106 E107 P111 F114 I484 F490F105-I109 HydrophobicContact CD1-CD1 3.86Å; F105-I109 HydrophobicContact CD2-CD1 4.13Å; F105-I109 HydrophobicContact CD2-CG2 4.2Å; F105-I109 HydrophobicContact CE1-CD1 3.26Å; F105-I109 HydrophobicContact CE1-CG1 4.42Å; F105-I109 HydrophobicContact CE2-CD1 3.55Å; F105-I109 HydrophobicContact CE2-CG1 4.43Å; F105-I109 HydrophobicContact CE2-CG2 3.84Å; F105-I109 HydrophobicContact CG-CD1 4.28Å; F105-I109 HydrophobicContact CZ-CD1 3.09Å; F105-I109 HydrophobicContact CZ-CG1 4.33Å; F105-I109 HydrophobicContact CZ-CG2 4.42Å; F105-I109 WeakPolarHBondContact O-CG1 3.32Å; F105-I109 PolarHBondContact O-N 3.28Å; R106-I109 PolarHBondContact O-N 3.33Å; E107-I109 VanDerWaalsContact C-N 3.31Å; E107-I109 PolarHBondContact O-N 3.3Å; I109-P111 WeakPolarHBondContact O-CD 3.46Å; I109-P111 VanDerWaalsContact O-N 3.1Å; I109-F114 HydrophobicContact CB-CD2 3.97Å; I109-F114 HydrophobicContact CB-CE2 3.76Å; I109-F114 HydrophobicContact CG2-CD2 4.43Å; I109-F114 HydrophobicContact CG2-CE2 3.8Å; I109-I484 HydrophobicContact CD1-CD1 2.97Å; I109-I484 HydrophobicContact CD1-CG1 4.46Å; I109-I484 HydrophobicContact CG1-CD1 3.44Å; I109-I484 VanDerWaalsContact CG1-CD1 3.44Å; I109-F490 HydrophobicContact CB-CE1 4.42Å; I109-F490 HydrophobicContact CB-CE2 4.39Å; I109-F490 HydrophobicContact CB-CZ 3.94Å; I109-F490 HydrophobicContact CD1-CD1 4.31Å; I109-F490 HydrophobicContact CD1-CD2 3.74Å; I109-F490 HydrophobicContact CD1-CE1 4.19Å; I109-F490 HydrophobicContact CD1-CE2 3.59Å; I109-F490 HydrophobicContact CD1-CG 4.09Å; I109-F490 HydrophobicContact CD1-CZ 3.83Å; I109-F490 HydrophobicContact CG1-CE2 3.92Å; I109-F490 HydrophobicContact CG1-CZ 3.99Å
110D81Confident83.7Confident47 Ų4754.3 Ų54.325%0.25127%0.27SS..  trans-44.5116.7171177.76.3000110.8R106 D112 A113 F114R106-D110 PolarHBondContact O-N 3.17Å; D110-D112 VanDerWaalsContact C-N 3.3Å; D110-D112 PolarHBondContact O-N 2.76Å; D110-D112 PolarHBondContact OD1-N 2.88Å; D110-A113 CarbonylContact O-C 3.36Å; D110-A113 PolarHBondContact O-N 2.84Å; D110-A113 VanDerWaalsContact O-N 3.13Å; D110-F114 VanDerWaalsContact O-CA 3.26Å; D110-F114 WeakPolarHBondContact O-CA 3.37Å; D110-F114 WeakPolarHBondContact O-CB 3.31Å; D110-F114 PolarHBondContact O-N 3.25Å
111P71.2Confident83.7Confident43 Ų4353.7 Ų53.728%0.27927%0.267SS..G310 helixtrans-56.7-40-175.5-24.633.7000113.6I109 A113 F114 N485 V488I109-P111 WeakPolarHBondContact O-CD 3.46Å; I109-P111 VanDerWaalsContact O-N 3.1Å; P111-A113 PolarHBondContact O-N 3.03Å; P111-F114 PolarHBondContact O-N 3.39Å; P111-N485 VanDerWaalsContact CD-ND2 3.35Å; P111-N485 WeakPolarHBondContact CD-ND2 3.25Å; P111-N485 HydrophobicContact CG-CB 4.49Å; P111-V488 HydrophobicContact CB-CG2 3.86Å; P111-V488 HydrophobicContact CG-CB 3.74Å; P111-V488 HydrophobicContact CG-CG1 3.8Å; P111-V488 HydrophobicContact CG-CG2 3.51Å
112D74.4Confident83.8Confident158 Ų15854.6 Ų54.685%0.84527%0.271SS*.G310 helixtrans-68.1-25.6-176.8-69.4-28.1000111.6D110D110-D112 VanDerWaalsContact C-N 3.3Å; D110-D112 PolarHBondContact O-N 2.76Å; D110-D112 PolarHBondContact OD1-N 2.88Å
113A80Confident84Confident53 Ų5359.1 Ų59.144%0.43829%0.292SS..G310 helixtrans-121.725.1179.100000112.2D110 P111 P115 K124D110-A113 CarbonylContact O-C 3.36Å; D110-A113 PolarHBondContact O-N 2.84Å; D110-A113 VanDerWaalsContact O-N 3.13Å; P111-A113 PolarHBondContact O-N 3.03Å; A113-P115 WeakPolarHBondContact O-CD 3.44Å; A113-K124 PolarHBondContact O-NZ 3.09Å
114F79.2Confident84.2Confident68 Ų6859.5 Ų59.530%0.29829%0.292SS..  trans-73.8124.4-174.9-169-97.9000109.9I109 D110 P111 R116I109-F114 HydrophobicContact CB-CD2 3.97Å; I109-F114 HydrophobicContact CB-CE2 3.76Å; I109-F114 HydrophobicContact CG2-CD2 4.43Å; I109-F114 HydrophobicContact CG2-CE2 3.8Å; D110-F114 VanDerWaalsContact O-CA 3.26Å; D110-F114 WeakPolarHBondContact O-CA 3.37Å; D110-F114 WeakPolarHBondContact O-CB 3.31Å; D110-F114 PolarHBondContact O-N 3.25Å; P111-F114 PolarHBondContact O-N 3.39Å; F114-R116 PolarHBondContact O-N 3.11Å
115P79.7Confident84.3Confident20 Ų2059.5 Ų59.513%0.1329%0.292CS..  trans-65.2126.4-178.8-25.138.1000112.4A113 D117 F121 K124A113-P115 WeakPolarHBondContact O-CD 3.44Å; P115-D117 VanDerWaalsContact C-N 3.29Å; P115-D117 PolarHBondContact O-N 2.97Å; P115-F121 HydrophobicContact CB-CB 4.12Å; P115-F121 HydrophobicContact CG-CB 4.47Å; P115-K124 HydrophobicContact CG-CB 3.88Å; P115-K124 HydrophobicContact CG-CD 3.56Å; P115-K124 HydrophobicContact CG-CG 4.36Å
116R77.5Confident84.4Confident253 Ų25360.1 Ų60.196%0.95530%0.296SS*.SBendtrans-79.2-10.7-176.6-62.4-174.6-176.4-177.80.5114.3F114F114-R116 PolarHBondContact O-N 3.11Å
117D80Confident84.8Confident97 Ų9762.6 Ų62.652%0.51931%0.309SS..SBendtrans-138.4164.5179.264.813.5000111.3P115 V119 G120 F121P115-D117 VanDerWaalsContact C-N 3.29Å; P115-D117 PolarHBondContact O-N 2.97Å; D117-V119 VanDerWaalsContact C-N 3.3Å; D117-V119 PolarHBondContact O-N 3.5Å; D117-G120 PolarHBondContact O-N 3.38Å; D117-G120 VanDerWaalsContact OD1-CA 3.26Å; D117-G120 WeakPolarHBondContact OD1-CA 3.44Å; D117-G120 PolarHBondContact OD1-N 3.41Å; D117-F121 PolarHBondContact O-N 2.84Å
118Y82.1Confident85Confident71 Ų7160.2 Ų60.228%0.27830%0.298SS..Hα-helixtrans-57.6-43179.9-176.4-96.3000112.2I19 F121 L122 I144I19-Y118 HydrophobicContact CD1-CE1 4.27Å; I19-Y118 WeakPolarHBondContact CD1-OH 3.31Å; Y118-F121 WeakPolarHBondContact O-CB 3.43Å; Y118-F121 PolarHBondContact O-N 2.87Å; Y118-L122 HydrophobicContact CD1-CD1 3.93Å; Y118-L122 HydrophobicContact CD1-CG 4.32Å; Y118-L122 HydrophobicContact CE1-CD1 3.42Å; Y118-L122 VanDerWaalsContact CE1-CD1 3.42Å; Y118-L122 HydrophobicContact CE1-CD2 4.48Å; Y118-L122 HydrophobicContact CE1-CG 4.07Å; Y118-L122 WeakPolarHBondContact O-CG 3.46Å; Y118-L122 PolarHBondContact O-N 3.07Å; Y118-I144 HydrophobicContact CE2-CD1 3.42Å; Y118-I144 VanDerWaalsContact CE2-CD1 3.42Å; Y118-I144 HydrophobicContact CE2-CG1 4.16Å; Y118-I144 WeakPolarHBondContact OH-CD1 3.39Å
119V85.5Confident85.2Confident78 Ų7860.2 Ų60.247%0.47330%0.298SS..Hα-helixtrans-65.6-42.8-178.71760000111.4D117 F121 L122 K123D117-V119 VanDerWaalsContact C-N 3.3Å; D117-V119 PolarHBondContact O-N 3.5Å; V119-F121 VanDerWaalsContact C-N 3.28Å; V119-F121 PolarHBondContact O-N 3.35Å; V119-L122 PolarHBondContact O-N 3.08Å; V119-K123 HydrophobicContact CG1-CD 4.15Å; V119-K123 WeakPolarHBondContact O-CB 3.49Å; V119-K123 VanDerWaalsContact O-CG 3.3Å; V119-K123 WeakPolarHBondContact O-CG 3.41Å; V119-K123 PolarHBondContact O-N 3.19Å
120G88.5Confident85.7Confident19 Ų1963.1 Ų63.120%0.19631%0.311CS..Hα-helixtrans-61.4-39174.600000111.6D117 K123 K124D117-G120 PolarHBondContact O-N 3.38Å; D117-G120 VanDerWaalsContact OD1-CA 3.26Å; D117-G120 WeakPolarHBondContact OD1-CA 3.44Å; D117-G120 PolarHBondContact OD1-N 3.41Å; G120-K123 PolarHBondContact O-N 2.79Å; G120-K124 WeakPolarHBondContact O-CB 3.4Å; G120-K124 PolarHBondContact O-N 2.84Å
121F89.4Confident86.1Confident0 Ų062.1 Ų62.10%031%0.313CS..Hα-helixtrans-60.6-52.2175.7-170.6-93.4000111.3F65 R82 L108 P115 D117 Y118 V119 K123 K124 V125 L142F65-F121 HydrophobicContact CZ-CE2 4.2Å; F65-F121 AromaticContact CZ-CZ 3.81Å; F65-F121 HydrophobicContact CZ-CZ 3.81Å; R82-F121 VanDerWaalsContact NH1-CG 3.25Å; L108-F121 HydrophobicContact CD1-CD2 4.36Å; L108-F121 HydrophobicContact CD1-CE2 3.95Å; L108-F121 HydrophobicContact CD1-CZ 4.1Å; L108-F121 HydrophobicContact CD2-CE1 4.31Å; L108-F121 HydrophobicContact CD2-CE2 4.04Å; L108-F121 HydrophobicContact CD2-CZ 3.57Å; L108-F121 HydrophobicContact CG-CE2 3.84Å; L108-F121 HydrophobicContact CG-CZ 3.9Å; P115-F121 HydrophobicContact CB-CB 4.12Å; P115-F121 HydrophobicContact CG-CB 4.47Å; D117-F121 PolarHBondContact O-N 2.84Å; Y118-F121 WeakPolarHBondContact O-CB 3.43Å; Y118-F121 PolarHBondContact O-N 2.87Å; V119-F121 VanDerWaalsContact C-N 3.28Å; V119-F121 PolarHBondContact O-N 3.35Å; F121-K123 VanDerWaalsContact C-N 3.32Å; F121-K123 PolarHBondContact O-N 3.31Å; F121-K124 WeakPolarHBondContact O-CB 3.38Å; F121-K124 PolarHBondContact O-N 3.03Å; F121-K124 VanDerWaalsContact O-N 3.08Å; F121-V125 HydrophobicContact CD1-CG2 4.2Å; F121-V125 HydrophobicContact CE1-CG2 3.93Å; F121-V125 HydrophobicContact CZ-CG2 4.46Å; F121-V125 WeakPolarHBondContact O-CG2 3.14Å; F121-V125 PolarHBondContact O-N 3.06Å; F121-L142 HydrophobicContact CD1-CD2 3.99Å; F121-L142 HydrophobicContact CE1-CD1 4.12Å; F121-L142 HydrophobicContact CE1-CD2 3.7Å
122L91.8Very high87Confident18 Ų1865 Ų659%0.09433%0.333CS..Hα-helixtrans-60.8-39.8177.3-58-177.8000112.6M8 I19 F21 Y118 V119 K124 V125 L126 L142M8-L122 HydrophobicContact SD-CB 4.43Å; M8-L122 HydrophobicContact SD-CD1 4.39Å; I19-L122 HydrophobicContact CD1-CD1 3.53Å; I19-L122 HydrophobicContact CD1-CD2 3.47Å; I19-L122 VanDerWaalsContact CD1-CD2 3.47Å; I19-L122 HydrophobicContact CD1-CG 4.14Å; I19-L122 HydrophobicContact CG2-CD2 4.42Å; F21-L122 HydrophobicContact CZ-CD2 3.86Å; Y118-L122 HydrophobicContact CD1-CD1 3.93Å; Y118-L122 HydrophobicContact CD1-CG 4.32Å; Y118-L122 HydrophobicContact CE1-CD1 3.42Å; Y118-L122 VanDerWaalsContact CE1-CD1 3.42Å; Y118-L122 HydrophobicContact CE1-CD2 4.48Å; Y118-L122 HydrophobicContact CE1-CG 4.07Å; Y118-L122 WeakPolarHBondContact O-CG 3.46Å; Y118-L122 PolarHBondContact O-N 3.07Å; V119-L122 PolarHBondContact O-N 3.08Å; L122-K124 VanDerWaalsContact C-N 3.31Å; L122-K124 PolarHBondContact O-N 2.98Å; L122-V125 PolarHBondContact O-N 3.36Å; L122-L126 WeakPolarHBondContact O-CB 3.49Å; L122-L126 PolarHBondContact O-N 3.46Å; L122-L142 HydrophobicContact CD2-CD2 3.7Å
123K90.8Very high87.7Confident137 Ų13763.7 Ų63.760%0.59632%0.317SS*.Hα-helixtrans-61.2-39.5175-77.5174.6178.3176.90111.8V119 G120 F121 L126 K127V119-K123 HydrophobicContact CG1-CD 4.15Å; V119-K123 WeakPolarHBondContact O-CB 3.49Å; V119-K123 VanDerWaalsContact O-CG 3.3Å; V119-K123 WeakPolarHBondContact O-CG 3.41Å; V119-K123 PolarHBondContact O-N 3.19Å; G120-K123 PolarHBondContact O-N 2.79Å; F121-K123 VanDerWaalsContact C-N 3.32Å; F121-K123 PolarHBondContact O-N 3.31Å; K123-L126 PolarHBondContact O-N 3.4Å; K123-K127 WeakPolarHBondContact O-CB 3.46Å; K123-K127 PolarHBondContact O-N 3.04Å
124K92.3Very high88.4Confident32 Ų3261.4 Ų61.414%0.13930%0.297CS..Hα-helixtrans-66.1-47.4177.6-165.9170.2179.7-171.10110.5E107 L108 A113 P115 G120 F121 L122 L126 K127 L128E107-K124 WeakPolarHBondContact O-CE 3.38Å; E107-K124 PolarHBondContact O-NZ 3.12Å; L108-K124 HydrophobicContact CD1-CB 4.05Å; L108-K124 HydrophobicContact CD1-CD 4.21Å; L108-K124 HydrophobicContact CD1-CG 3.98Å; L108-K124 WeakPolarHBondContact O-CD 3.4Å; L108-K124 VanDerWaalsContact O-CE 3.25Å; L108-K124 WeakPolarHBondContact O-CE 3.39Å; L108-K124 PolarHBondContact O-NZ 3.05Å; A113-K124 PolarHBondContact O-NZ 3.09Å; P115-K124 HydrophobicContact CG-CB 3.88Å; P115-K124 HydrophobicContact CG-CD 3.56Å; P115-K124 HydrophobicContact CG-CG 4.36Å; G120-K124 WeakPolarHBondContact O-CB 3.4Å; G120-K124 PolarHBondContact O-N 2.84Å; F121-K124 WeakPolarHBondContact O-CB 3.38Å; F121-K124 PolarHBondContact O-N 3.03Å; F121-K124 VanDerWaalsContact O-N 3.08Å; L122-K124 VanDerWaalsContact C-N 3.31Å; L122-K124 PolarHBondContact O-N 2.98Å; K124-L126 VanDerWaalsContact C-N 3.34Å; K124-L126 PolarHBondContact O-N 2.99Å; K124-K127 PolarHBondContact O-N 3.47Å; K124-K127 VanDerWaalsContact O-N 3.15Å; K124-L128 WeakPolarHBondContact O-CG 3.23Å; K124-L128 PolarHBondContact O-N 3.12Å
125V94.2Very high88.9Confident0 Ų063.7 Ų63.70%031%0.311CS..Hα-helixtrans-55.5-48.6173.8-178.50000111.3F21 F104 L108 F121 L122 K127 L128 M129F21-V125 HydrophobicContact CD1-CB 4.47Å; F21-V125 HydrophobicContact CD1-CG1 3.89Å; F21-V125 HydrophobicContact CD2-CG1 3.55Å; F21-V125 HydrophobicContact CE1-CB 4.04Å; F21-V125 HydrophobicContact CE1-CG1 3.86Å; F21-V125 HydrophobicContact CE2-CB 4.21Å; F21-V125 HydrophobicContact CE2-CG1 3.54Å; F21-V125 HydrophobicContact CG-CG1 3.72Å; F21-V125 HydrophobicContact CZ-CB 3.88Å; F21-V125 HydrophobicContact CZ-CG1 3.67Å; F21-V125 HydrophobicContact CZ-CG2 4.47Å; F104-V125 HydrophobicContact CE1-CG1 4.49Å; F104-V125 HydrophobicContact CZ-CG1 4.03Å; L108-V125 HydrophobicContact CD1-CG2 3.52Å; L108-V125 HydrophobicContact CD2-CG2 3.88Å; L108-V125 HydrophobicContact CG-CG2 4.37Å; F121-V125 HydrophobicContact CD1-CG2 4.2Å; F121-V125 HydrophobicContact CE1-CG2 3.93Å; F121-V125 HydrophobicContact CZ-CG2 4.46Å; F121-V125 WeakPolarHBondContact O-CG2 3.14Å; F121-V125 PolarHBondContact O-N 3.06Å; L122-V125 PolarHBondContact O-N 3.36Å; V125-K127 VanDerWaalsContact C-N 3.34Å; V125-K127 PolarHBondContact O-N 3.11Å; V125-L128 PolarHBondContact O-N 3.45Å; V125-M129 WeakPolarHBondContact O-CB 3.47Å; V125-M129 WeakPolarHBondContact O-CG 3.33Å; V125-M129 PolarHBondContact O-N 3.29Å
126L92.6Very high89.5Confident15 Ų1566.4 Ų66.48%0.07932%0.319CS..Hα-helixtrans-58.1-43.1176.6-92.5171.8000112.9V6 M8 F21 I43 L122 K123 K124 M129 H130V6-L126 HydrophobicContact CG1-CD2 3.87Å; M8-L126 HydrophobicContact CB-CD1 4.23Å; M8-L126 HydrophobicContact CB-CD2 4.03Å; M8-L126 HydrophobicContact CB-CG 4.4Å; M8-L126 HydrophobicContact SD-CD1 3.89Å; M8-L126 HydrophobicContact SD-CG 4.47Å; F21-L126 HydrophobicContact CD1-CD2 3.9Å; F21-L126 HydrophobicContact CD1-CG 3.82Å; F21-L126 HydrophobicContact CE1-CD2 4.39Å; F21-L126 HydrophobicContact CE1-CG 3.82Å; I43-L126 HydrophobicContact CG2-CD1 4.08Å; I43-L126 HydrophobicContact CG2-CD2 3.76Å; I43-L126 HydrophobicContact CG2-CG 4.44Å; L122-L126 WeakPolarHBondContact O-CB 3.49Å; L122-L126 PolarHBondContact O-N 3.46Å; K123-L126 PolarHBondContact O-N 3.4Å; K124-L126 VanDerWaalsContact C-N 3.34Å; K124-L126 PolarHBondContact O-N 2.99Å; L126-M129 PolarHBondContact O-N 2.94Å; L126-H130 VanDerWaalsContact O-CB 3.24Å; L126-H130 WeakPolarHBondContact O-CB 3.4Å; L126-H130 PolarHBondContact O-N 3.06Å
127K90.8Very high90.2Very high141 Ų14154.4 Ų54.461%0.61327%0.274SS*.Hα-helixtrans-66.9-42.3179.7-172.9-178177.4-171.90111.6K123 K124 V125 H130 G131K123-K127 WeakPolarHBondContact O-CB 3.46Å; K123-K127 PolarHBondContact O-N 3.04Å; K124-K127 PolarHBondContact O-N 3.47Å; K124-K127 VanDerWaalsContact O-N 3.15Å; V125-K127 VanDerWaalsContact C-N 3.34Å; V125-K127 PolarHBondContact O-N 3.11Å; K127-H130 PolarHBondContact O-N 3.41Å; K127-G131 PolarHBondContact O-N 2.95Å
128L93.6Very high90.9Very high14 Ų1453.8 Ų53.87%0.07326%0.264CS..Hα-helixtrans-63.6-44.9175.9-65.3177.6000111.2F104 E107 L108 K124 V125 H130 G131 Y134F104-L128 HydrophobicContact CD2-CB 4.04Å; F104-L128 HydrophobicContact CD2-CD1 4.38Å; F104-L128 HydrophobicContact CE1-CD1 4.37Å; F104-L128 HydrophobicContact CE2-CB 3.41Å; F104-L128 VanDerWaalsContact CE2-CB 3.41Å; F104-L128 HydrophobicContact CE2-CD1 4.14Å; F104-L128 HydrophobicContact CE2-CG 4.41Å; F104-L128 HydrophobicContact CZ-CB 3.9Å; F104-L128 HydrophobicContact CZ-CD1 4.12Å; E107-L128 HydrophobicContact CB-CD1 4.49Å; E107-L128 HydrophobicContact CB-CD2 4.35Å; E107-L128 HydrophobicContact CG-CD2 3.7Å; E107-L128 WeakPolarHBondContact OE1-CD2 3.26Å; L108-L128 HydrophobicContact CB-CD1 3.88Å; L108-L128 HydrophobicContact CD1-CD1 4.24Å; K124-L128 WeakPolarHBondContact O-CG 3.23Å; K124-L128 PolarHBondContact O-N 3.12Å; V125-L128 PolarHBondContact O-N 3.45Å; L128-H130 VanDerWaalsContact C-N 3.33Å; L128-H130 PolarHBondContact O-N 2.91Å; L128-G131 PolarHBondContact O-N 3.19Å; L128-Y134 HydrophobicContact CB-CD2 4.46Å; L128-Y134 HydrophobicContact CB-CE2 4.47Å; L128-Y134 HydrophobicContact CD2-CE2 4.23Å
129M93.7Very high91.4Very high0 Ų051.3 Ų51.30%025%0.254CS..Hα-helixtrans-65.5-31.3174.1-77.6-69-72.900113V6 F21 R23 F104 V125 L126 L137 V140V6-M129 HydrophobicContact CG1-CB 3.77Å; V6-M129 WeakPolarHBondContact CG2-O 3.43Å; F21-M129 HydrophobicContact CB-CE 4.31Å; F21-M129 HydrophobicContact CB-CG 4.14Å; F21-M129 WeakPolarHBondContact O-CE 3.48Å; R23-M129 HydrophobicContact CG-CE 4.24Å; R23-M129 PolarHBondContact NH1-O 3.32Å; R23-M129 PolarHBondContact NH2-O 3.16Å; F104-M129 HydrophobicContact CE2-CG 4.09Å; F104-M129 HydrophobicContact CE2-SD 4.29Å; F104-M129 HydrophobicContact CZ-CG 4.17Å; V125-M129 WeakPolarHBondContact O-CB 3.47Å; V125-M129 WeakPolarHBondContact O-CG 3.33Å; V125-M129 PolarHBondContact O-N 3.29Å; L126-M129 PolarHBondContact O-N 2.94Å; M129-L137 HydrophobicContact SD-CB 4.47Å; M129-L137 HydrophobicContact SD-CD2 3.59Å; M129-L137 VanDerWaalsContact SD-CD2 3.59Å; M129-L137 HydrophobicContact SD-CG 3.94Å; M129-V140 HydrophobicContact CE-CG2 4.4Å; M129-V140 HydrophobicContact CG-CG2 4.42Å; M129-V140 HydrophobicContact SD-CB 4.48Å; M129-V140 HydrophobicContact SD-CG2 3.68Å
130H91.9Very high91.9Very high61 Ų6147.6 Ų47.628%0.28223%0.232SC..Hα-helixtrans-78.1-30.8176.7-179.5-103.6000112.6V6 S41 I43 L126 K127 L128V6-H130 HydrophobicContact CG2-CB 4.24Å; S41-H130 PolarHBondContact O-NE2 2.81Å; I43-H130 HydrophobicContact CD1-CB 3.86Å; I43-H130 HydrophobicContact CG1-CB 3.95Å; L126-H130 VanDerWaalsContact O-CB 3.24Å; L126-H130 WeakPolarHBondContact O-CB 3.4Å; L126-H130 PolarHBondContact O-N 3.06Å; K127-H130 PolarHBondContact O-N 3.41Å; L128-H130 VanDerWaalsContact C-N 3.33Å; L128-H130 PolarHBondContact O-N 2.91Å
131G89.8Confident92.2Very high27 Ų2746.7 Ų46.728%0.27822%0.223SC..SBendtrans-59163.317800000114.3R23 K127 L128R23-G131 PolarHBondContact NH2-O 2.93Å; K127-G131 PolarHBondContact O-N 2.95Å; L128-G131 PolarHBondContact O-N 3.19Å
132S88.5Confident92.5Very high102 Ų10246.7 Ų46.771%0.71322%0.223SC*.SBendtrans-85.2-4.5-179.854.50000114.3L135S132-L135 WeakPolarHBondContact O-CG 3.49Å
133R90.9Very high92.5Very high132 Ų13246.1 Ų46.150%0.49822%0.219SC..SBendtrans-72.3-44-177.6-173.9174.3176.3-179.72.4112.4D103 E107D103-R133 IonicContact OD2-CZ 2.8Å; D103-R133 IonicContact OD2-NH2 3.51Å; D103-R133 PolarHBondContact OD2-NH2 3.46Å; E107-R133 IonicContact OE2-CZ 3.3Å; E107-R133 IonicContact OE2-NE 2.86Å; E107-R133 IonicContact OE2-NH1 2.82Å; E107-R133 PolarHBondContact OE2-NH1 3.04Å
134Y92.9Very high92.5Very high4 Ų439.9 Ų39.92%0.01619%0.193CC..  trans-109.658.2-174.5-49.6-72.5000111.2R23 E100 D103 F104 E107 L128 R136 L137R23-Y134 PolarHBondContact NH2-O 2.86Å; E100-Y134 HydrophobicContact CB-CD1 4.35Å; E100-Y134 HydrophobicContact CG-CD1 4.35Å; D103-Y134 HydrophobicContact CB-CE1 3.86Å; D103-Y134 PolarHBondContact O-OH 2.98Å; F104-Y134 HydrophobicContact CB-CD1 4.35Å; F104-Y134 HydrophobicContact CB-CE1 4.13Å; F104-Y134 HydrophobicContact CD2-CD1 4.45Å; F104-Y134 AromaticContact CD2-CD2 3.7Å; F104-Y134 HydrophobicContact CD2-CD2 3.7Å; F104-Y134 HydrophobicContact CD2-CE2 4Å; F104-Y134 AromaticContact CD2-CG 3.95Å; F104-Y134 HydrophobicContact CD2-CG 3.95Å; F104-Y134 HydrophobicContact CE2-CD2 4.35Å; E107-Y134 PolarHBondContact OE2-OH 3.12Å; L128-Y134 HydrophobicContact CB-CD2 4.46Å; L128-Y134 HydrophobicContact CB-CE2 4.47Å; L128-Y134 HydrophobicContact CD2-CE2 4.23Å; Y134-R136 VanDerWaalsContact C-N 3.34Å; Y134-L137 PolarHBondContact O-N 3.17Å
135L89.7Confident92.3Very high116 Ų11641 Ų4161%0.60720%0.2SC*.SBendtrans-74-25-177.3-72.6172.1000113.2S132 L137S132-L135 WeakPolarHBondContact O-CG 3.49Å; L135-L137 VanDerWaalsContact C-N 3.31Å
136R92.2Very high91.8Very high78 Ų7844.8 Ų44.829%0.29422%0.224SC..SBendtrans-74.4-25.1175.6-67.9-179.6-73.3-166.84.5111.5F88 S89 A92 D96 E100 Y134 R138F88-R136 CarbonylContact C-O 3.58Å; F88-R136 VanDerWaalsContact CA-O 3.26Å; F88-R136 WeakPolarHBondContact CA-O 3.39Å; F88-R136 HydrophobicContact CD1-CB 4.5Å; S89-R136 PolarHBondContact N-O 2.91Å; A92-R136 HydrophobicContact CB-CB 4.28Å; D96-R136 IonicContact OD1-CZ 3.81Å; D96-R136 IonicContact OD1-NH1 2.82Å; D96-R136 PolarHBondContact OD1-NH1 3.03Å; D96-R136 IonicContact OD1-NH2 3.63Å; D96-R136 IonicContact OD2-NH1 3.96Å; D96-R136 PolarHBondContact OD2-NH1 3.42Å; D96-R136 VanDerWaalsContact OD2-NH1 3.15Å; E100-R136 IonicContact OE1-CZ 3.42Å; E100-R136 IonicContact OE1-NE 2.92Å; E100-R136 PolarHBondContact OE1-NE 3.43Å; E100-R136 IonicContact OE1-NH2 3.91Å; E100-R136 PolarHBondContact OE1-NH2 3.07Å; E100-R136 WeakPolarHBondContact OE2-CB 3.22Å; Y134-R136 VanDerWaalsContact C-N 3.34Å; R136-R138 PolarHBondContact O-N 3.37Å; R136-R138 VanDerWaalsContact O-N 3.15Å
137L93.3Very high91.3Very high0 Ų044.8 Ų44.80%022%0.224CC..EExtended strand (participates in β ladder)trans-69.7106.3174.3-16467.3000110.7R23 F86 F88 F104 M129 Y134 L135 V140R23-L137 WeakPolarHBondContact CD-O 3.35Å; R23-L137 PolarHBondContact NE-O 3.41Å; F86-L137 HydrophobicContact CB-CD1 3.92Å; F86-L137 HydrophobicContact CD1-CD1 3.74Å; F86-L137 HydrophobicContact CD1-CD2 4.24Å; F86-L137 HydrophobicContact CG-CD1 4.32Å; F88-L137 HydrophobicContact CD1-CB 4.43Å; F88-L137 HydrophobicContact CD1-CD1 3.89Å; F88-L137 HydrophobicContact CD2-CD1 4.48Å; F88-L137 HydrophobicContact CE1-CB 4.35Å; F88-L137 HydrophobicContact CE1-CD1 3.47Å; F88-L137 VanDerWaalsContact CE1-CD1 3.47Å; F88-L137 HydrophobicContact CE2-CD1 4.14Å; F88-L137 HydrophobicContact CG-CD1 4.38Å; F88-L137 HydrophobicContact CZ-CD1 3.62Å; F104-L137 HydrophobicContact CD2-CD2 3.61Å; F104-L137 HydrophobicContact CE2-CD2 3.77Å; F104-L137 HydrophobicContact CG-CD2 4.15Å; F104-L137 HydrophobicContact CZ-CD2 4.43Å; M129-L137 HydrophobicContact SD-CB 4.47Å; M129-L137 HydrophobicContact SD-CD2 3.59Å; M129-L137 VanDerWaalsContact SD-CD2 3.59Å; M129-L137 HydrophobicContact SD-CG 3.94Å; Y134-L137 PolarHBondContact O-N 3.17Å; L135-L137 VanDerWaalsContact C-N 3.31Å; L137-V140 HydrophobicContact CD1-CG2 4.16Å; L137-V140 HydrophobicContact CD2-CG2 3.44Å; L137-V140 VanDerWaalsContact CD2-CG2 3.44Å; L137-V140 HydrophobicContact CG-CG2 3.85Å
138R93.5Very high90.8Very high84 Ų8442.2 Ų42.232%0.31722%0.217SC..EExtended strand (participates in β ladder)trans-87.4-31.6-177.167.6170.2172.1108.3-3.1112.4E22 R23 D57 W87 F88 R136E22-R138 WeakPolarHBondContact CA-O 3.4Å; R23-R138 PolarHBondContact N-O 3.08Å; D57-R138 IonicContact OD2-CZ 3.4Å; D57-R138 IonicContact OD2-NH1 3.7Å; D57-R138 PolarHBondContact OD2-NH1 3.24Å; D57-R138 IonicContact OD2-NH2 2.66Å; D57-R138 PolarHBondContact OD2-NH2 3.45Å; W87-R138 HydrophobicContact CB-CG 3.94Å; W87-R138 VanDerWaalsContact CD1-NH2 3.26Å; W87-R138 VanDerWaalsContact O-CG 3.22Å; W87-R138 WeakPolarHBondContact O-CG 3.36Å; W87-R138 PolarHBondContact O-N 2.84Å; F88-R138 WeakPolarHBondContact O-CD 3.44Å; F88-R138 WeakPolarHBondContact O-CG 3.48Å; F88-R138 PolarHBondContact O-NE 3.36Å; R136-R138 PolarHBondContact O-N 3.37Å; R136-R138 VanDerWaalsContact O-N 3.15Å
139R94.3Very high89.8Confident20 Ų2049.5 Ų49.58%0.07525%0.248CC..EExtended strand (participates in β ladder)trans-153.5141.9-176.4174-179.7159.1-158-12.9110.8R20 F21 E22 W87 D141R20-R139 HydrophobicContact CG-CG 4.21Å; R20-R139 VanDerWaalsContact CZ-NH2 3.31Å; R20-R139 VanDerWaalsContact NE-CZ 3.31Å; F21-R139 CarbonylContact O-C 3.49Å; F21-R139 WeakPolarHBondContact O-CA 3.34Å; E22-R139 HydrophobicContact CB-CB 4.4Å; E22-R139 HydrophobicContact CB-CG 4.41Å; W87-R139 HydrophobicContact CB-CB 4.22Å; W87-R139 HydrophobicContact CD2-CG 4.35Å; W87-R139 HydrophobicContact CE3-CB 4.07Å; W87-R139 HydrophobicContact CE3-CG 3.65Å; W87-R139 HydrophobicContact CZ3-CG 4.09Å; W87-R139 PolarHBondContact N-O 2.92Å; W87-R139 PolarHBondContact O-N 3.44Å; W87-R139 VanDerWaalsContact O-N 3.14Å; R139-D141 IonicContact CZ-OD1 3.74Å; R139-D141 IonicContact CZ-OD2 3.46Å; R139-D141 IonicContact NE-OD1 2.82Å; R139-D141 PolarHBondContact NE-OD1 2.92Å; R139-D141 IonicContact NE-OD2 3.4Å; R139-D141 PolarHBondContact NE-OD2 3.38Å; R139-D141 IonicContact NH2-OD1 3.62Å; R139-D141 IonicContact NH2-OD2 3.4Å; R139-D141 PolarHBondContact NH2-OD2 2.77Å
140V95.9Very high88.7Confident0 Ų055.4 Ų55.40%028%0.279CS..EExtended strand (participates in β ladder)trans-128.2126.9167.1-179.10000107.5F21 L84 K85 F86 F104 M129 L137F21-V140 HydrophobicContact CB-CB 4.45Å; F21-V140 HydrophobicContact CD2-CB 4.43Å; F21-V140 WeakPolarHBondContact CD2-O 3.23Å; F21-V140 PolarHBondContact N-O 2.84Å; F21-V140 PolarHBondContact O-N 2.89Å; L84-V140 HydrophobicContact CD2-CG1 3.91Å; K85-V140 CarbonylContact O-C 3.58Å; K85-V140 WeakPolarHBondContact O-CA 3.44Å; F86-V140 HydrophobicContact CD1-CG1 4.43Å; F86-V140 HydrophobicContact CD1-CG2 3.84Å; F86-V140 HydrophobicContact CE1-CG1 4.34Å; F86-V140 HydrophobicContact CE1-CG2 4.19Å; F104-V140 HydrophobicContact CZ-CG2 4.35Å; M129-V140 HydrophobicContact CE-CG2 4.4Å; M129-V140 HydrophobicContact CG-CG2 4.42Å; M129-V140 HydrophobicContact SD-CB 4.48Å; M129-V140 HydrophobicContact SD-CG2 3.68Å; L137-V140 HydrophobicContact CD1-CG2 4.16Å; L137-V140 HydrophobicContact CD2-CG2 3.44Å; L137-V140 VanDerWaalsContact CD2-CG2 3.44Å; L137-V140 HydrophobicContact CG-CG2 3.85Å
141D94.6Very high87.6Confident0 Ų056.9 Ų56.90%029%0.286CS..EExtended strand (participates in β ladder)trans-104.9133.4166.6-73.614.1000107.9I18 I19 R20 L84 K85 W87 R139I18-D141 HydrophobicContact CG2-CB 4.22Å; I19-D141 WeakPolarHBondContact O-CA 3.29Å; R20-D141 WeakPolarHBondContact CB-OD1 3.19Å; R20-D141 WeakPolarHBondContact CG-OD1 3.41Å; R20-D141 IonicContact CZ-OD2 3.7Å; R20-D141 IonicContact NE-OD1 3.46Å; R20-D141 PolarHBondContact NE-OD1 3.38Å; R20-D141 VanDerWaalsContact NE-OD1 3.09Å; R20-D141 IonicContact NE-OD2 3.09Å; R20-D141 PolarHBondContact NE-OD2 3.36Å; R20-D141 IonicContact NH2-OD2 2.78Å; R20-D141 PolarHBondContact NH2-OD2 3.04Å; R20-D141 VanDerWaalsContact NH2-OD2 3.1Å; L84-D141 WeakPolarHBondContact CA-O 3.4Å; K85-D141 HydrophobicContact CB-CB 4.25Å; K85-D141 PolarHBondContact N-O 3.04Å; K85-D141 PolarHBondContact O-N 2.93Å; W87-D141 HydrophobicContact CH2-CB 3.9Å; W87-D141 HydrophobicContact CZ3-CB 3.69Å; R139-D141 IonicContact CZ-OD1 3.74Å; R139-D141 IonicContact CZ-OD2 3.46Å; R139-D141 IonicContact NE-OD1 2.82Å; R139-D141 PolarHBondContact NE-OD1 2.92Å; R139-D141 IonicContact NE-OD2 3.4Å; R139-D141 PolarHBondContact NE-OD2 3.38Å; R139-D141 IonicContact NH2-OD1 3.62Å; R139-D141 IonicContact NH2-OD2 3.4Å; R139-D141 PolarHBondContact NH2-OD2 2.77Å
142L94.6Very high86.6Confident0 Ų058.2 Ų58.20%029%0.285CS..EExtended strand (participates in β ladder)trans-108.2107.2171.9173.767.9000108.4I18 I19 F21 R82 C83 L84 F121 L122 I144I18-L142 CarbonylContact C-O 3.57Å; I18-L142 WeakPolarHBondContact CA-O 3.48Å; I19-L142 HydrophobicContact CB-CB 4.46Å; I19-L142 PolarHBondContact N-O 3.2Å; I19-L142 PolarHBondContact O-N 2.7Å; F21-L142 HydrophobicContact CE2-CB 4.01Å; R82-L142 HydrophobicContact CB-CD1 3.96Å; R82-L142 HydrophobicContact CG-CD1 4.32Å; C83-L142 CarbonylContact O-C 3.56Å; C83-L142 WeakPolarHBondContact O-CA 3.3Å; L84-L142 HydrophobicContact CD2-CB 4.36Å; L84-L142 HydrophobicContact CD2-CD1 3.82Å; L84-L142 HydrophobicContact CG-CD1 4.33Å; F121-L142 HydrophobicContact CD1-CD2 3.99Å; F121-L142 HydrophobicContact CE1-CD1 4.12Å; F121-L142 HydrophobicContact CE1-CD2 3.7Å; L122-L142 HydrophobicContact CD2-CD2 3.7Å; L142-I144 HydrophobicContact CD2-CD1 3.98Å; L142-I144 HydrophobicContact CD2-CG1 4.25Å; L142-I144 HydrophobicContact CG-CD1 4.13Å; L142-I144 HydrophobicContact CG-CG1 4.07Å
143D92.3Very high85.6Confident5 Ų560 Ų603%0.02728%0.282CS..EExtended strand (participates in β ladder)trans-87.7127.3170.5-61.9-7.3000108.8M16 I18 R82 C83 K85M16-D143 HydrophobicContact CG-CB 4.44Å; M16-D143 HydrophobicContact SD-CB 3.89Å; I18-D143 WeakPolarHBondContact CG1-OD1 3.46Å; I18-D143 WeakPolarHBondContact CG2-OD1 3.43Å; R82-D143 CarbonylContact C-O 3.58Å; R82-D143 VanDerWaalsContact CA-O 3.32Å; R82-D143 WeakPolarHBondContact CA-O 3.44Å; C83-D143 HydrophobicContact CB-CB 4.14Å; C83-D143 PolarHBondContact N-O 3.49Å; C83-D143 PolarHBondContact O-N 3.16Å; K85-D143 VanDerWaalsContact CE-OD2 3.24Å; K85-D143 WeakPolarHBondContact CE-OD2 3.49Å; K85-D143 IonicContact NZ-OD2 3.59Å; K85-D143 PolarHBondContact NZ-OD2 3.45Å
144I90.2Very high84.3Confident7 Ų756.7 Ų56.74%0.03628%0.28CS..EExtended strand (participates in β ladder)trans-112.6114.3175.2-64.1135.8000107.9M16 K17 I19 E80 R82 Y118 L142M16-I144 WeakPolarHBondContact CG-O 3.39Å; K17-I144 HydrophobicContact CB-CB 4.4Å; K17-I144 HydrophobicContact CB-CD1 4.45Å; K17-I144 PolarHBondContact N-O 3.45Å; K17-I144 VanDerWaalsContact N-O 3.12Å; K17-I144 PolarHBondContact O-N 2.9Å; I19-I144 HydrophobicContact CD1-CD1 4.22Å; I19-I144 HydrophobicContact CG1-CD1 4.47Å; E80-I144 HydrophobicContact CB-CG2 4.36Å; E80-I144 VanDerWaalsContact CD-CG2 3.44Å; E80-I144 HydrophobicContact CG-CG2 4.18Å; E80-I144 WeakPolarHBondContact OE2-CG2 3.49Å; R82-I144 HydrophobicContact CG-CG1 4.4Å; Y118-I144 HydrophobicContact CE2-CD1 3.42Å; Y118-I144 VanDerWaalsContact CE2-CD1 3.42Å; Y118-I144 HydrophobicContact CE2-CG1 4.16Å; Y118-I144 WeakPolarHBondContact OH-CD1 3.39Å; L142-I144 HydrophobicContact CD2-CD1 3.98Å; L142-I144 HydrophobicContact CD2-CG1 4.25Å; L142-I144 HydrophobicContact CG-CD1 4.13Å; L142-I144 HydrophobicContact CG-CG1 4.07Å
145I88Confident82.8Confident56 Ų5658 Ų5829%0.28729%0.286SS..EExtended strand (participates in β ladder)trans-116.9106.1-172.5-55.5164.4000106.9M16 E80 N81 L147M16-I145 HydrophobicContact CG-CG1 3.93Å; M16-I145 HydrophobicContact SD-CD1 4.29Å; M16-I145 HydrophobicContact SD-CG1 3.81Å; E80-I145 CarbonylContact C-O 3.57Å; E80-I145 WeakPolarHBondContact CA-O 3.4Å; N81-I145 HydrophobicContact CB-CB 4.11Å; N81-I145 PolarHBondContact N-O 2.94Å; N81-I145 PolarHBondContact O-N 3.42Å; I145-L147 PolarHBondContact O-N 2.96Å
146P84.7Confident81.2Confident79 Ų7957.3 Ų57.351%0.51329%0.287SS..EExtended strand (participates in β ladder)trans-59.3133.7174.3-20.732.1000110.4N15N15-P146 WeakPolarHBondContact O-CD 3.25Å
147L81.1Confident79.3Confident15 Ų1558.5 Ų58.58%0.07931%0.305CS..PPolyproline II helixtrans-84.4146.4174.4-71.6173.5000110.4T66 A79 N81 I145 E151 Q152 L155T66-L147 HydrophobicContact CG2-CD1 3.71Å; A79-L147 HydrophobicContact CB-CD1 3.85Å; A79-L147 WeakPolarHBondContact O-CB 3.43Å; A79-L147 PolarHBondContact O-N 3.33Å; N81-L147 VanDerWaalsContact ND2-CD2 3.34Å; N81-L147 WeakPolarHBondContact ND2-CD2 3.26Å; I145-L147 PolarHBondContact O-N 2.96Å; L147-E151 HydrophobicContact CB-CB 4.14Å; L147-E151 HydrophobicContact CD2-CB 3.93Å; L147-E151 HydrophobicContact CD2-CG 4.35Å; L147-E151 WeakPolarHBondContact CD2-OE2 3.18Å; L147-E151 HydrophobicContact CG-CB 4.47Å; L147-Q152 HydrophobicContact CB-CG 3.96Å; L147-Q152 PolarHBondContact O-NE2 3.09Å; L147-L155 HydrophobicContact CD1-CD1 3.69Å
148D80.3Confident77.5Confident86 Ų8665.5 Ų65.546%0.4634%0.338SS..PPolyproline II helixtrans-71.9172.7171.176.230.8000111.6L150 E151 Q152D148-L150 VanDerWaalsContact C-N 3.29Å; D148-L150 PolarHBondContact O-N 2.88Å; D148-L150 WeakPolarHBondContact OD1-CA 3.31Å; D148-L150 WeakPolarHBondContact OD1-CB 3.36Å; D148-L150 PolarHBondContact OD1-N 2.87Å; D148-E151 PolarHBondContact N-OE2 3.39Å; D148-E151 VanDerWaalsContact N-OE2 3.13Å; D148-E151 WeakPolarHBondContact OD1-CG 3.23Å; D148-E151 PolarHBondContact OD1-N 2.72Å; D148-Q152 WeakPolarHBondContact O-CB 3.43Å; D148-Q152 WeakPolarHBondContact O-CG 3.34Å; D148-Q152 PolarHBondContact O-N 3.17Å; D148-Q152 VanDerWaalsContact O-N 3.08Å
149K73.3Confident75.6Confident167 Ų16771.3 Ų71.373%0.72636%0.359SS*.Hα-helixtrans-64.2-33.2-178-77.2-172.9175.3-174.10113.1Q152 E153K149-Q152 PolarHBondContact O-N 3.05Å; K149-E153 WeakPolarHBondContact O-CG 3.43Å; K149-E153 PolarHBondContact O-N 2.87Å
150L69.9Low74.1Confident124 Ų12475 Ų7565%0.64938%0.381SS*.Hα-helixtrans-72.4-45.1-177-176.668.4000110.1D148 Q152 E153 S154D148-L150 VanDerWaalsContact C-N 3.29Å; D148-L150 PolarHBondContact O-N 2.88Å; D148-L150 WeakPolarHBondContact OD1-CA 3.31Å; D148-L150 WeakPolarHBondContact OD1-CB 3.36Å; D148-L150 PolarHBondContact OD1-N 2.87Å; L150-Q152 VanDerWaalsContact C-N 3.26Å; L150-Q152 PolarHBondContact O-N 3.3Å; L150-E153 PolarHBondContact O-N 3.4Å; L150-S154 PolarHBondContact O-N 3.18Å
151E69.1Low73Confident93 Ų9381.9 Ų81.944%0.43542%0.417SS..Hα-helixtrans-61.8-35.9174.3-66.4177.3127.100111.6L147 D148 S154 L155L147-E151 HydrophobicContact CB-CB 4.14Å; L147-E151 HydrophobicContact CD2-CB 3.93Å; L147-E151 HydrophobicContact CD2-CG 4.35Å; L147-E151 WeakPolarHBondContact CD2-OE2 3.18Å; L147-E151 HydrophobicContact CG-CB 4.47Å; D148-E151 PolarHBondContact N-OE2 3.39Å; D148-E151 VanDerWaalsContact N-OE2 3.13Å; D148-E151 WeakPolarHBondContact OD1-CG 3.23Å; D148-E151 PolarHBondContact OD1-N 2.72Å; E151-S154 PolarHBondContact O-N 2.95Å; E151-L155 WeakPolarHBondContact O-CG 3.27Å
152Q69.8Low72.4Confident54 Ų5485.5 Ų85.525%0.25243%0.433SS..Hα-helixtrans-64.6-38.6176.1-77.3179.653.400113.2A79 L147 D148 K149 L150 S154 L155A79-Q152 HydrophobicContact CB-CG 3.79Å; L147-Q152 HydrophobicContact CB-CG 3.96Å; L147-Q152 PolarHBondContact O-NE2 3.09Å; D148-Q152 WeakPolarHBondContact O-CB 3.43Å; D148-Q152 WeakPolarHBondContact O-CG 3.34Å; D148-Q152 PolarHBondContact O-N 3.17Å; D148-Q152 VanDerWaalsContact O-N 3.08Å; K149-Q152 PolarHBondContact O-N 3.05Å; L150-Q152 VanDerWaalsContact C-N 3.26Å; L150-Q152 PolarHBondContact O-N 3.3Å; Q152-S154 VanDerWaalsContact C-N 3.28Å; Q152-S154 PolarHBondContact O-N 3.42Å; Q152-L155 PolarHBondContact O-N 2.87Å
153E66.3Low72Confident139 Ų13989 Ų8965%0.6546%0.456SS*.Hα-helixtrans-66.8-29.5179.6-74.4171.1-170.900112.2K149 L150 L155K149-E153 WeakPolarHBondContact O-CG 3.43Å; K149-E153 PolarHBondContact O-N 2.87Å; L150-E153 PolarHBondContact O-N 3.4Å; E153-L155 VanDerWaalsContact C-N 3.27Å; E153-L155 PolarHBondContact O-N 3.38Å
154S65.1Low71.7Confident64 Ų6493.7 Ų93.745%0.44849%0.485SS..THydrogen-bonded Turntrans-72.9-12.2176.6-59.50000114.8L150 E151 Q152L150-S154 PolarHBondContact O-N 3.18Å; E151-S154 PolarHBondContact O-N 2.95Å; Q152-S154 VanDerWaalsContact C-N 3.28Å; Q152-S154 PolarHBondContact O-N 3.42Å
155L61.6Low71.6Confident30 Ų3097.9 Ų97.916%0.15750%0.504CS..THydrogen-bonded Turntrans-89.4-4-177-63.4169.3000114.3T66 I68 A79 L147 E151 Q152 E153 P157T66-L155 HydrophobicContact CG2-CD1 3.45Å; T66-L155 VanDerWaalsContact CG2-CD1 3.45Å; T66-L155 HydrophobicContact CG2-CD2 3.73Å; T66-L155 HydrophobicContact CG2-CG 4.24Å; I68-L155 HydrophobicContact CD1-CB 3.85Å; I68-L155 HydrophobicContact CG1-CB 4.44Å; I68-L155 HydrophobicContact CG1-CD1 4.23Å; A79-L155 HydrophobicContact CB-CD1 3.4Å; L147-L155 HydrophobicContact CD1-CD1 3.69Å; E151-L155 WeakPolarHBondContact O-CG 3.27Å; Q152-L155 PolarHBondContact O-N 2.87Å; E153-L155 VanDerWaalsContact C-N 3.27Å; E153-L155 PolarHBondContact O-N 3.38Å; L155-P157 WeakPolarHBondContact O-CD 3.13Å
156V54.9Low71.6Confident102 Ų10298 Ų9862%0.61850%0.504SS*.SBendtrans-60.8125.8178.1-178.90000108.4E158V156-E158 PolarHBondContact O-N 2.92Å
157P53.4Low71.6Confident103 Ų10396.6 Ų96.667%0.66949%0.494SS*.  trans-54.3120.4176.3-23.531.8000109.1L155 R159L155-P157 WeakPolarHBondContact O-CD 3.13Å; P157-R159 PolarHBondContact O-N 3.13Å
158E54.4Low72Confident148 Ų14897 Ų9769%0.69250%0.495SS*.  trans-58.9100.8174.5-78.5165.6-138.100108.1V156 K479V156-E158 PolarHBondContact O-N 2.92Å; E158-K479 IonicContact OE1-NZ 2.86Å; E158-K479 PolarHBondContact OE1-NZ 2.99Å
159R54.1Low72.6Confident206 Ų20694.6 Ų94.678%0.77748%0.48SS*.  trans-78.8120.7162.4-74-173178.5-172.3-0.7106P157 N161P157-R159 PolarHBondContact O-N 3.13Å; R159-N161 VanDerWaalsContact C-N 3.27Å; R159-N161 PolarHBondContact O-N 3.12Å; R159-N161 PolarHBondContact O-ND2 3.35Å
160D63.6Low73.3Confident98 Ų9890.1 Ų90.152%0.52446%0.462SS..  trans-64.297.1168-167.8-9.7000108.1K162D160-K162 VanDerWaalsContact C-N 3.25Å; D160-K162 WeakPolarHBondContact OD1-CB 3.32Å; D160-K162 WeakPolarHBondContact OD1-CE 3.48Å; D160-K162 VanDerWaalsContact OD1-CG 3.22Å; D160-K162 WeakPolarHBondContact OD1-CG 3.33Å; D160-K162 PolarHBondContact OD1-N 3.34Å; D160-K162 WeakPolarHBondContact OD2-CE 3.43Å; D160-K162 IonicContact OD2-NZ 4Å; D160-K162 PolarHBondContact OD2-NZ 2.87Å
161N72.5Confident74.2Confident143 Ų14386.1 Ų86.177%0.76544%0.444SS*.  trans-89.88.3179.6-64.7-38.9000111.3R159R159-N161 VanDerWaalsContact C-N 3.27Å; R159-N161 PolarHBondContact O-N 3.12Å; R159-N161 PolarHBondContact O-ND2 3.35Å
162K80.8Confident75.3Confident76 Ų7681.7 Ų81.733%0.3342%0.423SS..SBendtrans-64.1142.4177-69.4176.6-69.3179.40109.7D160 Q166 V167 E170D160-K162 VanDerWaalsContact C-N 3.25Å; D160-K162 WeakPolarHBondContact OD1-CB 3.32Å; D160-K162 WeakPolarHBondContact OD1-CE 3.48Å; D160-K162 VanDerWaalsContact OD1-CG 3.22Å; D160-K162 WeakPolarHBondContact OD1-CG 3.33Å; D160-K162 PolarHBondContact OD1-N 3.34Å; D160-K162 WeakPolarHBondContact OD2-CE 3.43Å; D160-K162 IonicContact OD2-NZ 4Å; D160-K162 PolarHBondContact OD2-NZ 2.87Å; K162-Q166 HydrophobicContact CB-CB 4.44Å; K162-Q166 HydrophobicContact CB-CG 4.35Å; K162-Q166 HydrophobicContact CD-CG 4.2Å; K162-Q166 VanDerWaalsContact CD-NE2 3.32Å; K162-V167 HydrophobicContact CB-CG2 3.88Å; K162-E170 IonicContact NZ-OE1 2.97Å; K162-E170 IonicContact NZ-OE2 3.1Å; K162-E170 PolarHBondContact NZ-OE2 2.93Å
163P87.1Confident76.4Confident73 Ų7381 Ų8147%0.47442%0.42SS..  trans-56.2145.8171.8-23.633.6000111.6E165 Q166 V167P163-E165 PolarHBondContact O-N 3.06Å; P163-E165 VanDerWaalsContact O-N 3.14Å; P163-Q166 WeakPolarHBondContact O-CA 3.03Å; P163-Q166 WeakPolarHBondContact O-CB 3.3Å; P163-Q166 PolarHBondContact O-N 2.85Å; P163-V167 PolarHBondContact O-N 2.87Å; P163-V167 VanDerWaalsContact O-N 3.12Å
164T84.9Confident77.5Confident105 Ų10577 Ų7764%0.64440%0.402SS*.Hα-helixtrans-52.9-37.9178.9-53.40000112.2Q166 V167 L168T164-Q166 VanDerWaalsContact C-N 3.32Å; T164-Q166 PolarHBondContact O-N 2.57Å; T164-V167 PolarHBondContact O-N 2.79Å; T164-L168 VanDerWaalsContact O-CB 3.32Å; T164-L168 WeakPolarHBondContact O-CB 3.07Å; T164-L168 PolarHBondContact O-N 3.02Å
165E89.4Confident78.7Confident94 Ų9477.8 Ų77.844%0.43940%0.395SS..Hα-helixtrans-60.2-41.4176.7-63.880.7-177.700111.8P163 R169 L200 Q204P163-E165 PolarHBondContact O-N 3.06Å; P163-E165 VanDerWaalsContact O-N 3.14Å; E165-R169 WeakPolarHBondContact O-CB 3.5Å; E165-R169 PolarHBondContact O-N 2.93Å; E165-L200 HydrophobicContact CG-CD1 4.04Å; E165-Q204 PolarHBondContact O-OE1 3.06Å
166Q88Confident80.1Confident59 Ų5976.4 Ų76.428%0.27639%0.388SS..Hα-helixtrans-69-47.2178.4175.5175.3-7.500111.2K162 P163 T164 L168 R169 E170K162-Q166 HydrophobicContact CB-CB 4.44Å; K162-Q166 HydrophobicContact CB-CG 4.35Å; K162-Q166 HydrophobicContact CD-CG 4.2Å; K162-Q166 VanDerWaalsContact CD-NE2 3.32Å; P163-Q166 WeakPolarHBondContact O-CA 3.03Å; P163-Q166 WeakPolarHBondContact O-CB 3.3Å; P163-Q166 PolarHBondContact O-N 2.85Å; T164-Q166 VanDerWaalsContact C-N 3.32Å; T164-Q166 PolarHBondContact O-N 2.57Å; Q166-L168 VanDerWaalsContact C-N 3.25Å; Q166-L168 PolarHBondContact O-N 3.44Å; Q166-R169 PolarHBondContact O-N 2.78Å; Q166-R169 VanDerWaalsContact O-N 3.15Å; Q166-E170 HydrophobicContact CG-CG 4.5Å; Q166-E170 VanDerWaalsContact CG-OE1 3.3Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.47Å; Q166-E170 PolarHBondContact NE2-OE1 3.35Å; Q166-E170 WeakPolarHBondContact O-CG 3.31Å; Q166-E170 PolarHBondContact O-N 2.92Å
167V84.4Confident81.9Confident50 Ų5073.1 Ų73.130%0.30337%0.366SS..Hα-helixtrans-58.5-41.7177.6177.20000110.7K162 P163 T164 S171K162-V167 HydrophobicContact CB-CG2 3.88Å; P163-V167 PolarHBondContact O-N 2.87Å; P163-V167 VanDerWaalsContact O-N 3.12Å; T164-V167 PolarHBondContact O-N 2.79Å; V167-S171 WeakPolarHBondContact O-CB 3.29Å; V167-S171 PolarHBondContact O-N 2.85Å; V167-S171 PolarHBondContact O-OG 3.49Å
168L90Very high83.5Confident22 Ų2271.3 Ų71.312%0.11535%0.348CS..Hα-helixtrans-65.8-42.6176.1-176.462.5000112.2T164 Q166 S171 L172 L193 L200 L201 Q204T164-L168 VanDerWaalsContact O-CB 3.32Å; T164-L168 WeakPolarHBondContact O-CB 3.07Å; T164-L168 PolarHBondContact O-N 3.02Å; Q166-L168 VanDerWaalsContact C-N 3.25Å; Q166-L168 PolarHBondContact O-N 3.44Å; L168-S171 WeakPolarHBondContact O-CB 3.49Å; L168-S171 PolarHBondContact O-N 3.36Å; L168-L172 HydrophobicContact CG-CD1 4.3Å; L168-L172 WeakPolarHBondContact O-CB 3.44Å; L168-L172 WeakPolarHBondContact O-CG 3.45Å; L168-L172 PolarHBondContact O-N 2.95Å; L168-L193 HydrophobicContact CD1-CD1 4.29Å; L168-L200 HydrophobicContact CD2-CD2 3.57Å; L168-L200 HydrophobicContact CD2-CG 3.59Å; L168-L201 HydrophobicContact CD1-CD2 3.86Å; L168-L201 HydrophobicContact CD2-CD2 4.04Å; L168-L201 HydrophobicContact CG-CD2 4.19Å; L168-Q204 HydrophobicContact CD2-CG 4.17Å; L168-Q204 HydrophobicContact CG-CG 4.43Å
169R92.1Very high85.2Confident36 Ų3664.8 Ų64.814%0.13632%0.32CS..Hα-helixtrans-63-42.6177.5-173176.461.7-148.6-12.7112.2E165 Q166 S171 L172 Q173 Q204 E207 L208E165-R169 WeakPolarHBondContact O-CB 3.5Å; E165-R169 PolarHBondContact O-N 2.93Å; Q166-R169 PolarHBondContact O-N 2.78Å; Q166-R169 VanDerWaalsContact O-N 3.15Å; R169-S171 VanDerWaalsContact C-N 3.35Å; R169-L172 WeakPolarHBondContact O-CB 3.17Å; R169-L172 PolarHBondContact O-N 3.28Å; R169-Q173 PolarHBondContact O-N 3.13Å; R169-Q204 HydrophobicContact CB-CB 4.25Å; R169-Q204 HydrophobicContact CB-CG 4.42Å; R169-E207 IonicContact CZ-OE2 3.49Å; R169-E207 IonicContact NH1-OE1 2.71Å; R169-E207 IonicContact NH1-OE2 3.02Å; R169-E207 PolarHBondContact NH1-OE2 2.88Å; R169-L208 HydrophobicContact CG-CD1 4.46Å; R169-L208 HydrophobicContact CG-CD2 3.75Å; R169-L208 HydrophobicContact CG-CG 3.95Å
170E88.7Confident86.9Confident74 Ų7455.4 Ų55.435%0.34629%0.285SS..Hα-helixtrans-63.4-42.1174.8-72.1170.8-167.300111K162 Q166 Q173 M174K162-E170 IonicContact NZ-OE1 2.97Å; K162-E170 IonicContact NZ-OE2 3.1Å; K162-E170 PolarHBondContact NZ-OE2 2.93Å; Q166-E170 HydrophobicContact CG-CG 4.5Å; Q166-E170 VanDerWaalsContact CG-OE1 3.3Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.47Å; Q166-E170 PolarHBondContact NE2-OE1 3.35Å; Q166-E170 WeakPolarHBondContact O-CG 3.31Å; Q166-E170 PolarHBondContact O-N 2.92Å; E170-Q173 PolarHBondContact O-N 2.82Å; E170-M174 WeakPolarHBondContact O-CB 3.47Å; E170-M174 PolarHBondContact O-N 3.14Å
171S88.5Confident88.1Confident39 Ų3950.8 Ų50.827%0.27326%0.26SS..Hα-helixtrans-63-43.3175.3-60.20000111.9V167 L168 R169 M174 R175V167-S171 WeakPolarHBondContact O-CB 3.29Å; V167-S171 PolarHBondContact O-N 2.85Å; V167-S171 PolarHBondContact O-OG 3.49Å; L168-S171 WeakPolarHBondContact O-CB 3.49Å; L168-S171 PolarHBondContact O-N 3.36Å; R169-S171 VanDerWaalsContact C-N 3.35Å; S171-M174 PolarHBondContact O-N 3.4Å; S171-R175 WeakPolarHBondContact O-CG 3.37Å; S171-R175 PolarHBondContact O-N 3.09Å
172L92.5Very high88.9Confident0 Ų045.5 Ų45.50%023%0.232CC..Hα-helixtrans-59.8-47.8174.7-84.7165.5000111.9L168 R169 M174 R175 L176 L189 L193 L201 Q204 L205 L208L168-L172 HydrophobicContact CG-CD1 4.3Å; L168-L172 WeakPolarHBondContact O-CB 3.44Å; L168-L172 WeakPolarHBondContact O-CG 3.45Å; L168-L172 PolarHBondContact O-N 2.95Å; R169-L172 WeakPolarHBondContact O-CB 3.17Å; R169-L172 PolarHBondContact O-N 3.28Å; L172-M174 VanDerWaalsContact C-N 3.35Å; L172-M174 PolarHBondContact O-N 3.44Å; L172-R175 PolarHBondContact O-N 3.32Å; L172-L176 WeakPolarHBondContact O-CB 3.5Å; L172-L176 WeakPolarHBondContact O-CD1 3.3Å; L172-L176 VanDerWaalsContact O-CG 3.31Å; L172-L176 WeakPolarHBondContact O-CG 3.42Å; L172-L176 PolarHBondContact O-N 2.85Å; L172-L189 HydrophobicContact CD2-CD1 4.01Å; L172-L189 HydrophobicContact CD2-CD2 4.05Å; L172-L189 HydrophobicContact CD2-CG 4.43Å; L172-L193 HydrophobicContact CD2-CD1 3.43Å; L172-L193 VanDerWaalsContact CD2-CD1 3.43Å; L172-L193 HydrophobicContact CG-CD1 3.7Å; L172-L201 HydrophobicContact CD1-CD2 4.03Å; L172-L201 HydrophobicContact CD2-CD2 4.1Å; L172-L201 HydrophobicContact CG-CD2 4.26Å; L172-Q204 HydrophobicContact CD1-CB 3.54Å; L172-Q204 HydrophobicContact CD1-CG 4.5Å; L172-L205 HydrophobicContact CD1-CG 4.21Å; L172-L205 HydrophobicContact CD2-CD2 4.01Å; L172-L205 HydrophobicContact CD2-CG 4.21Å; L172-L208 HydrophobicContact CB-CD1 3.89Å
173Q92Very high89.3Confident41 Ų4143.9 Ų43.919%0.19223%0.228CC..Hα-helixtrans-57.6-49.7176.6177.9177.8-17.400110.6R169 E170 R175 L176 E177 L208R169-Q173 PolarHBondContact O-N 3.13Å; E170-Q173 PolarHBondContact O-N 2.82Å; Q173-R175 PolarHBondContact O-N 2.95Å; Q173-L176 PolarHBondContact O-N 3.47Å; Q173-E177 HydrophobicContact CG-CG 4.39Å; Q173-E177 WeakPolarHBondContact CG-OE1 3.32Å; Q173-E177 PolarHBondContact NE2-OE1 3.48Å; Q173-E177 VanDerWaalsContact O-CG 3.31Å; Q173-E177 WeakPolarHBondContact O-CG 3.14Å; Q173-E177 PolarHBondContact O-N 2.94Å; Q173-L208 HydrophobicContact CB-CD1 4.29Å; Q173-L208 HydrophobicContact CB-CD2 4.15Å
174M88.9Confident89.5Confident54 Ų5441.4 Ų41.427%0.26621%0.211SC..Hα-helixtrans-56.6-48.4179-176.5-178.27000111.9E170 S171 L172 L176 E177 E178 T577E170-M174 WeakPolarHBondContact O-CB 3.47Å; E170-M174 PolarHBondContact O-N 3.14Å; S171-M174 PolarHBondContact O-N 3.4Å; L172-M174 VanDerWaalsContact C-N 3.35Å; L172-M174 PolarHBondContact O-N 3.44Å; M174-L176 VanDerWaalsContact C-N 3.33Å; M174-L176 PolarHBondContact O-N 3.44Å; M174-E177 PolarHBondContact O-N 3.35Å; M174-E178 WeakPolarHBondContact O-CG 3.34Å; M174-E178 PolarHBondContact O-N 3.28Å; M174-T577 HydrophobicContact CG-CG2 4.49Å; M174-T577 HydrophobicContact SD-CG2 3.64Å
175R89.8Confident89.8Confident81 Ų8136.9 Ų36.931%0.30618%0.183SC..Hα-helixtrans-63.7-36.9178.9-63.5-47.3-175.2-168.3-4113S171 L172 Q173 E177 E178 A179 I192 L193S171-R175 WeakPolarHBondContact O-CG 3.37Å; S171-R175 PolarHBondContact O-N 3.09Å; L172-R175 PolarHBondContact O-N 3.32Å; Q173-R175 PolarHBondContact O-N 2.95Å; R175-E177 VanDerWaalsContact C-N 3.35Å; R175-E178 WeakPolarHBondContact CD-OE2 3.34Å; R175-E178 IonicContact CZ-OE2 3.88Å; R175-E178 IonicContact NE-OE2 3.18Å; R175-E178 IonicContact NH1-OE1 2.62Å; R175-E178 PolarHBondContact NH1-OE1 2.81Å; R175-E178 IonicContact NH1-OE2 3.82Å; R175-E178 PolarHBondContact NH1-OE2 3.18Å; R175-A179 WeakPolarHBondContact O-CB 3.49Å; R175-A179 PolarHBondContact O-N 3.29Å; R175-I192 HydrophobicContact CB-CG2 4.44Å; R175-I192 HydrophobicContact CG-CG2 3.74Å; R175-L193 HydrophobicContact CG-CD2 3.67Å; R175-L193 HydrophobicContact CG-CG 4.39Å
176L92.5Very high89.9Confident1 Ų133.9 Ų33.91%0.00517%0.17CC..Hα-helixtrans-71-32.2177.3-71165.4000112.2L172 Q173 M174 Y180 L184 L189 L205 L208 I214 F229L172-L176 WeakPolarHBondContact O-CB 3.5Å; L172-L176 WeakPolarHBondContact O-CD1 3.3Å; L172-L176 VanDerWaalsContact O-CG 3.31Å; L172-L176 WeakPolarHBondContact O-CG 3.42Å; L172-L176 PolarHBondContact O-N 2.85Å; Q173-L176 PolarHBondContact O-N 3.47Å; M174-L176 VanDerWaalsContact C-N 3.33Å; M174-L176 PolarHBondContact O-N 3.44Å; L176-Y180 PolarHBondContact O-N 2.61Å; L176-L184 HydrophobicContact CD2-CB 4.17Å; L176-L184 HydrophobicContact CD2-CD1 4.08Å; L176-L184 HydrophobicContact CD2-CG 4.34Å; L176-L189 HydrophobicContact CD2-CD2 4.43Å; L176-L205 HydrophobicContact CD1-CD2 3.9Å; L176-L208 HydrophobicContact CD1-CD1 4.37Å; L176-I214 HydrophobicContact CB-CG2 4.49Å; L176-I214 HydrophobicContact CD1-CB 4.49Å; L176-I214 HydrophobicContact CD1-CD1 3.83Å; L176-I214 HydrophobicContact CD1-CG2 3.8Å; L176-F229 HydrophobicContact CD1-CB 4.37Å; L176-F229 HydrophobicContact CD2-CB 3.75Å; L176-F229 WeakPolarHBondContact CD2-O 3.46Å
177E91.1Very high90Very high32 Ų3234 Ų3415%0.1517%0.173CC..Hα-helixtrans-71.3-43.1172.9-71.7179.1172.300112.1Q173 M174 R175 A179 Y180 R231 L267 K309Q173-E177 HydrophobicContact CG-CG 4.39Å; Q173-E177 WeakPolarHBondContact CG-OE1 3.32Å; Q173-E177 PolarHBondContact NE2-OE1 3.48Å; Q173-E177 VanDerWaalsContact O-CG 3.31Å; Q173-E177 WeakPolarHBondContact O-CG 3.14Å; Q173-E177 PolarHBondContact O-N 2.94Å; M174-E177 PolarHBondContact O-N 3.35Å; R175-E177 VanDerWaalsContact C-N 3.35Å; E177-A179 VanDerWaalsContact C-N 3.3Å; E177-A179 PolarHBondContact O-N 3.38Å; E177-Y180 WeakPolarHBondContact O-CB 3.4Å; E177-Y180 PolarHBondContact O-N 2.65Å; E177-R231 HydrophobicContact CG-CG 4.02Å; E177-R231 VanDerWaalsContact CG-NE 3.27Å; E177-R231 IonicContact OE1-CZ 3.45Å; E177-R231 VanDerWaalsContact OE1-CZ 3.3Å; E177-R231 IonicContact OE1-NE 3.93Å; E177-R231 PolarHBondContact OE1-NE 3.31Å; E177-R231 IonicContact OE1-NH2 2.7Å; E177-R231 PolarHBondContact OE1-NH2 3.42Å; E177-L267 HydrophobicContact CB-CB 4.17Å; E177-L267 HydrophobicContact CB-CD2 4.1Å; E177-L267 HydrophobicContact CG-CD2 3.8Å; E177-K309 WeakPolarHBondContact O-CE 3.43Å
178E88.6Confident90.2Very high65 Ų6533.7 Ų33.730%0.30417%0.169SC..Hα-helixtrans-58.9-42.4172.8-74.6175.8160.200111.1M174 R175 Y180 K309 P311M174-E178 WeakPolarHBondContact O-CG 3.34Å; M174-E178 PolarHBondContact O-N 3.28Å; R175-E178 WeakPolarHBondContact CD-OE2 3.34Å; R175-E178 IonicContact CZ-OE2 3.88Å; R175-E178 IonicContact NE-OE2 3.18Å; R175-E178 IonicContact NH1-OE1 2.62Å; R175-E178 PolarHBondContact NH1-OE1 2.81Å; R175-E178 IonicContact NH1-OE2 3.82Å; R175-E178 PolarHBondContact NH1-OE2 3.18Å; E178-Y180 VanDerWaalsContact C-N 3.3Å; E178-Y180 PolarHBondContact O-N 2.83Å; E178-K309 PolarHBondContact O-NZ 2.78Å; E178-P311 VanDerWaalsContact O-O 3.07Å
179A89.2Confident90.3Very high12 Ų1232.7 Ų32.710%0.09916%0.164CC..Hα-helixtrans-74.6-15.3-179.800000114.1R175 E177 N182 L184R175-A179 WeakPolarHBondContact O-CB 3.49Å; R175-A179 PolarHBondContact O-N 3.29Å; E177-A179 VanDerWaalsContact C-N 3.3Å; E177-A179 PolarHBondContact O-N 3.38Å; A179-N182 WeakPolarHBondContact O-CA 3.46Å; A179-N182 VanDerWaalsContact O-CB 3.22Å; A179-N182 WeakPolarHBondContact O-CB 3.43Å; A179-N182 PolarHBondContact O-N 3.39Å; A179-N182 PolarHBondContact O-ND2 3.34Å; A179-L184 HydrophobicContact CB-CD1 3.71Å; A179-L184 HydrophobicContact CB-CD2 3.85Å; A179-L184 HydrophobicContact CB-CG 3.68Å
180Y90.4Very high90.3Very high9 Ų931.8 Ų31.84%0.03516%0.162CC..THydrogen-bonded Turntrans-53.8132.4-177.4178.2-95.8000111.1L176 E177 E178 R231 I233 L267 V294 K309L176-Y180 PolarHBondContact O-N 2.61Å; E177-Y180 WeakPolarHBondContact O-CB 3.4Å; E177-Y180 PolarHBondContact O-N 2.65Å; E178-Y180 VanDerWaalsContact C-N 3.3Å; E178-Y180 PolarHBondContact O-N 2.83Å; Y180-R231 HydrophobicContact CD2-CB 4.02Å; Y180-I233 HydrophobicContact CD1-CD1 3.87Å; Y180-I233 HydrophobicContact CD2-CD1 3.82Å; Y180-I233 HydrophobicContact CD2-CG1 4.2Å; Y180-I233 HydrophobicContact CE1-CD1 3.43Å; Y180-I233 VanDerWaalsContact CE1-CD1 3.43Å; Y180-I233 HydrophobicContact CE2-CD1 3.39Å; Y180-I233 HydrophobicContact CE2-CG1 3.78Å; Y180-I233 HydrophobicContact CG-CD1 4.06Å; Y180-L267 HydrophobicContact CD1-CD1 3.92Å; Y180-L267 HydrophobicContact CE1-CD1 4.3Å; Y180-L267 HydrophobicContact CG-CD1 4.44Å; Y180-V294 HydrophobicContact CE1-CB 4.34Å; Y180-V294 HydrophobicContact CE1-CG1 3.95Å; Y180-V294 HydrophobicContact CE1-CG2 4.34Å; Y180-K309 HydrophobicContact CD1-CD 3.99Å; Y180-K309 WeakPolarHBondContact O-CD 3.48Å; Y180-K309 VanDerWaalsContact O-CE 3.31Å; Y180-K309 WeakPolarHBondContact O-CE 3.48Å; Y180-K309 PolarHBondContact O-NZ 3.11Å
181P88.8Confident90.2Very high0 Ų036.4 Ų36.40%018%0.176CC..THydrogen-bonded Turncis-9414.68.437.6-36000115.9R230 V284 Y286 V294P181-R230 WeakPolarHBondContact O-CD 3.1Å; P181-V284 HydrophobicContact CB-CG1 4.02Å; P181-V284 HydrophobicContact CG-CG1 4.44Å; P181-Y286 HydrophobicContact CB-CE1 4.1Å; P181-V294 HydrophobicContact CG-CB 4.15Å; P181-V294 HydrophobicContact CG-CG1 4.2Å
182N89Confident90.1Very high32 Ų3237.6 Ų37.617%0.17118%0.178CC..SBendtrans-73.4162.7179.8-59.7-51.8000112.8A179 S292 P311A179-N182 WeakPolarHBondContact O-CA 3.46Å; A179-N182 VanDerWaalsContact O-CB 3.22Å; A179-N182 WeakPolarHBondContact O-CB 3.43Å; A179-N182 PolarHBondContact O-N 3.39Å; A179-N182 PolarHBondContact O-ND2 3.34Å; N182-S292 VanDerWaalsContact OD1-CB 3.27Å; N182-S292 WeakPolarHBondContact OD1-CB 3.49Å; N182-S292 PolarHBondContact OD1-N 2.85Å; N182-P311 WeakPolarHBondContact ND2-CB 3.38Å
183V89.5Confident89.8Confident43 Ų4339.1 Ų39.126%0.26119%0.186SC..PPolyproline II helixtrans-97.8133.9173.5-177.10000108.1V217 L219 F229 R230V183-V217 HydrophobicContact CG1-CB 4.14Å; V183-V217 HydrophobicContact CG2-CB 3.92Å; V183-V217 HydrophobicContact CG2-CG1 3.89Å; V183-V217 HydrophobicContact CG2-CG2 4.08Å; V183-L219 HydrophobicContact CG1-CD2 3.83Å; V183-F229 WeakPolarHBondContact CA-O 3.39Å; V183-R230 HydrophobicContact CG2-CB 4.24Å
184L90.2Very high89.6Confident20 Ų2045.8 Ų45.811%0.10522%0.218CC..BIsolated β-bridgetrans-103.2133169.9-63.7-177.1000109.9L176 A179 D188 L189 I192 G228 F229L176-L184 HydrophobicContact CD2-CB 4.17Å; L176-L184 HydrophobicContact CD2-CD1 4.08Å; L176-L184 HydrophobicContact CD2-CG 4.34Å; A179-L184 HydrophobicContact CB-CD1 3.71Å; A179-L184 HydrophobicContact CB-CD2 3.85Å; A179-L184 HydrophobicContact CB-CG 3.68Å; L184-D188 HydrophobicContact CB-CB 4.45Å; L184-D188 HydrophobicContact CD2-CB 4.35Å; L184-L189 HydrophobicContact CB-CD2 4.12Å; L184-L189 HydrophobicContact CB-CG 4.17Å; L184-L189 HydrophobicContact CD1-CD2 3.66Å; L184-I192 HydrophobicContact CD1-CD1 4.18Å; L184-I192 HydrophobicContact CD2-CD1 4.28Å; L184-G228 CarbonylContact O-C 3.53Å; L184-G228 VanDerWaalsContact O-CA 3.27Å; L184-G228 WeakPolarHBondContact O-CA 3.48Å; L184-F229 PolarHBondContact N-O 3.39Å; L184-F229 PolarHBondContact O-N 2.92Å
185S91.1Very high89.5Confident10 Ų1044.5 Ų44.57%0.0721%0.213CC..PPolyproline II helixtrans-76.8164.8170.5710000111.1D187 D188 L189S185-D187 PolarHBondContact O-N 2.78Å; S185-D187 PolarHBondContact OG-N 2.9Å; S185-D188 WeakPolarHBondContact CB-OD2 3.47Å; S185-D188 PolarHBondContact N-OD2 3.19Å; S185-D188 VanDerWaalsContact N-OD2 3.13Å; S185-D188 PolarHBondContact O-N 3.24Å; S185-D188 PolarHBondContact OG-N 3.46Å; S185-D188 PolarHBondContact OG-OD2 3.23Å; S185-L189 WeakPolarHBondContact O-CG 3.45Å; S185-L189 PolarHBondContact O-N 3.33Å
186M92Very high89.5Confident31 Ų3147.3 Ų47.315%0.15323%0.234CC..Hα-helixtrans-57.4-39.7170.9-179.463.27500111.5L189 I190 L201 Q202 L205 F229M186-L189 PolarHBondContact O-N 2.99Å; M186-I190 HydrophobicContact CG-CD1 4.11Å; M186-I190 VanDerWaalsContact O-CG1 3.29Å; M186-I190 WeakPolarHBondContact O-CG1 3.12Å; M186-I190 PolarHBondContact O-N 2.81Å; M186-L201 HydrophobicContact SD-CB 4.07Å; M186-L201 HydrophobicContact SD-CD1 4.19Å; M186-Q202 HydrophobicContact CE-CB 4.25Å; M186-Q202 VanDerWaalsContact CE-OE1 3.26Å; M186-L205 HydrophobicContact CE-CD1 3.66Å; M186-L205 HydrophobicContact SD-CD1 4.3Å; M186-F229 HydrophobicContact CB-CE2 4.48Å; M186-F229 HydrophobicContact CE-CE2 4.2Å; M186-F229 HydrophobicContact CE-CZ 4.2Å
187D90.3Very high89.4Confident63 Ų6351.3 Ų51.334%0.33726%0.256SS..Hα-helixtrans-67-36.5178.8-66.7-37.6000112S185 R191 R198S185-D187 PolarHBondContact O-N 2.78Å; S185-D187 PolarHBondContact OG-N 2.9Å; D187-R191 WeakPolarHBondContact O-CB 3.34Å; D187-R191 PolarHBondContact O-N 3.12Å; D187-R191 VanDerWaalsContact O-N 3.09Å; D187-R198 IonicContact OD1-CZ 3.58Å; D187-R198 IonicContact OD1-NH2 2.66Å; D187-R198 PolarHBondContact OD1-NH2 3.14Å
188D89.4Confident89.6Confident43 Ų4356.6 Ų56.623%0.2328%0.275CS..Hα-helixtrans-63.6-43.6172.6-66-55.5000111.3L184 S185 R191 I192L184-D188 HydrophobicContact CB-CB 4.45Å; L184-D188 HydrophobicContact CD2-CB 4.35Å; S185-D188 WeakPolarHBondContact CB-OD2 3.47Å; S185-D188 PolarHBondContact N-OD2 3.19Å; S185-D188 VanDerWaalsContact N-OD2 3.13Å; S185-D188 PolarHBondContact O-N 3.24Å; S185-D188 PolarHBondContact OG-N 3.46Å; S185-D188 PolarHBondContact OG-OD2 3.23Å; D188-R191 PolarHBondContact O-N 3.07Å; D188-R191 IonicContact OD1-CZ 3.51Å; D188-R191 IonicContact OD1-NH1 3.29Å; D188-R191 PolarHBondContact OD1-NH1 3.47Å; D188-R191 IonicContact OD1-NH2 2.77Å; D188-R191 PolarHBondContact OD1-NH2 2.95Å; D188-I192 HydrophobicContact CB-CD1 4.3Å; D188-I192 WeakPolarHBondContact O-CB 3.35Å; D188-I192 WeakPolarHBondContact O-CD1 3.33Å; D188-I192 WeakPolarHBondContact O-CG1 3.4Å; D188-I192 PolarHBondContact O-N 3.48Å
189L91.6Very high89.8Confident0 Ų056.9 Ų56.90%029%0.288CS..Hα-helixtrans-63.8-42.6179.3-69.2172.9000112.1L172 L176 L184 S185 M186 R191 I192 L193 L205 F229L172-L189 HydrophobicContact CD2-CD1 4.01Å; L172-L189 HydrophobicContact CD2-CD2 4.05Å; L172-L189 HydrophobicContact CD2-CG 4.43Å; L176-L189 HydrophobicContact CD2-CD2 4.43Å; L184-L189 HydrophobicContact CB-CD2 4.12Å; L184-L189 HydrophobicContact CB-CG 4.17Å; L184-L189 HydrophobicContact CD1-CD2 3.66Å; S185-L189 WeakPolarHBondContact O-CG 3.45Å; S185-L189 PolarHBondContact O-N 3.33Å; M186-L189 PolarHBondContact O-N 2.99Å; L189-R191 VanDerWaalsContact C-N 3.31Å; L189-R191 PolarHBondContact O-N 3.05Å; L189-I192 PolarHBondContact O-N 3.29Å; L189-L193 VanDerWaalsContact O-CB 3.25Å; L189-L193 WeakPolarHBondContact O-CB 3.41Å; L189-L193 WeakPolarHBondContact O-CG 3.44Å; L189-L193 PolarHBondContact O-N 3.48Å; L189-L205 HydrophobicContact CD1-CD1 3.85Å; L189-L205 HydrophobicContact CD1-CD2 3.99Å; L189-F229 HydrophobicContact CD1-CD2 3.83Å; L189-F229 HydrophobicContact CD1-CE2 4.39Å; L189-F229 HydrophobicContact CD1-CG 4.47Å
190I91.5Very high90Very high18 Ų1858.2 Ų58.29%0.09229%0.293CS..Hα-helixtrans-58.3-46.2174.2-67.8164000110.3M186 E194 C195 R198 L201M186-I190 HydrophobicContact CG-CD1 4.11Å; M186-I190 VanDerWaalsContact O-CG1 3.29Å; M186-I190 WeakPolarHBondContact O-CG1 3.12Å; M186-I190 PolarHBondContact O-N 2.81Å; I190-E194 WeakPolarHBondContact O-CA 3.29Å; I190-E194 PolarHBondContact O-N 2.78Å; I190-C195 PolarHBondContact O-N 2.95Å; I190-R198 HydrophobicContact CD1-CG 3.55Å; I190-R198 VanDerWaalsContact CD1-NE 3.26Å; I190-R198 HydrophobicContact CG1-CG 4.42Å; I190-L201 HydrophobicContact CG1-CD1 3.64Å
191R88.4Confident90.2Very high171 Ų17157.8 Ų57.865%0.64529%0.291SS*.Hα-helixtrans-64.8-44.8179.7-174.3-177.268.4-132.7-10.9112.2D187 D188 L189D187-R191 WeakPolarHBondContact O-CB 3.34Å; D187-R191 PolarHBondContact O-N 3.12Å; D187-R191 VanDerWaalsContact O-N 3.09Å; D188-R191 PolarHBondContact O-N 3.07Å; D188-R191 IonicContact OD1-CZ 3.51Å; D188-R191 IonicContact OD1-NH1 3.29Å; D188-R191 PolarHBondContact OD1-NH1 3.47Å; D188-R191 IonicContact OD1-NH2 2.77Å; D188-R191 PolarHBondContact OD1-NH2 2.95Å; L189-R191 VanDerWaalsContact C-N 3.31Å; L189-R191 PolarHBondContact O-N 3.05Å
192I86Confident90.5Very high63 Ų6361.2 Ų61.232%0.32331%0.308SS..Hα-helixtrans-72.4-37.5-175.7-67.6163000111.6R175 L184 D188 L189R175-I192 HydrophobicContact CB-CG2 4.44Å; R175-I192 HydrophobicContact CG-CG2 3.74Å; L184-I192 HydrophobicContact CD1-CD1 4.18Å; L184-I192 HydrophobicContact CD2-CD1 4.28Å; D188-I192 HydrophobicContact CB-CD1 4.3Å; D188-I192 WeakPolarHBondContact O-CB 3.35Å; D188-I192 WeakPolarHBondContact O-CD1 3.33Å; D188-I192 WeakPolarHBondContact O-CG1 3.4Å; D188-I192 PolarHBondContact O-N 3.48Å; L189-I192 PolarHBondContact O-N 3.29Å
193L84.9Confident90.8Very high33 Ų3363.4 Ų63.417%0.17332%0.322CS..Hα-helixtrans-92-5-178.3-64173.7000113.3L168 L172 R175 L189 C195 L201L168-L193 HydrophobicContact CD1-CD1 4.29Å; L172-L193 HydrophobicContact CD2-CD1 3.43Å; L172-L193 VanDerWaalsContact CD2-CD1 3.43Å; L172-L193 HydrophobicContact CG-CD1 3.7Å; R175-L193 HydrophobicContact CG-CD2 3.67Å; R175-L193 HydrophobicContact CG-CG 4.39Å; L189-L193 VanDerWaalsContact O-CB 3.25Å; L189-L193 WeakPolarHBondContact O-CB 3.41Å; L189-L193 WeakPolarHBondContact O-CG 3.44Å; L189-L193 PolarHBondContact O-N 3.48Å; L193-C195 HydrophobicContact CB-CB 4.19Å; L193-C195 PolarHBondContact O-N 2.99Å; L193-L201 HydrophobicContact CD1-CD2 3.91Å
194E88.3Confident91.1Very high181 Ų18161.8 Ų61.885%0.84631%0.312SS*.THydrogen-bonded Turntrans49.839.9-173.8-58.6-177.7175.200112.1I190I190-E194 WeakPolarHBondContact O-CA 3.29Å; I190-E194 PolarHBondContact O-N 2.78Å
195C86.9Confident91.4Very high26 Ų2660.9 Ų60.918%0.17631%0.307CS..  trans-123103.7-174.7-173.40000111.2I190 L193 N197 L201I190-C195 PolarHBondContact O-N 2.95Å; L193-C195 HydrophobicContact CB-CB 4.19Å; L193-C195 PolarHBondContact O-N 2.99Å; C195-N197 VanDerWaalsContact C-N 3.26Å; C195-N197 PolarHBondContact O-N 3.37Å; C195-L201 HydrophobicContact CB-CD1 4.45Å; C195-L201 HydrophobicContact CB-CD2 4.41Å; C195-L201 WeakPolarHBondContact O-CD1 3.36Å
196D88.9Confident91.7Very high140 Ų14063.7 Ų63.775%0.74932%0.321SS*.  trans-78-6.9-178.2-67.3-38.6000114.2R198D196-R198 VanDerWaalsContact C-N 3.31Å; D196-R198 PolarHBondContact O-N 3.25Å
197N92.1Very high91.8Very high85 Ų8565.6 Ų65.646%0.45533%0.33SS..  trans-78.978-178.1-167.8-16.7000111.8C195 A199 L200 L201C195-N197 VanDerWaalsContact C-N 3.26Å; C195-N197 PolarHBondContact O-N 3.37Å; N197-A199 VanDerWaalsContact C-N 3.26Å; N197-A199 PolarHBondContact O-N 2.93Å; N197-A199 PolarHBondContact OD1-N 2.91Å; N197-L200 HydrophobicContact CB-CB 4.02Å; N197-L200 VanDerWaalsContact CG-CB 3.4Å; N197-L200 PolarHBondContact O-N 3.3Å; N197-L200 VanDerWaalsContact O-N 3.14Å; N197-L200 WeakPolarHBondContact OD1-CB 3.45Å; N197-L200 PolarHBondContact OD1-N 2.84Å; N197-L200 VanDerWaalsContact OD1-N 3.08Å; N197-L201 PolarHBondContact O-N 2.86Å
198R93.7Very high92.1Very high144 Ų14462.6 Ų62.654%0.54331%0.314SS..Hα-helixtrans-52.6-40.3178.6-71.8-177178.1-158-10.8113.9D187 I190 D196 Q202D187-R198 IonicContact OD1-CZ 3.58Å; D187-R198 IonicContact OD1-NH2 2.66Å; D187-R198 PolarHBondContact OD1-NH2 3.14Å; I190-R198 HydrophobicContact CD1-CG 3.55Å; I190-R198 VanDerWaalsContact CD1-NE 3.26Å; I190-R198 HydrophobicContact CG1-CG 4.42Å; D196-R198 VanDerWaalsContact C-N 3.31Å; D196-R198 PolarHBondContact O-N 3.25Å; R198-Q202 WeakPolarHBondContact O-CB 3.24Å; R198-Q202 PolarHBondContact O-N 3.11Å
199A93.8Very high92.3Very high71 Ų7162.6 Ų62.659%0.58732%0.315SS*.Hα-helixtrans-65.4-44.3-179.300000110.9N197 Q202 V203N197-A199 VanDerWaalsContact C-N 3.26Å; N197-A199 PolarHBondContact O-N 2.93Å; N197-A199 PolarHBondContact OD1-N 2.91Å; A199-Q202 PolarHBondContact O-N 3.35Å; A199-V203 WeakPolarHBondContact O-CG2 3.35Å; A199-V203 PolarHBondContact O-N 2.9Å; A199-V203 VanDerWaalsContact O-N 3.11Å
200L93.3Very high92.5Very high39 Ų3969 Ų6920%0.20435%0.349CS..Hα-helixtrans-65.3-46.2176.7178.461.6000111.8E165 L168 N197 Q202 V203 Q204E165-L200 HydrophobicContact CG-CD1 4.04Å; L168-L200 HydrophobicContact CD2-CD2 3.57Å; L168-L200 HydrophobicContact CD2-CG 3.59Å; N197-L200 HydrophobicContact CB-CB 4.02Å; N197-L200 VanDerWaalsContact CG-CB 3.4Å; N197-L200 PolarHBondContact O-N 3.3Å; N197-L200 VanDerWaalsContact O-N 3.14Å; N197-L200 WeakPolarHBondContact OD1-CB 3.45Å; N197-L200 PolarHBondContact OD1-N 2.84Å; N197-L200 VanDerWaalsContact OD1-N 3.08Å; L200-Q202 VanDerWaalsContact C-N 3.29Å; L200-Q202 PolarHBondContact O-N 3Å; L200-V203 PolarHBondContact O-N 2.9Å; L200-Q204 HydrophobicContact CD1-CG 4.36Å; L200-Q204 WeakPolarHBondContact O-CG 3.44Å; L200-Q204 PolarHBondContact O-N 3.45Å
201L94.5Very high92.5Very high0 Ų074.2 Ų74.20%037%0.368CS..Hα-helixtrans-56.3-44.8175.4-71.7174000111.4L168 L172 M186 I190 L193 C195 N197 V203 Q204 L205L168-L201 HydrophobicContact CD1-CD2 3.86Å; L168-L201 HydrophobicContact CD2-CD2 4.04Å; L168-L201 HydrophobicContact CG-CD2 4.19Å; L172-L201 HydrophobicContact CD1-CD2 4.03Å; L172-L201 HydrophobicContact CD2-CD2 4.1Å; L172-L201 HydrophobicContact CG-CD2 4.26Å; M186-L201 HydrophobicContact SD-CB 4.07Å; M186-L201 HydrophobicContact SD-CD1 4.19Å; I190-L201 HydrophobicContact CG1-CD1 3.64Å; L193-L201 HydrophobicContact CD1-CD2 3.91Å; C195-L201 HydrophobicContact CB-CD1 4.45Å; C195-L201 HydrophobicContact CB-CD2 4.41Å; C195-L201 WeakPolarHBondContact O-CD1 3.36Å; N197-L201 PolarHBondContact O-N 2.86Å; L201-V203 VanDerWaalsContact C-N 3.34Å; L201-V203 PolarHBondContact O-N 2.78Å; L201-Q204 PolarHBondContact O-N 3.43Å; L201-L205 WeakPolarHBondContact O-CB 3.29Å; L201-L205 WeakPolarHBondContact O-CD1 3.46Å; L201-L205 VanDerWaalsContact O-CG 3.26Å; L201-L205 WeakPolarHBondContact O-CG 3.18Å; L201-L205 PolarHBondContact O-N 3.25Å
202Q95.4Very high92.6Very high73 Ų7369.4 Ų69.434%0.34136%0.355SS..Hα-helixtrans-61.6-41.1178.6-172.864.759.800112.3M186 R198 A199 L200 L205 N206M186-Q202 HydrophobicContact CE-CB 4.25Å; M186-Q202 VanDerWaalsContact CE-OE1 3.26Å; R198-Q202 WeakPolarHBondContact O-CB 3.24Å; R198-Q202 PolarHBondContact O-N 3.11Å; A199-Q202 PolarHBondContact O-N 3.35Å; L200-Q202 VanDerWaalsContact C-N 3.29Å; L200-Q202 PolarHBondContact O-N 3Å; Q202-L205 PolarHBondContact O-N 2.86Å; Q202-N206 PolarHBondContact NE2-OD1 3.03Å; Q202-N206 WeakPolarHBondContact O-CB 3.22Å; Q202-N206 PolarHBondContact O-N 3.22Å; Q202-N206 PolarHBondContact O-ND2 3Å; Q202-N206 PolarHBondContact O-OD1 3.44Å
203V95.7Very high92.8Very high78 Ų7867.4 Ų67.447%0.47334%0.344SS..Hα-helixtrans-62.3-46.7176.11720000110.6A199 L200 L201 L205 N206 E207A199-V203 WeakPolarHBondContact O-CG2 3.35Å; A199-V203 PolarHBondContact O-N 2.9Å; A199-V203 VanDerWaalsContact O-N 3.11Å; L200-V203 PolarHBondContact O-N 2.9Å; L201-V203 VanDerWaalsContact C-N 3.34Å; L201-V203 PolarHBondContact O-N 2.78Å; V203-L205 PolarHBondContact O-N 2.92Å; V203-N206 PolarHBondContact O-N 3Å; V203-E207 PolarHBondContact O-N 2.85Å; V203-E207 VanDerWaalsContact O-N 3.09Å
204Q96Very high93.2Very high9 Ų965.9 Ų65.94%0.04234%0.336CS..Hα-helixtrans-68.1-34.4179.8-60-42.9-51.900112.6E165 L168 R169 L172 L200 L201 E207 L208E165-Q204 PolarHBondContact O-OE1 3.06Å; L168-Q204 HydrophobicContact CD2-CG 4.17Å; L168-Q204 HydrophobicContact CG-CG 4.43Å; R169-Q204 HydrophobicContact CB-CB 4.25Å; R169-Q204 HydrophobicContact CB-CG 4.42Å; L172-Q204 HydrophobicContact CD1-CB 3.54Å; L172-Q204 HydrophobicContact CD1-CG 4.5Å; L200-Q204 HydrophobicContact CD1-CG 4.36Å; L200-Q204 WeakPolarHBondContact O-CG 3.44Å; L200-Q204 PolarHBondContact O-N 3.45Å; L201-Q204 PolarHBondContact O-N 3.43Å; Q204-E207 WeakPolarHBondContact O-CB 3.45Å; Q204-E207 PolarHBondContact O-N 3.23Å; Q204-L208 WeakPolarHBondContact O-CG 3.21Å; Q204-L208 PolarHBondContact O-N 2.79Å; Q204-L208 VanDerWaalsContact O-N 3.13Å
205L96.7Very high93.5Very high0 Ų060.1 Ų60.10%031%0.31CS..Hα-helixtrans-66.2-41.7173.7-76162.4000111.9L172 L176 M186 L189 L201 Q202 V203 E207 L208 V209 I214 F229L172-L205 HydrophobicContact CD1-CG 4.21Å; L172-L205 HydrophobicContact CD2-CD2 4.01Å; L172-L205 HydrophobicContact CD2-CG 4.21Å; L176-L205 HydrophobicContact CD1-CD2 3.9Å; M186-L205 HydrophobicContact CE-CD1 3.66Å; M186-L205 HydrophobicContact SD-CD1 4.3Å; L189-L205 HydrophobicContact CD1-CD1 3.85Å; L189-L205 HydrophobicContact CD1-CD2 3.99Å; L201-L205 WeakPolarHBondContact O-CB 3.29Å; L201-L205 WeakPolarHBondContact O-CD1 3.46Å; L201-L205 VanDerWaalsContact O-CG 3.26Å; L201-L205 WeakPolarHBondContact O-CG 3.18Å; L201-L205 PolarHBondContact O-N 3.25Å; Q202-L205 PolarHBondContact O-N 2.86Å; V203-L205 PolarHBondContact O-N 2.92Å; L205-E207 VanDerWaalsContact C-N 3.29Å; L205-E207 PolarHBondContact O-N 2.71Å; L205-L208 PolarHBondContact O-N 2.9Å; L205-L208 VanDerWaalsContact O-N 3.14Å; L205-V209 WeakPolarHBondContact O-CG2 3.47Å; L205-V209 PolarHBondContact O-N 3.3Å; L205-I214 HydrophobicContact CB-CD1 4.48Å; L205-I214 HydrophobicContact CD2-CD1 3.63Å; L205-F229 HydrophobicContact CB-CD1 4.31Å; L205-F229 HydrophobicContact CB-CE1 3.94Å; L205-F229 HydrophobicContact CB-CZ 4.45Å; L205-F229 HydrophobicContact CD1-CD1 4.28Å; L205-F229 HydrophobicContact CD1-CD2 4.11Å; L205-F229 HydrophobicContact CD1-CE1 3.89Å; L205-F229 HydrophobicContact CD1-CE2 3.75Å; L205-F229 HydrophobicContact CD1-CG 4.38Å; L205-F229 HydrophobicContact CD1-CZ 3.64Å; L205-F229 HydrophobicContact CD2-CB 4.36Å; L205-F229 HydrophobicContact CD2-CD1 3.83Å; L205-F229 HydrophobicContact CD2-CD2 4.34Å; L205-F229 HydrophobicContact CD2-CE1 4.2Å; L205-F229 HydrophobicContact CD2-CG 3.9Å; L205-F229 HydrophobicContact CG-CD1 4.37Å; L205-F229 HydrophobicContact CG-CE1 4.24Å; L205-F229 HydrophobicContact CG-CZ 4.47Å
206N96.3Very high93.8Very high70 Ų7062.9 Ų62.937%0.37432%0.322SS..Hα-helixtrans-60.8-41.5174.9-69.3-10000110.9Q202 V203 L208 V209 D210Q202-N206 PolarHBondContact NE2-OD1 3.03Å; Q202-N206 WeakPolarHBondContact O-CB 3.22Å; Q202-N206 PolarHBondContact O-N 3.22Å; Q202-N206 PolarHBondContact O-ND2 3Å; Q202-N206 PolarHBondContact O-OD1 3.44Å; V203-N206 PolarHBondContact O-N 3Å; N206-L208 VanDerWaalsContact C-N 3.3Å; N206-L208 PolarHBondContact O-N 2.97Å; N206-V209 WeakPolarHBondContact O-CB 3.17Å; N206-V209 PolarHBondContact O-N 3.42Å; N206-V209 VanDerWaalsContact O-N 3.08Å; N206-D210 VanDerWaalsContact O-CG 3.24Å; N206-D210 PolarHBondContact O-N 3.2Å
207E95.1Very high93.8Very high71 Ų7157.4 Ų57.433%0.33229%0.294SS..Hα-helixtrans-59.8-38.1173.5-82.6-131.7-163.500113.4R169 V203 Q204 L205 V209 D210 R211R169-E207 IonicContact CZ-OE2 3.49Å; R169-E207 IonicContact NH1-OE1 2.71Å; R169-E207 IonicContact NH1-OE2 3.02Å; R169-E207 PolarHBondContact NH1-OE2 2.88Å; V203-E207 PolarHBondContact O-N 2.85Å; V203-E207 VanDerWaalsContact O-N 3.09Å; Q204-E207 WeakPolarHBondContact O-CB 3.45Å; Q204-E207 PolarHBondContact O-N 3.23Å; L205-E207 VanDerWaalsContact C-N 3.29Å; L205-E207 PolarHBondContact O-N 2.71Å; E207-V209 VanDerWaalsContact C-N 3.34Å; E207-D210 PolarHBondContact O-N 3.47Å; E207-R211 VanDerWaalsContact O-CG 3.26Å; E207-R211 WeakPolarHBondContact O-CG 3.33Å; E207-R211 PolarHBondContact O-N 3.19Å; E207-R211 IonicContact OE2-NE 3.26Å; E207-R211 IonicContact OE2-NH2 2.65Å; E207-R211 PolarHBondContact OE2-NH2 3.3Å
208L94.8Very high93.7Very high0 Ų057.7 Ų57.70%030%0.3CS..Hα-helixtrans-69.6-31.8175-67.9176.3000112.3R169 L172 Q173 L176 Q204 L205 N206 D212 L213 I214R169-L208 HydrophobicContact CG-CD1 4.46Å; R169-L208 HydrophobicContact CG-CD2 3.75Å; R169-L208 HydrophobicContact CG-CG 3.95Å; L172-L208 HydrophobicContact CB-CD1 3.89Å; Q173-L208 HydrophobicContact CB-CD1 4.29Å; Q173-L208 HydrophobicContact CB-CD2 4.15Å; L176-L208 HydrophobicContact CD1-CD1 4.37Å; Q204-L208 WeakPolarHBondContact O-CG 3.21Å; Q204-L208 PolarHBondContact O-N 2.79Å; Q204-L208 VanDerWaalsContact O-N 3.13Å; L205-L208 PolarHBondContact O-N 2.9Å; L205-L208 VanDerWaalsContact O-N 3.14Å; N206-L208 VanDerWaalsContact C-N 3.3Å; N206-L208 PolarHBondContact O-N 2.97Å; L208-D212 PolarHBondContact O-N 2.88Å; L208-L213 HydrophobicContact CD2-CD1 3.9Å; L208-L213 WeakPolarHBondContact O-CB 3.38Å; L208-L213 PolarHBondContact O-N 3.34Å; L208-I214 HydrophobicContact CB-CD1 3.62Å; L208-I214 HydrophobicContact CB-CG1 3.75Å; L208-I214 HydrophobicContact CB-CG2 4.23Å; L208-I214 HydrophobicContact CD1-CD1 4.26Å; L208-I214 PolarHBondContact O-N 3.36Å
209V95.4Very high93.2Very high43 Ų4352.3 Ų52.326%0.26128%0.282SS..Hα-helixtrans-68.2-43.31721730000110.3L205 N206 E207 R211 D212 I214L205-V209 WeakPolarHBondContact O-CG2 3.47Å; L205-V209 PolarHBondContact O-N 3.3Å; N206-V209 WeakPolarHBondContact O-CB 3.17Å; N206-V209 PolarHBondContact O-N 3.42Å; N206-V209 VanDerWaalsContact O-N 3.08Å; E207-V209 VanDerWaalsContact C-N 3.34Å; V209-R211 PolarHBondContact O-N 3.48Å; V209-D212 WeakPolarHBondContact O-CA 3.39Å; V209-D212 PolarHBondContact O-N 2.77Å; V209-I214 HydrophobicContact CB-CG1 4.48Å; V209-I214 HydrophobicContact CG2-CD1 4.05Å; V209-I214 HydrophobicContact CG2-CG1 3.61Å
210D94.4Very high92.5Very high134 Ų13455.2 Ų55.272%0.71728%0.283SS*.Hα-helixtrans-64.9-31179.9-68-19.5000112N206 E207 D212N206-D210 VanDerWaalsContact O-CG 3.24Å; N206-D210 PolarHBondContact O-N 3.2Å; E207-D210 PolarHBondContact O-N 3.47Å; D210-D212 PolarHBondContact O-N 2.76Å
211R91Very high91.6Very high128 Ų12855.5 Ų55.548%0.48330%0.296SS..THydrogen-bonded Turntrans-793.3170.9-66.1171.3-170.5-133.2-5.7113.7E207 V209 L213E207-R211 VanDerWaalsContact O-CG 3.26Å; E207-R211 WeakPolarHBondContact O-CG 3.33Å; E207-R211 PolarHBondContact O-N 3.19Å; E207-R211 IonicContact OE2-NE 3.26Å; E207-R211 IonicContact OE2-NH2 2.65Å; E207-R211 PolarHBondContact OE2-NH2 3.3Å; V209-R211 PolarHBondContact O-N 3.48Å; R211-L213 HydrophobicContact CB-CD1 3.96Å; R211-L213 HydrophobicContact CB-CG 3.83Å; R211-L213 PolarHBondContact O-N 3.12Å; R211-L213 VanDerWaalsContact O-N 3.11Å
212D90.6Very high90.4Very high69 Ų6965.2 Ų65.237%0.36934%0.338SS..THydrogen-bonded Turntrans55.426.8-177-153.628.8000114.1L208 V209 D210 K232 H234L208-D212 PolarHBondContact O-N 2.88Å; V209-D212 WeakPolarHBondContact O-CA 3.39Å; V209-D212 PolarHBondContact O-N 2.77Å; D210-D212 PolarHBondContact O-N 2.76Å; D212-K232 VanDerWaalsContact OD1-CD 3.23Å; D212-K232 WeakPolarHBondContact OD1-CD 3.43Å; D212-K232 WeakPolarHBondContact OD1-CE 3.35Å; D212-K232 IonicContact OD1-NZ 2.74Å; D212-K232 PolarHBondContact OD1-NZ 3.39Å; D212-K232 IonicContact OD2-NZ 2.92Å; D212-K232 PolarHBondContact OD2-NZ 3.36Å; D212-H234 PolarHBondContact O-CE1 3.49Å; D212-H234 IonicContact OD2-CE1 3.11Å; D212-H234 PolarHBondContact OD2-CE1 2.93Å; D212-H234 IonicContact OD2-NE2 3.7Å; D212-H234 PolarHBondContact OD2-NE2 3.13Å; D212-H234 VanDerWaalsContact OD2-NE2 3.11Å
213L90.9Very high89.2Confident21 Ų2165.2 Ų65.211%0.1134%0.338CS..SBendtrans-84.9-32179.8-63.8177000111.2L208 R211 R231 K232 P467L208-L213 HydrophobicContact CD2-CD1 3.9Å; L208-L213 WeakPolarHBondContact O-CB 3.38Å; L208-L213 PolarHBondContact O-N 3.34Å; R211-L213 HydrophobicContact CB-CD1 3.96Å; R211-L213 HydrophobicContact CB-CG 3.83Å; R211-L213 PolarHBondContact O-N 3.12Å; R211-L213 VanDerWaalsContact O-N 3.11Å; L213-R231 VanDerWaalsContact O-CD 3.32Å; L213-R231 WeakPolarHBondContact O-CD 3.16Å; L213-R231 PolarHBondContact O-NH1 3.04Å; L213-K232 WeakPolarHBondContact O-CB 3.17Å; L213-K232 PolarHBondContact O-N 2.7Å; L213-P467 HydrophobicContact CD2-CB 3.59Å
214I94.3Very high88.4Confident1 Ų166.7 Ų66.71%0.00535%0.347CS..EExtended strand (participates in β ladder)trans-132.3161.7-17873.8174.3000110.1L176 L205 L208 V209 F229 R230L176-I214 HydrophobicContact CB-CG2 4.49Å; L176-I214 HydrophobicContact CD1-CB 4.49Å; L176-I214 HydrophobicContact CD1-CD1 3.83Å; L176-I214 HydrophobicContact CD1-CG2 3.8Å; L205-I214 HydrophobicContact CB-CD1 4.48Å; L205-I214 HydrophobicContact CD2-CD1 3.63Å; L208-I214 HydrophobicContact CB-CD1 3.62Å; L208-I214 HydrophobicContact CB-CG1 3.75Å; L208-I214 HydrophobicContact CB-CG2 4.23Å; L208-I214 HydrophobicContact CD1-CD1 4.26Å; L208-I214 PolarHBondContact O-N 3.36Å; V209-I214 HydrophobicContact CB-CG1 4.48Å; V209-I214 HydrophobicContact CG2-CD1 4.05Å; V209-I214 HydrophobicContact CG2-CG1 3.61Å; I214-F229 HydrophobicContact CD1-CB 4.38Å; I214-F229 HydrophobicContact CD1-CD1 4.06Å; I214-R230 CarbonylContact C-O 3.55Å; I214-R230 VanDerWaalsContact CA-O 3.29Å; I214-R230 WeakPolarHBondContact CA-O 2.98Å; I214-R230 WeakPolarHBondContact CB-O 3.39Å
215Q93.4Very high87.7Confident60 Ų6069.7 Ų69.728%0.2838%0.381SS..EExtended strand (participates in β ladder)trans-133151.4176.856.6169.456.100111.5V217 R230 K232Q215-V217 HydrophobicContact CG-CG2 4.46Å; Q215-R230 HydrophobicContact CG-CB 4.39Å; Q215-R230 PolarHBondContact N-O 3.2Å; Q215-R230 VanDerWaalsContact NE2-CZ 3.29Å; Q215-R230 PolarHBondContact O-N 2.93Å; Q215-K232 HydrophobicContact CG-CB 4.3Å
216L93.2Very high87.3Confident84 Ų8474.2 Ų74.244%0.4440%0.402SS..EExtended strand (participates in β ladder)trans-78133.2173.1-62.5173.7000109.9F227 G228 F229L216-F227 HydrophobicContact CB-CB 4.48Å; L216-F227 HydrophobicContact CB-CD1 3.89Å; L216-F227 HydrophobicContact CB-CG 4.45Å; L216-F227 HydrophobicContact CD2-CB 4.27Å; L216-G228 WeakPolarHBondContact CA-O 3.49Å; L216-F229 HydrophobicContact CD2-CD1 3.65Å; L216-F229 HydrophobicContact CD2-CE1 3.34Å; L216-F229 HydrophobicContact CD2-CZ 4.16Å
217V90.3Very high87Confident26 Ų2676.3 Ų76.316%0.15841%0.408CS..EExtended strand (participates in β ladder)trans-125.4123.9177-175.80000108.5V183 Q215 L219 F227 G228 R230V183-V217 HydrophobicContact CG1-CB 4.14Å; V183-V217 HydrophobicContact CG2-CB 3.92Å; V183-V217 HydrophobicContact CG2-CG1 3.89Å; V183-V217 HydrophobicContact CG2-CG2 4.08Å; Q215-V217 HydrophobicContact CG-CG2 4.46Å; V217-L219 PolarHBondContact O-N 3.38Å; V217-F227 WeakPolarHBondContact O-CA 3.33Å; V217-G228 PolarHBondContact N-O 3.43Å; V217-G228 PolarHBondContact O-N 3.24Å; V217-R230 HydrophobicContact CG2-CB 3.91Å
218P88.3Confident86.9Confident90 Ų9073 Ų7358%0.58439%0.392SS*.EExtended strand (participates in β ladder)trans-56.9131.1174-21.431000110.7F227P218-F227 HydrophobicContact CB-CE1 4.37Å; P218-F227 HydrophobicContact CG-CD1 4.31Å; P218-F227 HydrophobicContact CG-CE1 3.84Å
219L84.9Confident86.9Confident31 Ų3173.2 Ų73.216%0.16239%0.393CS..  trans-84143175.1-62.7177000110.3V183 V217 H223 Q226V183-L219 HydrophobicContact CG1-CD2 3.83Å; V217-L219 PolarHBondContact O-N 3.38Å; L219-H223 HydrophobicContact CB-CB 3.87Å; L219-H223 HydrophobicContact CD1-CB 3.84Å; L219-Q226 HydrophobicContact CD1-CB 4.16Å; L219-Q226 PolarHBondContact N-O 2.87Å
220E77.3Confident86.7Confident132 Ų13272.5 Ų72.562%0.61739%0.386SS*.  trans-105.3176.1174.6-59.7-174.3170.800110.8K222 S288E220-K222 PolarHBondContact O-N 3.22Å; E220-S288 WeakPolarHBondContact OE2-CB 3.36Å; E220-S288 PolarHBondContact OE2-OG 2.81Å
221G74.4Confident86.6Confident46 Ų4666.4 Ų66.447%0.47435%0.353SS..G310 helixtrans68.1-128.8178.500000114.3H223 V224G221-H223 PolarHBondContact O-N 3.44Å; G221-V224 WeakPolarHBondContact O-CG2 3.37Å; G221-V224 PolarHBondContact O-N 2.98Å
222K69.4Low86.5Confident203 Ų20362.9 Ų62.988%0.88334%0.341SS*.G310 helixtrans-65.5-18-174.8-69.5-176.4179.7176.80114.2E220E220-K222 PolarHBondContact O-N 3.22Å
223H71.9Confident86.1Confident73 Ų7361.3 Ų61.334%0.33833%0.332SS..G310 helixtrans-111.520.4-175.5-59.2-88000112.4L219 G221 G225 Q226L219-H223 HydrophobicContact CB-CB 3.87Å; L219-H223 HydrophobicContact CD1-CB 3.84Å; G221-H223 PolarHBondContact O-N 3.44Å; H223-G225 PolarHBondContact O-N 3.32Å; H223-Q226 HydrophobicContact CB-CB 4.46Å; H223-Q226 PolarHBondContact ND1-OE1 3.25Å; H223-Q226 VanDerWaalsContact O-CB 3.3Å; H223-Q226 WeakPolarHBondContact O-CB 3.46Å; H223-Q226 PolarHBondContact O-N 3.21Å
224V77.1Confident85.3Confident110 Ų11065.2 Ų65.267%0.66735%0.349SS*.THydrogen-bonded Turntrans-52.6128.3176.5167.50000110.6G221G221-V224 WeakPolarHBondContact O-CG2 3.37Å; G221-V224 PolarHBondContact O-N 2.98Å
225G82Confident84.1Confident72 Ų7266.7 Ų66.774%0.74236%0.357SS*.THydrogen-bonded Turntrans95.5-6.4-175.200000114.5H223H223-G225 PolarHBondContact O-N 3.32Å
226Q88.5Confident82.6Confident95 Ų9569.9 Ų69.944%0.44437%0.372SS..  trans-101.3162.9172-56.5178.614.500110.9L219 H223L219-Q226 HydrophobicContact CD1-CB 4.16Å; L219-Q226 PolarHBondContact N-O 2.87Å; H223-Q226 HydrophobicContact CB-CB 4.46Å; H223-Q226 PolarHBondContact ND1-OE1 3.25Å; H223-Q226 VanDerWaalsContact O-CB 3.3Å; H223-Q226 WeakPolarHBondContact O-CB 3.46Å; H223-Q226 PolarHBondContact O-N 3.21Å
227F90.7Very high81Confident114 Ų11473.7 Ų73.750%0.539%0.393SS..EExtended strand (participates in β ladder)trans-113.2141.5173.3-70.5-92.3000110.1L216 V217 P218L216-F227 HydrophobicContact CB-CB 4.48Å; L216-F227 HydrophobicContact CB-CD1 3.89Å; L216-F227 HydrophobicContact CB-CG 4.45Å; L216-F227 HydrophobicContact CD2-CB 4.27Å; V217-F227 WeakPolarHBondContact O-CA 3.33Å; P218-F227 HydrophobicContact CB-CE1 4.37Å; P218-F227 HydrophobicContact CG-CD1 4.31Å; P218-F227 HydrophobicContact CG-CE1 3.84Å
228G91.9Very high80.1Confident0 Ų073.8 Ų73.80%039%0.392CS..EExtended strand (participates in β ladder)trans-106.2177.2163.800000110.8L184 L216 V217L184-G228 CarbonylContact O-C 3.53Å; L184-G228 VanDerWaalsContact O-CA 3.27Å; L184-G228 WeakPolarHBondContact O-CA 3.48Å; L216-G228 WeakPolarHBondContact CA-O 3.49Å; V217-G228 PolarHBondContact N-O 3.43Å; V217-G228 PolarHBondContact O-N 3.24Å
229F94.2Very high79.3Confident5 Ų573.1 Ų73.12%0.02239%0.386CS..EExtended strand (participates in β ladder)trans-120134.8-173.4-53.6-88.7000109.3L176 V183 L184 M186 L189 L205 I214 L216L176-F229 HydrophobicContact CD1-CB 4.37Å; L176-F229 HydrophobicContact CD2-CB 3.75Å; L176-F229 WeakPolarHBondContact CD2-O 3.46Å; V183-F229 WeakPolarHBondContact CA-O 3.39Å; L184-F229 PolarHBondContact N-O 3.39Å; L184-F229 PolarHBondContact O-N 2.92Å; M186-F229 HydrophobicContact CB-CE2 4.48Å; M186-F229 HydrophobicContact CE-CE2 4.2Å; M186-F229 HydrophobicContact CE-CZ 4.2Å; L189-F229 HydrophobicContact CD1-CD2 3.83Å; L189-F229 HydrophobicContact CD1-CE2 4.39Å; L189-F229 HydrophobicContact CD1-CG 4.47Å; L205-F229 HydrophobicContact CB-CD1 4.31Å; L205-F229 HydrophobicContact CB-CE1 3.94Å; L205-F229 HydrophobicContact CB-CZ 4.45Å; L205-F229 HydrophobicContact CD1-CD1 4.28Å; L205-F229 HydrophobicContact CD1-CD2 4.11Å; L205-F229 HydrophobicContact CD1-CE1 3.89Å; L205-F229 HydrophobicContact CD1-CE2 3.75Å; L205-F229 HydrophobicContact CD1-CG 4.38Å; L205-F229 HydrophobicContact CD1-CZ 3.64Å; L205-F229 HydrophobicContact CD2-CB 4.36Å; L205-F229 HydrophobicContact CD2-CD1 3.83Å; L205-F229 HydrophobicContact CD2-CD2 4.34Å; L205-F229 HydrophobicContact CD2-CE1 4.2Å; L205-F229 HydrophobicContact CD2-CG 3.9Å; L205-F229 HydrophobicContact CG-CD1 4.37Å; L205-F229 HydrophobicContact CG-CE1 4.24Å; L205-F229 HydrophobicContact CG-CZ 4.47Å; I214-F229 HydrophobicContact CD1-CB 4.38Å; I214-F229 HydrophobicContact CD1-CD1 4.06Å; L216-F229 HydrophobicContact CD2-CD1 3.65Å; L216-F229 HydrophobicContact CD2-CE1 3.34Å; L216-F229 HydrophobicContact CD2-CZ 4.16Å
230R92.2Very high79Confident28 Ų2875.3 Ų75.311%0.10640%0.4CS..EExtended strand (participates in β ladder)trans-132.9139.8177.5-175.2175.873.6-169.613.2109.9P181 V183 I214 Q215 V217 K232 Y286P181-R230 WeakPolarHBondContact O-CD 3.1Å; V183-R230 HydrophobicContact CG2-CB 4.24Å; I214-R230 CarbonylContact C-O 3.55Å; I214-R230 VanDerWaalsContact CA-O 3.29Å; I214-R230 WeakPolarHBondContact CA-O 2.98Å; I214-R230 WeakPolarHBondContact CB-O 3.39Å; Q215-R230 HydrophobicContact CG-CB 4.39Å; Q215-R230 PolarHBondContact N-O 3.2Å; Q215-R230 VanDerWaalsContact NE2-CZ 3.29Å; Q215-R230 PolarHBondContact O-N 2.93Å; V217-R230 HydrophobicContact CG2-CB 3.91Å; R230-K232 PolarHBondContact O-N 3Å; R230-Y286 PolarHBondContact NH2-OH 2.82Å
231R92.5Very high79.1Confident7 Ų775.7 Ų75.73%0.02640%0.396CS..EExtended strand (participates in β ladder)trans-57.5124.9169.4-171.867.9169.3108-10.5110.5E177 Y180 L213 I233 L267E177-R231 HydrophobicContact CG-CG 4.02Å; E177-R231 VanDerWaalsContact CG-NE 3.27Å; E177-R231 IonicContact OE1-CZ 3.45Å; E177-R231 VanDerWaalsContact OE1-CZ 3.3Å; E177-R231 IonicContact OE1-NE 3.93Å; E177-R231 PolarHBondContact OE1-NE 3.31Å; E177-R231 IonicContact OE1-NH2 2.7Å; E177-R231 PolarHBondContact OE1-NH2 3.42Å; Y180-R231 HydrophobicContact CD2-CB 4.02Å; L213-R231 VanDerWaalsContact O-CD 3.32Å; L213-R231 WeakPolarHBondContact O-CD 3.16Å; L213-R231 PolarHBondContact O-NH1 3.04Å; R231-I233 HydrophobicContact CG-CG1 4.3Å; R231-L267 HydrophobicContact CG-CD2 3.87Å
232K88.4Confident79.2Confident54 Ų5479 Ų7924%0.23540%0.399CS..  trans-90.5131.9171.5-165.7-175.4-177.2-158.80107.8D212 L213 Q215 R230 H234D212-K232 VanDerWaalsContact OD1-CD 3.23Å; D212-K232 WeakPolarHBondContact OD1-CD 3.43Å; D212-K232 WeakPolarHBondContact OD1-CE 3.35Å; D212-K232 IonicContact OD1-NZ 2.74Å; D212-K232 PolarHBondContact OD1-NZ 3.39Å; D212-K232 IonicContact OD2-NZ 2.92Å; D212-K232 PolarHBondContact OD2-NZ 3.36Å; L213-K232 WeakPolarHBondContact O-CB 3.17Å; L213-K232 PolarHBondContact O-N 2.7Å; Q215-K232 HydrophobicContact CG-CB 4.3Å; R230-K232 PolarHBondContact O-N 3Å; K232-H234 WeakPolarHBondContact CE-NE2 3.43Å; K232-H234 PolarHBondContact NZ-NE2 2.63Å
233I81.9Confident79.4Confident35 Ų3569.9 Ų69.918%0.17936%0.36CS..  trans-121.4122.7177.9-52.3-175.9000108.6Y180 R231 L235 L267 L271Y180-I233 HydrophobicContact CD1-CD1 3.87Å; Y180-I233 HydrophobicContact CD2-CD1 3.82Å; Y180-I233 HydrophobicContact CD2-CG1 4.2Å; Y180-I233 HydrophobicContact CE1-CD1 3.43Å; Y180-I233 VanDerWaalsContact CE1-CD1 3.43Å; Y180-I233 HydrophobicContact CE2-CD1 3.39Å; Y180-I233 HydrophobicContact CE2-CG1 3.78Å; Y180-I233 HydrophobicContact CG-CD1 4.06Å; R231-I233 HydrophobicContact CG-CG1 4.3Å; I233-L235 HydrophobicContact CB-CG 4.39Å; I233-L235 HydrophobicContact CG2-CD2 3.55Å; I233-L235 HydrophobicContact CG2-CG 3.75Å; I233-L235 PolarHBondContact O-N 3.47Å; I233-L267 HydrophobicContact CD1-CD1 3.41Å; I233-L267 VanDerWaalsContact CD1-CD1 3.41Å; I233-L267 HydrophobicContact CD1-CD2 4.1Å; I233-L267 HydrophobicContact CD1-CG 4.39Å; I233-L267 HydrophobicContact CG1-CD2 4.47Å; I233-L271 HydrophobicContact CG2-CD2 4.18Å
234H73.9Confident79.2Confident103 Ų10374.5 Ų74.548%0.47738%0.379SS..  trans-87.897.1171.5-64.1100.3000109D212 K232 Q236D212-H234 PolarHBondContact O-CE1 3.49Å; D212-H234 IonicContact OD2-CE1 3.11Å; D212-H234 PolarHBondContact OD2-CE1 2.93Å; D212-H234 IonicContact OD2-NE2 3.7Å; D212-H234 PolarHBondContact OD2-NE2 3.13Å; D212-H234 VanDerWaalsContact OD2-NE2 3.11Å; K232-H234 WeakPolarHBondContact CE-NE2 3.43Å; K232-H234 PolarHBondContact NZ-NE2 2.63Å; H234-Q236 PolarHBondContact O-N 3.06Å
235L68.9Low78.6Confident33 Ų3371.5 Ų71.517%0.17337%0.37CS..  trans-86.291.2-178.8-77178000108.7I233 H238 V240 L271 T282I233-L235 HydrophobicContact CB-CG 4.39Å; I233-L235 HydrophobicContact CG2-CD2 3.55Å; I233-L235 HydrophobicContact CG2-CG 3.75Å; I233-L235 PolarHBondContact O-N 3.47Å; L235-H238 WeakPolarHBondContact CB-CE1 3.22Å; L235-H238 WeakPolarHBondContact CB-NE2 3.31Å; L235-H238 WeakPolarHBondContact CD1-NE2 3.47Å; L235-H238 WeakPolarHBondContact CD2-CE1 3.36Å; L235-H238 WeakPolarHBondContact CD2-NE2 3.27Å; L235-V240 HydrophobicContact CB-CG2 4.04Å; L235-V240 HydrophobicContact CD1-CG2 3.6Å; L235-V240 HydrophobicContact CG-CG2 4.42Å; L235-L271 HydrophobicContact CD2-CD2 4.21Å; L235-T282 HydrophobicContact CD1-CG2 3.95Å
236Q62Low77.6Confident126 Ų12670.7 Ų70.759%0.58936%0.356SS*.THydrogen-bonded Turntrans-64.4143.3176.6-62.1-170.412.800110.7H234 H238H234-Q236 PolarHBondContact O-N 3.06Å; Q236-H238 VanDerWaalsContact C-N 3.33Å; Q236-H238 PolarHBondContact O-N 3.18Å; Q236-H238 PolarHBondContact O-ND1 3.44Å
237N60.7Low76.2Confident164 Ų16471.4 Ų71.488%0.87736%0.364SS*.THydrogen-bonded Turntrans59.326.3170.8-57.4-30.4000117.1
238H71.3Confident74.9Confident29 Ų2970 Ų7013%0.13436%0.358CS..SBendtrans-152.8158.6171.463.9-79000115.4L235 Q236 K280 T282L235-H238 WeakPolarHBondContact CB-CE1 3.22Å; L235-H238 WeakPolarHBondContact CB-NE2 3.31Å; L235-H238 WeakPolarHBondContact CD1-NE2 3.47Å; L235-H238 WeakPolarHBondContact CD2-CE1 3.36Å; L235-H238 WeakPolarHBondContact CD2-NE2 3.27Å; Q236-H238 VanDerWaalsContact C-N 3.33Å; Q236-H238 PolarHBondContact O-N 3.18Å; Q236-H238 PolarHBondContact O-ND1 3.44Å; H238-K280 HydrophobicContact CB-CD 4.45Å; H238-K280 HydrophobicContact CB-CG 3.58Å; H238-K280 VanDerWaalsContact CB-O 3.31Å; H238-K280 WeakPolarHBondContact CB-O 3.48Å; H238-K280 WeakPolarHBondContact ND1-CE 3.33Å; H238-T282 PolarHBondContact CD2-OG1 3.18Å; H238-T282 VanDerWaalsContact CD2-OG1 3.24Å; H238-T282 PolarHBondContact NE2-OG1 3.36Å; H238-T282 VanDerWaalsContact NE2-OG1 3.15Å
239V72.2Confident73.8Confident76 Ų7671.6 Ų71.646%0.46137%0.366SS..EExtended strand (participates in β ladder)trans-81.5124.7-174-176.20000109.9R241 T281 T282V239-R241 HydrophobicContact CG1-CG 3.9Å; V239-T281 HydrophobicContact CB-CG2 4.26Å; V239-T281 HydrophobicContact CG1-CG2 4.49Å; V239-T281 WeakPolarHBondContact O-CA 3.4Å; V239-T282 PolarHBondContact O-N 2.94Å
240V76.8Confident72.6Confident76 Ų7677.5 Ų77.546%0.46139%0.394SS..EExtended strand (participates in β ladder)trans-100123.4170.4-1750000109L235 T282 V284L235-V240 HydrophobicContact CB-CG2 4.04Å; L235-V240 HydrophobicContact CD1-CG2 3.6Å; L235-V240 HydrophobicContact CG-CG2 4.42Å; V240-T282 CarbonylContact C-O 3.52Å; V240-T282 WeakPolarHBondContact CA-O 3.45Å; V240-V284 HydrophobicContact CG1-CG2 4.28Å
241R79.5Confident71.5Confident140 Ų14081.9 Ų81.953%0.52842%0.415SS..EExtended strand (participates in β ladder)trans-117.9119.6177.4-63.5-172.3178.9-178.13.3110V239 M243 T281 T282 F283 V284V239-R241 HydrophobicContact CG1-CG 3.9Å; R241-M243 PolarHBondContact O-N 3.37Å; R241-T281 HydrophobicContact CG-CG2 4.21Å; R241-T282 PolarHBondContact N-O 2.99Å; R241-F283 HydrophobicContact CB-CD1 3.82Å; R241-F283 HydrophobicContact CB-CE1 4.13Å; R241-F283 HydrophobicContact CG-CE1 4.41Å; R241-F283 VanDerWaalsContact O-CA 3.31Å; R241-F283 WeakPolarHBondContact O-CA 3.41Å; R241-V284 PolarHBondContact O-N 2.84Å
242E78.2Confident70.6Confident116 Ų11682.1 Ų82.154%0.54242%0.418SS..EExtended strand (participates in β ladder)trans-78.3120.6169.7-169.4-178.5171.300109.7K244 V284 Y286E242-K244 PolarHBondContact O-N 3.05Å; E242-V284 CarbonylContact C-O 3.6Å; E242-V284 WeakPolarHBondContact CA-O 3.03Å; E242-Y286 HydrophobicContact CG-CD2 3.94Å; E242-Y286 HydrophobicContact CG-CE2 4.21Å
243M73.1Confident69.6Low12 Ų1280.3 Ų80.36%0.05941%0.412CS..  trans-84.6114.1178.8-69.8-167.1178.800110.8R241 M249 V252 F283 V284 R285R241-M243 PolarHBondContact O-N 3.37Å; M243-M249 HydrophobicContact SD-CB 4.29Å; M243-V252 HydrophobicContact CE-CB 4.25Å; M243-V252 HydrophobicContact CE-CG1 4.45Å; M243-V252 HydrophobicContact CE-CG2 3.89Å; M243-F283 HydrophobicContact CE-CB 3.33Å; M243-F283 HydrophobicContact CE-CD1 3.36Å; M243-F283 HydrophobicContact CE-CD2 4.24Å; M243-F283 HydrophobicContact CE-CE1 4.16Å; M243-F283 HydrophobicContact CE-CG 3.39Å; M243-F283 HydrophobicContact CG-CB 4.14Å; M243-F283 HydrophobicContact CG-CD1 4.19Å; M243-F283 HydrophobicContact SD-CB 4.23Å; M243-V284 PolarHBondContact N-O 3.23Å; M243-R285 HydrophobicContact CB-CB 4.29Å
244K68.3Low69.1Low169 Ų16983.3 Ų83.374%0.73543%0.432SS*.  trans-94.3121.9169.6-62.5-174.9-179.2-177.50109.9E242E242-K244 PolarHBondContact O-N 3.05Å
245G63.2Low69.2Low47 Ų4782.5 Ų82.549%0.48544%0.438SS..SBendtrans88.1164.2176.900000115.6
246A62.2Low69.7Low55 Ų5583.9 Ų83.946%0.45544%0.444SS..SBendtrans-77.9-30.9-173.700000114.2H248A246-H248 VanDerWaalsContact C-N 3.32Å; A246-H248 PolarHBondContact O-N 2.92Å
247N59.3Low71Confident111 Ų11181.8 Ų81.859%0.59443%0.433SS*.THydrogen-bonded Turntrans-77.7-14.6-172-67.30.7000113.8M249 Q250 Q251N247-M249 VanDerWaalsContact C-N 3.27Å; N247-M249 PolarHBondContact O-N 3.37Å; N247-Q250 WeakPolarHBondContact O-CB 3.48Å; N247-Q250 PolarHBondContact O-N 2.87Å; N247-Q251 PolarHBondContact O-N 3.15Å
248H63.2Low72.5Confident84 Ų8474 Ų7439%0.38939%0.391SS..Hα-helixtrans-67.7-31.6-176-138.13.2000112.1A246 Q250 Q251 V252A246-H248 VanDerWaalsContact C-N 3.32Å; A246-H248 PolarHBondContact O-N 2.92Å; H248-Q250 VanDerWaalsContact C-N 3.33Å; H248-Q250 PolarHBondContact O-N 3.36Å; H248-Q251 PolarHBondContact CE1-OE1 3.43Å; H248-Q251 PolarHBondContact ND1-OE1 3.27Å; H248-Q251 PolarHBondContact O-N 2.94Å; H248-V252 WeakPolarHBondContact O-CG2 3.44Å; H248-V252 PolarHBondContact O-N 2.91Å
249M68.6Low73.7Confident34 Ų3473.5 Ų73.517%0.16739%0.39CS..Hα-helixtrans-67.4-33.9176.5-166.7168.765.100112.1M243 N247 S253 Y295 A333 F334M243-M249 HydrophobicContact SD-CB 4.29Å; N247-M249 VanDerWaalsContact C-N 3.27Å; N247-M249 PolarHBondContact O-N 3.37Å; M249-S253 VanDerWaalsContact O-CB 3.24Å; M249-S253 WeakPolarHBondContact O-CB 3.45Å; M249-S253 PolarHBondContact O-N 3.31Å; M249-Y295 HydrophobicContact SD-CD2 4.38Å; M249-Y295 HydrophobicContact SD-CE2 3.65Å; M249-A333 HydrophobicContact CE-CB 3.72Å; M249-A333 HydrophobicContact CG-CB 4.24Å; M249-A333 HydrophobicContact SD-CB 4.24Å; M249-F334 HydrophobicContact CG-CE2 4.28Å; M249-F334 HydrophobicContact CG-CZ 4.37Å
250Q67.6Low74.9Confident129 Ų12969.9 Ų69.960%0.60337%0.368SS*.Hα-helixtrans-64.7-44.3172.9-70.8178-20.200110.7N247 H248 V252 S253 T254N247-Q250 WeakPolarHBondContact O-CB 3.48Å; N247-Q250 PolarHBondContact O-N 2.87Å; H248-Q250 VanDerWaalsContact C-N 3.33Å; H248-Q250 PolarHBondContact O-N 3.36Å; Q250-V252 PolarHBondContact O-N 3.45Å; Q250-S253 WeakPolarHBondContact O-CB 3.48Å; Q250-S253 PolarHBondContact O-N 3.04Å; Q250-T254 PolarHBondContact O-N 2.97Å; Q250-T254 PolarHBondContact O-OG1 3.41Å
251Q69.2Low75.9Confident119 Ų11966.3 Ų66.356%0.55635%0.346SS*.Hα-helixtrans-61.1-46.6177.8-68175.1-13.700112.4N247 H248 S253 T254 S255N247-Q251 PolarHBondContact O-N 3.15Å; H248-Q251 PolarHBondContact CE1-OE1 3.43Å; H248-Q251 PolarHBondContact ND1-OE1 3.27Å; H248-Q251 PolarHBondContact O-N 2.94Å; Q251-S253 VanDerWaalsContact C-N 3.32Å; Q251-S253 PolarHBondContact O-N 3.19Å; Q251-T254 PolarHBondContact O-N 3.37Å; Q251-S255 PolarHBondContact O-N 2.93Å; Q251-S255 PolarHBondContact O-OG 2.65Å
252V73.6Confident76.8Confident12 Ų1259.6 Ų59.67%0.07332%0.321CS..Hα-helixtrans-63.4-40.2176.8174.20000110.9M243 H248 Q250 S255 E256 F283 I297M243-V252 HydrophobicContact CE-CB 4.25Å; M243-V252 HydrophobicContact CE-CG1 4.45Å; M243-V252 HydrophobicContact CE-CG2 3.89Å; H248-V252 WeakPolarHBondContact O-CG2 3.44Å; H248-V252 PolarHBondContact O-N 2.91Å; Q250-V252 PolarHBondContact O-N 3.45Å; V252-S255 PolarHBondContact O-N 3.21Å; V252-S255 PolarHBondContact O-OG 2.86Å; V252-E256 HydrophobicContact CG1-CG 4Å; V252-E256 WeakPolarHBondContact O-CB 3.43Å; V252-E256 WeakPolarHBondContact O-CG 3.3Å; V252-E256 PolarHBondContact O-N 3.34Å; V252-F283 HydrophobicContact CG1-CD2 4.43Å; V252-F283 HydrophobicContact CG1-CE1 4.21Å; V252-F283 HydrophobicContact CG1-CE2 3.85Å; V252-F283 HydrophobicContact CG1-CZ 3.71Å; V252-F283 HydrophobicContact CG2-CD1 4.3Å; V252-F283 HydrophobicContact CG2-CE1 3.7Å; V252-F283 HydrophobicContact CG2-CZ 3.98Å; V252-I297 HydrophobicContact CG1-CD1 3.48Å; V252-I297 VanDerWaalsContact CG1-CD1 3.48Å
253S68.5Low77.7Confident17 Ų1754.1 Ų54.112%0.11930%0.295CS..Hα-helixtrans-60.2-45.8174.9176.50000112M249 Q250 Q251 S255 K257 A333M249-S253 VanDerWaalsContact O-CB 3.24Å; M249-S253 WeakPolarHBondContact O-CB 3.45Å; M249-S253 PolarHBondContact O-N 3.31Å; Q250-S253 WeakPolarHBondContact O-CB 3.48Å; Q250-S253 PolarHBondContact O-N 3.04Å; Q251-S253 VanDerWaalsContact C-N 3.32Å; Q251-S253 PolarHBondContact O-N 3.19Å; S253-S255 VanDerWaalsContact C-N 3.35Å; S253-S255 PolarHBondContact O-N 3.21Å; S253-K257 WeakPolarHBondContact O-CG 3.36Å; S253-K257 PolarHBondContact O-N 3.47Å; S253-K257 VanDerWaalsContact O-N 3.08Å; S253-A333 VanDerWaalsContact CB-O 3.27Å; S253-A333 WeakPolarHBondContact CB-O 3.24Å; S253-A333 PolarHBondContact OG-O 3.11Å
254T70.8Confident78.9Confident98 Ų9853.5 Ų53.560%0.60129%0.292SS*.Hα-helixtrans-65.3-36.8179.3-50.70000112.5Q250 Q251 K257Q250-T254 PolarHBondContact O-N 2.97Å; Q250-T254 PolarHBondContact O-OG1 3.41Å; Q251-T254 PolarHBondContact O-N 3.37Å; T254-K257 WeakPolarHBondContact O-CE 3.26Å; T254-K257 WeakPolarHBondContact O-CG 3.44Å
255S75.2Confident80.1Confident86 Ų8646.2 Ų46.260%0.60126%0.261SS*.Hα-helixtrans-82.5-37.3-177.462.90000114.1Q251 V252 S253Q251-S255 PolarHBondContact O-N 2.93Å; Q251-S255 PolarHBondContact O-OG 2.65Å; V252-S255 PolarHBondContact O-N 3.21Å; V252-S255 PolarHBondContact O-OG 2.86Å; S253-S255 VanDerWaalsContact C-N 3.35Å; S253-S255 PolarHBondContact O-N 3.21Å
256E81.1Confident81.5Confident62 Ų6244.9 Ų44.929%0.2924%0.243SC..Hα-helixtrans-97.3-29.3-171.2-60.8-69.9158.700113.4V252 I297 K304V252-E256 HydrophobicContact CG1-CG 4Å; V252-E256 WeakPolarHBondContact O-CB 3.43Å; V252-E256 WeakPolarHBondContact O-CG 3.3Å; V252-E256 PolarHBondContact O-N 3.34Å; E256-I297 HydrophobicContact CB-CD1 4.18Å; E256-I297 HydrophobicContact CB-CG2 4.02Å; E256-I297 HydrophobicContact CG-CD1 4.21Å; E256-I297 HydrophobicContact CG-CG2 4.25Å; E256-K304 WeakPolarHBondContact O-CE 3.18Å; E256-K304 WeakPolarHBondContact O-CG 3.42Å; E256-K304 WeakPolarHBondContact OE2-CE 3.42Å; E256-K304 IonicContact OE2-NZ 3.63Å; E256-K304 PolarHBondContact OE2-NZ 2.92Å
257K87.8Confident82.9Confident82 Ų8242.5 Ų42.536%0.35722%0.222SC..  trans37.459.2177.5-60.3-176.7-178.7-1800115.5S253 T254 A336S253-K257 WeakPolarHBondContact O-CG 3.36Å; S253-K257 PolarHBondContact O-N 3.47Å; S253-K257 VanDerWaalsContact O-N 3.08Å; T254-K257 WeakPolarHBondContact O-CE 3.26Å; T254-K257 WeakPolarHBondContact O-CG 3.44Å; K257-A336 HydrophobicContact CB-CB 4.32Å
258P93.5Very high84.5Confident0 Ų037.7 Ų37.70%020%0.197CC..  trans-61.8140.2174.128.9-35.7000111.6K304 I306 F334 A336 V337P258-K304 WeakPolarHBondContact CA-O 3.26Å; P258-K304 HydrophobicContact CB-CG 4.12Å; P258-I306 HydrophobicContact CB-CB 3.99Å; P258-I306 HydrophobicContact CB-CG2 3.9Å; P258-I306 HydrophobicContact CG-CB 3.92Å; P258-I306 HydrophobicContact CG-CG2 3.77Å; P258-F334 HydrophobicContact CG-CB 4.26Å; P258-F334 HydrophobicContact CG-CD1 3.5Å; P258-F334 VanDerWaalsContact CG-CD1 3.5Å; P258-F334 HydrophobicContact CG-CE1 4.07Å; P258-F334 HydrophobicContact CG-CG 4.06Å; P258-A336 CarbonylContact O-C 3.5Å; P258-V337 PolarHBondContact O-N 2.82Å
259T95.2Very high86.1Confident19 Ų1933.9 Ų33.912%0.11718%0.18CC..SBendtrans-102.7-10.7178.663.60000113.1K304 A336 V337 Q338 H339T259-K304 PolarHBondContact N-O 3.28Å; T259-A336 WeakPolarHBondContact CA-O 3.39Å; T259-V337 WeakPolarHBondContact O-CA 3.49Å; T259-Q338 PolarHBondContact O-N 3.17Å; T259-H339 PolarHBondContact O-N 3.23Å
260I97.7Very high87.3Confident0 Ų032.4 Ų32.40%017%0.173CC..EExtended strand (participates in β ladder)trans-125.9126.2179.9-53.1178.9000109.3I262 H303 K304 V305 I306 H339 F341 I595 L598I260-I262 HydrophobicContact CG2-CG1 4.34Å; I260-H303 HydrophobicContact CD1-CB 3.71Å; I260-K304 PolarHBondContact N-O 2.89Å; I260-V305 HydrophobicContact CB-CB 4.27Å; I260-V305 HydrophobicContact CB-CG1 3.92Å; I260-V305 HydrophobicContact CD1-CG1 4.15Å; I260-V305 HydrophobicContact CG1-CG1 4.45Å; I260-V305 HydrophobicContact CG2-CG1 4.41Å; I260-V305 CarbonylContact O-C 3.5Å; I260-V305 WeakPolarHBondContact O-CA 3.24Å; I260-I306 PolarHBondContact O-N 2.91Å; I260-H339 WeakPolarHBondContact CA-O 3.4Å; I260-H339 HydrophobicContact CG1-CB 4.39Å; I260-H339 HydrophobicContact CG2-CB 4.47Å; I260-F341 HydrophobicContact CG2-CD2 3.52Å; I260-F341 HydrophobicContact CG2-CE2 3.64Å; I260-I595 HydrophobicContact CD1-CG1 4.3Å; I260-I595 HydrophobicContact CD1-CG2 3.83Å; I260-I595 HydrophobicContact CG2-CD1 4.37Å; I260-L598 HydrophobicContact CD1-CD1 3.49Å; I260-L598 VanDerWaalsContact CD1-CD1 3.49Å; I260-L598 HydrophobicContact CG1-CD1 4.45Å
261A97.9Very high88.6Confident0 Ų027.5 Ų27.50%015%0.15CC..EExtended strand (participates in β ladder)trans-101.7136.2170.300000110.6I306 L330 L331 V337 H339 V340 F341A261-I306 CarbonylContact C-O 3.57Å; A261-I306 WeakPolarHBondContact CA-O 3.45Å; A261-I306 HydrophobicContact CB-CG2 4.13Å; A261-L330 HydrophobicContact CB-CD2 4.13Å; A261-L331 HydrophobicContact CB-CD2 4.13Å; A261-V337 HydrophobicContact CB-CG1 3.72Å; A261-V337 HydrophobicContact CB-CG2 4.14Å; A261-H339 PolarHBondContact N-O 3.27Å; A261-V340 HydrophobicContact CB-CG2 4.41Å; A261-V340 CarbonylContact O-C 3.48Å; A261-V340 WeakPolarHBondContact O-CA 3.37Å; A261-F341 PolarHBondContact O-N 3.18Å
262I98.6Very high89.8Confident0 Ų021.9 Ų21.90%012%0.124CC..EExtended strand (participates in β ladder)trans-121.4115176.2-52.7160.5000107.9I260 V273 I300 V305 I306 S307 T308 F341 V343 M591 I595I260-I262 HydrophobicContact CG2-CG1 4.34Å; I262-V273 HydrophobicContact CB-CG1 4.1Å; I262-V273 HydrophobicContact CD1-CG1 3.93Å; I262-V273 HydrophobicContact CG2-CB 4.39Å; I262-V273 HydrophobicContact CG2-CG1 3.6Å; I262-V273 HydrophobicContact CG2-CG2 3.87Å; I262-I300 HydrophobicContact CD1-CD1 4.07Å; I262-V305 HydrophobicContact CD1-CB 4.13Å; I262-V305 HydrophobicContact CD1-CG2 4.05Å; I262-I306 PolarHBondContact N-O 3.42Å; I262-S307 CarbonylContact O-C 3.54Å; I262-S307 WeakPolarHBondContact O-CA 3.2Å; I262-T308 PolarHBondContact O-N 3.18Å; I262-F341 CarbonylContact C-O 3.54Å; I262-F341 WeakPolarHBondContact CA-O 3.32Å; I262-F341 HydrophobicContact CG1-CB 4.27Å; I262-F341 HydrophobicContact CG2-CB 4.34Å; I262-V343 HydrophobicContact CG2-CB 4.22Å; I262-V343 HydrophobicContact CG2-CG2 3.89Å; I262-M591 HydrophobicContact CB-SD 4.45Å; I262-M591 HydrophobicContact CD1-CE 4.1Å; I262-M591 HydrophobicContact CD1-SD 3.59Å; I262-M591 VanDerWaalsContact CD1-SD 3.59Å; I262-M591 HydrophobicContact CG1-SD 3.88Å; I262-M591 HydrophobicContact CG2-SD 3.71Å; I262-I595 HydrophobicContact CD1-CD1 4.22Å
263I97.9Very high90.9Very high0 Ų021.3 Ų21.30%012%0.12CC..EExtended strand (participates in β ladder)trans-106.5123.7-176.8-56.9177.3000108.4T308 L310 T327 L330 V340 F341 L342 V343 V549I263-T308 HydrophobicContact CG1-CG2 4.24Å; I263-T308 HydrophobicContact CG2-CG2 4.35Å; I263-L310 HydrophobicContact CG2-CD1 3.64Å; I263-L310 HydrophobicContact CG2-CD2 4.06Å; I263-L310 HydrophobicContact CG2-CG 3.7Å; I263-T327 HydrophobicContact CD1-CG2 3.79Å; I263-L330 HydrophobicContact CD1-CD2 4.49Å; I263-L330 HydrophobicContact CG1-CD2 4.23Å; I263-V340 HydrophobicContact CD1-CG1 3.85Å; I263-V340 HydrophobicContact CG1-CG1 4.28Å; I263-F341 PolarHBondContact N-O 2.89Å; I263-L342 WeakPolarHBondContact O-CA 3.2Å; I263-V343 PolarHBondContact O-N 2.94Å; I263-V549 HydrophobicContact CD1-CG1 3.96Å; I263-V549 HydrophobicContact CG2-CG1 4.3Å
264T96.7Very high92.2Very high0 Ų020.7 Ų20.70%012%0.116CC..EExtended strand (participates in β ladder)trans-120.9170173.874.40000110.3E269 K270 V273 T308 K309 L310 V343T264-E269 HydrophobicContact CG2-CB 4.13Å; T264-K270 WeakPolarHBondContact OG1-CB 3.43Å; T264-V273 HydrophobicContact CG2-CB 4.23Å; T264-V273 HydrophobicContact CG2-CG2 3.68Å; T264-T308 PolarHBondContact N-O 2.98Å; T264-T308 PolarHBondContact OG1-O 2.81Å; T264-T308 VanDerWaalsContact OG1-O 3.09Å; T264-K309 CarbonylContact O-C 3.58Å; T264-K309 WeakPolarHBondContact O-CA 3.46Å; T264-L310 WeakPolarHBondContact O-CG 3.36Å; T264-L310 PolarHBondContact O-N 3.4Å; T264-V343 WeakPolarHBondContact CG2-O 3.45Å
265N93.5Very high93.2Very high15 Ų1517.3 Ų17.38%0.0810%0.098CC..  trans-120.6-51.3178.6170.350.2000112.8E269 K309 V313 Y546N265-E269 WeakPolarHBondContact CA-OE2 3.42Å; N265-E269 PolarHBondContact N-OE2 3.41Å; N265-K309 WeakPolarHBondContact O-CE 3.15Å; N265-K309 WeakPolarHBondContact O-CG 3.43Å; N265-K309 PolarHBondContact O-NZ 2.82Å; N265-K309 VanDerWaalsContact O-NZ 3.12Å; N265-V313 HydrophobicContact CB-CG1 4.24Å; N265-V313 HydrophobicContact CB-CG2 3.96Å; N265-V313 WeakPolarHBondContact ND2-CG2 3.23Å; N265-V313 WeakPolarHBondContact OD1-CG2 3.15Å; N265-Y546 WeakPolarHBondContact CB-OH 3.37Å
266L92.9Very high94.2Very high19 Ų1913.3 Ų13.310%0.0997%0.07CC..SBendtrans-83.5157.6-179.9-55.2178.4000111.1E269 K270 V345 Q580L266-E269 HydrophobicContact CB-CB 4.41Å; L266-E269 HydrophobicContact CB-CG 3.85Å; L266-E269 HydrophobicContact CG-CG 4.4Å; L266-E269 PolarHBondContact N-OE2 3.15Å; L266-E269 WeakPolarHBondContact O-CB 3.38Å; L266-E269 PolarHBondContact O-N 2.89Å; L266-K270 PolarHBondContact O-N 3.49Å; L266-K270 VanDerWaalsContact O-N 3.12Å; L266-V345 HydrophobicContact CD1-CG2 3.61Å; L266-Q580 HydrophobicContact CD1-CG 4.5Å
267L92.5Very high94.9Very high5 Ų510.9 Ų10.93%0.0266%0.059CC..Hα-helixtrans-65.2-43.4177.6177.858.2000112E177 Y180 R231 I233 E269 K270 L271 I468E177-L267 HydrophobicContact CB-CB 4.17Å; E177-L267 HydrophobicContact CB-CD2 4.1Å; E177-L267 HydrophobicContact CG-CD2 3.8Å; Y180-L267 HydrophobicContact CD1-CD1 3.92Å; Y180-L267 HydrophobicContact CE1-CD1 4.3Å; Y180-L267 HydrophobicContact CG-CD1 4.44Å; R231-L267 HydrophobicContact CG-CD2 3.87Å; I233-L267 HydrophobicContact CD1-CD1 3.41Å; I233-L267 VanDerWaalsContact CD1-CD1 3.41Å; I233-L267 HydrophobicContact CD1-CD2 4.1Å; I233-L267 HydrophobicContact CD1-CG 4.39Å; I233-L267 HydrophobicContact CG1-CD2 4.47Å; L267-E269 VanDerWaalsContact C-N 3.26Å; L267-E269 PolarHBondContact O-N 3.29Å; L267-K270 PolarHBondContact O-N 2.77Å; L267-K270 VanDerWaalsContact O-N 3.13Å; L267-L271 HydrophobicContact CD1-CD1 4.28Å; L267-L271 HydrophobicContact CD1-CG 4.06Å; L267-L271 HydrophobicContact CG-CD1 4.12Å; L267-L271 HydrophobicContact CG-CG 4.34Å; L267-L271 WeakPolarHBondContact O-CG 3.46Å; L267-L271 PolarHBondContact O-N 2.85Å; L267-I468 HydrophobicContact CD2-CD1 4.44Å; L267-I468 HydrophobicContact CG-CD1 4.33Å
268C93.5Very high95.1Very high10 Ų1011.9 Ų11.97%0.0687%0.065CC..Hα-helixtrans-59-37.6176.557.40000112L271 A272 I468 F470 P581C268-L271 PolarHBondContact O-N 3.18Å; C268-A272 VanDerWaalsContact O-CB 3.26Å; C268-A272 WeakPolarHBondContact O-CB 3.45Å; C268-A272 PolarHBondContact O-N 2.84Å; C268-I468 HydrophobicContact CB-CD1 4.12Å; C268-I468 HydrophobicContact CB-CG2 4.22Å; C268-F470 HydrophobicContact CB-CE1 4.47Å; C268-F470 HydrophobicContact CB-CZ 4.37Å; C268-P581 HydrophobicContact CB-CB 4.39Å; C268-P581 HydrophobicContact CB-CG 4.35Å
269E96.1Very high95Very high4 Ų419.4 Ų19.42%0.01910%0.1CC..Hα-helixtrans-62.3-45.7173.4-60.2170.8166.800112.1T264 N265 L266 L267 A272 V273 G344 V345 A584T264-E269 HydrophobicContact CG2-CB 4.13Å; N265-E269 WeakPolarHBondContact CA-OE2 3.42Å; N265-E269 PolarHBondContact N-OE2 3.41Å; L266-E269 HydrophobicContact CB-CB 4.41Å; L266-E269 HydrophobicContact CB-CG 3.85Å; L266-E269 HydrophobicContact CG-CG 4.4Å; L266-E269 PolarHBondContact N-OE2 3.15Å; L266-E269 WeakPolarHBondContact O-CB 3.38Å; L266-E269 PolarHBondContact O-N 2.89Å; L267-E269 VanDerWaalsContact C-N 3.26Å; L267-E269 PolarHBondContact O-N 3.29Å; E269-A272 PolarHBondContact O-N 2.86Å; E269-V273 WeakPolarHBondContact O-CG2 3.26Å; E269-V273 PolarHBondContact O-N 2.89Å; E269-G344 VanDerWaalsContact CG-CA 3.5Å; E269-G344 WeakPolarHBondContact OE1-CA 3.45Å; E269-V345 HydrophobicContact CG-CG1 4.35Å; E269-V345 WeakPolarHBondContact OE1-CG2 3.39Å; E269-V345 PolarHBondContact OE1-N 3.09Å; E269-A584 HydrophobicContact CB-CB 4.4Å; E269-A584 HydrophobicContact CG-CB 3.98Å
270K94.5Very high94.8Very high4 Ų420.5 Ų20.52%0.01710%0.103CC..Hα-helixtrans-61.5-45.8175.9175.7153.8175.848.90111.7T264 L266 L267 A272 V273 D274 V294 T296 S307 K309T264-K270 WeakPolarHBondContact OG1-CB 3.43Å; L266-K270 PolarHBondContact O-N 3.49Å; L266-K270 VanDerWaalsContact O-N 3.12Å; L267-K270 PolarHBondContact O-N 2.77Å; L267-K270 VanDerWaalsContact O-N 3.13Å; K270-A272 VanDerWaalsContact C-N 3.35Å; K270-V273 PolarHBondContact O-N 3.02Å; K270-D274 WeakPolarHBondContact CE-OD2 3.39Å; K270-D274 VanDerWaalsContact NZ-CG 3.27Å; K270-D274 IonicContact NZ-OD1 3.32Å; K270-D274 PolarHBondContact NZ-OD1 3.25Å; K270-D274 IonicContact NZ-OD2 2.62Å; K270-D274 PolarHBondContact NZ-OD2 3.17Å; K270-D274 WeakPolarHBondContact O-CB 3.36Å; K270-D274 PolarHBondContact O-N 3.26Å; K270-V294 HydrophobicContact CD-CG1 3.99Å; K270-T296 PolarHBondContact NZ-OG1 2.89Å; K270-S307 PolarHBondContact NZ-OG 3.32Å; K270-K309 HydrophobicContact CB-CB 4.09Å; K270-K309 HydrophobicContact CD-CB 3.57Å; K270-K309 HydrophobicContact CG-CB 4.43Å
271L93.2Very high94.4Very high26 Ų2621.7 Ų21.714%0.13611%0.11CC..Hα-helixtrans-65.1-40.3-179.9-67.7179.9000111.7I233 L235 L267 C268 D274 A275 I468 F470I233-L271 HydrophobicContact CG2-CD2 4.18Å; L235-L271 HydrophobicContact CD2-CD2 4.21Å; L267-L271 HydrophobicContact CD1-CD1 4.28Å; L267-L271 HydrophobicContact CD1-CG 4.06Å; L267-L271 HydrophobicContact CG-CD1 4.12Å; L267-L271 HydrophobicContact CG-CG 4.34Å; L267-L271 WeakPolarHBondContact O-CG 3.46Å; L267-L271 PolarHBondContact O-N 2.85Å; C268-L271 PolarHBondContact O-N 3.18Å; L271-D274 PolarHBondContact O-N 2.91Å; L271-A275 WeakPolarHBondContact O-CB 3.23Å; L271-A275 PolarHBondContact O-N 2.96Å; L271-I468 HydrophobicContact CD1-CD1 3.73Å; L271-I468 HydrophobicContact CD1-CG1 4.42Å; L271-F470 HydrophobicContact CB-CE2 4.48Å; L271-F470 HydrophobicContact CB-CZ 4.03Å
272A95.5Very high94Very high0 Ų021.8 Ų21.80%011%0.111CC..Hα-helixtrans-58.8-47.5172.900000112.3C268 E269 K270 A275 F470 A584 L585 A588C268-A272 VanDerWaalsContact O-CB 3.26Å; C268-A272 WeakPolarHBondContact O-CB 3.45Å; C268-A272 PolarHBondContact O-N 2.84Å; E269-A272 PolarHBondContact O-N 2.86Å; K270-A272 VanDerWaalsContact C-N 3.35Å; A272-A275 PolarHBondContact O-N 3.09Å; A272-F470 HydrophobicContact CB-CE1 4.04Å; A272-A584 HydrophobicContact CB-CB 4.09Å; A272-L585 HydrophobicContact CB-CB 4.25Å; A272-L585 HydrophobicContact CB-CD1 3.85Å; A272-A588 HydrophobicContact CB-CB 3.96Å
273V97Very high93.5Very high0 Ų022 Ų220%011%0.112CC..Hα-helixtrans-64-46.2176.4165.90000111.3I262 T264 E269 K270 A275 M276 V343 A588 M591I262-V273 HydrophobicContact CB-CG1 4.1Å; I262-V273 HydrophobicContact CD1-CG1 3.93Å; I262-V273 HydrophobicContact CG2-CB 4.39Å; I262-V273 HydrophobicContact CG2-CG1 3.6Å; I262-V273 HydrophobicContact CG2-CG2 3.87Å; T264-V273 HydrophobicContact CG2-CB 4.23Å; T264-V273 HydrophobicContact CG2-CG2 3.68Å; E269-V273 WeakPolarHBondContact O-CG2 3.26Å; E269-V273 PolarHBondContact O-N 2.89Å; K270-V273 PolarHBondContact O-N 3.02Å; V273-A275 PolarHBondContact O-N 2.82Å; V273-M276 VanDerWaalsContact O-CB 3.28Å; V273-M276 WeakPolarHBondContact O-CB 3.48Å; V273-M276 PolarHBondContact O-N 3.34Å; V273-V343 HydrophobicContact CG2-CB 4.09Å; V273-V343 HydrophobicContact CG2-CG1 3.99Å; V273-A588 HydrophobicContact CG2-CB 4.15Å; V273-M591 HydrophobicContact CG1-CE 4.46Å; V273-M591 HydrophobicContact CG2-SD 4.44Å
274D94.3Very high92.9Very high4 Ų422.1 Ų22.12%0.02111%0.112CC..Hα-helixtrans-64.6-28.4-178.9-69.9-9.9000111.7K270 L271 M276 M277 K280 T296 S307K270-D274 WeakPolarHBondContact CE-OD2 3.39Å; K270-D274 VanDerWaalsContact NZ-CG 3.27Å; K270-D274 IonicContact NZ-OD1 3.32Å; K270-D274 PolarHBondContact NZ-OD1 3.25Å; K270-D274 IonicContact NZ-OD2 2.62Å; K270-D274 PolarHBondContact NZ-OD2 3.17Å; K270-D274 WeakPolarHBondContact O-CB 3.36Å; K270-D274 PolarHBondContact O-N 3.26Å; L271-D274 PolarHBondContact O-N 2.91Å; D274-M276 PolarHBondContact O-N 3.18Å; D274-M277 PolarHBondContact O-N 3.27Å; D274-K280 WeakPolarHBondContact O-CD 3.34Å; D274-K280 PolarHBondContact O-NZ 2.72Å; D274-T296 PolarHBondContact OD2-OG1 3.4Å; D274-S307 PolarHBondContact OD1-OG 2.64Å
275A93Very high92.2Very high27 Ų2725 Ų2522%0.22312%0.123CC..Hα-helixtrans-68.3-20.8173.800000113.2L271 A272 V273 M277 L461L271-A275 WeakPolarHBondContact O-CB 3.23Å; L271-A275 PolarHBondContact O-N 2.96Å; A272-A275 PolarHBondContact O-N 3.09Å; V273-A275 PolarHBondContact O-N 2.82Å; A275-M277 VanDerWaalsContact C-N 3.28Å; A275-L461 HydrophobicContact CB-CD1 3.65Å; A275-L461 HydrophobicContact CB-CD2 4.13Å; A275-L461 HydrophobicContact CB-CG 4.03Å
276M96.4Very high91.4Very high3 Ų327.4 Ų27.42%0.01513%0.131CC..THydrogen-bonded Turntrans-77.9-16174.2-61.2-56.1128.300113.1V273 D274 I300 I453 A457 L585 A588 M591 K592V273-M276 VanDerWaalsContact O-CB 3.28Å; V273-M276 WeakPolarHBondContact O-CB 3.48Å; V273-M276 PolarHBondContact O-N 3.34Å; D274-M276 PolarHBondContact O-N 3.18Å; M276-I300 HydrophobicContact CB-CD1 4.21Å; M276-I453 HydrophobicContact CE-CG2 4.37Å; M276-I453 HydrophobicContact SD-CG2 3.51Å; M276-I453 VanDerWaalsContact SD-CG2 3.51Å; M276-A457 HydrophobicContact CE-CB 3.43Å; M276-A457 VanDerWaalsContact CE-CB 3.43Å; M276-L585 HydrophobicContact CE-CD1 3.64Å; M276-A588 HydrophobicContact CE-CB 4.45Å; M276-A588 HydrophobicContact CG-CB 3.9Å; M276-A588 WeakPolarHBondContact CG-O 3.35Å; M276-M591 HydrophobicContact CB-CE 4.05Å; M276-M591 HydrophobicContact CG-CE 4.12Å; M276-K592 HydrophobicContact CB-CB 4.24Å; M276-K592 HydrophobicContact CB-CD 3.98Å; M276-K592 HydrophobicContact CG-CB 4.2Å; M276-K592 HydrophobicContact CG-CD 4.37Å; M276-K592 PolarHBondContact O-NZ 3.39Å; M276-K592 HydrophobicContact SD-CB 4.04Å; M276-K592 HydrophobicContact SD-CD 3.78Å
277M94.9Very high90.4Very high11 Ų1130.6 Ų30.65%0.05414%0.144CC..  trans-96.4144.7-172.2-59.5173.259.700113.2D274 A275 K280 T296 G298 N299 I300 V305D274-M277 PolarHBondContact O-N 3.27Å; A275-M277 VanDerWaalsContact C-N 3.28Å; M277-K280 HydrophobicContact CB-CB 4.45Å; M277-K280 HydrophobicContact CB-CD 4.34Å; M277-K280 HydrophobicContact CE-CB 4.47Å; M277-T296 HydrophobicContact CE-CG2 4.08Å; M277-T296 HydrophobicContact SD-CG2 4.37Å; M277-G298 VanDerWaalsContact CE-CA 3.45Å; M277-N299 CarbonylContact C-O 3.6Å; M277-N299 WeakPolarHBondContact CA-O 3.4Å; M277-I300 HydrophobicContact CG-CD1 4.04Å; M277-I300 HydrophobicContact CG-CG1 3.95Å; M277-V305 HydrophobicContact CE-CG2 3.42Å; M277-V305 VanDerWaalsContact CE-CG2 3.42Å; M277-V305 HydrophobicContact CG-CG2 3.87Å; M277-V305 HydrophobicContact SD-CG2 3.82Å
278E92.8Very high88.7Confident103 Ų10334.4 Ų34.448%0.48117%0.172SC..EExtended strand (participates in β ladder)trans-109.8158.4174.4-67.1160.4-145.300110.5K280 G298 N299 K592E278-K280 PolarHBondContact O-N 3.24Å; E278-K280 VanDerWaalsContact O-N 3.13Å; E278-G298 WeakPolarHBondContact O-CA 3.26Å; E278-N299 PolarHBondContact N-O 2.8Å; E278-N299 PolarHBondContact O-N 3.34Å; E278-K592 IonicContact OE1-NZ 2.63Å
279Q90.7Very high87.1Confident158 Ų15841.5 Ų41.574%0.73820%0.204SC*.EExtended strand (participates in β ladder)trans50.141.1176.7-58.4178.8-1.100113.7N299Q279-N299 PolarHBondContact OE1-ND2 3.3Å; Q279-N299 VanDerWaalsContact OE1-ND2 3.09Å
280K90.7Very high85.6Confident41 Ų4144.2 Ų44.218%0.17823%0.233CC..EExtended strand (participates in β ladder)trans-83.8147.4-170.363.2-171.1173.3-177.70113.3H238 D274 M277 E278 T296 I297H238-K280 HydrophobicContact CB-CD 4.45Å; H238-K280 HydrophobicContact CB-CG 3.58Å; H238-K280 VanDerWaalsContact CB-O 3.31Å; H238-K280 WeakPolarHBondContact CB-O 3.48Å; H238-K280 WeakPolarHBondContact ND1-CE 3.33Å; D274-K280 WeakPolarHBondContact O-CD 3.34Å; D274-K280 PolarHBondContact O-NZ 2.72Å; M277-K280 HydrophobicContact CB-CB 4.45Å; M277-K280 HydrophobicContact CB-CD 4.34Å; M277-K280 HydrophobicContact CE-CB 4.47Å; E278-K280 PolarHBondContact O-N 3.24Å; E278-K280 VanDerWaalsContact O-N 3.13Å; K280-T296 HydrophobicContact CB-CG2 3.78Å; K280-T296 HydrophobicContact CD-CG2 4.23Å; K280-T296 HydrophobicContact CG-CG2 4.33Å; K280-I297 CarbonylContact C-O 3.42Å; K280-I297 WeakPolarHBondContact CA-O 2.96Å
281T90.9Very high84.5Confident26 Ų2645.4 Ų45.416%0.1624%0.239CC..EExtended strand (participates in β ladder)trans-129.6125.5168.9-61.90000108.5V239 R241 F283 T296 I297V239-T281 HydrophobicContact CB-CG2 4.26Å; V239-T281 HydrophobicContact CG1-CG2 4.49Å; V239-T281 WeakPolarHBondContact O-CA 3.4Å; R241-T281 HydrophobicContact CG-CG2 4.21Å; T281-F283 HydrophobicContact CG2-CD2 4.2Å; T281-F283 HydrophobicContact CG2-CE1 4.02Å; T281-F283 HydrophobicContact CG2-CE2 3.6Å; T281-F283 HydrophobicContact CG2-CZ 3.51Å; T281-T296 WeakPolarHBondContact O-CA 3.42Å; T281-I297 PolarHBondContact N-O 2.82Å; T281-I297 PolarHBondContact O-N 2.9Å
282T89.5Confident84Confident1 Ų144.3 Ų44.31%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-97.4124.7178.6-64.20000109.5L235 H238 V239 V240 R241 V284 V294 Y295 T296L235-T282 HydrophobicContact CD1-CG2 3.95Å; H238-T282 PolarHBondContact CD2-OG1 3.18Å; H238-T282 VanDerWaalsContact CD2-OG1 3.24Å; H238-T282 PolarHBondContact NE2-OG1 3.36Å; H238-T282 VanDerWaalsContact NE2-OG1 3.15Å; V239-T282 PolarHBondContact O-N 2.94Å; V240-T282 CarbonylContact C-O 3.52Å; V240-T282 WeakPolarHBondContact CA-O 3.45Å; R241-T282 PolarHBondContact N-O 2.99Å; T282-V284 HydrophobicContact CG2-CG2 4.06Å; T282-V294 HydrophobicContact CG2-CG2 3.76Å; T282-Y295 CarbonylContact C-O 3.57Å; T282-Y295 WeakPolarHBondContact CA-O 3.21Å; T282-T296 WeakPolarHBondContact OG1-CG2 3.35Å; T282-T296 PolarHBondContact OG1-OG1 3.39Å
283F87.8Confident83.5Confident6 Ų644.6 Ų44.63%0.02624%0.235CC..EExtended strand (participates in β ladder)trans-108.7126.6175.9-58.9-90.1000109.6R241 M243 V252 T281 V294 Y295 I297R241-F283 HydrophobicContact CB-CD1 3.82Å; R241-F283 HydrophobicContact CB-CE1 4.13Å; R241-F283 HydrophobicContact CG-CE1 4.41Å; R241-F283 VanDerWaalsContact O-CA 3.31Å; R241-F283 WeakPolarHBondContact O-CA 3.41Å; M243-F283 HydrophobicContact CE-CB 3.33Å; M243-F283 HydrophobicContact CE-CD1 3.36Å; M243-F283 HydrophobicContact CE-CD2 4.24Å; M243-F283 HydrophobicContact CE-CE1 4.16Å; M243-F283 HydrophobicContact CE-CG 3.39Å; M243-F283 HydrophobicContact CG-CB 4.14Å; M243-F283 HydrophobicContact CG-CD1 4.19Å; M243-F283 HydrophobicContact SD-CB 4.23Å; V252-F283 HydrophobicContact CG1-CD2 4.43Å; V252-F283 HydrophobicContact CG1-CE1 4.21Å; V252-F283 HydrophobicContact CG1-CE2 3.85Å; V252-F283 HydrophobicContact CG1-CZ 3.71Å; V252-F283 HydrophobicContact CG2-CD1 4.3Å; V252-F283 HydrophobicContact CG2-CE1 3.7Å; V252-F283 HydrophobicContact CG2-CZ 3.98Å; T281-F283 HydrophobicContact CG2-CD2 4.2Å; T281-F283 HydrophobicContact CG2-CE1 4.02Å; T281-F283 HydrophobicContact CG2-CE2 3.6Å; T281-F283 HydrophobicContact CG2-CZ 3.51Å; F283-V294 WeakPolarHBondContact O-CA 3.17Å; F283-Y295 PolarHBondContact N-O 3.1Å; F283-Y295 PolarHBondContact O-N 2.61Å; F283-I297 HydrophobicContact CD2-CD1 4.3Å; F283-I297 HydrophobicContact CD2-CG1 4.43Å; F283-I297 HydrophobicContact CE2-CB 4.34Å; F283-I297 HydrophobicContact CE2-CD1 3.92Å; F283-I297 HydrophobicContact CE2-CG1 4.23Å
284V84.2Confident83.1Confident1 Ų144.6 Ų44.61%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-121.7128.7176.9-159.60000109.6P181 V240 R241 E242 M243 T282 Y286 H293 V294P181-V284 HydrophobicContact CB-CG1 4.02Å; P181-V284 HydrophobicContact CG-CG1 4.44Å; V240-V284 HydrophobicContact CG1-CG2 4.28Å; R241-V284 PolarHBondContact O-N 2.84Å; E242-V284 CarbonylContact C-O 3.6Å; E242-V284 WeakPolarHBondContact CA-O 3.03Å; M243-V284 PolarHBondContact N-O 3.23Å; T282-V284 HydrophobicContact CG2-CG2 4.06Å; V284-Y286 HydrophobicContact CB-CE1 4.3Å; V284-Y286 HydrophobicContact CB-CE2 4.03Å; V284-Y286 HydrophobicContact CG1-CD1 3.89Å; V284-Y286 HydrophobicContact CG1-CD2 4.41Å; V284-Y286 HydrophobicContact CG1-CE1 3.28Å; V284-Y286 HydrophobicContact CG1-CE2 3.88Å; V284-Y286 HydrophobicContact CG1-CG 4.42Å; V284-H293 WeakPolarHBondContact CA-O 3.37Å; V284-V294 HydrophobicContact CG1-CB 4.48Å; V284-V294 HydrophobicContact CG2-CG2 4.12Å
285R81.8Confident83Confident62 Ų6244.8 Ų44.823%0.23424%0.235CC..EExtended strand (participates in β ladder)trans-111104.8171.3-176.4178.3177.8179.11.8108.4M243 S292 H293M243-R285 HydrophobicContact CB-CB 4.29Å; R285-S292 VanDerWaalsContact O-CA 3.23Å; R285-S292 WeakPolarHBondContact O-CA 3.44Å; R285-S292 WeakPolarHBondContact O-CB 3.44Å; R285-H293 PolarHBondContact N-O 2.67Å; R285-H293 PolarHBondContact O-N 3.47Å
286Y78.2Confident83Confident64 Ų6443.5 Ų43.525%0.25123%0.225SC..  trans-82.2130.5171.8-56.5-63.8000109.6P181 R230 E242 V284 S292P181-Y286 HydrophobicContact CB-CE1 4.1Å; R230-Y286 PolarHBondContact NH2-OH 2.82Å; E242-Y286 HydrophobicContact CG-CD2 3.94Å; E242-Y286 HydrophobicContact CG-CE2 4.21Å; V284-Y286 HydrophobicContact CB-CE1 4.3Å; V284-Y286 HydrophobicContact CB-CE2 4.03Å; V284-Y286 HydrophobicContact CG1-CD1 3.89Å; V284-Y286 HydrophobicContact CG1-CD2 4.41Å; V284-Y286 HydrophobicContact CG1-CE1 3.28Å; V284-Y286 HydrophobicContact CG1-CE2 3.88Å; V284-Y286 HydrophobicContact CG1-CG 4.42Å; Y286-S292 WeakPolarHBondContact CA-OG 3.07Å
287K71.4Confident82.9Confident86 Ų8643.5 Ų43.537%0.37423%0.225SC..  trans-115.3138.9169.3-74.3-164.6180-177.50109.3E291 S292K287-E291 WeakPolarHBondContact CD-O 3.35Å; K287-S292 PolarHBondContact N-OG 3.17Å
288S57.4Low82.9Confident85 Ų8543 Ų4359%0.59422%0.222SC*.SBendtrans-76.1-35.5172.9-16.70000111.9E220E220-S288 WeakPolarHBondContact OE2-CB 3.36Å; E220-S288 PolarHBondContact OE2-OG 2.81Å
289E59.2Low83Confident159 Ų15939.7 Ų39.774%0.74321%0.208SC*.SBendtrans-123.3127.7172.3-68.3-169.3165.600110.5
290G65.2Low83.3Confident62 Ų6232.1 Ų32.164%0.63917%0.172SC*.SBendtrans87.5-159.1-172.300000112.6
291E70.5Confident83.5Confident29 Ų2931.7 Ų31.714%0.13618%0.179CC..  trans-93.5140.6-167.1-65.1166.5166.500112.6K287 H293 S322 R329K287-E291 WeakPolarHBondContact CD-O 3.35Å; E291-H293 PolarHBondContact O-CE1 2.8Å; E291-H293 PolarHBondContact O-ND1 3.13Å; E291-H293 VanDerWaalsContact O-ND1 3.17Å; E291-H293 IonicContact OE2-NE2 3.6Å; E291-S322 VanDerWaalsContact OE1-CA 3.26Å; E291-S322 WeakPolarHBondContact OE1-CA 3.4Å; E291-S322 WeakPolarHBondContact OE1-CB 3.25Å; E291-S322 PolarHBondContact OE1-OG 3.46Å; E291-S322 PolarHBondContact OE2-OG 3.18Å; E291-R329 IonicContact OE2-NH2 2.65Å; E291-R329 PolarHBondContact OE2-NH2 2.86Å
292S82.6Confident83.6Confident3 Ų334.3 Ų34.32%0.02120%0.197CC..  trans-89.2149.9167.7-59.80000110.2N182 R285 Y286 K287N182-S292 VanDerWaalsContact OD1-CB 3.27Å; N182-S292 WeakPolarHBondContact OD1-CB 3.49Å; N182-S292 PolarHBondContact OD1-N 2.85Å; R285-S292 VanDerWaalsContact O-CA 3.23Å; R285-S292 WeakPolarHBondContact O-CA 3.44Å; R285-S292 WeakPolarHBondContact O-CB 3.44Å; Y286-S292 WeakPolarHBondContact CA-OG 3.07Å; K287-S292 PolarHBondContact N-OG 3.17Å
293H85.6Confident83.9Confident6 Ų634.8 Ų34.83%0.02820%0.199CC..EExtended strand (participates in β ladder)trans-133.9144.7-175.5-52.979.5000110.4V284 R285 E291 Y295 I326 R329V284-H293 WeakPolarHBondContact CA-O 3.37Å; R285-H293 PolarHBondContact N-O 2.67Å; R285-H293 PolarHBondContact O-N 3.47Å; E291-H293 PolarHBondContact O-CE1 2.8Å; E291-H293 PolarHBondContact O-ND1 3.13Å; E291-H293 VanDerWaalsContact O-ND1 3.17Å; E291-H293 IonicContact OE2-NE2 3.6Å; H293-Y295 HydrophobicContact CB-CE2 4.09Å; H293-I326 WeakPolarHBondContact CD2-CD1 3.2Å; H293-I326 WeakPolarHBondContact CD2-CG1 3.45Å; H293-I326 WeakPolarHBondContact NE2-CD1 3.32Å; H293-I326 WeakPolarHBondContact NE2-CG1 3.22Å; H293-R329 PolarHBondContact CE1-NH1 3.08Å; H293-R329 PolarHBondContact CE1-NH2 2.92Å; H293-R329 PolarHBondContact ND1-NH1 3.47Å; H293-R329 VanDerWaalsContact NE2-CZ 3.3Å; H293-R329 PolarHBondContact NE2-NH1 3.28Å; H293-R329 PolarHBondContact NE2-NH2 3.03Å
294V89.1Confident84.3Confident0 Ų036.7 Ų36.70%021%0.207CC..EExtended strand (participates in β ladder)trans-124.913117659.90000109.4Y180 P181 K270 T282 F283 V284 T308 K309Y180-V294 HydrophobicContact CE1-CB 4.34Å; Y180-V294 HydrophobicContact CE1-CG1 3.95Å; Y180-V294 HydrophobicContact CE1-CG2 4.34Å; P181-V294 HydrophobicContact CG-CB 4.15Å; P181-V294 HydrophobicContact CG-CG1 4.2Å; K270-V294 HydrophobicContact CD-CG1 3.99Å; T282-V294 HydrophobicContact CG2-CG2 3.76Å; F283-V294 WeakPolarHBondContact O-CA 3.17Å; V284-V294 HydrophobicContact CG1-CB 4.48Å; V284-V294 HydrophobicContact CG2-CG2 4.12Å; V294-T308 WeakPolarHBondContact O-CA 3.45Å; V294-T308 WeakPolarHBondContact O-CB 3.36Å; V294-T308 PolarHBondContact O-OG1 3.26Å; V294-K309 HydrophobicContact CG1-CB 4.03Å
295Y91.5Very high84.9Confident8 Ų836.6 Ų36.63%0.03121%0.207CC..EExtended strand (participates in β ladder)trans-126.8139.3174.2-60-60.9000109.1M249 T282 F283 H293 I306 S307 T308 L330M249-Y295 HydrophobicContact SD-CD2 4.38Å; M249-Y295 HydrophobicContact SD-CE2 3.65Å; T282-Y295 CarbonylContact C-O 3.57Å; T282-Y295 WeakPolarHBondContact CA-O 3.21Å; F283-Y295 PolarHBondContact N-O 3.1Å; F283-Y295 PolarHBondContact O-N 2.61Å; H293-Y295 HydrophobicContact CB-CE2 4.09Å; Y295-I306 HydrophobicContact CD1-CD1 4.07Å; Y295-I306 HydrophobicContact CD1-CG1 4.38Å; Y295-I306 HydrophobicContact CG-CD1 4.15Å; Y295-S307 CarbonylContact C-O 3.58Å; Y295-S307 VanDerWaalsContact CA-O 3.3Å; Y295-S307 WeakPolarHBondContact CA-O 3.11Å; Y295-T308 WeakPolarHBondContact CD1-OG1 3.3Å; Y295-T308 WeakPolarHBondContact CE1-OG1 3.09Å; Y295-L330 HydrophobicContact CD1-CD1 3.77Å; Y295-L330 HydrophobicContact CE1-CB 4.2Å; Y295-L330 HydrophobicContact CE1-CD1 3.51Å; Y295-L330 HydrophobicContact CE1-CG 4.35Å
296T93.1Very high85.5Confident0 Ų033.7 Ų33.70%020%0.196CC..EExtended strand (participates in β ladder)trans-122.1120.6169.1-59.10000107.9K270 D274 M277 K280 T281 T282 I306 S307K270-T296 PolarHBondContact NZ-OG1 2.89Å; D274-T296 PolarHBondContact OD2-OG1 3.4Å; M277-T296 HydrophobicContact CE-CG2 4.08Å; M277-T296 HydrophobicContact SD-CG2 4.37Å; K280-T296 HydrophobicContact CB-CG2 3.78Å; K280-T296 HydrophobicContact CD-CG2 4.23Å; K280-T296 HydrophobicContact CG-CG2 4.33Å; T281-T296 WeakPolarHBondContact O-CA 3.42Å; T282-T296 WeakPolarHBondContact OG1-CG2 3.35Å; T282-T296 PolarHBondContact OG1-OG1 3.39Å; T296-I306 CarbonylContact O-C 3.53Å; T296-I306 WeakPolarHBondContact O-CA 3.21Å; T296-S307 WeakPolarHBondContact CB-OG 3.29Å; T296-S307 PolarHBondContact N-O 3.13Å; T296-S307 PolarHBondContact O-N 2.97Å
297I93.9Very high86.4Confident3 Ų330.6 Ų30.62%0.01518%0.184CC..EExtended strand (participates in β ladder)trans-105.9135178.2-61178.1000107.7V252 E256 K280 T281 F283 K304 V305 I306 F334V252-I297 HydrophobicContact CG1-CD1 3.48Å; V252-I297 VanDerWaalsContact CG1-CD1 3.48Å; E256-I297 HydrophobicContact CB-CD1 4.18Å; E256-I297 HydrophobicContact CB-CG2 4.02Å; E256-I297 HydrophobicContact CG-CD1 4.21Å; E256-I297 HydrophobicContact CG-CG2 4.25Å; K280-I297 CarbonylContact C-O 3.42Å; K280-I297 WeakPolarHBondContact CA-O 2.96Å; T281-I297 PolarHBondContact N-O 2.82Å; T281-I297 PolarHBondContact O-N 2.9Å; F283-I297 HydrophobicContact CD2-CD1 4.3Å; F283-I297 HydrophobicContact CD2-CG1 4.43Å; F283-I297 HydrophobicContact CE2-CB 4.34Å; F283-I297 HydrophobicContact CE2-CD1 3.92Å; F283-I297 HydrophobicContact CE2-CG1 4.23Å; I297-K304 HydrophobicContact CG2-CD 4.33Å; I297-V305 WeakPolarHBondContact CA-O 3.18Å; I297-I306 HydrophobicContact CD1-CD1 4.14Å; I297-I306 HydrophobicContact CG1-CB 4.19Å; I297-I306 HydrophobicContact CG1-CD1 3.87Å; I297-I306 HydrophobicContact CG1-CG1 3.92Å; I297-F334 HydrophobicContact CD1-CE1 3.94Å; I297-F334 HydrophobicContact CD1-CZ 4.1Å
298G94.2Very high87.5Confident0 Ų026.5 Ų26.50%017%0.166CC..EExtended strand (participates in β ladder)trans-171.4-164.1-179.700000110.7M277 E278 V305M277-G298 VanDerWaalsContact CE-CA 3.45Å; E278-G298 WeakPolarHBondContact O-CA 3.26Å; G298-V305 PolarHBondContact N-O 3.03Å; G298-V305 PolarHBondContact O-N 3.4Å
299N95.5Very high89.3Confident33 Ų3322.5 Ų22.518%0.17614%0.138CC..EExtended strand (participates in β ladder)trans-118.7142.5-176.9-57.2-17.5000110.9M277 E278 Q279 H303 K304M277-N299 CarbonylContact C-O 3.6Å; M277-N299 WeakPolarHBondContact CA-O 3.4Å; E278-N299 PolarHBondContact N-O 2.8Å; E278-N299 PolarHBondContact O-N 3.34Å; Q279-N299 PolarHBondContact OE1-ND2 3.3Å; Q279-N299 VanDerWaalsContact OE1-ND2 3.09Å; N299-H303 CarbonylContact C-O 3.55Å; N299-H303 VanDerWaalsContact CA-O 3.25Å; N299-H303 WeakPolarHBondContact CA-O 3.41Å; N299-K304 WeakPolarHBondContact OD1-CD 3.43Å
300I97.1Very high90.8Very high0 Ų015 Ų150%010%0.102CC..EExtended strand (participates in β ladder)trans-120.9107163.5-65.5178.8000106.8I262 M276 M277 H303 V305 M591 K592 I595 L596I262-I300 HydrophobicContact CD1-CD1 4.07Å; M276-I300 HydrophobicContact CB-CD1 4.21Å; M277-I300 HydrophobicContact CG-CD1 4.04Å; M277-I300 HydrophobicContact CG-CG1 3.95Å; I300-H303 PolarHBondContact N-O 3.3Å; I300-H303 PolarHBondContact O-N 2.92Å; I300-H303 VanDerWaalsContact O-N 3.09Å; I300-V305 HydrophobicContact CB-CG1 4.2Å; I300-V305 HydrophobicContact CD1-CG1 4.3Å; I300-V305 HydrophobicContact CD1-CG2 4.04Å; I300-V305 HydrophobicContact CG1-CG1 4.22Å; I300-V305 HydrophobicContact CG1-CG2 3.98Å; I300-M591 HydrophobicContact CD1-CE 3.83Å; I300-K592 HydrophobicContact CG2-CD 4.43Å; I300-K592 HydrophobicContact CG2-CG 3.81Å; I300-I595 HydrophobicContact CB-CG2 3.88Å; I300-I595 HydrophobicContact CD1-CD1 3.8Å; I300-I595 HydrophobicContact CG2-CB 4.03Å; I300-I595 HydrophobicContact CG2-CG2 3.63Å; I300-L596 HydrophobicContact CG2-CD2 4.47Å
301G94.6Very high91.6Very high31 Ų3112.4 Ų12.432%0.328%0.075SC..THydrogen-bonded Turntrans54.3-128.9-166.300000110.1H303G301-H303 VanDerWaalsContact C-N 3.29Å; G301-H303 PolarHBondContact O-N 2.9Å
302P93.8Very high91.9Very high81 Ų8114.1 Ų14.153%0.5268%0.083SC..THydrogen-bonded Turntrans-84.70.9-178.938.3-38.2000113.8L600P302-L600 HydrophobicContact CB-CD1 4.23Å; P302-L600 HydrophobicContact CB-CD2 3.54Å; P302-L600 HydrophobicContact CB-CG 4.26Å; P302-L600 HydrophobicContact CG-CD1 4.38Å; P302-L600 HydrophobicContact CG-CD2 3.72Å; P302-L600 HydrophobicContact CG-CG 4.14Å
303H95.5Very high91.6Very high12 Ų1214.3 Ų14.36%0.0568%0.084CC..EExtended strand (participates in β ladder)trans-97.4132.3-175.2-57.7-75.7000111.9I260 N299 I300 G301 V305 I595 L598I260-H303 HydrophobicContact CD1-CB 3.71Å; N299-H303 CarbonylContact C-O 3.55Å; N299-H303 VanDerWaalsContact CA-O 3.25Å; N299-H303 WeakPolarHBondContact CA-O 3.41Å; I300-H303 PolarHBondContact N-O 3.3Å; I300-H303 PolarHBondContact O-N 2.92Å; I300-H303 VanDerWaalsContact O-N 3.09Å; G301-H303 VanDerWaalsContact C-N 3.29Å; G301-H303 PolarHBondContact O-N 2.9Å; H303-V305 HydrophobicContact CB-CG1 4.33Å; H303-I595 HydrophobicContact CB-CG2 4.06Å; H303-I595 PolarHBondContact CD2-O 3.27Å; H303-I595 VanDerWaalsContact CD2-O 3.23Å; H303-I595 PolarHBondContact NE2-O 3.43Å; H303-L598 PolarHBondContact CE1-O 2.92Å; H303-L598 PolarHBondContact NE2-O 2.95Å
304K95.3Very high91Very high45 Ų4514.1 Ų14.120%0.1968%0.084CC..EExtended strand (participates in β ladder)trans-82.1120.4171.8-168.571.6160.9-172.80109.8E256 P258 T259 I260 I297 N299E256-K304 WeakPolarHBondContact O-CE 3.18Å; E256-K304 WeakPolarHBondContact O-CG 3.42Å; E256-K304 WeakPolarHBondContact OE2-CE 3.42Å; E256-K304 IonicContact OE2-NZ 3.63Å; E256-K304 PolarHBondContact OE2-NZ 2.92Å; P258-K304 WeakPolarHBondContact CA-O 3.26Å; P258-K304 HydrophobicContact CB-CG 4.12Å; T259-K304 PolarHBondContact N-O 3.28Å; I260-K304 PolarHBondContact N-O 2.89Å; I297-K304 HydrophobicContact CG2-CD 4.33Å; N299-K304 WeakPolarHBondContact OD1-CD 3.43Å
305V96.7Very high90.1Very high0 Ų018.5 Ų18.50%010%0.101CC..EExtended strand (participates in β ladder)trans-123.3151.5-173.9-44.50000111.6I260 I262 M277 I297 G298 I300 H303I260-V305 HydrophobicContact CB-CB 4.27Å; I260-V305 HydrophobicContact CB-CG1 3.92Å; I260-V305 HydrophobicContact CD1-CG1 4.15Å; I260-V305 HydrophobicContact CG1-CG1 4.45Å; I260-V305 HydrophobicContact CG2-CG1 4.41Å; I260-V305 CarbonylContact O-C 3.5Å; I260-V305 WeakPolarHBondContact O-CA 3.24Å; I262-V305 HydrophobicContact CD1-CB 4.13Å; I262-V305 HydrophobicContact CD1-CG2 4.05Å; M277-V305 HydrophobicContact CE-CG2 3.42Å; M277-V305 VanDerWaalsContact CE-CG2 3.42Å; M277-V305 HydrophobicContact CG-CG2 3.87Å; M277-V305 HydrophobicContact SD-CG2 3.82Å; I297-V305 WeakPolarHBondContact CA-O 3.18Å; G298-V305 PolarHBondContact N-O 3.03Å; G298-V305 PolarHBondContact O-N 3.4Å; I300-V305 HydrophobicContact CB-CG1 4.2Å; I300-V305 HydrophobicContact CD1-CG1 4.3Å; I300-V305 HydrophobicContact CD1-CG2 4.04Å; I300-V305 HydrophobicContact CG1-CG1 4.22Å; I300-V305 HydrophobicContact CG1-CG2 3.98Å; H303-V305 HydrophobicContact CB-CG1 4.33Å
306I96Very high89.4Confident0 Ų024.4 Ų24.40%013%0.129CC..EExtended strand (participates in β ladder)trans-123.1123.1170.4-177.1164.1000110P258 I260 A261 I262 Y295 T296 I297 L330 F334 V337P258-I306 HydrophobicContact CB-CB 3.99Å; P258-I306 HydrophobicContact CB-CG2 3.9Å; P258-I306 HydrophobicContact CG-CB 3.92Å; P258-I306 HydrophobicContact CG-CG2 3.77Å; I260-I306 PolarHBondContact O-N 2.91Å; A261-I306 CarbonylContact C-O 3.57Å; A261-I306 WeakPolarHBondContact CA-O 3.45Å; A261-I306 HydrophobicContact CB-CG2 4.13Å; I262-I306 PolarHBondContact N-O 3.42Å; Y295-I306 HydrophobicContact CD1-CD1 4.07Å; Y295-I306 HydrophobicContact CD1-CG1 4.38Å; Y295-I306 HydrophobicContact CG-CD1 4.15Å; T296-I306 CarbonylContact O-C 3.53Å; T296-I306 WeakPolarHBondContact O-CA 3.21Å; I297-I306 HydrophobicContact CD1-CD1 4.14Å; I297-I306 HydrophobicContact CG1-CB 4.19Å; I297-I306 HydrophobicContact CG1-CD1 3.87Å; I297-I306 HydrophobicContact CG1-CG1 3.92Å; I306-L330 HydrophobicContact CD1-CD1 3.58Å; I306-L330 HydrophobicContact CG1-CD1 4.04Å; I306-L330 HydrophobicContact CG2-CD1 4.22Å; I306-F334 HydrophobicContact CD1-CD1 4.28Å; I306-F334 HydrophobicContact CD1-CD2 3.65Å; I306-F334 HydrophobicContact CD1-CE1 3.88Å; I306-F334 HydrophobicContact CD1-CE2 3.23Å; I306-F334 HydrophobicContact CD1-CG 4.16Å; I306-F334 HydrophobicContact CD1-CZ 3.35Å; I306-V337 HydrophobicContact CG2-CG2 4.38Å
307S96.5Very high88.8Confident0 Ų030.6 Ų30.60%016%0.161CC..EExtended strand (participates in β ladder)trans-101.7147.6172.483.60000111.1I262 K270 D274 Y295 T296I262-S307 CarbonylContact O-C 3.54Å; I262-S307 WeakPolarHBondContact O-CA 3.2Å; K270-S307 PolarHBondContact NZ-OG 3.32Å; D274-S307 PolarHBondContact OD1-OG 2.64Å; Y295-S307 CarbonylContact C-O 3.58Å; Y295-S307 VanDerWaalsContact CA-O 3.3Å; Y295-S307 WeakPolarHBondContact CA-O 3.11Å; T296-S307 WeakPolarHBondContact CB-OG 3.29Å; T296-S307 PolarHBondContact N-O 3.13Å; T296-S307 PolarHBondContact O-N 2.97Å
308T95.2Very high88.2Confident0 Ų035.2 Ų35.20%018%0.182CC..EExtended strand (participates in β ladder)trans-140.5152.6170.2-162.80000111I262 I263 T264 V294 Y295 L330I262-T308 PolarHBondContact O-N 3.18Å; I263-T308 HydrophobicContact CG1-CG2 4.24Å; I263-T308 HydrophobicContact CG2-CG2 4.35Å; T264-T308 PolarHBondContact N-O 2.98Å; T264-T308 PolarHBondContact OG1-O 2.81Å; T264-T308 VanDerWaalsContact OG1-O 3.09Å; V294-T308 WeakPolarHBondContact O-CA 3.45Å; V294-T308 WeakPolarHBondContact O-CB 3.36Å; V294-T308 PolarHBondContact O-OG1 3.26Å; Y295-T308 WeakPolarHBondContact CD1-OG1 3.3Å; Y295-T308 WeakPolarHBondContact CE1-OG1 3.09Å; T308-L330 HydrophobicContact CG2-CD2 3.91Å
309K93.5Very high87.6Confident1 Ų135.3 Ų35.30%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-105.4125.9166.8-176.5-159.7168.1-690108.3E177 E178 Y180 T264 N265 K270 V294E177-K309 WeakPolarHBondContact O-CE 3.43Å; E178-K309 PolarHBondContact O-NZ 2.78Å; Y180-K309 HydrophobicContact CD1-CD 3.99Å; Y180-K309 WeakPolarHBondContact O-CD 3.48Å; Y180-K309 VanDerWaalsContact O-CE 3.31Å; Y180-K309 WeakPolarHBondContact O-CE 3.48Å; Y180-K309 PolarHBondContact O-NZ 3.11Å; T264-K309 CarbonylContact O-C 3.58Å; T264-K309 WeakPolarHBondContact O-CA 3.46Å; N265-K309 WeakPolarHBondContact O-CE 3.15Å; N265-K309 WeakPolarHBondContact O-CG 3.43Å; N265-K309 PolarHBondContact O-NZ 2.82Å; N265-K309 VanDerWaalsContact O-NZ 3.12Å; K270-K309 HydrophobicContact CB-CB 4.09Å; K270-K309 HydrophobicContact CD-CB 3.57Å; K270-K309 HydrophobicContact CG-CB 4.43Å; V294-K309 HydrophobicContact CG1-CB 4.03Å
310L91.6Very high87.1Confident0 Ų035.9 Ų35.90%018%0.184CC..  trans-67.3131.7169.4-61.4177.1000109.1I263 T264 M312 V313 I326 Y546 V549I263-L310 HydrophobicContact CG2-CD1 3.64Å; I263-L310 HydrophobicContact CG2-CD2 4.06Å; I263-L310 HydrophobicContact CG2-CG 3.7Å; T264-L310 WeakPolarHBondContact O-CG 3.36Å; T264-L310 PolarHBondContact O-N 3.4Å; L310-M312 PolarHBondContact O-N 3.25Å; L310-V313 HydrophobicContact CB-CG1 3.82Å; L310-V313 HydrophobicContact CD1-CG1 3.4Å; L310-V313 VanDerWaalsContact CD1-CG1 3.4Å; L310-V313 HydrophobicContact CG-CG1 4.26Å; L310-I326 HydrophobicContact CD2-CB 4.05Å; L310-I326 HydrophobicContact CD2-CG2 3.77Å; L310-Y546 HydrophobicContact CD1-CE1 4.28Å; L310-V549 HydrophobicContact CD1-CG2 3.54Å
311P81.4Confident86.5Confident9 Ų940.3 Ų40.36%0.05821%0.207CC..SBendtrans-59.8-35.4176.5-28.238.2000113.3E178 N182 I326E178-P311 VanDerWaalsContact O-O 3.07Å; N182-P311 WeakPolarHBondContact ND2-CB 3.38Å; P311-I326 HydrophobicContact CB-CD1 4.46Å; P311-I326 HydrophobicContact CG-CD1 3.26Å
312M78.2Confident86.1Confident65 Ų6538.9 Ų38.932%0.3219%0.192SC..  trans-159.5135.3-177.7-166.1169.935.500109L310 Q318 A319L310-M312 PolarHBondContact O-N 3.25Å; M312-Q318 HydrophobicContact CE-CB 3.98Å; M312-Q318 HydrophobicContact CE-CG 3.63Å; M312-A319 HydrophobicContact CB-CB 4.29Å; M312-A319 HydrophobicContact CE-CB 4.11Å; M312-A319 HydrophobicContact CG-CB 3.58Å; M312-A319 HydrophobicContact SD-CB 3.96Å
313V74.7Confident85.9Confident7 Ų735.1 Ų35.14%0.04217%0.168CC..  trans-130.4152.8165.7-55.30000109N265 L310 A544 R574N265-V313 HydrophobicContact CB-CG1 4.24Å; N265-V313 HydrophobicContact CB-CG2 3.96Å; N265-V313 WeakPolarHBondContact ND2-CG2 3.23Å; N265-V313 WeakPolarHBondContact OD1-CG2 3.15Å; L310-V313 HydrophobicContact CB-CG1 3.82Å; L310-V313 HydrophobicContact CD1-CG1 3.4Å; L310-V313 VanDerWaalsContact CD1-CG1 3.4Å; L310-V313 HydrophobicContact CG-CG1 4.26Å; V313-A544 HydrophobicContact CG2-CB 4.01Å; V313-R574 PolarHBondContact O-NH2 2.93Å
314G72.9Confident85.6Confident2 Ų234.9 Ų34.92%0.02117%0.168CC..SBendtrans126.7-152.517400000114.2E316 E545G314-E316 PolarHBondContact O-N 2.85Å; G314-E545 WeakPolarHBondContact CA-OE2 3.21Å
315R71.4Confident85.3Confident92 Ų9235 Ų3535%0.34717%0.174SC..SBendtrans-71.8-27.9-151.5-56.1178.1-175.31798.4114.2R521 D525 E545 E572R315-R521 HydrophobicContact CG-CB 4.47Å; R315-D525 IonicContact CZ-OD1 3.06Å; R315-D525 IonicContact NH1-OD1 3.88Å; R315-D525 PolarHBondContact NH1-OD1 2.98Å; R315-D525 IonicContact NH2-OD1 3.28Å; R315-E545 WeakPolarHBondContact CA-OE2 3.41Å; R315-E545 PolarHBondContact N-OE2 3.42Å; R315-E545 VanDerWaalsContact N-OE2 3.14Å; R315-E572 IonicContact CZ-OE2 3.15Å; R315-E572 IonicContact NH2-OE1 3.67Å; R315-E572 PolarHBondContact NH2-OE1 3.4Å; R315-E572 IonicContact NH2-OE2 3.55Å; R315-E572 PolarHBondContact NH2-OE2 3.45Å
316E76.5Confident84.8Confident132 Ų13235 Ų3562%0.61717%0.174SC*.SBendtrans-78.2145.7-176-63.5-173.3-178.600112G314 Q318 A319 K320G314-E316 PolarHBondContact O-N 2.85Å; E316-Q318 PolarHBondContact O-N 3.29Å; E316-Q318 VanDerWaalsContact O-N 3.16Å; E316-A319 HydrophobicContact CB-CB 4.42Å; E316-A319 WeakPolarHBondContact O-CA 3.38Å; E316-A319 WeakPolarHBondContact O-CB 3.49Å; E316-A319 PolarHBondContact O-N 2.91Å; E316-K320 PolarHBondContact O-N 3.39Å; E316-K320 VanDerWaalsContact O-N 3.08Å
317L79.9Confident84.6Confident129 Ų12935 Ų3568%0.67517%0.174SC*.Hα-helixtrans-53.6-38.8175.6177.760.4000111.7A319 K320 I321L317-A319 VanDerWaalsContact C-N 3.32Å; L317-A319 PolarHBondContact O-N 2.81Å; L317-K320 PolarHBondContact O-N 3.45Å; L317-I321 HydrophobicContact CD1-CD1 3.93Å; L317-I321 HydrophobicContact CD1-CG1 4.13Å; L317-I321 HydrophobicContact CD2-CD1 4.43Å; L317-I321 HydrophobicContact CG-CD1 3.77Å; L317-I321 HydrophobicContact CG-CG1 4.4Å; L317-I321 VanDerWaalsContact O-CG1 3.28Å; L317-I321 WeakPolarHBondContact O-CG1 3.38Å; L317-I321 PolarHBondContact O-N 2.99Å
318Q81.1Confident84.4Confident101 Ų10137.9 Ų37.947%0.47219%0.192SC..Hα-helixtrans-62.4-39.8177.4-171.460.742.100111.8M312 E316 I321 S322M312-Q318 HydrophobicContact CE-CB 3.98Å; M312-Q318 HydrophobicContact CE-CG 3.63Å; E316-Q318 PolarHBondContact O-N 3.29Å; E316-Q318 VanDerWaalsContact O-N 3.16Å; Q318-I321 PolarHBondContact O-N 3.27Å; Q318-S322 WeakPolarHBondContact O-CB 3.29Å; Q318-S322 PolarHBondContact O-N 3.09Å
319A82.1Confident84Confident2 Ų241.6 Ų41.62%0.01721%0.206CC..Hα-helixtrans-66.3-41.6177.400000111.8M312 E316 L317 S322 S323M312-A319 HydrophobicContact CB-CB 4.29Å; M312-A319 HydrophobicContact CE-CB 4.11Å; M312-A319 HydrophobicContact CG-CB 3.58Å; M312-A319 HydrophobicContact SD-CB 3.96Å; E316-A319 HydrophobicContact CB-CB 4.42Å; E316-A319 WeakPolarHBondContact O-CA 3.38Å; E316-A319 WeakPolarHBondContact O-CB 3.49Å; E316-A319 PolarHBondContact O-N 2.91Å; L317-A319 VanDerWaalsContact C-N 3.32Å; L317-A319 PolarHBondContact O-N 2.81Å; A319-S322 PolarHBondContact O-N 2.71Å; A319-S323 WeakPolarHBondContact O-CB 3.41Å; A319-S323 PolarHBondContact O-N 3.01Å; A319-S323 PolarHBondContact O-OG 3.12Å
320K84.7Confident83.9Confident45 Ų4541.5 Ų41.520%0.19621%0.206CC..Hα-helixtrans-62.3-49.2174.9-65.5-175176.7-171.70111.5E316 L317 S322 S323 G324 Y399 Q548E316-K320 PolarHBondContact O-N 3.39Å; E316-K320 VanDerWaalsContact O-N 3.08Å; L317-K320 PolarHBondContact O-N 3.45Å; K320-S322 VanDerWaalsContact C-N 3.31Å; K320-S322 PolarHBondContact O-N 2.68Å; K320-S323 PolarHBondContact O-OG 3.41Å; K320-S323 VanDerWaalsContact O-OG 3.13Å; K320-G324 PolarHBondContact O-N 2.94Å; K320-G324 VanDerWaalsContact O-N 3.09Å; K320-Y399 PolarHBondContact NZ-OH 3.01Å; K320-Q548 HydrophobicContact CB-CG 4.47Å; K320-Q548 VanDerWaalsContact O-CG 3.3Å; K320-Q548 WeakPolarHBondContact O-CG 3.37Å
321I85.9Confident83.9Confident93 Ų9341.9 Ų41.948%0.47721%0.208SC..Hα-helixtrans-59.4-44.8177.3-67168000110.6L317 Q318 S325L317-I321 HydrophobicContact CD1-CD1 3.93Å; L317-I321 HydrophobicContact CD1-CG1 4.13Å; L317-I321 HydrophobicContact CD2-CD1 4.43Å; L317-I321 HydrophobicContact CG-CD1 3.77Å; L317-I321 HydrophobicContact CG-CG1 4.4Å; L317-I321 VanDerWaalsContact O-CG1 3.28Å; L317-I321 WeakPolarHBondContact O-CG1 3.38Å; L317-I321 PolarHBondContact O-N 2.99Å; Q318-I321 PolarHBondContact O-N 3.27Å; I321-S325 WeakPolarHBondContact O-CB 2.98Å; I321-S325 PolarHBondContact O-N 3.08Å
322S85.8Confident84.3Confident1 Ų143 Ų431%0.00722%0.222CC..Hα-helixtrans-59.8-60.3-179.8-167.30000111.9E291 Q318 A319 K320 G324 S325 I326E291-S322 VanDerWaalsContact OE1-CA 3.26Å; E291-S322 WeakPolarHBondContact OE1-CA 3.4Å; E291-S322 WeakPolarHBondContact OE1-CB 3.25Å; E291-S322 PolarHBondContact OE1-OG 3.46Å; E291-S322 PolarHBondContact OE2-OG 3.18Å; Q318-S322 WeakPolarHBondContact O-CB 3.29Å; Q318-S322 PolarHBondContact O-N 3.09Å; A319-S322 PolarHBondContact O-N 2.71Å; K320-S322 VanDerWaalsContact C-N 3.31Å; K320-S322 PolarHBondContact O-N 2.68Å; S322-G324 VanDerWaalsContact C-N 3.35Å; S322-G324 PolarHBondContact O-N 3.14Å; S322-S325 PolarHBondContact O-N 3.14Å; S322-I326 WeakPolarHBondContact O-CB 2.84Å; S322-I326 WeakPolarHBondContact O-CG1 3.17Å; S322-I326 PolarHBondContact O-N 3.24Å
323S89.4Confident84.6Confident2 Ų241 Ų411%0.01422%0.215CC..Hα-helixtrans-58-44.5-176.956.20000112.5A319 K320 T327A319-S323 WeakPolarHBondContact O-CB 3.41Å; A319-S323 PolarHBondContact O-N 3.01Å; A319-S323 PolarHBondContact O-OG 3.12Å; K320-S323 PolarHBondContact O-OG 3.41Å; K320-S323 VanDerWaalsContact O-OG 3.13Å; S323-T327 WeakPolarHBondContact O-CB 3.38Å; S323-T327 PolarHBondContact O-N 3.46Å; S323-T327 VanDerWaalsContact O-N 3.11Å; S323-T327 PolarHBondContact O-OG1 3.39Å
324G89Confident85.4Confident6 Ų640.8 Ų40.86%0.06221%0.213CC..Hα-helixtrans-66.6-46.2176.900000113.5K320 S322 I326 T327 T328 S552K320-G324 PolarHBondContact O-N 2.94Å; K320-G324 VanDerWaalsContact O-N 3.09Å; S322-G324 VanDerWaalsContact C-N 3.35Å; S322-G324 PolarHBondContact O-N 3.14Å; G324-I326 VanDerWaalsContact C-N 3.29Å; G324-I326 PolarHBondContact O-N 2.88Å; G324-T327 PolarHBondContact O-N 3.32Å; G324-T328 WeakPolarHBondContact O-CB 3.48Å; G324-T328 PolarHBondContact O-N 3.39Å; G324-T328 PolarHBondContact O-OG1 3.08Å; G324-S552 VanDerWaalsContact CA-OG 3.23Å; G324-S552 WeakPolarHBondContact CA-OG 3.42Å; G324-S552 PolarHBondContact O-OG 3.43Å
325S87.8Confident86.2Confident47 Ų4748.7 Ų48.733%0.32925%0.25SS..Hα-helixtrans-58.8-41.5178.7176.80000111.9I321 S322 R329I321-S325 WeakPolarHBondContact O-CB 2.98Å; I321-S325 PolarHBondContact O-N 3.08Å; S322-S325 PolarHBondContact O-N 3.14Å; S325-R329 WeakPolarHBondContact O-CB 3.17Å; S325-R329 VanDerWaalsContact O-CG 3.24Å; S325-R329 WeakPolarHBondContact O-CG 3.5Å; S325-R329 PolarHBondContact O-N 3.29Å; S325-R329 PolarHBondContact O-NE 3.45Å; S325-R329 PolarHBondContact OG-NE 3.46Å; S325-R329 PolarHBondContact OG-NH2 3.48Å
326I87.6Confident87.1Confident0 Ų046.2 Ų46.20%025%0.249CC..Hα-helixtrans-73.4-43.3-176.1-68.1175.9000111.4H293 L310 P311 S322 G324 T328 R329 L330H293-I326 WeakPolarHBondContact CD2-CD1 3.2Å; H293-I326 WeakPolarHBondContact CD2-CG1 3.45Å; H293-I326 WeakPolarHBondContact NE2-CD1 3.32Å; H293-I326 WeakPolarHBondContact NE2-CG1 3.22Å; L310-I326 HydrophobicContact CD2-CB 4.05Å; L310-I326 HydrophobicContact CD2-CG2 3.77Å; P311-I326 HydrophobicContact CB-CD1 4.46Å; P311-I326 HydrophobicContact CG-CD1 3.26Å; S322-I326 WeakPolarHBondContact O-CB 2.84Å; S322-I326 WeakPolarHBondContact O-CG1 3.17Å; S322-I326 PolarHBondContact O-N 3.24Å; G324-I326 VanDerWaalsContact C-N 3.29Å; G324-I326 PolarHBondContact O-N 2.88Å; I326-T328 VanDerWaalsContact C-N 3.33Å; I326-R329 VanDerWaalsContact CG1-NH2 3.27Å; I326-R329 PolarHBondContact O-N 2.98Å; I326-L330 WeakPolarHBondContact O-CB 3.19Å; I326-L330 PolarHBondContact O-N 2.93Å
327T92.3Very high88Confident0 Ų040.3 Ų40.30%022%0.222CC..Hα-helixtrans-59.5-48174.5-56.30000110.1I263 S323 G324 R329 L330 L331 V549 V553I263-T327 HydrophobicContact CD1-CG2 3.79Å; S323-T327 WeakPolarHBondContact O-CB 3.38Å; S323-T327 PolarHBondContact O-N 3.46Å; S323-T327 VanDerWaalsContact O-N 3.11Å; S323-T327 PolarHBondContact O-OG1 3.39Å; G324-T327 PolarHBondContact O-N 3.32Å; T327-R329 VanDerWaalsContact C-N 3.33Å; T327-R329 PolarHBondContact O-N 2.85Å; T327-L330 PolarHBondContact O-N 3.09Å; T327-L331 HydrophobicContact CG2-CD1 3.97Å; T327-L331 WeakPolarHBondContact O-CG 3.42Å; T327-L331 PolarHBondContact O-N 2.92Å; T327-V549 HydrophobicContact CG2-CG1 4Å; T327-V553 HydrophobicContact CG2-CG2 3.97Å
328T91.1Very high88.7Confident62 Ų6238 Ų3838%0.3821%0.208SC..Hα-helixtrans-60-41.8176.7-58.80000112G324 I326 G332 S552G324-T328 WeakPolarHBondContact O-CB 3.48Å; G324-T328 PolarHBondContact O-N 3.39Å; G324-T328 PolarHBondContact O-OG1 3.08Å; I326-T328 VanDerWaalsContact C-N 3.33Å; T328-G332 PolarHBondContact O-N 3.42Å; T328-S552 PolarHBondContact OG1-OG 3.01Å
329R87.9Confident89.5Confident77 Ų7733.7 Ų33.729%0.29119%0.188SC..Hα-helixtrans-70-38.3179-76.8-178.1-75.4129.4-11.6113E291 H293 S325 I326 T327 A333E291-R329 IonicContact OE2-NH2 2.65Å; E291-R329 PolarHBondContact OE2-NH2 2.86Å; H293-R329 PolarHBondContact CE1-NH1 3.08Å; H293-R329 PolarHBondContact CE1-NH2 2.92Å; H293-R329 PolarHBondContact ND1-NH1 3.47Å; H293-R329 VanDerWaalsContact NE2-CZ 3.3Å; H293-R329 PolarHBondContact NE2-NH1 3.28Å; H293-R329 PolarHBondContact NE2-NH2 3.03Å; S325-R329 WeakPolarHBondContact O-CB 3.17Å; S325-R329 VanDerWaalsContact O-CG 3.24Å; S325-R329 WeakPolarHBondContact O-CG 3.5Å; S325-R329 PolarHBondContact O-N 3.29Å; S325-R329 PolarHBondContact O-NE 3.45Å; S325-R329 PolarHBondContact OG-NE 3.46Å; S325-R329 PolarHBondContact OG-NH2 3.48Å; I326-R329 VanDerWaalsContact CG1-NH2 3.27Å; I326-R329 PolarHBondContact O-N 2.98Å; T327-R329 VanDerWaalsContact C-N 3.33Å; T327-R329 PolarHBondContact O-N 2.85Å; R329-A333 WeakPolarHBondContact O-CB 3.37Å; R329-A333 PolarHBondContact O-N 3.28Å
330L90.6Very high90.2Very high0 Ų033.6 Ų33.60%019%0.187CC..Hα-helixtrans-59.8-56.8173.3172.170.9000109.6A261 I263 Y295 I306 T308 I326 T327 G332 A333 F334A261-L330 HydrophobicContact CB-CD2 4.13Å; I263-L330 HydrophobicContact CD1-CD2 4.49Å; I263-L330 HydrophobicContact CG1-CD2 4.23Å; Y295-L330 HydrophobicContact CD1-CD1 3.77Å; Y295-L330 HydrophobicContact CE1-CB 4.2Å; Y295-L330 HydrophobicContact CE1-CD1 3.51Å; Y295-L330 HydrophobicContact CE1-CG 4.35Å; I306-L330 HydrophobicContact CD1-CD1 3.58Å; I306-L330 HydrophobicContact CG1-CD1 4.04Å; I306-L330 HydrophobicContact CG2-CD1 4.22Å; T308-L330 HydrophobicContact CG2-CD2 3.91Å; I326-L330 WeakPolarHBondContact O-CB 3.19Å; I326-L330 PolarHBondContact O-N 2.93Å; T327-L330 PolarHBondContact O-N 3.09Å; L330-G332 PolarHBondContact O-N 3.08Å; L330-A333 PolarHBondContact O-N 3.23Å; L330-F334 HydrophobicContact CD1-CD2 3.72Å; L330-F334 HydrophobicContact CD1-CE2 4.03Å; L330-F334 WeakPolarHBondContact O-CD2 3.38Å; L330-F334 PolarHBondContact O-N 2.88Å
331L92Very high90.9Very high7 Ų731.5 Ų31.54%0.03718%0.177CC..Hα-helixtrans-68.8-36.3-173.9-61.1178.5000112.4A261 T327 A333 F334 V337 V340 V553 N556 L558A261-L331 HydrophobicContact CB-CD2 4.13Å; T327-L331 HydrophobicContact CG2-CD1 3.97Å; T327-L331 WeakPolarHBondContact O-CG 3.42Å; T327-L331 PolarHBondContact O-N 2.92Å; L331-A333 VanDerWaalsContact C-N 3.33Å; L331-A333 PolarHBondContact O-N 3.1Å; L331-F334 CarbonylContact O-C 3.55Å; L331-V337 HydrophobicContact CD2-CB 4.41Å; L331-V337 HydrophobicContact CD2-CG1 3.93Å; L331-V340 HydrophobicContact CD2-CG2 4.13Å; L331-V553 HydrophobicContact CD1-CB 4.4Å; L331-V553 HydrophobicContact CD1-CG2 4.05Å; L331-N556 HydrophobicContact CB-CB 4.13Å; L331-N556 HydrophobicContact CD1-CB 4.18Å; L331-L558 HydrophobicContact CB-CD1 4.46Å; L331-L558 HydrophobicContact CD1-CD1 3.68Å; L331-L558 HydrophobicContact CD2-CD1 3.67Å; L331-L558 HydrophobicContact CG-CD1 4.12Å
332G88.5Confident91.5Very high34 Ų3427 Ų2735%0.35116%0.155SC..Hα-helixtrans-68-30.9173.800000113.7T328 L330 Q335T328-G332 PolarHBondContact O-N 3.42Å; L330-G332 PolarHBondContact O-N 3.08Å; G332-Q335 WeakPolarHBondContact O-CG 3.32Å
333A86.1Confident92.1Very high22 Ų2227 Ų2718%0.18216%0.155CC..Hα-helixtrans-78.6-38.1176.700000112.4M249 S253 R329 L330 L331M249-A333 HydrophobicContact CE-CB 3.72Å; M249-A333 HydrophobicContact CG-CB 4.24Å; M249-A333 HydrophobicContact SD-CB 4.24Å; S253-A333 VanDerWaalsContact CB-O 3.27Å; S253-A333 WeakPolarHBondContact CB-O 3.24Å; S253-A333 PolarHBondContact OG-O 3.11Å; R329-A333 WeakPolarHBondContact O-CB 3.37Å; R329-A333 PolarHBondContact O-N 3.28Å; L330-A333 PolarHBondContact O-N 3.23Å; L331-A333 VanDerWaalsContact C-N 3.33Å; L331-A333 PolarHBondContact O-N 3.1Å
334F89.9Confident92.5Very high2 Ų227 Ų271%0.00915%0.154CC..  trans-109.170.6-177.2-62.6-83.2000110.6M249 P258 I297 I306 L330 L331 A336 V337M249-F334 HydrophobicContact CG-CE2 4.28Å; M249-F334 HydrophobicContact CG-CZ 4.37Å; P258-F334 HydrophobicContact CG-CB 4.26Å; P258-F334 HydrophobicContact CG-CD1 3.5Å; P258-F334 VanDerWaalsContact CG-CD1 3.5Å; P258-F334 HydrophobicContact CG-CE1 4.07Å; P258-F334 HydrophobicContact CG-CG 4.06Å; I297-F334 HydrophobicContact CD1-CE1 3.94Å; I297-F334 HydrophobicContact CD1-CZ 4.1Å; I306-F334 HydrophobicContact CD1-CD1 4.28Å; I306-F334 HydrophobicContact CD1-CD2 3.65Å; I306-F334 HydrophobicContact CD1-CE1 3.88Å; I306-F334 HydrophobicContact CD1-CE2 3.23Å; I306-F334 HydrophobicContact CD1-CG 4.16Å; I306-F334 HydrophobicContact CD1-CZ 3.35Å; L330-F334 HydrophobicContact CD1-CD2 3.72Å; L330-F334 HydrophobicContact CD1-CE2 4.03Å; L330-F334 WeakPolarHBondContact O-CD2 3.38Å; L330-F334 PolarHBondContact O-N 2.88Å; L331-F334 CarbonylContact O-C 3.55Å; F334-A336 PolarHBondContact O-N 2.89Å; F334-A336 VanDerWaalsContact O-N 3.08Å; F334-V337 HydrophobicContact CB-CG2 3.93Å; F334-V337 WeakPolarHBondContact O-CB 3.49Å; F334-V337 VanDerWaalsContact O-CG2 3.31Å; F334-V337 WeakPolarHBondContact O-CG2 3.36Å; F334-V337 PolarHBondContact O-N 2.86Å
335Q89.6Confident92.9Very high169 Ų16926.9 Ų26.979%0.7915%0.153SC*.THydrogen-bonded Turntrans-66-11.4-175-62.2-175.7-6.900114.6G332 V337G332-Q335 WeakPolarHBondContact O-CG 3.32Å; Q335-V337 VanDerWaalsContact C-N 3.26Å
336A91.8Very high93.2Very high39 Ų3924.7 Ų24.732%0.32214%0.137SC..THydrogen-bonded Turntrans-77.5-10.6173.400000113.1K257 P258 T259 F334 Q338K257-A336 HydrophobicContact CB-CB 4.32Å; P258-A336 CarbonylContact O-C 3.5Å; T259-A336 WeakPolarHBondContact CA-O 3.39Å; F334-A336 PolarHBondContact O-N 2.89Å; F334-A336 VanDerWaalsContact O-N 3.08Å; A336-Q338 PolarHBondContact O-N 3.41Å
337V94.8Very high93.6Very high8 Ų824.7 Ų24.75%0.04814%0.137CC..  trans-63.7129.7176.9171.10000109.9P258 T259 A261 I306 L331 F334 Q335 V340 L558P258-V337 PolarHBondContact O-N 2.82Å; T259-V337 WeakPolarHBondContact O-CA 3.49Å; A261-V337 HydrophobicContact CB-CG1 3.72Å; A261-V337 HydrophobicContact CB-CG2 4.14Å; I306-V337 HydrophobicContact CG2-CG2 4.38Å; L331-V337 HydrophobicContact CD2-CB 4.41Å; L331-V337 HydrophobicContact CD2-CG1 3.93Å; F334-V337 HydrophobicContact CB-CG2 3.93Å; F334-V337 WeakPolarHBondContact O-CB 3.49Å; F334-V337 VanDerWaalsContact O-CG2 3.31Å; F334-V337 WeakPolarHBondContact O-CG2 3.36Å; F334-V337 PolarHBondContact O-N 2.86Å; Q335-V337 VanDerWaalsContact C-N 3.26Å; V337-V340 HydrophobicContact CG1-CG2 4.16Å; V337-L558 HydrophobicContact CG1-CD1 4.17Å; V337-L558 VanDerWaalsContact O-CD2 3.25Å; V337-L558 WeakPolarHBondContact O-CD2 3.44Å
338Q94.8Very high93.6Very high82 Ų8224.7 Ų24.738%0.38314%0.137SC..  trans-119.2-31.9178.3-70.2168.6-30.500111.8T259 A336 S560T259-Q338 PolarHBondContact O-N 3.17Å; A336-Q338 PolarHBondContact O-N 3.41Å; Q338-S560 WeakPolarHBondContact O-CB 3.35Å
339H97.5Very high93.6Very high10 Ų1022.2 Ų22.25%0.04612%0.122CC..EExtended strand (participates in β ladder)trans-117.8134.7-178.8-52.4-57.7000110.7T259 I260 A261 F341 L430 S560T259-H339 PolarHBondContact O-N 3.23Å; I260-H339 WeakPolarHBondContact CA-O 3.4Å; I260-H339 HydrophobicContact CG1-CB 4.39Å; I260-H339 HydrophobicContact CG2-CB 4.47Å; A261-H339 PolarHBondContact N-O 3.27Å; H339-F341 HydrophobicContact CB-CE2 4.22Å; H339-L430 HydrophobicContact CB-CD1 4.47Å; H339-L430 HydrophobicContact CB-CD2 4.17Å; H339-S560 WeakPolarHBondContact CA-O 3.25Å; H339-S560 PolarHBondContact ND1-OG 3.4Å
340V98.2Very high93.6Very high0 Ų020.1 Ų20.10%012%0.118CC..EExtended strand (participates in β ladder)trans-118.7124.7176-173.90000110.6A261 I263 L331 V337 L342 V553 L558 S560 F561 I562A261-V340 HydrophobicContact CB-CG2 4.41Å; A261-V340 CarbonylContact O-C 3.48Å; A261-V340 WeakPolarHBondContact O-CA 3.37Å; I263-V340 HydrophobicContact CD1-CG1 3.85Å; I263-V340 HydrophobicContact CG1-CG1 4.28Å; L331-V340 HydrophobicContact CD2-CG2 4.13Å; V337-V340 HydrophobicContact CG1-CG2 4.16Å; V340-L342 HydrophobicContact CG1-CD1 4.17Å; V340-V553 HydrophobicContact CB-CG1 4.25Å; V340-V553 HydrophobicContact CB-CG2 4.47Å; V340-V553 HydrophobicContact CG1-CG2 3.96Å; V340-V553 HydrophobicContact CG2-CG1 4.04Å; V340-V553 HydrophobicContact CG2-CG2 4.45Å; V340-L558 HydrophobicContact CG2-CD1 3.61Å; V340-S560 PolarHBondContact N-O 3.33Å; V340-F561 HydrophobicContact CB-CB 4Å; V340-F561 CarbonylContact O-C 3.56Å; V340-F561 WeakPolarHBondContact O-CA 3.35Å; V340-F561 WeakPolarHBondContact O-CB 3.23Å; V340-I562 PolarHBondContact O-N 2.97Å
341F98.7Very high93.4Very high0 Ų021.2 Ų21.20%012%0.123CC..EExtended strand (participates in β ladder)trans-106.3128.3172.5-70.2-102.6000109I260 A261 I262 I263 H339 V343 L430 I562 I564 M591 I594 I595 L598I260-F341 HydrophobicContact CG2-CD2 3.52Å; I260-F341 HydrophobicContact CG2-CE2 3.64Å; A261-F341 PolarHBondContact O-N 3.18Å; I262-F341 CarbonylContact C-O 3.54Å; I262-F341 WeakPolarHBondContact CA-O 3.32Å; I262-F341 HydrophobicContact CG1-CB 4.27Å; I262-F341 HydrophobicContact CG2-CB 4.34Å; I263-F341 PolarHBondContact N-O 2.89Å; H339-F341 HydrophobicContact CB-CE2 4.22Å; F341-V343 HydrophobicContact CB-CG2 3.83Å; F341-L430 HydrophobicContact CE2-CD1 4.39Å; F341-L430 HydrophobicContact CE2-CD2 4Å; F341-L430 HydrophobicContact CZ-CD1 4.34Å; F341-L430 HydrophobicContact CZ-CD2 3.68Å; F341-I562 CarbonylContact C-O 3.13Å; F341-I562 WeakPolarHBondContact CA-O 3.42Å; F341-I562 HydrophobicContact CD1-CG2 3.39Å; F341-I562 HydrophobicContact CE1-CG2 3.59Å; F341-I562 HydrophobicContact CG-CG2 4.1Å; F341-I562 HydrophobicContact CZ-CG2 4.42Å; F341-I564 HydrophobicContact CD1-CD1 3.89Å; F341-I564 HydrophobicContact CE1-CD1 4.28Å; F341-M591 HydrophobicContact CB-CG 4.45Å; F341-M591 HydrophobicContact CD1-CG 3.73Å; F341-M591 HydrophobicContact CE1-CG 4.19Å; F341-M591 HydrophobicContact CG-CG 4.18Å; F341-I594 HydrophobicContact CE1-CB 4.25Å; F341-I594 HydrophobicContact CE1-CD1 4.42Å; F341-I594 HydrophobicContact CE1-CG2 3.87Å; F341-I594 HydrophobicContact CZ-CG2 3.98Å; F341-I595 HydrophobicContact CD2-CD1 4.49Å; F341-I595 HydrophobicContact CE1-CG1 4.21Å; F341-I595 HydrophobicContact CE2-CD1 4.26Å; F341-I595 HydrophobicContact CE2-CG1 3.87Å; F341-I595 HydrophobicContact CZ-CD1 4.38Å; F341-I595 HydrophobicContact CZ-CG1 3.66Å; F341-L598 HydrophobicContact CE2-CD1 4.48Å; F341-L598 HydrophobicContact CZ-CD1 4.47Å
342L98.1Very high92.9Very high0 Ų021.4 Ų21.40%012%0.124CC..EExtended strand (participates in β ladder)trans-104.8101170.2-59.989.1000107.3I263 V340 Y546 V549 L550 F561 I562 L563 I564I263-L342 WeakPolarHBondContact O-CA 3.2Å; V340-L342 HydrophobicContact CG1-CD1 4.17Å; L342-Y546 HydrophobicContact CD2-CD1 3.58Å; L342-Y546 HydrophobicContact CD2-CE1 4.23Å; L342-Y546 HydrophobicContact CD2-CG 4.25Å; L342-V549 HydrophobicContact CD2-CB 4.29Å; L342-V549 HydrophobicContact CD2-CG1 3.63Å; L342-L550 HydrophobicContact CD1-CD2 4.26Å; L342-L550 HydrophobicContact CD2-CD2 4.13Å; L342-F561 HydrophobicContact CD1-CB 4.42Å; L342-I562 PolarHBondContact N-O 2.82Å; L342-L563 HydrophobicContact CB-CB 4.31Å; L342-L563 HydrophobicContact CB-CD2 4.41Å; L342-L563 HydrophobicContact CB-CG 3.96Å; L342-L563 HydrophobicContact CD1-CG 4.15Å; L342-L563 HydrophobicContact CD2-CD2 4.38Å; L342-L563 HydrophobicContact CD2-CG 4.4Å; L342-L563 HydrophobicContact CG-CG 4.4Å; L342-L563 CarbonylContact O-C 3.52Å; L342-L563 VanDerWaalsContact O-CA 3.29Å; L342-L563 WeakPolarHBondContact O-CA 3.3Å; L342-I564 PolarHBondContact O-N 2.9Å
343V98.6Very high92.6Very high1 Ų121.3 Ų21.31%0.00611%0.114CC..EExtended strand (participates in β ladder)trans-115.5130-169.1-174.60000109.3I262 I263 T264 V273 F341 I564 A587 M591I262-V343 HydrophobicContact CG2-CB 4.22Å; I262-V343 HydrophobicContact CG2-CG2 3.89Å; I263-V343 PolarHBondContact O-N 2.94Å; T264-V343 WeakPolarHBondContact CG2-O 3.45Å; V273-V343 HydrophobicContact CG2-CB 4.09Å; V273-V343 HydrophobicContact CG2-CG1 3.99Å; F341-V343 HydrophobicContact CB-CG2 3.83Å; V343-I564 WeakPolarHBondContact CA-O 3.41Å; V343-I564 HydrophobicContact CG2-CB 4.45Å; V343-A587 HydrophobicContact CG1-CB 3.96Å; V343-M591 HydrophobicContact CG2-CB 4.12Å; V343-M591 HydrophobicContact CG2-CG 3.88Å; V343-M591 HydrophobicContact CG2-SD 3.73Å
344G97.4Very high92.6Very high0 Ų021.6 Ų21.60%011%0.111CC..EExtended strand (participates in β ladder)trans178.1-152.517600000113.6E269 I564 R565 G566E269-G344 VanDerWaalsContact CG-CA 3.5Å; E269-G344 WeakPolarHBondContact OE1-CA 3.45Å; G344-I564 PolarHBondContact N-O 2.94Å; G344-R565 CarbonylContact O-C 3.48Å; G344-R565 VanDerWaalsContact O-CA 3.29Å; G344-R565 WeakPolarHBondContact O-CA 3.43Å; G344-G566 PolarHBondContact O-N 2.79Å
345V97.2Very high92.4Very high5 Ų522.5 Ų22.53%0.0312%0.115CC..EExtended strand (participates in β ladder)trans-99.6153.2176.6-54.90000111.3L266 E269 R565 G566 A568 G573 Q580 A583 A584L266-V345 HydrophobicContact CD1-CG2 3.61Å; E269-V345 HydrophobicContact CG-CG1 4.35Å; E269-V345 WeakPolarHBondContact OE1-CG2 3.39Å; E269-V345 PolarHBondContact OE1-N 3.09Å; V345-R565 WeakPolarHBondContact O-CD 3.26Å; V345-G566 CarbonylContact C-O 3.6Å; V345-G566 WeakPolarHBondContact CA-O 3.49Å; V345-A568 HydrophobicContact CB-CB 3.88Å; V345-A568 HydrophobicContact CG1-CB 4.2Å; V345-A568 HydrophobicContact CG2-CB 4.4Å; V345-G573 VanDerWaalsContact CG2-O 3.24Å; V345-G573 WeakPolarHBondContact CG2-O 3.22Å; V345-Q580 HydrophobicContact CG1-CB 4.23Å; V345-Q580 WeakPolarHBondContact CG1-O 3.44Å; V345-Q580 HydrophobicContact CG2-CG 4.33Å; V345-A583 HydrophobicContact CG1-CB 4.1Å; V345-A584 HydrophobicContact CG1-CB 3.94Å
346G95.4Very high92.3Very high0 Ų018.7 Ų18.70%010%0.098CC..EExtended strand (participates in β ladder)trans-145.8177.3171.800000111Y542 G566 I567 A568 G573G346-Y542 WeakPolarHBondContact CA-O 3.34Å; G346-G566 PolarHBondContact N-O 2.91Å; G346-I567 WeakPolarHBondContact O-CA 3.23Å; G346-A568 PolarHBondContact O-N 3.48Å; G346-G573 VanDerWaalsContact C-CA 3.43Å; G346-G573 WeakPolarHBondContact O-CA 3.36Å
347G94.2Very high92.1Very high0 Ų019.6 Ų19.60%09%0.094CC..EExtended strand (participates in β ladder)trans-108.2133.5177.500000111.7C541 Y542 D569G347-C541 CarbonylContact O-C 3.51Å; G347-C541 VanDerWaalsContact O-CA 3.22Å; G347-C541 WeakPolarHBondContact O-CA 3.22Å; G347-C541 PolarHBondContact O-SG 3.1Å; G347-C541 VanDerWaalsContact O-SG 3.4Å; G347-Y542 PolarHBondContact N-O 2.89Å; G347-Y542 PolarHBondContact O-N 3.48Å; G347-D569 CarbonylContact C-O 3.57Å; G347-D569 VanDerWaalsContact CA-O 3.28Å; G347-D569 WeakPolarHBondContact CA-O 3.49Å; G347-D569 WeakPolarHBondContact CA-OD1 3.14Å
348S93.4Very high92Very high0 Ų019.3 Ų19.30%09%0.092CC..EExtended strand (participates in β ladder)trans-76.8139.5178.6-177.50000111S359 D569 Y570S348-S359 WeakPolarHBondContact OG-CB 3.34Å; S348-S359 PolarHBondContact OG-O 3.18Å; S348-D569 PolarHBondContact N-O 2.65Å; S348-Y570 CarbonylContact O-C 3.53Å; S348-Y570 WeakPolarHBondContact O-CA 3.28Å
349V91.5Very high91.9Very high10 Ų1015.4 Ų15.46%0.0617%0.074CC..  trans-69.1129.9162.8178.30000108.3H351 A534 L539 L540 Y542V349-H351 VanDerWaalsContact C-N 3.31Å; V349-H351 WeakPolarHBondContact CG1-NE2 3.39Å; V349-H351 PolarHBondContact O-N 3.08Å; V349-A534 HydrophobicContact CB-CB 4.47Å; V349-A534 HydrophobicContact CG1-CB 3.69Å; V349-A534 HydrophobicContact CG2-CB 3.87Å; V349-L539 HydrophobicContact CG2-CB 4.08Å; V349-L539 WeakPolarHBondContact CG2-O 3.39Å; V349-L540 PolarHBondContact N-O 2.96Å; V349-Y542 HydrophobicContact CG2-CD2 3.84Å; V349-Y542 HydrophobicContact CG2-CE2 3.7Å
350P86.5Confident91.8Very high33 Ų3319.1 Ų19.121%0.2149%0.088CC..  trans-77.776.1-177.132.6-37.3000111.6V352 L480 L482P350-V352 HydrophobicContact CB-CG1 4.46Å; P350-V352 PolarHBondContact O-N 2.94Å; P350-L480 HydrophobicContact CB-CD1 3.59Å; P350-L480 HydrophobicContact CB-CG 4.39Å; P350-L482 HydrophobicContact CG-CD1 4.3Å
351H87.2Confident91.7Very high24 Ų2419.6 Ų19.611%0.1119%0.09CC..  trans-75.161.4177.5-71.3-66.7000112.6V349 Y353 E354 K357 H358 L539V349-H351 VanDerWaalsContact C-N 3.31Å; V349-H351 WeakPolarHBondContact CG1-NE2 3.39Å; V349-H351 PolarHBondContact O-N 3.08Å; H351-Y353 PolarHBondContact O-N 3.32Å; H351-E354 HydrophobicContact CB-CB 4.39Å; H351-E354 IonicContact ND1-OE1 2.56Å; H351-E354 CarbonylContact O-C 3.43Å; H351-E354 PolarHBondContact O-N 3.25Å; H351-K357 HydrophobicContact CB-CB 3.78Å; H351-K357 VanDerWaalsContact CD2-CB 3.49Å; H351-K357 WeakPolarHBondContact CD2-CB 3.5Å; H351-K357 PolarHBondContact CD2-O 3.14Å; H351-H358 HydrophobicContact CB-CB 4.15Å; H351-L539 PolarHBondContact NE2-O 3.5Å
352V82.3Confident91.5Very high10 Ų1019.7 Ų19.76%0.0619%0.091CC..THydrogen-bonded Turntrans-58.7-18.5-172.6-65.20000115.4L63 P350 L480 I492 P495L63-V352 HydrophobicContact CD1-CB 3.46Å; L63-V352 VanDerWaalsContact CD1-CB 3.46Å; L63-V352 HydrophobicContact CD1-CG1 4.15Å; L63-V352 HydrophobicContact CD1-CG2 3.3Å; P350-V352 HydrophobicContact CB-CG1 4.46Å; P350-V352 PolarHBondContact O-N 2.94Å; V352-L480 HydrophobicContact CG1-CD2 3.54Å; V352-L480 HydrophobicContact CG1-CG 4.39Å; V352-I492 HydrophobicContact CB-CG2 4.35Å; V352-I492 HydrophobicContact CG1-CD1 4.35Å; V352-I492 HydrophobicContact CG1-CG2 3.8Å; V352-P495 WeakPolarHBondContact O-CG 3.29Å
353Y82Confident91.5Very high33 Ų3320.4 Ų20.413%0.12910%0.095CC..THydrogen-bonded Turntrans-103.2-14.1178.7-63.8-69.8000113.3M61 Q62 L63 F86 L98 S101 Y102 H351M61-Y353 HydrophobicContact CB-CD1 3.86Å; M61-Y353 HydrophobicContact CB-CE1 4.33Å; M61-Y353 HydrophobicContact SD-CD1 4.44Å; M61-Y353 HydrophobicContact SD-CG 4.33Å; Q62-Y353 VanDerWaalsContact O-CD1 3.29Å; Q62-Y353 WeakPolarHBondContact O-CD1 3.45Å; L63-Y353 HydrophobicContact CB-CD1 4.47Å; L63-Y353 HydrophobicContact CB-CE1 3.64Å; L63-Y353 HydrophobicContact CD1-CE1 4.13Å; L63-Y353 HydrophobicContact CD1-CE2 4.43Å; L63-Y353 HydrophobicContact CG-CE1 4.46Å; F86-Y353 HydrophobicContact CD2-CE1 4.43Å; F86-Y353 HydrophobicContact CE2-CE1 4.07Å; L98-Y353 HydrophobicContact CD2-CD2 4.49Å; L98-Y353 HydrophobicContact CD2-CG 4.36Å; S101-Y353 PolarHBondContact O-OH 3.44Å; Y102-Y353 HydrophobicContact CD2-CE2 4.21Å; H351-Y353 PolarHBondContact O-N 3.32Å
354E84.7Confident91.5Very high27 Ų2720.4 Ų20.413%0.12610%0.095CC..  trans-126.687-170.5-61.1-176-60.800109.7Q94 L98 H351 E356 K357 H358Q94-E354 PolarHBondContact NE2-OE2 3.48Å; L98-E354 HydrophobicContact CD1-CG 4.39Å; L98-E354 WeakPolarHBondContact CD1-OE2 3.05Å; L98-E354 HydrophobicContact CD2-CG 3.73Å; H351-E354 HydrophobicContact CB-CB 4.39Å; H351-E354 IonicContact ND1-OE1 2.56Å; H351-E354 CarbonylContact O-C 3.43Å; H351-E354 PolarHBondContact O-N 3.25Å; E354-E356 PolarHBondContact O-N 2.85Å; E354-E356 VanDerWaalsContact O-N 3.1Å; E354-K357 HydrophobicContact CB-CB 4.28Å; E354-K357 HydrophobicContact CB-CD 4.4Å; E354-K357 HydrophobicContact CB-CG 4.34Å; E354-K357 PolarHBondContact O-N 2.78Å; E354-K357 VanDerWaalsContact OE1-CD 3.32Å; E354-K357 WeakPolarHBondContact OE1-CD 3.24Å; E354-K357 WeakPolarHBondContact OE1-CE 3.43Å; E354-K357 IonicContact OE1-NZ 3.17Å; E354-K357 PolarHBondContact OE1-NZ 2.94Å; E354-K357 IonicContact OE2-NZ 2.85Å; E354-K357 PolarHBondContact OE2-NZ 3.16Å; E354-H358 PolarHBondContact O-N 3.3Å
355F87.2Confident91.5Very high22 Ų2220.4 Ų20.410%0.09610%0.095CC..THydrogen-bonded Turntrans-48.1-41.6-178.8168.3-98.9000113.4K357 H358 P495 V497 P498 L501 Y505F355-K357 PolarHBondContact O-N 2.91Å; F355-H358 PolarHBondContact O-N 3.24Å; F355-P495 HydrophobicContact CB-CB 4.09Å; F355-P495 HydrophobicContact CD2-CB 4.3Å; F355-V497 HydrophobicContact CE1-CG1 4.25Å; F355-V497 HydrophobicContact CE2-CB 3.97Å; F355-V497 HydrophobicContact CE2-CG1 4.21Å; F355-V497 HydrophobicContact CE2-CG2 3.54Å; F355-V497 HydrophobicContact CZ-CB 3.99Å; F355-V497 HydrophobicContact CZ-CG1 3.7Å; F355-V497 HydrophobicContact CZ-CG2 3.77Å; F355-P498 HydrophobicContact CD1-CG 4.07Å; F355-P498 HydrophobicContact CG-CG 4.46Å; F355-L501 HydrophobicContact CD1-CD1 4.11Å; F355-L501 HydrophobicContact CE1-CD1 3.85Å; F355-Y505 HydrophobicContact CE1-CD2 4.09Å; F355-Y505 HydrophobicContact CE1-CE1 4.28Å; F355-Y505 AromaticContact CE1-CE2 3.59Å; F355-Y505 HydrophobicContact CE1-CE2 3.59Å; F355-Y505 AromaticContact CE1-CZ 3.69Å; F355-Y505 AromaticContact CZ-CD1 3.98Å; F355-Y505 HydrophobicContact CZ-CD1 3.98Å; F355-Y505 AromaticContact CZ-CD2 3.76Å; F355-Y505 HydrophobicContact CZ-CD2 3.76Å; F355-Y505 AromaticContact CZ-CE1 3.87Å; F355-Y505 HydrophobicContact CZ-CE1 3.87Å; F355-Y505 AromaticContact CZ-CE2 3.67Å; F355-Y505 HydrophobicContact CZ-CE2 3.67Å; F355-Y505 AromaticContact CZ-CG 3.93Å; F355-Y505 HydrophobicContact CZ-CG 3.93Å; F355-Y505 AromaticContact CZ-CZ 3.72Å
356E86.1Confident91.5Very high89 Ų8920.1 Ų20.142%0.4169%0.093SC..THydrogen-bonded Turntrans-65.1-27.2-177.1-57.9-165.5146.100112.8E354 H376 R513E354-E356 PolarHBondContact O-N 2.85Å; E354-E356 VanDerWaalsContact O-N 3.1Å; E356-H376 WeakPolarHBondContact OE1-CA 3.32Å; E356-H376 WeakPolarHBondContact OE1-CB 3.46Å; E356-H376 IonicContact OE1-CG 3.24Å; E356-H376 IonicContact OE1-ND1 3.79Å; E356-H376 PolarHBondContact OE1-ND1 3.29Å; E356-R513 VanDerWaalsContact O-CD 3.25Å; E356-R513 WeakPolarHBondContact O-CD 3.28Å; E356-R513 PolarHBondContact O-NE 2.96Å; E356-R513 VanDerWaalsContact O-NE 3.1Å
357K89.4Confident91.5Very high57 Ų5720.2 Ų20.225%0.2489%0.094CC..THydrogen-bonded Turntrans-94.5-22.4176.5-60.6-172.7-166.5156.10113H351 E354 F355 S359 L540H351-K357 HydrophobicContact CB-CB 3.78Å; H351-K357 VanDerWaalsContact CD2-CB 3.49Å; H351-K357 WeakPolarHBondContact CD2-CB 3.5Å; H351-K357 PolarHBondContact CD2-O 3.14Å; E354-K357 HydrophobicContact CB-CB 4.28Å; E354-K357 HydrophobicContact CB-CD 4.4Å; E354-K357 HydrophobicContact CB-CG 4.34Å; E354-K357 PolarHBondContact O-N 2.78Å; E354-K357 VanDerWaalsContact OE1-CD 3.32Å; E354-K357 WeakPolarHBondContact OE1-CD 3.24Å; E354-K357 WeakPolarHBondContact OE1-CE 3.43Å; E354-K357 IonicContact OE1-NZ 3.17Å; E354-K357 PolarHBondContact OE1-NZ 2.94Å; E354-K357 IonicContact OE2-NZ 2.85Å; E354-K357 PolarHBondContact OE2-NZ 3.16Å; F355-K357 PolarHBondContact O-N 2.91Å; K357-S359 PolarHBondContact O-N 2.96Å; K357-L540 HydrophobicContact CB-CD2 3.7Å; K357-L540 HydrophobicContact CD-CD2 4.3Å; K357-L540 HydrophobicContact CG-CD2 3.96Å
358H91.4Very high91.2Very high2 Ų220.3 Ų20.31%0.00910%0.095CC..PPolyproline II helixtrans-73.1116.7-176.4-177.169.4000112H351 E354 F355 H494 P495 R513H351-H358 HydrophobicContact CB-CB 4.15Å; E354-H358 PolarHBondContact O-N 3.3Å; F355-H358 PolarHBondContact O-N 3.24Å; H358-H494 AromaticContact CD2-ND1 3.9Å; H358-H494 AromaticContact CE1-ND1 3.53Å; H358-H494 AromaticContact NE2-CE1 3.71Å; H358-H494 AromaticContact NE2-CG 3.95Å; H358-H494 AromaticContact NE2-ND1 2.91Å; H358-H494 PolarHBondContact NE2-ND1 2.8Å; H358-P495 HydrophobicContact CB-CG 4Å; H358-R513 PolarHBondContact O-NE 3.4Å; H358-R513 VanDerWaalsContact O-NE 3.17Å; H358-R513 PolarHBondContact O-NH1 3.23Å; H358-R513 PolarHBondContact O-NH2 3.47Å
359S93.9Very high90.5Very high0 Ų023.9 Ų23.90%012%0.116CC..PPolyproline II helixtrans-100.7142.9171.9-52.90000110.9S348 K357 R513S348-S359 WeakPolarHBondContact OG-CB 3.34Å; S348-S359 PolarHBondContact OG-O 3.18Å; K357-S359 PolarHBondContact O-N 2.96Å; S359-R513 WeakPolarHBondContact OG-CD 3.41Å
360R94.6Very high89.3Confident88 Ų8826.5 Ų26.533%0.33214%0.139SC..PPolyproline II helixtrans-94.6165.6174.4-69-168.8-171.5-1661.4111.3G362 D363 D478 P495 I567R360-G362 PolarHBondContact O-N 2.53Å; R360-D363 PolarHBondContact N-OD2 3.21Å; R360-D363 VanDerWaalsContact O-CB 3.26Å; R360-D363 WeakPolarHBondContact O-CB 3.34Å; R360-D363 PolarHBondContact O-N 2.79Å; R360-D478 WeakPolarHBondContact CB-OD2 3.49Å; R360-P495 PolarHBondContact NH2-O 3.15Å; R360-I567 WeakPolarHBondContact O-CB 3.42Å
361L95.1Very high88.2Confident10 Ų1028.5 Ų28.55%0.05214%0.142CC..THydrogen-bonded Turntrans-61.1133.1173-58.2-169.7000110D363 D478 I567 Y570 W579L361-D363 VanDerWaalsContact C-N 3.35Å; L361-D478 HydrophobicContact CB-CB 4.46Å; L361-D478 VanDerWaalsContact CG-OD1 3.29Å; L361-D478 WeakPolarHBondContact CG-OD1 3.39Å; L361-D478 PolarHBondContact N-OD1 3.3Å; L361-I567 HydrophobicContact CD2-CG2 3.72Å; L361-Y570 HydrophobicContact CD1-CE2 4.29Å; L361-Y570 HydrophobicContact CD2-CD2 4.21Å; L361-Y570 HydrophobicContact CD2-CE1 4.25Å; L361-Y570 HydrophobicContact CD2-CE2 3.7Å; L361-Y570 HydrophobicContact CG-CE2 3.83Å; L361-Y570 PolarHBondContact N-OH 3.02Å; L361-W579 HydrophobicContact CB-CD2 3.45Å; L361-W579 VanDerWaalsContact CB-CD2 3.45Å; L361-W579 HydrophobicContact CB-CE3 3.48Å; L361-W579 VanDerWaalsContact CB-CE3 3.48Å; L361-W579 HydrophobicContact CB-CG 4.03Å; L361-W579 HydrophobicContact CB-CH2 3.97Å; L361-W579 HydrophobicContact CB-CZ2 3.97Å; L361-W579 HydrophobicContact CB-CZ3 3.74Å; L361-W579 HydrophobicContact CD1-CB 4.47Å; L361-W579 HydrophobicContact CD1-CD2 3.88Å; L361-W579 HydrophobicContact CD1-CG 3.71Å; L361-W579 HydrophobicContact CD1-CZ2 4.48Å; L361-W579 HydrophobicContact CG-CD2 4.3Å; L361-W579 HydrophobicContact CG-CG 4.46Å; L361-W579 WeakPolarHBondContact O-CZ3 3.05Å
362G96.1Very high86.3Confident2 Ų233 Ų332%0.02118%0.176CC..THydrogen-bonded Turntrans85.9-8.3-173.500000115.8R360 P510 I567R360-G362 PolarHBondContact O-N 2.53Å; G362-P510 WeakPolarHBondContact O-CB 3.43Å; G362-I567 PolarHBondContact N-O 2.78Å
363D97.6Very high84.3Confident16 Ų1637.3 Ų37.39%0.08621%0.207CC..  trans-68.6170.5168.5-76.7-10.7000110.9R360 L361 A511 R513 G566 I567R360-D363 PolarHBondContact N-OD2 3.21Å; R360-D363 VanDerWaalsContact O-CB 3.26Å; R360-D363 WeakPolarHBondContact O-CB 3.34Å; R360-D363 PolarHBondContact O-N 2.79Å; L361-D363 VanDerWaalsContact C-N 3.35Å; D363-A511 WeakPolarHBondContact CB-O 3.49Å; D363-A511 WeakPolarHBondContact OD1-CB 3.43Å; D363-A511 PolarHBondContact OD1-N 3.16Å; D363-R513 IonicContact OD2-CZ 2.65Å; D363-R513 IonicContact OD2-NH1 3.68Å; D363-R513 PolarHBondContact OD2-NH1 2.95Å; D363-G566 CarbonylContact O-C 3.54Å; D363-G566 WeakPolarHBondContact O-CA 3.36Å; D363-I567 HydrophobicContact CB-CG1 4.47Å; D363-I567 PolarHBondContact O-N 2.87Å
364I98.3Very high82.3Confident0 Ų036.1 Ų36.10%021%0.205CC..EExtended strand (participates in β ladder)trans-122.7128.8-176.4-54173.6000109.5V366 P510 A511 V512 R513 I564 R565 A586 F590I364-V366 HydrophobicContact CG2-CG2 4.08Å; I364-P510 HydrophobicContact CD1-CB 4.01Å; I364-P510 HydrophobicContact CG1-CB 4.04Å; I364-A511 PolarHBondContact N-O 2.74Å; I364-V512 HydrophobicContact CB-CG2 4.24Å; I364-V512 HydrophobicContact CD1-CG2 4.37Å; I364-V512 CarbonylContact O-C 3.49Å; I364-V512 WeakPolarHBondContact O-CA 3.45Å; I364-R513 PolarHBondContact O-N 2.77Å; I364-I564 HydrophobicContact CG2-CG2 3.66Å; I364-R565 CarbonylContact C-O 3.56Å; I364-R565 WeakPolarHBondContact CA-O 3.38Å; I364-A586 HydrophobicContact CD1-CB 4.04Å; I364-A586 WeakPolarHBondContact CD1-O 3.33Å; I364-A586 HydrophobicContact CG1-CB 4.08Å; I364-F590 HydrophobicContact CD1-CB 3.59Å; I364-F590 HydrophobicContact CD1-CG 4.25Å; I364-F590 HydrophobicContact CG2-CB 4.41Å; I364-F590 HydrophobicContact CG2-CD1 4.34Å; I364-F590 HydrophobicContact CG2-CG 4.49Å
365V97.3Very high80.4Confident0 Ų040.6 Ų40.60%023%0.229CC..EExtended strand (participates in β ladder)trans-110.8132.9169.8179.80000109.4R513 M517 L540 C541 R565 I567V365-R513 CarbonylContact C-O 3.56Å; V365-R513 WeakPolarHBondContact CA-O 3.42Å; V365-M517 HydrophobicContact CB-CE 4.34Å; V365-M517 HydrophobicContact CG1-CE 3.92Å; V365-M517 WeakPolarHBondContact O-CE 2.98Å; V365-L540 HydrophobicContact CG1-CB 3.96Å; V365-L540 HydrophobicContact CG1-CD1 4.48Å; V365-C541 HydrophobicContact CB-CB 3.94Å; V365-C541 HydrophobicContact CG1-CB 3.75Å; V365-C541 HydrophobicContact CG2-CB 4.14Å; V365-R565 PolarHBondContact N-O 2.98Å; V365-R565 PolarHBondContact O-N 3.13Å; V365-I567 HydrophobicContact CB-CD1 4.38Å; V365-I567 HydrophobicContact CG2-CD1 3.79Å; V365-I567 HydrophobicContact CG2-CG1 4.19Å
366V97.5Very high78.4Confident0 Ų042.3 Ų42.30%024%0.237CC..EExtended strand (participates in β ladder)trans-120.8133.6-177.3-177.20000109I364 A368 V434 V512 R513 L514 G515 I562 L563 I564 F590I364-V366 HydrophobicContact CG2-CG2 4.08Å; V366-A368 PolarHBondContact O-N 3.24Å; V366-A368 VanDerWaalsContact O-N 3.08Å; V366-V434 HydrophobicContact CG1-CG2 4.2Å; V366-V512 HydrophobicContact CG2-CG1 3.88Å; V366-R513 PolarHBondContact N-O 3.35Å; V366-L514 HydrophobicContact CB-CD2 3.63Å; V366-L514 HydrophobicContact CG1-CD2 4.11Å; V366-L514 HydrophobicContact CG2-CD2 4.19Å; V366-L514 WeakPolarHBondContact O-CA 3.48Å; V366-G515 PolarHBondContact O-N 2.82Å; V366-I562 HydrophobicContact CG1-CD1 3.48Å; V366-I562 VanDerWaalsContact CG1-CD1 3.48Å; V366-I562 HydrophobicContact CG1-CG1 3.87Å; V366-L563 WeakPolarHBondContact CA-O 3.41Å; V366-I564 HydrophobicContact CG1-CG1 4.36Å; V366-I564 HydrophobicContact CG2-CG2 4.39Å; V366-F590 HydrophobicContact CG2-CD1 3.83Å; V366-F590 HydrophobicContact CG2-CE1 3.53Å
367S94.4Very high76Confident1 Ų140.2 Ų40.21%0.00723%0.232CC..EExtended strand (participates in β ladder)trans-73.4102.7-177.770.30000110.5G515 L563S367-G515 WeakPolarHBondContact CA-O 3.17Å; S367-L563 PolarHBondContact N-O 2.81Å; S367-L563 VanDerWaalsContact OG-CD1 3.26Å; S367-L563 WeakPolarHBondContact OG-CD1 3.47Å; S367-L563 PolarHBondContact OG-N 2.96Å; S367-L563 PolarHBondContact OG-O 3.19Å
368A89.5Confident73.2Confident2 Ų241.7 Ų41.72%0.01725%0.25CC..SBendtrans-153.2159175.400000109.4V366 A370 V431 L514 G515V366-A368 PolarHBondContact O-N 3.24Å; V366-A368 VanDerWaalsContact O-N 3.08Å; A368-A370 PolarHBondContact O-N 3.42Å; A368-V431 HydrophobicContact CB-CG2 4.43Å; A368-L514 HydrophobicContact CB-CB 4.2Å; A368-L514 HydrophobicContact CB-CD1 4.41Å; A368-G515 PolarHBondContact N-O 2.89Å; A368-G515 CarbonylContact O-C 3.55Å; A368-G515 VanDerWaalsContact O-CA 3.24Å; A368-G515 WeakPolarHBondContact O-CA 3.07Å; A368-G515 PolarHBondContact O-N 3.39Å
369V77.7Confident70.6Confident76 Ų7645.4 Ų45.446%0.46128%0.281SS..  trans-64.8132.9168.6-175.60000107.6R371 D394 I396V369-R371 PolarHBondContact O-N 2.85Å; V369-D394 HydrophobicContact CG2-CB 4.08Å; V369-I396 HydrophobicContact CG2-CG2 4.48Å
370A66.2Low67.4Low65 Ų6552.9 Ų52.954%0.53732%0.318SS..  trans-55.2135.2-177.800000111.1A368 S372A368-A370 PolarHBondContact O-N 3.42Å; A370-S372 PolarHBondContact O-N 3.43Å; A370-S372 VanDerWaalsContact O-N 3.09Å
371R62.9Low64.2Low74 Ų7451.4 Ų51.428%0.27932%0.317SS..  trans-57.1115179.7-82.2168.47184.8-27.4109.9V369 S373 E435 D439 E442 L514V369-R371 PolarHBondContact O-N 2.85Å; R371-S373 PolarHBondContact O-N 3.24Å; R371-E435 WeakPolarHBondContact CD-OE1 3.02Å; R371-E435 WeakPolarHBondContact CD-OE2 3.43Å; R371-E435 VanDerWaalsContact CG-OE1 3.23Å; R371-E435 WeakPolarHBondContact CG-OE1 3.45Å; R371-E435 IonicContact CZ-OE1 2.79Å; R371-E435 IonicContact CZ-OE2 2.74Å; R371-E435 VanDerWaalsContact CZ-OE2 3.24Å; R371-E435 IonicContact NE-OE2 2.92Å; R371-E435 IonicContact NH1-OE1 2.93Å; R371-E435 PolarHBondContact NH1-OE1 3.44Å; R371-E435 IonicContact NH1-OE2 3.9Å; R371-E435 PolarHBondContact NH1-OE2 3.08Å; R371-D439 IonicContact NH2-OD1 2.68Å; R371-D439 PolarHBondContact NH2-OD1 3.16Å; R371-D439 VanDerWaalsContact NH2-OD1 3.11Å; R371-E442 IonicContact NH2-OE1 3.3Å; R371-L514 HydrophobicContact CG-CD1 4.17Å
372S47.9Very low61.1Low118 Ų11858.2 Ų58.283%0.82535%0.353SS*.THydrogen-bonded Turntrans-68-20.3175.2-45.10000112.9A370A370-S372 PolarHBondContact O-N 3.43Å; A370-S372 VanDerWaalsContact O-N 3.09Å
373S40.1Very low57.9Low102 Ų10266.8 Ų66.871%0.71339%0.392SS*.THydrogen-bonded Turntrans-12217.9-17055.70000114.7R371 L375R371-S373 PolarHBondContact O-N 3.24Å; S373-L375 PolarHBondContact O-N 3.17Å
374G40.6Very low54.6Low8 Ų869.3 Ų69.38%0.08241%0.409CS..  trans-60.8136.8174.300000110.8H376 S377G374-H376 PolarHBondContact O-N 3.36Å; G374-S377 PolarHBondContact O-N 3.38Å
375L44.1Very low51.1Low120 Ų12076.4 Ų76.463%0.62845%0.447SS*.Hα-helixtrans-51.9-25173.4-160.670.4000112S373 S377 S378S373-L375 PolarHBondContact O-N 3.17Å; L375-S377 VanDerWaalsContact C-N 3.26Å; L375-S377 PolarHBondContact O-N 3.45Å; L375-S378 PolarHBondContact O-N 3.08Å; L375-S378 VanDerWaalsContact O-N 3.08Å
376H45.3Very low47.8Very low58 Ų5884.4 Ų84.427%0.26948%0.484SS..Hα-helixtrans-45.3-39.7165.8-72.1-66.9000114.9E356 G374E356-H376 WeakPolarHBondContact OE1-CA 3.32Å; E356-H376 WeakPolarHBondContact OE1-CB 3.46Å; E356-H376 IonicContact OE1-CG 3.24Å; E356-H376 IonicContact OE1-ND1 3.79Å; E356-H376 PolarHBondContact OE1-ND1 3.29Å; G374-H376 PolarHBondContact O-N 3.36Å
377S35.4Very low44.5Very low45 Ų4590 Ų9032%0.31552%0.523SS..Hα-helixtrans-79.8-31.1179.5-1430000111.8G374 L375 A379 M380 N381G374-S377 PolarHBondContact O-N 3.38Å; L375-S377 VanDerWaalsContact C-N 3.26Å; L375-S377 PolarHBondContact O-N 3.45Å; S377-A379 VanDerWaalsContact C-N 3.33Å; S377-A379 PolarHBondContact O-N 3.45Å; S377-M380 PolarHBondContact O-N 2.84Å; S377-N381 VanDerWaalsContact CB-ND2 3.33Å; S377-N381 WeakPolarHBondContact CB-ND2 3.38Å; S377-N381 WeakPolarHBondContact O-CB 3.49Å; S377-N381 PolarHBondContact O-N 3.06Å; S377-N381 PolarHBondContact O-ND2 2.71Å; S377-N381 PolarHBondContact O-OD1 2.83Å; S377-N381 VanDerWaalsContact OG-CG 3.25Å; S377-N381 PolarHBondContact OG-ND2 3.42Å; S377-N381 PolarHBondContact OG-OD1 3.34Å
378S30.9Very low41.4Very low88 Ų8894.4 Ų94.462%0.61555%0.549SS*.Hα-helixtrans-70.6-24.3-171.1-169.10000114.2L375 M380L375-S378 PolarHBondContact O-N 3.08Å; L375-S378 VanDerWaalsContact O-N 3.08Å; S378-M380 VanDerWaalsContact C-N 3.33Å
379A36.4Very low38.5Very low81 Ų8199.6 Ų99.667%0.66959%0.586SS**THydrogen-bonded Turntrans-74.5-22.3-178.200000113.3S377S377-A379 VanDerWaalsContact C-N 3.33Å; S377-A379 PolarHBondContact O-N 3.45Å
380M28.3Very low36.3Very low157 Ų157101.9 Ų101.977%0.77360%0.595SS**THydrogen-bonded Turntrans-120.4-7.4176.1-87.6-168159.700115.1S377 S378 N382S377-M380 PolarHBondContact O-N 2.84Å; S378-M380 VanDerWaalsContact C-N 3.33Å; M380-N382 PolarHBondContact O-N 2.65Å
381N27.6Very low34.9Very low56 Ų56101.2 Ų101.230%0.29959%0.594SS.*G310 helixtrans-71.112.8-175.3-88.72.2000117.3S377 H383 T384S377-N381 VanDerWaalsContact CB-ND2 3.33Å; S377-N381 WeakPolarHBondContact CB-ND2 3.38Å; S377-N381 WeakPolarHBondContact O-CB 3.49Å; S377-N381 PolarHBondContact O-N 3.06Å; S377-N381 PolarHBondContact O-ND2 2.71Å; S377-N381 PolarHBondContact O-OD1 2.83Å; S377-N381 VanDerWaalsContact OG-CG 3.25Å; S377-N381 PolarHBondContact OG-ND2 3.42Å; S377-N381 PolarHBondContact OG-OD1 3.34Å; N381-H383 PolarHBondContact O-N 3.41Å; N381-T384 PolarHBondContact OD1-OG1 2.94Å
382N29Very low34.1Very low154 Ų154100 Ų10082%0.82460%0.596SS**G310 helixtrans-64.5-1.2171.2-91.9-8.5000113.9M380M380-N382 PolarHBondContact O-N 2.65Å
383H28Very low34.5Very low182 Ų18296.3 Ų96.384%0.84358%0.576SS**G310 helixtrans-139.410.8174.3-80.7-48.3000119.7N381N381-H383 PolarHBondContact O-N 3.41Å
384T30.1Very low36.1Very low69 Ų6997.1 Ų97.142%0.42357%0.572SS.*  trans-140.866-17349.80000115.5N381 H386N381-T384 PolarHBondContact OD1-OG1 2.94Å; T384-H386 PolarHBondContact O-N 3.29Å; T384-H386 VanDerWaalsContact O-N 3.17Å
385N24Very low38.3Very low149 Ų14997.5 Ų97.580%0.79757%0.573SS**  trans-81.870.6154.7-86-13.2000109.7
386H27.4Very low40.7Very low168 Ų16892.2 Ų92.278%0.77855%0.546SS*.  trans-143.381.5160.1-83-59.5000107.9T384 V388T384-H386 PolarHBondContact O-N 3.29Å; T384-H386 VanDerWaalsContact O-N 3.17Å; H386-V388 HydrophobicContact CB-CG2 4.38Å; H386-V388 PolarHBondContact O-N 3.27Å
387S28.5Very low43.1Very low118 Ų11889.4 Ų89.483%0.82553%0.533SS*.  trans-57.687.4148.458.30000106.2S389S387-S389 PolarHBondContact O-N 2.9Å
388V29.9Very low45.9Very low93 Ų9387.3 Ų87.356%0.56452%0.518SS*.  trans-61.9102.4166-175.70000103.6H386 N390H386-V388 HydrophobicContact CB-CG2 4.38Å; H386-V388 PolarHBondContact O-N 3.27Å; V388-N390 HydrophobicContact CG1-CB 4.08Å; V388-N390 WeakPolarHBondContact CG1-OD1 3.33Å; V388-N390 PolarHBondContact O-N 3.23Å
389S27.5Very low49Very low111 Ų11183.4 Ų83.478%0.77649%0.49SS*.  trans-67.262.6171.758.20000108.3S387 G391S387-S389 PolarHBondContact O-N 2.9Å; S389-G391 PolarHBondContact O-N 2.85Å
390N32.2Very low51.8Low123 Ų12379.5 Ų79.566%0.65846%0.458SS*.  trans-76.553.1176.4-97.8-0.8000109.1V388 V392V388-N390 HydrophobicContact CG1-CB 4.08Å; V388-N390 WeakPolarHBondContact CG1-OD1 3.33Å; V388-N390 PolarHBondContact O-N 3.23Å; N390-V392 PolarHBondContact O-N 3.29Å
391G36.7Very low54.8Low51 Ų5175.4 Ų75.453%0.52644%0.439SS..SBendtrans53.66.8170.800000117.2S389 G393 K422S389-G391 PolarHBondContact O-N 2.85Å; G391-G393 PolarHBondContact O-N 2.97Å; G391-K422 PolarHBondContact O-NZ 3.27Å
392V46.1Very low57.9Low50 Ų5079.2 Ų79.230%0.30345%0.449SS..  trans-72.373.9159.6-170.10000103.5N390N390-V392 PolarHBondContact O-N 3.29Å
393G56.7Low60.8Low40 Ų4074.1 Ų74.141%0.41242%0.421SS..  trans-62.5-165.7173.900000109.8G391 S395G391-G393 PolarHBondContact O-N 2.97Å; G393-S395 PolarHBondContact O-N 3.27Å
394D73.3Confident63.8Low119 Ų11969 Ų6964%0.63640%0.399SS*.SBendtrans-63.221-180-54.5-35.2000114.7V369 I396 A424V369-D394 HydrophobicContact CG2-CB 4.08Å; D394-I396 PolarHBondContact O-N 2.97Å; D394-A424 WeakPolarHBondContact O-CB 3.38Å
395S87.9Confident66.5Low15 Ų1573.1 Ų73.111%0.10541%0.414CS..  trans-67.2122.1178.5-50.90000110.2G393 K422 Y423G393-S395 PolarHBondContact O-N 3.27Å; S395-K422 WeakPolarHBondContact OG-CB 3.28Å; S395-Y423 CarbonylContact C-O 3.55Å; S395-Y423 VanDerWaalsContact CA-O 3.28Å; S395-Y423 WeakPolarHBondContact CA-O 3.46Å
396I93.1Very high69.2Low9 Ų968 Ų685%0.04639%0.389CS..SBendtrans-98.1-15.2175.768.6178.6000111.4V369 D394 Y423 A425 M517 F561 L563V369-I396 HydrophobicContact CG2-CG2 4.48Å; D394-I396 PolarHBondContact O-N 2.97Å; I396-Y423 PolarHBondContact N-O 2.63Å; I396-A425 HydrophobicContact CD1-CB 3.85Å; I396-M517 PolarHBondContact O-N 2.86Å; I396-F561 HydrophobicContact CD1-CD2 4.29Å; I396-F561 HydrophobicContact CD1-CE2 3.81Å; I396-L563 HydrophobicContact CD1-CD1 4.27Å
397Y95.5Very high71.6Confident0 Ų064.5 Ų64.50%038%0.381CS..EExtended strand (participates in β ladder)trans-144.6135177.6-167.1-83000111Y423 M517 S519 D543 Y546 L550 L563Y397-Y423 AromaticContact CD1-CD2 3.74Å; Y397-Y423 HydrophobicContact CD1-CD2 3.74Å; Y397-Y423 HydrophobicContact CD1-CE2 4.13Å; Y397-Y423 HydrophobicContact CG-CD2 4.49Å; Y397-Y423 PolarHBondContact N-O 3.4Å; Y397-Y423 PolarHBondContact O-N 2.87Å; Y397-M517 CarbonylContact C-O 3.51Å; Y397-M517 WeakPolarHBondContact CA-O 3.5Å; Y397-M517 HydrophobicContact CD2-CB 3.81Å; Y397-M517 HydrophobicContact CE2-CB 4.26Å; Y397-S519 WeakPolarHBondContact CE1-OG 3.32Å; Y397-S519 WeakPolarHBondContact OH-CB 3.46Å; Y397-S519 PolarHBondContact OH-OG 3Å; Y397-D543 HydrophobicContact CE2-CB 3.99Å; Y397-Y546 PolarHBondContact OH-N 3.42Å; Y397-L550 HydrophobicContact CD1-CD1 3.58Å; Y397-L550 HydrophobicContact CD2-CD1 4.07Å; Y397-L550 HydrophobicContact CE1-CD1 4.07Å; Y397-L550 HydrophobicContact CE2-CD1 4.49Å; Y397-L550 HydrophobicContact CG-CD1 3.57Å; Y397-L563 HydrophobicContact CD2-CD2 3.51Å; Y397-L563 HydrophobicContact CE2-CD2 3.76Å
398I95.7Very high73.8Confident0 Ų068.5 Ų68.50%039%0.387CS..EExtended strand (participates in β ladder)trans-127.1125.4178.8-58.1171.7000109.5L420 K422 M517 G518 S519 F533 H537 L539I398-L420 HydrophobicContact CG2-CB 4.34Å; I398-L420 HydrophobicContact CG2-CD1 4.37Å; I398-L420 HydrophobicContact CG2-CD2 4.01Å; I398-L420 HydrophobicContact CG2-CG 4.48Å; I398-K422 HydrophobicContact CG1-CG 4.26Å; I398-K422 HydrophobicContact CG2-CG 4.48Å; I398-M517 PolarHBondContact N-O 2.98Å; I398-G518 CarbonylContact O-C 3.57Å; I398-G518 VanDerWaalsContact O-CA 3.29Å; I398-G518 WeakPolarHBondContact O-CA 3.4Å; I398-S519 PolarHBondContact O-N 2.63Å; I398-F533 HydrophobicContact CB-CZ 4.49Å; I398-F533 HydrophobicContact CG2-CE2 4.39Å; I398-F533 HydrophobicContact CG2-CZ 3.81Å; I398-H537 HydrophobicContact CD1-CB 3.79Å; I398-L539 HydrophobicContact CD1-CD2 4.42Å
399Y95.3Very high76Confident6 Ų671.1 Ų71.12%0.02440%0.398CS..EExtended strand (participates in β ladder)trans-108.2123.8174.7177.9-94.1000110.2K320 D401 L420 R421 S519 E545 D547K320-Y399 PolarHBondContact NZ-OH 3.01Å; Y399-D401 HydrophobicContact CD1-CB 4.17Å; Y399-D401 VanDerWaalsContact CE1-CA 3.46Å; Y399-D401 HydrophobicContact CE1-CB 3.92Å; Y399-D401 PolarHBondContact O-N 3.1Å; Y399-L420 WeakPolarHBondContact O-CA 3.17Å; Y399-R421 PolarHBondContact N-O 2.91Å; Y399-R421 PolarHBondContact O-N 2.99Å; Y399-S519 CarbonylContact C-O 3.6Å; Y399-S519 WeakPolarHBondContact CA-O 3.29Å; Y399-S519 WeakPolarHBondContact CD2-OG 3.39Å; Y399-E545 HydrophobicContact CE2-CB 4.34Å; Y399-E545 HydrophobicContact CE2-CG 4.21Å; Y399-D547 HydrophobicContact CD1-CB 4.27Å; Y399-D547 HydrophobicContact CD2-CB 3.59Å; Y399-D547 HydrophobicContact CE2-CB 4.2Å; Y399-D547 HydrophobicContact CG-CB 3.66Å
400C94.8Very high77.9Confident0 Ų067.6 Ų67.60%038%0.375CS..EExtended strand (participates in β ladder)trans-82.6108.8170-177.90000110S519 G520 P522 V523 F533C400-S519 PolarHBondContact N-O 2.95Å; C400-G520 WeakPolarHBondContact O-CA 3.18Å; C400-P522 WeakPolarHBondContact O-CD 3.33Å; C400-V523 HydrophobicContact CB-CG1 3.92Å; C400-V523 HydrophobicContact CB-CG2 3.99Å; C400-F533 HydrophobicContact CB-CD2 4.4Å; C400-F533 HydrophobicContact CB-CE2 3.68Å; C400-F533 HydrophobicContact CB-CZ 3.76Å
401D91.8Very high79.3Confident70 Ų7067.7 Ų67.737%0.37438%0.38SS..EExtended strand (participates in β ladder)trans-78.2-47.5-178.4-171.252.9000112.7Y399 V419Y399-D401 HydrophobicContact CD1-CB 4.17Å; Y399-D401 VanDerWaalsContact CE1-CA 3.46Å; Y399-D401 HydrophobicContact CE1-CB 3.92Å; Y399-D401 PolarHBondContact O-N 3.1Å; D401-V419 HydrophobicContact CB-CG1 4.47Å; D401-V419 PolarHBondContact N-O 3.41Å
402R92.2Very high80.4Confident136 Ų13672.8 Ų72.851%0.51340%0.395SS..EExtended strand (participates in β ladder)trans-158.9163.2179.560.9-175.3-176.796.7-1.2111.3V419R402-V419 HydrophobicContact CG-CB 3.7Å; R402-V419 HydrophobicContact CG-CG1 4.21Å; R402-V419 HydrophobicContact CG-CG2 3.73Å; R402-V419 WeakPolarHBondContact O-CB 3.48Å; R402-V419 PolarHBondContact O-N 2.86Å
403L91.1Very high80.9Confident47 Ų4776.8 Ų76.825%0.24641%0.412CS..EExtended strand (participates in β ladder)trans-94.1146.9171.4-57.6171000109.7P416 F418 P522 L529L403-P416 HydrophobicContact CB-CB 4.22Å; L403-P416 HydrophobicContact CD2-CB 4.32Å; L403-P416 HydrophobicContact CD2-CG 4.36Å; L403-F418 HydrophobicContact CD2-CD1 3.39Å; L403-F418 HydrophobicContact CD2-CE1 3.54Å; L403-P522 HydrophobicContact CD1-CB 3.94Å; L403-P522 HydrophobicContact CD2-CB 4.14Å; L403-P522 HydrophobicContact CG-CB 3.62Å; L403-L529 HydrophobicContact CD1-CD1 3.57Å
404I90.5Very high81.4Confident74 Ų7483.8 Ų83.838%0.37943%0.431SS..EExtended strand (participates in β ladder)trans-111107.6162.8-61.8169.4000105.6P416 R417 V419I404-P416 WeakPolarHBondContact O-CA 3.49Å; I404-R417 HydrophobicContact CB-CB 4.32Å; I404-R417 PolarHBondContact N-O 2.86Å; I404-R417 PolarHBondContact O-N 3.14Å; I404-V419 HydrophobicContact CD1-CG2 3.53Å; I404-V419 HydrophobicContact CG1-CG2 3.72Å
405E85.9Confident81.3Confident157 Ų15782.4 Ų82.473%0.73443%0.427SS*.PPolyproline II helixtrans-66.3143.1176-67.9-177.1-175.900110.3
406P81.1Confident81.1Confident40 Ų4083 Ų8326%0.2643%0.43SS..PPolyproline II helixtrans-64.3151.4172.928.5-33.2000110.1A410 M413P406-A410 HydrophobicContact CB-CB 4.45Å; P406-M413 HydrophobicContact CB-CB 4.18Å; P406-M413 WeakPolarHBondContact CB-O 3.36Å; P406-M413 VanDerWaalsContact CG-O 3.23Å; P406-M413 WeakPolarHBondContact CG-O 3.46Å
407P78.3Confident81Confident95 Ų9591.4 Ų91.462%0.61746%0.462SS*.PPolyproline II helixtrans-55.5141.3171.7-1929.4000110.7D409 A410P407-D409 PolarHBondContact O-N 3.5Å; P407-A410 HydrophobicContact CB-CB 4.45Å; P407-A410 VanDerWaalsContact O-CB 3.24Å; P407-A410 WeakPolarHBondContact O-CB 3.25Å; P407-A410 PolarHBondContact O-N 3.37Å
408E75Confident80.8Confident203 Ų20392.1 Ų92.195%0.94947%0.465SS*.THydrogen-bonded Turntrans-54.2-29.7179.4-66.5-175.917800112.7A410E408-A410 VanDerWaalsContact C-N 3.34Å; E408-A410 PolarHBondContact O-N 2.77Å
409D75.8Confident80.8Confident148 Ų14893.9 Ų93.979%0.79148%0.475SS*.THydrogen-bonded Turntrans-83.6-3.7-178.7-50.8-39000114P407 V411P407-D409 PolarHBondContact O-N 3.5Å; D409-V411 PolarHBondContact O-N 2.77Å
410A66.6Low80.7Confident36 Ų3696 Ų9630%0.29849%0.487SS..  trans-75.4100-176.300000110.9P406 P407 E408 D412 M413P406-A410 HydrophobicContact CB-CB 4.45Å; P407-A410 HydrophobicContact CB-CB 4.45Å; P407-A410 VanDerWaalsContact O-CB 3.24Å; P407-A410 WeakPolarHBondContact O-CB 3.25Å; P407-A410 PolarHBondContact O-N 3.37Å; E408-A410 VanDerWaalsContact C-N 3.34Å; E408-A410 PolarHBondContact O-N 2.77Å; A410-D412 PolarHBondContact O-N 3.01Å; A410-M413 HydrophobicContact CB-CB 4.4Å
411V62.6Low80.7Confident126 Ų12699 Ų9976%0.76450%0.498SS*.SBendtrans-61.9-31.7178.8-175.70000112.2D409D409-V411 PolarHBondContact O-N 2.77Å
412D59.6Low80.8Confident158 Ų158100 Ų10085%0.84550%0.499SS*.SBendtrans-107.7-14.6-169.1-71.2-23.7000115.4A410A410-D412 PolarHBondContact O-N 3.01Å
413M55.8Low80.9Confident134 Ų13493.8 Ų93.866%0.6648%0.476SS*.  trans-113.298.3178.3-86.6-163.5174.300111P406 A410P406-M413 HydrophobicContact CB-CB 4.18Å; P406-M413 WeakPolarHBondContact CB-O 3.36Å; P406-M413 VanDerWaalsContact CG-O 3.23Å; P406-M413 WeakPolarHBondContact CG-O 3.46Å; A410-M413 HydrophobicContact CB-CB 4.4Å
414K67Low81Confident186 Ų18692.9 Ų92.981%0.80948%0.475SS*.  trans-92.9-17.2173.6-68-173.3177.8-177.40113.8
415T72.9Confident81Confident91 Ų9190.8 Ų90.856%0.55847%0.469SS*.SBendtrans-93.3131-174.951.70000110.7
416P83.5Confident81.1Confident26 Ų2692.2 Ų92.217%0.16947%0.467CS..PPolyproline II helixtrans-65.5149.9174.928.8-33.5000110.7L403 I404 L529L403-P416 HydrophobicContact CB-CB 4.22Å; L403-P416 HydrophobicContact CD2-CB 4.32Å; L403-P416 HydrophobicContact CD2-CG 4.36Å; I404-P416 WeakPolarHBondContact O-CA 3.49Å; P416-L529 HydrophobicContact CG-CD2 3.45Å; P416-L529 VanDerWaalsContact CG-CD2 3.45Å
417R89.9Confident81.7Confident187 Ų18792.9 Ų92.971%0.70647%0.469SS*.EExtended strand (participates in β ladder)trans-90.6135.2174.6178.2178.8173.9172.70.6110.4I404I404-R417 HydrophobicContact CB-CB 4.32Å; I404-R417 PolarHBondContact N-O 2.86Å; I404-R417 PolarHBondContact O-N 3.14Å
418F92.4Very high82.3Confident14 Ų1491.9 Ų91.96%0.06146%0.463CS..EExtended strand (participates in β ladder)trans-82.7133.5176.7-50.9-67.3000112.1L403 L420 V523 F533 E536L403-F418 HydrophobicContact CD2-CD1 3.39Å; L403-F418 HydrophobicContact CD2-CE1 3.54Å; F418-L420 HydrophobicContact CB-CD2 3.48Å; F418-L420 VanDerWaalsContact CB-CD2 3.48Å; F418-L420 HydrophobicContact CB-CG 4.2Å; F418-V523 HydrophobicContact CD1-CG1 3.68Å; F418-V523 HydrophobicContact CE1-CG1 3.46Å; F418-V523 VanDerWaalsContact CE1-CG1 3.46Å; F418-V523 HydrophobicContact CZ-CG1 4.38Å; F418-F533 HydrophobicContact CB-CD2 4.42Å; F418-F533 HydrophobicContact CB-CE2 4.37Å; F418-F533 AromaticContact CD1-CD2 3.93Å; F418-F533 HydrophobicContact CD1-CD2 3.93Å; F418-F533 AromaticContact CD2-CD2 3.91Å; F418-F533 HydrophobicContact CD2-CD2 3.91Å; F418-F533 HydrophobicContact CE1-CB 4.39Å; F418-F533 HydrophobicContact CE1-CD2 4.2Å; F418-F533 HydrophobicContact CE2-CB 4.38Å; F418-F533 HydrophobicContact CE2-CD2 4.14Å; F418-F533 AromaticContact CG-CD2 3.81Å; F418-F533 HydrophobicContact CG-CD2 3.81Å; F418-F533 HydrophobicContact CG-CE2 4.24Å; F418-F533 HydrophobicContact CZ-CB 4.09Å; F418-F533 HydrophobicContact CZ-CD2 4.29Å; F418-E536 VanDerWaalsContact CD2-OE2 3.31Å; F418-E536 WeakPolarHBondContact CD2-OE2 3.3Å; F418-E536 VanDerWaalsContact CE2-OE2 3.23Å; F418-E536 WeakPolarHBondContact CE2-OE2 3.26Å
419V94.2Very high83.2Confident37 Ų3784.1 Ų84.122%0.22443%0.429CS..EExtended strand (participates in β ladder)trans-95.5118.1166.7-1800000107.9D401 R402 I404D401-V419 HydrophobicContact CB-CG1 4.47Å; D401-V419 PolarHBondContact N-O 3.41Å; R402-V419 HydrophobicContact CG-CB 3.7Å; R402-V419 HydrophobicContact CG-CG1 4.21Å; R402-V419 HydrophobicContact CG-CG2 3.73Å; R402-V419 WeakPolarHBondContact O-CB 3.48Å; R402-V419 PolarHBondContact O-N 2.86Å; I404-V419 HydrophobicContact CD1-CG2 3.53Å; I404-V419 HydrophobicContact CG1-CG2 3.72Å
420L94.6Very high84.2Confident51 Ų5177.2 Ų77.227%0.26739%0.392SS..EExtended strand (participates in β ladder)trans-113.7143.4-164.9-51.4177.7000112.1I398 Y399 F418 K422 F533 H537I398-L420 HydrophobicContact CG2-CB 4.34Å; I398-L420 HydrophobicContact CG2-CD1 4.37Å; I398-L420 HydrophobicContact CG2-CD2 4.01Å; I398-L420 HydrophobicContact CG2-CG 4.48Å; Y399-L420 WeakPolarHBondContact O-CA 3.17Å; F418-L420 HydrophobicContact CB-CD2 3.48Å; F418-L420 VanDerWaalsContact CB-CD2 3.48Å; F418-L420 HydrophobicContact CB-CG 4.2Å; L420-K422 HydrophobicContact CB-CG 4.44Å; L420-F533 HydrophobicContact CD2-CE2 3.57Å; L420-F533 HydrophobicContact CD2-CZ 4.24Å; L420-H537 VanDerWaalsContact CD1-CE1 3.44Å; L420-H537 WeakPolarHBondContact CD1-CE1 3.5Å; L420-H537 WeakPolarHBondContact CD1-NE2 3.46Å
421R94.4Very high85.5Confident64 Ų6477.6 Ų77.624%0.24239%0.391CS..EExtended strand (participates in β ladder)trans-109.9132.2154.8-72.5-175.5-73.6160.1-1.3108.7Y399 Y423 D547 E551Y399-R421 PolarHBondContact N-O 2.91Å; Y399-R421 PolarHBondContact O-N 2.99Å; R421-Y423 HydrophobicContact CB-CE2 3.93Å; R421-Y423 PolarHBondContact NH1-OH 3.4Å; R421-D547 IonicContact CZ-OD2 3.19Å; R421-D547 IonicContact NH1-OD2 2.77Å; R421-D547 IonicContact NH2-OD2 2.74Å; R421-D547 PolarHBondContact NH2-OD2 2.83Å; R421-E551 IonicContact NH1-OE1 3.32Å
422K94.3Very high87Confident90 Ų9075.6 Ų75.639%0.39138%0.376SS..EExtended strand (participates in β ladder)trans-119.9132.3-174.5-65.7-171.6173.8179.90109.1G391 S395 I398 L420G391-K422 PolarHBondContact O-NZ 3.27Å; S395-K422 WeakPolarHBondContact OG-CB 3.28Å; I398-K422 HydrophobicContact CG1-CG 4.26Å; I398-K422 HydrophobicContact CG2-CG 4.48Å; L420-K422 HydrophobicContact CB-CG 4.44Å
423Y94.7Very high88.8Confident5 Ų568.2 Ų68.22%0.0234%0.336CS..EExtended strand (participates in β ladder)trans-122.4138.8-177.7-51.2-93.3000109.9S395 I396 Y397 R421 D547 L550 E551 M554S395-Y423 CarbonylContact C-O 3.55Å; S395-Y423 VanDerWaalsContact CA-O 3.28Å; S395-Y423 WeakPolarHBondContact CA-O 3.46Å; I396-Y423 PolarHBondContact N-O 2.63Å; Y397-Y423 AromaticContact CD1-CD2 3.74Å; Y397-Y423 HydrophobicContact CD1-CD2 3.74Å; Y397-Y423 HydrophobicContact CD1-CE2 4.13Å; Y397-Y423 HydrophobicContact CG-CD2 4.49Å; Y397-Y423 PolarHBondContact N-O 3.4Å; Y397-Y423 PolarHBondContact O-N 2.87Å; R421-Y423 HydrophobicContact CB-CE2 3.93Å; R421-Y423 PolarHBondContact NH1-OH 3.4Å; Y423-D547 HydrophobicContact CE2-CB 4.23Å; Y423-D547 WeakPolarHBondContact OH-CB 3.07Å; Y423-L550 HydrophobicContact CD1-CB 3.8Å; Y423-L550 HydrophobicContact CD1-CD1 4.36Å; Y423-L550 HydrophobicContact CD2-CD1 3.95Å; Y423-L550 HydrophobicContact CE1-CB 4.06Å; Y423-L550 HydrophobicContact CE2-CD1 4.48Å; Y423-L550 HydrophobicContact CG-CB 4.17Å; Y423-L550 HydrophobicContact CG-CD1 3.87Å; Y423-E551 HydrophobicContact CE1-CG 3.92Å; Y423-E551 WeakPolarHBondContact CE1-OE1 3.38Å; Y423-E551 PolarHBondContact OH-OE1 3.13Å; Y423-M554 HydrophobicContact CD1-SD 3.79Å
424A92.8Very high90.7Very high29 Ų2961.9 Ų61.924%0.2431%0.305CS..  trans-138.9140.2-178.600000109.3D394 F561D394-A424 WeakPolarHBondContact O-CB 3.38Å; A424-F561 WeakPolarHBondContact O-CZ 3.01Å
425A89.9Confident92Very high29 Ų2954.7 Ų54.724%0.2428%0.275CS..  trans-86.412916900000108.9I396 F561I396-A425 HydrophobicContact CD1-CB 3.85Å; A425-F561 HydrophobicContact CB-CD1 4.36Å; A425-F561 HydrophobicContact CB-CD2 4.48Å; A425-F561 HydrophobicContact CB-CE1 4.16Å; A425-F561 HydrophobicContact CB-CE2 4.3Å; A425-F561 HydrophobicContact CB-CZ 4.13Å; A425-F561 WeakPolarHBondContact CB-O 3.47Å
426R88.5Confident93.1Very high187 Ų18755.5 Ų55.571%0.70627%0.27SS*.  trans-91.9-28.1-177.8-63.6176.9179.5169.91.1112.5P428 D559R426-P428 WeakPolarHBondContact O-CD 3.43Å; R426-D559 HydrophobicContact CB-CB 4.17Å; R426-D559 PolarHBondContact N-O 3.32Å
427D92.2Very high93.7Very high54 Ų5454.4 Ų54.429%0.28926%0.263SS..  trans-83.1117.6176.9-174.4-19.8000110T429 D559D427-T429 PolarHBondContact O-N 2.83Å; D427-T429 WeakPolarHBondContact OD1-CB 3.43Å; D427-T429 PolarHBondContact OD1-N 2.98Å; D427-T429 PolarHBondContact OD1-OG1 2.86Å; D427-D559 HydrophobicContact CB-CB 4.5Å; D427-D559 PolarHBondContact N-O 2.68Å
428P91.4Very high93.9Very high75 Ų7546.2 Ų46.249%0.48723%0.233SC..THydrogen-bonded Turntrans-77.2-2.6-17834.3-37.5000113.3R426 L430 V431 N432R426-P428 WeakPolarHBondContact O-CD 3.43Å; P428-L430 PolarHBondContact O-N 2.98Å; P428-V431 PolarHBondContact O-N 2.9Å; P428-N432 WeakPolarHBondContact O-CB 3.46Å; P428-N432 PolarHBondContact O-N 3.33Å; P428-N432 PolarHBondContact O-ND2 2.85Å
429T94.8Very high94.1Very high40 Ų4049 Ų4925%0.24525%0.249CC..Hα-helixtrans-53.5-48.1-172.4-63.40000112.7D427 N432 C433 L598D427-T429 PolarHBondContact O-N 2.83Å; D427-T429 WeakPolarHBondContact OD1-CB 3.43Å; D427-T429 PolarHBondContact OD1-N 2.98Å; D427-T429 PolarHBondContact OD1-OG1 2.86Å; T429-N432 PolarHBondContact O-N 2.94Å; T429-C433 PolarHBondContact O-N 2.65Å; T429-C433 VanDerWaalsContact O-N 3.14Å; T429-C433 PolarHBondContact O-SG 2.89Å; T429-L598 HydrophobicContact CG2-CD2 3.91Å
430L96.1Very high94.1Very high3 Ų351.7 Ų51.72%0.01626%0.255CS..Hα-helixtrans-68.9-41.8-179.8-60.4-175.9000111.9H339 F341 P428 N432 C433 V434 S560 I562 L598H339-L430 HydrophobicContact CB-CD1 4.47Å; H339-L430 HydrophobicContact CB-CD2 4.17Å; F341-L430 HydrophobicContact CE2-CD1 4.39Å; F341-L430 HydrophobicContact CE2-CD2 4Å; F341-L430 HydrophobicContact CZ-CD1 4.34Å; F341-L430 HydrophobicContact CZ-CD2 3.68Å; P428-L430 PolarHBondContact O-N 2.98Å; L430-N432 VanDerWaalsContact C-N 3.35Å; L430-N432 PolarHBondContact O-N 3.17Å; L430-C433 WeakPolarHBondContact O-CB 3.47Å; L430-C433 PolarHBondContact O-N 2.79Å; L430-C433 VanDerWaalsContact O-N 3.12Å; L430-V434 WeakPolarHBondContact O-CG2 3.36Å; L430-V434 PolarHBondContact O-N 3.2Å; L430-S560 WeakPolarHBondContact CG-OG 3.45Å; L430-I562 HydrophobicContact CB-CB 4.29Å; L430-I562 HydrophobicContact CB-CD1 4.29Å; L430-I562 HydrophobicContact CB-CG2 4.41Å; L430-I562 HydrophobicContact CD1-CB 3.87Å; L430-I562 HydrophobicContact CD1-CG2 3.73Å; L430-L598 HydrophobicContact CD2-CD1 4.45Å; L430-L598 HydrophobicContact CD2-CD2 3.8Å
431V94.2Very high94.1Very high44 Ų4450.3 Ų50.327%0.26725%0.247SC..Hα-helixtrans-61.7-44.6176.5177.80000110.3A368 P428 C433 V434 E435A368-V431 HydrophobicContact CB-CG2 4.43Å; P428-V431 PolarHBondContact O-N 2.9Å; V431-C433 PolarHBondContact O-N 3.42Å; V431-V434 WeakPolarHBondContact O-CA 3.34Å; V431-V434 WeakPolarHBondContact O-CB 3.5Å; V431-V434 PolarHBondContact O-N 2.94Å; V431-E435 HydrophobicContact CG1-CG 4.39Å; V431-E435 WeakPolarHBondContact O-CG 3.21Å; V431-E435 PolarHBondContact O-N 3.24Å
432N94.8Very high93.9Very high84 Ų8450.6 Ų50.645%0.44925%0.251SS..Hα-helixtrans-59.9-33175.5-69.9-25000112.7P428 T429 L430 K436P428-N432 WeakPolarHBondContact O-CB 3.46Å; P428-N432 PolarHBondContact O-N 3.33Å; P428-N432 PolarHBondContact O-ND2 2.85Å; T429-N432 PolarHBondContact O-N 2.94Å; L430-N432 VanDerWaalsContact C-N 3.35Å; L430-N432 PolarHBondContact O-N 3.17Å; N432-K436 WeakPolarHBondContact O-CG 3.44Å; N432-K436 PolarHBondContact O-N 3.36Å
433C96.5Very high93.9Very high3 Ų350.4 Ų50.42%0.0227%0.266CS..Hα-helixtrans-71.3-41.8174.1-66.10000111.7T429 L430 V431 E435 K436 V437 I594 Q597T429-C433 PolarHBondContact O-N 2.65Å; T429-C433 VanDerWaalsContact O-N 3.14Å; T429-C433 PolarHBondContact O-SG 2.89Å; L430-C433 WeakPolarHBondContact O-CB 3.47Å; L430-C433 PolarHBondContact O-N 2.79Å; L430-C433 VanDerWaalsContact O-N 3.12Å; V431-C433 PolarHBondContact O-N 3.42Å; C433-E435 VanDerWaalsContact C-N 3.31Å; C433-E435 PolarHBondContact O-N 2.97Å; C433-K436 PolarHBondContact O-N 3.46Å; C433-V437 WeakPolarHBondContact O-CG2 3.42Å; C433-V437 PolarHBondContact O-N 2.82Å; C433-V437 VanDerWaalsContact O-N 3.12Å; C433-I594 HydrophobicContact CB-CG2 3.72Å; C433-Q597 HydrophobicContact CB-CB 3.96Å
434V96.1Very high93.9Very high1 Ų151.1 Ų51.11%0.00627%0.273CS..Hα-helixtrans-55.5-48.4171.9172.50000110.4V366 L430 V431 K436 V437 L438 L514 I562 F590 I594V366-V434 HydrophobicContact CG1-CG2 4.2Å; L430-V434 WeakPolarHBondContact O-CG2 3.36Å; L430-V434 PolarHBondContact O-N 3.2Å; V431-V434 WeakPolarHBondContact O-CA 3.34Å; V431-V434 WeakPolarHBondContact O-CB 3.5Å; V431-V434 PolarHBondContact O-N 2.94Å; V434-K436 VanDerWaalsContact C-N 3.35Å; V434-K436 PolarHBondContact O-N 3.43Å; V434-V437 WeakPolarHBondContact O-CB 3.41Å; V434-V437 PolarHBondContact O-N 2.84Å; V434-L438 HydrophobicContact CG1-CD1 3.96Å; V434-L438 HydrophobicContact CG1-CG 4.3Å; V434-L438 WeakPolarHBondContact O-CG 3.49Å; V434-L438 PolarHBondContact O-N 3.48Å; V434-L514 HydrophobicContact CG1-CD1 4.17Å; V434-L514 HydrophobicContact CG1-CD2 3.67Å; V434-I562 HydrophobicContact CG2-CD1 3.65Å; V434-F590 HydrophobicContact CG1-CE1 4.39Å; V434-F590 HydrophobicContact CG1-CZ 4.25Å; V434-F590 HydrophobicContact CG2-CE1 4.5Å; V434-I594 HydrophobicContact CG2-CD1 3.61Å; V434-I594 HydrophobicContact CG2-CG1 3.87Å; V434-I594 HydrophobicContact CG2-CG2 4.48Å
435E94.4Very high93.8Very high35 Ų3551 Ų5116%0.16427%0.27CS..Hα-helixtrans-62.3-40.9-178.6-61.5-65.6-151.700112.4R371 V431 C433 V437 L438 D439R371-E435 WeakPolarHBondContact CD-OE1 3.02Å; R371-E435 WeakPolarHBondContact CD-OE2 3.43Å; R371-E435 VanDerWaalsContact CG-OE1 3.23Å; R371-E435 WeakPolarHBondContact CG-OE1 3.45Å; R371-E435 IonicContact CZ-OE1 2.79Å; R371-E435 IonicContact CZ-OE2 2.74Å; R371-E435 VanDerWaalsContact CZ-OE2 3.24Å; R371-E435 IonicContact NE-OE2 2.92Å; R371-E435 IonicContact NH1-OE1 2.93Å; R371-E435 PolarHBondContact NH1-OE1 3.44Å; R371-E435 IonicContact NH1-OE2 3.9Å; R371-E435 PolarHBondContact NH1-OE2 3.08Å; V431-E435 HydrophobicContact CG1-CG 4.39Å; V431-E435 WeakPolarHBondContact O-CG 3.21Å; V431-E435 PolarHBondContact O-N 3.24Å; C433-E435 VanDerWaalsContact C-N 3.31Å; C433-E435 PolarHBondContact O-N 2.97Å; E435-V437 VanDerWaalsContact C-N 3.28Å; E435-V437 PolarHBondContact O-N 2.74Å; E435-L438 PolarHBondContact O-N 3.42Å; E435-D439 VanDerWaalsContact O-CB 3.32Å; E435-D439 WeakPolarHBondContact O-CB 3.23Å; E435-D439 PolarHBondContact O-N 2.94Å
436K95.4Very high93.8Very high108 Ų10856.2 Ų56.247%0.4729%0.289SS..Hα-helixtrans-62.1-33.7173.3-71.9170.2-176.41770113.5N432 C433 V434 R440N432-K436 WeakPolarHBondContact O-CG 3.44Å; N432-K436 PolarHBondContact O-N 3.36Å; C433-K436 PolarHBondContact O-N 3.46Å; V434-K436 VanDerWaalsContact C-N 3.35Å; V434-K436 PolarHBondContact O-N 3.43Å; K436-R440 WeakPolarHBondContact O-CB 3.38Å; K436-R440 VanDerWaalsContact O-CG 3.31Å; K436-R440 WeakPolarHBondContact O-CG 3.5Å; K436-R440 PolarHBondContact O-N 2.98Å; K436-R440 PolarHBondContact O-NE 3.44Å
437V96.4Very high93.9Very high2 Ų253.6 Ų53.61%0.01228%0.283CS..Hα-helixtrans-69.6-46.3175.6174.50000109.8C433 V434 E435 R440 F441 W450 F590 Q597C433-V437 WeakPolarHBondContact O-CG2 3.42Å; C433-V437 PolarHBondContact O-N 2.82Å; C433-V437 VanDerWaalsContact O-N 3.12Å; V434-V437 WeakPolarHBondContact O-CB 3.41Å; V434-V437 PolarHBondContact O-N 2.84Å; E435-V437 VanDerWaalsContact C-N 3.28Å; E435-V437 PolarHBondContact O-N 2.74Å; V437-R440 PolarHBondContact O-N 3.3Å; V437-F441 PolarHBondContact O-N 3.39Å; V437-F441 VanDerWaalsContact O-N 3.11Å; V437-W450 HydrophobicContact CG1-CE3 3.8Å; V437-W450 HydrophobicContact CG1-CZ3 3.82Å; V437-F590 HydrophobicContact CG1-CD2 4.5Å; V437-F590 HydrophobicContact CG1-CE2 3.73Å; V437-F590 HydrophobicContact CG1-CZ 4.3Å; V437-Q597 HydrophobicContact CG2-CG 3.74Å
438L94.8Very high94.1Very high15 Ų1551.2 Ų51.28%0.07927%0.27CS..Hα-helixtrans-68.7-43.5-179.2-63.7-178.1000112.7V434 E435 R440 F441 E442 W450 V512 L514 F590V434-L438 HydrophobicContact CG1-CD1 3.96Å; V434-L438 HydrophobicContact CG1-CG 4.3Å; V434-L438 WeakPolarHBondContact O-CG 3.49Å; V434-L438 PolarHBondContact O-N 3.48Å; E435-L438 PolarHBondContact O-N 3.42Å; L438-R440 VanDerWaalsContact C-N 3.25Å; L438-R440 PolarHBondContact O-N 2.99Å; L438-F441 CarbonylContact O-C 3.48Å; L438-F441 WeakPolarHBondContact O-CA 3.37Å; L438-F441 WeakPolarHBondContact O-CB 3.31Å; L438-F441 PolarHBondContact O-N 3.38Å; L438-E442 WeakPolarHBondContact O-CG 3.42Å; L438-E442 PolarHBondContact O-N 3.33Å; L438-W450 HydrophobicContact CD2-CH2 4.16Å; L438-W450 HydrophobicContact CD2-CZ3 4.38Å; L438-V512 HydrophobicContact CD2-CB 4Å; L438-V512 HydrophobicContact CD2-CG1 4.02Å; L438-L514 HydrophobicContact CD1-CD1 3.93Å; L438-L514 HydrophobicContact CD1-CD2 4.13Å; L438-L514 HydrophobicContact CD1-CG 4.08Å; L438-F590 HydrophobicContact CD2-CE2 4.17Å; L438-F590 HydrophobicContact CD2-CZ 4.13Å
439D94.6Very high94.3Very high74 Ų7450.4 Ų50.440%0.39626%0.26SS..Hα-helixtrans-60.5-36.5177.6-69.5-16.1000111.4R371 E435 E442 A443R371-D439 IonicContact NH2-OD1 2.68Å; R371-D439 PolarHBondContact NH2-OD1 3.16Å; R371-D439 VanDerWaalsContact NH2-OD1 3.11Å; E435-D439 VanDerWaalsContact O-CB 3.32Å; E435-D439 WeakPolarHBondContact O-CB 3.23Å; E435-D439 PolarHBondContact O-N 2.94Å; D439-E442 PolarHBondContact O-N 2.67Å; D439-A443 WeakPolarHBondContact O-CB 3.15Å; D439-A443 PolarHBondContact O-N 3.42Å
440R94.9Very high94.4Very high92 Ų9248.7 Ų48.735%0.34725%0.249SC..Hα-helixtrans-69.7-37.6174.7-76.2-176.1-66.4145.817.5112.3K436 V437 L438 A443 A444 E449K436-R440 WeakPolarHBondContact O-CB 3.38Å; K436-R440 VanDerWaalsContact O-CG 3.31Å; K436-R440 WeakPolarHBondContact O-CG 3.5Å; K436-R440 PolarHBondContact O-N 2.98Å; K436-R440 PolarHBondContact O-NE 3.44Å; V437-R440 PolarHBondContact O-N 3.3Å; L438-R440 VanDerWaalsContact C-N 3.25Å; L438-R440 PolarHBondContact O-N 2.99Å; R440-A443 PolarHBondContact O-N 2.95Å; R440-A444 PolarHBondContact O-N 3.02Å; R440-A444 VanDerWaalsContact O-N 3.09Å; R440-E449 IonicContact CZ-OE1 3.81Å; R440-E449 VanDerWaalsContact CZ-OE1 3.26Å; R440-E449 IonicContact CZ-OE2 3.43Å; R440-E449 VanDerWaalsContact CZ-OE2 3.32Å; R440-E449 IonicContact NH1-OE1 2.63Å; R440-E449 PolarHBondContact NH1-OE1 2.92Å; R440-E449 IonicContact NH1-OE2 2.63Å; R440-E449 PolarHBondContact NH1-OE2 2.77Å; R440-E449 IonicContact NH2-OE1 3.4Å; R440-E449 PolarHBondContact NH2-OE1 2.62Å; R440-E449 IonicContact NH2-OE2 3.52Å; R440-E449 PolarHBondContact NH2-OE2 2.86Å
441F94.4Very high94.5Very high22 Ų2249.3 Ų49.310%0.09625%0.252CS..Hα-helixtrans-64.5-45.2171.9168.5-106.8000111.7V437 L438 A443 A444 P445 C448 W450 F504V437-F441 PolarHBondContact O-N 3.39Å; V437-F441 VanDerWaalsContact O-N 3.11Å; L438-F441 CarbonylContact O-C 3.48Å; L438-F441 WeakPolarHBondContact O-CA 3.37Å; L438-F441 WeakPolarHBondContact O-CB 3.31Å; L438-F441 PolarHBondContact O-N 3.38Å; F441-A443 PolarHBondContact O-N 3.27Å; F441-A444 CarbonylContact O-C 3.47Å; F441-A444 PolarHBondContact O-N 2.87Å; F441-A444 VanDerWaalsContact O-N 3.12Å; F441-P445 HydrophobicContact CD2-CB 4.35Å; F441-P445 HydrophobicContact CE2-CB 3.83Å; F441-P445 HydrophobicContact CZ-CB 4.15Å; F441-P445 VanDerWaalsContact O-CA 3.26Å; F441-P445 WeakPolarHBondContact O-CA 3.07Å; F441-P445 VanDerWaalsContact O-CD 3.23Å; F441-P445 WeakPolarHBondContact O-CD 3.29Å; F441-P445 WeakPolarHBondContact O-CG 3.47Å; F441-C448 HydrophobicContact CD2-CB 3.86Å; F441-C448 HydrophobicContact CE2-CB 3.97Å; F441-W450 HydrophobicContact CB-CH2 3.63Å; F441-W450 HydrophobicContact CB-CZ3 3.72Å; F441-W450 AromaticContact CD1-CH2 3.75Å; F441-W450 HydrophobicContact CD1-CH2 3.75Å; F441-W450 HydrophobicContact CD1-CZ2 4.49Å; F441-W450 AromaticContact CD2-CH2 3.71Å; F441-W450 HydrophobicContact CD2-CH2 3.71Å; F441-W450 HydrophobicContact CD2-CZ2 4.28Å; F441-W450 HydrophobicContact CD2-CZ3 4.32Å; F441-W450 HydrophobicContact CE1-CH2 4.32Å; F441-W450 HydrophobicContact CE2-CH2 4.3Å; F441-W450 HydrophobicContact CE2-CZ2 4.46Å; F441-W450 AromaticContact CG-CH2 3.39Å; F441-W450 HydrophobicContact CG-CH2 3.39Å; F441-W450 HydrophobicContact CG-CZ2 4.29Å; F441-W450 AromaticContact CG-CZ3 4Å; F441-W450 HydrophobicContact CG-CZ3 4Å; F441-F504 HydrophobicContact CE1-CB 4.37Å; F441-F504 HydrophobicContact CE1-CD1 4.49Å; F441-F504 WeakPolarHBondContact CZ-O 3.45Å
442E91.5Very high94.6Very high70 Ų7052 Ų5233%0.32726%0.262SS..Hα-helixtrans-60.1-35.9177.2-72.4-179.5-167.200111.9R371 L438 D439 F504R371-E442 IonicContact NH2-OE1 3.3Å; L438-E442 WeakPolarHBondContact O-CG 3.42Å; L438-E442 PolarHBondContact O-N 3.33Å; D439-E442 PolarHBondContact O-N 2.67Å; E442-F504 HydrophobicContact CB-CE1 4.39Å; E442-F504 HydrophobicContact CG-CE1 4.49Å
443A93.9Very high94.8Very high87 Ų8749.4 Ų49.472%0.71925%0.248SC*.Hα-helixtrans-71.8-32176.100000113.8D439 R440 F441D439-A443 WeakPolarHBondContact O-CB 3.15Å; D439-A443 PolarHBondContact O-N 3.42Å; R440-A443 PolarHBondContact O-N 2.95Å; F441-A443 PolarHBondContact O-N 3.27Å
444A94Very high94.8Very high20 Ų2049.4 Ų49.417%0.16525%0.248CC..  trans-14875.6-178.200000112R440 F441 E446 K447R440-A444 PolarHBondContact O-N 3.02Å; R440-A444 VanDerWaalsContact O-N 3.09Å; F441-A444 CarbonylContact O-C 3.47Å; F441-A444 PolarHBondContact O-N 2.87Å; F441-A444 VanDerWaalsContact O-N 3.12Å; A444-E446 VanDerWaalsContact C-OE2 3.25Å; A444-E446 WeakPolarHBondContact CA-OE2 3.18Å; A444-E446 PolarHBondContact O-N 2.83Å; A444-E446 VanDerWaalsContact O-N 3.12Å; A444-K447 HydrophobicContact CB-CB 4.28Å; A444-K447 HydrophobicContact CB-CD 4.35Å; A444-K447 HydrophobicContact CB-CG 4.47Å; A444-K447 PolarHBondContact O-N 3.27Å
445P90.6Very high94.8Very high25 Ų2555 Ų5516%0.16227%0.272CS..G310 helixtrans-59.9-26.9-174.9-2634.9000113.9F441 K447 C448 R503 F504F441-P445 HydrophobicContact CD2-CB 4.35Å; F441-P445 HydrophobicContact CE2-CB 3.83Å; F441-P445 HydrophobicContact CZ-CB 4.15Å; F441-P445 VanDerWaalsContact O-CA 3.26Å; F441-P445 WeakPolarHBondContact O-CA 3.07Å; F441-P445 VanDerWaalsContact O-CD 3.23Å; F441-P445 WeakPolarHBondContact O-CD 3.29Å; F441-P445 WeakPolarHBondContact O-CG 3.47Å; P445-K447 PolarHBondContact O-N 2.99Å; P445-C448 PolarHBondContact O-N 3.12Å; P445-R503 WeakPolarHBondContact CB-O 3.41Å; P445-F504 HydrophobicContact CG-CD1 3.96Å; P445-F504 HydrophobicContact CG-CE1 4.17Å
446E90.3Very high94.8Very high139 Ų13957.5 Ų57.565%0.6529%0.29SS*.G310 helixtrans-69.6-14176.378.1-67.4167.100113.6A444A444-E446 VanDerWaalsContact C-OE2 3.25Å; A444-E446 WeakPolarHBondContact CA-OE2 3.18Å; A444-E446 PolarHBondContact O-N 2.83Å; A444-E446 VanDerWaalsContact O-N 3.12Å
447K91.5Very high94.7Very high133 Ų13352.7 Ų52.758%0.57827%0.27SS*.G310 helixtrans-111.535.3178.1-61.6-178.7-173.7171.40112.1A444 P445 E449A444-K447 HydrophobicContact CB-CB 4.28Å; A444-K447 HydrophobicContact CB-CD 4.35Å; A444-K447 HydrophobicContact CB-CG 4.47Å; A444-K447 PolarHBondContact O-N 3.27Å; P445-K447 PolarHBondContact O-N 2.99Å; K447-E449 PolarHBondContact O-N 3.06Å
448C95.1Very high94.6Very high3 Ų354.8 Ų54.82%0.0228%0.281CS..  trans-53.2110.2176.8-177.80000112F441 P445 W450 D451 Q452 V509F441-C448 HydrophobicContact CD2-CB 3.86Å; F441-C448 HydrophobicContact CE2-CB 3.97Å; P445-C448 PolarHBondContact O-N 3.12Å; C448-W450 WeakPolarHBondContact SG-CZ2 3.42Å; C448-D451 HydrophobicContact CB-CB 3.89Å; C448-D451 PolarHBondContact O-N 3.39Å; C448-D451 VanDerWaalsContact SG-CB 3.55Å; C448-Q452 WeakPolarHBondContact O-CG 3.11Å; C448-Q452 PolarHBondContact O-N 3Å; C448-V509 HydrophobicContact CB-CG1 4.45Å
449E96.1Very high94.3Very high59 Ų5959.6 Ų59.628%0.27631%0.311SS..Hα-helixtrans-67.3-45.2-171.4-64.6-171.9156.800112.6R440 K447 D451 Q452 I453R440-E449 IonicContact CZ-OE1 3.81Å; R440-E449 VanDerWaalsContact CZ-OE1 3.26Å; R440-E449 IonicContact CZ-OE2 3.43Å; R440-E449 VanDerWaalsContact CZ-OE2 3.32Å; R440-E449 IonicContact NH1-OE1 2.63Å; R440-E449 PolarHBondContact NH1-OE1 2.92Å; R440-E449 IonicContact NH1-OE2 2.63Å; R440-E449 PolarHBondContact NH1-OE2 2.77Å; R440-E449 IonicContact NH2-OE1 3.4Å; R440-E449 PolarHBondContact NH2-OE1 2.62Å; R440-E449 IonicContact NH2-OE2 3.52Å; R440-E449 PolarHBondContact NH2-OE2 2.86Å; K447-E449 PolarHBondContact O-N 3.06Å; E449-D451 VanDerWaalsContact C-N 3.29Å; E449-D451 PolarHBondContact O-N 3.24Å; E449-Q452 PolarHBondContact O-N 3.28Å; E449-I453 WeakPolarHBondContact O-CG1 3.22Å; E449-I453 PolarHBondContact O-N 3.08Å
450W97.4Very high93.8Very high4 Ų460.9 Ų60.92%0.01532%0.322CS..Hα-helixtrans-69.2-30.2-178.563.892000112.2V437 L438 F441 C448 I453 L454 P510 V512 S589 F590 S593V437-W450 HydrophobicContact CG1-CE3 3.8Å; V437-W450 HydrophobicContact CG1-CZ3 3.82Å; L438-W450 HydrophobicContact CD2-CH2 4.16Å; L438-W450 HydrophobicContact CD2-CZ3 4.38Å; F441-W450 HydrophobicContact CB-CH2 3.63Å; F441-W450 HydrophobicContact CB-CZ3 3.72Å; F441-W450 AromaticContact CD1-CH2 3.75Å; F441-W450 HydrophobicContact CD1-CH2 3.75Å; F441-W450 HydrophobicContact CD1-CZ2 4.49Å; F441-W450 AromaticContact CD2-CH2 3.71Å; F441-W450 HydrophobicContact CD2-CH2 3.71Å; F441-W450 HydrophobicContact CD2-CZ2 4.28Å; F441-W450 HydrophobicContact CD2-CZ3 4.32Å; F441-W450 HydrophobicContact CE1-CH2 4.32Å; F441-W450 HydrophobicContact CE2-CH2 4.3Å; F441-W450 HydrophobicContact CE2-CZ2 4.46Å; F441-W450 AromaticContact CG-CH2 3.39Å; F441-W450 HydrophobicContact CG-CH2 3.39Å; F441-W450 HydrophobicContact CG-CZ2 4.29Å; F441-W450 AromaticContact CG-CZ3 4Å; F441-W450 HydrophobicContact CG-CZ3 4Å; C448-W450 WeakPolarHBondContact SG-CZ2 3.42Å; W450-I453 PolarHBondContact O-N 2.85Å; W450-L454 VanDerWaalsContact O-CB 3.23Å; W450-L454 WeakPolarHBondContact O-CB 3.24Å; W450-L454 PolarHBondContact O-N 2.89Å; W450-P510 PolarHBondContact NE1-O 3.08Å; W450-V512 HydrophobicContact CD2-CG2 4.36Å; W450-V512 HydrophobicContact CH2-CG2 4.24Å; W450-V512 HydrophobicContact CZ2-CG2 3.65Å; W450-S589 WeakPolarHBondContact O-CB 3.31Å; W450-F590 HydrophobicContact CB-CB 4.19Å; W450-F590 HydrophobicContact CB-CD2 3.92Å; W450-F590 AromaticContact CD2-CD2 3.68Å; W450-F590 HydrophobicContact CD2-CD2 3.68Å; W450-F590 HydrophobicContact CD2-CE2 4.06Å; W450-F590 AromaticContact CE3-CD2 3.78Å; W450-F590 HydrophobicContact CE3-CD2 3.78Å; W450-F590 AromaticContact CE3-CE2 3.75Å; W450-F590 HydrophobicContact CE3-CE2 3.75Å; W450-F590 AromaticContact CG-CD2 3.77Å; W450-F590 HydrophobicContact CG-CD2 3.77Å; W450-F590 HydrophobicContact CZ3-CD2 4.49Å; W450-F590 HydrophobicContact CZ3-CE2 4.05Å; W450-S593 WeakPolarHBondContact CA-OG 3.42Å; W450-S593 WeakPolarHBondContact CB-OG 3.36Å
451D97.4Very high93.2Very high15 Ų1557.6 Ų57.68%0.0831%0.311CS..Hα-helixtrans-68-39.8173.6178.161000111.9C448 E449 L454 K455 V509C448-D451 HydrophobicContact CB-CB 3.89Å; C448-D451 PolarHBondContact O-N 3.39Å; C448-D451 VanDerWaalsContact SG-CB 3.55Å; E449-D451 VanDerWaalsContact C-N 3.29Å; E449-D451 PolarHBondContact O-N 3.24Å; D451-L454 PolarHBondContact O-N 2.96Å; D451-K455 WeakPolarHBondContact O-CB 3.38Å; D451-K455 WeakPolarHBondContact O-CG 3.05Å; D451-K455 PolarHBondContact O-N 3.18Å; D451-K455 WeakPolarHBondContact OD1-CE 3.25Å; D451-K455 IonicContact OD1-NZ 3.38Å; D451-K455 VanDerWaalsContact OD2-CE 3.25Å; D451-K455 WeakPolarHBondContact OD2-CE 3.42Å; D451-K455 IonicContact OD2-NZ 3.32Å; D451-K455 PolarHBondContact OD2-NZ 2.81Å; D451-V509 HydrophobicContact CB-CG1 4.05Å; D451-V509 HydrophobicContact CB-CG2 4.38Å
452Q97.2Very high91.9Very high100 Ų10059.1 Ų59.147%0.46733%0.333SS..Hα-helixtrans-64.6-41.8174.2-68.917215.100111.8C448 E449 T456C448-Q452 WeakPolarHBondContact O-CG 3.11Å; C448-Q452 PolarHBondContact O-N 3Å; E449-Q452 PolarHBondContact O-N 3.28Å; Q452-T456 WeakPolarHBondContact O-CB 3.49Å; Q452-T456 PolarHBondContact O-N 2.87Å; Q452-T456 PolarHBondContact O-OG1 3.16Å
453I98Very high90.7Very high31 Ų3157.8 Ų57.816%0.15934%0.337CS..Hα-helixtrans-62.5-46.1174.2-68.7165.7000110.3M276 E449 W450 T456 A457 K592 S593M276-I453 HydrophobicContact CE-CG2 4.37Å; M276-I453 HydrophobicContact SD-CG2 3.51Å; M276-I453 VanDerWaalsContact SD-CG2 3.51Å; E449-I453 WeakPolarHBondContact O-CG1 3.22Å; E449-I453 PolarHBondContact O-N 3.08Å; W450-I453 PolarHBondContact O-N 2.85Å; I453-T456 PolarHBondContact O-N 2.94Å; I453-A457 WeakPolarHBondContact O-CB 3.24Å; I453-A457 PolarHBondContact O-N 3.49Å; I453-K592 HydrophobicContact CD1-CB 4.24Å; I453-K592 HydrophobicContact CD1-CD 4.33Å; I453-K592 HydrophobicContact CD1-CG 4.03Å; I453-K592 HydrophobicContact CG2-CB 4.33Å; I453-K592 HydrophobicContact CG2-CD 3.92Å; I453-K592 HydrophobicContact CG2-CG 4.46Å; I453-S593 WeakPolarHBondContact CD1-OG 3.3Å
454L97.5Very high89Confident2 Ų263.3 Ų63.31%0.0135%0.349CS..Hα-helixtrans-59.3-49.9179176.159000111.5W450 D451 T456 A457 L458 P510 Y582 L585 A586 S589W450-L454 VanDerWaalsContact O-CB 3.23Å; W450-L454 WeakPolarHBondContact O-CB 3.24Å; W450-L454 PolarHBondContact O-N 2.89Å; D451-L454 PolarHBondContact O-N 2.96Å; L454-T456 VanDerWaalsContact C-N 3.3Å; L454-T456 PolarHBondContact O-N 3.42Å; L454-A457 PolarHBondContact O-N 2.86Å; L454-A457 VanDerWaalsContact O-N 3.16Å; L454-L458 HydrophobicContact CD1-CD1 4.3Å; L454-L458 HydrophobicContact CD1-CG 4.28Å; L454-L458 HydrophobicContact CG-CD1 4.18Å; L454-L458 WeakPolarHBondContact O-CG 3.36Å; L454-L458 PolarHBondContact O-N 2.79Å; L454-P510 HydrophobicContact CD2-CG 3.68Å; L454-Y582 HydrophobicContact CD2-CE2 4.08Å; L454-L585 HydrophobicContact CD1-CB 3.97Å; L454-L585 HydrophobicContact CD1-CD2 3.72Å; L454-L585 HydrophobicContact CD1-CG 3.59Å; L454-A586 HydrophobicContact CD2-CB 4.27Å; L454-S589 VanDerWaalsContact CA-OG 3.29Å; L454-S589 WeakPolarHBondContact CA-OG 3.36Å; L454-S589 PolarHBondContact N-OG 2.85Å
455K95.8Very high87.5Confident118 Ų11869.7 Ų69.751%0.51338%0.38SS..Hα-helixtrans-58.1-42.9176.6-76.4168.6178.5165.20112D451 L458 T459D451-K455 WeakPolarHBondContact O-CB 3.38Å; D451-K455 WeakPolarHBondContact O-CG 3.05Å; D451-K455 PolarHBondContact O-N 3.18Å; D451-K455 WeakPolarHBondContact OD1-CE 3.25Å; D451-K455 IonicContact OD1-NZ 3.38Å; D451-K455 VanDerWaalsContact OD2-CE 3.25Å; D451-K455 WeakPolarHBondContact OD2-CE 3.42Å; D451-K455 IonicContact OD2-NZ 3.32Å; D451-K455 PolarHBondContact OD2-NZ 2.81Å; K455-L458 PolarHBondContact O-N 2.86Å; K455-T459 PolarHBondContact O-N 3.12Å
456T94.8Very high86.5Confident88 Ų8870.8 Ų70.854%0.5438%0.384SS..Hα-helixtrans-63.2-45.5176.5-55.30000110.7Q452 I453 L454 L458 T459 V460Q452-T456 WeakPolarHBondContact O-CB 3.49Å; Q452-T456 PolarHBondContact O-N 2.87Å; Q452-T456 PolarHBondContact O-OG1 3.16Å; I453-T456 PolarHBondContact O-N 2.94Å; L454-T456 VanDerWaalsContact C-N 3.3Å; L454-T456 PolarHBondContact O-N 3.42Å; T456-L458 PolarHBondContact O-N 2.85Å; T456-T459 PolarHBondContact O-N 2.99Å; T456-T459 VanDerWaalsContact O-N 3.17Å; T456-T459 PolarHBondContact O-OG1 2.8Å; T456-V460 PolarHBondContact O-N 2.93Å
457A93.3Very high85.6Confident8 Ų866.8 Ų66.87%0.06637%0.371CS..Hα-helixtrans-65.7-36.4179.700000112.9M276 I453 L454 T459 V460 L461 L585M276-A457 HydrophobicContact CE-CB 3.43Å; M276-A457 VanDerWaalsContact CE-CB 3.43Å; I453-A457 WeakPolarHBondContact O-CB 3.24Å; I453-A457 PolarHBondContact O-N 3.49Å; L454-A457 PolarHBondContact O-N 2.86Å; L454-A457 VanDerWaalsContact O-N 3.16Å; A457-T459 VanDerWaalsContact C-N 3.25Å; A457-T459 PolarHBondContact O-N 2.88Å; A457-V460 PolarHBondContact O-N 3.22Å; A457-L461 PolarHBondContact O-N 3.46Å; A457-L585 HydrophobicContact CB-CD1 3.97Å; A457-L585 HydrophobicContact CB-CD2 4.16Å; A457-L585 HydrophobicContact CB-CG 4.31Å
458L93.1Very high85.3Confident45 Ų4561.1 Ų61.124%0.23635%0.346CS..Hα-helixtrans-60.6-33.6173.6-74.4169.5000112.4L454 K455 T456 V460 G462 F470 Y582 L585L454-L458 HydrophobicContact CD1-CD1 4.3Å; L454-L458 HydrophobicContact CD1-CG 4.28Å; L454-L458 HydrophobicContact CG-CD1 4.18Å; L454-L458 WeakPolarHBondContact O-CG 3.36Å; L454-L458 PolarHBondContact O-N 2.79Å; K455-L458 PolarHBondContact O-N 2.86Å; T456-L458 PolarHBondContact O-N 2.85Å; L458-V460 VanDerWaalsContact C-N 3.27Å; L458-V460 PolarHBondContact O-N 2.88Å; L458-G462 WeakPolarHBondContact O-CA 3.49Å; L458-G462 PolarHBondContact O-N 2.72Å; L458-F470 HydrophobicContact CD2-CB 4.04Å; L458-F470 WeakPolarHBondContact CD2-O 3.32Å; L458-Y582 HydrophobicContact CD1-CE2 4.48Å; L458-L585 HydrophobicContact CD2-CD2 3.64Å; L458-L585 HydrophobicContact CG-CD2 3.87Å
459T88.8Confident85.1Confident116 Ų11666.5 Ų66.571%0.71238%0.375SS*.Hα-helixtrans-71.4-23.2174.464.60000113.4K455 T456 A457K455-T459 PolarHBondContact O-N 3.12Å; T456-T459 PolarHBondContact O-N 2.99Å; T456-T459 VanDerWaalsContact O-N 3.17Å; T456-T459 PolarHBondContact O-OG1 2.8Å; A457-T459 VanDerWaalsContact C-N 3.25Å; A457-T459 PolarHBondContact O-N 2.88Å
460V83.8Confident85Confident101 Ų10163.9 Ų63.961%0.61236%0.363SS*.Hα-helixtrans-88.8-36.8-179.4176.20000111.9T456 A457 L458T456-V460 PolarHBondContact O-N 2.93Å; A457-V460 PolarHBondContact O-N 3.22Å; L458-V460 VanDerWaalsContact C-N 3.27Å; L458-V460 PolarHBondContact O-N 2.88Å
461L83.6Confident84.8Confident24 Ų2466.1 Ų66.113%0.12638%0.382CS..Hα-helixtrans-99.12.4-177.8-66.7174.8000114.1A275 A457 D466 F470 L585A275-L461 HydrophobicContact CB-CD1 3.65Å; A275-L461 HydrophobicContact CB-CD2 4.13Å; A275-L461 HydrophobicContact CB-CG 4.03Å; A457-L461 PolarHBondContact O-N 3.46Å; L461-D466 WeakPolarHBondContact CA-OD2 3.34Å; L461-D466 WeakPolarHBondContact O-CB 3.49Å; L461-F470 HydrophobicContact CB-CB 4.49Å; L461-F470 HydrophobicContact CB-CD2 3.87Å; L461-F470 HydrophobicContact CB-CE2 4.49Å; L461-F470 HydrophobicContact CB-CG 4.34Å; L461-F470 HydrophobicContact CD1-CD1 4.38Å; L461-F470 HydrophobicContact CD1-CD2 3.92Å; L461-F470 HydrophobicContact CD1-CE1 4.48Å; L461-F470 HydrophobicContact CD1-CE2 4Å; L461-F470 HydrophobicContact CD1-CG 4.11Å; L461-F470 HydrophobicContact CD1-CZ 4.28Å; L461-F470 HydrophobicContact CG-CD2 4.42Å; L461-L585 HydrophobicContact CD1-CD1 3.65Å; L461-L585 HydrophobicContact CD1-CD2 4.23Å
462G66.4Low84.6Confident54 Ų5470.3 Ų70.356%0.55740%0.396SS*.  trans-100.622.5-173.500000114.3L458L458-G462 WeakPolarHBondContact O-CA 3.49Å; L458-G462 PolarHBondContact O-N 2.72Å
463G66Low84.4Confident41 Ų4166 Ų6642%0.42338%0.377SS..  trans-69.7149.3176.100000111.4D465 D466G463-D465 PolarHBondContact O-N 3.45Å; G463-D466 PolarHBondContact N-OD2 3.25Å; G463-D466 WeakPolarHBondContact O-CB 3.49Å; G463-D466 PolarHBondContact O-N 3.03Å
464E59.3Low84.1Confident204 Ų20467.6 Ų67.695%0.95339%0.39SS*.THydrogen-bonded Turntrans-58.4-22.4176-71.2-174.6163.800113
465D61.1Low83.7Confident153 Ų15372.3 Ų72.382%0.81842%0.42SS*.THydrogen-bonded Turntrans-89.4-4.4178.3-62.9-42.4000113.6G463G463-D465 PolarHBondContact O-N 3.45Å
466D70.1Confident83.1Confident48 Ų4871.2 Ų71.226%0.25742%0.42SS..  trans-73.5125178.8-80.6-50.3000110.3L461 G463 I468L461-D466 WeakPolarHBondContact CA-OD2 3.34Å; L461-D466 WeakPolarHBondContact O-CB 3.49Å; G463-D466 PolarHBondContact N-OD2 3.25Å; G463-D466 WeakPolarHBondContact O-CB 3.49Å; G463-D466 PolarHBondContact O-N 3.03Å; D466-I468 PolarHBondContact O-N 3.21Å
467P71.4Confident82.8Confident56 Ų5668.5 Ų68.536%0.36440%0.403SS..SBendtrans-76.2-7.4-170.932.1-38000113.7L213L213-P467 HydrophobicContact CD2-CB 3.59Å
468I85.8Confident82.7Confident14 Ų1469 Ų697%0.07241%0.405CS..SBendtrans-126.2119.9176.9-57.1-169000107.3L267 C268 L271 D466 F470 P581L267-I468 HydrophobicContact CD2-CD1 4.44Å; L267-I468 HydrophobicContact CG-CD1 4.33Å; C268-I468 HydrophobicContact CB-CD1 4.12Å; C268-I468 HydrophobicContact CB-CG2 4.22Å; L271-I468 HydrophobicContact CD1-CD1 3.73Å; L271-I468 HydrophobicContact CD1-CG1 4.42Å; D466-I468 PolarHBondContact O-N 3.21Å; I468-F470 HydrophobicContact CB-CD2 4.39Å; I468-F470 HydrophobicContact CB-CE2 3.91Å; I468-F470 HydrophobicContact CG2-CD2 4.2Å; I468-F470 HydrophobicContact CG2-CE2 3.82Å; I468-F470 HydrophobicContact CG2-CZ 4.08Å; I468-F470 WeakPolarHBondContact O-CD2 3.44Å; I468-F470 PolarHBondContact O-N 2.84Å; I468-P581 HydrophobicContact CG2-CB 3.67Å; I468-P581 HydrophobicContact CG2-CG 3.53Å
469D89.7Confident82.2Confident115 Ų11569.4 Ų69.462%0.61541%0.405SS*.  trans-77.3109.2175.8-176.810.3000110.2A471 P581D469-A471 WeakPolarHBondContact OD1-CB 3.39Å; D469-A471 PolarHBondContact OD1-N 2.89Å; D469-P581 WeakPolarHBondContact O-CB 3.42Å; D469-P581 WeakPolarHBondContact O-CG 2.97Å
470F93.7Very high81.9Confident5 Ų563.9 Ų63.92%0.02237%0.371CS..  trans-87.6-3.6175.7-77.5-83.3000113.4C268 L271 A272 L458 L461 I468 P581 L585C268-F470 HydrophobicContact CB-CE1 4.47Å; C268-F470 HydrophobicContact CB-CZ 4.37Å; L271-F470 HydrophobicContact CB-CE2 4.48Å; L271-F470 HydrophobicContact CB-CZ 4.03Å; A272-F470 HydrophobicContact CB-CE1 4.04Å; L458-F470 HydrophobicContact CD2-CB 4.04Å; L458-F470 WeakPolarHBondContact CD2-O 3.32Å; L461-F470 HydrophobicContact CB-CB 4.49Å; L461-F470 HydrophobicContact CB-CD2 3.87Å; L461-F470 HydrophobicContact CB-CE2 4.49Å; L461-F470 HydrophobicContact CB-CG 4.34Å; L461-F470 HydrophobicContact CD1-CD1 4.38Å; L461-F470 HydrophobicContact CD1-CD2 3.92Å; L461-F470 HydrophobicContact CD1-CE1 4.48Å; L461-F470 HydrophobicContact CD1-CE2 4Å; L461-F470 HydrophobicContact CD1-CG 4.11Å; L461-F470 HydrophobicContact CD1-CZ 4.28Å; L461-F470 HydrophobicContact CG-CD2 4.42Å; I468-F470 HydrophobicContact CB-CD2 4.39Å; I468-F470 HydrophobicContact CB-CE2 3.91Å; I468-F470 HydrophobicContact CG2-CD2 4.2Å; I468-F470 HydrophobicContact CG2-CE2 3.82Å; I468-F470 HydrophobicContact CG2-CZ 4.08Å; I468-F470 WeakPolarHBondContact O-CD2 3.44Å; I468-F470 PolarHBondContact O-N 2.84Å; F470-P581 HydrophobicContact CD1-CB 3.67Å; F470-P581 WeakPolarHBondContact CD1-O 3.48Å; F470-P581 HydrophobicContact CE1-CB 3.9Å; F470-P581 WeakPolarHBondContact CE1-O 3.49Å; F470-P581 HydrophobicContact CG-CB 4.12Å; F470-L585 HydrophobicContact CB-CD2 4.04Å; F470-L585 HydrophobicContact CD1-CB 3.83Å; F470-L585 HydrophobicContact CD1-CD1 4.49Å; F470-L585 HydrophobicContact CD1-CD2 4.09Å; F470-L585 HydrophobicContact CD1-CG 4.37Å; F470-L585 HydrophobicContact CE1-CB 4.32Å; F470-L585 HydrophobicContact CG-CD2 4.31Å
471A93.3Very high81.6Confident50 Ų5064.2 Ų64.241%0.41336%0.364SS..SBendtrans-58.9147.7-179.300000111.4D469 P473D469-A471 WeakPolarHBondContact OD1-CB 3.39Å; D469-A471 PolarHBondContact OD1-N 2.89Å; A471-P473 VanDerWaalsContact O-CD 3.3Å; A471-P473 WeakPolarHBondContact O-CD 3.24Å
472R94.3Very high81Confident103 Ų10363.5 Ų63.539%0.38936%0.36SS..PPolyproline II helixtrans-64.6124.2175.9-167.8175-175.7-137.71.3109.2W579 Y582R472-W579 HydrophobicContact CG-CZ3 4.41Å; R472-Y582 VanDerWaalsContact CA-CD2 3.44Å; R472-Y582 HydrophobicContact CB-CD2 3.6Å; R472-Y582 HydrophobicContact CB-CE2 3.48Å; R472-Y582 VanDerWaalsContact CB-CE2 3.48Å; R472-Y582 HydrophobicContact CB-CG 4.21Å; R472-Y582 HydrophobicContact CG-CD1 4.18Å; R472-Y582 HydrophobicContact CG-CD2 3.98Å; R472-Y582 HydrophobicContact CG-CE1 3.94Å; R472-Y582 HydrophobicContact CG-CE2 3.7Å; R472-Y582 HydrophobicContact CG-CG 4.2Å
473P93.6Very high81Confident9 Ų964.6 Ų64.66%0.05835%0.35CS..PPolyproline II helixtrans-60.7158.8175.6-26.137.3000112.5A471 Q578 W579A471-P473 VanDerWaalsContact O-CD 3.3Å; A471-P473 WeakPolarHBondContact O-CD 3.24Å; P473-Q578 HydrophobicContact CB-CG 4.09Å; P473-Q578 HydrophobicContact CG-CG 3.96Å; P473-W579 HydrophobicContact CB-CD2 4.05Å; P473-W579 HydrophobicContact CB-CG 4.44Å; P473-W579 HydrophobicContact CB-CH2 4.47Å; P473-W579 HydrophobicContact CB-CZ2 3.86Å; P473-W579 HydrophobicContact CG-CD2 3.64Å; P473-W579 HydrophobicContact CG-CE3 4.05Å; P473-W579 HydrophobicContact CG-CG 3.86Å; P473-W579 HydrophobicContact CG-CZ2 4.31Å
474P91.4Very high80.7Confident66 Ų6663.4 Ų63.443%0.42933%0.334SS..PPolyproline II helixtrans-56.1139.4176.9-27.437.1000112.4D476 T477P474-D476 WeakPolarHBondContact CB-OD1 3.4Å; P474-D476 PolarHBondContact O-N 3.15Å; P474-D476 VanDerWaalsContact O-N 3.13Å; P474-T477 HydrophobicContact CB-CG2 4.21Å; P474-T477 HydrophobicContact CG-CG2 4.47Å; P474-T477 WeakPolarHBondContact O-CB 3.35Å; P474-T477 PolarHBondContact O-N 2.77Å; P474-T477 PolarHBondContact O-OG1 2.99Å
475P88.1Confident80.5Confident100 Ų10057 Ų5765%0.64931%0.306SS*.G310 helixtrans-59.4-26.1-174.9-26.134.7000115.4T477 D478P475-T477 PolarHBondContact O-N 3.29Å; P475-D478 WeakPolarHBondContact O-CB 3.41Å; P475-D478 PolarHBondContact O-N 3.05Å
476D84.2Confident80.5Confident96 Ų9658.7 Ų58.751%0.51331%0.309SS..G310 helixtrans-72.7-13.6176.860.4-42.4000113.4P474 D478 K479P474-D476 WeakPolarHBondContact CB-OD1 3.4Å; P474-D476 PolarHBondContact O-N 3.15Å; P474-D476 VanDerWaalsContact O-N 3.13Å; D476-D478 VanDerWaalsContact C-N 3.33Å; D476-K479 WeakPolarHBondContact O-CE 3.48Å; D476-K479 WeakPolarHBondContact O-CG 3.22Å
477T87.8Confident79.7Confident30 Ų3060.4 Ų60.418%0.18434%0.338CS..G310 helixtrans-80.9-13.7172.467.20000113.2P474 P475 K479 W579P474-T477 HydrophobicContact CB-CG2 4.21Å; P474-T477 HydrophobicContact CG-CG2 4.47Å; P474-T477 WeakPolarHBondContact O-CB 3.35Å; P474-T477 PolarHBondContact O-N 2.77Å; P474-T477 PolarHBondContact O-OG1 2.99Å; P475-T477 PolarHBondContact O-N 3.29Å; T477-K479 VanDerWaalsContact C-N 3.3Å; T477-K479 PolarHBondContact O-N 3.35Å; T477-W579 WeakPolarHBondContact OG1-CZ2 3.33Å; T477-W579 PolarHBondContact OG1-NE1 2.95Å
478D90.8Very high79.2Confident19 Ų1959.8 Ų59.810%0.10233%0.333CS..  trans-76.679.8171.6-174.612.7000109.9R360 L361 P475 D476 H494 Y570 W579R360-D478 WeakPolarHBondContact CB-OD2 3.49Å; L361-D478 HydrophobicContact CB-CB 4.46Å; L361-D478 VanDerWaalsContact CG-OD1 3.29Å; L361-D478 WeakPolarHBondContact CG-OD1 3.39Å; L361-D478 PolarHBondContact N-OD1 3.3Å; P475-D478 WeakPolarHBondContact O-CB 3.41Å; P475-D478 PolarHBondContact O-N 3.05Å; D476-D478 VanDerWaalsContact C-N 3.33Å; D478-H494 PolarHBondContact O-NE2 3.5Å; D478-H494 IonicContact OD1-CE1 3.84Å; D478-H494 IonicContact OD1-NE2 3.81Å; D478-H494 PolarHBondContact OD1-NE2 2.87Å; D478-H494 IonicContact OD2-NE2 3.85Å; D478-Y570 PolarHBondContact OD1-OH 2.92Å; D478-W579 HydrophobicContact CB-CH2 4.37Å; D478-W579 HydrophobicContact CB-CZ2 3.92Å
479K83.3Confident78.2Confident53 Ų5362.8 Ų62.823%0.2335%0.352CS..  trans-107.5110.7-176.9-64.7-179.5-177.7170.10110.6E158 D476 T477 K481 Y570E158-K479 IonicContact OE1-NZ 2.86Å; E158-K479 PolarHBondContact OE1-NZ 2.99Å; D476-K479 WeakPolarHBondContact O-CE 3.48Å; D476-K479 WeakPolarHBondContact O-CG 3.22Å; T477-K479 VanDerWaalsContact C-N 3.3Å; T477-K479 PolarHBondContact O-N 3.35Å; K479-K481 PolarHBondContact O-N 2.92Å; K479-Y570 WeakPolarHBondContact O-CE2 3.49Å
480L83Confident77.2Confident1 Ų158.8 Ų58.81%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-74.8105.1173-170.759000110.5P350 V352 I492 Y570P350-L480 HydrophobicContact CB-CD1 3.59Å; P350-L480 HydrophobicContact CB-CG 4.39Å; V352-L480 HydrophobicContact CG1-CD2 3.54Å; V352-L480 HydrophobicContact CG1-CG 4.39Å; L480-I492 WeakPolarHBondContact CB-O 3.47Å; L480-I492 HydrophobicContact CD2-CB 4.38Å; L480-I492 HydrophobicContact CD2-CG2 4.29Å; L480-I492 HydrophobicContact CG-CB 4.4Å; L480-I492 PolarHBondContact O-N 2.8Å; L480-Y570 HydrophobicContact CB-CE2 4.43Å; L480-Y570 HydrophobicContact CD1-CD1 3.39Å; L480-Y570 HydrophobicContact CD1-CD2 3.95Å; L480-Y570 HydrophobicContact CD1-CE1 3.5Å; L480-Y570 VanDerWaalsContact CD1-CE1 3.5Å; L480-Y570 HydrophobicContact CD1-CE2 4.03Å; L480-Y570 HydrophobicContact CD1-CG 3.66Å
481K76.2Confident76.2Confident108 Ų10861.3 Ų61.347%0.4734%0.343SS..EExtended strand (participates in β ladder)trans-98.8114.2177.7-66.1-175.1-179.2179.40110.2K479 F490 D491K479-K481 PolarHBondContact O-N 2.92Å; K481-F490 CarbonylContact C-O 3.56Å; K481-F490 WeakPolarHBondContact CA-O 3.49Å; K481-D491 WeakPolarHBondContact CE-OD1 3.23Å; K481-D491 WeakPolarHBondContact CG-OD1 3.36Å
482L71.2Confident75.6Confident9 Ų959.4 Ų59.45%0.04733%0.326CS..EExtended strand (participates in β ladder)trans-89.9118169.9-167.776.7000109.3Y102 F105 P350 I484 T489 F490 I492Y102-L482 HydrophobicContact CE2-CD1 4.34Å; Y102-L482 HydrophobicContact CE2-CD2 4.19Å; F105-L482 HydrophobicContact CD1-CD2 4.23Å; F105-L482 HydrophobicContact CE1-CD2 3.85Å; P350-L482 HydrophobicContact CG-CD1 4.3Å; L482-I484 HydrophobicContact CD2-CD1 4Å; L482-I484 HydrophobicContact CD2-CG1 3.88Å; L482-I484 HydrophobicContact CG-CG1 4.09Å; L482-T489 WeakPolarHBondContact O-CA 3.31Å; L482-F490 PolarHBondContact N-O 2.74Å; L482-F490 PolarHBondContact O-N 2.88Å; L482-I492 HydrophobicContact CB-CD1 3.27Å; L482-I492 HydrophobicContact CB-CG1 3.81Å; L482-I492 HydrophobicContact CD2-CD1 3.51Å; L482-I492 HydrophobicContact CG-CD1 3.93Å
483K65.8Low75Confident77 Ų7758.7 Ų58.734%0.33533%0.325SS..EExtended strand (participates in β ladder)trans-89.4123.3170-67179.2-169.31750108.5T489 D527K483-T489 HydrophobicContact CD-CG2 4.43Å; K483-T489 HydrophobicContact CG-CG2 3.51Å; K483-D527 HydrophobicContact CB-CB 4.08Å; K483-D527 HydrophobicContact CD-CB 4.42Å; K483-D527 VanDerWaalsContact CD-OD1 3.25Å; K483-D527 WeakPolarHBondContact CD-OD1 3.42Å; K483-D527 WeakPolarHBondContact CD-OD2 3.32Å; K483-D527 IonicContact NZ-OD1 2.78Å; K483-D527 PolarHBondContact NZ-OD1 3.39Å; K483-D527 IonicContact NZ-OD2 3.43Å
484I61.5Low74.8Confident16 Ų1659.2 Ų59.28%0.08233%0.327CS..EExtended strand (participates in β ladder)trans-107.2-43.2-174.9-60.3-176.6000110.5F105 R106 I109 L482 V488 F490F105-I484 HydrophobicContact CD1-CD1 4.5Å; F105-I484 HydrophobicContact CE1-CD1 4.11Å; R106-I484 HydrophobicContact CB-CG2 4.27Å; R106-I484 HydrophobicContact CG-CG2 3.67Å; I109-I484 HydrophobicContact CD1-CD1 2.97Å; I109-I484 HydrophobicContact CD1-CG1 4.46Å; I109-I484 HydrophobicContact CG1-CD1 3.44Å; I109-I484 VanDerWaalsContact CG1-CD1 3.44Å; L482-I484 HydrophobicContact CD2-CD1 4Å; L482-I484 HydrophobicContact CD2-CG1 3.88Å; L482-I484 HydrophobicContact CG-CG1 4.09Å; I484-V488 PolarHBondContact N-O 3.48Å; I484-F490 HydrophobicContact CD1-CD2 3.56Å; I484-F490 HydrophobicContact CD1-CE2 3.71Å; I484-F490 HydrophobicContact CG1-CD2 4.14Å; I484-F490 HydrophobicContact CG1-CE2 4.4Å
485N55.1Low74.5Confident69 Ų6956.9 Ų56.937%0.36931%0.312SS..EExtended strand (participates in β ladder)trans-138.4166.7176-69.9-20.6000108.8P111 G487 V488P111-N485 VanDerWaalsContact CD-ND2 3.35Å; P111-N485 WeakPolarHBondContact CD-ND2 3.25Å; P111-N485 HydrophobicContact CG-CB 4.49Å; N485-G487 PolarHBondContact O-N 3.45Å; N485-G487 VanDerWaalsContact O-N 3.16Å; N485-V488 PolarHBondContact O-N 2.95Å; N485-V488 VanDerWaalsContact O-N 3.08Å
486E59.4Low74.4Confident188 Ų18856 Ų5688%0.87930%0.302SS*.THydrogen-bonded Turntrans-51.2121.8176.2-69.5-174.3171.300111.5V488E486-V488 VanDerWaalsContact C-N 3.3Å; E486-V488 PolarHBondContact O-N 2.89Å
487G55.1Low74.6Confident84 Ų8453.8 Ų53.887%0.86629%0.292SS*.THydrogen-bonded Turntrans80.3-3.9176.400000116.1N485N485-G487 PolarHBondContact O-N 3.45Å; N485-G487 VanDerWaalsContact O-N 3.16Å
488V60.3Low74.6Confident44 Ų4454.2 Ų54.227%0.26730%0.295SS..EExtended strand (participates in β ladder)trans-113.7114.1-179.7-174.40000111.9P111 I484 N485 E486 F490P111-V488 HydrophobicContact CB-CG2 3.86Å; P111-V488 HydrophobicContact CG-CB 3.74Å; P111-V488 HydrophobicContact CG-CG1 3.8Å; P111-V488 HydrophobicContact CG-CG2 3.51Å; I484-V488 PolarHBondContact N-O 3.48Å; N485-V488 PolarHBondContact O-N 2.95Å; N485-V488 VanDerWaalsContact O-N 3.08Å; E486-V488 VanDerWaalsContact C-N 3.3Å; E486-V488 PolarHBondContact O-N 2.89Å; V488-F490 HydrophobicContact CG1-CD2 4.22Å; V488-F490 HydrophobicContact CG1-CE2 3.5Å; V488-F490 HydrophobicContact CG1-CZ 3.89Å
489T64Low74.4Confident76 Ų7661.9 Ų61.947%0.46633%0.33SS..EExtended strand (participates in β ladder)trans-117137.7-179.741.60000110.2L482 K483L482-T489 WeakPolarHBondContact O-CA 3.31Å; K483-T489 HydrophobicContact CD-CG2 4.43Å; K483-T489 HydrophobicContact CG-CG2 3.51Å
490F68.3Low74.6Confident32 Ų3265.6 Ų65.614%0.1435%0.348CS..EExtended strand (participates in β ladder)trans-117.7132.4173.1-66.6-89.5000110.1I109 K481 L482 I484 V488 I492I109-F490 HydrophobicContact CB-CE1 4.42Å; I109-F490 HydrophobicContact CB-CE2 4.39Å; I109-F490 HydrophobicContact CB-CZ 3.94Å; I109-F490 HydrophobicContact CD1-CD1 4.31Å; I109-F490 HydrophobicContact CD1-CD2 3.74Å; I109-F490 HydrophobicContact CD1-CE1 4.19Å; I109-F490 HydrophobicContact CD1-CE2 3.59Å; I109-F490 HydrophobicContact CD1-CG 4.09Å; I109-F490 HydrophobicContact CD1-CZ 3.83Å; I109-F490 HydrophobicContact CG1-CE2 3.92Å; I109-F490 HydrophobicContact CG1-CZ 3.99Å; K481-F490 CarbonylContact C-O 3.56Å; K481-F490 WeakPolarHBondContact CA-O 3.49Å; L482-F490 PolarHBondContact N-O 2.74Å; L482-F490 PolarHBondContact O-N 2.88Å; I484-F490 HydrophobicContact CD1-CD2 3.56Å; I484-F490 HydrophobicContact CD1-CE2 3.71Å; I484-F490 HydrophobicContact CG1-CD2 4.14Å; I484-F490 HydrophobicContact CG1-CE2 4.4Å; V488-F490 HydrophobicContact CG1-CD2 4.22Å; V488-F490 HydrophobicContact CG1-CE2 3.5Å; V488-F490 HydrophobicContact CG1-CZ 3.89Å; F490-I492 HydrophobicContact CB-CG1 4.45Å; F490-I492 PolarHBondContact O-N 2.89Å
491D72.7Confident74.9Confident58 Ų5866.6 Ų66.631%0.3135%0.353SS..EExtended strand (participates in β ladder)trans-73.9115166.7-69.6-16.2000108.2T66 K481T66-D491 PolarHBondContact N-O 2.66Å; K481-D491 WeakPolarHBondContact CE-OD1 3.23Å; K481-D491 WeakPolarHBondContact CG-OD1 3.36Å
492I81Confident75.6Confident9 Ų963.8 Ų63.85%0.04635%0.35CS..EExtended strand (participates in β ladder)trans-104.3139.5178.1-59-156.9000108.1L63 Q64 F105 V352 L480 L482 F490L63-I492 HydrophobicContact CD1-CD1 4.07Å; L63-I492 HydrophobicContact CD1-CG2 3.86Å; L63-I492 HydrophobicContact CD2-CD1 4.29Å; L63-I492 HydrophobicContact CG-CG2 4.31Å; Q64-I492 WeakPolarHBondContact O-CA 3.23Å; Q64-I492 WeakPolarHBondContact O-CG2 3.41Å; F105-I492 HydrophobicContact CE1-CD1 4.03Å; F105-I492 HydrophobicContact CZ-CD1 4.43Å; V352-I492 HydrophobicContact CB-CG2 4.35Å; V352-I492 HydrophobicContact CG1-CD1 4.35Å; V352-I492 HydrophobicContact CG1-CG2 3.8Å; L480-I492 WeakPolarHBondContact CB-O 3.47Å; L480-I492 HydrophobicContact CD2-CB 4.38Å; L480-I492 HydrophobicContact CD2-CG2 4.29Å; L480-I492 HydrophobicContact CG-CB 4.4Å; L480-I492 PolarHBondContact O-N 2.8Å; L482-I492 HydrophobicContact CB-CD1 3.27Å; L482-I492 HydrophobicContact CB-CG1 3.81Å; L482-I492 HydrophobicContact CD2-CD1 3.51Å; L482-I492 HydrophobicContact CG-CD1 3.93Å; F490-I492 HydrophobicContact CB-CG1 4.45Å; F490-I492 PolarHBondContact O-N 2.89Å
493K82.7Confident76.5Confident88 Ų8871.2 Ų71.238%0.38338%0.378SS..PPolyproline II helixtrans-73.4137172.1-166.3-168.8177.4-149.80109.1Q64 D496Q64-K493 HydrophobicContact CB-CB 3.99Å; Q64-K493 HydrophobicContact CB-CD 4.5Å; Q64-K493 VanDerWaalsContact CD-CD 3.45Å; Q64-K493 HydrophobicContact CG-CB 4.06Å; Q64-K493 HydrophobicContact CG-CD 4.27Å; Q64-K493 PolarHBondContact O-N 3.4Å; Q64-K493 VanDerWaalsContact OE1-CD 3.28Å; K493-D496 IonicContact NZ-OD1 3.66Å; K493-D496 PolarHBondContact NZ-OD1 3.23Å; K493-D496 IonicContact NZ-OD2 2.74Å; K493-D496 PolarHBondContact NZ-OD2 3.19Å
494H88.7Confident77.7Confident21 Ų2168.7 Ų68.710%0.09737%0.367CS..PPolyproline II helixtrans-53.3145.1169.1-66.2-65.7000111.8H358 D478 D496 Y570H358-H494 AromaticContact CD2-ND1 3.9Å; H358-H494 AromaticContact CE1-ND1 3.53Å; H358-H494 AromaticContact NE2-CE1 3.71Å; H358-H494 AromaticContact NE2-CG 3.95Å; H358-H494 AromaticContact NE2-ND1 2.91Å; H358-H494 PolarHBondContact NE2-ND1 2.8Å; D478-H494 PolarHBondContact O-NE2 3.5Å; D478-H494 IonicContact OD1-CE1 3.84Å; D478-H494 IonicContact OD1-NE2 3.81Å; D478-H494 PolarHBondContact OD1-NE2 2.87Å; D478-H494 IonicContact OD2-NE2 3.85Å; H494-D496 PolarHBondContact O-N 3.13Å; H494-Y570 AromaticContact CE1-CZ 3.76Å; H494-Y570 PolarHBondContact CE1-OH 3.44Å
495P86.5Confident79.2Confident16 Ų1670.1 Ų70.110%0.10437%0.371CS..PPolyproline II helixtrans-53.2136.6168-21.831.4000110.6V352 F355 H358 R360V352-P495 WeakPolarHBondContact O-CG 3.29Å; F355-P495 HydrophobicContact CB-CB 4.09Å; F355-P495 HydrophobicContact CD2-CB 4.3Å; H358-P495 HydrophobicContact CB-CG 4Å; R360-P495 PolarHBondContact NH2-O 3.15Å
496D85.5Confident80.7Confident82 Ų8268.8 Ų68.844%0.43937%0.367SS..PPolyproline II helixtrans-70.6144.1174.3-66-40.2000109.6K493 H494 P498K493-D496 IonicContact NZ-OD1 3.66Å; K493-D496 PolarHBondContact NZ-OD1 3.23Å; K493-D496 IonicContact NZ-OD2 2.74Å; K493-D496 PolarHBondContact NZ-OD2 3.19Å; H494-D496 PolarHBondContact O-N 3.13Å; D496-P498 WeakPolarHBondContact O-CD 3.35Å
497V88Confident82.1Confident50 Ų5066.3 Ų66.330%0.30337%0.367SS..PPolyproline II helixtrans-70.6125.9174.4-176.50000107.9F355 L501 Y505F355-V497 HydrophobicContact CE1-CG1 4.25Å; F355-V497 HydrophobicContact CE2-CB 3.97Å; F355-V497 HydrophobicContact CE2-CG1 4.21Å; F355-V497 HydrophobicContact CE2-CG2 3.54Å; F355-V497 HydrophobicContact CZ-CB 3.99Å; F355-V497 HydrophobicContact CZ-CG1 3.7Å; F355-V497 HydrophobicContact CZ-CG2 3.77Å; V497-L501 HydrophobicContact CG1-CB 4.2Å; V497-Y505 HydrophobicContact CG1-CD2 3.79Å; V497-Y505 HydrophobicContact CG1-CG 4.18Å
498P87.3Confident83.6Confident38 Ų3863.5 Ų63.525%0.24734%0.338CS..PPolyproline II helixtrans-56.4140.6172.2-24.634.5000111.3F355 D496 E500 L501 A502F355-P498 HydrophobicContact CD1-CG 4.07Å; F355-P498 HydrophobicContact CG-CG 4.46Å; D496-P498 WeakPolarHBondContact O-CD 3.35Å; P498-E500 VanDerWaalsContact CB-CD 3.48Å; P498-E500 HydrophobicContact CB-CG 4.32Å; P498-E500 WeakPolarHBondContact CB-OE1 3.45Å; P498-E500 PolarHBondContact O-N 2.83Å; P498-L501 HydrophobicContact CB-CB 4.38Å; P498-L501 HydrophobicContact CB-CD1 4.34Å; P498-L501 HydrophobicContact CB-CG 4.26Å; P498-L501 HydrophobicContact CG-CD1 4.05Å; P498-L501 HydrophobicContact CG-CG 4.5Å; P498-L501 CarbonylContact O-C 3.52Å; P498-L501 WeakPolarHBondContact O-CA 3.18Å; P498-L501 PolarHBondContact O-N 2.84Å; P498-A502 PolarHBondContact O-N 2.84Å; P498-A502 VanDerWaalsContact O-N 3.1Å
499E87.2Confident85.2Confident180 Ų18062.5 Ų62.584%0.84133%0.332SS*.G310 helixtrans-59.2-38-172.9-171.4175-177.300111.8L501 A502E499-L501 PolarHBondContact O-N 3.1Å; E499-A502 WeakPolarHBondContact O-CB 3.34Å; E499-A502 PolarHBondContact O-N 3.32Å
500E87.7Confident86.7Confident132 Ų13259 Ų5962%0.61731%0.31SS*.G310 helixtrans-64.4-22.6175.465.6-85.9-157.600113.8P498P498-E500 VanDerWaalsContact CB-CD 3.48Å; P498-E500 HydrophobicContact CB-CG 4.32Å; P498-E500 WeakPolarHBondContact CB-OE1 3.45Å; P498-E500 PolarHBondContact O-N 2.83Å
501L89.1Confident88Confident21 Ų2158 Ų5811%0.1131%0.308CS..G310 helixtrans-98.8-11.8178.7-63.9-174.7000113F355 V497 P498 E499 R503 F504 Y505F355-L501 HydrophobicContact CD1-CD1 4.11Å; F355-L501 HydrophobicContact CE1-CD1 3.85Å; V497-L501 HydrophobicContact CG1-CB 4.2Å; P498-L501 HydrophobicContact CB-CB 4.38Å; P498-L501 HydrophobicContact CB-CD1 4.34Å; P498-L501 HydrophobicContact CB-CG 4.26Å; P498-L501 HydrophobicContact CG-CD1 4.05Å; P498-L501 HydrophobicContact CG-CG 4.5Å; P498-L501 CarbonylContact O-C 3.52Å; P498-L501 WeakPolarHBondContact O-CA 3.18Å; P498-L501 PolarHBondContact O-N 2.84Å; E499-L501 PolarHBondContact O-N 3.1Å; L501-R503 PolarHBondContact O-N 3.46Å; L501-F504 HydrophobicContact CD2-CD2 4.17Å; L501-F504 HydrophobicContact CD2-CE2 4.44Å; L501-F504 WeakPolarHBondContact O-CB 3.35Å; L501-F504 PolarHBondContact O-N 2.89Å; L501-Y505 HydrophobicContact CB-CD2 4.15Å; L501-Y505 HydrophobicContact CB-CE2 3.98Å; L501-Y505 HydrophobicContact CD1-CE2 4.39Å; L501-Y505 WeakPolarHBondContact O-CD2 3.22Å
502A90.1Very high89.2Confident50 Ų5056.3 Ų56.341%0.41330%0.3SS..G310 helixtrans-51-36.1-171.100000114.2P498 E499 F504 Y505P498-A502 PolarHBondContact O-N 2.84Å; P498-A502 VanDerWaalsContact O-N 3.1Å; E499-A502 WeakPolarHBondContact O-CB 3.34Å; E499-A502 PolarHBondContact O-N 3.32Å; A502-F504 PolarHBondContact O-N 2.86Å; A502-Y505 CarbonylContact O-C 3.57Å; A502-Y505 PolarHBondContact O-N 2.95Å
503R90.7Very high89.8Confident165 Ų16556.6 Ų56.662%0.62330%0.3SS*.G310 helixtrans-63.1-24.4178.269.1177.7180174.2-1.3114.4P445 L501P445-R503 WeakPolarHBondContact CB-O 3.41Å; L501-R503 PolarHBondContact O-N 3.46Å
504F91.4Very high90.3Very high24 Ų2453.4 Ų53.411%0.10529%0.287CS..G310 helixtrans-92.5-6.2-179.5-56.4-64.1000112.9F441 E442 P445 L501 A502 P506F441-F504 HydrophobicContact CE1-CB 4.37Å; F441-F504 HydrophobicContact CE1-CD1 4.49Å; F441-F504 WeakPolarHBondContact CZ-O 3.45Å; E442-F504 HydrophobicContact CB-CE1 4.39Å; E442-F504 HydrophobicContact CG-CE1 4.49Å; P445-F504 HydrophobicContact CG-CD1 3.96Å; P445-F504 HydrophobicContact CG-CE1 4.17Å; L501-F504 HydrophobicContact CD2-CD2 4.17Å; L501-F504 HydrophobicContact CD2-CE2 4.44Å; L501-F504 WeakPolarHBondContact O-CB 3.35Å; L501-F504 PolarHBondContact O-N 2.89Å; A502-F504 PolarHBondContact O-N 2.86Å; F504-P506 WeakPolarHBondContact O-CD 3.49Å
505Y92.1Very high90.5Very high45 Ų4552.6 Ų52.618%0.17629%0.285CS..SBendtrans-126.359.2178.4-59.7-87.6000110.7F355 V497 L501 A502 A511F355-Y505 HydrophobicContact CE1-CD2 4.09Å; F355-Y505 HydrophobicContact CE1-CE1 4.28Å; F355-Y505 AromaticContact CE1-CE2 3.59Å; F355-Y505 HydrophobicContact CE1-CE2 3.59Å; F355-Y505 AromaticContact CE1-CZ 3.69Å; F355-Y505 AromaticContact CZ-CD1 3.98Å; F355-Y505 HydrophobicContact CZ-CD1 3.98Å; F355-Y505 AromaticContact CZ-CD2 3.76Å; F355-Y505 HydrophobicContact CZ-CD2 3.76Å; F355-Y505 AromaticContact CZ-CE1 3.87Å; F355-Y505 HydrophobicContact CZ-CE1 3.87Å; F355-Y505 AromaticContact CZ-CE2 3.67Å; F355-Y505 HydrophobicContact CZ-CE2 3.67Å; F355-Y505 AromaticContact CZ-CG 3.93Å; F355-Y505 HydrophobicContact CZ-CG 3.93Å; F355-Y505 AromaticContact CZ-CZ 3.72Å; V497-Y505 HydrophobicContact CG1-CD2 3.79Å; V497-Y505 HydrophobicContact CG1-CG 4.18Å; L501-Y505 HydrophobicContact CB-CD2 4.15Å; L501-Y505 HydrophobicContact CB-CE2 3.98Å; L501-Y505 HydrophobicContact CD1-CE2 4.39Å; L501-Y505 WeakPolarHBondContact O-CD2 3.22Å; A502-Y505 CarbonylContact O-C 3.57Å; A502-Y505 PolarHBondContact O-N 2.95Å; Y505-A511 HydrophobicContact CD1-CB 3.73Å; Y505-A511 HydrophobicContact CE1-CB 3.79Å
506P88Confident90.8Very high41 Ų4152.4 Ų52.427%0.26628%0.283SS..  trans-61.4139.917921.9-27.6000111F504 G508 V509F504-P506 WeakPolarHBondContact O-CD 3.49Å; P506-G508 PolarHBondContact O-N 3.33Å; P506-V509 HydrophobicContact CB-CG2 4.2Å; P506-V509 HydrophobicContact CG-CB 3.86Å; P506-V509 HydrophobicContact CG-CG1 4.37Å; P506-V509 HydrophobicContact CG-CG2 3.72Å; P506-V509 PolarHBondContact O-N 2.79Å
507P87.1Confident91.3Very high137 Ų13748.5 Ų48.589%0.8926%0.263SS*.THydrogen-bonded Turntrans-55.1124.8-177.4-27.935000113.1V509P507-V509 VanDerWaalsContact C-N 3.32Å; P507-V509 PolarHBondContact O-N 2.83Å
508G87.3Confident91.6Very high25 Ų2546.1 Ų46.126%0.25825%0.248SC..THydrogen-bonded Turntrans82.3-0.4175.500000116.8P506P506-G508 PolarHBondContact O-N 3.33Å
509V93.5Very high92Very high23 Ų2344.3 Ų44.314%0.13924%0.236CC..SBendtrans-85.1127.4166.11760000108.8C448 D451 P506 P507 A511C448-V509 HydrophobicContact CB-CG1 4.45Å; D451-V509 HydrophobicContact CB-CG1 4.05Å; D451-V509 HydrophobicContact CB-CG2 4.38Å; P506-V509 HydrophobicContact CB-CG2 4.2Å; P506-V509 HydrophobicContact CG-CB 3.86Å; P506-V509 HydrophobicContact CG-CG1 4.37Å; P506-V509 HydrophobicContact CG-CG2 3.72Å; P506-V509 PolarHBondContact O-N 2.79Å; P507-V509 VanDerWaalsContact C-N 3.32Å; P507-V509 PolarHBondContact O-N 2.83Å; V509-A511 PolarHBondContact O-N 2.71Å
510P96.6Very high92.2Very high2 Ų235.7 Ų35.71%0.01320%0.196CC..PPolyproline II helixtrans-57.3120.1173.3-27.436.7000111.5G362 I364 W450 L454 A586G362-P510 WeakPolarHBondContact O-CB 3.43Å; I364-P510 HydrophobicContact CD1-CB 4.01Å; I364-P510 HydrophobicContact CG1-CB 4.04Å; W450-P510 PolarHBondContact NE1-O 3.08Å; L454-P510 HydrophobicContact CD2-CG 3.68Å; P510-A586 HydrophobicContact CB-CB 4.3Å; P510-A586 HydrophobicContact CG-CB 3.96Å
511A95.9Very high92.1Very high10 Ų1036 Ų368%0.08319%0.192CC..PPolyproline II helixtrans-75.1143.1172.700000110D363 I364 Y505 V509D363-A511 WeakPolarHBondContact CB-O 3.49Å; D363-A511 WeakPolarHBondContact OD1-CB 3.43Å; D363-A511 PolarHBondContact OD1-N 3.16Å; I364-A511 PolarHBondContact N-O 2.74Å; Y505-A511 HydrophobicContact CD1-CB 3.73Å; Y505-A511 HydrophobicContact CE1-CB 3.79Å; V509-A511 PolarHBondContact O-N 2.71Å
512V96.1Very high92.1Very high24 Ų2436.5 Ų36.515%0.14520%0.196CC..EExtended strand (participates in β ladder)trans-108.1128.5179.4-178.70000109.5I364 V366 L438 W450 L514 F590I364-V512 HydrophobicContact CB-CG2 4.24Å; I364-V512 HydrophobicContact CD1-CG2 4.37Å; I364-V512 CarbonylContact O-C 3.49Å; I364-V512 WeakPolarHBondContact O-CA 3.45Å; V366-V512 HydrophobicContact CG2-CG1 3.88Å; L438-V512 HydrophobicContact CD2-CB 4Å; L438-V512 HydrophobicContact CD2-CG1 4.02Å; W450-V512 HydrophobicContact CD2-CG2 4.36Å; W450-V512 HydrophobicContact CH2-CG2 4.24Å; W450-V512 HydrophobicContact CZ2-CG2 3.65Å; V512-L514 HydrophobicContact CG1-CD2 4.46Å; V512-F590 HydrophobicContact CB-CE2 4.35Å; V512-F590 HydrophobicContact CB-CZ 4.46Å; V512-F590 HydrophobicContact CG1-CE1 3.92Å; V512-F590 HydrophobicContact CG1-CE2 4.03Å; V512-F590 HydrophobicContact CG1-CZ 3.67Å; V512-F590 HydrophobicContact CG2-CD2 3.72Å; V512-F590 HydrophobicContact CG2-CE2 3.65Å; V512-F590 HydrophobicContact CG2-CG 4.3Å; V512-F590 HydrophobicContact CG2-CZ 4.17Å
513R94.2Very high92Very high14 Ų1434.1 Ų34.15%0.05318%0.176CC..EExtended strand (participates in β ladder)trans-125.1140175.7-67.4-178.2-179.173.70.6111.3E356 H358 S359 D363 I364 V365 V366 L540E356-R513 VanDerWaalsContact O-CD 3.25Å; E356-R513 WeakPolarHBondContact O-CD 3.28Å; E356-R513 PolarHBondContact O-NE 2.96Å; E356-R513 VanDerWaalsContact O-NE 3.1Å; H358-R513 PolarHBondContact O-NE 3.4Å; H358-R513 VanDerWaalsContact O-NE 3.17Å; H358-R513 PolarHBondContact O-NH1 3.23Å; H358-R513 PolarHBondContact O-NH2 3.47Å; S359-R513 WeakPolarHBondContact OG-CD 3.41Å; D363-R513 IonicContact OD2-CZ 2.65Å; D363-R513 IonicContact OD2-NH1 3.68Å; D363-R513 PolarHBondContact OD2-NH1 2.95Å; I364-R513 PolarHBondContact O-N 2.77Å; V365-R513 CarbonylContact C-O 3.56Å; V365-R513 WeakPolarHBondContact CA-O 3.42Å; V366-R513 PolarHBondContact N-O 3.35Å; R513-L540 HydrophobicContact CB-CD1 4.08Å
514L93.9Very high91.7Very high22 Ų2226.7 Ų26.712%0.11515%0.149CC..EExtended strand (participates in β ladder)trans-102.8125.7178.8-56.3-168.3000109.4V366 A368 R371 V434 L438 V512 L540V366-L514 HydrophobicContact CB-CD2 3.63Å; V366-L514 HydrophobicContact CG1-CD2 4.11Å; V366-L514 HydrophobicContact CG2-CD2 4.19Å; V366-L514 WeakPolarHBondContact O-CA 3.48Å; A368-L514 HydrophobicContact CB-CB 4.2Å; A368-L514 HydrophobicContact CB-CD1 4.41Å; R371-L514 HydrophobicContact CG-CD1 4.17Å; V434-L514 HydrophobicContact CG1-CD1 4.17Å; V434-L514 HydrophobicContact CG1-CD2 3.67Å; L438-L514 HydrophobicContact CD1-CD1 3.93Å; L438-L514 HydrophobicContact CD1-CD2 4.13Å; L438-L514 HydrophobicContact CD1-CG 4.08Å; V512-L514 HydrophobicContact CG1-CD2 4.46Å; L514-L540 WeakPolarHBondContact O-CD1 3.5Å
515G92.4Very high91.3Very high4 Ų429.5 Ų29.54%0.04117%0.165CC..EExtended strand (participates in β ladder)trans179.2-176.517500000114.8V366 S367 A368V366-G515 PolarHBondContact O-N 2.82Å; S367-G515 WeakPolarHBondContact CA-O 3.17Å; A368-G515 PolarHBondContact N-O 2.89Å; A368-G515 CarbonylContact O-C 3.55Å; A368-G515 VanDerWaalsContact O-CA 3.24Å; A368-G515 WeakPolarHBondContact O-CA 3.07Å; A368-G515 PolarHBondContact O-N 3.39Å
516C93.1Very high90.7Very high11 Ų1130.7 Ų30.77%0.07418%0.175CC..EExtended strand (participates in β ladder)trans-76.5140.2-178.6-169.80000111.2L539 L540C516-L539 HydrophobicContact CB-CD2 4.1Å; C516-L539 WeakPolarHBondContact O-CA 3.35Å; C516-L540 PolarHBondContact O-N 3.42Å
517M95.1Very high90.2Very high0 Ų030.8 Ų30.80%017%0.173CC..EExtended strand (participates in β ladder)trans-102.9149.3172.1-58.8178.4-179.700110.9V365 I396 Y397 I398 C541 L563 R565V365-M517 HydrophobicContact CB-CE 4.34Å; V365-M517 HydrophobicContact CG1-CE 3.92Å; V365-M517 WeakPolarHBondContact O-CE 2.98Å; I396-M517 PolarHBondContact O-N 2.86Å; Y397-M517 CarbonylContact C-O 3.51Å; Y397-M517 WeakPolarHBondContact CA-O 3.5Å; Y397-M517 HydrophobicContact CD2-CB 3.81Å; Y397-M517 HydrophobicContact CE2-CB 4.26Å; I398-M517 PolarHBondContact N-O 2.98Å; M517-C541 CarbonylContact C-O 3.56Å; M517-C541 VanDerWaalsContact CA-O 3.23Å; M517-C541 WeakPolarHBondContact CA-O 3.36Å; M517-C541 HydrophobicContact CG-CB 4.2Å; M517-L563 HydrophobicContact CE-CB 4.1Å; M517-L563 HydrophobicContact SD-CB 3.72Å; M517-L563 HydrophobicContact SD-CD2 4.18Å; M517-R565 HydrophobicContact CE-CB 4.07Å; M517-R565 HydrophobicContact CE-CG 3.61Å; M517-R565 HydrophobicContact SD-CG 3.65Å
518G94.9Very high89.8Confident0 Ų026.6 Ų26.60%015%0.15CC..EExtended strand (participates in β ladder)trans-121.4159.9177.200000113.3I398 C541 Y542 D543I398-G518 CarbonylContact O-C 3.57Å; I398-G518 VanDerWaalsContact O-CA 3.29Å; I398-G518 WeakPolarHBondContact O-CA 3.4Å; G518-C541 PolarHBondContact N-O 2.8Å; G518-Y542 CarbonylContact O-C 3.59Å; G518-Y542 VanDerWaalsContact O-CA 3.25Å; G518-Y542 WeakPolarHBondContact O-CA 3.1Å; G518-D543 PolarHBondContact O-N 3.48Å
519S94.9Very high89.8Confident0 Ų026.5 Ų26.50%014%0.144CC..EExtended strand (participates in β ladder)trans-163.3170.1169.359.10000110.3Y397 I398 Y399 C400 D543Y397-S519 WeakPolarHBondContact CE1-OG 3.32Å; Y397-S519 WeakPolarHBondContact OH-CB 3.46Å; Y397-S519 PolarHBondContact OH-OG 3Å; I398-S519 PolarHBondContact O-N 2.63Å; Y399-S519 CarbonylContact C-O 3.6Å; Y399-S519 WeakPolarHBondContact CA-O 3.29Å; Y399-S519 WeakPolarHBondContact CD2-OG 3.39Å; C400-S519 PolarHBondContact N-O 2.95Å; S519-D543 WeakPolarHBondContact CB-O 3.44Å
520G91.9Very high89.5Confident0 Ų026.1 Ų26.10%014%0.14CC..  trans132.2122.2170.600000111.6C400 P522 V523 T524C400-G520 WeakPolarHBondContact O-CA 3.18Å; G520-P522 VanDerWaalsContact C-N 3.31Å; G520-P522 WeakPolarHBondContact O-CD 3.37Å; G520-P522 VanDerWaalsContact O-N 3.08Å; G520-V523 WeakPolarHBondContact O-CG2 3.22Å; G520-V523 PolarHBondContact O-N 3.24Å; G520-T524 PolarHBondContact O-N 2.83Å; G520-T524 PolarHBondContact O-OG1 2.97Å
521R86.8Confident88.9Confident138 Ų13827.9 Ų27.952%0.52115%0.153SC..Hα-helixtrans-39.9-47.1178.5-174.8-178.6176.5-176.80.4116R315 V523 T524 D525 E545R315-R521 HydrophobicContact CG-CB 4.47Å; R521-V523 PolarHBondContact O-N 2.98Å; R521-V523 VanDerWaalsContact O-N 3.08Å; R521-T524 WeakPolarHBondContact CA-OG1 3.41Å; R521-T524 PolarHBondContact O-N 3.04Å; R521-T524 PolarHBondContact O-OG1 3.03Å; R521-D525 WeakPolarHBondContact CG-OD2 3.07Å; R521-D525 IonicContact CZ-OD2 2.67Å; R521-D525 IonicContact NE-OD2 3.47Å; R521-D525 PolarHBondContact NE-OD2 2.94Å; R521-D525 IonicContact NH2-OD2 3.43Å; R521-D525 WeakPolarHBondContact O-CB 3.29Å; R521-D525 PolarHBondContact O-N 3.15Å; R521-D525 VanDerWaalsContact O-N 3.12Å; R521-E545 PolarHBondContact N-OE1 2.92Å
522P88Confident88.4Confident31 Ų3130.2 Ų30.220%0.20116%0.164CC..Hα-helixtrans-63-21.1-174.3-17.129.1000114.1C400 L403 G520 L529C400-P522 WeakPolarHBondContact O-CD 3.33Å; L403-P522 HydrophobicContact CD1-CB 3.94Å; L403-P522 HydrophobicContact CD2-CB 4.14Å; L403-P522 HydrophobicContact CG-CB 3.62Å; G520-P522 VanDerWaalsContact C-N 3.31Å; G520-P522 WeakPolarHBondContact O-CD 3.37Å; G520-P522 VanDerWaalsContact O-N 3.08Å; P522-L529 WeakPolarHBondContact O-CD1 3.45Å
523V87.9Confident88.2Confident0 Ų029.1 Ų29.10%016%0.157CC..Hα-helixtrans-100.7-26.5177.8-62.90000112.8C400 F418 G520 R521 N526 M530 F533 Y542C400-V523 HydrophobicContact CB-CG1 3.92Å; C400-V523 HydrophobicContact CB-CG2 3.99Å; F418-V523 HydrophobicContact CD1-CG1 3.68Å; F418-V523 HydrophobicContact CE1-CG1 3.46Å; F418-V523 VanDerWaalsContact CE1-CG1 3.46Å; F418-V523 HydrophobicContact CZ-CG1 4.38Å; G520-V523 WeakPolarHBondContact O-CG2 3.22Å; G520-V523 PolarHBondContact O-N 3.24Å; R521-V523 PolarHBondContact O-N 2.98Å; R521-V523 VanDerWaalsContact O-N 3.08Å; V523-N526 VanDerWaalsContact O-O 3.08Å; V523-M530 VanDerWaalsContact O-CA 3.24Å; V523-M530 WeakPolarHBondContact O-CA 3.4Å; V523-M530 VanDerWaalsContact O-CB 3.22Å; V523-M530 WeakPolarHBondContact O-CB 3.33Å; V523-M530 PolarHBondContact O-N 3.44Å; V523-F533 HydrophobicContact CB-CB 3.99Å; V523-F533 HydrophobicContact CB-CD1 4.3Å; V523-F533 HydrophobicContact CB-CG 4.07Å; V523-F533 HydrophobicContact CG1-CB 3.77Å; V523-F533 HydrophobicContact CG1-CD1 4.36Å; V523-F533 HydrophobicContact CG1-CD2 3.78Å; V523-F533 HydrophobicContact CG1-CE2 4.4Å; V523-F533 HydrophobicContact CG1-CG 3.74Å; V523-F533 HydrophobicContact CG2-CB 4.4Å; V523-F533 HydrophobicContact CG2-CD1 3.77Å; V523-F533 HydrophobicContact CG2-CE1 4.05Å; V523-F533 HydrophobicContact CG2-CG 4.01Å; V523-Y542 HydrophobicContact CG2-CE1 4.38Å
524T85.2Confident88Confident9 Ų928.6 Ų28.66%0.05516%0.156CC..Hα-helixtrans-87.2-17-177.857.40000113.6G520 R521 N526 Y542 E572G520-T524 PolarHBondContact O-N 2.83Å; G520-T524 PolarHBondContact O-OG1 2.97Å; R521-T524 WeakPolarHBondContact CA-OG1 3.41Å; R521-T524 PolarHBondContact O-N 3.04Å; R521-T524 PolarHBondContact O-OG1 3.03Å; T524-N526 VanDerWaalsContact C-N 3.28Å; T524-Y542 HydrophobicContact CG2-CD1 4.2Å; T524-Y542 HydrophobicContact CG2-CE1 4.39Å; T524-E572 WeakPolarHBondContact CB-OE1 3.22Å; T524-E572 HydrophobicContact CG2-CG 3.82Å; T524-E572 WeakPolarHBondContact CG2-OE1 3.34Å; T524-E572 PolarHBondContact OG1-OE1 3.38Å
525D82.5Confident87.6Confident83 Ų8330.3 Ų30.344%0.44416%0.163SC..THydrogen-bonded Turntrans-80.4-6.8176.6-73.5-3.6000112.6R315 R521R315-D525 IonicContact CZ-OD1 3.06Å; R315-D525 IonicContact NH1-OD1 3.88Å; R315-D525 PolarHBondContact NH1-OD1 2.98Å; R315-D525 IonicContact NH2-OD1 3.28Å; R521-D525 WeakPolarHBondContact CG-OD2 3.07Å; R521-D525 IonicContact CZ-OD2 2.67Å; R521-D525 IonicContact NE-OD2 3.47Å; R521-D525 PolarHBondContact NE-OD2 2.94Å; R521-D525 IonicContact NH2-OD2 3.43Å; R521-D525 WeakPolarHBondContact O-CB 3.29Å; R521-D525 PolarHBondContact O-N 3.15Å; R521-D525 VanDerWaalsContact O-N 3.12Å
526N80.7Confident87.4Confident71 Ų7135.1 Ų35.138%0.3818%0.184SC..SBendtrans-140.7118.4-179.1-179.3-54.3000110.5V523 T524 A528 L529 M530V523-N526 VanDerWaalsContact O-O 3.08Å; T524-N526 VanDerWaalsContact C-N 3.28Å; N526-A528 VanDerWaalsContact C-N 3.27Å; N526-A528 PolarHBondContact O-N 2.74Å; N526-A528 WeakPolarHBondContact OD1-CA 3.33Å; N526-A528 WeakPolarHBondContact OD1-CB 3.22Å; N526-A528 PolarHBondContact OD1-N 2.83Å; N526-L529 HydrophobicContact CB-CB 4.1Å; N526-L529 HydrophobicContact CB-CD1 3.98Å; N526-L529 HydrophobicContact CB-CG 4.05Å; N526-L529 PolarHBondContact O-N 2.97Å; N526-L529 VanDerWaalsContact O-N 3.15Å; N526-L529 PolarHBondContact OD1-N 2.69Å; N526-L529 VanDerWaalsContact OD1-N 3.13Å; N526-M530 PolarHBondContact O-N 2.9Å
527D77.1Confident87.2Confident42 Ų4234.9 Ų34.923%0.22518%0.182CC..Hα-helixtrans-61.2-33.2-173.8-59.5-49.1000113.2K483 M530 S531K483-D527 HydrophobicContact CB-CB 4.08Å; K483-D527 HydrophobicContact CD-CB 4.42Å; K483-D527 VanDerWaalsContact CD-OD1 3.25Å; K483-D527 WeakPolarHBondContact CD-OD1 3.42Å; K483-D527 WeakPolarHBondContact CD-OD2 3.32Å; K483-D527 IonicContact NZ-OD1 2.78Å; K483-D527 PolarHBondContact NZ-OD1 3.39Å; K483-D527 IonicContact NZ-OD2 3.43Å; D527-M530 PolarHBondContact O-N 2.97Å; D527-S531 PolarHBondContact O-N 2.92Å
528A78.7Confident86.9Confident49 Ų4939.1 Ų39.141%0.40520%0.202SC..Hα-helixtrans-69.3-45.6176.800000111.1N526 M530 S531 D532N526-A528 VanDerWaalsContact C-N 3.27Å; N526-A528 PolarHBondContact O-N 2.74Å; N526-A528 WeakPolarHBondContact OD1-CA 3.33Å; N526-A528 WeakPolarHBondContact OD1-CB 3.22Å; N526-A528 PolarHBondContact OD1-N 2.83Å; A528-M530 VanDerWaalsContact C-N 3.3Å; A528-M530 PolarHBondContact O-N 2.89Å; A528-S531 PolarHBondContact O-N 2.9Å; A528-D532 WeakPolarHBondContact O-CB 3.32Å; A528-D532 VanDerWaalsContact O-CG 3.28Å; A528-D532 PolarHBondContact O-N 3.32Å
529L86.5Confident86.8Confident23 Ų2339.1 Ų39.112%0.1220%0.202CC..Hα-helixtrans-65.2-34.7175.4-64.7-179.4000112.2L403 P416 P522 N526 D532 F533L403-L529 HydrophobicContact CD1-CD1 3.57Å; P416-L529 HydrophobicContact CG-CD2 3.45Å; P416-L529 VanDerWaalsContact CG-CD2 3.45Å; P522-L529 WeakPolarHBondContact O-CD1 3.45Å; N526-L529 HydrophobicContact CB-CB 4.1Å; N526-L529 HydrophobicContact CB-CD1 3.98Å; N526-L529 HydrophobicContact CB-CG 4.05Å; N526-L529 PolarHBondContact O-N 2.97Å; N526-L529 VanDerWaalsContact O-N 3.15Å; N526-L529 PolarHBondContact OD1-N 2.69Å; N526-L529 VanDerWaalsContact OD1-N 3.13Å; L529-D532 PolarHBondContact O-N 3.48Å; L529-F533 WeakPolarHBondContact O-CB 3.33Å; L529-F533 PolarHBondContact O-N 2.56Å
530M88Confident86.7Confident15 Ų1539.8 Ų39.87%0.07421%0.205CC..Hα-helixtrans-60.2-53.3173-162.1177.169.200109.6V523 N526 D527 A528 D532 F533 A534 Y542 M571V523-M530 VanDerWaalsContact O-CA 3.24Å; V523-M530 WeakPolarHBondContact O-CA 3.4Å; V523-M530 VanDerWaalsContact O-CB 3.22Å; V523-M530 WeakPolarHBondContact O-CB 3.33Å; V523-M530 PolarHBondContact O-N 3.44Å; N526-M530 PolarHBondContact O-N 2.9Å; D527-M530 PolarHBondContact O-N 2.97Å; A528-M530 VanDerWaalsContact C-N 3.3Å; A528-M530 PolarHBondContact O-N 2.89Å; M530-D532 VanDerWaalsContact C-N 3.35Å; M530-D532 PolarHBondContact O-N 3.14Å; M530-F533 PolarHBondContact O-N 2.91Å; M530-A534 WeakPolarHBondContact O-CB 3.21Å; M530-A534 PolarHBondContact O-N 2.82Å; M530-Y542 HydrophobicContact CG-CD2 4.24Å; M530-Y542 HydrophobicContact CG-CE1 4.1Å; M530-Y542 HydrophobicContact CG-CE2 3.49Å; M530-Y542 VanDerWaalsContact CG-CE2 3.49Å; M530-Y542 VanDerWaalsContact CG-CZ 3.41Å; M530-Y542 WeakPolarHBondContact CG-OH 3.36Å; M530-Y542 PolarHBondContact O-OH 2.92Å; M530-Y542 HydrophobicContact SD-CD2 4.34Å; M530-Y542 HydrophobicContact SD-CE2 4.14Å; M530-M571 HydrophobicContact CE-CE 3.71Å; M530-M571 HydrophobicContact CE-SD 3.69Å; M530-M571 HydrophobicContact SD-CE 3.7Å; M530-M571 HydrophobicContact SD-SD 4.33Å
531S83.7Confident86.8Confident40 Ų4039.8 Ų39.828%0.2821%0.205SC..Hα-helixtrans-58.5-44.9177.7-176.40000112.6D527 A528 A534 K535D527-S531 PolarHBondContact O-N 2.92Å; A528-S531 PolarHBondContact O-N 2.9Å; S531-A534 PolarHBondContact O-N 2.9Å; S531-K535 WeakPolarHBondContact O-CB 3.47Å; S531-K535 PolarHBondContact O-N 2.87Å
532D85.6Confident87.2Confident59 Ų5933.4 Ų33.432%0.31618%0.181SC..Hα-helixtrans-64.1-44-179.7-72.3-16.1000111.5A528 L529 M530 K535 E536A528-D532 WeakPolarHBondContact O-CB 3.32Å; A528-D532 VanDerWaalsContact O-CG 3.28Å; A528-D532 PolarHBondContact O-N 3.32Å; L529-D532 PolarHBondContact O-N 3.48Å; M530-D532 VanDerWaalsContact C-N 3.35Å; M530-D532 PolarHBondContact O-N 3.14Å; D532-K535 PolarHBondContact O-N 2.85Å; D532-E536 WeakPolarHBondContact O-CB 3.22Å; D532-E536 PolarHBondContact O-N 3.01Å
533F91Very high87.3Confident0 Ų031.9 Ų31.90%017%0.171CC..Hα-helixtrans-63.5-44.4177.3-175.1-107.8000112.3I398 C400 F418 L420 V523 L529 M530 K535 E536 H537 L539 Y542I398-F533 HydrophobicContact CB-CZ 4.49Å; I398-F533 HydrophobicContact CG2-CE2 4.39Å; I398-F533 HydrophobicContact CG2-CZ 3.81Å; C400-F533 HydrophobicContact CB-CD2 4.4Å; C400-F533 HydrophobicContact CB-CE2 3.68Å; C400-F533 HydrophobicContact CB-CZ 3.76Å; F418-F533 HydrophobicContact CB-CD2 4.42Å; F418-F533 HydrophobicContact CB-CE2 4.37Å; F418-F533 AromaticContact CD1-CD2 3.93Å; F418-F533 HydrophobicContact CD1-CD2 3.93Å; F418-F533 AromaticContact CD2-CD2 3.91Å; F418-F533 HydrophobicContact CD2-CD2 3.91Å; F418-F533 HydrophobicContact CE1-CB 4.39Å; F418-F533 HydrophobicContact CE1-CD2 4.2Å; F418-F533 HydrophobicContact CE2-CB 4.38Å; F418-F533 HydrophobicContact CE2-CD2 4.14Å; F418-F533 AromaticContact CG-CD2 3.81Å; F418-F533 HydrophobicContact CG-CD2 3.81Å; F418-F533 HydrophobicContact CG-CE2 4.24Å; F418-F533 HydrophobicContact CZ-CB 4.09Å; F418-F533 HydrophobicContact CZ-CD2 4.29Å; L420-F533 HydrophobicContact CD2-CE2 3.57Å; L420-F533 HydrophobicContact CD2-CZ 4.24Å; V523-F533 HydrophobicContact CB-CB 3.99Å; V523-F533 HydrophobicContact CB-CD1 4.3Å; V523-F533 HydrophobicContact CB-CG 4.07Å; V523-F533 HydrophobicContact CG1-CB 3.77Å; V523-F533 HydrophobicContact CG1-CD1 4.36Å; V523-F533 HydrophobicContact CG1-CD2 3.78Å; V523-F533 HydrophobicContact CG1-CE2 4.4Å; V523-F533 HydrophobicContact CG1-CG 3.74Å; V523-F533 HydrophobicContact CG2-CB 4.4Å; V523-F533 HydrophobicContact CG2-CD1 3.77Å; V523-F533 HydrophobicContact CG2-CE1 4.05Å; V523-F533 HydrophobicContact CG2-CG 4.01Å; L529-F533 WeakPolarHBondContact O-CB 3.33Å; L529-F533 PolarHBondContact O-N 2.56Å; M530-F533 PolarHBondContact O-N 2.91Å; F533-K535 VanDerWaalsContact C-N 3.3Å; F533-K535 PolarHBondContact O-N 2.78Å; F533-E536 PolarHBondContact O-N 3.43Å; F533-H537 AromaticContact CD2-CD2 3.38Å; F533-H537 WeakPolarHBondContact CD2-CD2 3.26Å; F533-H537 AromaticContact CD2-NE2 3.68Å; F533-H537 AromaticContact CE2-CD2 3.23Å; F533-H537 WeakPolarHBondContact CE2-CD2 3.15Å; F533-H537 AromaticContact CE2-NE2 3.5Å; F533-H537 WeakPolarHBondContact CE2-NE2 3.47Å; F533-H537 AromaticContact CZ-CD2 3.76Å; F533-H537 WeakPolarHBondContact O-CB 3.41Å; F533-H537 PolarHBondContact O-N 2.66Å; F533-H537 VanDerWaalsContact O-N 3.08Å; F533-L539 HydrophobicContact CD1-CD1 3.4Å; F533-L539 HydrophobicContact CE1-CD1 3.49Å; F533-L539 VanDerWaalsContact CE1-CD1 3.49Å; F533-L539 HydrophobicContact CG-CD1 4.48Å; F533-Y542 AromaticContact CD1-CE1 3.93Å; F533-Y542 HydrophobicContact CD1-CE1 3.93Å; F533-Y542 HydrophobicContact CE1-CE1 4.34Å
534A90.4Very high87.2Confident3 Ų332.2 Ų32.23%0.02517%0.173CC..Hα-helixtrans-61.3-40.2176.100000112.2V349 M530 S531 H538 L539 Y542V349-A534 HydrophobicContact CB-CB 4.47Å; V349-A534 HydrophobicContact CG1-CB 3.69Å; V349-A534 HydrophobicContact CG2-CB 3.87Å; M530-A534 WeakPolarHBondContact O-CB 3.21Å; M530-A534 PolarHBondContact O-N 2.82Å; S531-A534 PolarHBondContact O-N 2.9Å; A534-H538 CarbonylContact O-C 3.6Å; A534-H538 VanDerWaalsContact O-CA 3.31Å; A534-H538 WeakPolarHBondContact O-CA 3.35Å; A534-H538 PolarHBondContact O-N 2.76Å; A534-L539 HydrophobicContact CB-CB 4.23Å; A534-L539 HydrophobicContact CB-CD1 4.43Å; A534-L539 PolarHBondContact O-N 3.47Å; A534-Y542 HydrophobicContact CB-CE2 4.11Å; A534-Y542 PolarHBondContact N-OH 3.47Å
535K85.6Confident87.4Confident59 Ų5931.9 Ų31.926%0.25717%0.171SC..Hα-helixtrans-69.6-46.7177.8-176.7178.1175.2-177.50112.3F95 D99 S531 D532 F533 H537 H538F95-K535 HydrophobicContact CE2-CG 4.3Å; D99-K535 IonicContact OD1-NZ 3.89Å; D99-K535 PolarHBondContact OD1-NZ 3.27Å; S531-K535 WeakPolarHBondContact O-CB 3.47Å; S531-K535 PolarHBondContact O-N 2.87Å; D532-K535 PolarHBondContact O-N 2.85Å; F533-K535 VanDerWaalsContact C-N 3.3Å; F533-K535 PolarHBondContact O-N 2.78Å; K535-H537 VanDerWaalsContact C-N 3.25Å; K535-H537 PolarHBondContact O-N 3.09Å; K535-H538 PolarHBondContact O-ND1 3.37Å
536E86.8Confident87.9Confident105 Ų10527.9 Ų27.949%0.49115%0.15SC..Hα-helixtrans-61.8-35.1-179.5-172.9179.814500111.9F418 D532 F533F418-E536 VanDerWaalsContact CD2-OE2 3.31Å; F418-E536 WeakPolarHBondContact CD2-OE2 3.3Å; F418-E536 VanDerWaalsContact CE2-OE2 3.23Å; F418-E536 WeakPolarHBondContact CE2-OE2 3.26Å; D532-E536 WeakPolarHBondContact O-CB 3.22Å; D532-E536 PolarHBondContact O-N 3.01Å; F533-E536 PolarHBondContact O-N 3.43Å
537H89.5Confident88.5Confident6 Ų624.6 Ų24.63%0.02813%0.132CC..THydrogen-bonded Turntrans-111.29.2-174.3-59.9-37.2000114.7I398 L420 F533 K535 L539I398-H537 HydrophobicContact CD1-CB 3.79Å; L420-H537 VanDerWaalsContact CD1-CE1 3.44Å; L420-H537 WeakPolarHBondContact CD1-CE1 3.5Å; L420-H537 WeakPolarHBondContact CD1-NE2 3.46Å; F533-H537 AromaticContact CD2-CD2 3.38Å; F533-H537 WeakPolarHBondContact CD2-CD2 3.26Å; F533-H537 AromaticContact CD2-NE2 3.68Å; F533-H537 AromaticContact CE2-CD2 3.23Å; F533-H537 WeakPolarHBondContact CE2-CD2 3.15Å; F533-H537 AromaticContact CE2-NE2 3.5Å; F533-H537 WeakPolarHBondContact CE2-NE2 3.47Å; F533-H537 AromaticContact CZ-CD2 3.76Å; F533-H537 WeakPolarHBondContact O-CB 3.41Å; F533-H537 PolarHBondContact O-N 2.66Å; F533-H537 VanDerWaalsContact O-N 3.08Å; K535-H537 VanDerWaalsContact C-N 3.25Å; K535-H537 PolarHBondContact O-N 3.09Å; H537-L539 VanDerWaalsContact C-N 3.25Å; H537-L539 HydrophobicContact CB-CD2 3.9Å; H537-L539 HydrophobicContact CB-CG 4.05Å; H537-L539 PolarHBondContact O-N 2.9Å
538H89.2Confident89.3Confident89 Ų8925.5 Ų25.541%0.41214%0.135SC..THydrogen-bonded Turntrans51.543.7178.4-52.7-52.8000113.1A534 K535A534-H538 CarbonylContact O-C 3.6Å; A534-H538 VanDerWaalsContact O-CA 3.31Å; A534-H538 WeakPolarHBondContact O-CA 3.35Å; A534-H538 PolarHBondContact O-N 2.76Å; K535-H538 PolarHBondContact O-ND1 3.37Å
539L92.8Very high90.1Very high0 Ų023.1 Ų23.10%012%0.116CC..EExtended strand (participates in β ladder)trans-72.4142.2-178.1-55.4-178.2000110.9V349 H351 I398 C516 F533 A534 H537 Y542V349-L539 HydrophobicContact CG2-CB 4.08Å; V349-L539 WeakPolarHBondContact CG2-O 3.39Å; H351-L539 PolarHBondContact NE2-O 3.5Å; I398-L539 HydrophobicContact CD1-CD2 4.42Å; C516-L539 HydrophobicContact CB-CD2 4.1Å; C516-L539 WeakPolarHBondContact O-CA 3.35Å; F533-L539 HydrophobicContact CD1-CD1 3.4Å; F533-L539 HydrophobicContact CE1-CD1 3.49Å; F533-L539 VanDerWaalsContact CE1-CD1 3.49Å; F533-L539 HydrophobicContact CG-CD1 4.48Å; A534-L539 HydrophobicContact CB-CB 4.23Å; A534-L539 HydrophobicContact CB-CD1 4.43Å; A534-L539 PolarHBondContact O-N 3.47Å; H537-L539 VanDerWaalsContact C-N 3.25Å; H537-L539 HydrophobicContact CB-CD2 3.9Å; H537-L539 HydrophobicContact CB-CG 4.05Å; H537-L539 PolarHBondContact O-N 2.9Å; L539-Y542 HydrophobicContact CD1-CE1 4.03Å
540L93.8Very high90.5Very high13 Ų1322 Ų227%0.06811%0.11CC..EExtended strand (participates in β ladder)trans-99.3-29.4171.1-61.4-170.3000112.4V349 K357 V365 R513 L514 C516V349-L540 PolarHBondContact N-O 2.96Å; K357-L540 HydrophobicContact CB-CD2 3.7Å; K357-L540 HydrophobicContact CD-CD2 4.3Å; K357-L540 HydrophobicContact CG-CD2 3.96Å; V365-L540 HydrophobicContact CG1-CB 3.96Å; V365-L540 HydrophobicContact CG1-CD1 4.48Å; R513-L540 HydrophobicContact CB-CD1 4.08Å; L514-L540 WeakPolarHBondContact O-CD1 3.5Å; C516-L540 PolarHBondContact O-N 3.42Å
541C94Very high90.8Very high0 Ų025 Ų250%012%0.124CC..EExtended strand (participates in β ladder)trans-144.7144.7-171.7-177.60000110.1G347 V365 M517 G518 I567G347-C541 CarbonylContact O-C 3.51Å; G347-C541 VanDerWaalsContact O-CA 3.22Å; G347-C541 WeakPolarHBondContact O-CA 3.22Å; G347-C541 PolarHBondContact O-SG 3.1Å; G347-C541 VanDerWaalsContact O-SG 3.4Å; V365-C541 HydrophobicContact CB-CB 3.94Å; V365-C541 HydrophobicContact CG1-CB 3.75Å; V365-C541 HydrophobicContact CG2-CB 4.14Å; M517-C541 CarbonylContact C-O 3.56Å; M517-C541 VanDerWaalsContact CA-O 3.23Å; M517-C541 WeakPolarHBondContact CA-O 3.36Å; M517-C541 HydrophobicContact CG-CB 4.2Å; G518-C541 PolarHBondContact N-O 2.8Å; C541-I567 HydrophobicContact CB-CD1 4.4Å
542Y94.7Very high91.4Very high4 Ų423.5 Ų23.52%0.01611%0.113CC..EExtended strand (participates in β ladder)trans-100.2149.6163.9-79.2-80.1000110.3G346 G347 V349 G518 V523 T524 M530 F533 A534 L539 M571G346-Y542 WeakPolarHBondContact CA-O 3.34Å; G347-Y542 PolarHBondContact N-O 2.89Å; G347-Y542 PolarHBondContact O-N 3.48Å; V349-Y542 HydrophobicContact CG2-CD2 3.84Å; V349-Y542 HydrophobicContact CG2-CE2 3.7Å; G518-Y542 CarbonylContact O-C 3.59Å; G518-Y542 VanDerWaalsContact O-CA 3.25Å; G518-Y542 WeakPolarHBondContact O-CA 3.1Å; V523-Y542 HydrophobicContact CG2-CE1 4.38Å; T524-Y542 HydrophobicContact CG2-CD1 4.2Å; T524-Y542 HydrophobicContact CG2-CE1 4.39Å; M530-Y542 HydrophobicContact CG-CD2 4.24Å; M530-Y542 HydrophobicContact CG-CE1 4.1Å; M530-Y542 HydrophobicContact CG-CE2 3.49Å; M530-Y542 VanDerWaalsContact CG-CE2 3.49Å; M530-Y542 VanDerWaalsContact CG-CZ 3.41Å; M530-Y542 WeakPolarHBondContact CG-OH 3.36Å; M530-Y542 PolarHBondContact O-OH 2.92Å; M530-Y542 HydrophobicContact SD-CD2 4.34Å; M530-Y542 HydrophobicContact SD-CE2 4.14Å; F533-Y542 AromaticContact CD1-CE1 3.93Å; F533-Y542 HydrophobicContact CD1-CE1 3.93Å; F533-Y542 HydrophobicContact CE1-CE1 4.34Å; A534-Y542 HydrophobicContact CB-CE2 4.11Å; A534-Y542 PolarHBondContact N-OH 3.47Å; L539-Y542 HydrophobicContact CD1-CE1 4.03Å; Y542-M571 WeakPolarHBondContact CB-O 3.47Å
543D90.5Very high91.9Very high0 Ų020.7 Ų20.70%010%0.098CC..  trans-131.1166.3-177.2-166.96.5000110.8Y397 G518 S519 E545 Y546 R565Y397-D543 HydrophobicContact CE2-CB 3.99Å; G518-D543 PolarHBondContact O-N 3.48Å; S519-D543 WeakPolarHBondContact CB-O 3.44Å; D543-E545 PolarHBondContact O-N 2.74Å; D543-Y546 VanDerWaalsContact OD1-CD2 3.3Å; D543-Y546 WeakPolarHBondContact OD1-CD2 3.48Å; D543-Y546 WeakPolarHBondContact OD1-CE2 3.5Å; D543-Y546 WeakPolarHBondContact OD2-CD2 3.4Å; D543-R565 VanDerWaalsContact CG-CZ 3.49Å; D543-R565 IonicContact OD1-CZ 3.38Å; D543-R565 VanDerWaalsContact OD1-CZ 3.28Å; D543-R565 IonicContact OD1-NE 3.85Å; D543-R565 PolarHBondContact OD1-NE 2.91Å; D543-R565 IonicContact OD1-NH1 3.75Å; D543-R565 IonicContact OD1-NH2 3.11Å; D543-R565 PolarHBondContact OD1-NH2 3.32Å; D543-R565 IonicContact OD2-CZ 3.81Å; D543-R565 IonicContact OD2-NE 2.65Å; D543-R565 PolarHBondContact OD2-NE 2.81Å; D543-R565 IonicContact OD2-NH2 3.3Å; D543-R565 PolarHBondContact OD2-NH2 3.4Å
544A85.4Confident92.1Very high6 Ų623.5 Ų23.55%0.0511%0.112CC..SBendtrans-75.127-173.600000114.8V313 Y546 R574V313-A544 HydrophobicContact CG2-CB 4.01Å; A544-Y546 HydrophobicContact CB-CE2 4.1Å; A544-R574 PolarHBondContact O-NH2 3.18Å
545E89.9Confident92.3Very high2 Ų226.6 Ų26.61%0.00914%0.144CC..  trans65.575.4-177.2-52.8-176.7156.500114.7G314 R315 Y399 R521 D543G314-E545 WeakPolarHBondContact CA-OE2 3.21Å; R315-E545 WeakPolarHBondContact CA-OE2 3.41Å; R315-E545 PolarHBondContact N-OE2 3.42Å; R315-E545 VanDerWaalsContact N-OE2 3.14Å; Y399-E545 HydrophobicContact CE2-CB 4.34Å; Y399-E545 HydrophobicContact CE2-CG 4.21Å; R521-E545 PolarHBondContact N-OE1 2.92Å; D543-E545 PolarHBondContact O-N 2.74Å
546Y92Very high92.6Very high0 Ų026.7 Ų26.70%015%0.148CC..  trans-92.213.2175.8-80.4-100.2000114N265 L310 L342 Y397 D543 A544 Q548 V549 L550 R565N265-Y546 WeakPolarHBondContact CB-OH 3.37Å; L310-Y546 HydrophobicContact CD1-CE1 4.28Å; L342-Y546 HydrophobicContact CD2-CD1 3.58Å; L342-Y546 HydrophobicContact CD2-CE1 4.23Å; L342-Y546 HydrophobicContact CD2-CG 4.25Å; Y397-Y546 PolarHBondContact OH-N 3.42Å; D543-Y546 VanDerWaalsContact OD1-CD2 3.3Å; D543-Y546 WeakPolarHBondContact OD1-CD2 3.48Å; D543-Y546 WeakPolarHBondContact OD1-CE2 3.5Å; D543-Y546 WeakPolarHBondContact OD2-CD2 3.4Å; A544-Y546 HydrophobicContact CB-CE2 4.1Å; Y546-Q548 VanDerWaalsContact C-N 3.3Å; Y546-Q548 PolarHBondContact O-N 3Å; Y546-V549 HydrophobicContact CD1-CB 3.98Å; Y546-V549 HydrophobicContact CD1-CG1 4.18Å; Y546-V549 HydrophobicContact CD1-CG2 3.81Å; Y546-V549 WeakPolarHBondContact O-CB 3.2Å; Y546-V549 PolarHBondContact O-N 3.07Å; Y546-V549 VanDerWaalsContact O-N 3.08Å; Y546-L550 WeakPolarHBondContact O-CG 3.28Å; Y546-L550 PolarHBondContact O-N 3.3Å; Y546-R565 PolarHBondContact OH-NH1 2.81Å
547D93.1Very high92.9Very high1 Ų124.5 Ų24.51%0.00515%0.153CC..Hα-helixtrans-53.4-46.9-178.565.3-61.1000111.8Y399 R421 Y423 V549 L550 E551Y399-D547 HydrophobicContact CD1-CB 4.27Å; Y399-D547 HydrophobicContact CD2-CB 3.59Å; Y399-D547 HydrophobicContact CE2-CB 4.2Å; Y399-D547 HydrophobicContact CG-CB 3.66Å; R421-D547 IonicContact CZ-OD2 3.19Å; R421-D547 IonicContact NH1-OD2 2.77Å; R421-D547 IonicContact NH2-OD2 2.74Å; R421-D547 PolarHBondContact NH2-OD2 2.83Å; Y423-D547 HydrophobicContact CE2-CB 4.23Å; Y423-D547 WeakPolarHBondContact OH-CB 3.07Å; D547-V549 VanDerWaalsContact C-N 3.32Å; D547-V549 PolarHBondContact O-N 3.21Å; D547-L550 PolarHBondContact O-N 3.27Å; D547-E551 VanDerWaalsContact O-CG 3.32Å; D547-E551 WeakPolarHBondContact O-CG 3.49Å; D547-E551 PolarHBondContact O-N 2.78Å
548Q93.4Very high93.1Very high61 Ų6125.3 Ų25.329%0.28516%0.158SC..Hα-helixtrans-72.6-26.7-178.4-161.359.854.900113.2K320 Y546 S552K320-Q548 HydrophobicContact CB-CG 4.47Å; K320-Q548 VanDerWaalsContact O-CG 3.3Å; K320-Q548 WeakPolarHBondContact O-CG 3.37Å; Y546-Q548 VanDerWaalsContact C-N 3.3Å; Y546-Q548 PolarHBondContact O-N 3Å; Q548-S552 WeakPolarHBondContact O-CB 3.3Å; Q548-S552 PolarHBondContact O-N 3.33Å; Q548-S552 VanDerWaalsContact O-N 3.15Å; Q548-S552 PolarHBondContact O-OG 3.44Å
549V95.6Very high93.3Very high0 Ų024 Ų240%015%0.154CC..Hα-helixtrans-68.4-46.7172.3-179.50000109I263 L310 T327 L342 Y546 D547 S552 V553I263-V549 HydrophobicContact CD1-CG1 3.96Å; I263-V549 HydrophobicContact CG2-CG1 4.3Å; L310-V549 HydrophobicContact CD1-CG2 3.54Å; T327-V549 HydrophobicContact CG2-CG1 4Å; L342-V549 HydrophobicContact CD2-CB 4.29Å; L342-V549 HydrophobicContact CD2-CG1 3.63Å; Y546-V549 HydrophobicContact CD1-CB 3.98Å; Y546-V549 HydrophobicContact CD1-CG1 4.18Å; Y546-V549 HydrophobicContact CD1-CG2 3.81Å; Y546-V549 WeakPolarHBondContact O-CB 3.2Å; Y546-V549 PolarHBondContact O-N 3.07Å; Y546-V549 VanDerWaalsContact O-N 3.08Å; D547-V549 VanDerWaalsContact C-N 3.32Å; D547-V549 PolarHBondContact O-N 3.21Å; V549-S552 WeakPolarHBondContact O-CB 3.39Å; V549-S552 PolarHBondContact O-N 3.35Å; V549-S552 VanDerWaalsContact O-N 3.09Å; V549-V553 WeakPolarHBondContact O-CG2 3.41Å; V549-V553 PolarHBondContact O-N 3.03Å
550L95.6Very high93.4Very high0 Ų024.2 Ų24.20%016%0.155CC..Hα-helixtrans-62.1-44.5177.7-67.7171000112.1L342 Y397 Y423 Y546 D547 S552 V553 M554 F561 L563L342-L550 HydrophobicContact CD1-CD2 4.26Å; L342-L550 HydrophobicContact CD2-CD2 4.13Å; Y397-L550 HydrophobicContact CD1-CD1 3.58Å; Y397-L550 HydrophobicContact CD2-CD1 4.07Å; Y397-L550 HydrophobicContact CE1-CD1 4.07Å; Y397-L550 HydrophobicContact CE2-CD1 4.49Å; Y397-L550 HydrophobicContact CG-CD1 3.57Å; Y423-L550 HydrophobicContact CD1-CB 3.8Å; Y423-L550 HydrophobicContact CD1-CD1 4.36Å; Y423-L550 HydrophobicContact CD2-CD1 3.95Å; Y423-L550 HydrophobicContact CE1-CB 4.06Å; Y423-L550 HydrophobicContact CE2-CD1 4.48Å; Y423-L550 HydrophobicContact CG-CB 4.17Å; Y423-L550 HydrophobicContact CG-CD1 3.87Å; Y546-L550 WeakPolarHBondContact O-CG 3.28Å; Y546-L550 PolarHBondContact O-N 3.3Å; D547-L550 PolarHBondContact O-N 3.27Å; L550-S552 PolarHBondContact O-N 3.38Å; L550-V553 PolarHBondContact O-N 2.77Å; L550-M554 WeakPolarHBondContact O-CB 3.44Å; L550-M554 WeakPolarHBondContact O-CG 3.46Å; L550-M554 PolarHBondContact O-N 2.74Å; L550-F561 HydrophobicContact CD2-CD2 3.77Å; L550-F561 HydrophobicContact CD2-CE2 3.62Å; L550-F561 HydrophobicContact CD2-CZ 4.48Å; L550-L563 HydrophobicContact CD2-CD1 4.21Å
551E95.1Very high93.6Very high76 Ų7623.8 Ų23.836%0.35515%0.153SC..Hα-helixtrans-55.8-39.3172.2-70.6-71.6178.100111.7R421 Y423 D547 G555R421-E551 IonicContact NH1-OE1 3.32Å; Y423-E551 HydrophobicContact CE1-CG 3.92Å; Y423-E551 WeakPolarHBondContact CE1-OE1 3.38Å; Y423-E551 PolarHBondContact OH-OE1 3.13Å; D547-E551 VanDerWaalsContact O-CG 3.32Å; D547-E551 WeakPolarHBondContact O-CG 3.49Å; D547-E551 PolarHBondContact O-N 2.78Å; E551-G555 WeakPolarHBondContact O-CA 3.25Å; E551-G555 PolarHBondContact O-N 3.46Å
552S95.2Very high93.7Very high9 Ų923.9 Ų23.96%0.06315%0.153CC..Hα-helixtrans-72.2-38.8178.7-56.80000112.2G324 T328 Q548 V549 L550 N556G324-S552 VanDerWaalsContact CA-OG 3.23Å; G324-S552 WeakPolarHBondContact CA-OG 3.42Å; G324-S552 PolarHBondContact O-OG 3.43Å; T328-S552 PolarHBondContact OG1-OG 3.01Å; Q548-S552 WeakPolarHBondContact O-CB 3.3Å; Q548-S552 PolarHBondContact O-N 3.33Å; Q548-S552 VanDerWaalsContact O-N 3.15Å; Q548-S552 PolarHBondContact O-OG 3.44Å; V549-S552 WeakPolarHBondContact O-CB 3.39Å; V549-S552 PolarHBondContact O-N 3.35Å; V549-S552 VanDerWaalsContact O-N 3.09Å; L550-S552 PolarHBondContact O-N 3.38Å; S552-N556 PolarHBondContact O-N 2.83Å; S552-N556 PolarHBondContact O-ND2 3.18Å
553V96.7Very high93.9Very high0 Ų023.7 Ų23.70%015%0.152CC..Hα-helixtrans-61.5-53.7174.9171.80000110.1T327 L331 V340 V549 L550 G555 N556 L558 F561T327-V553 HydrophobicContact CG2-CG2 3.97Å; L331-V553 HydrophobicContact CD1-CB 4.4Å; L331-V553 HydrophobicContact CD1-CG2 4.05Å; V340-V553 HydrophobicContact CB-CG1 4.25Å; V340-V553 HydrophobicContact CB-CG2 4.47Å; V340-V553 HydrophobicContact CG1-CG2 3.96Å; V340-V553 HydrophobicContact CG2-CG1 4.04Å; V340-V553 HydrophobicContact CG2-CG2 4.45Å; V549-V553 WeakPolarHBondContact O-CG2 3.41Å; V549-V553 PolarHBondContact O-N 3.03Å; L550-V553 PolarHBondContact O-N 2.77Å; V553-G555 PolarHBondContact O-N 2.84Å; V553-N556 PolarHBondContact O-N 2.66Å; V553-L558 HydrophobicContact CG1-CB 3.9Å; V553-L558 PolarHBondContact O-N 2.64Å; V553-F561 HydrophobicContact CG1-CB 4.04Å; V553-F561 HydrophobicContact CG1-CD1 3.92Å; V553-F561 HydrophobicContact CG1-CG 4.1Å
554M94.8Very high94.3Very high59 Ų5923.7 Ų23.729%0.29115%0.152SC..Hα-helixtrans-66.3-38-179.3-64.9175.870.200111.9Y423 L550 N556 G557 F561Y423-M554 HydrophobicContact CD1-SD 3.79Å; L550-M554 WeakPolarHBondContact O-CB 3.44Å; L550-M554 WeakPolarHBondContact O-CG 3.46Å; L550-M554 PolarHBondContact O-N 2.74Å; M554-N556 PolarHBondContact O-N 3.15Å; M554-G557 PolarHBondContact O-N 2.9Å; M554-F561 HydrophobicContact CG-CE1 3.88Å; M554-F561 HydrophobicContact CG-CZ 4.21Å; M554-F561 HydrophobicContact SD-CE1 4.39Å; M554-F561 HydrophobicContact SD-CZ 4.18Å
555G94.1Very high94.9Very high68 Ų6823.4 Ų23.470%0.70115%0.15SC*.Hα-helixtrans-64.7-21.6175.900000114.1E551 V553 G557E551-G555 WeakPolarHBondContact O-CA 3.25Å; E551-G555 PolarHBondContact O-N 3.46Å; V553-G555 PolarHBondContact O-N 2.84Å; G555-G557 VanDerWaalsContact C-N 3.28Å
556N93.3Very high95.3Very high61 Ų6123.3 Ų23.333%0.32615%0.15SC..THydrogen-bonded Turntrans-88.18.8170.8-80.3-91.9000113L331 S552 V553 M554 L558L331-N556 HydrophobicContact CB-CB 4.13Å; L331-N556 HydrophobicContact CD1-CB 4.18Å; S552-N556 PolarHBondContact O-N 2.83Å; S552-N556 PolarHBondContact O-ND2 3.18Å; V553-N556 PolarHBondContact O-N 2.66Å; M554-N556 PolarHBondContact O-N 3.15Å; N556-L558 VanDerWaalsContact C-N 3.33Å
557G92.3Very high95.5Very high59 Ų5923.3 Ų23.361%0.60815%0.15SC*.THydrogen-bonded Turntrans75.319177.600000114.3M554 G555M554-G557 PolarHBondContact O-N 2.9Å; G555-G557 VanDerWaalsContact C-N 3.28Å
558L94.3Very high95.7Very high23 Ų2323.3 Ų23.312%0.1215%0.15CC..  trans-93.5109.9177.7-63.7173.5000110.3L331 V337 V340 V553 N556L331-L558 HydrophobicContact CB-CD1 4.46Å; L331-L558 HydrophobicContact CD1-CD1 3.68Å; L331-L558 HydrophobicContact CD2-CD1 3.67Å; L331-L558 HydrophobicContact CG-CD1 4.12Å; V337-L558 HydrophobicContact CG1-CD1 4.17Å; V337-L558 VanDerWaalsContact O-CD2 3.25Å; V337-L558 WeakPolarHBondContact O-CD2 3.44Å; V340-L558 HydrophobicContact CG2-CD1 3.61Å; V553-L558 HydrophobicContact CG1-CB 3.9Å; V553-L558 PolarHBondContact O-N 2.64Å; N556-L558 VanDerWaalsContact C-N 3.33Å
559D92.7Very high95.6Very high63 Ų6320.9 Ų20.934%0.33714%0.139SC..  trans-96.5-7.6179.9-78.4-35.4000113.5R426 D427R426-D559 HydrophobicContact CB-CB 4.17Å; R426-D559 PolarHBondContact N-O 3.32Å; D427-D559 HydrophobicContact CB-CB 4.5Å; D427-D559 PolarHBondContact N-O 2.68Å
560S95.5Very high95.3Very high3 Ų321.9 Ų21.92%0.02114%0.143CC..EExtended strand (participates in β ladder)trans-103.990.8177.5176.60000111.1Q338 H339 V340 L430Q338-S560 WeakPolarHBondContact O-CB 3.35Å; H339-S560 WeakPolarHBondContact CA-O 3.25Å; H339-S560 PolarHBondContact ND1-OG 3.4Å; V340-S560 PolarHBondContact N-O 3.33Å; L430-S560 WeakPolarHBondContact CG-OG 3.45Å
561F96.9Very high94.8Very high4 Ų423.2 Ų23.22%0.01815%0.15CC..EExtended strand (participates in β ladder)trans-139.7155.1174.762-88.9000112.4V340 L342 I396 A424 A425 L550 V553 M554V340-F561 HydrophobicContact CB-CB 4Å; V340-F561 CarbonylContact O-C 3.56Å; V340-F561 WeakPolarHBondContact O-CA 3.35Å; V340-F561 WeakPolarHBondContact O-CB 3.23Å; L342-F561 HydrophobicContact CD1-CB 4.42Å; I396-F561 HydrophobicContact CD1-CD2 4.29Å; I396-F561 HydrophobicContact CD1-CE2 3.81Å; A424-F561 WeakPolarHBondContact O-CZ 3.01Å; A425-F561 HydrophobicContact CB-CD1 4.36Å; A425-F561 HydrophobicContact CB-CD2 4.48Å; A425-F561 HydrophobicContact CB-CE1 4.16Å; A425-F561 HydrophobicContact CB-CE2 4.3Å; A425-F561 HydrophobicContact CB-CZ 4.13Å; A425-F561 WeakPolarHBondContact CB-O 3.47Å; L550-F561 HydrophobicContact CD2-CD2 3.77Å; L550-F561 HydrophobicContact CD2-CE2 3.62Å; L550-F561 HydrophobicContact CD2-CZ 4.48Å; V553-F561 HydrophobicContact CG1-CB 4.04Å; V553-F561 HydrophobicContact CG1-CD1 3.92Å; V553-F561 HydrophobicContact CG1-CG 4.1Å; M554-F561 HydrophobicContact CG-CE1 3.88Å; M554-F561 HydrophobicContact CG-CZ 4.21Å; M554-F561 HydrophobicContact SD-CE1 4.39Å; M554-F561 HydrophobicContact SD-CZ 4.18Å
562I97.5Very high94.2Very high2 Ų219.9 Ų19.91%0.0113%0.134CC..EExtended strand (participates in β ladder)trans-147143.2178.3-159.3167.5000110.4V340 F341 L342 V366 L430 V434 I564V340-I562 PolarHBondContact O-N 2.97Å; F341-I562 CarbonylContact C-O 3.13Å; F341-I562 WeakPolarHBondContact CA-O 3.42Å; F341-I562 HydrophobicContact CD1-CG2 3.39Å; F341-I562 HydrophobicContact CE1-CG2 3.59Å; F341-I562 HydrophobicContact CG-CG2 4.1Å; F341-I562 HydrophobicContact CZ-CG2 4.42Å; L342-I562 PolarHBondContact N-O 2.82Å; V366-I562 HydrophobicContact CG1-CD1 3.48Å; V366-I562 VanDerWaalsContact CG1-CD1 3.48Å; V366-I562 HydrophobicContact CG1-CG1 3.87Å; L430-I562 HydrophobicContact CB-CB 4.29Å; L430-I562 HydrophobicContact CB-CD1 4.29Å; L430-I562 HydrophobicContact CB-CG2 4.41Å; L430-I562 HydrophobicContact CD1-CB 3.87Å; L430-I562 HydrophobicContact CD1-CG2 3.73Å; V434-I562 HydrophobicContact CG2-CD1 3.65Å; I562-I564 HydrophobicContact CG2-CD1 4.37Å; I562-I564 HydrophobicContact CG2-CG1 4.38Å
563L98Very high93.5Very high0 Ų019.5 Ų19.50%013%0.131CC..EExtended strand (participates in β ladder)trans-103.7135.7172.6-51.784.2000109.5L342 V366 S367 I396 Y397 M517 L550L342-L563 HydrophobicContact CB-CB 4.31Å; L342-L563 HydrophobicContact CB-CD2 4.41Å; L342-L563 HydrophobicContact CB-CG 3.96Å; L342-L563 HydrophobicContact CD1-CG 4.15Å; L342-L563 HydrophobicContact CD2-CD2 4.38Å; L342-L563 HydrophobicContact CD2-CG 4.4Å; L342-L563 HydrophobicContact CG-CG 4.4Å; L342-L563 CarbonylContact O-C 3.52Å; L342-L563 VanDerWaalsContact O-CA 3.29Å; L342-L563 WeakPolarHBondContact O-CA 3.3Å; V366-L563 WeakPolarHBondContact CA-O 3.41Å; S367-L563 PolarHBondContact N-O 2.81Å; S367-L563 VanDerWaalsContact OG-CD1 3.26Å; S367-L563 WeakPolarHBondContact OG-CD1 3.47Å; S367-L563 PolarHBondContact OG-N 2.96Å; S367-L563 PolarHBondContact OG-O 3.19Å; I396-L563 HydrophobicContact CD1-CD1 4.27Å; Y397-L563 HydrophobicContact CD2-CD2 3.51Å; Y397-L563 HydrophobicContact CE2-CD2 3.76Å; M517-L563 HydrophobicContact CE-CB 4.1Å; M517-L563 HydrophobicContact SD-CB 3.72Å; M517-L563 HydrophobicContact SD-CD2 4.18Å; L550-L563 HydrophobicContact CD2-CD1 4.21Å
564I98.5Very high92.7Very high0 Ų023.7 Ų23.70%015%0.147CC..EExtended strand (participates in β ladder)trans-130.9115.3179-54.9172.4000107.5F341 L342 V343 G344 I364 V366 I562 A587 F590 M591 I594F341-I564 HydrophobicContact CD1-CD1 3.89Å; F341-I564 HydrophobicContact CE1-CD1 4.28Å; L342-I564 PolarHBondContact O-N 2.9Å; V343-I564 WeakPolarHBondContact CA-O 3.41Å; V343-I564 HydrophobicContact CG2-CB 4.45Å; G344-I564 PolarHBondContact N-O 2.94Å; I364-I564 HydrophobicContact CG2-CG2 3.66Å; V366-I564 HydrophobicContact CG1-CG1 4.36Å; V366-I564 HydrophobicContact CG2-CG2 4.39Å; I562-I564 HydrophobicContact CG2-CD1 4.37Å; I562-I564 HydrophobicContact CG2-CG1 4.38Å; I564-A587 HydrophobicContact CG2-CB 4Å; I564-F590 HydrophobicContact CG2-CD1 4.33Å; I564-M591 HydrophobicContact CD1-CB 3.76Å; I564-M591 HydrophobicContact CD1-CG 4.29Å; I564-I594 HydrophobicContact CD1-CD1 3.52Å; I564-I594 HydrophobicContact CG1-CD1 4.49Å
565R98Very high91.6Very high0 Ų026.3 Ų26.30%016%0.159CC..EExtended strand (participates in β ladder)trans-117.8119.6-175.3-60.3-60.7173.8-162-1.9110.7G344 V345 I364 V365 M517 D543 Y546G344-R565 CarbonylContact O-C 3.48Å; G344-R565 VanDerWaalsContact O-CA 3.29Å; G344-R565 WeakPolarHBondContact O-CA 3.43Å; V345-R565 WeakPolarHBondContact O-CD 3.26Å; I364-R565 CarbonylContact C-O 3.56Å; I364-R565 WeakPolarHBondContact CA-O 3.38Å; V365-R565 PolarHBondContact N-O 2.98Å; V365-R565 PolarHBondContact O-N 3.13Å; M517-R565 HydrophobicContact CE-CB 4.07Å; M517-R565 HydrophobicContact CE-CG 3.61Å; M517-R565 HydrophobicContact SD-CG 3.65Å; D543-R565 VanDerWaalsContact CG-CZ 3.49Å; D543-R565 IonicContact OD1-CZ 3.38Å; D543-R565 VanDerWaalsContact OD1-CZ 3.28Å; D543-R565 IonicContact OD1-NE 3.85Å; D543-R565 PolarHBondContact OD1-NE 2.91Å; D543-R565 IonicContact OD1-NH1 3.75Å; D543-R565 IonicContact OD1-NH2 3.11Å; D543-R565 PolarHBondContact OD1-NH2 3.32Å; D543-R565 IonicContact OD2-CZ 3.81Å; D543-R565 IonicContact OD2-NE 2.65Å; D543-R565 PolarHBondContact OD2-NE 2.81Å; D543-R565 IonicContact OD2-NH2 3.3Å; D543-R565 PolarHBondContact OD2-NH2 3.4Å; Y546-R565 PolarHBondContact OH-NH1 2.81Å
566G98.3Very high90.6Very high0 Ų025.7 Ų25.70%015%0.153CC..EExtended strand (participates in β ladder)trans-78.2132163.900000109G344 V345 G346 D363 A568 A583G344-G566 PolarHBondContact O-N 2.79Å; V345-G566 CarbonylContact C-O 3.6Å; V345-G566 WeakPolarHBondContact CA-O 3.49Å; G346-G566 PolarHBondContact N-O 2.91Å; D363-G566 CarbonylContact O-C 3.54Å; D363-G566 WeakPolarHBondContact O-CA 3.36Å; G566-A568 PolarHBondContact O-N 2.79Å; G566-A583 WeakPolarHBondContact CA-O 3.35Å
567I97.4Very high90Very high0 Ų026.2 Ų26.20%016%0.158CC..EExtended strand (participates in β ladder)trans-76.8116.7-177.4-59.2-49.7000109.8G346 R360 L361 G362 D363 V365 C541 D569 A583G346-I567 WeakPolarHBondContact O-CA 3.23Å; R360-I567 WeakPolarHBondContact O-CB 3.42Å; L361-I567 HydrophobicContact CD2-CG2 3.72Å; G362-I567 PolarHBondContact N-O 2.78Å; D363-I567 HydrophobicContact CB-CG1 4.47Å; D363-I567 PolarHBondContact O-N 2.87Å; V365-I567 HydrophobicContact CB-CD1 4.38Å; V365-I567 HydrophobicContact CG2-CD1 3.79Å; V365-I567 HydrophobicContact CG2-CG1 4.19Å; C541-I567 HydrophobicContact CB-CD1 4.4Å; I567-D569 WeakPolarHBondContact CG2-O 3.08Å; I567-A583 WeakPolarHBondContact O-CB 3.45Å
568A95.6Very high89.9Confident2 Ų228.4 Ų28.42%0.01715%0.153CC..EExtended strand (participates in β ladder)trans-109.2-21.4179.400000113.3V345 G346 G566 W579 Q580 A583V345-A568 HydrophobicContact CB-CB 3.88Å; V345-A568 HydrophobicContact CG1-CB 4.2Å; V345-A568 HydrophobicContact CG2-CB 4.4Å; G346-A568 PolarHBondContact O-N 3.48Å; G566-A568 PolarHBondContact O-N 2.79Å; A568-W579 HydrophobicContact CB-CB 4.4Å; A568-W579 WeakPolarHBondContact O-CB 3.39Å; A568-Q580 HydrophobicContact CB-CB 4.41Å; A568-Q580 HydrophobicContact CB-CG 3.8Å; A568-A583 HydrophobicContact CB-CB 4.07Å
569D92.1Very high90Very high9 Ų927.8 Ų27.85%0.04815%0.148CC..EExtended strand (participates in β ladder)trans-151.5-171.2175.46826000111.6G347 S348 I567 M571 E572 G573 R574 Q575G347-D569 CarbonylContact C-O 3.57Å; G347-D569 VanDerWaalsContact CA-O 3.28Å; G347-D569 WeakPolarHBondContact CA-O 3.49Å; G347-D569 WeakPolarHBondContact CA-OD1 3.14Å; S348-D569 PolarHBondContact N-O 2.65Å; I567-D569 WeakPolarHBondContact CG2-O 3.08Å; D569-M571 VanDerWaalsContact OD1-C 3.26Å; D569-M571 WeakPolarHBondContact OD1-CA 3.39Å; D569-M571 PolarHBondContact OD1-N 2.87Å; D569-E572 PolarHBondContact OD1-N 3.47Å; D569-E572 VanDerWaalsContact OD1-N 3.14Å; D569-G573 VanDerWaalsContact CG-CA 3.48Å; D569-G573 WeakPolarHBondContact OD1-CA 3.24Å; D569-G573 PolarHBondContact OD1-N 3.03Å; D569-G573 VanDerWaalsContact OD2-C 3.28Å; D569-G573 VanDerWaalsContact OD2-CA 3.24Å; D569-G573 WeakPolarHBondContact OD2-CA 3.44Å; D569-G573 PolarHBondContact OD2-N 3.15Å; D569-R574 PolarHBondContact OD2-N 3.08Å; D569-Q575 HydrophobicContact CB-CB 4.23Å; D569-Q575 WeakPolarHBondContact CB-O 3.48Å; D569-Q575 WeakPolarHBondContact OD2-CB 3.42Å; D569-Q575 PolarHBondContact OD2-N 2.82Å
570Y89.6Confident90.1Very high21 Ų2125.8 Ų25.88%0.08214%0.137CC..SBendtrans-108.726.3173.3-62.9-68.7000112.6S348 L361 D478 K479 L480 H494S348-Y570 CarbonylContact O-C 3.53Å; S348-Y570 WeakPolarHBondContact O-CA 3.28Å; L361-Y570 HydrophobicContact CD1-CE2 4.29Å; L361-Y570 HydrophobicContact CD2-CD2 4.21Å; L361-Y570 HydrophobicContact CD2-CE1 4.25Å; L361-Y570 HydrophobicContact CD2-CE2 3.7Å; L361-Y570 HydrophobicContact CG-CE2 3.83Å; L361-Y570 PolarHBondContact N-OH 3.02Å; D478-Y570 PolarHBondContact OD1-OH 2.92Å; K479-Y570 WeakPolarHBondContact O-CE2 3.49Å; L480-Y570 HydrophobicContact CB-CE2 4.43Å; L480-Y570 HydrophobicContact CD1-CD1 3.39Å; L480-Y570 HydrophobicContact CD1-CD2 3.95Å; L480-Y570 HydrophobicContact CD1-CE1 3.5Å; L480-Y570 VanDerWaalsContact CD1-CE1 3.5Å; L480-Y570 HydrophobicContact CD1-CE2 4.03Å; L480-Y570 HydrophobicContact CD1-CG 3.66Å; H494-Y570 AromaticContact CE1-CZ 3.76Å; H494-Y570 PolarHBondContact CE1-OH 3.44Å
571M84.3Confident90.1Very high29 Ų2926.3 Ų26.314%0.14314%0.141CC..SBendtrans-130.4-102-177.9-60.3-64.5-56.300109.9M530 Y542 D569 Q575M530-M571 HydrophobicContact CE-CE 3.71Å; M530-M571 HydrophobicContact CE-SD 3.69Å; M530-M571 HydrophobicContact SD-CE 3.7Å; M530-M571 HydrophobicContact SD-SD 4.33Å; Y542-M571 WeakPolarHBondContact CB-O 3.47Å; D569-M571 VanDerWaalsContact OD1-C 3.26Å; D569-M571 WeakPolarHBondContact OD1-CA 3.39Å; D569-M571 PolarHBondContact OD1-N 2.87Å; M571-Q575 HydrophobicContact CB-CG 3.99Å; M571-Q575 HydrophobicContact CG-CG 4.09Å
572E82.4Confident90.1Very high6 Ų626.5 Ų26.53%0.02814%0.141CC..SBendtrans-121.99.5-176.1-67171.1107.900113.6R315 T524 D569 R574R315-E572 IonicContact CZ-OE2 3.15Å; R315-E572 IonicContact NH2-OE1 3.67Å; R315-E572 PolarHBondContact NH2-OE1 3.4Å; R315-E572 IonicContact NH2-OE2 3.55Å; R315-E572 PolarHBondContact NH2-OE2 3.45Å; T524-E572 WeakPolarHBondContact CB-OE1 3.22Å; T524-E572 HydrophobicContact CG2-CG 3.82Å; T524-E572 WeakPolarHBondContact CG2-OE1 3.34Å; T524-E572 PolarHBondContact OG1-OE1 3.38Å; D569-E572 PolarHBondContact OD1-N 3.47Å; D569-E572 VanDerWaalsContact OD1-N 3.14Å; E572-R574 VanDerWaalsContact C-N 3.33Å
573G81.6Confident90.1Very high1 Ų126.4 Ų26.41%0.0114%0.141CC..SBendtrans78.612.9-171.500000114.3V345 G346 D569 Q580V345-G573 VanDerWaalsContact CG2-O 3.24Å; V345-G573 WeakPolarHBondContact CG2-O 3.22Å; G346-G573 VanDerWaalsContact C-CA 3.43Å; G346-G573 WeakPolarHBondContact O-CA 3.36Å; D569-G573 VanDerWaalsContact CG-CA 3.48Å; D569-G573 WeakPolarHBondContact OD1-CA 3.24Å; D569-G573 PolarHBondContact OD1-N 3.03Å; D569-G573 VanDerWaalsContact OD2-C 3.28Å; D569-G573 VanDerWaalsContact OD2-CA 3.24Å; D569-G573 WeakPolarHBondContact OD2-CA 3.44Å; D569-G573 PolarHBondContact OD2-N 3.15Å; G573-Q580 PolarHBondContact O-NE2 3.38Å
574R78.8Confident90.1Very high88 Ų8826.4 Ų26.433%0.33214%0.141SC..  trans-113.9-6.5-175.2-61.2-175-176.2-145.94.3113.6V313 A544 D569 E572V313-R574 PolarHBondContact O-NH2 2.93Å; A544-R574 PolarHBondContact O-NH2 3.18Å; D569-R574 PolarHBondContact OD2-N 3.08Å; E572-R574 VanDerWaalsContact C-N 3.33Å
575Q72.9Confident90.1Very high113 Ų11326.4 Ų26.453%0.52814%0.141SC..SBendtrans-102.2130.3-177-59.3-64.3-19.700110.2D569 M571D569-Q575 HydrophobicContact CB-CB 4.23Å; D569-Q575 WeakPolarHBondContact CB-O 3.48Å; D569-Q575 WeakPolarHBondContact OD2-CB 3.42Å; D569-Q575 PolarHBondContact OD2-N 2.82Å; M571-Q575 HydrophobicContact CB-CG 3.99Å; M571-Q575 HydrophobicContact CG-CG 4.09Å
576G72.2Confident90.1Very high56 Ų5626.4 Ų26.458%0.57714%0.141SC*.  trans66.2100.2-178.600000111.9Q578G576-Q578 PolarHBondContact O-N 3.25Å
577T81.6Confident90.1Very high72 Ų7226.4 Ų26.444%0.44214%0.141SC..G310 helixtrans-75.4-11.8-173.1540000114M174 W579 Q580 P581M174-T577 HydrophobicContact CG-CG2 4.49Å; M174-T577 HydrophobicContact SD-CG2 3.64Å; T577-W579 PolarHBondContact O-N 2.9Å; T577-Q580 PolarHBondContact O-N 3.36Å; T577-P581 WeakPolarHBondContact O-CD 3.3Å
578Q90.2Very high90.2Very high105 Ų10526.4 Ų26.449%0.49114%0.141SC..G310 helixtrans-59.1-41.2-173.2-174.2-179.313.400113.4P473 G576P473-Q578 HydrophobicContact CB-CG 4.09Å; P473-Q578 HydrophobicContact CG-CG 3.96Å; G576-Q578 PolarHBondContact O-N 3.25Å
579W94.9Very high90.3Very high9 Ų926.3 Ų26.33%0.03414%0.14CC..G310 helixtrans-86.3-14.9-177.5-79.685000113.7L361 R472 P473 T477 D478 A568 T577 Y582 A583L361-W579 HydrophobicContact CB-CD2 3.45Å; L361-W579 VanDerWaalsContact CB-CD2 3.45Å; L361-W579 HydrophobicContact CB-CE3 3.48Å; L361-W579 VanDerWaalsContact CB-CE3 3.48Å; L361-W579 HydrophobicContact CB-CG 4.03Å; L361-W579 HydrophobicContact CB-CH2 3.97Å; L361-W579 HydrophobicContact CB-CZ2 3.97Å; L361-W579 HydrophobicContact CB-CZ3 3.74Å; L361-W579 HydrophobicContact CD1-CB 4.47Å; L361-W579 HydrophobicContact CD1-CD2 3.88Å; L361-W579 HydrophobicContact CD1-CG 3.71Å; L361-W579 HydrophobicContact CD1-CZ2 4.48Å; L361-W579 HydrophobicContact CG-CD2 4.3Å; L361-W579 HydrophobicContact CG-CG 4.46Å; L361-W579 WeakPolarHBondContact O-CZ3 3.05Å; R472-W579 HydrophobicContact CG-CZ3 4.41Å; P473-W579 HydrophobicContact CB-CD2 4.05Å; P473-W579 HydrophobicContact CB-CG 4.44Å; P473-W579 HydrophobicContact CB-CH2 4.47Å; P473-W579 HydrophobicContact CB-CZ2 3.86Å; P473-W579 HydrophobicContact CG-CD2 3.64Å; P473-W579 HydrophobicContact CG-CE3 4.05Å; P473-W579 HydrophobicContact CG-CG 3.86Å; P473-W579 HydrophobicContact CG-CZ2 4.31Å; T477-W579 WeakPolarHBondContact OG1-CZ2 3.33Å; T477-W579 PolarHBondContact OG1-NE1 2.95Å; D478-W579 HydrophobicContact CB-CH2 4.37Å; D478-W579 HydrophobicContact CB-CZ2 3.92Å; A568-W579 HydrophobicContact CB-CB 4.4Å; A568-W579 WeakPolarHBondContact O-CB 3.39Å; T577-W579 PolarHBondContact O-N 2.9Å; W579-Y582 HydrophobicContact CE3-CD1 4.19Å; W579-Y582 HydrophobicContact CZ3-CD1 4.15Å; W579-Y582 HydrophobicContact CZ3-CE1 4.45Å; W579-Y582 PolarHBondContact O-N 3.48Å; W579-A583 WeakPolarHBondContact O-CB 3.26Å; W579-A583 PolarHBondContact O-N 3.02Å
580Q95.7Very high90.6Very high21 Ų2125.9 Ų25.910%0.09814%0.138CC..Hα-helixtrans-58.5-45.9-173.7-68.3178-27.200113.4L266 V345 A568 G573 T577 A584L266-Q580 HydrophobicContact CD1-CG 4.5Å; V345-Q580 HydrophobicContact CG1-CB 4.23Å; V345-Q580 WeakPolarHBondContact CG1-O 3.44Å; V345-Q580 HydrophobicContact CG2-CG 4.33Å; A568-Q580 HydrophobicContact CB-CB 4.41Å; A568-Q580 HydrophobicContact CB-CG 3.8Å; G573-Q580 PolarHBondContact O-NE2 3.38Å; T577-Q580 PolarHBondContact O-N 3.36Å; Q580-A584 WeakPolarHBondContact O-CB 3.24Å; Q580-A584 PolarHBondContact O-N 2.69Å
581P95.6Very high91.1Very high15 Ų1524.9 Ų24.910%0.09713%0.134CC..Hα-helixtrans-62.2-50.9179.5-2536.8000112.8C268 I468 D469 F470 T577 A583 A584 L585C268-P581 HydrophobicContact CB-CB 4.39Å; C268-P581 HydrophobicContact CB-CG 4.35Å; I468-P581 HydrophobicContact CG2-CB 3.67Å; I468-P581 HydrophobicContact CG2-CG 3.53Å; D469-P581 WeakPolarHBondContact O-CB 3.42Å; D469-P581 WeakPolarHBondContact O-CG 2.97Å; F470-P581 HydrophobicContact CD1-CB 3.67Å; F470-P581 WeakPolarHBondContact CD1-O 3.48Å; F470-P581 HydrophobicContact CE1-CB 3.9Å; F470-P581 WeakPolarHBondContact CE1-O 3.49Å; F470-P581 HydrophobicContact CG-CB 4.12Å; T577-P581 WeakPolarHBondContact O-CD 3.3Å; P581-A583 PolarHBondContact O-N 3.41Å; P581-A584 WeakPolarHBondContact O-CB 3.37Å; P581-A584 PolarHBondContact O-N 3.29Å; P581-L585 PolarHBondContact O-N 2.93Å
582Y96.9Very high91.8Very high7 Ų725 Ų253%0.02713%0.134CC..Hα-helixtrans-59.7-46.7178.9177.5-95000111.6L454 L458 R472 W579 A584 L585 A586L454-Y582 HydrophobicContact CD2-CE2 4.08Å; L458-Y582 HydrophobicContact CD1-CE2 4.48Å; R472-Y582 VanDerWaalsContact CA-CD2 3.44Å; R472-Y582 HydrophobicContact CB-CD2 3.6Å; R472-Y582 HydrophobicContact CB-CE2 3.48Å; R472-Y582 VanDerWaalsContact CB-CE2 3.48Å; R472-Y582 HydrophobicContact CB-CG 4.21Å; R472-Y582 HydrophobicContact CG-CD1 4.18Å; R472-Y582 HydrophobicContact CG-CD2 3.98Å; R472-Y582 HydrophobicContact CG-CE1 3.94Å; R472-Y582 HydrophobicContact CG-CE2 3.7Å; R472-Y582 HydrophobicContact CG-CG 4.2Å; W579-Y582 HydrophobicContact CE3-CD1 4.19Å; W579-Y582 HydrophobicContact CZ3-CD1 4.15Å; W579-Y582 HydrophobicContact CZ3-CE1 4.45Å; W579-Y582 PolarHBondContact O-N 3.48Å; Y582-A584 PolarHBondContact O-N 3.3Å; Y582-L585 PolarHBondContact O-N 3.04Å; Y582-A586 PolarHBondContact O-N 3.01Å
583A97.8Very high92.5Very high0 Ų024.8 Ų24.80%013%0.133CC..Hα-helixtrans-60.7-45.2178.500000111.7V345 G566 I567 A568 W579 P581 L585 A586 A587V345-A583 HydrophobicContact CG1-CB 4.1Å; G566-A583 WeakPolarHBondContact CA-O 3.35Å; I567-A583 WeakPolarHBondContact O-CB 3.45Å; A568-A583 HydrophobicContact CB-CB 4.07Å; W579-A583 WeakPolarHBondContact O-CB 3.26Å; W579-A583 PolarHBondContact O-N 3.02Å; P581-A583 PolarHBondContact O-N 3.41Å; A583-L585 VanDerWaalsContact C-N 3.31Å; A583-L585 PolarHBondContact O-N 3.04Å; A583-A586 PolarHBondContact O-N 2.88Å; A583-A587 PolarHBondContact O-N 2.95Å
584A97.8Very high93.3Very high1 Ų124.7 Ų24.71%0.00813%0.132CC..Hα-helixtrans-59-41.5174.700000112.3E269 A272 V345 Q580 P581 Y582 A587 A588E269-A584 HydrophobicContact CB-CB 4.4Å; E269-A584 HydrophobicContact CG-CB 3.98Å; A272-A584 HydrophobicContact CB-CB 4.09Å; V345-A584 HydrophobicContact CG1-CB 3.94Å; Q580-A584 WeakPolarHBondContact O-CB 3.24Å; Q580-A584 PolarHBondContact O-N 2.69Å; P581-A584 WeakPolarHBondContact O-CB 3.37Å; P581-A584 PolarHBondContact O-N 3.29Å; Y582-A584 PolarHBondContact O-N 3.3Å; A584-A587 PolarHBondContact O-N 2.77Å; A584-A588 WeakPolarHBondContact O-CB 3.44Å; A584-A588 PolarHBondContact O-N 2.86Å
585L97.8Very high94.3Very high0 Ų020.5 Ų20.50%012%0.116CC..Hα-helixtrans-69.9-37.7178.4-165.165.7000112.7A272 M276 L454 A457 L458 L461 F470 P581 Y582 A583 A588 S589A272-L585 HydrophobicContact CB-CB 4.25Å; A272-L585 HydrophobicContact CB-CD1 3.85Å; M276-L585 HydrophobicContact CE-CD1 3.64Å; L454-L585 HydrophobicContact CD1-CB 3.97Å; L454-L585 HydrophobicContact CD1-CD2 3.72Å; L454-L585 HydrophobicContact CD1-CG 3.59Å; A457-L585 HydrophobicContact CB-CD1 3.97Å; A457-L585 HydrophobicContact CB-CD2 4.16Å; A457-L585 HydrophobicContact CB-CG 4.31Å; L458-L585 HydrophobicContact CD2-CD2 3.64Å; L458-L585 HydrophobicContact CG-CD2 3.87Å; L461-L585 HydrophobicContact CD1-CD1 3.65Å; L461-L585 HydrophobicContact CD1-CD2 4.23Å; F470-L585 HydrophobicContact CB-CD2 4.04Å; F470-L585 HydrophobicContact CD1-CB 3.83Å; F470-L585 HydrophobicContact CD1-CD1 4.49Å; F470-L585 HydrophobicContact CD1-CD2 4.09Å; F470-L585 HydrophobicContact CD1-CG 4.37Å; F470-L585 HydrophobicContact CE1-CB 4.32Å; F470-L585 HydrophobicContact CG-CD2 4.31Å; P581-L585 PolarHBondContact O-N 2.93Å; Y582-L585 PolarHBondContact O-N 3.04Å; A583-L585 VanDerWaalsContact C-N 3.31Å; A583-L585 PolarHBondContact O-N 3.04Å; L585-A588 PolarHBondContact O-N 2.94Å; L585-S589 WeakPolarHBondContact O-CB 3.39Å; L585-S589 PolarHBondContact O-N 2.62Å; L585-S589 PolarHBondContact O-OG 2.88Å
586A98.5Very high95.4Very high0 Ų018.6 Ų18.60%011%0.109CC..Hα-helixtrans-59.8-49.3172.100000110.6I364 L454 P510 Y582 A583 A588 S589 F590I364-A586 HydrophobicContact CD1-CB 4.04Å; I364-A586 WeakPolarHBondContact CD1-O 3.33Å; I364-A586 HydrophobicContact CG1-CB 4.08Å; L454-A586 HydrophobicContact CD2-CB 4.27Å; P510-A586 HydrophobicContact CB-CB 4.3Å; P510-A586 HydrophobicContact CG-CB 3.96Å; Y582-A586 PolarHBondContact O-N 3.01Å; A583-A586 PolarHBondContact O-N 2.88Å; A586-A588 PolarHBondContact O-N 3.31Å; A586-S589 PolarHBondContact O-N 3.04Å; A586-F590 PolarHBondContact O-N 2.8Å
587A98.8Very high96.5Very high0 Ų018.3 Ų18.30%09%0.093CC..Hα-helixtrans-58.3-46.3176.300000112.6V343 I564 A583 A584 S589 F590 M591V343-A587 HydrophobicContact CG1-CB 3.96Å; I564-A587 HydrophobicContact CG2-CB 4Å; A583-A587 PolarHBondContact O-N 2.95Å; A584-A587 PolarHBondContact O-N 2.77Å; A587-S589 VanDerWaalsContact C-N 3.33Å; A587-S589 PolarHBondContact O-N 3.1Å; A587-F590 PolarHBondContact O-N 3.47Å; A587-M591 WeakPolarHBondContact O-CB 3.24Å; A587-M591 PolarHBondContact O-N 3.28Å
588A98.7Very high97.2Very high0 Ų015.4 Ų15.40%07%0.074CC..Hα-helixtrans-64.2-36.1177.300000112.6A272 V273 M276 A584 L585 A586 M591 K592A272-A588 HydrophobicContact CB-CB 3.96Å; V273-A588 HydrophobicContact CG2-CB 4.15Å; M276-A588 HydrophobicContact CE-CB 4.45Å; M276-A588 HydrophobicContact CG-CB 3.9Å; M276-A588 WeakPolarHBondContact CG-O 3.35Å; A584-A588 WeakPolarHBondContact O-CB 3.44Å; A584-A588 PolarHBondContact O-N 2.86Å; L585-A588 PolarHBondContact O-N 2.94Å; A586-A588 PolarHBondContact O-N 3.31Å; A588-M591 WeakPolarHBondContact O-CB 3.44Å; A588-M591 WeakPolarHBondContact O-CE 3.28Å; A588-M591 PolarHBondContact O-N 3.37Å; A588-K592 PolarHBondContact O-N 2.92Å
589S98.7Very high97.2Very high0 Ų014 Ų140%08%0.075CC..Hα-helixtrans-67.8-39.2177.7-58.10000111.9W450 L454 L585 A586 A587 K592 S593W450-S589 WeakPolarHBondContact O-CB 3.31Å; L454-S589 VanDerWaalsContact CA-OG 3.29Å; L454-S589 WeakPolarHBondContact CA-OG 3.36Å; L454-S589 PolarHBondContact N-OG 2.85Å; L585-S589 WeakPolarHBondContact O-CB 3.39Å; L585-S589 PolarHBondContact O-N 2.62Å; L585-S589 PolarHBondContact O-OG 2.88Å; A586-S589 PolarHBondContact O-N 3.04Å; A587-S589 VanDerWaalsContact C-N 3.33Å; A587-S589 PolarHBondContact O-N 3.1Å; S589-K592 PolarHBondContact O-N 3.1Å; S589-S593 PolarHBondContact O-N 2.86Å; S589-S593 VanDerWaalsContact O-N 3.17Å; S589-S593 PolarHBondContact O-OG 2.84Å; S589-S593 VanDerWaalsContact O-OG 3.07Å
590F98.7Very high96.7Very high0 Ų019.3 Ų19.30%010%0.103CC..Hα-helixtrans-69-41172.9-168.6-105.2000112.1I364 V366 V434 V437 L438 W450 V512 I564 A586 A587 K592 S593 I594I364-F590 HydrophobicContact CD1-CB 3.59Å; I364-F590 HydrophobicContact CD1-CG 4.25Å; I364-F590 HydrophobicContact CG2-CB 4.41Å; I364-F590 HydrophobicContact CG2-CD1 4.34Å; I364-F590 HydrophobicContact CG2-CG 4.49Å; V366-F590 HydrophobicContact CG2-CD1 3.83Å; V366-F590 HydrophobicContact CG2-CE1 3.53Å; V434-F590 HydrophobicContact CG1-CE1 4.39Å; V434-F590 HydrophobicContact CG1-CZ 4.25Å; V434-F590 HydrophobicContact CG2-CE1 4.5Å; V437-F590 HydrophobicContact CG1-CD2 4.5Å; V437-F590 HydrophobicContact CG1-CE2 3.73Å; V437-F590 HydrophobicContact CG1-CZ 4.3Å; L438-F590 HydrophobicContact CD2-CE2 4.17Å; L438-F590 HydrophobicContact CD2-CZ 4.13Å; W450-F590 HydrophobicContact CB-CB 4.19Å; W450-F590 HydrophobicContact CB-CD2 3.92Å; W450-F590 AromaticContact CD2-CD2 3.68Å; W450-F590 HydrophobicContact CD2-CD2 3.68Å; W450-F590 HydrophobicContact CD2-CE2 4.06Å; W450-F590 AromaticContact CE3-CD2 3.78Å; W450-F590 HydrophobicContact CE3-CD2 3.78Å; W450-F590 AromaticContact CE3-CE2 3.75Å; W450-F590 HydrophobicContact CE3-CE2 3.75Å; W450-F590 AromaticContact CG-CD2 3.77Å; W450-F590 HydrophobicContact CG-CD2 3.77Å; W450-F590 HydrophobicContact CZ3-CD2 4.49Å; W450-F590 HydrophobicContact CZ3-CE2 4.05Å; V512-F590 HydrophobicContact CB-CE2 4.35Å; V512-F590 HydrophobicContact CB-CZ 4.46Å; V512-F590 HydrophobicContact CG1-CE1 3.92Å; V512-F590 HydrophobicContact CG1-CE2 4.03Å; V512-F590 HydrophobicContact CG1-CZ 3.67Å; V512-F590 HydrophobicContact CG2-CD2 3.72Å; V512-F590 HydrophobicContact CG2-CE2 3.65Å; V512-F590 HydrophobicContact CG2-CG 4.3Å; V512-F590 HydrophobicContact CG2-CZ 4.17Å; I564-F590 HydrophobicContact CG2-CD1 4.33Å; A586-F590 PolarHBondContact O-N 2.8Å; A587-F590 PolarHBondContact O-N 3.47Å; F590-K592 VanDerWaalsContact C-N 3.31Å; F590-K592 PolarHBondContact O-N 2.94Å; F590-S593 WeakPolarHBondContact O-CB 3.35Å; F590-S593 PolarHBondContact O-N 2.94Å; F590-S593 VanDerWaalsContact O-N 3.08Å; F590-I594 HydrophobicContact CD1-CD1 3.72Å; F590-I594 HydrophobicContact CD1-CG1 4.32Å; F590-I594 HydrophobicContact CE1-CD1 3.6Å; F590-I594 HydrophobicContact CE1-CG1 4.05Å; F590-I594 HydrophobicContact CZ-CD1 4.48Å; F590-I594 HydrophobicContact CZ-CG1 4.49Å; F590-I594 WeakPolarHBondContact O-CG1 3.25Å; F590-I594 PolarHBondContact O-N 3.42Å
591M98.8Very high95.4Very high0 Ų021.6 Ų21.60%012%0.115CC..Hα-helixtrans-53.5-47170.6176.7-147.260.100111.5I262 V273 M276 I300 F341 V343 I564 A587 A588 S593 I594 I595I262-M591 HydrophobicContact CB-SD 4.45Å; I262-M591 HydrophobicContact CD1-CE 4.1Å; I262-M591 HydrophobicContact CD1-SD 3.59Å; I262-M591 VanDerWaalsContact CD1-SD 3.59Å; I262-M591 HydrophobicContact CG1-SD 3.88Å; I262-M591 HydrophobicContact CG2-SD 3.71Å; V273-M591 HydrophobicContact CG1-CE 4.46Å; V273-M591 HydrophobicContact CG2-SD 4.44Å; M276-M591 HydrophobicContact CB-CE 4.05Å; M276-M591 HydrophobicContact CG-CE 4.12Å; I300-M591 HydrophobicContact CD1-CE 3.83Å; F341-M591 HydrophobicContact CB-CG 4.45Å; F341-M591 HydrophobicContact CD1-CG 3.73Å; F341-M591 HydrophobicContact CE1-CG 4.19Å; F341-M591 HydrophobicContact CG-CG 4.18Å; V343-M591 HydrophobicContact CG2-CB 4.12Å; V343-M591 HydrophobicContact CG2-CG 3.88Å; V343-M591 HydrophobicContact CG2-SD 3.73Å; I564-M591 HydrophobicContact CD1-CB 3.76Å; I564-M591 HydrophobicContact CD1-CG 4.29Å; A587-M591 WeakPolarHBondContact O-CB 3.24Å; A587-M591 PolarHBondContact O-N 3.28Å; A588-M591 WeakPolarHBondContact O-CB 3.44Å; A588-M591 WeakPolarHBondContact O-CE 3.28Å; A588-M591 PolarHBondContact O-N 3.37Å; M591-S593 VanDerWaalsContact C-N 3.29Å; M591-S593 PolarHBondContact O-N 3.27Å; M591-I594 PolarHBondContact O-N 2.97Å; M591-I594 VanDerWaalsContact O-N 3.16Å; M591-I595 HydrophobicContact CE-CD1 4.27Å; M591-I595 HydrophobicContact CG-CD1 3.83Å; M591-I595 HydrophobicContact CG-CG1 4.43Å; M591-I595 WeakPolarHBondContact O-CG1 3.42Å; M591-I595 PolarHBondContact O-N 2.92Å; M591-I595 HydrophobicContact SD-CD1 4.01Å
592K98.7Very high93.8Very high32 Ų3226 Ų2614%0.13914%0.144CC..Hα-helixtrans-58.7-41.8177.1-177.7166.2-172.4158.80111.4M276 E278 I300 I453 A588 S589 F590 I594 I595 L596M276-K592 HydrophobicContact CB-CB 4.24Å; M276-K592 HydrophobicContact CB-CD 3.98Å; M276-K592 HydrophobicContact CG-CB 4.2Å; M276-K592 HydrophobicContact CG-CD 4.37Å; M276-K592 PolarHBondContact O-NZ 3.39Å; M276-K592 HydrophobicContact SD-CB 4.04Å; M276-K592 HydrophobicContact SD-CD 3.78Å; E278-K592 IonicContact OE1-NZ 2.63Å; I300-K592 HydrophobicContact CG2-CD 4.43Å; I300-K592 HydrophobicContact CG2-CG 3.81Å; I453-K592 HydrophobicContact CD1-CB 4.24Å; I453-K592 HydrophobicContact CD1-CD 4.33Å; I453-K592 HydrophobicContact CD1-CG 4.03Å; I453-K592 HydrophobicContact CG2-CB 4.33Å; I453-K592 HydrophobicContact CG2-CD 3.92Å; I453-K592 HydrophobicContact CG2-CG 4.46Å; A588-K592 PolarHBondContact O-N 2.92Å; S589-K592 PolarHBondContact O-N 3.1Å; F590-K592 VanDerWaalsContact C-N 3.31Å; F590-K592 PolarHBondContact O-N 2.94Å; K592-I594 VanDerWaalsContact C-N 3.32Å; K592-I594 PolarHBondContact O-N 2.86Å; K592-I595 PolarHBondContact O-N 3.3Å; K592-L596 HydrophobicContact CG-CD1 4.14Å; K592-L596 HydrophobicContact CG-CG 4.46Å; K592-L596 VanDerWaalsContact O-CG 3.26Å; K592-L596 WeakPolarHBondContact O-CG 3.49Å; K592-L596 PolarHBondContact O-N 3.07Å
593S98.4Very high91.9Very high0 Ų030.2 Ų30.20%017%0.166CC..Hα-helixtrans-60.2-40.5176.9-540000112.2W450 I453 S589 F590 M591W450-S593 WeakPolarHBondContact CA-OG 3.42Å; W450-S593 WeakPolarHBondContact CB-OG 3.36Å; I453-S593 WeakPolarHBondContact CD1-OG 3.3Å; S589-S593 PolarHBondContact O-N 2.86Å; S589-S593 VanDerWaalsContact O-N 3.17Å; S589-S593 PolarHBondContact O-OG 2.84Å; S589-S593 VanDerWaalsContact O-OG 3.07Å; F590-S593 WeakPolarHBondContact O-CB 3.35Å; F590-S593 PolarHBondContact O-N 2.94Å; F590-S593 VanDerWaalsContact O-N 3.08Å; M591-S593 VanDerWaalsContact C-N 3.29Å; M591-S593 PolarHBondContact O-N 3.27Å
594I98.4Very high89.9Confident0 Ų036.3 Ų36.30%020%0.199CC..Hα-helixtrans-67.3-47.9176.2-62160.6000111.1F341 C433 V434 I564 F590 M591 K592 L596 Q597F341-I594 HydrophobicContact CE1-CB 4.25Å; F341-I594 HydrophobicContact CE1-CD1 4.42Å; F341-I594 HydrophobicContact CE1-CG2 3.87Å; F341-I594 HydrophobicContact CZ-CG2 3.98Å; C433-I594 HydrophobicContact CB-CG2 3.72Å; V434-I594 HydrophobicContact CG2-CD1 3.61Å; V434-I594 HydrophobicContact CG2-CG1 3.87Å; V434-I594 HydrophobicContact CG2-CG2 4.48Å; I564-I594 HydrophobicContact CD1-CD1 3.52Å; I564-I594 HydrophobicContact CG1-CD1 4.49Å; F590-I594 HydrophobicContact CD1-CD1 3.72Å; F590-I594 HydrophobicContact CD1-CG1 4.32Å; F590-I594 HydrophobicContact CE1-CD1 3.6Å; F590-I594 HydrophobicContact CE1-CG1 4.05Å; F590-I594 HydrophobicContact CZ-CD1 4.48Å; F590-I594 HydrophobicContact CZ-CG1 4.49Å; F590-I594 WeakPolarHBondContact O-CG1 3.25Å; F590-I594 PolarHBondContact O-N 3.42Å; M591-I594 PolarHBondContact O-N 2.97Å; M591-I594 VanDerWaalsContact O-N 3.16Å; K592-I594 VanDerWaalsContact C-N 3.32Å; K592-I594 PolarHBondContact O-N 2.86Å; I594-L596 PolarHBondContact O-N 3.5Å; I594-Q597 WeakPolarHBondContact O-CB 3.38Å; I594-Q597 PolarHBondContact O-N 3.38Å
595I98.5Very high87.5Confident0 Ų045.3 Ų45.30%024%0.24CC..Hα-helixtrans-60.5-37.5-177.4-69.9172.1000110.8I260 I262 I300 H303 F341 M591 K592 Q597 L598I260-I595 HydrophobicContact CD1-CG1 4.3Å; I260-I595 HydrophobicContact CD1-CG2 3.83Å; I260-I595 HydrophobicContact CG2-CD1 4.37Å; I262-I595 HydrophobicContact CD1-CD1 4.22Å; I300-I595 HydrophobicContact CB-CG2 3.88Å; I300-I595 HydrophobicContact CD1-CD1 3.8Å; I300-I595 HydrophobicContact CG2-CB 4.03Å; I300-I595 HydrophobicContact CG2-CG2 3.63Å; H303-I595 HydrophobicContact CB-CG2 4.06Å; H303-I595 PolarHBondContact CD2-O 3.27Å; H303-I595 VanDerWaalsContact CD2-O 3.23Å; H303-I595 PolarHBondContact NE2-O 3.43Å; F341-I595 HydrophobicContact CD2-CD1 4.49Å; F341-I595 HydrophobicContact CE1-CG1 4.21Å; F341-I595 HydrophobicContact CE2-CD1 4.26Å; F341-I595 HydrophobicContact CE2-CG1 3.87Å; F341-I595 HydrophobicContact CZ-CD1 4.38Å; F341-I595 HydrophobicContact CZ-CG1 3.66Å; M591-I595 HydrophobicContact CE-CD1 4.27Å; M591-I595 HydrophobicContact CG-CD1 3.83Å; M591-I595 HydrophobicContact CG-CG1 4.43Å; M591-I595 WeakPolarHBondContact O-CG1 3.42Å; M591-I595 PolarHBondContact O-N 2.92Å; M591-I595 HydrophobicContact SD-CD1 4.01Å; K592-I595 PolarHBondContact O-N 3.3Å; I595-Q597 PolarHBondContact O-N 3.06Å; I595-Q597 VanDerWaalsContact O-N 3.16Å; I595-L598 HydrophobicContact CB-CD1 4.49Å; I595-L598 HydrophobicContact CG1-CD1 4.4Å; I595-L598 HydrophobicContact CG2-CD1 4.46Å; I595-L598 WeakPolarHBondContact O-CB 3.26Å; I595-L598 PolarHBondContact O-N 3.33Å; I595-L598 VanDerWaalsContact O-N 3.08Å
596L97.4Very high84.7Confident73 Ų7355.2 Ų55.238%0.38229%0.293SS..THydrogen-bonded Turntrans-65.7-13.1176-68.1173.4000114I300 K592 I594I300-L596 HydrophobicContact CG2-CD2 4.47Å; K592-L596 HydrophobicContact CG-CD1 4.14Å; K592-L596 HydrophobicContact CG-CG 4.46Å; K592-L596 VanDerWaalsContact O-CG 3.26Å; K592-L596 WeakPolarHBondContact O-CG 3.49Å; K592-L596 PolarHBondContact O-N 3.07Å; I594-L596 PolarHBondContact O-N 3.5Å
597Q95.9Very high84.1Confident49 Ų4958 Ų5823%0.22931%0.308CS..THydrogen-bonded Turntrans-94.2-6.9174.1-62.3-50.9-64.500113.9C433 V437 I594 I595C433-Q597 HydrophobicContact CB-CB 3.96Å; V437-Q597 HydrophobicContact CG2-CG 3.74Å; I594-Q597 WeakPolarHBondContact O-CB 3.38Å; I594-Q597 PolarHBondContact O-N 3.38Å; I595-Q597 PolarHBondContact O-N 3.06Å; I595-Q597 VanDerWaalsContact O-N 3.16Å
598L96.1Very high83.3Confident11 Ų1161.1 Ų61.16%0.05832%0.324CS..SBendtrans-67.9140.6-178.2-74169.4000110.9I260 H303 F341 T429 L430 I595I260-L598 HydrophobicContact CD1-CD1 3.49Å; I260-L598 VanDerWaalsContact CD1-CD1 3.49Å; I260-L598 HydrophobicContact CG1-CD1 4.45Å; H303-L598 PolarHBondContact CE1-O 2.92Å; H303-L598 PolarHBondContact NE2-O 2.95Å; F341-L598 HydrophobicContact CE2-CD1 4.48Å; F341-L598 HydrophobicContact CZ-CD1 4.47Å; T429-L598 HydrophobicContact CG2-CD2 3.91Å; L430-L598 HydrophobicContact CD2-CD1 4.45Å; L430-L598 HydrophobicContact CD2-CD2 3.8Å; I595-L598 HydrophobicContact CB-CD1 4.49Å; I595-L598 HydrophobicContact CG1-CD1 4.4Å; I595-L598 HydrophobicContact CG2-CD1 4.46Å; I595-L598 WeakPolarHBondContact O-CB 3.26Å; I595-L598 PolarHBondContact O-N 3.33Å; I595-L598 VanDerWaalsContact O-N 3.08Å
599P90.3Very high82.4Confident76 Ų7664.4 Ų64.449%0.49434%0.342SS..PPolyproline II helixtrans-64.2143.5172.528.1-33000109.9I601P599-I601 PolarHBondContact O-N 3.25Å
600L82.9Confident81.5Confident121 Ų12168.2 Ų68.263%0.63436%0.362SS*.PPolyproline II helixtrans-68.9122.5169.3-81.4168.8000109.2P302P302-L600 HydrophobicContact CB-CD1 4.23Å; P302-L600 HydrophobicContact CB-CD2 3.54Å; P302-L600 HydrophobicContact CB-CG 4.26Å; P302-L600 HydrophobicContact CG-CD1 4.38Å; P302-L600 HydrophobicContact CG-CD2 3.72Å; P302-L600 HydrophobicContact CG-CG 4.14Å
601I69.7Low80.4Confident68 Ų6872.5 Ų72.535%0.34939%0.385SS..PPolyproline II helixtrans-95.5120.6177.3-60.5173.1000106.4P599 I603P599-I601 PolarHBondContact O-N 3.25Å; I601-I603 PolarHBondContact O-N 3.09Å
602P60.7Low79.2Confident107 Ų10777.3 Ų77.370%0.69541%0.411SS*.  trans-59.8115.2170.3-1426.7000107.4N604P602-N604 PolarHBondContact O-N 3.06Å; P602-N604 VanDerWaalsContact O-N 3.09Å
603I58.1Low77.8Confident97 Ų9780.6 Ų80.650%0.49743%0.43SS..  trans-69.8107.8166.1-56.2173.3000104I601 E605I601-I603 PolarHBondContact O-N 3.09Å; I603-E605 PolarHBondContact O-N 3.14Å
604N54.5Low76.2Confident128 Ų12886.8 Ų86.868%0.68446%0.463SS*.  trans-56.6112.4168.6-80-10.8000106.6P602 D606P602-N604 PolarHBondContact O-N 3.06Å; P602-N604 VanDerWaalsContact O-N 3.09Å; N604-D606 PolarHBondContact O-N 3.26Å
605E49.2Very low74.4Confident189 Ų18994 Ų9488%0.88350%0.502SS*.  trans-69.982.1166.2-71.1-174.4165.500107I603I603-E605 PolarHBondContact O-N 3.14Å
606D39.1Very low72.2Confident209 Ų209102.5 Ų102.5100%1.11855%0.547SS*.  trans-78.10157.3-74.5-21000110.1N604N604-D606 PolarHBondContact O-N 3.26Å

Retrieved 606 of 606 residues in 1673.6 ms (Link to these results)

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